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_B 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 2.028 124.847 122.820 -0.001 0.000 2.488 19 A HA 0.382 4.701 4.320 -0.002 0.000 0.249 19 A C 0.561 178.149 177.584 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 18.976 19.000 0.005 0.000 1.017 19 A HN 0.461 nan 8.150 nan 0.000 0.496 20 R N 2.535 123.041 120.500 0.009 0.000 2.590 20 R HA 0.274 4.612 4.340 -0.002 0.000 0.274 20 R C -1.870 174.441 176.300 0.019 0.000 1.061 20 R CA -0.870 55.234 56.100 0.007 0.000 1.081 20 R CB 0.101 30.401 30.300 -0.001 0.000 0.984 20 R HN 0.654 nan 8.270 nan 0.000 0.448 21 P HA 0.048 nan 4.420 nan 0.000 0.274 21 P C -0.370 176.970 177.300 0.067 0.000 1.256 21 P CA -0.216 62.917 63.100 0.054 0.000 0.795 21 P CB 0.931 32.673 31.700 0.069 0.000 1.038 22 A N 0.197 123.083 122.820 0.109 0.000 2.066 22 A HA -0.075 4.244 4.320 -0.002 0.000 0.218 22 A C 0.960 178.656 177.584 0.186 0.000 1.157 22 A CA 1.236 53.355 52.037 0.136 0.000 0.670 22 A CB -0.974 18.115 19.000 0.147 0.000 0.804 22 A HN 0.793 nan 8.150 nan 0.000 0.453 23 H N -2.459 116.662 119.070 0.086 0.000 2.771 23 H HA 0.418 4.973 4.556 -0.002 0.000 0.361 23 H C -2.428 172.857 175.328 -0.072 0.000 1.108 23 H CA -1.737 54.352 56.048 0.069 0.000 1.201 23 H CB 2.059 31.937 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 0.687 177.985 177.300 -0.002 0.000 1.144 24 P CA 1.220 64.181 63.100 -0.233 0.000 0.800 24 P CB 0.297 31.668 31.700 -0.548 0.000 0.772 25 L N -2.072 119.258 121.223 0.178 0.000 2.607 25 L HA 0.141 4.480 4.340 -0.002 0.000 0.228 25 L C 0.294 177.093 176.870 -0.118 0.000 1.123 25 L CA -0.195 54.522 54.840 -0.206 0.000 0.890 25 L CB -0.381 41.238 42.059 -0.734 0.000 1.103 25 L HN -0.114 nan 8.230 nan 0.000 0.468 26 D N 1.525 122.003 120.400 0.130 0.000 2.443 26 D HA 0.129 4.768 4.640 -0.002 0.000 0.239 26 D C -2.033 174.373 176.300 0.177 0.000 1.136 26 D CA -1.002 53.156 54.000 0.264 0.000 0.879 26 D CB 0.657 41.597 40.800 0.234 0.000 1.195 26 D HN -0.065 nan 8.370 nan 0.000 0.443 27 P HA 0.074 nan 4.420 nan 0.000 0.271 27 P C -0.053 177.341 177.300 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 0.638 121.953 121.223 0.154 0.000 2.490 28 L HA 0.080 4.419 4.340 -0.002 0.000 0.274 28 L C 1.189 178.120 176.870 0.103 0.000 1.201 28 L CA 0.047 54.956 54.840 0.116 0.000 0.869 28 L CB -0.056 42.072 42.059 0.116 0.000 1.123 28 L HN 0.504 nan 8.230 nan 0.000 0.484 29 S N 0.109 115.835 115.700 0.042 0.000 2.624 29 S HA 0.108 4.577 4.470 -0.002 0.000 0.263 29 S C 1.315 175.847 174.600 -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 -1.350 113.034 114.554 -0.284 0.000 2.803 30 T HA -0.110 4.239 4.350 -0.002 0.000 0.269 30 T C 1.910 176.540 174.700 -0.116 0.000 1.052 30 T CA 1.156 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 1.899 124.659 122.820 -0.100 0.000 1.898 31 A HA -0.031 4.288 4.320 -0.002 0.000 0.216 31 A C 2.325 179.883 177.584 -0.044 0.000 1.181 31 A CA 1.429 53.429 52.037 -0.062 0.000 0.620 31 A CB -0.614 18.356 19.000 -0.050 0.000 0.819 31 A HN 0.643 nan 8.150 nan 0.000 0.442 32 E N -0.258 119.923 120.200 -0.031 0.000 2.110 32 E HA -0.139 4.210 4.350 -0.002 0.000 0.193 32 E C 1.853 178.445 176.600 -0.014 0.000 0.988 32 E CA 1.119 57.513 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 1.045 121.603 120.570 -0.019 0.000 2.179 33 I HA -0.275 3.894 4.170 -0.002 0.000 0.242 33 I C 2.477 178.540 176.117 -0.089 0.000 1.088 33 I CA 1.026 62.307 61.300 -0.032 0.000 1.357 33 I CB -0.137 37.857 38.000 -0.009 0.000 1.051 33 I HN -0.018 nan 8.210 nan 0.000 0.409 34 K N 1.519 121.868 120.400 -0.085 0.000 2.097 34 K HA -0.120 4.199 4.320 -0.002 0.000 0.206 34 K C 2.009 178.555 176.600 -0.089 0.000 1.049 34 K CA 1.729 57.955 56.287 -0.101 0.000 0.933 34 K CB -0.427 32.029 32.500 -0.073 0.000 0.717 34 K HN 0.296 nan 8.250 nan 0.000 0.442 35 A N 0.338 123.124 122.820 -0.058 0.000 1.902 35 A HA -0.031 4.288 4.320 -0.002 0.000 0.217 35 A C 2.352 179.910 177.584 -0.042 0.000 1.181 35 A CA 1.967 53.981 52.037 -0.039 0.000 0.623 35 A CB -0.980 18.007 19.000 -0.021 0.000 0.818 35 A HN 0.405 nan 8.150 nan 0.000 0.443 36 A N -0.221 122.569 122.820 -0.049 0.000 1.898 36 A HA -0.087 4.232 4.320 -0.002 0.000 0.216 36 A C 2.453 179.977 177.584 -0.100 0.000 1.181 36 A CA 2.493 54.505 52.037 -0.041 0.000 0.620 36 A CB -1.371 17.627 19.000 -0.003 0.000 0.819 36 A HN 0.750 nan 8.150 nan 0.000 0.442 37 T N -1.983 112.437 114.554 -0.223 0.000 2.867 37 T HA -0.127 4.222 4.350 -0.002 0.000 0.268 37 T C 1.653 176.284 174.700 -0.115 0.000 1.057 37 T CA 1.334 63.186 62.100 -0.413 0.000 1.136 37 T CB -0.523 67.802 68.868 -0.905 0.000 0.874 37 T HN 0.364 nan 8.240 nan 0.000 0.466 38 N N 1.448 120.100 118.700 -0.080 0.000 2.120 38 N HA -0.063 4.676 4.740 -0.002 0.000 0.188 38 N C 2.083 177.610 175.510 0.028 0.000 1.024 38 N CA 1.824 54.868 53.050 -0.009 0.000 0.852 38 N CB -0.964 37.512 38.487 -0.017 0.000 1.003 38 N HN 0.504 nan 8.380 nan 0.000 0.424 39 T N 0.996 115.554 114.554 0.008 0.000 2.708 39 T HA -0.055 4.294 4.350 -0.002 0.000 0.266 39 T C 2.176 176.900 174.700 0.040 0.000 1.037 39 T CA 0.956 63.066 62.100 0.017 0.000 1.146 39 T CB -0.362 68.502 68.868 -0.007 0.000 0.865 39 T HN -0.021 nan 8.240 nan 0.000 0.435 40 V N 1.438 121.372 119.914 0.034 0.000 2.358 40 V HA -0.164 3.955 4.120 -0.002 0.000 0.246 40 V C 2.466 178.727 176.094 0.277 0.000 1.047 40 V CA 1.540 63.886 62.300 0.076 0.000 1.035 40 V CB -0.501 31.317 31.823 -0.008 0.000 0.658 40 V HN 0.462 nan 8.190 nan 0.000 0.452 41 K N 0.128 120.702 120.400 0.289 0.000 2.063 41 K HA -0.168 4.151 4.320 -0.002 0.000 0.208 41 K C 2.411 179.113 176.600 0.170 0.000 1.048 41 K CA 1.840 58.278 56.287 0.251 0.000 0.928 41 K CB -0.337 32.289 32.500 0.210 0.000 0.713 41 K HN 0.388 nan 8.250 nan 0.000 0.442 42 S N 0.310 116.081 115.700 0.118 0.000 2.368 42 S HA -0.165 4.304 4.470 -0.002 0.000 0.224 42 S C 1.720 176.340 174.600 0.033 0.000 1.029 42 S CA 1.009 59.249 58.200 0.066 0.000 0.988 42 S CB -0.366 62.864 63.200 0.050 0.000 0.838 42 S HN 0.325 nan 8.310 nan 0.000 0.462 43 Y N 1.042 121.272 120.300 -0.116 0.000 2.224 43 Y HA -0.062 4.487 4.550 -0.002 0.000 0.289 43 Y C 0.708 176.348 175.900 -0.433 0.000 1.146 43 Y CA 1.180 59.094 58.100 -0.311 0.000 1.182 43 Y CB -0.137 38.041 38.460 -0.471 0.000 0.983 43 Y HN 0.194 nan 8.280 nan 0.000 0.524 44 F N 0.595 120.573 119.950 0.046 0.000 2.925 44 F HA 0.458 4.984 4.527 -0.002 0.000 0.302 44 F C 0.841 176.618 175.800 -0.038 0.000 1.189 44 F CA -0.497 57.487 58.000 -0.027 0.000 1.346 44 F CB -0.799 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 0.180 123.027 122.820 0.043 0.000 2.567 45 A HA 0.384 4.703 4.320 -0.002 0.000 0.240 45 A C 1.579 179.182 177.584 0.031 0.000 1.053 45 A CA 0.985 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 1.549 110.370 108.800 0.035 0.000 2.199 46 G HA2 -0.197 3.762 3.960 -0.002 0.000 0.254 46 G HA3 -0.197 3.762 3.960 -0.002 0.000 0.254 46 G C 0.226 175.143 174.900 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 0.447 120.877 120.400 0.051 0.000 2.138 47 K HA 0.451 4.770 4.320 -0.002 0.000 0.263 47 K C -0.012 176.587 176.600 -0.001 0.000 0.965 47 K CA -0.834 55.472 56.287 0.032 0.000 0.868 47 K CB 1.858 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 4.448 124.831 120.400 -0.029 0.000 2.183 48 K HA 0.197 4.516 4.320 -0.002 0.000 0.272 48 K C -0.012 176.532 176.600 -0.093 0.000 1.113 48 K CA -0.247 56.015 56.287 -0.041 0.000 0.949 48 K CB -0.308 32.173 32.500 -0.032 0.000 1.365 48 K HN 0.606 nan 8.250 nan 0.000 0.420 49 I N 0.101 120.596 120.570 -0.127 0.000 2.750 49 I HA 0.573 4.742 4.170 -0.002 0.000 0.308 49 I C -0.619 175.355 176.117 -0.238 0.000 1.016 49 I CA -0.800 60.352 61.300 -0.246 0.000 1.098 49 I CB 2.178 39.936 38.000 -0.402 0.000 1.279 49 I HN 0.421 nan 8.210 nan 0.000 0.454 50 S N 2.786 118.307 115.700 -0.300 0.000 2.548 50 S HA 0.664 5.133 4.470 -0.002 0.000 0.286 50 S C -1.032 173.373 174.600 -0.325 0.000 1.098 50 S CA -0.660 57.425 58.200 -0.192 0.000 0.930 50 S CB 1.330 64.482 63.200 -0.080 0.000 1.070 50 S HN 0.496 nan 8.310 nan 0.000 0.480 51 F N 2.826 122.760 119.950 -0.026 0.000 2.404 51 F HA 0.463 4.988 4.527 -0.002 0.000 0.345 51 F C 1.752 177.544 175.800 -0.013 0.000 1.110 51 F CA -0.570 57.422 58.000 -0.015 0.000 1.130 51 F CB 1.220 40.220 39.000 -0.000 0.000 1.129 51 F HN 0.835 nan 8.300 nan 0.000 0.500 52 N N 0.975 119.744 118.700 0.114 0.000 2.499 52 N HA 0.025 4.764 4.740 -0.002 0.000 0.182 52 N C -0.359 175.215 175.510 0.106 0.000 1.034 52 N CA 0.707 53.802 53.050 0.076 0.000 0.882 52 N CB 0.636 39.143 38.487 0.032 0.000 1.125 52 N HN 0.550 nan 8.380 nan 0.000 0.436 53 T N 0.567 115.166 114.554 0.075 0.000 2.993 53 T HA 0.489 4.838 4.350 -0.002 0.000 0.312 53 T C -1.327 173.374 174.700 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 71.377 68.868 -0.292 0.000 1.116 53 T HN -0.143 nan 8.240 nan 0.000 0.464 54 V N 2.614 122.529 119.914 0.002 0.000 2.509 54 V HA 0.722 4.841 4.120 -0.002 0.000 0.289 54 V C -0.203 175.941 176.094 0.084 0.000 1.026 54 V CA -0.458 61.890 62.300 0.080 0.000 0.872 54 V CB 1.580 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 3.837 118.467 114.554 0.126 0.000 2.841 55 T HA 0.630 4.979 4.350 -0.002 0.000 0.296 55 T C -1.252 173.584 174.700 0.226 0.000 1.166 55 T CA -0.531 61.685 62.100 0.193 0.000 1.007 55 T CB 1.637 70.633 68.868 0.213 0.000 1.253 55 T HN 0.544 nan 8.240 nan 0.000 0.511 56 L N 3.048 124.394 121.223 0.206 0.000 2.499 56 L HA 0.571 4.910 4.340 -0.002 0.000 0.273 56 L C 0.198 177.158 176.870 0.151 0.000 1.195 56 L CA 0.084 55.020 54.840 0.160 0.000 0.882 56 L CB 0.388 42.525 42.059 0.131 0.000 1.133 56 L HN 0.583 nan 8.230 nan 0.000 0.483 57 R N 4.676 125.251 120.500 0.125 0.000 2.233 57 R HA 0.293 4.631 4.340 -0.002 0.000 0.334 57 R C -0.559 175.765 176.300 0.040 0.000 1.037 57 R CA -0.175 55.972 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 5.526 125.735 120.200 0.016 0.000 2.437 58 E HA 0.037 4.386 4.350 -0.002 0.000 0.263 58 E C -1.837 174.769 176.600 0.009 0.000 1.030 58 E CA -1.204 55.193 56.400 -0.004 0.000 0.934 58 E CB 0.187 29.867 29.700 -0.034 0.000 0.943 58 E HN 0.557 nan 8.360 nan 0.000 0.444 59 P HA -0.003 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 0.569 32.311 31.700 0.069 0.000 0.898 60 A N 2.518 125.385 122.820 0.079 0.000 2.555 60 A HA -0.056 4.263 4.320 -0.002 0.000 0.233 60 A C 1.854 179.506 177.584 0.114 0.000 1.060 60 A CA 0.086 52.179 52.037 0.093 0.000 0.759 60 A CB -0.368 18.675 19.000 0.072 0.000 0.995 60 A HN 0.694 nan 8.150 nan 0.000 0.506 61 R N 1.013 121.561 120.500 0.080 0.000 2.080 61 R HA -0.168 4.171 4.340 -0.002 0.000 0.236 61 R C 1.889 178.156 176.300 -0.056 0.000 1.137 61 R CA 2.251 58.291 56.100 -0.101 0.000 0.943 61 R CB -0.247 29.785 30.300 -0.447 0.000 0.846 61 R HN 0.841 nan 8.270 nan 0.000 0.431 62 K N -0.445 119.937 120.400 -0.030 0.000 2.057 62 K HA -0.101 4.218 4.320 -0.002 0.000 0.207 62 K C 2.055 178.685 176.600 0.050 0.000 1.049 62 K CA 1.344 57.627 56.287 -0.007 0.000 0.931 62 K CB -0.121 32.378 32.500 -0.000 0.000 0.714 62 K HN 0.258 nan 8.250 nan 0.000 0.440 63 A N 0.496 123.363 122.820 0.078 0.000 1.902 63 A HA -0.220 4.098 4.320 -0.002 0.000 0.217 63 A C 2.048 179.723 177.584 0.152 0.000 1.181 63 A CA 1.419 53.514 52.037 0.096 0.000 0.623 63 A CB -0.800 18.249 19.000 0.082 0.000 0.818 63 A HN 0.451 nan 8.150 nan 0.000 0.443 64 Y N 0.480 120.836 120.300 0.094 0.000 2.145 64 Y HA -0.175 4.373 4.550 -0.002 0.000 0.286 64 Y C 2.016 178.069 175.900 0.255 0.000 1.145 64 Y CA 1.857 60.067 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 3.835 4.170 -0.002 0.000 0.248 65 I C 2.306 178.409 176.117 -0.023 0.000 1.115 65 I CA 1.520 62.857 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 -0.395 119.412 119.800 0.013 0.000 2.084 66 Q HA -0.262 4.077 4.340 -0.002 0.000 0.202 66 Q C 2.020 178.010 176.000 -0.016 0.000 0.978 66 Q CA 2.011 57.813 55.803 -0.002 0.000 0.844 66 Q CB -0.286 28.468 28.738 0.027 0.000 0.898 66 Q HN 0.632 nan 8.270 nan 0.000 0.426 67 W N 1.668 122.865 121.300 -0.172 0.000 2.381 67 W HA -0.144 4.515 4.660 -0.002 0.000 0.301 67 W C 2.009 178.379 176.519 -0.250 0.000 1.205 67 W CA 1.126 58.350 57.345 -0.202 0.000 1.285 67 W CB 0.036 29.351 29.460 -0.241 0.000 1.133 67 W HN -0.160 nan 8.180 nan 0.000 0.521 68 K N 0.561 120.669 120.400 -0.487 0.000 2.155 68 K HA -0.122 4.197 4.320 -0.002 0.000 0.203 68 K C 1.028 177.359 176.600 -0.449 0.000 1.052 68 K CA 1.893 57.751 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 -1.269 118.769 120.200 -0.271 0.000 2.606 69 E HA 0.059 4.408 4.350 -0.002 0.000 0.224 69 E C 0.379 176.893 176.600 -0.143 0.000 0.930 69 E CA -0.060 56.233 56.400 -0.179 0.000 1.125 69 E CB 0.751 30.391 29.700 -0.099 0.000 1.123 69 E HN 0.192 nan 8.360 nan 0.000 0.522 70 Q N 0.276 119.992 119.800 -0.139 0.000 2.135 70 Q HA 0.235 4.574 4.340 -0.002 0.000 0.231 70 Q C 0.499 176.441 176.000 -0.097 0.000 0.817 70 Q CA 0.132 55.878 55.803 -0.094 0.000 1.073 70 Q CB 1.502 30.206 28.738 -0.057 0.000 1.176 70 Q HN 0.317 nan 8.270 nan 0.000 0.478 71 G N 0.883 109.591 108.800 -0.154 0.000 2.233 71 G HA2 -0.305 3.654 3.960 -0.002 0.000 0.270 71 G HA3 -0.305 3.654 3.960 -0.002 0.000 0.270 71 G C 0.491 175.351 174.900 -0.066 0.000 1.011 71 G CA 0.050 45.069 45.100 -0.135 0.000 0.762 71 G HN 0.522 nan 8.290 nan 0.000 0.511 72 G N 0.167 108.944 108.800 -0.039 0.000 2.667 72 G HA2 0.546 4.505 3.960 -0.002 0.000 0.250 72 G HA3 0.546 4.505 3.960 -0.002 0.000 0.250 72 G C -1.111 173.876 174.900 0.144 0.000 1.212 72 G CA -0.187 44.941 45.100 0.047 0.000 0.874 72 G HN 0.359 nan 8.290 nan 0.000 0.561 73 P HA 0.098 nan 4.420 nan 0.000 0.272 73 P C -0.286 177.129 177.300 0.192 0.000 1.223 73 P CA -0.625 62.564 63.100 0.149 0.000 0.784 73 P CB 1.075 32.818 31.700 0.073 0.000 0.923 74 L N 4.900 126.198 121.223 0.125 0.000 2.477 74 L HA 0.223 4.562 4.340 -0.002 0.000 0.272 74 L C -2.090 174.676 176.870 -0.173 0.000 1.157 74 L CA -1.444 53.287 54.840 -0.181 0.000 0.889 74 L CB -0.927 41.051 42.059 -0.133 0.000 1.158 74 L HN 0.288 nan 8.230 nan 0.000 0.473 75 P HA 0.141 nan 4.420 nan 0.000 0.267 75 P C -2.493 174.749 177.300 -0.097 0.000 1.200 75 P CA -0.683 62.345 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 -0.355 176.931 177.300 -0.023 0.000 1.204 76 P CA -0.013 63.072 63.100 -0.025 0.000 0.768 76 P CB 0.382 32.081 31.700 -0.002 0.000 0.842 77 R N 3.656 124.146 120.500 -0.018 0.000 2.248 77 R HA 0.326 4.665 4.340 -0.002 0.000 0.337 77 R C -0.860 175.454 176.300 0.023 0.000 1.085 77 R CA 0.208 56.306 56.100 -0.005 0.000 0.934 77 R CB -0.936 29.360 30.300 -0.006 0.000 1.034 77 R HN 0.441 nan 8.270 nan 0.000 0.465 78 L N 2.721 123.968 121.223 0.039 0.000 2.342 78 L HA 0.777 5.116 4.340 -0.002 0.000 0.271 78 L C -0.314 176.617 176.870 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 1.821 124.722 122.820 0.135 0.000 2.330 79 A HA 0.549 4.868 4.320 -0.002 0.000 0.313 79 A C -1.550 176.188 177.584 0.256 0.000 1.124 79 A CA -0.381 51.763 52.037 0.178 0.000 0.774 79 A CB 0.920 20.009 19.000 0.148 0.000 1.198 79 A HN 0.587 nan 8.150 nan 0.000 0.465 80 Y N 3.502 123.873 120.300 0.118 0.000 2.323 80 Y HA 0.587 5.136 4.550 -0.002 0.000 0.331 80 Y C -0.783 175.199 175.900 0.137 0.000 1.092 80 Y CA -0.847 57.297 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 3.216 123.218 120.300 -0.496 0.000 2.545 81 Y HA 0.818 5.367 4.550 -0.002 0.000 0.348 81 Y C -2.083 173.486 175.900 -0.552 0.000 1.002 81 Y CA -1.817 56.058 58.100 -0.376 0.000 1.039 81 Y CB 1.125 39.581 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 0.577 4.695 4.120 -0.002 0.000 0.303 82 V C -0.283 175.803 176.094 -0.013 0.000 1.042 82 V CA -0.724 61.489 62.300 -0.145 0.000 0.872 82 V CB 1.401 33.170 31.823 -0.090 0.000 0.998 82 V HN 0.879 nan 8.190 nan 0.000 0.423 83 I N 2.522 123.045 120.570 -0.079 0.000 3.042 83 I HA 0.723 4.892 4.170 -0.002 0.000 0.310 83 I C -1.602 174.374 176.117 -0.234 0.000 1.117 83 I CA -0.994 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 2.227 123.301 121.223 -0.249 0.000 2.342 84 L HA 0.576 4.915 4.340 -0.002 0.000 0.271 84 L C -0.497 176.238 176.870 -0.226 0.000 1.008 84 L CA -0.277 54.447 54.840 -0.193 0.000 0.818 84 L CB 1.765 43.746 42.059 -0.130 0.000 1.296 84 L HN 0.816 nan 8.230 nan 0.000 0.427 85 E N 1.118 121.207 120.200 -0.185 0.000 2.224 85 E HA 0.554 4.903 4.350 -0.002 0.000 0.265 85 E C -0.679 175.857 176.600 -0.106 0.000 0.878 85 E CA -0.739 55.559 56.400 -0.170 0.000 0.759 85 E CB 2.200 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 2.665 125.434 122.820 -0.085 0.000 2.567 86 A HA 0.348 4.667 4.320 -0.002 0.000 0.240 86 A C 1.240 178.798 177.584 -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 1.096 nan 8.150 nan 0.000 0.507 87 G N 1.571 110.350 108.800 -0.035 0.000 2.184 87 G HA2 -0.217 3.742 3.960 -0.002 0.000 0.264 87 G HA3 -0.217 3.742 3.960 -0.002 0.000 0.264 87 G C 0.217 175.102 174.900 -0.025 0.000 0.975 87 G CA 0.776 45.861 45.100 -0.025 0.000 0.642 87 G HN 0.758 nan 8.290 nan 0.000 0.536 88 K N 1.112 121.489 120.400 -0.038 0.000 2.221 88 K HA 0.512 4.831 4.320 -0.002 0.000 0.258 88 K C -2.243 174.334 176.600 -0.038 0.000 0.944 88 K CA -1.817 54.448 56.287 -0.037 0.000 0.823 88 K CB 2.413 34.880 32.500 -0.055 0.000 1.113 88 K HN 0.191 nan 8.250 nan 0.000 0.431 89 P HA 0.168 nan 4.420 nan 0.000 0.278 89 P C 0.549 177.828 177.300 -0.034 0.000 1.238 89 P CA 0.236 63.325 63.100 -0.019 0.000 0.794 89 P CB 0.848 32.547 31.700 -0.001 0.000 0.955 90 G N 1.185 109.963 108.800 -0.036 0.000 2.550 90 G HA2 -0.120 3.839 3.960 -0.002 0.000 0.277 90 G HA3 -0.120 3.839 3.960 -0.002 0.000 0.277 90 G C -0.207 174.633 174.900 -0.101 0.000 1.190 90 G CA 0.547 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 -3.874 115.958 119.914 -0.137 0.000 3.165 91 V HA 0.957 5.075 4.120 -0.002 0.000 0.309 91 V C -0.505 175.504 176.094 -0.142 0.000 1.267 91 V CA -0.544 61.656 62.300 -0.166 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 0.869 121.182 120.400 -0.145 0.000 2.427 92 K HA 0.659 4.978 4.320 -0.002 0.000 0.252 92 K C -1.185 175.358 176.600 -0.095 0.000 0.931 92 K CA -0.498 55.738 56.287 -0.084 0.000 0.793 92 K CB 2.405 34.835 32.500 -0.116 0.000 1.211 92 K HN 1.021 nan 8.250 nan 0.000 0.426 93 E N 0.802 120.930 120.200 -0.120 0.000 2.416 93 E HA 0.821 5.169 4.350 -0.002 0.000 0.273 93 E C -0.400 175.878 176.600 -0.538 0.000 0.935 93 E CA -1.251 54.921 56.400 -0.380 0.000 0.784 93 E CB 2.271 31.895 29.700 -0.127 0.000 1.301 93 E HN 0.618 nan 8.360 nan 0.000 0.454 94 G N 0.156 108.300 108.800 -1.093 0.000 2.340 94 G HA2 0.423 4.382 3.960 -0.002 0.000 0.299 94 G HA3 0.423 4.382 3.960 -0.002 0.000 0.299 94 G C -1.832 172.799 174.900 -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 5.051 4.340 -0.002 0.000 0.271 95 L C -0.616 176.385 176.870 0.218 0.000 0.993 95 L CA -1.159 53.775 54.840 0.157 0.000 0.819 95 L CB 2.333 44.459 42.059 0.113 0.000 1.294 95 L HN 0.336 nan 8.230 nan 0.000 0.414 96 V N 1.015 121.061 119.914 0.220 0.000 2.448 96 V HA 0.183 4.302 4.120 -0.002 0.000 0.295 96 V C -0.644 175.501 176.094 0.085 0.000 1.025 96 V CA -0.496 61.884 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 0.264 4.902 4.640 -0.002 0.000 0.232 97 D C 1.109 177.426 176.300 0.029 0.000 1.192 97 D CA -0.132 53.890 54.000 0.038 0.000 0.882 97 D CB 0.829 41.644 40.800 0.026 0.000 1.038 97 D HN 0.453 nan 8.370 nan 0.000 0.499 98 L N 3.277 124.519 121.223 0.031 0.000 2.127 98 L HA -0.180 4.159 4.340 -0.002 0.000 0.211 98 L C 2.384 179.262 176.870 0.013 0.000 1.089 98 L CA 1.230 56.083 54.840 0.022 0.000 0.757 98 L CB -0.452 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 0.075 122.902 122.820 0.012 0.000 1.902 99 A HA -0.196 4.123 4.320 -0.002 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 18.470 19.000 0.006 0.000 0.818 99 A HN 0.512 nan 8.150 nan 0.000 0.443 100 S N -1.229 114.478 115.700 0.011 0.000 2.577 100 S HA 0.405 4.874 4.470 -0.002 0.000 0.219 100 S C 0.492 175.100 174.600 0.012 0.000 0.962 100 S CA 0.123 58.331 58.200 0.012 0.000 0.921 100 S CB -0.559 62.649 63.200 0.013 0.000 0.789 100 S HN 0.588 nan 8.310 nan 0.000 0.497 101 L N 2.066 123.296 121.223 0.012 0.000 3.879 101 L HA -0.192 4.147 4.340 -0.002 0.000 0.481 101 L C 0.002 176.879 176.870 0.011 0.000 1.232 101 L CA 0.517 55.363 54.840 0.010 0.000 0.736 101 L CB -2.346 39.718 42.059 0.008 0.000 1.511 101 L HN 0.720 nan 8.230 nan 0.000 0.830 102 S N -2.345 113.360 115.700 0.009 0.000 2.556 102 S HA 0.717 5.185 4.470 -0.002 0.000 0.271 102 S C -0.408 174.177 174.600 -0.025 0.000 1.135 102 S CA -1.070 57.130 58.200 0.000 0.000 0.858 102 S CB 2.444 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 3.170 123.023 119.914 -0.101 0.000 2.470 103 V HA 0.218 4.337 4.120 -0.002 0.000 0.276 103 V C 1.189 177.209 176.094 -0.124 0.000 1.040 103 V CA -0.094 62.095 62.300 -0.185 0.000 1.008 103 V CB 0.104 31.539 31.823 -0.647 0.000 0.990 103 V HN 0.906 nan 8.190 nan 0.000 0.477 104 I N 1.156 121.704 120.570 -0.038 0.000 4.070 104 I HA 0.522 4.691 4.170 -0.002 0.000 0.328 104 I C 0.584 176.699 176.117 -0.003 0.000 1.298 104 I CA 0.296 61.589 61.300 -0.012 0.000 1.173 104 I CB 0.488 38.497 38.000 0.014 0.000 1.051 104 I HN 0.621 nan 8.210 nan 0.000 0.409 105 E N 0.803 121.000 120.200 -0.004 0.000 2.335 105 E HA 0.474 4.823 4.350 -0.002 0.000 0.280 105 E C -1.348 175.257 176.600 0.009 0.000 0.918 105 E CA -0.479 55.928 56.400 0.012 0.000 0.765 105 E CB 2.428 32.145 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 0.642 4.991 4.350 -0.002 0.000 0.327 106 T C -2.001 172.760 174.700 0.100 0.000 1.360 106 T CA -0.680 61.468 62.100 0.079 0.000 1.055 106 T CB 0.949 69.894 68.868 0.129 0.000 1.261 106 T HN 0.659 nan 8.240 nan 0.000 0.485 107 R N 1.822 122.384 120.500 0.102 0.000 2.634 107 R HA 0.799 5.138 4.340 -0.002 0.000 0.263 107 R C -1.669 174.676 176.300 0.075 0.000 1.060 107 R CA -1.144 55.010 56.100 0.091 0.000 0.898 107 R CB 1.003 31.340 30.300 0.063 0.000 1.253 107 R HN 0.713 nan 8.270 nan 0.000 0.461 108 A N 2.586 125.447 122.820 0.067 0.000 2.290 108 A HA 0.645 4.964 4.320 -0.002 0.000 0.310 108 A C -1.021 176.569 177.584 0.010 0.000 1.202 108 A CA -0.704 51.353 52.037 0.033 0.000 0.837 108 A CB 0.802 19.827 19.000 0.042 0.000 1.139 108 A HN 0.428 nan 8.150 nan 0.000 0.509 109 L N 2.857 124.064 121.223 -0.026 0.000 2.356 109 L HA 0.336 4.675 4.340 -0.002 0.000 0.264 109 L C 0.942 177.786 176.870 -0.045 0.000 1.029 109 L CA 0.348 55.169 54.840 -0.033 0.000 0.897 109 L CB 0.730 42.750 42.059 -0.064 0.000 1.256 109 L HN 0.906 nan 8.230 nan 0.000 0.444 110 E N 0.211 120.402 120.200 -0.016 0.000 2.358 110 E HA -0.064 4.285 4.350 -0.002 0.000 0.195 110 E C 0.610 177.212 176.600 0.003 0.000 1.010 110 E CA 1.091 57.485 56.400 -0.010 0.000 0.856 110 E CB 0.307 30.009 29.700 0.004 0.000 0.795 110 E HN 0.645 nan 8.360 nan 0.000 0.504 111 T N -1.536 113.026 114.554 0.013 0.000 3.269 111 T HA 0.399 4.747 4.350 -0.002 0.000 0.269 111 T C -0.146 174.586 174.700 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 0.381 120.304 119.914 0.015 0.000 3.102 112 V HA 0.666 4.785 4.120 -0.002 0.000 0.312 112 V C -1.779 174.313 176.094 -0.004 0.000 1.135 112 V CA -0.801 61.512 62.300 0.023 0.000 1.022 112 V CB 2.467 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 3.795 123.618 119.800 0.039 0.000 2.356 113 Q HA 0.549 4.888 4.340 -0.002 0.000 0.270 113 Q C -2.723 173.311 176.000 0.057 0.000 1.058 113 Q CA -1.862 53.958 55.803 0.028 0.000 0.802 113 Q CB 2.540 31.317 28.738 0.065 0.000 1.303 113 Q HN 0.544 nan 8.270 nan 0.000 0.444 114 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 -0.717 62.465 63.100 0.137 0.000 0.811 114 P CB 1.308 33.058 31.700 0.082 0.000 1.154 115 I N 0.228 120.893 120.570 0.158 0.000 2.880 115 I HA -0.086 4.082 4.170 -0.002 0.000 0.296 115 I C -0.042 176.150 176.117 0.125 0.000 1.220 115 I CA 0.060 61.432 61.300 0.120 0.000 1.435 115 I CB 0.070 38.196 38.000 0.209 0.000 1.339 115 I HN 0.134 nan 8.210 nan 0.000 0.583 116 L N 7.607 128.895 121.223 0.109 0.000 2.260 116 L HA 0.249 4.587 4.340 -0.002 0.000 0.289 116 L C 0.607 177.554 176.870 0.128 0.000 1.057 116 L CA -0.471 54.449 54.840 0.133 0.000 0.811 116 L CB 0.939 43.118 42.059 0.200 0.000 1.184 116 L HN 0.676 nan 8.230 nan 0.000 0.429 117 T N -0.813 113.737 114.554 -0.007 0.000 2.816 117 T HA 0.181 4.530 4.350 -0.002 0.000 0.282 117 T C 1.516 176.139 174.700 -0.128 0.000 0.993 117 T CA -0.354 61.615 62.100 -0.218 0.000 0.994 117 T CB 1.446 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 -0.672 119.130 119.914 -0.187 0.000 2.392 118 V HA -0.132 3.986 4.120 -0.002 0.000 0.249 118 V C 2.277 178.345 176.094 -0.044 0.000 1.059 118 V CA 1.822 64.076 62.300 -0.077 0.000 1.051 118 V CB -1.304 30.488 31.823 -0.053 0.000 0.658 118 V HN 0.933 nan 8.190 nan 0.000 0.455 119 E N 0.305 120.467 120.200 -0.063 0.000 2.106 119 E HA -0.177 4.172 4.350 -0.002 0.000 0.192 119 E C 2.010 178.602 176.600 -0.012 0.000 0.984 119 E CA 1.378 57.762 56.400 -0.027 0.000 0.806 119 E CB -0.222 29.462 29.700 -0.027 0.000 0.750 119 E HN 0.657 nan 8.360 nan 0.000 0.458 120 D N 0.608 120.997 120.400 -0.017 0.000 2.144 120 D HA -0.118 4.520 4.640 -0.002 0.000 0.199 120 D C 2.003 178.319 176.300 0.027 0.000 0.984 120 D CA 0.901 54.906 54.000 0.007 0.000 0.834 120 D CB -0.013 40.797 40.800 0.016 0.000 0.955 120 D HN 0.182 nan 8.370 nan 0.000 0.465 121 L N -0.102 121.139 121.223 0.030 0.000 2.162 121 L HA -0.029 4.309 4.340 -0.002 0.000 0.205 121 L C 2.464 179.359 176.870 0.041 0.000 1.086 121 L CA 0.340 55.208 54.840 0.047 0.000 0.778 121 L CB -0.176 41.905 42.059 0.036 0.000 0.928 121 L HN 0.045 nan 8.230 nan 0.000 0.446 122 C N -0.032 119.284 119.300 0.028 0.000 2.419 122 C HA -0.115 4.344 4.460 -0.002 0.000 0.283 122 C C 3.013 178.021 174.990 0.031 0.000 1.373 122 C CA 1.288 60.325 59.018 0.032 0.000 1.781 122 C CB -0.989 26.766 27.740 0.025 0.000 1.886 122 C HN 0.667 nan 8.230 nan 0.000 0.520 123 S N -0.915 114.801 115.700 0.026 0.000 2.524 123 S HA -0.066 4.403 4.470 -0.002 0.000 0.216 123 S C 1.399 176.013 174.600 0.025 0.000 0.987 123 S CA 1.104 59.317 58.200 0.021 0.000 0.909 123 S CB -0.638 62.571 63.200 0.014 0.000 0.781 123 S HN 0.561 nan 8.310 nan 0.000 0.521 124 T N 2.562 117.138 114.554 0.037 0.000 2.720 124 T HA -0.110 4.239 4.350 -0.002 0.000 0.268 124 T C 1.628 176.355 174.700 0.044 0.000 1.037 124 T CA 1.738 63.865 62.100 0.045 0.000 1.144 124 T CB -0.365 68.543 68.868 0.067 0.000 0.864 124 T HN 0.661 nan 8.240 nan 0.000 0.444 125 E N 0.487 120.714 120.200 0.046 0.000 2.085 125 E HA -0.205 4.144 4.350 -0.002 0.000 0.194 125 E C 2.209 178.811 176.600 0.003 0.000 0.994 125 E CA 1.155 57.574 56.400 0.032 0.000 0.801 125 E CB -0.000 29.716 29.700 0.027 0.000 0.743 125 E HN 0.280 nan 8.360 nan 0.000 0.453 126 E N -0.212 119.988 120.200 -0.000 0.000 2.152 126 E HA -0.132 4.216 4.350 -0.002 0.000 0.192 126 E C 2.063 178.665 176.600 0.003 0.000 0.983 126 E CA 1.113 57.509 56.400 -0.007 0.000 0.818 126 E CB 0.016 29.712 29.700 -0.006 0.000 0.758 126 E HN 0.328 nan 8.360 nan 0.000 0.467 127 V N -0.001 119.920 119.914 0.011 0.000 2.427 127 V HA -0.188 3.931 4.120 -0.002 0.000 0.248 127 V C 2.215 178.321 176.094 0.020 0.000 1.051 127 V CA 1.705 64.013 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 -1.288 119.301 120.570 0.032 0.000 2.439 128 I HA -0.038 4.131 4.170 -0.002 0.000 0.251 128 I C 2.721 178.866 176.117 0.047 0.000 1.139 128 I CA 1.280 62.610 61.300 0.051 0.000 1.438 128 I CB -0.602 37.445 38.000 0.078 0.000 1.085 128 I HN 0.088 nan 8.210 nan 0.000 0.427 129 R N 1.113 121.630 120.500 0.027 0.000 2.120 129 R HA -0.128 4.211 4.340 -0.002 0.000 0.234 129 R C 1.607 177.918 176.300 0.019 0.000 1.123 129 R CA 1.739 57.851 56.100 0.020 0.000 0.975 129 R CB -0.440 29.855 30.300 -0.009 0.000 0.866 129 R HN 0.448 nan 8.270 nan 0.000 0.446 130 N N 0.686 119.394 118.700 0.013 0.000 2.280 130 N HA -0.061 4.678 4.740 -0.002 0.000 0.192 130 N C -0.929 174.584 175.510 0.005 0.000 1.109 130 N CA -0.006 53.049 53.050 0.008 0.000 0.855 130 N CB 0.314 38.803 38.487 0.004 0.000 0.974 130 N HN 0.028 nan 8.380 nan 0.000 0.482 131 D N -0.475 119.930 120.400 0.008 0.000 2.295 131 D HA 0.198 4.837 4.640 -0.002 0.000 0.248 131 D C -1.653 174.640 176.300 -0.012 0.000 1.154 131 D CA -2.184 51.816 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 1.557 64.638 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 4.150 4.320 -0.002 0.000 0.217 133 A C 2.349 179.845 177.584 -0.147 0.000 1.181 133 A CA 1.896 53.870 52.037 -0.105 0.000 0.623 133 A CB -1.706 17.231 19.000 -0.105 0.000 0.818 133 A HN 0.041 nan 8.150 nan 0.000 0.443 134 V N 0.223 120.079 119.914 -0.096 0.000 2.307 134 V HA -0.249 3.870 4.120 -0.002 0.000 0.245 134 V C 2.419 178.449 176.094 -0.107 0.000 1.045 134 V CA 1.922 64.167 62.300 -0.091 0.000 1.024 134 V CB -0.673 31.186 31.823 0.059 0.000 0.651 134 V HN 0.578 nan 8.190 nan 0.000 0.449 135 I N 0.188 120.727 120.570 -0.051 0.000 2.208 135 I HA -0.315 3.853 4.170 -0.002 0.000 0.245 135 I C 2.599 178.669 176.117 -0.078 0.000 1.097 135 I CA 2.174 63.454 61.300 -0.034 0.000 1.363 135 I CB -0.407 37.582 38.000 -0.017 0.000 1.051 135 I HN 0.448 nan 8.210 nan 0.000 0.413 136 E N 0.606 120.738 120.200 -0.112 0.000 2.110 136 E HA -0.264 4.084 4.350 -0.002 0.000 0.193 136 E C 2.198 178.683 176.600 -0.193 0.000 0.988 136 E CA 1.117 57.440 56.400 -0.127 0.000 0.804 136 E CB 0.116 29.741 29.700 -0.124 0.000 0.745 136 E HN 0.417 nan 8.360 nan 0.000 0.458 137 Q N -0.051 119.547 119.800 -0.338 0.000 2.167 137 Q HA -0.120 4.219 4.340 -0.002 0.000 0.202 137 Q C 2.371 178.147 176.000 -0.375 0.000 0.970 137 Q CA 1.115 56.578 55.803 -0.567 0.000 0.855 137 Q CB -0.533 27.421 28.738 -1.308 0.000 0.911 137 Q HN 0.447 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 4.412 4.460 -0.002 0.000 0.277 138 C C 2.853 177.837 174.990 -0.011 0.000 1.275 138 C CA 0.320 59.361 59.018 0.039 0.000 1.727 138 C CB -0.915 26.884 27.740 0.098 0.000 2.010 138 C HN 0.245 nan 8.230 nan 0.000 0.486 139 V N 0.678 120.566 119.914 -0.044 0.000 2.295 139 V HA -0.201 3.918 4.120 -0.002 0.000 0.246 139 V C 2.399 178.464 176.094 -0.047 0.000 1.049 139 V CA 1.677 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 0.156 121.336 121.223 -0.071 0.000 2.127 140 L HA -0.103 4.235 4.340 -0.002 0.000 0.211 140 L C 2.290 179.138 176.870 -0.037 0.000 1.089 140 L CA 1.813 56.614 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 0.288 nan 8.230 nan 0.000 0.434 141 S N -0.813 114.875 115.700 -0.019 0.000 2.593 141 S HA 0.298 4.767 4.470 -0.002 0.000 0.217 141 S C 1.358 175.942 174.600 -0.027 0.000 0.966 141 S CA 0.592 58.800 58.200 0.014 0.000 0.914 141 S CB -0.004 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 1.398 110.174 108.800 -0.040 0.000 2.144 142 G HA2 -0.201 3.758 3.960 -0.002 0.000 0.218 142 G HA3 -0.201 3.758 3.960 -0.002 0.000 0.218 142 G C -0.084 174.764 174.900 -0.086 0.000 0.988 142 G CA -0.418 44.645 45.100 -0.060 0.000 0.659 142 G HN 0.494 nan 8.290 nan 0.000 0.522 143 I N 1.459 121.986 120.570 -0.071 0.000 2.382 143 I HA 0.319 4.487 4.170 -0.002 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 40.025 38.000 -0.062 0.000 1.288 143 I HN -0.179 nan 8.210 nan 0.000 0.448 144 P HA -0.019 nan 4.420 nan 0.000 0.266 144 P C 0.554 177.874 177.300 0.033 0.000 1.195 144 P CA 0.104 63.217 63.100 0.021 0.000 0.768 144 P CB 0.894 32.614 31.700 0.033 0.000 0.838 145 A N 3.892 126.725 122.820 0.023 0.000 2.024 145 A HA -0.220 4.099 4.320 -0.002 0.000 0.220 145 A C 1.541 179.153 177.584 0.047 0.000 1.164 145 A CA 1.935 53.987 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 -1.358 117.376 118.700 0.057 0.000 2.383 146 N HA 0.030 4.769 4.740 -0.002 0.000 0.192 146 N C 0.444 176.043 175.510 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 38.594 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 4.525 4.350 -0.002 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 0.876 120.521 119.600 0.075 0.000 2.358 148 M HA -0.132 4.346 4.480 -0.002 0.000 0.264 148 M C 1.960 178.251 176.300 -0.014 0.000 1.064 148 M CA 1.374 56.701 55.300 0.045 0.000 1.093 148 M CB -0.985 31.649 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 0.018 4.572 4.556 -0.002 0.000 0.278 149 H C 1.049 176.312 175.328 -0.108 0.000 1.014 149 H CA 0.752 56.748 56.048 -0.088 0.000 1.211 149 H CB -0.428 29.300 29.762 -0.055 0.000 1.365 149 H HN 0.359 nan 8.280 nan 0.000 0.594 150 K N 0.893 121.000 120.400 -0.488 0.000 2.393 150 K HA 0.192 4.511 4.320 -0.002 0.000 0.193 150 K C 0.071 176.697 176.600 0.044 0.000 1.026 150 K CA -0.063 56.065 56.287 -0.264 0.000 1.064 150 K CB 1.071 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 2.176 122.103 119.914 0.022 0.000 2.432 151 V HA 0.177 4.296 4.120 -0.002 0.000 0.275 151 V C -0.618 175.472 176.094 -0.007 0.000 1.043 151 V CA -0.407 61.985 62.300 0.153 0.000 0.925 151 V CB 0.213 32.115 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 5.337 4.550 -0.002 0.000 0.339 152 Y C 0.235 176.207 175.900 0.121 0.000 1.045 152 Y CA -1.001 57.142 58.100 0.072 0.000 1.098 152 Y CB 2.066 40.545 38.460 0.031 0.000 1.296 152 Y HN 0.851 nan 8.280 nan 0.000 0.494 153 C N -0.920 118.559 119.300 0.298 0.000 3.090 153 C HA 0.582 5.041 4.460 -0.002 0.000 0.347 153 C C -1.764 173.402 174.990 0.293 0.000 1.147 153 C CA -0.997 58.184 59.018 0.272 0.000 1.305 153 C CB 1.301 29.130 27.740 0.148 0.000 1.692 153 C HN 0.754 nan 8.230 nan 0.000 0.506 154 D N 4.768 125.397 120.400 0.382 0.000 2.313 154 D HA 0.446 5.085 4.640 -0.002 0.000 0.239 154 D C -2.210 174.355 176.300 0.442 0.000 1.142 154 D CA -1.022 53.225 54.000 0.412 0.000 0.847 154 D CB 1.831 42.986 40.800 0.590 0.000 1.082 154 D HN 0.573 nan 8.370 nan 0.000 0.480 155 P HA 0.161 nan 4.420 nan 0.000 0.282 155 P C -0.784 176.732 177.300 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 1.880 123.248 121.300 0.113 0.000 2.719 156 W HA 0.340 4.999 4.660 -0.002 0.000 0.352 156 W C 0.608 177.242 176.519 0.192 0.000 1.085 156 W CA -0.204 57.256 57.345 0.192 0.000 1.187 156 W CB 1.002 30.540 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 4.436 4.350 -0.002 0.000 0.307 157 T C 0.826 175.655 174.700 0.214 0.000 1.065 157 T CA -0.443 61.784 62.100 0.212 0.000 1.105 157 T CB 0.809 69.678 68.868 0.002 0.000 0.979 157 T HN 0.538 nan 8.240 nan 0.000 0.544 158 I N 1.353 121.996 120.570 0.122 0.000 3.176 158 I HA 0.134 4.303 4.170 -0.002 0.000 0.275 158 I C 1.717 177.869 176.117 0.059 0.000 1.298 158 I CA 1.225 62.574 61.300 0.082 0.000 1.445 158 I CB -1.042 36.984 38.000 0.043 0.000 1.075 158 I HN 1.173 nan 8.210 nan 0.000 0.482 159 G N 1.014 109.844 108.800 0.049 0.000 4.766 159 G HA2 -0.384 3.575 3.960 -0.002 0.000 0.314 159 G HA3 -0.384 3.575 3.960 -0.002 0.000 0.314 159 G C -0.049 174.955 174.900 0.173 0.000 1.427 159 G CA 0.566 45.647 45.100 -0.032 0.000 1.024 159 G HN 0.439 nan 8.290 nan 0.000 0.754 160 Y N 1.876 122.218 120.300 0.071 0.000 2.390 160 Y HA 0.571 5.119 4.550 -0.002 0.000 0.324 160 Y C -2.152 173.808 175.900 0.100 0.000 1.151 160 Y CA -0.627 57.533 58.100 0.101 0.000 1.053 160 Y CB 1.974 40.490 38.460 0.093 0.000 1.277 160 Y HN 0.473 nan 8.280 nan 0.000 0.432 161 D N 5.768 125.757 120.400 -0.686 0.000 2.542 161 D HA 0.124 4.763 4.640 -0.002 0.000 0.252 161 D C 0.639 176.502 176.300 -0.729 0.000 1.222 161 D CA -0.227 53.502 54.000 -0.453 0.000 0.895 161 D CB 1.412 42.225 40.800 0.022 0.000 1.207 161 D HN 0.848 nan 8.370 nan 0.000 0.558 162 E N 3.636 123.443 120.200 -0.654 0.000 2.396 162 E HA -0.197 4.152 4.350 -0.002 0.000 0.200 162 E C 0.798 177.187 176.600 -0.353 0.000 1.023 162 E CA 0.656 56.826 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 4.377 4.340 -0.002 0.000 0.208 163 R C 1.178 176.872 176.300 -1.010 0.000 1.036 163 R CA 1.113 56.677 56.100 -0.893 0.000 1.001 163 R CB 0.082 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 -0.897 120.302 121.300 -0.169 0.000 2.520 164 W HA 0.301 4.960 4.660 -0.002 0.000 0.272 164 W C 0.995 177.472 176.519 -0.069 0.000 0.984 164 W CA 0.431 57.713 57.345 -0.106 0.000 1.314 164 W CB -0.085 29.318 29.460 -0.095 0.000 0.945 164 W HN 0.202 nan 8.180 nan 0.000 0.596 165 G N 2.179 111.013 108.800 0.057 0.000 2.634 165 G HA2 -0.432 3.526 3.960 -0.002 0.000 0.309 165 G HA3 -0.432 3.526 3.960 -0.002 0.000 0.309 165 G C 0.813 175.838 174.900 0.209 0.000 1.265 165 G CA 2.332 47.532 45.100 0.168 0.000 0.998 165 G HN 0.154 nan 8.290 nan 0.000 0.551 166 T N -1.649 113.027 114.554 0.205 0.000 3.092 166 T HA 0.482 4.830 4.350 -0.002 0.000 0.258 166 T C 2.168 176.939 174.700 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 1.741 110.620 108.800 0.131 0.000 2.462 167 G HA2 -0.030 3.929 3.960 -0.002 0.000 0.220 167 G HA3 -0.030 3.929 3.960 -0.002 0.000 0.220 167 G C 0.465 175.415 174.900 0.083 0.000 1.121 167 G CA 0.295 45.460 45.100 0.109 0.000 0.758 167 G HN 0.505 nan 8.290 nan 0.000 0.559 168 K N -0.656 119.790 120.400 0.076 0.000 2.464 168 K HA 0.351 4.670 4.320 -0.002 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 3.022 123.509 120.500 -0.022 0.000 2.296 169 R HA 0.210 4.549 4.340 -0.002 0.000 0.323 169 R C -0.977 175.296 176.300 -0.045 0.000 1.067 169 R CA -0.285 55.806 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 2.940 124.140 121.223 -0.039 0.000 2.323 170 L HA 0.491 4.830 4.340 -0.002 0.000 0.265 170 L C -0.380 176.485 176.870 -0.009 0.000 1.012 170 L CA -0.618 54.177 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 0.619 120.414 119.800 -0.008 0.000 2.421 171 Q HA 0.592 4.931 4.340 -0.002 0.000 0.280 171 Q C -1.473 174.555 176.000 0.047 0.000 1.085 171 Q CA -0.834 55.007 55.803 0.064 0.000 0.807 171 Q CB 3.314 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 -0.070 119.791 119.800 0.101 0.000 2.345 172 Q HA 0.858 5.197 4.340 -0.002 0.000 0.268 172 Q C -1.538 174.509 176.000 0.078 0.000 1.054 172 Q CA -1.075 54.758 55.803 0.051 0.000 0.835 172 Q CB 2.084 30.824 28.738 0.004 0.000 1.339 172 Q HN 0.521 nan 8.270 nan 0.000 0.447 173 A N 3.619 126.456 122.820 0.029 0.000 2.291 173 A HA 0.497 4.816 4.320 -0.002 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 0.676 19.713 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 4.598 4.340 -0.002 0.000 0.287 174 L C -0.375 176.391 176.870 -0.174 0.000 1.073 174 L CA -0.523 54.200 54.840 -0.194 0.000 0.822 174 L CB 0.841 42.799 42.059 -0.168 0.000 1.186 174 L HN 0.432 nan 8.230 nan 0.000 0.436 175 V N 4.295 123.970 119.914 -0.397 0.000 2.546 175 V HA 0.294 4.413 4.120 -0.002 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 -0.371 0.000 0.981 175 V CB 0.839 32.358 31.823 -0.506 0.000 0.990 175 V HN 0.428 nan 8.190 nan 0.000 0.474 176 Y N 2.755 123.061 120.300 0.010 0.000 2.665 176 Y HA 0.655 5.203 4.550 -0.002 0.000 0.336 176 Y C -0.782 175.239 175.900 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 0.980 121.441 120.300 0.268 0.000 2.457 177 Y HA 0.662 5.211 4.550 -0.002 0.000 0.343 177 Y C -1.304 174.738 175.900 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 3.373 123.517 120.500 -0.592 0.000 2.439 178 R HA 0.288 4.627 4.340 -0.002 0.000 0.310 178 R C 0.568 176.220 176.300 -1.080 0.000 0.955 178 R CA -0.032 55.611 56.100 -0.762 0.000 0.853 178 R CB 1.773 31.674 30.300 -0.664 0.000 1.171 178 R HN 0.904 nan 8.270 nan 0.000 0.449 179 S N 0.519 115.589 115.700 -1.050 0.000 2.428 179 S HA -0.089 4.380 4.470 -0.002 0.000 0.230 179 S C 0.462 174.825 174.600 -0.396 0.000 1.014 179 S CA 0.684 58.542 58.200 -0.570 0.000 0.957 179 S CB 0.025 63.081 63.200 -0.240 0.000 0.784 179 S HN 0.662 nan 8.310 nan 0.000 0.499 180 D N 0.167 120.287 120.400 -0.467 0.000 2.857 180 D HA 0.231 4.870 4.640 -0.002 0.000 0.227 180 D C 0.689 176.808 176.300 -0.303 0.000 1.192 180 D CA -0.550 53.281 54.000 -0.282 0.000 0.857 180 D CB 1.565 42.234 40.800 -0.217 0.000 1.645 180 D HN 0.164 nan 8.370 nan 0.000 0.482 181 E N 1.473 121.569 120.200 -0.173 0.000 2.267 181 E HA -0.218 4.131 4.350 -0.002 0.000 0.197 181 E C 0.085 176.550 176.600 -0.226 0.000 0.998 181 E CA 1.042 57.352 56.400 -0.151 0.000 0.830 181 E CB 0.035 29.719 29.700 -0.026 0.000 0.751 181 E HN 0.370 nan 8.360 nan 0.000 0.491 182 D N 1.117 121.383 120.400 -0.224 0.000 2.339 182 D HA 0.036 4.675 4.640 -0.002 0.000 0.217 182 D C -0.194 175.949 176.300 -0.262 0.000 1.050 182 D CA 0.185 54.041 54.000 -0.239 0.000 0.856 182 D CB -0.047 40.628 40.800 -0.209 0.000 0.922 182 D HN 0.160 nan 8.370 nan 0.000 0.518 183 D N 0.174 120.353 120.400 -0.367 0.000 2.361 183 D HA 0.004 4.643 4.640 -0.002 0.000 0.239 183 D C 0.167 176.231 176.300 -0.394 0.000 1.200 183 D CA 0.308 54.022 54.000 -0.477 0.000 0.915 183 D CB 0.861 41.224 40.800 -0.727 0.000 1.170 183 D HN -0.204 nan 8.370 nan 0.000 0.444 184 S N 0.115 115.613 115.700 -0.338 0.000 2.410 184 S HA 0.047 4.516 4.470 -0.002 0.000 0.304 184 S C 1.197 175.746 174.600 -0.084 0.000 1.095 184 S CA -0.681 57.412 58.200 -0.179 0.000 1.089 184 S CB 0.496 63.624 63.200 -0.121 0.000 0.968 184 S HN 0.362 nan 8.310 nan 0.000 0.480 185 Q N 4.136 123.770 119.800 -0.277 0.000 2.291 185 Q HA -0.166 4.173 4.340 -0.002 0.000 0.206 185 Q C 0.403 176.287 176.000 -0.193 0.000 0.976 185 Q CA 1.579 57.226 55.803 -0.259 0.000 0.875 185 Q CB -0.593 27.838 28.738 -0.512 0.000 0.927 185 Q HN 0.885 nan 8.270 nan 0.000 0.450 186 Y N 2.127 122.415 120.300 -0.019 0.000 2.569 186 Y HA -0.118 4.431 4.550 -0.002 0.000 0.293 186 Y C 2.514 178.636 175.900 0.370 0.000 1.144 186 Y CA 1.214 59.364 58.100 0.083 0.000 1.321 186 Y CB -0.107 38.393 38.460 0.067 0.000 0.982 186 Y HN 0.366 nan 8.280 nan 0.000 0.558 187 S N -1.881 114.083 115.700 0.441 0.000 2.558 187 S HA -0.013 4.455 4.470 -0.002 0.000 0.217 187 S C 0.135 174.809 174.600 0.123 0.000 0.975 187 S CA 0.225 58.648 58.200 0.372 0.000 0.912 187 S CB -0.350 62.976 63.200 0.210 0.000 0.776 187 S HN 0.440 nan 8.310 nan 0.000 0.526 188 H N 2.256 121.396 119.070 0.117 0.000 2.336 188 H HA 0.462 5.017 4.556 -0.002 0.000 0.230 188 H C -2.809 172.625 175.328 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 30.562 29.762 0.058 0.000 1.555 188 H HN 0.356 nan 8.280 nan 0.000 0.512 189 P HA 0.130 nan 4.420 nan 0.000 0.276 189 P C -0.111 177.033 177.300 -0.260 0.000 1.244 189 P CA -0.352 62.617 63.100 -0.218 0.000 0.801 189 P CB 2.056 33.585 31.700 -0.284 0.000 1.006 190 L N 1.281 122.276 121.223 -0.380 0.000 2.376 190 L HA 0.273 4.612 4.340 -0.002 0.000 0.267 190 L C 1.633 178.295 176.870 -0.348 0.000 1.035 190 L CA -0.490 54.160 54.840 -0.316 0.000 0.800 190 L CB 0.784 42.603 42.059 -0.400 0.000 1.290 190 L HN 0.374 nan 8.230 nan 0.000 0.462 191 D N -0.765 119.544 120.400 -0.151 0.000 2.349 191 D HA -0.023 4.615 4.640 -0.002 0.000 0.215 191 D C 0.079 176.516 176.300 0.229 0.000 1.016 191 D CA 0.188 54.203 54.000 0.025 0.000 0.870 191 D CB -0.076 40.775 40.800 0.085 0.000 0.917 191 D HN 0.220 nan 8.370 nan 0.000 0.524 192 F N -0.676 119.321 119.950 0.079 0.000 2.497 192 F HA 0.620 5.146 4.527 -0.002 0.000 0.331 192 F C -0.544 175.279 175.800 0.038 0.000 1.060 192 F CA -2.277 55.762 58.000 0.065 0.000 0.989 192 F CB 1.117 40.132 39.000 0.024 0.000 1.245 192 F HN -0.129 nan 8.300 nan 0.000 0.486 193 C N 3.781 123.182 119.300 0.168 0.000 2.455 193 C HA 0.620 5.079 4.460 -0.002 0.000 0.321 193 C C -2.832 172.248 174.990 0.150 0.000 1.102 193 C CA -2.052 56.993 59.018 0.045 0.000 1.413 193 C CB 0.224 27.938 27.740 -0.044 0.000 1.952 193 C HN 0.665 nan 8.230 nan 0.000 0.428 194 P HA 0.319 nan 4.420 nan 0.000 0.275 194 P C -0.663 176.690 177.300 0.089 0.000 1.227 194 P CA -0.087 63.104 63.100 0.151 0.000 0.781 194 P CB 0.470 32.262 31.700 0.154 0.000 0.906 195 I N 3.640 124.259 120.570 0.083 0.000 2.339 195 I HA 0.256 4.425 4.170 -0.002 0.000 0.290 195 I C -0.113 175.962 176.117 -0.069 0.000 0.994 195 I CA -0.625 60.665 61.300 -0.017 0.000 1.191 195 I CB 1.283 39.232 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 4.384 4.120 -0.002 0.000 0.295 196 V C 0.108 176.139 176.094 -0.105 0.000 1.029 196 V CA -0.811 61.449 62.300 -0.066 0.000 0.874 196 V CB 2.198 34.014 31.823 -0.010 0.000 0.985 196 V HN 0.619 nan 8.190 nan 0.000 0.438 197 D N 3.276 123.611 120.400 -0.109 0.000 2.352 197 D HA 0.090 4.729 4.640 -0.002 0.000 0.245 197 D C 1.229 177.495 176.300 -0.057 0.000 1.224 197 D CA 0.114 54.049 54.000 -0.109 0.000 0.879 197 D CB 1.677 42.417 40.800 -0.101 0.000 1.057 197 D HN 0.620 nan 8.370 nan 0.000 0.491 198 T N 3.169 117.697 114.554 -0.044 0.000 2.720 198 T HA -0.211 4.137 4.350 -0.002 0.000 0.268 198 T C 1.546 176.234 174.700 -0.019 0.000 1.037 198 T CA 1.334 63.423 62.100 -0.019 0.000 1.144 198 T CB 0.104 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 0.581 120.765 120.200 -0.027 0.000 2.028 199 E HA -0.133 4.216 4.350 -0.002 0.000 0.190 199 E C 1.981 178.568 176.600 -0.022 0.000 0.984 199 E CA 0.814 57.199 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 0.773 120.958 120.200 -0.026 0.000 2.478 200 E HA -0.065 4.284 4.350 -0.002 0.000 0.198 200 E C -0.125 176.465 176.600 -0.017 0.000 1.046 200 E CA 0.287 56.674 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 1.068 121.458 120.400 -0.018 0.000 3.689 201 K HA -0.231 4.088 4.320 -0.002 0.000 0.276 201 K C -0.276 176.318 176.600 -0.010 0.000 0.932 201 K CA 0.796 57.077 56.287 -0.011 0.000 0.758 201 K CB -1.527 30.970 32.500 -0.006 0.000 1.500 201 K HN 0.312 nan 8.250 nan 0.000 0.448 202 K N -2.512 117.877 120.400 -0.017 0.000 2.551 202 K HA 0.471 4.790 4.320 -0.002 0.000 0.269 202 K C -0.615 175.973 176.600 -0.021 0.000 0.949 202 K CA -1.225 55.054 56.287 -0.014 0.000 0.849 202 K CB 1.549 34.042 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 0.101 4.220 4.120 -0.002 0.000 0.273 203 V C 1.217 177.309 176.094 -0.002 0.000 1.045 203 V CA -0.231 62.066 62.300 -0.004 0.000 0.976 203 V CB 0.289 32.119 31.823 0.011 0.000 0.993 203 V HN 0.843 nan 8.190 nan 0.000 0.475 204 I N 1.582 122.144 120.570 -0.013 0.000 3.941 204 I HA 0.523 4.692 4.170 -0.002 0.000 0.321 204 I C 0.147 176.386 176.117 0.204 0.000 1.284 204 I CA 0.507 61.826 61.300 0.031 0.000 1.226 204 I CB 0.375 38.325 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 5.131 4.527 -0.002 0.000 0.313 205 F C -1.980 173.866 175.800 0.078 0.000 1.146 205 F CA -0.965 57.083 58.000 0.080 0.000 0.934 205 F CB 1.631 40.768 39.000 0.228 0.000 1.283 205 F HN -0.239 nan 8.300 nan 0.000 0.443 206 I N 3.645 124.066 120.570 -0.248 0.000 2.478 206 I HA 0.281 4.450 4.170 -0.002 0.000 0.287 206 I C -1.395 174.760 176.117 0.063 0.000 1.042 206 I CA -0.808 60.493 61.300 0.000 0.000 1.067 206 I CB 1.851 39.807 38.000 -0.073 0.000 1.233 206 I HN 0.352 nan 8.210 nan 0.000 0.431 207 D N 7.662 128.257 120.400 0.324 0.000 2.317 207 D HA 0.434 5.073 4.640 -0.002 0.000 0.252 207 D C -0.279 176.173 176.300 0.254 0.000 1.174 207 D CA 0.299 54.528 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 4.611 125.299 120.570 0.196 0.000 2.389 208 I HA 0.218 4.387 4.170 -0.002 0.000 0.288 208 I C -1.856 174.351 176.117 0.150 0.000 0.999 208 I CA -1.870 59.523 61.300 0.155 0.000 1.129 208 I CB 2.055 40.083 38.000 0.047 0.000 1.288 208 I HN 0.089 nan 8.210 nan 0.000 0.444 209 P HA 0.186 nan 4.420 nan 0.000 0.272 209 P C -0.226 177.134 177.300 0.101 0.000 1.230 209 P CA -0.323 62.865 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 0.841 119.590 118.700 0.081 0.000 2.216 210 N HA -0.063 4.676 4.740 -0.002 0.000 0.183 210 N C 0.554 176.099 175.510 0.059 0.000 1.017 210 N CA 0.931 54.013 53.050 0.054 0.000 0.861 210 N CB -0.026 38.485 38.487 0.040 0.000 0.986 210 N HN 0.414 nan 8.380 nan 0.000 0.428 211 R N 1.746 122.295 120.500 0.081 0.000 2.210 211 R HA 0.223 4.561 4.340 -0.002 0.000 0.338 211 R C -0.135 176.215 176.300 0.084 0.000 1.062 211 R CA -0.434 55.713 56.100 0.078 0.000 0.902 211 R CB 0.852 31.209 30.300 0.094 0.000 1.050 211 R HN -0.082 nan 8.270 nan 0.000 0.461 212 R N 2.830 123.364 120.500 0.057 0.000 2.308 212 R HA 0.271 4.610 4.340 -0.002 0.000 0.305 212 R C -0.243 176.077 176.300 0.033 0.000 1.053 212 R CA -0.676 55.456 56.100 0.052 0.000 0.957 212 R CB 1.181 31.501 30.300 0.033 0.000 1.022 212 R HN 0.407 nan 8.270 nan 0.000 0.461 213 R N 1.874 122.389 120.500 0.024 0.000 2.451 213 R HA 0.315 4.654 4.340 -0.002 0.000 0.307 213 R C -0.265 176.023 176.300 -0.019 0.000 0.965 213 R CA -0.491 55.600 56.100 -0.015 0.000 0.865 213 R CB 1.737 32.000 30.300 -0.062 0.000 1.174 213 R HN 0.317 nan 8.270 nan 0.000 0.455 214 K N 1.252 121.640 120.400 -0.020 0.000 2.168 214 K HA 0.278 4.597 4.320 -0.002 0.000 0.258 214 K C -0.044 176.529 176.600 -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 1.625 121.504 119.914 -0.059 0.000 2.843 215 V HA -0.117 4.002 4.120 -0.002 0.000 0.305 215 V C 0.817 176.888 176.094 -0.037 0.000 1.120 215 V CA 0.150 62.408 62.300 -0.070 0.000 1.254 215 V CB 0.915 32.633 31.823 -0.175 0.000 0.901 215 V HN 0.815 nan 8.190 nan 0.000 0.503 216 S N 3.139 118.824 115.700 -0.024 0.000 2.562 216 S HA 0.143 4.612 4.470 -0.002 0.000 0.281 216 S C 0.801 175.470 174.600 0.115 0.000 1.333 216 S CA -0.241 57.945 58.200 -0.023 0.000 1.052 216 S CB 0.371 63.405 63.200 -0.276 0.000 0.884 216 S HN 0.759 nan 8.310 nan 0.000 0.506 217 K N 2.104 122.525 120.400 0.035 0.000 2.358 217 K HA 0.115 4.434 4.320 -0.002 0.000 0.197 217 K C -0.101 176.515 176.600 0.026 0.000 1.025 217 K CA -0.022 56.277 56.287 0.020 0.000 1.104 217 K CB 0.076 32.522 32.500 -0.090 0.000 0.855 217 K HN 0.694 nan 8.250 nan 0.000 0.531 218 H N 1.357 120.522 119.070 0.158 0.000 2.660 218 H HA 0.099 4.653 4.556 -0.002 0.000 0.374 218 H C 0.073 175.608 175.328 0.346 0.000 1.291 218 H CA 0.121 56.274 56.048 0.174 0.000 1.437 218 H CB 0.561 30.360 29.762 0.063 0.000 1.509 218 H HN -0.147 nan 8.280 nan 0.000 0.614 219 K N 0.838 121.498 120.400 0.433 0.000 2.276 219 K HA 0.069 4.388 4.320 -0.002 0.000 0.259 219 K C -0.440 176.457 176.600 0.495 0.000 1.001 219 K CA -0.182 56.334 56.287 0.382 0.000 0.927 219 K CB 0.221 32.890 32.500 0.282 0.000 0.969 219 K HN 0.510 nan 8.250 nan 0.000 0.490 220 H N -0.133 119.051 119.070 0.189 0.000 2.707 220 H HA 0.172 4.727 4.556 -0.002 0.000 0.359 220 H C -0.278 175.034 175.328 -0.027 0.000 1.113 220 H CA 0.101 56.218 56.048 0.115 0.000 1.422 220 H CB 0.875 30.539 29.762 -0.164 0.000 1.443 220 H HN 0.667 nan 8.280 nan 0.000 0.591 221 A N 4.241 126.979 122.820 -0.137 0.000 2.527 221 A HA 0.203 4.521 4.320 -0.002 0.000 0.313 221 A C -0.084 177.329 177.584 -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 -0.771 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 5.363 4.740 -0.002 0.000 0.284 222 N C -0.170 175.232 175.510 -0.181 0.000 1.182 222 N CA -0.332 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 -2.310 117.655 119.950 0.025 0.000 2.856 223 F HA 0.443 4.969 4.527 -0.002 0.000 0.338 223 F C -0.312 175.531 175.800 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 2.549 122.983 120.300 0.222 0.000 2.314 224 Y HA 0.333 4.882 4.550 -0.002 0.000 0.334 224 Y C -1.040 174.881 175.900 0.036 0.000 1.266 224 Y CA -1.639 56.534 58.100 0.121 0.000 1.391 224 Y CB 0.244 38.662 38.460 -0.070 0.000 1.306 224 Y HN -0.225 nan 8.280 nan 0.000 0.558 225 P HA -0.280 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 2.811 65.952 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 -1.009 119.356 120.400 -0.059 0.000 2.103 226 K HA -0.218 4.101 4.320 -0.002 0.000 0.207 226 K C 1.768 178.322 176.600 -0.077 0.000 1.048 226 K CA 1.776 57.992 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 0.042 119.133 119.070 0.035 0.000 2.357 227 H HA 0.043 4.598 4.556 -0.002 0.000 0.301 227 H C 2.202 177.552 175.328 0.036 0.000 1.082 227 H CA 1.427 57.486 56.048 0.019 0.000 1.342 227 H CB 0.050 29.809 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 4.361 4.480 -0.002 0.000 0.262 228 M C 2.347 178.695 176.300 0.081 0.000 1.065 228 M CA 1.280 56.649 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 -0.203 120.404 120.570 0.062 0.000 2.264 229 I HA -0.298 3.871 4.170 -0.002 0.000 0.248 229 I C 2.508 178.655 176.117 0.050 0.000 1.111 229 I CA 1.348 62.674 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 1.045 121.283 120.200 0.063 0.000 2.112 230 E HA -0.234 4.115 4.350 -0.002 0.000 0.190 230 E C 2.178 178.823 176.600 0.075 0.000 0.979 230 E CA 0.834 57.274 56.400 0.066 0.000 0.814 230 E CB 0.193 29.939 29.700 0.078 0.000 0.762 230 E HN 0.322 nan 8.360 nan 0.000 0.460 231 K N 0.477 120.931 120.400 0.089 0.000 2.007 231 K HA -0.048 4.271 4.320 -0.002 0.000 0.206 231 K C 0.971 177.617 176.600 0.077 0.000 1.047 231 K CA 1.239 57.581 56.287 0.091 0.000 0.937 231 K CB 0.227 32.790 32.500 0.104 0.000 0.718 231 K HN 0.084 nan 8.250 nan 0.000 0.438 232 V N -2.916 117.039 119.914 0.069 0.000 3.096 232 V HA 0.514 4.633 4.120 -0.002 0.000 0.319 232 V C 1.338 177.460 176.094 0.048 0.000 1.103 232 V CA -0.366 61.968 62.300 0.057 0.000 1.016 232 V CB 0.873 32.728 31.823 0.054 0.000 1.090 232 V HN 0.288 nan 8.190 nan 0.000 0.449 233 G N 0.605 109.429 108.800 0.040 0.000 2.599 233 G HA2 0.212 4.171 3.960 -0.002 0.000 0.219 233 G HA3 0.212 4.171 3.960 -0.002 0.000 0.219 233 G C 0.557 175.476 174.900 0.031 0.000 1.193 233 G CA 1.938 47.058 45.100 0.033 0.000 0.778 233 G HN 1.926 nan 8.290 nan 0.000 0.589 234 A N -2.720 120.118 122.820 0.031 0.000 2.438 234 A HA 0.620 4.939 4.320 -0.002 0.000 0.301 234 A C -0.574 177.027 177.584 0.028 0.000 1.101 234 A CA -0.606 51.448 52.037 0.028 0.000 0.621 234 A CB 0.263 19.276 19.000 0.022 0.000 1.350 234 A HN 0.074 nan 8.150 nan 0.000 0.496 235 M N 0.774 120.389 119.600 0.025 0.000 2.202 235 M HA 0.340 4.819 4.480 -0.002 0.000 0.316 235 M C 0.618 176.929 176.300 0.018 0.000 1.138 235 M CA 0.172 55.486 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 0.796 121.306 120.500 0.016 0.000 2.582 236 R HA 0.355 4.694 4.340 -0.002 0.000 0.271 236 R C -2.072 174.234 176.300 0.010 0.000 1.078 236 R CA -1.402 54.706 56.100 0.012 0.000 1.127 236 R CB -0.507 29.799 30.300 0.010 0.000 1.038 236 R HN 0.388 nan 8.270 nan 0.000 0.500 237 P HA -0.054 nan 4.420 nan 0.000 0.268 237 P C -0.668 176.636 177.300 0.006 0.000 1.208 237 P CA -0.141 62.964 63.100 0.008 0.000 0.777 237 P CB 0.473 32.178 31.700 0.007 0.000 0.875 238 E N 1.414 121.618 120.200 0.006 0.000 2.465 238 E HA 0.267 4.616 4.350 -0.002 0.000 0.260 238 E C -0.399 176.204 176.600 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 4.802 4.320 -0.002 0.000 0.269 239 A C -2.070 175.515 177.584 0.003 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 -2.216 175.086 177.300 0.003 0.000 1.182 240 P CA -0.325 62.777 63.100 0.003 0.000 0.761 240 P CB -0.071 31.631 31.700 0.003 0.000 0.795 241 P HA 0.208 nan 4.420 nan 0.000 0.271 241 P C -0.699 176.604 177.300 0.005 0.000 1.218 241 P CA 0.175 63.278 63.100 0.005 0.000 0.780 241 P CB 0.940 32.643 31.700 0.006 0.000 0.901 242 I N 2.957 123.530 120.570 0.005 0.000 2.405 242 I HA 0.206 4.375 4.170 -0.002 0.000 0.280 242 I C 0.153 176.276 176.117 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 0.188 nan 8.210 nan 0.000 0.463 243 N N 6.056 124.763 118.700 0.011 0.000 2.456 243 N HA 0.440 5.179 4.740 -0.002 0.000 0.288 243 N C -0.721 174.800 175.510 0.019 0.000 1.059 243 N CA -0.371 52.688 53.050 0.014 0.000 0.946 243 N CB 2.852 41.347 38.487 0.014 0.000 1.150 243 N HN 0.161 nan 8.380 nan 0.000 0.479 244 V N 1.402 121.330 119.914 0.023 0.000 2.444 244 V HA 0.515 4.634 4.120 -0.002 0.000 0.294 244 V C 0.037 176.151 176.094 0.034 0.000 1.022 244 V CA -0.603 61.716 62.300 0.032 0.000 0.850 244 V CB 1.484 33.331 31.823 0.040 0.000 0.992 244 V HN 0.871 nan 8.190 nan 0.000 0.426 245 T N 1.757 116.331 114.554 0.034 0.000 2.903 245 T HA 0.641 4.990 4.350 -0.002 0.000 0.299 245 T C -0.832 173.889 174.700 0.035 0.000 1.093 245 T CA -0.817 61.302 62.100 0.032 0.000 1.002 245 T CB 2.288 71.171 68.868 0.024 0.000 1.127 245 T HN 0.497 nan 8.240 nan 0.000 0.488 246 Q N 1.923 121.743 119.800 0.033 0.000 2.907 246 Q HA 0.261 4.600 4.340 -0.002 0.000 0.262 246 Q C -1.706 174.304 176.000 0.016 0.000 0.997 246 Q CA -2.073 53.748 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 0.003 0.000 1.148 247 P CA 1.350 64.455 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 -0.409 119.792 120.200 0.002 0.000 2.451 248 E HA 0.360 4.709 4.350 -0.002 0.000 0.194 248 E C 0.926 177.515 176.600 -0.019 0.000 1.027 248 E CA 0.015 56.411 56.400 -0.006 0.000 0.914 248 E CB 0.136 29.835 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 -0.247 3.711 3.960 -0.002 0.000 0.215 249 G HA3 -0.247 3.711 3.960 -0.002 0.000 0.215 249 G C -0.078 174.780 174.900 -0.070 0.000 1.345 249 G CA -0.478 44.590 45.100 -0.053 0.000 0.877 249 G HN 0.408 nan 8.290 nan 0.000 0.549 250 V N -2.653 117.160 119.914 -0.168 0.000 2.966 250 V HA 0.870 4.988 4.120 -0.002 0.000 0.317 250 V C 1.447 177.430 176.094 -0.185 0.000 1.070 250 V CA 0.859 63.027 62.300 -0.220 0.000 1.008 250 V CB 1.523 32.962 31.823 -0.639 0.000 1.070 250 V HN 2.299 nan 8.190 nan 0.000 0.457 251 S N 1.093 116.789 115.700 -0.007 0.000 2.524 251 S HA 0.216 4.685 4.470 -0.002 0.000 0.216 251 S C 0.464 175.171 174.600 0.177 0.000 0.987 251 S CA -0.102 58.147 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 1.515 121.616 119.950 0.252 0.000 2.375 252 F HA 0.738 5.264 4.527 -0.002 0.000 0.333 252 F C -0.156 175.680 175.800 0.060 0.000 1.104 252 F CA -1.310 56.825 58.000 0.224 0.000 1.149 252 F CB 0.774 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 4.942 125.482 120.400 0.233 0.000 2.463 253 K HA 0.480 4.799 4.320 -0.002 0.000 0.255 253 K C -1.593 175.050 176.600 0.072 0.000 0.942 253 K CA -0.686 55.655 56.287 0.089 0.000 0.814 253 K CB 1.307 33.825 32.500 0.030 0.000 1.122 253 K HN 0.927 nan 8.250 nan 0.000 0.425 254 M N 2.768 122.396 119.600 0.046 0.000 2.294 254 M HA 0.252 4.731 4.480 -0.002 0.000 0.335 254 M C -0.763 175.533 176.300 -0.005 0.000 1.079 254 M CA -0.613 54.659 55.300 -0.047 0.000 0.982 254 M CB 2.210 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 2.707 117.250 114.554 -0.018 0.000 3.060 255 T HA 0.537 4.886 4.350 -0.002 0.000 0.367 255 T C 0.584 175.302 174.700 0.031 0.000 1.229 255 T CA 0.228 62.343 62.100 0.025 0.000 1.104 255 T CB 0.823 69.713 68.868 0.037 0.000 1.083 255 T HN 1.082 nan 8.240 nan 0.000 0.524 256 G N 4.035 112.860 108.800 0.042 0.000 2.536 256 G HA2 -0.296 3.662 3.960 -0.002 0.000 0.277 256 G HA3 -0.296 3.662 3.960 -0.002 0.000 0.277 256 G C 0.672 175.555 174.900 -0.027 0.000 1.155 256 G CA -0.028 45.099 45.100 0.045 0.000 0.960 256 G HN 0.540 nan 8.290 nan 0.000 0.544 257 N N 0.525 119.171 118.700 -0.091 0.000 2.236 257 N HA 0.217 4.955 4.740 -0.002 0.000 0.196 257 N C 0.450 175.722 175.510 -0.396 0.000 1.114 257 N CA 0.614 53.489 53.050 -0.293 0.000 0.859 257 N CB 1.042 39.231 38.487 -0.496 0.000 0.982 257 N HN 0.384 nan 8.380 nan 0.000 0.493 258 V N 2.478 122.263 119.914 -0.216 0.000 2.432 258 V HA 0.187 4.306 4.120 -0.002 0.000 0.271 258 V C 0.302 176.219 176.094 -0.295 0.000 1.046 258 V CA -0.385 61.792 62.300 -0.204 0.000 0.945 258 V CB 1.073 32.893 31.823 -0.005 0.000 0.992 258 V HN 0.105 nan 8.190 nan 0.000 0.471 259 M N 5.343 124.616 119.600 -0.546 0.000 2.363 259 M HA 0.526 5.005 4.480 -0.002 0.000 0.343 259 M C -0.571 175.443 176.300 -0.476 0.000 1.165 259 M CA 0.132 55.043 55.300 -0.648 0.000 1.046 259 M CB 1.391 33.242 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 4.786 4.350 -0.002 0.000 0.262 260 E C -2.229 174.473 176.600 0.170 0.000 0.889 260 E CA -0.288 56.097 56.400 -0.024 0.000 0.789 260 E CB 1.747 31.440 29.700 -0.011 0.000 1.221 260 E HN 0.772 nan 8.360 nan 0.000 0.414 261 W N 2.446 123.750 121.300 0.007 0.000 3.624 261 W HA 0.194 4.853 4.660 -0.002 0.000 0.312 261 W C -0.180 176.431 176.519 0.153 0.000 1.203 261 W CA -0.443 56.961 57.345 0.098 0.000 1.225 261 W CB 1.580 31.109 29.460 0.114 0.000 1.321 261 W HN 0.440 nan 8.180 nan 0.000 0.506 262 S N 5.111 120.373 115.700 -0.730 0.000 3.410 262 S HA -0.333 4.136 4.470 -0.002 0.000 0.369 262 S C 0.838 175.144 174.600 -0.490 0.000 0.961 262 S CA 2.003 59.734 58.200 -0.782 0.000 1.248 262 S CB -1.305 61.007 63.200 -1.480 0.000 0.914 262 S HN 0.997 nan 8.310 nan 0.000 0.497 263 N N -2.203 116.239 118.700 -0.430 0.000 2.967 263 N HA -0.177 4.562 4.740 -0.002 0.000 0.218 263 N C -0.175 175.013 175.510 -0.537 0.000 0.870 263 N CA 1.775 54.431 53.050 -0.656 0.000 1.030 263 N CB -1.489 36.221 38.487 -1.295 0.000 1.027 263 N HN 0.566 nan 8.380 nan 0.000 0.603 264 F N 1.576 121.466 119.950 -0.099 0.000 2.389 264 F HA 0.422 4.948 4.527 -0.002 0.000 0.337 264 F C 0.944 176.819 175.800 0.125 0.000 1.112 264 F CA 0.238 58.344 58.000 0.177 0.000 1.192 264 F CB 0.887 40.154 39.000 0.445 0.000 1.185 264 F HN -0.168 nan 8.300 nan 0.000 0.552 265 K N 4.344 124.996 120.400 0.420 0.000 2.535 265 K HA 0.582 4.901 4.320 -0.002 0.000 0.250 265 K C -1.812 174.973 176.600 0.309 0.000 0.948 265 K CA -0.481 55.914 56.287 0.181 0.000 0.796 265 K CB 1.437 34.003 32.500 0.109 0.000 1.216 265 K HN 0.508 nan 8.250 nan 0.000 0.432 266 F N -0.311 119.645 119.950 0.010 0.000 2.741 266 F HA 0.385 4.911 4.527 -0.002 0.000 0.311 266 F C -1.514 174.267 175.800 -0.032 0.000 1.149 266 F CA -1.170 56.833 58.000 0.005 0.000 0.930 266 F CB 0.940 39.913 39.000 -0.046 0.000 1.312 266 F HN 0.412 nan 8.300 nan 0.000 0.450 267 H N 2.665 121.771 119.070 0.061 0.000 2.488 267 H HA 0.528 5.083 4.556 -0.002 0.000 0.322 267 H C -1.091 174.221 175.328 -0.026 0.000 1.078 267 H CA -0.547 55.425 56.048 -0.127 0.000 1.260 267 H CB 1.417 31.005 29.762 -0.290 0.000 1.425 267 H HN 0.740 nan 8.280 nan 0.000 0.471 268 I N 5.794 126.061 120.570 -0.505 0.000 2.287 268 I HA 0.198 4.367 4.170 -0.002 0.000 0.290 268 I C 1.055 176.970 176.117 -0.337 0.000 1.069 268 I CA -0.285 60.859 61.300 -0.261 0.000 1.237 268 I CB 0.841 38.729 38.000 -0.188 0.000 1.418 268 I HN 0.547 nan 8.210 nan 0.000 0.481 269 G N 5.155 113.922 108.800 -0.055 0.000 2.557 269 G HA2 0.690 4.648 3.960 -0.002 0.000 0.302 269 G HA3 0.690 4.648 3.960 -0.002 0.000 0.302 269 G C -1.439 173.576 174.900 0.191 0.000 1.311 269 G CA -0.296 44.878 45.100 0.123 0.000 1.030 269 G HN 0.391 nan 8.290 nan 0.000 0.509 270 F N 0.423 120.391 119.950 0.031 0.000 2.669 270 F HA 0.420 4.946 4.527 -0.002 0.000 0.315 270 F C -1.231 174.635 175.800 0.110 0.000 1.109 270 F CA -0.950 57.076 58.000 0.043 0.000 1.028 270 F CB 1.817 40.833 39.000 0.027 0.000 1.287 270 F HN 0.823 nan 8.300 nan 0.000 0.452 271 N N 2.307 120.918 118.700 -0.149 0.000 2.647 271 N HA 0.258 4.997 4.740 -0.002 0.000 0.266 271 N C 0.120 175.581 175.510 -0.080 0.000 1.373 271 N CA -0.510 52.610 53.050 0.117 0.000 0.807 271 N CB 0.401 38.964 38.487 0.127 0.000 1.513 271 N HN 0.515 nan 8.380 nan 0.000 0.505 272 Y N -1.042 119.169 120.300 -0.149 0.000 2.365 272 Y HA 0.038 4.587 4.550 -0.002 0.000 0.287 272 Y C 2.006 177.439 175.900 -0.777 0.000 1.162 272 Y CA 1.304 58.897 58.100 -0.846 0.000 1.260 272 Y CB -0.346 37.231 38.460 -1.471 0.000 0.976 272 Y HN 0.653 nan 8.280 nan 0.000 0.548 273 R N 0.347 119.973 120.500 -1.457 0.000 2.064 273 R HA 0.084 4.423 4.340 -0.002 0.000 0.210 273 R C 1.986 177.867 176.300 -0.699 0.000 1.221 273 R CA 0.978 56.340 56.100 -1.230 0.000 1.055 273 R CB 0.014 29.385 30.300 -1.549 0.000 0.946 273 R HN 0.396 nan 8.270 nan 0.000 0.459 274 E N -0.161 119.734 120.200 -0.507 0.000 2.358 274 E HA 0.127 4.476 4.350 -0.002 0.000 0.195 274 E C 0.860 177.242 176.600 -0.364 0.000 1.010 274 E CA 0.414 56.631 56.400 -0.304 0.000 0.856 274 E CB 0.379 29.993 29.700 -0.143 0.000 0.795 274 E HN 0.566 nan 8.360 nan 0.000 0.504 275 G N 1.895 110.312 108.800 -0.638 0.000 2.523 275 G HA2 -0.337 3.622 3.960 -0.002 0.000 0.271 275 G HA3 -0.337 3.622 3.960 -0.002 0.000 0.271 275 G C 0.066 174.413 174.900 -0.922 0.000 1.146 275 G CA -0.196 44.300 45.100 -1.006 0.000 0.961 275 G HN 0.188 nan 8.290 nan 0.000 0.549 276 I N 1.161 121.553 120.570 -0.298 0.000 2.683 276 I HA 0.336 4.504 4.170 -0.002 0.000 0.286 276 I C 0.309 176.277 176.117 -0.247 0.000 1.175 276 I CA 0.098 61.362 61.300 -0.060 0.000 1.429 276 I CB 0.806 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 7.938 127.719 119.914 -0.222 0.000 2.482 277 V HA 0.354 4.473 4.120 -0.002 0.000 0.295 277 V C -0.110 175.832 176.094 -0.253 0.000 1.026 277 V CA -0.553 61.585 62.300 -0.269 0.000 0.856 277 V CB 1.658 33.389 31.823 -0.154 0.000 1.001 277 V HN 0.446 nan 8.190 nan 0.000 0.424 278 L N 4.281 125.264 121.223 -0.399 0.000 2.264 278 L HA 0.672 5.011 4.340 -0.002 0.000 0.289 278 L C 0.213 176.985 176.870 -0.164 0.000 1.044 278 L CA 0.154 54.842 54.840 -0.254 0.000 0.807 278 L CB 1.544 43.351 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 4.776 4.470 -0.002 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 0.948 121.304 120.400 -0.073 0.000 2.697 280 D HA -0.142 4.496 4.640 -0.002 0.000 0.235 280 D C -0.686 175.752 176.300 0.231 0.000 1.167 280 D CA 0.353 54.439 54.000 0.143 0.000 0.656 280 D CB -1.169 39.799 40.800 0.279 0.000 1.025 280 D HN 0.255 nan 8.370 nan 0.000 0.419 281 V N 1.220 121.262 119.914 0.213 0.000 2.455 281 V HA 0.518 4.637 4.120 -0.002 0.000 0.273 281 V C 0.920 177.158 176.094 0.240 0.000 1.045 281 V CA 0.354 62.822 62.300 0.280 0.000 0.976 281 V CB 1.375 33.344 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 5.253 4.470 -0.002 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 2.112 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 5.049 4.550 -0.002 0.000 0.336 283 Y C -0.623 175.333 175.900 0.094 0.000 0.979 283 Y CA -0.784 57.367 58.100 0.085 0.000 1.080 283 Y CB 1.600 40.109 38.460 0.081 0.000 1.190 283 Y HN 0.862 nan 8.280 nan 0.000 0.446 284 N N 4.824 123.293 118.700 -0.384 0.000 2.415 284 N HA 0.013 4.752 4.740 -0.002 0.000 0.250 284 N C -1.170 174.257 175.510 -0.138 0.000 1.127 284 N CA 0.160 53.090 53.050 -0.199 0.000 0.945 284 N CB 0.312 38.649 38.487 -0.250 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 4.725 4.640 -0.002 0.000 0.218 285 D C -0.396 175.991 176.300 0.144 0.000 1.149 285 D CA -0.106 54.067 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 1.623 120.740 119.070 0.079 0.000 2.604 286 H HA -0.198 4.357 4.556 -0.002 0.000 0.321 286 H C 1.457 176.795 175.328 0.016 0.000 1.132 286 H CA 1.021 57.086 56.048 0.028 0.000 1.129 286 H CB -1.007 28.774 29.762 0.031 0.000 1.526 286 H HN 0.677 nan 8.280 nan 0.000 0.415 287 G N -0.149 108.684 108.800 0.055 0.000 2.279 287 G HA2 -0.342 3.617 3.960 -0.002 0.000 0.223 287 G HA3 -0.342 3.617 3.960 -0.002 0.000 0.223 287 G C 0.264 175.185 174.900 0.035 0.000 1.015 287 G CA 0.039 45.162 45.100 0.037 0.000 0.621 287 G HN 0.738 nan 8.290 nan 0.000 0.506 288 N N 0.860 119.597 118.700 0.061 0.000 2.469 288 N HA 0.420 5.159 4.740 -0.002 0.000 0.239 288 N C 0.077 175.631 175.510 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 39.188 38.487 0.056 0.000 1.163 288 N HN 0.068 nan 8.380 nan 0.000 0.509 289 V N 4.732 124.678 119.914 0.053 0.000 2.397 289 V HA 0.138 4.257 4.120 -0.002 0.000 0.262 289 V C 0.437 176.591 176.094 0.100 0.000 1.047 289 V CA 0.015 62.358 62.300 0.072 0.000 1.003 289 V CB -0.110 31.738 31.823 0.043 0.000 1.037 289 V HN 0.601 nan 8.190 nan 0.000 0.480 290 R N 5.894 126.496 120.500 0.171 0.000 2.338 290 R HA 0.460 4.799 4.340 -0.002 0.000 0.317 290 R C -2.739 173.697 176.300 0.226 0.000 0.968 290 R CA -1.857 54.355 56.100 0.187 0.000 0.849 290 R CB 1.479 31.904 30.300 0.210 0.000 1.128 290 R HN 0.394 nan 8.270 nan 0.000 0.448 291 P HA 0.123 nan 4.420 nan 0.000 0.272 291 P C -0.082 177.248 177.300 0.049 0.000 1.223 291 P CA 0.060 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 -0.501 119.989 120.570 -0.132 0.000 3.669 292 I HA 0.214 4.383 4.170 -0.002 0.000 0.255 292 I C -0.125 175.572 176.117 -0.701 0.000 1.144 292 I CA 0.426 61.356 61.300 -0.618 0.000 1.447 292 I CB 0.242 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 0.195 120.090 119.950 -0.093 0.000 2.565 293 F HA 0.365 4.891 4.527 -0.002 0.000 0.313 293 F C 0.997 176.792 175.800 -0.007 0.000 1.091 293 F CA -0.933 57.018 58.000 -0.081 0.000 0.915 293 F CB 0.858 39.765 39.000 -0.155 0.000 1.208 293 F HN -0.023 nan 8.300 nan 0.000 0.453 294 H N 1.793 120.936 119.070 0.122 0.000 2.497 294 H HA 0.290 4.845 4.556 -0.002 0.000 0.282 294 H C 0.058 175.374 175.328 -0.021 0.000 1.003 294 H CA 0.872 56.939 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 0.391 120.832 120.500 -0.097 0.000 2.579 295 R HA 0.352 4.691 4.340 -0.002 0.000 0.260 295 R C -2.202 173.959 176.300 -0.231 0.000 1.103 295 R CA -0.461 55.512 56.100 -0.211 0.000 0.942 295 R CB 1.713 31.889 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 4.787 4.170 -0.002 0.000 0.293 296 I C -1.465 174.390 176.117 -0.436 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 0.510 4.978 4.470 -0.002 0.000 0.265 297 S C -1.720 172.984 174.600 0.174 0.000 1.132 297 S CA -1.067 57.075 58.200 -0.096 0.000 0.819 297 S CB 1.007 64.110 63.200 -0.162 0.000 1.119 297 S HN 0.580 nan 8.310 nan 0.000 0.476 298 L N 2.650 124.024 121.223 0.251 0.000 2.264 298 L HA 0.488 4.826 4.340 -0.002 0.000 0.289 298 L C 1.246 178.164 176.870 0.081 0.000 1.044 298 L CA -0.200 54.762 54.840 0.202 0.000 0.807 298 L CB 1.705 43.912 42.059 0.247 0.000 1.192 298 L HN 1.025 nan 8.230 nan 0.000 0.425 299 S N 0.804 116.535 115.700 0.051 0.000 2.503 299 S HA 0.190 4.659 4.470 -0.002 0.000 0.215 299 S C 0.322 174.933 174.600 0.018 0.000 1.003 299 S CA -0.155 58.105 58.200 0.099 0.000 0.910 299 S CB 0.472 63.780 63.200 0.179 0.000 0.790 299 S HN 0.662 nan 8.310 nan 0.000 0.514 300 E N -0.675 119.420 120.200 -0.175 0.000 2.417 300 E HA 0.666 5.015 4.350 -0.002 0.000 0.280 300 E C -1.774 174.650 176.600 -0.293 0.000 1.112 300 E CA -0.447 55.787 56.400 -0.277 0.000 0.863 300 E CB 1.115 30.541 29.700 -0.457 0.000 1.346 300 E HN 0.311 nan 8.360 nan 0.000 0.443 301 M N 1.386 120.928 119.600 -0.098 0.000 2.644 301 M HA 0.635 5.114 4.480 -0.002 0.000 0.273 301 M C -1.400 175.014 176.300 0.190 0.000 1.253 301 M CA -0.863 54.416 55.300 -0.036 0.000 0.852 301 M CB 2.574 35.033 32.600 -0.236 0.000 1.708 301 M HN 0.578 nan 8.290 nan 0.000 0.471 302 I N 0.883 121.514 120.570 0.102 0.000 2.710 302 I HA 0.432 4.601 4.170 -0.002 0.000 0.290 302 I C -1.706 174.383 176.117 -0.047 0.000 1.318 302 I CA -0.583 60.756 61.300 0.065 0.000 1.045 302 I CB 1.939 39.968 38.000 0.048 0.000 1.307 302 I HN 0.419 nan 8.210 nan 0.000 0.424 303 V N 8.873 128.792 119.914 0.009 0.000 2.225 303 V HA 0.346 4.465 4.120 -0.002 0.000 0.264 303 V C -2.249 173.881 176.094 0.061 0.000 1.067 303 V CA -1.266 61.007 62.300 -0.045 0.000 0.903 303 V CB 0.751 32.586 31.823 0.020 0.000 1.136 303 V HN 0.513 nan 8.190 nan 0.000 0.456 304 P HA 0.254 nan 4.420 nan 0.000 0.282 304 P C -0.616 176.678 177.300 -0.010 0.000 1.274 304 P CA -0.108 63.035 63.100 0.072 0.000 0.770 304 P CB 0.795 32.471 31.700 -0.041 0.000 0.867 305 F N 1.739 121.735 119.950 0.077 0.000 2.371 305 F HA 0.409 4.934 4.527 -0.002 0.000 0.329 305 F C 1.911 177.699 175.800 -0.019 0.000 1.107 305 F CA 0.480 58.522 58.000 0.069 0.000 1.137 305 F CB 0.767 39.809 39.000 0.070 0.000 1.214 305 F HN 0.381 nan 8.300 nan 0.000 0.536 306 G N 0.445 109.303 108.800 0.096 0.000 3.434 306 G HA2 0.071 4.030 3.960 -0.002 0.000 0.258 306 G HA3 0.071 4.030 3.960 -0.002 0.000 0.258 306 G C -0.027 174.789 174.900 -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 1.272 116.839 115.700 -0.223 0.000 2.475 307 S HA 0.453 4.921 4.470 -0.002 0.000 0.281 307 S C -0.844 173.467 174.600 -0.481 0.000 1.198 307 S CA -1.419 56.482 58.200 -0.498 0.000 1.063 307 S CB 1.889 64.639 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 -0.293 176.862 177.300 -0.241 0.000 1.177 308 P CA 0.218 63.048 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 0.166 120.253 120.200 -0.188 0.000 2.360 309 E HA 0.112 4.461 4.350 -0.002 0.000 0.269 309 E C -0.351 176.155 176.600 -0.156 0.000 1.022 309 E CA -0.679 55.687 56.400 -0.056 0.000 0.887 309 E CB 0.339 30.078 29.700 0.066 0.000 0.990 309 E HN 0.048 nan 8.360 nan 0.000 0.426 310 F N 4.911 124.715 119.950 -0.243 0.000 2.529 310 F HA 0.073 4.599 4.527 -0.002 0.000 0.365 310 F C -1.394 174.090 175.800 -0.527 0.000 1.102 310 F CA -1.533 56.291 58.000 -0.293 0.000 1.271 310 F CB 0.842 39.743 39.000 -0.164 0.000 1.120 310 F HN 0.315 nan 8.300 nan 0.000 0.579 311 P HA 0.147 nan 4.420 nan 0.000 0.257 311 P C -0.150 176.686 177.300 -0.774 0.000 1.737 311 P CA 0.207 62.496 63.100 -1.350 0.000 1.130 311 P CB -0.374 30.591 31.700 -1.224 0.000 1.572 312 H N 0.498 119.305 119.070 -0.438 0.000 2.561 312 H HA -0.091 4.464 4.556 -0.002 0.000 0.278 312 H C 2.271 177.461 175.328 -0.229 0.000 1.014 312 H CA 0.684 56.520 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 1.646 121.359 119.800 -0.145 0.000 2.369 313 Q HA -0.112 4.227 4.340 -0.002 0.000 0.206 313 Q C 1.298 177.361 176.000 0.105 0.000 0.963 313 Q CA 1.013 56.791 55.803 -0.041 0.000 0.894 313 Q CB -0.060 28.633 28.738 -0.074 0.000 0.965 313 Q HN 0.481 nan 8.270 nan 0.000 0.475 314 R N 0.881 121.371 120.500 -0.016 0.000 2.319 314 R HA 0.164 4.502 4.340 -0.002 0.000 0.204 314 R C 0.080 176.384 176.300 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 1.960 122.410 120.400 0.082 0.000 2.296 315 K HA 0.099 4.417 4.320 -0.002 0.000 0.257 315 K C -0.407 176.470 176.600 0.462 0.000 1.088 315 K CA -0.131 56.236 56.287 0.132 0.000 0.980 315 K CB 0.514 32.844 32.500 -0.284 0.000 1.430 315 K HN 0.294 nan 8.250 nan 0.000 0.441 316 H N 0.117 119.401 119.070 0.358 0.000 3.080 316 H HA 0.191 4.746 4.556 -0.002 0.000 0.211 316 H C -0.747 174.701 175.328 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 0.353 nan 8.280 nan 0.000 0.526 317 A N 1.881 124.810 122.820 0.183 0.000 2.546 317 A HA 0.310 4.629 4.320 -0.002 0.000 0.243 317 A C 0.184 177.779 177.584 0.018 0.000 1.063 317 A CA -0.196 51.859 52.037 0.030 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 3.557 124.751 121.223 -0.049 0.000 2.494 318 L HA 0.208 4.547 4.340 -0.002 0.000 0.251 318 L C 0.711 177.500 176.870 -0.136 0.000 1.119 318 L CA -0.055 54.775 54.840 -0.016 0.000 1.026 318 L CB 0.602 42.692 42.059 0.052 0.000 1.370 318 L HN 0.755 nan 8.230 nan 0.000 0.426 319 D N 1.251 121.596 120.400 -0.091 0.000 2.133 319 D HA -0.259 4.380 4.640 -0.002 0.000 0.192 319 D C 2.029 178.230 176.300 -0.166 0.000 1.001 319 D CA 1.785 55.762 54.000 -0.040 0.000 0.844 319 D CB 0.278 41.103 40.800 0.042 0.000 0.944 319 D HN 0.480 nan 8.370 nan 0.000 0.447 320 I N 0.798 121.231 120.570 -0.228 0.000 2.142 320 I HA -0.178 3.991 4.170 -0.002 0.000 0.240 320 I C 2.561 178.469 176.117 -0.349 0.000 1.078 320 I CA 1.525 62.632 61.300 -0.322 0.000 1.343 320 I CB -0.399 37.438 38.000 -0.273 0.000 1.046 320 I HN 0.023 nan 8.210 nan 0.000 0.405 321 G N -0.380 108.249 108.800 -0.284 0.000 2.572 321 G HA2 -0.100 3.859 3.960 -0.002 0.000 0.216 321 G HA3 -0.100 3.859 3.960 -0.002 0.000 0.216 321 G C 1.430 176.187 174.900 -0.239 0.000 1.133 321 G CA 0.187 45.114 45.100 -0.290 0.000 0.791 321 G HN 0.410 nan 8.290 nan 0.000 0.538 322 E N -1.391 118.619 120.200 -0.318 0.000 2.431 322 E HA 0.136 4.485 4.350 -0.002 0.000 0.200 322 E C 0.886 177.160 176.600 -0.544 0.000 0.995 322 E CA 0.255 56.375 56.400 -0.467 0.000 0.915 322 E CB 0.367 29.652 29.700 -0.691 0.000 0.930 322 E HN 0.555 nan 8.360 nan 0.000 0.496 323 Y N -0.425 119.830 120.300 -0.074 0.000 2.640 323 Y HA 0.344 4.892 4.550 -0.002 0.000 0.274 323 Y C 0.781 176.668 175.900 -0.022 0.000 1.164 323 Y CA 0.232 58.312 58.100 -0.034 0.000 1.189 323 Y CB 1.057 39.474 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 4.116 3.960 -0.002 0.000 0.686 324 G HA3 0.157 4.116 3.960 -0.002 0.000 0.686 324 G C 0.615 175.261 174.900 -0.423 0.000 1.056 324 G CA -0.258 44.644 45.100 -0.330 0.000 0.891 324 G HN 0.620 nan 8.290 nan 0.000 0.514 325 A N 1.333 123.770 122.820 -0.638 0.000 2.067 325 A HA 0.342 4.661 4.320 -0.002 0.000 0.219 325 A C 2.583 179.933 177.584 -0.390 0.000 1.158 325 A CA 2.438 53.959 52.037 -0.859 0.000 0.661 325 A CB -0.361 18.180 19.000 -0.765 0.000 0.801 325 A HN 2.149 nan 8.150 nan 0.000 0.452 326 G N -1.494 107.082 108.800 -0.374 0.000 2.404 326 G HA2 -0.080 3.879 3.960 -0.002 0.000 0.213 326 G HA3 -0.080 3.879 3.960 -0.002 0.000 0.213 326 G C 1.381 176.374 174.900 0.155 0.000 1.189 326 G CA 0.857 45.936 45.100 -0.035 0.000 0.796 326 G HN 0.424 nan 8.290 nan 0.000 0.532 327 Y N 0.722 120.856 120.300 -0.276 0.000 2.256 327 Y HA 0.022 4.571 4.550 -0.002 0.000 0.288 327 Y C 2.843 178.761 175.900 0.030 0.000 1.155 327 Y CA 0.692 58.651 58.100 -0.234 0.000 1.203 327 Y CB -0.336 37.996 38.460 -0.213 0.000 0.980 327 Y HN 0.143 nan 8.280 nan 0.000 0.530 328 M N -1.272 118.438 119.600 0.183 0.000 2.561 328 M HA 0.004 4.483 4.480 -0.002 0.000 0.238 328 M C 0.805 177.292 176.300 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 2.201 116.966 114.554 0.352 0.000 2.916 329 T HA 0.073 4.422 4.350 -0.002 0.000 0.303 329 T C 0.124 174.993 174.700 0.282 0.000 1.025 329 T CA -0.080 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 5.322 124.157 118.700 0.226 0.000 2.499 330 N HA 0.342 5.081 4.740 -0.002 0.000 0.281 330 N C -2.642 172.924 175.510 0.094 0.000 1.098 330 N CA -1.809 51.327 53.050 0.142 0.000 0.979 330 N CB 0.944 39.496 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 0.429 177.720 177.300 -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 2.194 123.402 121.223 -0.024 0.000 2.554 332 L HA -0.020 4.318 4.340 -0.002 0.000 0.226 332 L C 2.177 179.018 176.870 -0.048 0.000 1.137 332 L CA 1.055 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 0.300 115.866 115.700 -0.224 0.000 2.460 333 S HA -0.208 4.260 4.470 -0.002 0.000 0.241 333 S C 1.392 175.940 174.600 -0.087 0.000 1.051 333 S CA 1.332 59.373 58.200 -0.265 0.000 1.223 333 S CB -0.227 62.831 63.200 -0.236 0.000 1.160 333 S HN 0.261 nan 8.310 nan 0.000 0.424 334 L N -0.365 120.827 121.223 -0.052 0.000 2.636 334 L HA 0.347 4.685 4.340 -0.002 0.000 0.163 334 L C 2.324 179.199 176.870 0.009 0.000 1.052 334 L CA 0.236 55.069 54.840 -0.012 0.000 1.170 334 L CB -0.998 41.058 42.059 -0.005 0.000 1.864 334 L HN 0.656 nan 8.230 nan 0.000 0.472 335 G N -1.696 107.113 108.800 0.016 0.000 2.587 335 G HA2 -0.392 3.566 3.960 -0.002 0.000 0.246 335 G HA3 -0.392 3.566 3.960 -0.002 0.000 0.246 335 G C 0.728 175.640 174.900 0.019 0.000 1.058 335 G CA 0.347 45.459 45.100 0.019 0.000 0.658 335 G HN 0.709 nan 8.290 nan 0.000 0.538 336 C N -0.406 118.910 119.300 0.026 0.000 4.588 336 C HA -0.158 4.301 4.460 -0.002 0.000 0.295 336 C C 1.518 176.524 174.990 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 0.815 nan 8.230 nan 0.000 0.779 337 D N -0.339 120.086 120.400 0.041 0.000 2.149 337 D HA 0.039 4.677 4.640 -0.002 0.000 0.201 337 D C 0.742 177.071 176.300 0.048 0.000 0.972 337 D CA 1.230 55.261 54.000 0.052 0.000 0.835 337 D CB 0.082 40.919 40.800 0.061 0.000 0.966 337 D HN 0.659 nan 8.370 nan 0.000 0.476 338 c N 1.909 120.525 118.600 0.025 0.000 2.258 338 c HA 0.361 4.929 4.570 -0.002 0.000 0.321 338 c C 0.094 174.109 174.090 -0.124 0.000 1.168 338 c CA -1.540 54.731 56.329 -0.097 0.000 1.531 338 c CB -0.407 42.038 42.510 -0.108 0.000 2.095 338 c HN 0.142 nan 8.230 nan 0.000 0.449 339 K N 2.780 123.096 120.400 -0.141 0.000 2.172 339 K HA 0.619 4.937 4.320 -0.002 0.000 0.276 339 K C 0.625 177.169 176.600 -0.093 0.000 1.013 339 K CA 0.737 56.979 56.287 -0.076 0.000 0.913 339 K CB 0.729 33.215 32.500 -0.024 0.000 1.055 339 K HN 1.052 nan 8.250 nan 0.000 0.461 340 G N 1.026 109.808 108.800 -0.031 0.000 2.447 340 G HA2 -0.189 3.769 3.960 -0.002 0.000 0.220 340 G HA3 -0.189 3.769 3.960 -0.002 0.000 0.220 340 G C -1.191 173.717 174.900 0.014 0.000 1.261 340 G CA -0.554 44.553 45.100 0.012 0.000 1.000 340 G HN 0.467 nan 8.290 nan 0.000 0.515 341 V N 2.109 122.058 119.914 0.060 0.000 2.370 341 V HA 0.361 4.480 4.120 -0.002 0.000 0.257 341 V C 0.640 176.786 176.094 0.087 0.000 1.064 341 V CA -0.249 62.090 62.300 0.064 0.000 0.975 341 V CB 0.143 32.008 31.823 0.071 0.000 1.067 341 V HN 0.543 nan 8.190 nan 0.000 0.485 342 I N 4.179 124.740 120.570 -0.015 0.000 2.498 342 I HA 0.461 4.630 4.170 -0.002 0.000 0.301 342 I C 0.027 176.048 176.117 -0.160 0.000 0.984 342 I CA -0.434 60.773 61.300 -0.155 0.000 1.204 342 I CB 1.427 39.129 38.000 -0.497 0.000 1.362 342 I HN 0.533 nan 8.210 nan 0.000 0.471 343 H N 5.496 124.421 119.070 -0.241 0.000 2.589 343 H HA 0.434 4.989 4.556 -0.002 0.000 0.335 343 H C -1.663 173.491 175.328 -0.289 0.000 1.019 343 H CA -0.324 55.654 56.048 -0.116 0.000 1.213 343 H CB 1.095 30.945 29.762 0.147 0.000 1.472 343 H HN 0.364 nan 8.280 nan 0.000 0.508 344 Y N 3.492 123.795 120.300 0.006 0.000 2.534 344 Y HA 0.466 5.014 4.550 -0.002 0.000 0.329 344 Y C 0.038 175.959 175.900 0.035 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 0.398 nan 8.280 nan 0.000 0.491 345 L N 1.892 123.214 121.223 0.166 0.000 2.401 345 L HA 0.452 4.791 4.340 -0.002 0.000 0.266 345 L C -1.243 175.546 176.870 -0.135 0.000 0.991 345 L CA -0.990 53.856 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 1.332 121.606 120.400 -0.210 0.000 2.268 346 D HA 0.664 5.303 4.640 -0.002 0.000 0.249 346 D C -0.420 175.489 176.300 -0.652 0.000 1.008 346 D CA -0.200 53.572 54.000 -0.380 0.000 0.939 346 D CB 2.359 42.969 40.800 -0.317 0.000 1.170 346 D HN 0.554 nan 8.370 nan 0.000 0.468 347 A N 1.246 123.588 122.820 -0.798 0.000 2.355 347 A HA 0.594 4.912 4.320 -0.002 0.000 0.324 347 A C -0.967 175.950 177.584 -1.111 0.000 1.117 347 A CA -0.663 50.834 52.037 -0.900 0.000 0.785 347 A CB 1.049 19.551 19.000 -0.831 0.000 1.254 347 A HN 0.556 nan 8.150 nan 0.000 0.453 348 H N 1.212 119.950 119.070 -0.553 0.000 2.609 348 H HA 0.643 5.198 4.556 -0.002 0.000 0.344 348 H C -1.402 173.711 175.328 -0.359 0.000 1.040 348 H CA -0.219 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 -0.093 120.016 119.950 0.265 0.000 2.764 349 F HA 0.477 5.003 4.527 -0.002 0.000 0.347 349 F C 0.725 176.629 175.800 0.174 0.000 1.151 349 F CA -1.082 57.074 58.000 0.259 0.000 1.021 349 F CB 1.016 40.269 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 5.071 4.470 -0.002 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 0.825 64.057 63.200 0.053 0.000 1.056 350 S HN 0.599 nan 8.310 nan 0.000 0.494 351 D N 1.796 122.254 120.400 0.096 0.000 2.478 351 D HA 0.313 4.951 4.640 -0.002 0.000 0.263 351 D C 1.176 177.539 176.300 0.105 0.000 1.153 351 D CA -0.795 53.254 54.000 0.081 0.000 1.038 351 D CB 0.263 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 -0.504 120.050 120.500 0.091 0.000 2.117 352 R HA -0.177 4.162 4.340 -0.002 0.000 0.243 352 R C 1.682 178.107 176.300 0.207 0.000 1.143 352 R CA 1.600 57.776 56.100 0.126 0.000 0.968 352 R CB -0.585 29.751 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 4.477 4.320 -0.002 0.000 0.214 353 A C 1.417 179.084 177.584 0.139 0.000 1.151 353 A CA 0.982 53.110 52.037 0.151 0.000 0.735 353 A CB -0.088 18.957 19.000 0.075 0.000 0.802 353 A HN 0.604 nan 8.150 nan 0.000 0.467 354 G N -0.878 107.934 108.800 0.020 0.000 2.159 354 G HA2 -0.165 3.794 3.960 -0.002 0.000 0.227 354 G HA3 -0.165 3.794 3.960 -0.002 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 1.303 121.649 120.400 -0.089 0.000 2.210 355 D HA 0.454 5.093 4.640 -0.002 0.000 0.249 355 D C -2.428 173.862 176.300 -0.018 0.000 1.078 355 D CA -1.235 52.734 54.000 -0.052 0.000 0.875 355 D CB 1.545 42.337 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 -0.461 176.873 177.300 0.057 0.000 1.204 356 P CA 0.049 63.161 63.100 0.021 0.000 0.768 356 P CB 0.457 32.142 31.700 -0.026 0.000 0.842 357 I N -0.922 119.718 120.570 0.116 0.000 2.569 357 I HA 0.651 4.820 4.170 -0.002 0.000 0.296 357 I C -0.703 175.483 176.117 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 4.340 118.947 114.554 0.087 0.000 2.863 358 T HA 0.445 4.794 4.350 -0.002 0.000 0.285 358 T C -0.770 173.909 174.700 -0.036 0.000 1.009 358 T CA -0.568 61.551 62.100 0.032 0.000 0.989 358 T CB 2.293 71.232 68.868 0.118 0.000 1.004 358 T HN 0.550 nan 8.240 nan 0.000 0.455 359 V N 4.570 124.391 119.914 -0.156 0.000 2.326 359 V HA 0.458 4.577 4.120 -0.002 0.000 0.281 359 V C -0.368 175.623 176.094 -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 0.729 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 4.667 4.320 -0.002 0.000 0.270 360 K C 0.514 177.006 176.600 -0.180 0.000 1.015 360 K CA 0.029 56.224 56.287 -0.154 0.000 0.949 360 K CB 0.308 32.732 32.500 -0.125 0.000 0.976 360 K HN 0.876 nan 8.250 nan 0.000 0.472 361 N N 0.439 119.016 118.700 -0.204 0.000 2.725 361 N HA -0.263 4.476 4.740 -0.002 0.000 0.251 361 N C 0.378 175.842 175.510 -0.077 0.000 1.031 361 N CA 0.180 53.106 53.050 -0.208 0.000 0.720 361 N CB -0.687 37.451 38.487 -0.582 0.000 0.930 361 N HN 0.738 nan 8.380 nan 0.000 0.543 362 A N -0.492 122.243 122.820 -0.142 0.000 1.968 362 A HA 0.148 4.467 4.320 -0.002 0.000 0.217 362 A C 0.904 178.440 177.584 -0.081 0.000 1.169 362 A CA 1.101 53.035 52.037 -0.172 0.000 0.638 362 A CB 0.638 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 0.396 4.515 4.120 -0.002 0.000 0.298 363 V C -0.213 175.964 176.094 0.138 0.000 1.028 363 V CA -0.846 61.483 62.300 0.049 0.000 0.860 363 V CB 0.977 32.798 31.823 -0.002 0.000 0.991 363 V HN 0.552 nan 8.190 nan 0.000 0.427 364 c N 5.929 124.603 118.600 0.123 0.000 2.411 364 c HA 0.884 5.453 4.570 -0.002 0.000 0.330 364 c C -0.537 173.562 174.090 0.014 0.000 1.224 364 c CA -0.633 55.697 56.329 0.002 0.000 1.770 364 c CB 0.022 42.519 42.510 -0.022 0.000 2.297 364 c HN 0.794 nan 8.230 nan 0.000 0.507 365 I N 5.971 126.506 120.570 -0.058 0.000 2.545 365 I HA 0.646 4.814 4.170 -0.002 0.000 0.292 365 I C -0.350 175.754 176.117 -0.023 0.000 1.040 365 I CA -0.123 61.113 61.300 -0.107 0.000 1.068 365 I CB 1.904 39.710 38.000 -0.324 0.000 1.251 365 I HN 0.988 nan 8.210 nan 0.000 0.424 366 H N 3.788 122.682 119.070 -0.292 0.000 2.935 366 H HA 0.423 4.978 4.556 -0.002 0.000 0.297 366 H C -2.049 173.209 175.328 -0.116 0.000 1.423 366 H CA -1.155 54.843 56.048 -0.084 0.000 1.161 366 H CB 1.081 30.848 29.762 0.008 0.000 1.841 366 H HN 0.634 nan 8.280 nan 0.000 0.506 367 E N 1.136 121.338 120.200 0.003 0.000 2.207 367 E HA 0.657 5.006 4.350 -0.002 0.000 0.270 367 E C -0.968 175.637 176.600 0.007 0.000 0.927 367 E CA -0.950 55.393 56.400 -0.094 0.000 0.799 367 E CB 2.762 32.555 29.700 0.155 0.000 1.172 367 E HN 0.640 nan 8.360 nan 0.000 0.404 368 E N 0.848 121.030 120.200 -0.029 0.000 2.416 368 E HA 0.161 4.510 4.350 -0.002 0.000 0.273 368 E C -1.317 175.317 176.600 0.057 0.000 0.935 368 E CA -0.950 55.475 56.400 0.040 0.000 0.784 368 E CB 1.964 31.674 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 4.638 4.640 -0.002 0.000 0.243 369 D C -0.719 175.601 176.300 0.033 0.000 1.121 369 D CA 0.329 54.361 54.000 0.053 0.000 0.898 369 D CB 1.054 41.877 40.800 0.039 0.000 1.202 369 D HN 0.364 nan 8.370 nan 0.000 0.428 370 D N 1.692 122.112 120.400 0.034 0.000 2.895 370 D HA 0.321 4.960 4.640 -0.002 0.000 0.350 370 D C 0.515 176.820 176.300 0.008 0.000 1.389 370 D CA 0.415 54.426 54.000 0.018 0.000 0.812 370 D CB -0.103 40.718 40.800 0.035 0.000 1.164 370 D HN 0.726 nan 8.370 nan 0.000 0.455 371 G N 0.279 109.079 108.800 0.001 0.000 2.562 371 G HA2 -0.256 3.702 3.960 -0.002 0.000 0.250 371 G HA3 -0.256 3.702 3.960 -0.002 0.000 0.250 371 G C -0.352 174.535 174.900 -0.022 0.000 1.269 371 G CA -0.218 44.876 45.100 -0.009 0.000 0.919 371 G HN 0.321 nan 8.290 nan 0.000 0.574 372 L N 0.387 121.593 121.223 -0.028 0.000 2.371 372 L HA 0.417 4.756 4.340 -0.002 0.000 0.272 372 L C 1.718 178.542 176.870 -0.076 0.000 1.124 372 L CA -0.691 54.115 54.840 -0.057 0.000 0.816 372 L CB 1.186 43.228 42.059 -0.028 0.000 1.129 372 L HN 0.581 nan 8.230 nan 0.000 0.448 373 L N 3.858 124.959 121.223 -0.204 0.000 2.168 373 L HA 0.249 4.588 4.340 -0.002 0.000 0.203 373 L C -0.151 176.650 176.870 -0.116 0.000 1.078 373 L CA 1.322 56.017 54.840 -0.242 0.000 0.780 373 L CB 0.191 41.934 42.059 -0.528 0.000 0.939 373 L HN 0.574 nan 8.230 nan 0.000 0.451 374 F N -2.614 117.358 119.950 0.037 0.000 2.770 374 F HA 0.583 5.108 4.527 -0.002 0.000 0.313 374 F C -0.809 175.021 175.800 0.050 0.000 1.154 374 F CA -1.739 56.283 58.000 0.038 0.000 0.923 374 F CB 0.558 39.576 39.000 0.031 0.000 1.301 374 F HN -0.177 nan 8.300 nan 0.000 0.449 375 K N 0.781 121.393 120.400 0.353 0.000 2.578 375 K HA 0.601 4.920 4.320 -0.002 0.000 0.269 375 K C -2.565 174.194 176.600 0.264 0.000 0.941 375 K CA -0.828 55.614 56.287 0.257 0.000 0.847 375 K CB 2.347 34.923 32.500 0.127 0.000 1.397 375 K HN 1.117 nan 8.250 nan 0.000 0.422 376 H N 0.067 119.206 119.070 0.115 0.000 3.129 376 H HA 0.454 5.009 4.556 -0.002 0.000 0.342 376 H C -2.010 173.378 175.328 0.100 0.000 1.092 376 H CA -0.246 55.853 56.048 0.086 0.000 1.310 376 H CB 1.875 31.681 29.762 0.073 0.000 1.932 376 H HN 0.512 nan 8.280 nan 0.000 0.507 377 S N 3.358 118.701 115.700 -0.595 0.000 2.542 377 S HA 0.238 4.707 4.470 -0.002 0.000 0.293 377 S C -1.234 173.184 174.600 -0.304 0.000 1.089 377 S CA -0.916 57.110 58.200 -0.290 0.000 0.961 377 S CB 1.686 64.862 63.200 -0.038 0.000 1.062 377 S HN 0.664 nan 8.310 nan 0.000 0.483 378 D N 1.569 121.925 120.400 -0.073 0.000 2.280 378 D HA 0.221 4.860 4.640 -0.002 0.000 0.243 378 D C 0.846 177.139 176.300 -0.012 0.000 1.129 378 D CA -0.812 53.154 54.000 -0.055 0.000 0.848 378 D CB 0.587 41.312 40.800 -0.124 0.000 1.107 378 D HN 0.448 nan 8.370 nan 0.000 0.471 379 F N 3.643 123.621 119.950 0.047 0.000 2.365 379 F HA 0.061 4.587 4.527 -0.002 0.000 0.300 379 F C 1.830 177.480 175.800 -0.251 0.000 1.090 379 F CA 0.348 58.203 58.000 -0.242 0.000 1.408 379 F CB -0.348 38.615 39.000 -0.061 0.000 1.060 379 F HN 0.222 nan 8.300 nan 0.000 0.534 380 R N 0.961 120.902 120.500 -0.932 0.000 2.105 380 R HA -0.156 4.183 4.340 -0.002 0.000 0.239 380 R C 0.414 176.549 176.300 -0.275 0.000 1.135 380 R CA 1.646 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 -1.607 118.650 120.400 -0.238 0.000 2.772 381 D HA 0.018 4.657 4.640 -0.002 0.000 0.272 381 D C -0.550 175.653 176.300 -0.162 0.000 1.314 381 D CA -0.493 53.417 54.000 -0.150 0.000 0.835 381 D CB -0.794 39.949 40.800 -0.095 0.000 1.080 381 D HN 0.122 nan 8.370 nan 0.000 0.482 382 N N 1.070 119.595 118.700 -0.292 0.000 2.727 382 N HA -0.283 4.455 4.740 -0.002 0.000 0.249 382 N C -0.671 174.620 175.510 -0.364 0.000 1.048 382 N CA 0.308 53.084 53.050 -0.456 0.000 0.714 382 N CB -0.881 37.480 38.487 -0.211 0.000 0.959 382 N HN 0.220 nan 8.380 nan 0.000 0.544 383 F N -4.641 115.313 119.950 0.006 0.000 2.840 383 F HA -0.329 4.197 4.527 -0.002 0.000 0.310 383 F C 1.693 177.499 175.800 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 0.308 nan 8.300 nan 0.000 0.335 384 A N -1.057 121.833 122.820 0.116 0.000 1.898 384 A HA -0.030 4.289 4.320 -0.002 0.000 0.216 384 A C 1.477 179.134 177.584 0.122 0.000 1.181 384 A CA 1.914 54.017 52.037 0.110 0.000 0.620 384 A CB -0.487 18.542 19.000 0.048 0.000 0.819 384 A HN 0.348 nan 8.150 nan 0.000 0.442 385 T N 1.034 115.630 114.554 0.069 0.000 2.738 385 T HA 0.441 4.790 4.350 -0.002 0.000 0.293 385 T C -0.259 174.488 174.700 0.077 0.000 0.913 385 T CA 0.591 62.719 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 3.552 119.317 115.700 0.108 0.000 2.537 386 S HA 0.708 5.177 4.470 -0.002 0.000 0.271 386 S C -1.815 172.869 174.600 0.140 0.000 1.148 386 S CA -0.881 57.400 58.200 0.136 0.000 0.868 386 S CB 1.131 64.465 63.200 0.224 0.000 1.115 386 S HN 0.660 nan 8.310 nan 0.000 0.461 387 L N 4.157 125.471 121.223 0.150 0.000 2.438 387 L HA 0.873 5.212 4.340 -0.002 0.000 0.270 387 L C -1.806 175.189 176.870 0.208 0.000 0.972 387 L CA -0.487 54.448 54.840 0.158 0.000 0.831 387 L CB 1.741 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 2.906 122.938 119.914 0.196 0.000 2.577 388 V HA 0.598 4.717 4.120 -0.002 0.000 0.303 388 V C -0.470 175.657 176.094 0.056 0.000 1.042 388 V CA -0.405 61.979 62.300 0.141 0.000 0.872 388 V CB 2.095 33.997 31.823 0.131 0.000 0.998 388 V HN 0.782 nan 8.190 nan 0.000 0.423 389 T N 4.767 119.259 114.554 -0.104 0.000 2.840 389 T HA 0.488 4.836 4.350 -0.002 0.000 0.287 389 T C -0.152 174.359 174.700 -0.314 0.000 0.991 389 T CA -0.644 61.291 62.100 -0.275 0.000 0.964 389 T CB 1.238 69.731 68.868 -0.625 0.000 0.954 389 T HN 0.533 nan 8.240 nan 0.000 0.438 390 R N 1.421 121.822 120.500 -0.165 0.000 2.531 390 R HA 0.708 5.047 4.340 -0.002 0.000 0.273 390 R C 0.070 176.300 176.300 -0.116 0.000 1.070 390 R CA -0.561 55.471 56.100 -0.114 0.000 1.112 390 R CB 0.849 31.124 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 4.779 4.320 -0.002 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 0.864 115.519 114.554 0.169 0.000 2.886 392 T HA 0.595 4.944 4.350 -0.002 0.000 0.292 392 T C -0.793 174.150 174.700 0.404 0.000 1.012 392 T CA -0.720 61.531 62.100 0.253 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 3.891 124.417 120.400 0.209 0.000 2.267 393 K HA 0.674 4.993 4.320 -0.002 0.000 0.246 393 K C -1.148 175.239 176.600 -0.355 0.000 0.954 393 K CA -1.212 55.105 56.287 0.050 0.000 0.824 393 K CB 1.785 34.282 32.500 -0.004 0.000 1.167 393 K HN 0.412 nan 8.250 nan 0.000 0.431 394 L N 3.418 124.150 121.223 -0.819 0.000 2.287 394 L HA 0.397 4.736 4.340 -0.002 0.000 0.287 394 L C -1.306 175.286 176.870 -0.463 0.000 1.022 394 L CA -0.699 53.543 54.840 -0.996 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 4.538 4.120 -0.002 0.000 0.291 395 V C -0.050 175.992 176.094 -0.086 0.000 1.024 395 V CA -0.684 61.482 62.300 -0.222 0.000 0.861 395 V CB 1.996 33.651 31.823 -0.280 0.000 0.985 395 V HN 0.508 nan 8.190 nan 0.000 0.436 396 V N 3.995 123.969 119.914 0.100 0.000 2.334 396 V HA 0.631 4.750 4.120 -0.002 0.000 0.281 396 V C 0.088 176.328 176.094 0.244 0.000 1.016 396 V CA -0.050 62.338 62.300 0.146 0.000 0.832 396 V CB 1.446 33.381 31.823 0.188 0.000 0.999 396 V HN 0.892 nan 8.190 nan 0.000 0.439 397 S N 4.251 120.055 115.700 0.175 0.000 2.632 397 S HA 0.874 5.343 4.470 -0.002 0.000 0.289 397 S C -1.067 173.588 174.600 0.091 0.000 1.115 397 S CA -0.570 57.677 58.200 0.079 0.000 0.889 397 S CB 2.161 65.337 63.200 -0.041 0.000 1.116 397 S HN 0.924 nan 8.310 nan 0.000 0.486 398 Q N 1.708 121.529 119.800 0.035 0.000 2.482 398 Q HA 0.711 5.049 4.340 -0.002 0.000 0.286 398 Q C -1.786 174.241 176.000 0.046 0.000 1.007 398 Q CA -0.946 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 2.657 123.294 120.570 0.112 0.000 2.512 399 I HA 0.495 4.664 4.170 -0.002 0.000 0.287 399 I C -1.212 175.021 176.117 0.193 0.000 1.069 399 I CA -0.887 60.443 61.300 0.050 0.000 1.056 399 I CB 1.384 39.382 38.000 -0.005 0.000 1.229 399 I HN 0.691 nan 8.210 nan 0.000 0.429 400 F N 3.128 123.163 119.950 0.142 0.000 2.538 400 F HA 0.802 5.328 4.527 -0.002 0.000 0.325 400 F C -0.513 175.389 175.800 0.171 0.000 1.066 400 F CA -0.804 57.292 58.000 0.160 0.000 0.946 400 F CB 1.483 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 2.297 117.084 114.554 0.387 0.000 2.779 401 T HA 0.675 5.024 4.350 -0.002 0.000 0.280 401 T C -0.397 174.475 174.700 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 70.167 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 0.255 0.000 2.801 402 A HA 0.757 5.076 4.320 -0.002 0.000 0.344 402 A C 1.181 178.750 177.584 -0.025 0.000 1.322 402 A CA 0.073 52.184 52.037 0.122 0.000 0.913 402 A CB -0.986 18.198 19.000 0.306 0.000 1.140 402 A HN 1.477 nan 8.150 nan 0.000 0.487 403 A N 1.858 124.640 122.820 -0.064 0.000 4.919 403 A HA -0.305 4.014 4.320 -0.002 0.000 0.331 403 A C 0.988 178.609 177.584 0.061 0.000 1.849 403 A CA 1.649 53.688 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 0.248 120.214 120.300 -0.557 0.000 2.328 407 Y HA 0.368 4.917 4.550 -0.002 0.000 0.333 407 Y C 0.014 175.632 175.900 -0.469 0.000 0.958 407 Y CA -0.701 57.045 58.100 -0.590 0.000 1.167 407 Y CB 1.390 39.239 38.460 -1.018 0.000 1.151 407 Y HN 0.482 nan 8.280 nan 0.000 0.470 408 C N 5.851 125.046 119.300 -0.174 0.000 2.255 408 C HA 0.577 5.036 4.460 -0.002 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 4.862 4.340 -0.002 0.000 0.286 409 L C -1.058 175.487 176.870 -0.542 0.000 1.023 409 L CA -0.442 54.197 54.840 -0.336 0.000 0.812 409 L CB 0.672 42.678 42.059 -0.087 0.000 1.223 409 L HN 0.594 nan 8.230 nan 0.000 0.421 410 Y N 0.800 120.961 120.300 -0.231 0.000 2.332 410 Y HA 0.316 4.865 4.550 -0.002 0.000 0.326 410 Y C -0.861 174.860 175.900 -0.298 0.000 0.978 410 Y CA -0.737 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 3.651 124.962 121.300 0.019 0.000 2.331 411 W HA 0.639 5.298 4.660 -0.002 0.000 0.306 411 W C -0.908 175.538 176.519 -0.122 0.000 1.162 411 W CA -0.745 56.538 57.345 -0.105 0.000 1.232 411 W CB 1.140 30.542 29.460 -0.098 0.000 1.235 411 W HN 0.140 nan 8.180 nan 0.000 0.479 412 V N 5.257 125.117 119.914 -0.090 0.000 2.409 412 V HA 0.411 4.530 4.120 -0.002 0.000 0.291 412 V C -0.578 175.341 176.094 -0.291 0.000 1.020 412 V CA -1.124 61.101 62.300 -0.125 0.000 0.848 412 V CB 0.668 32.422 31.823 -0.115 0.000 0.990 412 V HN 0.199 nan 8.190 nan 0.000 0.430 413 F N 4.614 124.433 119.950 -0.218 0.000 2.421 413 F HA 0.716 5.242 4.527 -0.002 0.000 0.337 413 F C 0.358 176.255 175.800 0.161 0.000 1.105 413 F CA -0.422 57.470 58.000 -0.179 0.000 1.049 413 F CB 1.656 40.433 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 0.542 0.000 2.662 414 M HA 0.317 4.796 4.480 -0.002 0.000 0.310 414 M C 0.552 177.269 176.300 0.695 0.000 1.204 414 M CA -0.626 55.017 55.300 0.571 0.000 0.891 414 M CB 2.130 34.907 32.600 0.294 0.000 1.732 414 M HN 0.572 nan 8.290 nan 0.000 0.467 415 Q N 0.793 120.874 119.800 0.470 0.000 2.515 415 Q HA -0.097 4.241 4.340 -0.002 0.000 0.212 415 Q C 0.192 176.291 176.000 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 28.740 28.738 0.116 0.000 0.998 415 Q HN 0.603 nan 8.270 nan 0.000 0.518 416 D N -1.631 118.884 120.400 0.191 0.000 2.363 416 D HA 0.078 4.717 4.640 -0.002 0.000 0.214 416 D C 1.111 177.445 176.300 0.057 0.000 1.093 416 D CA 0.525 54.579 54.000 0.090 0.000 0.837 416 D CB 0.372 41.238 40.800 0.111 0.000 0.948 416 D HN 0.192 nan 8.370 nan 0.000 0.507 417 G N -0.087 108.828 108.800 0.192 0.000 2.176 417 G HA2 -0.169 3.790 3.960 -0.002 0.000 0.253 417 G HA3 -0.169 3.790 3.960 -0.002 0.000 0.253 417 G C 0.524 175.770 174.900 0.577 0.000 0.979 417 G CA 0.148 45.408 45.100 0.267 0.000 0.641 417 G HN 0.818 nan 8.290 nan 0.000 0.530 418 A N -0.249 122.812 122.820 0.402 0.000 2.304 418 A HA 0.798 5.116 4.320 -0.002 0.000 0.271 418 A C 0.172 177.898 177.584 0.236 0.000 1.091 418 A CA -0.026 52.191 52.037 0.300 0.000 0.812 418 A CB 0.549 19.632 19.000 0.138 0.000 1.056 418 A HN 0.804 nan 8.150 nan 0.000 0.489 419 I N 0.907 121.531 120.570 0.090 0.000 2.466 419 I HA 0.465 4.634 4.170 -0.002 0.000 0.289 419 I C 0.146 176.153 176.117 -0.183 0.000 1.026 419 I CA -0.333 60.823 61.300 -0.241 0.000 1.078 419 I CB 1.893 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 6.152 126.503 120.500 -0.249 0.000 2.740 420 R HA 0.662 5.001 4.340 -0.002 0.000 0.282 420 R C -1.824 174.302 176.300 -0.290 0.000 0.969 420 R CA -0.725 55.246 56.100 -0.215 0.000 0.918 420 R CB 2.211 32.417 30.300 -0.155 0.000 1.175 420 R HN 0.582 nan 8.270 nan 0.000 0.464 421 L N 3.857 124.860 121.223 -0.367 0.000 2.319 421 L HA 0.461 4.800 4.340 -0.002 0.000 0.281 421 L C -1.492 175.133 176.870 -0.407 0.000 1.005 421 L CA -0.630 53.873 54.840 -0.562 0.000 0.828 421 L CB 1.643 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 6.119 126.338 120.400 -0.302 0.000 2.256 422 D HA 0.552 5.191 4.640 -0.002 0.000 0.246 422 D C -0.430 175.829 176.300 -0.068 0.000 1.042 422 D CA -0.036 53.866 54.000 -0.163 0.000 0.841 422 D CB 2.876 43.596 40.800 -0.134 0.000 1.223 422 D HN 0.359 nan 8.370 nan 0.000 0.470 423 I N 1.542 122.065 120.570 -0.077 0.000 2.545 423 I HA 0.368 4.537 4.170 -0.002 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 2.112 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 6.430 126.953 120.500 0.038 0.000 2.439 424 R HA 0.619 4.957 4.340 -0.002 0.000 0.310 424 R C -1.320 174.913 176.300 -0.112 0.000 0.955 424 R CA -0.832 55.258 56.100 -0.018 0.000 0.853 424 R CB 2.161 32.491 30.300 0.050 0.000 1.171 424 R HN 0.493 nan 8.270 nan 0.000 0.449 425 L N 2.094 123.204 121.223 -0.189 0.000 2.289 425 L HA 0.511 4.850 4.340 -0.002 0.000 0.285 425 L C 0.618 177.322 176.870 -0.276 0.000 1.049 425 L CA -0.229 54.408 54.840 -0.339 0.000 0.804 425 L CB 1.626 43.423 42.059 -0.436 0.000 1.195 425 L HN 0.655 nan 8.230 nan 0.000 0.428 426 T N 0.914 115.285 114.554 -0.306 0.000 2.598 426 T HA 0.816 5.165 4.350 -0.002 0.000 0.289 426 T C -0.096 174.459 174.700 -0.241 0.000 1.056 426 T CA 0.407 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 0.308 108.976 108.800 -0.221 0.000 2.466 427 G HA2 -0.023 3.936 3.960 -0.002 0.000 0.218 427 G HA3 -0.023 3.936 3.960 -0.002 0.000 0.218 427 G C -1.086 173.681 174.900 -0.222 0.000 1.237 427 G CA -0.197 44.771 45.100 -0.220 0.000 0.954 427 G HN 0.933 nan 8.290 nan 0.000 0.580 428 I N 0.859 121.295 120.570 -0.224 0.000 2.569 428 I HA 0.454 4.623 4.170 -0.002 0.000 0.296 428 I C 0.713 176.737 176.117 -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 0.037 4.376 4.340 -0.002 0.000 0.276 429 L C 0.855 177.754 176.870 0.048 0.000 1.213 429 L CA 0.226 55.134 54.840 0.114 0.000 0.843 429 L CB -0.011 42.178 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 0.106 0.000 2.497 430 N HA 0.110 4.849 4.740 -0.002 0.000 0.271 430 N C -0.800 174.786 175.510 0.128 0.000 1.142 430 N CA -0.151 52.981 53.050 0.136 0.000 0.965 430 N CB 0.984 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 0.670 115.357 114.554 0.222 0.000 2.906 431 T HA 0.436 4.785 4.350 -0.002 0.000 0.295 431 T C -1.088 173.690 174.700 0.131 0.000 1.061 431 T CA -0.735 61.452 62.100 0.145 0.000 1.000 431 T CB 1.584 70.592 68.868 0.234 0.000 1.103 431 T HN 0.487 nan 8.240 nan 0.000 0.486 432 Y N 1.274 121.438 120.300 -0.227 0.000 2.576 432 Y HA 0.682 5.231 4.550 -0.002 0.000 0.346 432 Y C -0.575 175.226 175.900 -0.165 0.000 1.018 432 Y CA -2.198 55.748 58.100 -0.256 0.000 1.050 432 Y CB 1.519 39.714 38.460 -0.442 0.000 1.280 432 Y HN 1.003 nan 8.280 nan 0.000 0.474 433 I N 4.466 124.424 120.570 -1.020 0.000 2.696 433 I HA 0.262 4.430 4.170 -0.002 0.000 0.284 433 I C -1.324 174.520 176.117 -0.455 0.000 1.129 433 I CA -0.310 60.601 61.300 -0.649 0.000 1.410 433 I CB 0.580 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 7.068 128.153 121.223 -0.230 0.000 2.409 434 L HA 0.634 4.972 4.340 -0.002 0.000 0.272 434 L C -0.000 176.822 176.870 -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 43.587 42.059 -0.074 0.000 1.268 434 L HN 0.628 nan 8.230 nan 0.000 0.407 435 G N 2.391 111.170 108.800 -0.036 0.000 2.594 435 G HA2 0.110 4.069 3.960 -0.002 0.000 0.243 435 G HA3 0.110 4.069 3.960 -0.002 0.000 0.243 435 G C 0.361 175.249 174.900 -0.020 0.000 1.229 435 G CA -0.164 44.922 45.100 -0.023 0.000 0.843 435 G HN 0.802 nan 8.290 nan 0.000 0.578 436 D N 0.252 120.645 120.400 -0.012 0.000 2.149 436 D HA -0.149 4.490 4.640 -0.002 0.000 0.198 436 D C 1.816 178.111 176.300 -0.010 0.000 0.990 436 D CA 1.661 55.657 54.000 -0.007 0.000 0.839 436 D CB 0.131 40.935 40.800 0.007 0.000 0.948 436 D HN 0.669 nan 8.370 nan 0.000 0.460 437 D N 0.243 120.641 120.400 -0.003 0.000 2.350 437 D HA -0.058 4.581 4.640 -0.002 0.000 0.213 437 D C 0.595 176.898 176.300 0.005 0.000 1.031 437 D CA -0.026 53.974 54.000 -0.000 0.000 0.861 437 D CB -0.136 40.667 40.800 0.004 0.000 0.926 437 D HN 0.178 nan 8.370 nan 0.000 0.520 438 E N 0.941 121.146 120.200 0.009 0.000 2.338 438 E HA 0.076 4.425 4.350 -0.002 0.000 0.272 438 E C -0.621 175.990 176.600 0.018 0.000 1.029 438 E CA -0.394 56.021 56.400 0.025 0.000 0.872 438 E CB 0.847 30.571 29.700 0.040 0.000 1.015 438 E HN -0.035 nan 8.360 nan 0.000 0.417 439 E N 2.841 123.056 120.200 0.025 0.000 2.200 439 E HA 0.220 4.569 4.350 -0.002 0.000 0.283 439 E C -0.163 176.457 176.600 0.033 0.000 1.015 439 E CA -0.050 56.356 56.400 0.010 0.000 0.819 439 E CB 1.374 31.069 29.700 -0.009 0.000 1.081 439 E HN 0.519 nan 8.360 nan 0.000 0.397 440 A N 4.344 127.181 122.820 0.028 0.000 2.259 440 A HA 0.237 4.556 4.320 -0.002 0.000 0.212 440 A C 1.362 178.976 177.584 0.049 0.000 1.178 440 A CA 0.843 52.924 52.037 0.073 0.000 0.734 440 A CB -1.515 17.520 19.000 0.057 0.000 0.774 440 A HN 1.068 nan 8.150 nan 0.000 0.481 441 G N 0.106 108.887 108.800 -0.033 0.000 2.581 441 G HA2 -0.288 3.671 3.960 -0.002 0.000 0.289 441 G HA3 -0.288 3.671 3.960 -0.002 0.000 0.289 441 G C -0.812 173.921 174.900 -0.278 0.000 1.303 441 G CA 0.269 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 1.100 178.217 177.300 -0.305 0.000 1.223 442 P CA 1.245 64.015 63.100 -0.549 0.000 0.796 442 P CB -0.064 31.149 31.700 -0.813 0.000 1.068 443 W N 0.765 122.119 121.300 0.090 0.000 2.905 443 W HA 0.340 5.000 4.660 -0.001 0.000 0.251 443 W C 1.094 177.720 176.519 0.179 0.000 1.305 443 W CA -0.073 57.334 57.345 0.103 0.000 1.465 443 W CB 0.222 29.694 29.460 0.021 0.000 1.122 443 W HN -0.002 nan 8.180 nan 0.000 0.659 444 G N -0.655 108.349 108.800 0.340 0.000 2.606 444 G HA2 0.513 4.472 3.960 -0.002 0.000 0.300 444 G HA3 0.513 4.472 3.960 -0.002 0.000 0.300 444 G C -1.475 173.529 174.900 0.173 0.000 1.360 444 G CA -0.641 44.649 45.100 0.318 0.000 0.783 444 G HN -0.294 nan 8.290 nan 0.000 0.484 445 T N 0.027 114.656 114.554 0.125 0.000 2.861 445 T HA 0.479 4.827 4.350 -0.002 0.000 0.287 445 T C -0.071 174.630 174.700 0.003 0.000 1.003 445 T CA -0.622 61.513 62.100 0.059 0.000 0.977 445 T CB 1.925 70.832 68.868 0.065 0.000 0.996 445 T HN 0.567 nan 8.240 nan 0.000 0.448 446 R N 2.828 123.319 120.500 -0.016 0.000 2.325 446 R HA 0.289 4.628 4.340 -0.002 0.000 0.323 446 R C 1.045 177.305 176.300 -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 4.382 4.120 -0.002 0.000 0.275 447 V C -0.225 175.847 176.094 -0.037 0.000 1.281 447 V CA 0.069 62.303 62.300 -0.111 0.000 1.143 447 V CB -0.951 30.730 31.823 -0.237 0.000 0.892 447 V HN 0.677 nan 8.190 nan 0.000 0.441 448 Y N -0.904 119.243 120.300 -0.254 0.000 2.687 448 Y HA 0.556 5.104 4.550 -0.002 0.000 0.338 448 Y C -3.165 172.603 175.900 -0.220 0.000 1.189 448 Y CA -2.239 55.758 58.100 -0.172 0.000 1.097 448 Y CB 1.552 39.934 38.460 -0.131 0.000 1.342 448 Y HN -0.124 nan 8.280 nan 0.000 0.461 449 P HA 0.102 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 63.882 63.100 -0.681 0.000 0.761 449 P CB 0.290 31.209 31.700 -1.302 0.000 0.795 450 N N -0.316 118.239 118.700 -0.242 0.000 2.753 450 N HA -0.134 4.605 4.740 -0.002 0.000 0.251 450 N C -0.816 174.604 175.510 -0.149 0.000 1.097 450 N CA 0.760 53.719 53.050 -0.153 0.000 0.786 450 N CB -1.470 36.949 38.487 -0.115 0.000 1.137 450 N HN 0.174 nan 8.380 nan 0.000 0.566 451 V N 1.179 121.008 119.914 -0.141 0.000 2.444 451 V HA 0.313 4.432 4.120 -0.002 0.000 0.294 451 V C 0.267 176.264 176.094 -0.162 0.000 1.022 451 V CA -0.799 61.409 62.300 -0.154 0.000 0.850 451 V CB 1.994 33.700 31.823 -0.195 0.000 0.992 451 V HN 0.197 nan 8.190 nan 0.000 0.426 452 N N 3.232 121.844 118.700 -0.147 0.000 2.476 452 N HA 0.632 5.371 4.740 -0.002 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 -0.112 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 4.566 4.320 -0.002 0.000 0.316 453 A C -0.576 177.086 177.584 0.129 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 2.145 121.344 119.070 0.215 0.000 2.790 454 H HA 0.055 4.610 4.556 -0.002 0.000 0.358 454 H C 0.229 175.764 175.328 0.346 0.000 1.103 454 H CA -0.383 55.842 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 2.858 121.783 118.700 0.376 0.000 2.453 455 N HA 0.023 4.762 4.740 -0.002 0.000 0.253 455 N C -0.140 175.334 175.510 -0.061 0.000 1.252 455 N CA 0.352 53.456 53.050 0.090 0.000 0.917 455 N CB 0.515 39.093 38.487 0.152 0.000 1.117 455 N HN 0.703 nan 8.380 nan 0.000 0.442 456 H N -1.977 116.803 119.070 -0.484 0.000 2.987 456 H HA 0.328 4.883 4.556 -0.002 0.000 0.316 456 H C -1.405 173.608 175.328 -0.526 0.000 1.380 456 H CA -0.764 54.853 56.048 -0.717 0.000 1.160 456 H CB 0.882 29.653 29.762 -1.651 0.000 1.865 456 H HN 0.411 nan 8.280 nan 0.000 0.521 457 Q N 0.485 120.031 119.800 -0.423 0.000 2.351 457 Q HA 0.387 4.725 4.340 -0.002 0.000 0.273 457 Q C -0.825 174.994 176.000 -0.302 0.000 1.077 457 Q CA -1.000 54.621 55.803 -0.304 0.000 0.843 457 Q CB 2.509 31.131 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 -0.068 0.000 2.762 458 H HA 0.404 4.959 4.556 -0.002 0.000 0.310 458 H C -1.007 174.186 175.328 -0.226 0.000 1.004 458 H CA -0.208 55.786 56.048 -0.090 0.000 1.267 458 H CB 0.695 30.527 29.762 0.117 0.000 1.437 458 H HN 0.363 nan 8.280 nan 0.000 0.498 459 L N 3.939 124.985 121.223 -0.295 0.000 2.346 459 L HA 0.473 4.812 4.340 -0.002 0.000 0.276 459 L C -0.792 175.826 176.870 -0.419 0.000 1.006 459 L CA -0.783 53.927 54.840 -0.215 0.000 0.817 459 L CB 1.374 43.396 42.059 -0.061 0.000 1.272 459 L HN 0.295 nan 8.230 nan 0.000 0.421 460 F N 0.016 119.816 119.950 -0.250 0.000 2.561 460 F HA 0.459 4.985 4.527 -0.002 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 -0.756 0.000 1.215 460 F HN 0.229 nan 8.300 nan 0.000 0.471 461 S N 3.177 118.783 115.700 -0.157 0.000 2.601 461 S HA 0.426 4.895 4.470 -0.002 0.000 0.312 461 S C -0.897 173.764 174.600 0.101 0.000 1.107 461 S CA -0.582 57.510 58.200 -0.180 0.000 1.129 461 S CB 0.026 62.680 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 0.306 0.000 2.361 462 L HA 0.446 4.785 4.340 -0.002 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 0.521 42.762 42.059 0.303 0.000 1.155 462 L HN 0.661 nan 8.230 nan 0.000 0.452 463 R N 6.359 126.789 120.500 -0.118 0.000 2.265 463 R HA 0.522 4.861 4.340 -0.002 0.000 0.328 463 R C -1.199 174.869 176.300 -0.386 0.000 0.969 463 R CA -0.526 55.270 56.100 -0.506 0.000 0.832 463 R CB 0.805 30.771 30.300 -0.556 0.000 1.139 463 R HN 0.636 nan 8.270 nan 0.000 0.457 464 I N 3.638 123.985 120.570 -0.373 0.000 2.362 464 I HA 0.173 4.342 4.170 -0.002 0.000 0.289 464 I C -0.599 175.399 176.117 -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 39.628 38.000 -0.375 0.000 1.315 464 I HN 0.517 nan 8.210 nan 0.000 0.451 465 D N 9.643 129.959 120.400 -0.139 0.000 2.473 465 D HA 0.319 4.958 4.640 -0.002 0.000 0.226 465 D C -2.520 173.836 176.300 0.092 0.000 1.089 465 D CA -2.049 51.954 54.000 0.004 0.000 0.883 465 D CB 1.429 42.264 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 -0.465 176.909 177.300 0.124 0.000 1.252 466 P CA -0.591 62.656 63.100 0.245 0.000 0.811 466 P CB 1.387 33.220 31.700 0.222 0.000 1.035 467 R N 1.848 122.403 120.500 0.092 0.000 2.533 467 R HA 0.243 4.582 4.340 -0.002 0.000 0.268 467 R C -0.232 176.079 176.300 0.018 0.000 1.303 467 R CA -0.342 55.783 56.100 0.042 0.000 1.429 467 R CB -0.216 30.120 30.300 0.061 0.000 1.361 467 R HN 0.278 nan 8.270 nan 0.000 0.745 468 I N 2.663 123.247 120.570 0.023 0.000 2.792 468 I HA -0.051 4.118 4.170 -0.002 0.000 0.284 468 I C 0.545 176.763 176.117 0.169 0.000 1.166 468 I CA 1.020 62.368 61.300 0.081 0.000 1.375 468 I CB -0.422 37.667 38.000 0.149 0.000 1.421 468 I HN 0.631 nan 8.210 nan 0.000 0.544 469 D N 4.931 125.485 120.400 0.256 0.000 2.811 469 D HA -0.150 4.489 4.640 -0.002 0.000 0.231 469 D C 0.553 176.880 176.300 0.046 0.000 1.157 469 D CA 1.662 55.738 54.000 0.126 0.000 0.716 469 D CB -0.691 40.084 40.800 -0.041 0.000 1.077 469 D HN 1.205 nan 8.370 nan 0.000 0.428 470 G N -1.037 107.795 108.800 0.053 0.000 2.373 470 G HA2 0.004 3.963 3.960 -0.002 0.000 0.634 470 G HA3 0.004 3.963 3.960 -0.002 0.000 0.634 470 G C -1.169 173.739 174.900 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 0.647 121.045 120.400 -0.004 0.000 2.264 471 D HA 0.529 5.167 4.640 -0.002 0.000 0.249 471 D C 0.812 177.102 176.300 -0.018 0.000 1.070 471 D CA 1.383 55.371 54.000 -0.019 0.000 0.912 471 D CB 1.269 42.051 40.800 -0.030 0.000 1.193 471 D HN 2.035 nan 8.370 nan 0.000 0.427 472 G N 1.518 110.303 108.800 -0.026 0.000 2.830 472 G HA2 -0.163 3.796 3.960 -0.002 0.000 0.298 472 G HA3 -0.163 3.796 3.960 -0.002 0.000 0.298 472 G C -0.700 174.171 174.900 -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 -0.339 118.323 118.700 -0.064 0.000 2.453 473 N HA 0.880 5.619 4.740 -0.002 0.000 0.290 473 N C -0.148 175.234 175.510 -0.212 0.000 1.250 473 N CA -0.351 52.623 53.050 -0.127 0.000 0.815 473 N CB 2.172 40.629 38.487 -0.050 0.000 1.381 473 N HN 0.449 nan 8.380 nan 0.000 0.510 474 S N -0.672 114.748 115.700 -0.467 0.000 2.651 474 S HA 0.929 5.397 4.470 -0.002 0.000 0.279 474 S C -1.199 173.155 174.600 -0.410 0.000 1.148 474 S CA -0.703 57.186 58.200 -0.519 0.000 0.837 474 S CB 2.046 64.721 63.200 -0.875 0.000 1.138 474 S HN 0.712 nan 8.310 nan 0.000 0.478 475 A N 0.261 123.061 122.820 -0.033 0.000 2.469 475 A HA 1.009 5.328 4.320 -0.002 0.000 0.299 475 A C -0.964 176.613 177.584 -0.012 0.000 1.098 475 A CA -0.536 51.652 52.037 0.251 0.000 0.737 475 A CB 1.542 20.889 19.000 0.577 0.000 1.312 475 A HN 1.433 nan 8.150 nan 0.000 0.414 476 A N -0.300 122.463 122.820 -0.095 0.000 2.610 476 A HA 0.885 5.204 4.320 -0.002 0.000 0.291 476 A C -0.478 176.949 177.584 -0.262 0.000 1.086 476 A CA 0.029 51.723 52.037 -0.572 0.000 0.677 476 A CB 0.917 19.862 19.000 -0.091 0.000 1.278 476 A HN 2.479 nan 8.150 nan 0.000 0.414 477 A N -0.186 122.467 122.820 -0.278 0.000 2.305 477 A HA 0.625 4.944 4.320 -0.002 0.000 0.322 477 A C -0.433 177.072 177.584 -0.131 0.000 1.187 477 A CA -0.358 51.630 52.037 -0.080 0.000 0.825 477 A CB 0.313 19.401 19.000 0.147 0.000 1.164 477 A HN 1.307 nan 8.150 nan 0.000 0.498 478 C N 2.312 121.497 119.300 -0.192 0.000 2.322 478 C HA 0.615 5.074 4.460 -0.002 0.000 0.324 478 C C -0.855 174.034 174.990 -0.169 0.000 1.249 478 C CA -0.887 58.050 59.018 -0.136 0.000 1.453 478 C CB 0.324 28.011 27.740 -0.089 0.000 2.145 478 C HN 0.788 nan 8.230 nan 0.000 0.466 479 D N 2.190 122.501 120.400 -0.149 0.000 2.391 479 D HA 0.503 5.142 4.640 -0.002 0.000 0.245 479 D C -0.223 175.958 176.300 -0.198 0.000 1.069 479 D CA 0.126 54.023 54.000 -0.171 0.000 0.831 479 D CB 2.157 42.866 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 4.771 4.320 -0.002 0.000 0.262 480 A C 0.109 177.549 177.584 -0.240 0.000 1.113 480 A CA 0.034 51.958 52.037 -0.189 0.000 0.790 480 A CB 0.387 19.286 19.000 -0.167 0.000 1.046 480 A HN 0.475 nan 8.150 nan 0.000 0.496 481 K N 1.513 121.724 120.400 -0.316 0.000 2.527 481 K HA 0.445 4.764 4.320 -0.002 0.000 0.260 481 K C -0.755 175.812 176.600 -0.055 0.000 0.937 481 K CA -0.617 55.521 56.287 -0.247 0.000 0.826 481 K CB 2.250 34.547 32.500 -0.339 0.000 1.359 481 K HN 0.618 nan 8.250 nan 0.000 0.434 482 S N 0.801 116.543 115.700 0.070 0.000 2.585 482 S HA 0.065 4.534 4.470 -0.002 0.000 0.273 482 S C 0.199 174.996 174.600 0.328 0.000 1.339 482 S CA -0.443 57.883 58.200 0.210 0.000 1.028 482 S CB 1.221 64.501 63.200 0.133 0.000 0.906 482 S HN 0.593 nan 8.310 nan 0.000 0.528 483 S N 2.616 118.536 115.700 0.367 0.000 2.563 483 S HA 0.088 4.556 4.470 -0.002 0.000 0.284 483 S C -1.180 173.554 174.600 0.223 0.000 1.331 483 S CA -1.036 57.366 58.200 0.337 0.000 1.047 483 S CB 0.298 63.658 63.200 0.266 0.000 0.859 483 S HN 0.569 nan 8.310 nan 0.000 0.514 484 P HA 0.009 nan 4.420 nan 0.000 0.229 484 P C -0.259 176.969 177.300 -0.120 0.000 1.160 484 P CA 0.511 63.595 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 2.947 123.269 120.300 0.035 0.000 2.425 485 Y HA 0.154 4.703 4.550 -0.002 0.000 0.331 485 Y C -1.244 174.672 175.900 0.027 0.000 1.157 485 Y CA -2.126 55.986 58.100 0.020 0.000 1.372 485 Y CB -0.384 38.080 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 -0.490 62.663 63.100 0.088 0.000 0.795 486 P CB 1.208 32.940 31.700 0.053 0.000 1.006 487 L N 0.935 122.191 121.223 0.054 0.000 2.525 487 L HA 0.100 4.439 4.340 -0.002 0.000 0.278 487 L C 1.490 178.357 176.870 -0.004 0.000 1.218 487 L CA 1.927 56.784 54.840 0.029 0.000 0.878 487 L CB -0.621 41.454 42.059 0.026 0.000 1.127 487 L HN 0.914 nan 8.230 nan 0.000 0.492 488 G N 2.496 111.264 108.800 -0.054 0.000 2.195 488 G HA2 -0.285 3.674 3.960 -0.002 0.000 0.246 488 G HA3 -0.285 3.674 3.960 -0.002 0.000 0.246 488 G C 0.284 175.150 174.900 -0.056 0.000 0.984 488 G CA 0.345 45.397 45.100 -0.081 0.000 0.633 488 G HN 0.937 nan 8.290 nan 0.000 0.525 489 S N 0.328 116.020 115.700 -0.014 0.000 2.617 489 S HA 0.628 5.096 4.470 -0.002 0.000 0.269 489 S C -0.939 173.634 174.600 -0.045 0.000 1.292 489 S CA -0.565 57.638 58.200 0.004 0.000 1.010 489 S CB 2.199 65.454 63.200 0.093 0.000 0.944 489 S HN -0.013 nan 8.310 nan 0.000 0.536 490 P HA -0.041 nan 4.420 nan 0.000 0.218 490 P C 0.707 177.934 177.300 -0.121 0.000 1.148 490 P CA 1.083 64.133 63.100 -0.084 0.000 0.822 490 P CB 0.003 31.656 31.700 -0.079 0.000 0.784 491 E N -1.747 118.331 120.200 -0.204 0.000 2.358 491 E HA -0.026 4.323 4.350 -0.002 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 -0.897 0.000 0.795 491 E HN 0.094 nan 8.360 nan 0.000 0.504 492 N N -0.381 118.294 118.700 -0.041 0.000 2.639 492 N HA 0.078 4.817 4.740 -0.002 0.000 0.265 492 N C 0.202 175.726 175.510 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 -0.082 nan 8.380 nan 0.000 0.510 493 M N 0.380 119.964 119.600 -0.028 0.000 2.089 493 M HA -0.113 4.365 4.480 -0.002 0.000 0.257 493 M C 0.198 176.307 176.300 -0.318 0.000 1.071 493 M CA 2.080 57.259 55.300 -0.203 0.000 1.096 493 M CB -0.375 32.045 32.600 -0.299 0.000 1.330 493 M HN 0.386 nan 8.290 nan 0.000 0.403 494 Y N -0.663 119.651 120.300 0.022 0.000 2.524 494 Y HA 0.449 4.998 4.550 -0.002 0.000 0.266 494 Y C 1.479 177.405 175.900 0.044 0.000 1.180 494 Y CA 0.039 58.156 58.100 0.029 0.000 1.244 494 Y CB -0.472 38.002 38.460 0.023 0.000 1.125 494 Y HN 0.453 nan 8.280 nan 0.000 0.524 495 G N 1.488 110.376 108.800 0.146 0.000 2.203 495 G HA2 -0.400 3.559 3.960 -0.002 0.000 0.263 495 G HA3 -0.400 3.559 3.960 -0.002 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 -0.094 118.711 118.700 0.174 0.000 2.299 496 N HA 0.369 5.108 4.740 -0.002 0.000 0.187 496 N C 1.057 176.698 175.510 0.218 0.000 1.099 496 N CA 0.668 53.830 53.050 0.187 0.000 0.867 496 N CB 0.019 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 1.038 123.961 122.820 0.170 0.000 2.520 497 A HA 0.418 4.737 4.320 -0.002 0.000 0.245 497 A C -0.425 177.328 177.584 0.282 0.000 1.072 497 A CA -0.169 51.950 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 0.477 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 0.741 5.267 4.527 -0.002 0.000 0.308 498 F C -1.053 174.889 175.800 0.236 0.000 1.108 498 F CA -1.496 56.613 58.000 0.182 0.000 0.957 498 F CB 0.813 39.854 39.000 0.068 0.000 1.309 498 F HN 0.762 nan 8.300 nan 0.000 0.446 499 Y N -0.373 120.093 120.300 0.277 0.000 2.818 499 Y HA 0.803 5.351 4.550 -0.002 0.000 0.322 499 Y C -1.364 174.644 175.900 0.179 0.000 1.323 499 Y CA -1.886 56.300 58.100 0.143 0.000 1.090 499 Y CB 0.962 39.456 38.460 0.056 0.000 1.328 499 Y HN 0.801 nan 8.280 nan 0.000 0.482 500 S N 0.735 116.464 115.700 0.049 0.000 2.438 500 S HA 0.271 4.740 4.470 -0.002 0.000 0.316 500 S C -0.983 173.596 174.600 -0.036 0.000 1.084 500 S CA -0.600 57.558 58.200 -0.071 0.000 1.107 500 S CB 0.158 63.374 63.200 0.027 0.000 0.981 500 S HN 0.698 nan 8.310 nan 0.000 0.466 501 E N 4.183 124.271 120.200 -0.187 0.000 2.089 501 E HA 0.206 4.555 4.350 -0.002 0.000 0.284 501 E C -0.530 176.064 176.600 -0.011 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 3.433 123.842 120.400 0.014 0.000 2.213 502 K HA 0.238 4.557 4.320 -0.002 0.000 0.270 502 K C -1.197 175.396 176.600 -0.013 0.000 1.002 502 K CA -0.380 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 3.582 118.123 114.554 -0.022 0.000 2.893 503 T HA 0.109 4.458 4.350 -0.002 0.000 0.324 503 T C -0.466 174.199 174.700 -0.058 0.000 1.082 503 T CA -0.645 61.472 62.100 0.029 0.000 0.983 503 T CB 0.769 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 1.203 115.763 114.554 0.010 0.000 2.884 504 T HA 0.485 4.834 4.350 -0.002 0.000 0.298 504 T C -0.053 174.725 174.700 0.129 0.000 0.998 504 T CA -0.636 61.480 62.100 0.027 0.000 1.124 504 T CB -0.050 68.954 68.868 0.227 0.000 0.931 504 T HN 0.198 nan 8.240 nan 0.000 0.531 505 F N 2.522 122.599 119.950 0.212 0.000 2.472 505 F HA 0.393 4.919 4.527 -0.002 0.000 0.364 505 F C 1.439 177.308 175.800 0.115 0.000 1.090 505 F CA -1.333 56.757 58.000 0.150 0.000 1.188 505 F CB 0.644 39.733 39.000 0.148 0.000 1.105 505 F HN 0.696 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 4.374 4.320 -0.002 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 0.267 32.847 32.500 0.134 0.000 0.792 506 K HN 0.585 nan 8.250 nan 0.000 0.463 507 T N -0.772 113.857 114.554 0.124 0.000 2.916 507 T HA 0.208 4.557 4.350 -0.002 0.000 0.292 507 T C 1.201 175.928 174.700 0.045 0.000 1.064 507 T CA -0.791 61.354 62.100 0.076 0.000 1.011 507 T CB 1.714 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 3.956 4.120 -0.002 0.000 0.251 508 V C 2.687 178.723 176.094 -0.097 0.000 1.062 508 V CA 2.465 64.751 62.300 -0.024 0.000 1.038 508 V CB -0.647 31.173 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 4.053 4.320 -0.002 0.000 0.208 509 K C 1.798 178.313 176.600 -0.142 0.000 1.047 509 K CA 2.033 58.262 56.287 -0.097 0.000 0.928 509 K CB -0.287 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 0.022 120.358 120.400 -0.105 0.000 2.178 510 D HA -0.130 4.509 4.640 -0.002 0.000 0.201 510 D C 1.942 177.917 176.300 -0.541 0.000 0.980 510 D CA 1.565 55.497 54.000 -0.113 0.000 0.842 510 D CB -0.093 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 -0.808 0.000 2.461 511 S HA -0.045 4.423 4.470 -0.002 0.000 0.228 511 S C 1.304 175.445 174.600 -0.765 0.000 1.005 511 S CA -0.069 57.258 58.200 -1.455 0.000 0.942 511 S CB -0.527 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 3.782 124.697 121.223 -0.514 0.000 2.617 512 L HA 0.245 4.583 4.340 -0.002 0.000 0.282 512 L C 0.328 177.053 176.870 -0.240 0.000 1.174 512 L CA -0.161 54.346 54.840 -0.555 0.000 1.016 512 L CB -1.067 40.481 42.059 -0.852 0.000 1.337 512 L HN 0.408 nan 8.230 nan 0.000 0.460 513 T N -1.062 113.506 114.554 0.023 0.000 2.896 513 T HA 0.534 4.883 4.350 -0.002 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 2.449 71.593 68.868 0.459 0.000 1.159 513 T HN 0.217 nan 8.240 nan 0.000 0.499 514 N N 0.047 119.034 118.700 0.479 0.000 2.362 514 N HA 0.350 5.089 4.740 -0.002 0.000 0.299 514 N C -1.273 174.604 175.510 0.612 0.000 1.170 514 N CA -0.621 52.728 53.050 0.500 0.000 0.825 514 N CB 1.366 40.030 38.487 0.295 0.000 1.299 514 N HN 0.766 nan 8.380 nan 0.000 0.502 515 Y N 0.972 121.627 120.300 0.592 0.000 2.497 515 Y HA 0.042 4.591 4.550 -0.002 0.000 0.334 515 Y C -0.254 175.769 175.900 0.205 0.000 1.199 515 Y CA 0.497 58.872 58.100 0.459 0.000 1.425 515 Y CB 0.530 39.281 38.460 0.484 0.000 1.291 515 Y HN 0.298 nan 8.280 nan 0.000 0.562 516 E N 3.404 123.094 120.200 -0.851 0.000 2.244 516 E HA 0.140 4.488 4.350 -0.002 0.000 0.260 516 E C 0.347 176.437 176.600 -0.851 0.000 0.884 516 E CA -0.013 56.023 56.400 -0.606 0.000 0.777 516 E CB 1.664 31.185 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 4.353 4.470 -0.002 0.000 0.231 517 S C 1.801 176.296 174.600 -0.175 0.000 1.014 517 S CA 0.826 58.864 58.200 -0.270 0.000 0.965 517 S CB -0.020 63.169 63.200 -0.020 0.000 0.785 517 S HN 0.461 nan 8.310 nan 0.000 0.495 518 A N 1.839 124.559 122.820 -0.167 0.000 2.070 518 A HA 0.016 4.334 4.320 -0.002 0.000 0.220 518 A C 2.247 179.749 177.584 -0.136 0.000 1.159 518 A CA 1.708 53.674 52.037 -0.118 0.000 0.656 518 A CB -0.883 18.062 19.000 -0.092 0.000 0.800 518 A HN 0.782 nan 8.150 nan 0.000 0.453 519 T N -5.777 108.667 114.554 -0.183 0.000 3.111 519 T HA 0.429 4.778 4.350 -0.002 0.000 0.284 519 T C 1.091 175.686 174.700 -0.175 0.000 0.983 519 T CA 0.930 62.923 62.100 -0.177 0.000 0.900 519 T CB -0.028 68.733 68.868 -0.179 0.000 1.132 519 T HN 1.630 nan 8.240 nan 0.000 0.531 520 G N 2.803 111.501 108.800 -0.170 0.000 2.356 520 G HA2 -0.348 3.611 3.960 -0.002 0.000 0.296 520 G HA3 -0.348 3.611 3.960 -0.002 0.000 0.296 520 G C 0.036 174.909 174.900 -0.045 0.000 1.022 520 G CA 0.313 45.384 45.100 -0.048 0.000 0.961 520 G HN 0.929 nan 8.290 nan 0.000 0.510 521 R N 0.109 120.480 120.500 -0.215 0.000 2.537 521 R HA 0.336 4.674 4.340 -0.002 0.000 0.281 521 R C 0.842 176.988 176.300 -0.257 0.000 0.988 521 R CA 0.946 56.862 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 3.928 119.415 115.700 -0.355 0.000 2.667 522 S HA 0.610 5.079 4.470 -0.002 0.000 0.292 522 S C -1.145 173.288 174.600 -0.279 0.000 1.126 522 S CA -1.027 57.064 58.200 -0.182 0.000 0.881 522 S CB 1.456 64.661 63.200 0.007 0.000 1.132 522 S HN 0.627 nan 8.310 nan 0.000 0.492 523 W N 0.525 121.923 121.300 0.162 0.000 2.819 523 W HA 0.445 5.104 4.660 -0.002 0.000 0.337 523 W C -1.376 175.229 176.519 0.144 0.000 1.077 523 W CA -0.436 57.038 57.345 0.215 0.000 1.226 523 W CB 2.142 31.856 29.460 0.423 0.000 1.419 523 W HN 0.630 nan 8.180 nan 0.000 0.502 524 D N 2.035 122.658 120.400 0.371 0.000 2.248 524 D HA 0.528 5.167 4.640 -0.002 0.000 0.246 524 D C -0.482 176.070 176.300 0.420 0.000 1.027 524 D CA -0.365 53.822 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 3.182 123.956 120.570 0.341 0.000 2.411 525 I HA 0.361 4.530 4.170 -0.002 0.000 0.284 525 I C -0.734 175.598 176.117 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 38.451 38.000 0.126 0.000 1.261 525 I HN 0.230 nan 8.210 nan 0.000 0.448 526 F N 3.554 123.581 119.950 0.129 0.000 2.664 526 F HA 0.541 5.067 4.527 -0.002 0.000 0.329 526 F C -0.726 175.131 175.800 0.096 0.000 1.090 526 F CA -1.514 56.555 58.000 0.116 0.000 0.978 526 F CB 1.306 40.357 39.000 0.086 0.000 1.378 526 F HN 0.254 nan 8.300 nan 0.000 0.495 527 N N 1.956 120.794 118.700 0.229 0.000 2.558 527 N HA 0.368 5.106 4.740 -0.002 0.000 0.242 527 N C -2.085 173.531 175.510 0.177 0.000 0.979 527 N CA -2.160 50.944 53.050 0.090 0.000 0.931 527 N CB 1.389 39.927 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 4.798 4.740 -0.002 0.000 0.188 529 N C 0.572 176.095 175.510 0.021 0.000 1.122 529 N CA 0.524 53.593 53.050 0.031 0.000 0.866 529 N CB 0.502 38.997 38.487 0.013 0.000 0.970 529 N HN 0.367 nan 8.380 nan 0.000 0.462 530 K N 0.190 120.607 120.400 0.029 0.000 2.433 530 K HA 0.654 4.973 4.320 -0.002 0.000 0.252 530 K C -0.995 175.606 176.600 0.003 0.000 1.015 530 K CA -0.746 55.541 56.287 -0.001 0.000 0.860 530 K CB 2.992 35.473 32.500 -0.031 0.000 1.359 530 K HN -0.319 nan 8.250 nan 0.000 0.452 531 V N 0.725 120.623 119.914 -0.026 0.000 2.888 531 V HA 0.240 4.359 4.120 -0.002 0.000 0.309 531 V C -0.764 175.299 176.094 -0.051 0.000 1.114 531 V CA -1.177 61.105 62.300 -0.029 0.000 0.940 531 V CB 1.950 33.760 31.823 -0.021 0.000 1.021 531 V HN 0.764 nan 8.190 nan 0.000 0.426 532 N N 5.155 123.832 118.700 -0.038 0.000 2.470 532 N HA 0.183 4.922 4.740 -0.002 0.000 0.268 532 N C -1.407 174.082 175.510 -0.035 0.000 1.136 532 N CA -1.381 51.644 53.050 -0.042 0.000 0.961 532 N CB 2.098 40.613 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 0.437 177.799 177.300 0.103 0.000 1.145 533 P CA 1.323 64.383 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 4.550 4.550 -0.002 0.000 0.290 534 Y C 2.970 178.885 175.900 0.025 0.000 1.137 534 Y CA 0.889 58.999 58.100 0.016 0.000 1.147 534 Y CB -1.434 37.039 38.460 0.020 0.000 1.104 534 Y HN 0.042 nan 8.280 nan 0.000 0.514 535 S N -0.783 115.062 115.700 0.241 0.000 2.453 535 S HA 0.123 4.592 4.470 -0.002 0.000 0.231 535 S C 1.910 176.541 174.600 0.051 0.000 1.005 535 S CA 0.867 59.165 58.200 0.163 0.000 0.949 535 S CB -0.563 62.823 63.200 0.310 0.000 0.774 535 S HN 0.693 nan 8.310 nan 0.000 0.510 536 G N 0.919 109.739 108.800 0.034 0.000 2.162 536 G HA2 -0.209 3.749 3.960 -0.002 0.000 0.260 536 G HA3 -0.209 3.749 3.960 -0.002 0.000 0.260 536 G C -0.047 174.806 174.900 -0.079 0.000 0.976 536 G CA 0.392 45.482 45.100 -0.016 0.000 0.655 536 G HN 0.527 nan 8.290 nan 0.000 0.533 537 K N 0.788 121.098 120.400 -0.150 0.000 2.118 537 K HA 0.540 4.859 4.320 -0.002 0.000 0.254 537 K C -2.299 174.201 176.600 -0.166 0.000 0.961 537 K CA -2.226 53.891 56.287 -0.284 0.000 0.876 537 K CB 1.787 33.837 32.500 -0.750 0.000 1.077 537 K HN 0.129 nan 8.250 nan 0.000 0.440 538 P HA 0.123 nan 4.420 nan 0.000 0.271 538 P C -2.493 174.846 177.300 0.066 0.000 1.218 538 P CA -1.238 61.870 63.100 0.014 0.000 0.780 538 P CB -0.198 31.588 31.700 0.144 0.000 0.901 539 P HA 0.051 nan 4.420 nan 0.000 0.271 539 P C -0.266 177.218 177.300 0.306 0.000 1.216 539 P CA 0.386 63.567 63.100 0.136 0.000 0.776 539 P CB 0.611 32.270 31.700 -0.068 0.000 0.881 540 S N 1.864 117.776 115.700 0.354 0.000 2.615 540 S HA 0.563 5.032 4.470 -0.002 0.000 0.269 540 S C -1.861 172.861 174.600 0.203 0.000 1.161 540 S CA -0.676 57.728 58.200 0.341 0.000 0.817 540 S CB 1.048 64.421 63.200 0.288 0.000 1.131 540 S HN 0.283 nan 8.310 nan 0.000 0.467 541 Y N 0.949 121.288 120.300 0.067 0.000 2.350 541 Y HA 0.598 5.147 4.550 -0.002 0.000 0.338 541 Y C 0.041 175.979 175.900 0.064 0.000 0.961 541 Y CA -0.501 57.598 58.100 -0.003 0.000 1.100 541 Y CB 1.958 40.381 38.460 -0.062 0.000 1.179 541 Y HN 0.852 nan 8.280 nan 0.000 0.454 542 K N 4.432 124.871 120.400 0.065 0.000 2.185 542 K HA 0.457 4.776 4.320 -0.002 0.000 0.269 542 K C -1.393 175.260 176.600 0.088 0.000 0.987 542 K CA -0.896 55.447 56.287 0.093 0.000 0.865 542 K CB 0.899 33.431 32.500 0.054 0.000 1.090 542 K HN 0.638 nan 8.250 nan 0.000 0.450 543 L N 5.732 127.021 121.223 0.110 0.000 2.278 543 L HA 0.245 4.584 4.340 -0.002 0.000 0.287 543 L C -1.324 175.634 176.870 0.146 0.000 1.072 543 L CA -0.035 54.843 54.840 0.064 0.000 0.819 543 L CB 1.151 43.203 42.059 -0.011 0.000 1.176 543 L HN 0.359 nan 8.230 nan 0.000 0.435 544 V N 5.027 124.978 119.914 0.062 0.000 2.293 544 V HA 0.535 4.654 4.120 -0.002 0.000 0.275 544 V C -0.018 176.089 176.094 0.022 0.000 1.021 544 V CA -0.219 62.118 62.300 0.061 0.000 0.815 544 V CB 0.832 32.669 31.823 0.023 0.000 1.025 544 V HN 0.849 nan 8.190 nan 0.000 0.448 545 S N 2.800 118.541 115.700 0.068 0.000 2.677 545 S HA 0.458 4.927 4.470 -0.002 0.000 0.283 545 S C 0.319 174.838 174.600 -0.134 0.000 1.159 545 S CA -0.050 58.172 58.200 0.036 0.000 1.001 545 S CB 2.103 65.414 63.200 0.186 0.000 1.032 545 S HN 0.709 nan 8.310 nan 0.000 0.487 546 T N 3.063 117.474 114.554 -0.237 0.000 2.959 546 T HA 0.255 4.604 4.350 -0.002 0.000 0.254 546 T C 0.156 174.709 174.700 -0.245 0.000 1.003 546 T CA 0.357 62.123 62.100 -0.558 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 1.311 121.095 119.800 -0.028 0.000 2.844 547 Q HA 0.280 4.618 4.340 -0.002 0.000 0.235 547 Q C -0.945 175.164 176.000 0.181 0.000 1.336 547 Q CA -0.337 55.519 55.803 0.089 0.000 1.026 547 Q CB -0.266 28.545 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 4.828 4.460 -0.002 0.000 0.255 548 C C -2.130 172.999 174.990 0.233 0.000 1.141 548 C CA -1.947 57.222 59.018 0.253 0.000 1.554 548 C CB -0.521 27.451 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 -2.194 175.163 177.300 0.094 0.000 1.228 549 P CA -0.677 62.495 63.100 0.119 0.000 0.786 549 P CB 0.172 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 -0.756 176.534 177.300 -0.017 0.000 1.244 550 P CA -0.462 62.660 63.100 0.037 0.000 0.801 550 P CB 0.629 32.353 31.700 0.040 0.000 1.006 551 L N 2.537 123.717 121.223 -0.071 0.000 2.418 551 L HA 0.062 4.400 4.340 -0.002 0.000 0.274 551 L C 1.149 177.964 176.870 -0.092 0.000 1.135 551 L CA 0.347 55.117 54.840 -0.117 0.000 0.870 551 L CB -0.500 41.448 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 4.487 4.340 -0.002 0.000 0.208 552 L C 1.401 178.230 176.870 -0.070 0.000 1.096 552 L CA 0.448 55.260 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 4.448 4.320 -0.002 0.000 0.239 553 A C 0.257 177.764 177.584 -0.127 0.000 1.068 553 A CA 0.015 51.974 52.037 -0.129 0.000 0.766 553 A CB 0.045 18.942 19.000 -0.172 0.000 1.003 553 A HN 0.178 nan 8.150 nan 0.000 0.497 554 K N 1.196 121.527 120.400 -0.116 0.000 2.138 554 K HA 0.196 4.515 4.320 -0.002 0.000 0.251 554 K C -0.028 176.497 176.600 -0.125 0.000 1.015 554 K CA -0.156 56.068 56.287 -0.105 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 0.002 120.136 120.200 -0.110 0.000 2.414 555 E HA 0.015 4.364 4.350 -0.002 0.000 0.263 555 E C 0.747 177.276 176.600 -0.118 0.000 1.000 555 E CA 0.654 56.984 56.400 -0.117 0.000 0.914 555 E CB 0.373 30.018 29.700 -0.091 0.000 0.948 555 E HN 0.826 nan 8.360 nan 0.000 0.444 556 G N 2.540 111.256 108.800 -0.139 0.000 2.195 556 G HA2 -0.338 3.621 3.960 -0.002 0.000 0.246 556 G HA3 -0.338 3.621 3.960 -0.002 0.000 0.246 556 G C 0.407 175.209 174.900 -0.163 0.000 0.984 556 G CA 0.309 45.324 45.100 -0.141 0.000 0.633 556 G HN 0.690 nan 8.290 nan 0.000 0.525 557 S N 0.059 115.653 115.700 -0.176 0.000 2.593 557 S HA 0.634 5.103 4.470 -0.002 0.000 0.269 557 S C 1.701 176.147 174.600 -0.256 0.000 1.334 557 S CA -0.086 57.997 58.200 -0.195 0.000 1.015 557 S CB 1.369 64.453 63.200 -0.194 0.000 0.912 557 S HN 0.416 nan 8.310 nan 0.000 0.541 558 L N 1.494 122.553 121.223 -0.275 0.000 2.042 558 L HA -0.131 4.208 4.340 -0.002 0.000 0.210 558 L C 2.648 179.253 176.870 -0.442 0.000 1.076 558 L CA 1.183 55.815 54.840 -0.348 0.000 0.749 558 L CB -0.916 40.958 42.059 -0.309 0.000 0.893 558 L HN 0.632 nan 8.230 nan 0.000 0.432 559 V N 0.187 119.810 119.914 -0.484 0.000 2.255 559 V HA -0.340 3.779 4.120 -0.002 0.000 0.247 559 V C 2.760 178.644 176.094 -0.349 0.000 1.051 559 V CA 2.051 64.094 62.300 -0.429 0.000 1.018 559 V CB -0.964 30.654 31.823 -0.341 0.000 0.641 559 V HN 0.515 nan 8.190 nan 0.000 0.445 560 A N -0.540 122.091 122.820 -0.315 0.000 1.933 560 A HA -0.205 4.114 4.320 -0.002 0.000 0.218 560 A C 2.278 179.677 177.584 -0.309 0.000 1.175 560 A CA 1.784 53.640 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 -0.658 119.541 120.400 -0.335 0.000 2.103 561 K HA -0.035 4.283 4.320 -0.002 0.000 0.204 561 K C 2.045 178.339 176.600 -0.510 0.000 1.052 561 K CA 1.107 57.158 56.287 -0.394 0.000 0.945 561 K CB -0.119 32.113 32.500 -0.446 0.000 0.722 561 K HN 0.392 nan 8.250 nan 0.000 0.443 562 R N 0.220 120.438 120.500 -0.471 0.000 2.240 562 R HA 0.084 4.423 4.340 -0.002 0.000 0.203 562 R C 0.610 176.878 176.300 -0.054 0.000 1.011 562 R CA 0.502 56.385 56.100 -0.361 0.000 1.007 562 R CB 0.372 30.559 30.300 -0.188 0.000 0.911 562 R HN -0.007 nan 8.270 nan 0.000 0.468 563 A N 1.578 124.249 122.820 -0.249 0.000 3.204 563 A HA 0.283 4.602 4.320 -0.002 0.000 0.327 563 A C -1.995 175.175 177.584 -0.690 0.000 0.998 563 A CA -1.192 50.525 52.037 -0.534 0.000 0.891 563 A CB 0.532 19.047 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 1.329 178.532 177.300 -0.162 0.000 1.145 564 P CA 1.081 64.060 63.100 -0.202 0.000 0.795 564 P CB -0.200 31.459 31.700 -0.068 0.000 0.775 565 W N 0.036 121.296 121.300 -0.068 0.000 2.467 565 W HA 0.248 4.907 4.660 -0.001 0.000 0.275 565 W C 1.597 178.119 176.519 0.005 0.000 1.239 565 W CA 0.573 57.893 57.345 -0.041 0.000 1.266 565 W CB -1.687 27.733 29.460 -0.066 0.000 1.112 565 W HN -0.084 nan 8.180 nan 0.000 0.576 566 A N 1.288 123.654 122.820 -0.757 0.000 2.119 566 A HA -0.065 4.254 4.320 -0.002 0.000 0.217 566 A C 2.108 179.524 177.584 -0.280 0.000 1.153 566 A CA 1.557 53.222 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 -0.638 114.908 115.700 -0.257 0.000 2.442 567 S HA -0.037 4.432 4.470 -0.002 0.000 0.236 567 S C 0.290 174.635 174.600 -0.425 0.000 1.007 567 S CA 0.876 58.890 58.200 -0.309 0.000 0.965 567 S CB -0.268 62.745 63.200 -0.311 0.000 0.773 567 S HN 0.800 nan 8.310 nan 0.000 0.504 568 H N -1.289 117.784 119.070 0.005 0.000 2.768 568 H HA 0.430 4.985 4.556 -0.002 0.000 0.371 568 H C 0.693 176.082 175.328 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 31.214 29.762 0.034 0.000 1.722 568 H HN -0.131 nan 8.280 nan 0.000 0.543 569 S N 0.567 116.430 115.700 0.272 0.000 2.402 569 S HA 0.017 4.486 4.470 -0.002 0.000 0.229 569 S C 0.441 175.125 174.600 0.140 0.000 1.021 569 S CA 0.624 58.967 58.200 0.238 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 2.520 122.445 119.914 0.017 0.000 2.709 570 V HA 0.436 4.555 4.120 -0.002 0.000 0.308 570 V C -1.077 174.894 176.094 -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 33.472 31.823 -0.711 0.000 1.003 570 V HN 0.235 nan 8.190 nan 0.000 0.425 571 N N 2.986 121.554 118.700 -0.220 0.000 2.430 571 N HA 0.553 5.292 4.740 -0.002 0.000 0.290 571 N C -1.464 173.974 175.510 -0.120 0.000 1.063 571 N CA -0.288 52.690 53.050 -0.121 0.000 0.883 571 N CB 2.715 41.235 38.487 0.054 0.000 1.465 571 N HN 0.348 nan 8.380 nan 0.000 0.493 572 V N 2.174 122.009 119.914 -0.132 0.000 2.444 572 V HA 0.518 4.637 4.120 -0.002 0.000 0.294 572 V C 0.233 176.370 176.094 0.071 0.000 1.022 572 V CA -0.756 61.541 62.300 -0.005 0.000 0.850 572 V CB 1.593 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 3.368 123.368 119.914 0.143 0.000 3.102 573 V HA 0.795 4.914 4.120 -0.002 0.000 0.312 573 V C -2.940 173.205 176.094 0.085 0.000 1.135 573 V CA -3.073 59.294 62.300 0.112 0.000 1.022 573 V CB 2.234 34.145 31.823 0.147 0.000 1.056 573 V HN 0.606 nan 8.190 nan 0.000 0.436 574 P HA 0.183 nan 4.420 nan 0.000 0.269 574 P C -1.233 176.054 177.300 -0.022 0.000 1.209 574 P CA 0.222 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 3.178 123.440 120.300 -0.064 0.000 2.411 575 Y HA 0.353 4.902 4.550 -0.002 0.000 0.333 575 Y C 0.093 175.914 175.900 -0.133 0.000 1.186 575 Y CA 0.618 58.652 58.100 -0.110 0.000 1.381 575 Y CB 0.586 38.995 38.460 -0.085 0.000 1.273 575 Y HN 0.216 nan 8.280 nan 0.000 0.546 576 K N 3.840 123.501 120.400 -1.232 0.000 2.542 576 K HA 0.241 4.560 4.320 -0.002 0.000 0.259 576 K C -1.721 174.216 176.600 -1.105 0.000 0.932 576 K CA -0.677 55.129 56.287 -0.802 0.000 0.820 576 K CB 1.251 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 2.182 122.264 120.400 -0.529 0.000 2.443 577 D HA 0.017 4.656 4.640 -0.002 0.000 0.239 577 D C 0.278 176.388 176.300 -0.317 0.000 1.136 577 D CA 0.842 54.666 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 1.125 119.665 118.700 -0.266 0.000 2.782 578 N HA -0.206 4.532 4.740 -0.002 0.000 0.251 578 N C -0.601 174.712 175.510 -0.328 0.000 1.101 578 N CA 0.471 53.362 53.050 -0.264 0.000 0.764 578 N CB -0.402 37.968 38.487 -0.195 0.000 1.122 578 N HN 0.440 nan 8.380 nan 0.000 0.561 579 R N 0.939 121.138 120.500 -0.502 0.000 3.171 579 R HA 0.279 4.618 4.340 -0.002 0.000 0.241 579 R C 1.377 177.352 176.300 -0.541 0.000 1.421 579 R CA -0.134 55.521 56.100 -0.741 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 0.530 121.533 121.223 -0.368 0.000 2.347 580 L HA 0.180 4.519 4.340 -0.002 0.000 0.196 580 L C -0.081 176.622 176.870 -0.279 0.000 1.072 580 L CA 0.461 54.993 54.840 -0.513 0.000 0.817 580 L CB 0.095 41.444 42.059 -1.183 0.000 1.029 580 L HN 0.319 nan 8.230 nan 0.000 0.478 581 Y N 1.395 121.845 120.300 0.250 0.000 2.434 581 Y HA 0.257 4.806 4.550 -0.002 0.000 0.341 581 Y C -1.526 174.399 175.900 0.042 0.000 0.965 581 Y CA -3.455 54.713 58.100 0.114 0.000 1.205 581 Y CB -0.190 38.246 38.460 -0.040 0.000 1.121 581 Y HN -0.039 nan 8.280 nan 0.000 0.507 582 P HA -0.119 nan 4.420 nan 0.000 0.223 582 P C 0.576 177.762 177.300 -0.189 0.000 1.144 582 P CA 1.147 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 -1.027 114.678 115.700 0.009 0.000 2.575 583 S HA 0.481 4.950 4.470 -0.002 0.000 0.237 583 S C 0.791 175.303 174.600 -0.146 0.000 0.975 583 S CA 0.288 58.576 58.200 0.147 0.000 0.960 583 S CB 0.027 63.449 63.200 0.368 0.000 0.822 583 S HN 0.530 nan 8.310 nan 0.000 0.472 584 G N 1.352 109.999 108.800 -0.255 0.000 2.662 584 G HA2 -0.137 3.822 3.960 -0.002 0.000 0.686 584 G HA3 -0.137 3.822 3.960 -0.002 0.000 0.686 584 G C -0.434 174.366 174.900 -0.167 0.000 1.271 584 G CA -0.429 44.471 45.100 -0.335 0.000 0.816 584 G HN 0.187 nan 8.290 nan 0.000 0.608 585 D N -0.092 120.188 120.400 -0.202 0.000 2.183 585 D HA 0.029 4.668 4.640 -0.002 0.000 0.203 585 D C 0.723 176.697 176.300 -0.543 0.000 0.969 585 D CA 1.353 55.175 54.000 -0.296 0.000 0.842 585 D CB 0.015 40.588 40.800 -0.379 0.000 0.957 585 D HN 0.489 nan 8.370 nan 0.000 0.484 586 H N 0.371 119.409 119.070 -0.053 0.000 2.786 586 H HA 0.241 4.796 4.556 -0.002 0.000 0.284 586 H C 1.000 176.305 175.328 -0.037 0.000 1.104 586 H CA -0.291 55.740 56.048 -0.028 0.000 1.339 586 H CB 1.525 31.281 29.762 -0.009 0.000 1.427 586 H HN -0.210 nan 8.280 nan 0.000 0.497 587 V N 3.566 123.512 119.914 0.055 0.000 2.407 587 V HA -0.029 4.090 4.120 -0.002 0.000 0.245 587 V C -1.590 174.606 176.094 0.170 0.000 1.041 587 V CA 0.538 62.903 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 31.738 31.700 0.050 0.000 0.783 589 Q N -1.649 118.289 119.800 0.230 0.000 2.416 589 Q HA -0.236 4.103 4.340 -0.002 0.000 0.235 589 Q C -0.276 175.993 176.000 0.449 0.000 0.773 589 Q CA 0.537 56.542 55.803 0.336 0.000 1.286 589 Q CB -1.767 27.114 28.738 0.238 0.000 1.556 589 Q HN 0.547 nan 8.270 nan 0.000 0.650 590 W N 1.814 123.198 121.300 0.140 0.000 2.266 590 W HA 0.297 4.956 4.660 -0.001 0.000 0.317 590 W C 1.242 177.664 176.519 -0.162 0.000 1.310 590 W CA 0.008 57.371 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 3.490 118.780 115.700 -0.684 0.000 2.481 591 S HA 0.102 4.571 4.470 -0.002 0.000 0.231 591 S C 1.584 175.379 174.600 -1.342 0.000 0.996 591 S CA 0.916 58.270 58.200 -1.410 0.000 0.942 591 S CB -0.395 62.236 63.200 -0.947 0.000 0.768 591 S HN 1.721 nan 8.310 nan 0.000 0.520 592 G N 0.616 108.139 108.800 -2.128 0.000 2.176 592 G HA2 -0.162 3.797 3.960 -0.002 0.000 0.232 592 G HA3 -0.162 3.797 3.960 -0.002 0.000 0.232 592 G C -0.474 173.788 174.900 -1.063 0.000 0.986 592 G CA 0.052 43.914 45.100 -2.064 0.000 0.643 592 G HN 0.560 nan 8.290 nan 0.000 0.522 593 D N 1.176 121.196 120.400 -0.633 0.000 2.225 593 D HA 0.558 5.197 4.640 -0.002 0.000 0.248 593 D C 0.720 177.148 176.300 0.214 0.000 1.096 593 D CA 1.430 55.342 54.000 -0.146 0.000 0.863 593 D CB 1.355 42.082 40.800 -0.121 0.000 1.156 593 D HN 1.377 nan 8.370 nan 0.000 0.450 594 G N 0.175 109.084 108.800 0.181 0.000 2.428 594 G HA2 -0.077 3.882 3.960 -0.002 0.000 0.681 594 G HA3 -0.077 3.882 3.960 -0.002 0.000 0.681 594 G C -0.995 174.003 174.900 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 2.352 122.301 119.914 0.058 0.000 2.322 595 V HA 0.649 4.768 4.120 -0.002 0.000 0.258 595 V C 0.789 176.837 176.094 -0.076 0.000 1.074 595 V CA 0.615 62.914 62.300 -0.003 0.000 0.909 595 V CB -0.232 31.587 31.823 -0.008 0.000 1.090 595 V HN 1.050 nan 8.190 nan 0.000 0.486 596 R N 2.918 123.323 120.500 -0.158 0.000 2.752 596 R HA 0.814 5.153 4.340 -0.002 0.000 0.271 596 R C 0.419 176.420 176.300 -0.498 0.000 1.026 596 R CA -0.142 55.765 56.100 -0.321 0.000 0.901 596 R CB 1.177 31.201 30.300 -0.461 0.000 1.243 596 R HN 0.818 nan 8.270 nan 0.000 0.463 597 G N 1.234 109.630 108.800 -0.673 0.000 2.594 597 G HA2 -0.431 3.528 3.960 -0.002 0.000 0.297 597 G HA3 -0.431 3.528 3.960 -0.002 0.000 0.297 597 G C 0.554 174.356 174.900 -1.829 0.000 1.273 597 G CA 0.846 45.258 45.100 -1.148 0.000 0.974 597 G HN 0.790 nan 8.290 nan 0.000 0.552 598 M N 0.423 119.177 119.600 -1.410 0.000 2.195 598 M HA -0.024 4.455 4.480 -0.002 0.000 0.260 598 M C 2.394 178.423 176.300 -0.451 0.000 1.066 598 M CA 2.807 57.572 55.300 -0.891 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 -0.412 119.887 120.500 -0.336 0.000 2.096 599 R HA -0.183 4.155 4.340 -0.002 0.000 0.235 599 R C 2.244 178.452 176.300 -0.153 0.000 1.127 599 R CA 1.923 57.928 56.100 -0.160 0.000 0.968 599 R CB -0.355 29.909 30.300 -0.060 0.000 0.861 599 R HN 0.667 nan 8.270 nan 0.000 0.440 600 E N -0.504 119.541 120.200 -0.259 0.000 2.072 600 E HA -0.174 4.175 4.350 -0.002 0.000 0.190 600 E C 1.402 178.025 176.600 0.038 0.000 0.982 600 E CA 1.059 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 0.408 nan 8.360 nan 0.000 0.453 601 W N 0.687 121.938 121.300 -0.081 0.000 2.363 601 W HA -0.056 4.602 4.660 -0.002 0.000 0.296 601 W C 2.097 178.577 176.519 -0.065 0.000 1.212 601 W CA 0.266 57.560 57.345 -0.086 0.000 1.260 601 W CB -0.884 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 -0.058 120.580 120.570 0.114 0.000 2.353 602 I HA -0.075 4.093 4.170 -0.002 0.000 0.248 602 I C 2.134 178.270 176.117 0.033 0.000 1.119 602 I CA 1.325 62.653 61.300 0.047 0.000 1.417 602 I CB -1.046 36.949 38.000 -0.008 0.000 1.078 602 I HN 0.084 nan 8.210 nan 0.000 0.421 603 G N 2.309 111.125 108.800 0.026 0.000 2.611 603 G HA2 -0.427 3.532 3.960 -0.002 0.000 0.301 603 G HA3 -0.427 3.532 3.960 -0.002 0.000 0.301 603 G C 0.499 175.404 174.900 0.008 0.000 1.233 603 G CA 0.688 45.800 45.100 0.020 0.000 0.993 603 G HN 0.523 nan 8.290 nan 0.000 0.553 604 D N 1.249 121.655 120.400 0.011 0.000 2.328 604 D HA 0.376 5.014 4.640 -0.002 0.000 0.226 604 D C 1.809 178.110 176.300 0.003 0.000 1.066 604 D CA 1.145 55.149 54.000 0.006 0.000 0.861 604 D CB -0.453 40.353 40.800 0.009 0.000 0.912 604 D HN 2.189 nan 8.370 nan 0.000 0.521 605 G N 0.394 109.196 108.800 0.003 0.000 2.162 605 G HA2 -0.363 3.596 3.960 -0.002 0.000 0.260 605 G HA3 -0.363 3.596 3.960 -0.002 0.000 0.260 605 G C 1.078 175.981 174.900 0.006 0.000 0.976 605 G CA 0.887 45.985 45.100 -0.004 0.000 0.655 605 G HN 0.696 nan 8.290 nan 0.000 0.533 606 S N -0.769 114.940 115.700 0.015 0.000 2.524 606 S HA 0.304 4.772 4.470 -0.002 0.000 0.216 606 S C 0.639 175.256 174.600 0.029 0.000 0.987 606 S CA 0.590 58.803 58.200 0.022 0.000 0.909 606 S CB 0.377 63.590 63.200 0.021 0.000 0.781 606 S HN 0.625 nan 8.310 nan 0.000 0.521 607 E N 2.482 122.701 120.200 0.030 0.000 2.392 607 E HA 0.147 4.496 4.350 -0.002 0.000 0.264 607 E C -0.236 176.391 176.600 0.044 0.000 1.024 607 E CA -0.346 56.076 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 2.460 121.187 118.700 0.046 0.000 2.492 608 N HA 0.028 4.767 4.740 -0.002 0.000 0.262 608 N C -0.026 175.522 175.510 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 38.920 38.487 0.048 0.000 1.078 608 N HN 0.551 nan 8.380 nan 0.000 0.454 609 I N -1.917 118.702 120.570 0.081 0.000 4.026 609 I HA 0.410 4.579 4.170 -0.002 0.000 0.324 609 I C -0.492 175.677 176.117 0.086 0.000 1.474 609 I CA -0.542 60.814 61.300 0.093 0.000 1.107 609 I CB 0.282 38.358 38.000 0.125 0.000 1.345 609 I HN 0.260 nan 8.210 nan 0.000 0.531 610 D N 2.488 122.929 120.400 0.068 0.000 2.274 610 D HA 0.210 4.849 4.640 -0.002 0.000 0.239 610 D C 0.309 176.612 176.300 0.005 0.000 1.104 610 D CA 0.079 54.102 54.000 0.038 0.000 0.840 610 D CB 0.635 41.477 40.800 0.070 0.000 1.100 610 D HN 0.243 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 4.517 4.740 -0.002 0.000 0.267 611 N C -1.388 174.113 175.510 -0.015 0.000 1.087 611 N CA 1.318 54.341 53.050 -0.044 0.000 0.731 611 N CB -0.924 37.554 38.487 -0.014 0.000 0.886 611 N HN 0.566 nan 8.380 nan 0.000 0.547 612 T N -0.526 114.020 114.554 -0.014 0.000 2.649 612 T HA 0.273 4.622 4.350 -0.002 0.000 0.305 612 T C -1.984 172.721 174.700 0.008 0.000 1.409 612 T CA -0.554 61.549 62.100 0.005 0.000 1.021 612 T CB 0.601 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 2.320 122.734 120.400 0.024 0.000 2.295 613 D HA 0.505 5.143 4.640 -0.002 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 0.575 41.376 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 4.770 4.170 -0.002 0.000 0.312 614 I C -1.193 175.028 176.117 0.174 0.000 1.095 614 I CA -1.159 60.228 61.300 0.145 0.000 1.000 614 I CB 2.029 40.115 38.000 0.143 0.000 1.229 614 I HN 0.017 nan 8.210 nan 0.000 0.454 615 L N 2.716 124.047 121.223 0.180 0.000 2.381 615 L HA 0.477 4.816 4.340 -0.002 0.000 0.274 615 L C -1.503 175.504 176.870 0.227 0.000 0.988 615 L CA -0.456 54.474 54.840 0.149 0.000 0.824 615 L CB 2.298 44.448 42.059 0.152 0.000 1.263 615 L HN 0.528 nan 8.230 nan 0.000 0.410 616 F N 3.929 123.850 119.950 -0.049 0.000 2.347 616 F HA 0.524 5.050 4.527 -0.002 0.000 0.366 616 F C -0.973 174.768 175.800 -0.098 0.000 1.107 616 F CA -0.697 57.315 58.000 0.020 0.000 1.058 616 F CB 0.638 39.643 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 0.085 0.000 2.404 617 F HA 0.290 4.816 4.527 -0.002 0.000 0.354 617 F C -0.193 175.700 175.800 0.155 0.000 1.122 617 F CA -0.617 57.472 58.000 0.148 0.000 1.080 617 F CB 0.776 39.851 39.000 0.125 0.000 1.131 617 F HN 0.428 nan 8.300 nan 0.000 0.471 618 H N 1.491 120.742 119.070 0.301 0.000 2.481 618 H HA 0.460 5.015 4.556 -0.002 0.000 0.333 618 H C -0.871 174.691 175.328 0.389 0.000 1.066 618 H CA -0.631 55.572 56.048 0.259 0.000 1.209 618 H CB 1.214 31.138 29.762 0.270 0.000 1.445 618 H HN 0.510 nan 8.280 nan 0.000 0.488 619 T N 7.445 122.000 114.554 0.002 0.000 2.744 619 T HA 0.421 4.770 4.350 -0.002 0.000 0.291 619 T C -0.865 173.772 174.700 -0.105 0.000 0.957 619 T CA -0.293 61.871 62.100 0.106 0.000 1.002 619 T CB -0.333 68.691 68.868 0.260 0.000 0.919 619 T HN 0.487 nan 8.240 nan 0.000 0.468 620 F N 0.278 120.156 119.950 -0.120 0.000 2.685 620 F HA 0.962 5.488 4.527 -0.002 0.000 0.315 620 F C 0.130 176.063 175.800 0.221 0.000 1.126 620 F CA -0.907 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 4.392 3.960 -0.002 0.000 0.266 621 G HA3 0.433 4.392 3.960 -0.002 0.000 0.266 621 G C -1.994 173.020 174.900 0.190 0.000 1.312 621 G CA -0.334 44.893 45.100 0.211 0.000 0.922 621 G HN 1.556 nan 8.290 nan 0.000 0.480 622 I N -2.914 117.758 120.570 0.170 0.000 3.095 622 I HA 0.860 5.029 4.170 -0.002 0.000 0.310 622 I C -0.792 175.343 176.117 0.029 0.000 1.196 622 I CA -1.029 60.328 61.300 0.095 0.000 0.985 622 I CB 2.257 40.295 38.000 0.064 0.000 1.250 622 I HN 0.481 nan 8.210 nan 0.000 0.446 623 T N 1.308 115.835 114.554 -0.044 0.000 2.779 623 T HA 0.347 4.696 4.350 -0.002 0.000 0.280 623 T C -1.017 173.513 174.700 -0.283 0.000 0.987 623 T CA -0.168 61.806 62.100 -0.210 0.000 0.966 623 T CB 0.268 69.022 68.868 -0.190 0.000 0.933 623 T HN 0.623 nan 8.240 nan 0.000 0.442 624 H N 2.698 121.392 119.070 -0.626 0.000 2.551 624 H HA 0.450 5.005 4.556 -0.002 0.000 0.321 624 H C -1.262 173.649 175.328 -0.694 0.000 1.028 624 H CA -1.082 54.620 56.048 -0.577 0.000 1.215 624 H CB 0.422 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 4.814 4.527 -0.001 0.000 0.369 625 F C -2.020 173.846 175.800 0.110 0.000 1.095 625 F CA -2.543 55.496 58.000 0.066 0.000 1.082 625 F CB 0.946 39.986 39.000 0.067 0.000 1.289 625 F HN 0.523 nan 8.300 nan 0.000 0.462 626 P HA 0.242 nan 4.420 nan 0.000 0.266 626 P C -0.723 176.670 177.300 0.155 0.000 1.193 626 P CA 0.087 63.222 63.100 0.058 0.000 0.770 626 P CB 0.782 32.465 31.700 -0.028 0.000 0.836 627 A N 4.017 126.941 122.820 0.174 0.000 2.515 627 A HA 0.601 4.920 4.320 -0.002 0.000 0.296 627 A C -2.121 175.544 177.584 0.136 0.000 1.094 627 A CA -1.473 50.645 52.037 0.135 0.000 0.718 627 A CB 0.802 19.883 19.000 0.135 0.000 1.307 627 A HN 0.246 nan 8.150 nan 0.000 0.408 628 P HA -0.163 nan 4.420 nan 0.000 0.217 628 P C 0.764 178.169 177.300 0.176 0.000 1.148 628 P CA 1.572 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 -0.691 119.590 120.200 0.135 0.000 2.267 629 E HA -0.164 4.185 4.350 -0.002 0.000 0.197 629 E C 1.267 177.941 176.600 0.123 0.000 0.998 629 E CA 1.043 57.510 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 -0.941 119.564 120.400 0.175 0.000 2.355 630 D HA -0.011 4.628 4.640 -0.002 0.000 0.218 630 D C -0.264 176.175 176.300 0.232 0.000 1.004 630 D CA 0.368 54.482 54.000 0.190 0.000 0.880 630 D CB 0.118 41.083 40.800 0.276 0.000 0.911 630 D HN 0.065 nan 8.370 nan 0.000 0.528 631 F N 1.213 121.191 119.950 0.047 0.000 2.538 631 F HA 0.313 4.840 4.527 -0.001 0.000 0.325 631 F C -1.674 174.145 175.800 0.032 0.000 1.066 631 F CA -2.367 55.654 58.000 0.035 0.000 0.946 631 F CB 2.143 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 0.072 nan 4.420 nan 0.000 0.240 632 P C -0.410 176.559 177.300 -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 32.332 31.700 -0.838 0.000 0.931 633 L N 0.239 121.239 121.223 -0.371 0.000 2.386 633 L HA 0.518 4.857 4.340 -0.002 0.000 0.271 633 L C -0.535 176.195 176.870 -0.234 0.000 0.993 633 L CA -1.161 53.400 54.840 -0.464 0.000 0.819 633 L CB 2.803 44.380 42.059 -0.804 0.000 1.294 633 L HN -0.168 nan 8.230 nan 0.000 0.414 634 M N 5.925 125.418 119.600 -0.179 0.000 2.209 634 M HA 0.477 4.956 4.480 -0.002 0.000 0.355 634 M C -2.394 173.841 176.300 -0.109 0.000 1.171 634 M CA -1.491 53.761 55.300 -0.080 0.000 1.069 634 M CB 1.759 34.352 32.600 -0.012 0.000 1.622 634 M HN 0.261 nan 8.290 nan 0.000 0.459 635 P HA 0.123 nan 4.420 nan 0.000 0.269 635 P C -1.217 176.027 177.300 -0.093 0.000 1.209 635 P CA -0.161 62.890 63.100 -0.082 0.000 0.776 635 P CB 0.562 32.230 31.700 -0.052 0.000 0.876 636 A N 2.478 125.239 122.820 -0.098 0.000 2.546 636 A HA 0.013 4.332 4.320 -0.002 0.000 0.243 636 A C 0.342 177.863 177.584 -0.106 0.000 1.063 636 A CA 0.413 52.387 52.037 -0.105 0.000 0.757 636 A CB -0.491 18.457 19.000 -0.085 0.000 0.991 636 A HN 0.569 nan 8.150 nan 0.000 0.503 637 E N 3.543 123.664 120.200 -0.131 0.000 2.145 637 E HA 0.392 4.741 4.350 -0.002 0.000 0.270 637 E C -2.564 173.969 176.600 -0.111 0.000 0.906 637 E CA -2.256 54.066 56.400 -0.131 0.000 0.761 637 E CB 1.703 31.290 29.700 -0.188 0.000 1.116 637 E HN 0.544 nan 8.360 nan 0.000 0.408 638 P HA 0.286 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 -0.130 62.925 63.100 -0.074 0.000 0.794 638 P CB 1.238 32.893 31.700 -0.076 0.000 0.955 639 I N 0.931 121.473 120.570 -0.046 0.000 2.656 639 I HA 0.462 4.631 4.170 -0.002 0.000 0.292 639 I C -0.102 175.986 176.117 -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 6.756 121.274 114.554 -0.060 0.000 2.889 640 T HA 0.735 5.084 4.350 -0.002 0.000 0.315 640 T C -1.890 172.694 174.700 -0.193 0.000 1.291 640 T CA -0.551 61.460 62.100 -0.149 0.000 1.028 640 T CB 1.502 70.295 68.868 -0.126 0.000 1.235 640 T HN 0.527 nan 8.240 nan 0.000 0.491 641 L N 1.715 122.766 121.223 -0.286 0.000 2.465 641 L HA 0.837 5.176 4.340 -0.002 0.000 0.257 641 L C -1.531 175.206 176.870 -0.222 0.000 0.988 641 L CA -1.173 53.505 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 2.325 121.839 119.600 -0.143 0.000 2.501 642 M HA 0.670 5.149 4.480 -0.002 0.000 0.293 642 M C -2.100 174.172 176.300 -0.047 0.000 1.192 642 M CA -0.548 54.694 55.300 -0.097 0.000 0.886 642 M CB 2.719 35.284 32.600 -0.059 0.000 1.710 642 M HN 0.687 nan 8.290 nan 0.000 0.457 643 L N 4.894 126.124 121.223 0.011 0.000 2.345 643 L HA 0.580 4.918 4.340 -0.002 0.000 0.274 643 L C -0.836 176.161 176.870 0.211 0.000 0.999 643 L CA -0.613 54.315 54.840 0.146 0.000 0.849 643 L CB 1.264 43.460 42.059 0.228 0.000 1.220 643 L HN 0.710 nan 8.230 nan 0.000 0.422 644 R N 3.250 123.774 120.500 0.040 0.000 2.711 644 R HA 0.672 5.011 4.340 -0.002 0.000 0.284 644 R C -2.874 173.080 176.300 -0.576 0.000 0.968 644 R CA -2.093 53.913 56.100 -0.156 0.000 0.924 644 R CB 1.264 31.518 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 62.177 63.100 -0.989 0.000 0.768 645 P CB 0.836 32.118 31.700 -0.696 0.000 0.856 646 R N 3.246 123.611 120.500 -0.226 0.000 2.483 646 R HA 0.271 4.609 4.340 -0.002 0.000 0.303 646 R C 0.540 176.826 176.300 -0.024 0.000 0.987 646 R CA -0.684 55.325 56.100 -0.152 0.000 0.881 646 R CB 0.153 30.415 30.300 -0.063 0.000 1.177 646 R HN 0.657 nan 8.270 nan 0.000 0.451 647 H N 0.853 119.934 119.070 0.020 0.000 3.415 647 H HA -0.222 4.333 4.556 -0.002 0.000 0.213 647 H C 0.741 176.063 175.328 -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 28.575 29.762 -0.004 0.000 1.160 647 H HN 0.534 nan 8.280 nan 0.000 0.319 648 F N 0.492 120.354 119.950 -0.146 0.000 2.149 648 F HA 0.154 4.680 4.527 -0.002 0.000 0.294 648 F C 0.987 176.521 175.800 -0.444 0.000 1.095 648 F CA 0.711 58.507 58.000 -0.341 0.000 1.276 648 F CB 0.204 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 -0.381 119.611 119.950 0.069 0.000 2.457 649 F HA 0.262 4.788 4.527 -0.002 0.000 0.330 649 F C 1.668 177.433 175.800 -0.059 0.000 1.069 649 F CA -0.198 57.789 58.000 -0.022 0.000 1.009 649 F CB 0.625 39.629 39.000 0.007 0.000 1.276 649 F HN -0.225 nan 8.300 nan 0.000 0.492 650 T N -3.195 111.436 114.554 0.129 0.000 3.060 650 T HA 0.259 4.608 4.350 -0.002 0.000 0.249 650 T C -0.151 174.633 174.700 0.139 0.000 1.079 650 T CA 0.215 62.306 62.100 -0.016 0.000 1.013 650 T CB -0.547 68.120 68.868 -0.334 0.000 0.975 650 T HN 0.721 nan 8.240 nan 0.000 0.518 651 E N 0.042 120.320 120.200 0.131 0.000 2.422 651 E HA 0.272 4.621 4.350 -0.002 0.000 0.280 651 E C -1.393 175.205 176.600 -0.005 0.000 1.091 651 E CA -1.214 55.231 56.400 0.075 0.000 0.849 651 E CB -0.029 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 2.221 120.881 118.700 -0.066 0.000 2.332 652 N HA -0.024 4.715 4.740 -0.002 0.000 0.274 652 N C -1.263 174.149 175.510 -0.164 0.000 1.351 652 N CA -1.014 51.959 53.050 -0.128 0.000 0.875 652 N CB 0.641 39.007 38.487 -0.202 0.000 1.140 652 N HN 0.414 nan 8.380 nan 0.000 0.489 653 P HA 0.005 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 0.681 63.526 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 -0.324 108.469 108.800 -0.012 0.000 3.189 654 G HA2 0.083 4.042 3.960 -0.002 0.000 0.225 654 G HA3 0.083 4.042 3.960 -0.002 0.000 0.225 654 G C 1.291 176.351 174.900 0.266 0.000 1.159 654 G CA -0.194 44.996 45.100 0.151 0.000 0.763 654 G HN 0.176 nan 8.290 nan 0.000 0.549 655 L N 1.070 122.363 121.223 0.116 0.000 2.362 655 L HA -0.007 4.332 4.340 -0.002 0.000 0.219 655 L C 1.851 178.795 176.870 0.123 0.000 1.134 655 L CA 1.021 55.913 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 -0.288 120.181 120.400 0.115 0.000 2.325 656 D HA 0.050 4.689 4.640 -0.002 0.000 0.225 656 D C 0.595 176.937 176.300 0.070 0.000 1.096 656 D CA -0.020 54.037 54.000 0.095 0.000 0.844 656 D CB -0.114 40.769 40.800 0.138 0.000 0.925 656 D HN 0.210 nan 8.370 nan 0.000 0.513 657 I N 1.457 122.081 120.570 0.090 0.000 2.395 657 I HA 0.021 4.189 4.170 -0.002 0.000 0.289 657 I C 0.608 176.756 176.117 0.052 0.000 1.023 657 I CA -0.736 60.591 61.300 0.044 0.000 1.350 657 I CB 1.018 39.032 38.000 0.023 0.000 1.409 657 I HN -0.254 nan 8.210 nan 0.000 0.507 658 Q N 6.819 126.632 119.800 0.022 0.000 2.247 658 Q HA 0.108 4.447 4.340 -0.002 0.000 0.288 658 Q C -2.150 173.862 176.000 0.020 0.000 1.079 658 Q CA -1.141 54.675 55.803 0.021 0.000 0.932 658 Q CB 0.040 28.783 28.738 0.009 0.000 1.133 658 Q HN 0.304 nan 8.270 nan 0.000 0.377 659 P HA 0.078 nan 4.420 nan 0.000 0.272 659 P C 0.303 177.622 177.300 0.032 0.000 1.223 659 P CA -0.004 63.119 63.100 0.039 0.000 0.784 659 P CB 0.787 32.523 31.700 0.059 0.000 0.923 660 S N 0.060 115.786 115.700 0.044 0.000 2.414 660 S HA -0.023 4.446 4.470 -0.002 0.000 0.227 660 S C 0.088 174.781 174.600 0.154 0.000 1.022 660 S CA 1.088 59.331 58.200 0.072 0.000 0.958 660 S CB -0.375 62.860 63.200 0.058 0.000 0.797 660 S HN 0.575 nan 8.310 nan 0.000 0.493 661 Y N -0.200 120.108 120.300 0.013 0.000 2.519 661 Y HA 0.576 5.125 4.550 -0.002 0.000 0.336 661 Y C -1.615 174.305 175.900 0.033 0.000 1.089 661 Y CA -1.167 56.945 58.100 0.020 0.000 1.025 661 Y CB 1.163 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 6.750 129.131 122.820 -0.731 0.000 2.480 662 A HA 0.670 4.989 4.320 -0.002 0.000 0.289 662 A C -1.894 175.362 177.584 -0.547 0.000 1.044 662 A CA -0.493 51.277 52.037 -0.444 0.000 0.761 662 A CB 1.077 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 2.783 122.169 119.600 -0.357 0.000 2.204 663 M HA 0.455 4.934 4.480 -0.002 0.000 0.293 663 M C -0.579 175.681 176.300 -0.068 0.000 0.994 663 M CA -0.012 55.169 55.300 -0.199 0.000 0.925 663 M CB 1.839 34.377 32.600 -0.103 0.000 1.577 663 M HN 0.668 nan 8.290 nan 0.000 0.439 664 T N 2.543 117.063 114.554 -0.057 0.000 2.828 664 T HA 0.158 4.506 4.350 -0.002 0.000 0.290 664 T C 1.120 175.809 174.700 -0.019 0.000 1.019 664 T CA -0.064 62.018 62.100 -0.029 0.000 1.031 664 T CB 1.272 70.121 68.868 -0.031 0.000 1.001 664 T HN 0.813 nan 8.240 nan 0.000 0.531 665 T N 1.837 116.380 114.554 -0.017 0.000 2.746 665 T HA -0.129 4.220 4.350 -0.002 0.000 0.267 665 T C 2.360 177.047 174.700 -0.022 0.000 1.039 665 T CA 1.726 63.812 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 1.771 117.458 115.700 -0.021 0.000 2.383 666 S HA -0.088 4.381 4.470 -0.002 0.000 0.227 666 S C 1.855 176.445 174.600 -0.016 0.000 1.026 666 S CA 0.929 59.118 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 1.788 121.977 120.200 -0.018 0.000 2.150 667 E HA 0.028 4.377 4.350 -0.002 0.000 0.193 667 E C 2.367 178.964 176.600 -0.006 0.000 0.985 667 E CA 0.879 57.269 56.400 -0.016 0.000 0.814 667 E CB -0.371 29.311 29.700 -0.029 0.000 0.752 667 E HN 0.726 nan 8.360 nan 0.000 0.466 668 A N 1.827 124.644 122.820 -0.003 0.000 1.898 668 A HA -0.179 4.140 4.320 -0.002 0.000 0.216 668 A C 1.962 179.546 177.584 0.001 0.000 1.181 668 A CA 1.212 53.253 52.037 0.008 0.000 0.620 668 A CB -0.176 18.829 19.000 0.009 0.000 0.819 668 A HN 0.021 nan 8.150 nan 0.000 0.442 669 K N -0.722 119.673 120.400 -0.009 0.000 2.026 669 K HA -0.133 4.185 4.320 -0.002 0.000 0.208 669 K C 2.352 178.949 176.600 -0.006 0.000 1.048 669 K CA 1.371 57.651 56.287 -0.011 0.000 0.929 669 K CB -0.201 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 -0.119 4.220 4.340 -0.002 0.000 0.239 670 R C 1.777 178.077 176.300 0.001 0.000 1.135 670 R CA 1.398 57.495 56.100 -0.004 0.000 0.967 670 R CB -0.219 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 0.744 123.567 122.820 0.005 0.000 2.263 671 A HA 0.146 4.465 4.320 -0.002 0.000 0.205 671 A C 0.596 178.185 177.584 0.009 0.000 1.226 671 A CA 0.545 52.589 52.037 0.012 0.000 0.810 671 A CB -0.473 18.541 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 4.119 4.120 -0.002 0.000 0.244 672 V CA 0.000 62.301 62.300 0.001 0.000 1.235 672 V CB 0.000 31.824 31.823 0.002 0.000 1.184 672 V HN 0.000 nan 8.190 nan 0.000 0.556