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 1ohh_1_C DATA FIRST_RESID 19 DATA SEQUENCE ADTSVDLEET GRVLSIGDGI ARVHGLRNVQ AEEMVEFSSG LKGMSLNLEP DATA SEQUENCE DNVGVVVFGN DKLIKEGDIV KRTGAIVDVP VGEELLGRVV DALGNAIDGK DATA SEQUENCE GPIGSKARRR VGLKAPGIIP RISVREPMQT GIKAVDSLVP IGRGQRELII DATA SEQUENCE GDRQTGKTSI AIDTIINQKR FNDGTDEKKK LYCIYVAIGQ KRSTVAQLVK DATA SEQUENCE RLTDADAMKY TIVVSATASD AAPLQYLAPY SGCSMGEYFR DNGKHALIIY DATA SEQUENCE DDLSKQAVAY RQMSLLLRRP PGREAYPGDV FYLHSRLLER AAKMNDAFGG DATA SEQUENCE GSLTALPVIE TQAGDVSAYI PTNVISITDG QIFLETELFY KGIRPAINVG DATA SEQUENCE LSVSRVGSAA QTRAMKQVAG TMKLELAQYR EVAAFAXXXX DLDAATQQLL DATA SEQUENCE SRGVRLTELL KQGQYSPMAI EEQVAVIYAG VRGYLDKLEP SKITKFENAF DATA SEQUENCE LSHVISQHQA LLGKIRTDGK ISEESDAKLK EIVTNFLAGF EA 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 19 A HA 0.000 nan 4.320 nan 0.000 0.244 19 A C 0.000 177.585 177.584 0.002 0.000 1.274 19 A CA 0.000 52.038 52.037 0.002 0.000 0.836 19 A CB 0.000 19.001 19.000 0.002 0.000 0.831 20 D N 3.055 123.457 120.400 0.002 0.000 2.325 20 D HA 0.374 5.014 4.640 -0.000 0.000 0.251 20 D C 1.094 177.396 176.300 0.003 0.000 1.196 20 D CA 0.985 54.986 54.000 0.002 0.000 0.866 20 D CB 1.046 41.847 40.800 0.003 0.000 1.101 20 D HN 0.556 nan 8.370 nan 0.000 0.476 21 T N -0.669 113.887 114.554 0.002 0.000 3.228 21 T HA 0.042 4.392 4.350 -0.000 0.000 0.278 21 T C 1.379 176.080 174.700 0.002 0.000 1.014 21 T CA -0.200 61.902 62.100 0.003 0.000 0.904 21 T CB -0.196 68.673 68.868 0.002 0.000 1.110 21 T HN 0.197 nan 8.240 nan 0.000 0.541 22 S N 0.623 116.324 115.700 0.002 0.000 2.555 22 S HA 0.087 4.557 4.470 -0.000 0.000 0.230 22 S C 0.814 175.413 174.600 -0.001 0.000 0.978 22 S CA -0.111 58.089 58.200 0.000 0.000 0.934 22 S CB -0.329 62.871 63.200 0.000 0.000 0.766 22 S HN 0.375 nan 8.310 nan 0.000 0.533 23 V N 3.613 123.529 119.914 0.003 0.000 2.572 23 V HA 0.221 4.341 4.120 -0.000 0.000 0.274 23 V C -0.541 175.559 176.094 0.011 0.000 1.075 23 V CA -0.837 61.466 62.300 0.005 0.000 1.237 23 V CB 0.196 32.023 31.823 0.008 0.000 1.517 23 V HN 0.547 nan 8.190 nan 0.000 0.616 24 D N 2.003 122.407 120.400 0.006 0.000 2.339 24 D HA 0.120 4.760 4.640 -0.000 0.000 0.241 24 D C 0.590 176.893 176.300 0.006 0.000 1.183 24 D CA -0.570 53.435 54.000 0.008 0.000 0.859 24 D CB 1.824 42.625 40.800 0.003 0.000 1.067 24 D HN 0.358 nan 8.370 nan 0.000 0.484 25 L N 1.935 123.169 121.223 0.017 0.000 5.068 25 L HA -0.092 4.248 4.340 -0.000 0.000 0.261 25 L C 1.416 178.272 176.870 -0.023 0.000 1.516 25 L CA 0.493 55.337 54.840 0.007 0.000 0.918 25 L CB -0.864 41.212 42.059 0.030 0.000 1.459 25 L HN 0.485 nan 8.230 nan 0.000 0.397 26 E N -0.392 119.796 120.200 -0.020 0.000 2.357 26 E HA 0.008 4.358 4.350 -0.000 0.000 0.202 26 E C 1.215 177.798 176.600 -0.028 0.000 0.855 26 E CA 0.054 56.438 56.400 -0.026 0.000 1.048 26 E CB 0.502 30.191 29.700 -0.018 0.000 1.037 26 E HN 0.444 nan 8.360 nan 0.000 0.499 27 E N 0.725 120.910 120.200 -0.024 0.000 2.476 27 E HA 0.050 4.400 4.350 -0.000 0.000 0.199 27 E C 0.759 177.338 176.600 -0.036 0.000 1.021 27 E CA 0.443 56.826 56.400 -0.027 0.000 0.907 27 E CB 1.151 30.839 29.700 -0.020 0.000 0.974 27 E HN 0.230 nan 8.360 nan 0.000 0.489 28 T N -2.521 112.012 114.554 -0.034 0.000 2.831 28 T HA 0.793 5.143 4.350 -0.000 0.000 0.287 28 T C 0.244 174.921 174.700 -0.037 0.000 1.070 28 T CA -0.582 61.493 62.100 -0.042 0.000 1.010 28 T CB 2.490 71.341 68.868 -0.028 0.000 1.264 28 T HN -0.001 nan 8.240 nan 0.000 0.532 29 G N -0.343 108.431 108.800 -0.042 0.000 2.660 29 G HA2 0.662 4.622 3.960 -0.000 0.000 0.290 29 G HA3 0.662 4.622 3.960 -0.000 0.000 0.290 29 G C -1.849 173.055 174.900 0.007 0.000 1.432 29 G CA -1.141 43.954 45.100 -0.010 0.000 0.807 29 G HN 0.780 nan 8.290 nan 0.000 0.485 30 R N -0.192 120.346 120.500 0.063 0.000 2.513 30 R HA 0.525 4.865 4.340 -0.000 0.000 0.301 30 R C -0.587 175.757 176.300 0.074 0.000 0.968 30 R CA -0.716 55.415 56.100 0.052 0.000 0.872 30 R CB 2.608 32.929 30.300 0.035 0.000 1.177 30 R HN 0.351 nan 8.270 nan 0.000 0.444 31 V N 5.207 125.168 119.914 0.080 0.000 2.599 31 V HA -0.047 4.073 4.120 -0.000 0.000 0.300 31 V C 1.384 177.522 176.094 0.073 0.000 1.034 31 V CA 0.651 63.016 62.300 0.109 0.000 1.115 31 V CB 0.601 32.520 31.823 0.160 0.000 0.934 31 V HN 0.756 nan 8.190 nan 0.000 0.485 32 L N 3.562 124.830 121.223 0.074 0.000 2.269 32 L HA 0.181 4.521 4.340 -0.000 0.000 0.200 32 L C 0.866 177.757 176.870 0.035 0.000 1.069 32 L CA 0.721 55.590 54.840 0.048 0.000 0.804 32 L CB 0.231 42.327 42.059 0.061 0.000 0.987 32 L HN 0.815 nan 8.230 nan 0.000 0.468 33 S N -0.670 115.055 115.700 0.041 0.000 2.546 33 S HA 0.662 5.132 4.470 -0.000 0.000 0.274 33 S C -1.026 173.589 174.600 0.026 0.000 1.121 33 S CA -0.678 57.537 58.200 0.025 0.000 0.887 33 S CB 2.837 66.047 63.200 0.017 0.000 1.094 33 S HN 0.040 nan 8.310 nan 0.000 0.474 34 I N 0.689 121.264 120.570 0.008 0.000 2.571 34 I HA 0.866 5.036 4.170 -0.000 0.000 0.289 34 I C -0.412 175.691 176.117 -0.023 0.000 1.115 34 I CA 0.196 61.490 61.300 -0.010 0.000 1.045 34 I CB 1.455 39.443 38.000 -0.020 0.000 1.238 34 I HN 1.254 nan 8.210 nan 0.000 0.424 35 G N 4.461 113.242 108.800 -0.032 0.000 2.616 35 G HA2 0.442 4.402 3.960 -0.000 0.000 0.294 35 G HA3 0.442 4.402 3.960 -0.000 0.000 0.294 35 G C -1.514 173.364 174.900 -0.036 0.000 1.489 35 G CA -0.560 44.521 45.100 -0.032 0.000 0.836 35 G HN 0.689 nan 8.290 nan 0.000 0.527 36 D N -0.140 120.240 120.400 -0.034 0.000 2.740 36 D HA -0.155 4.485 4.640 -0.000 0.000 0.231 36 D C 1.607 177.884 176.300 -0.039 0.000 1.194 36 D CA 2.431 56.412 54.000 -0.032 0.000 0.673 36 D CB -1.239 39.543 40.800 -0.029 0.000 0.995 36 D HN 2.164 nan 8.370 nan 0.000 0.411 37 G N -0.644 108.126 108.800 -0.051 0.000 2.212 37 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.267 37 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.267 37 G C 0.265 175.121 174.900 -0.074 0.000 1.002 37 G CA 0.526 45.586 45.100 -0.066 0.000 0.729 37 G HN 0.565 nan 8.290 nan 0.000 0.517 38 I N 0.372 120.905 120.570 -0.061 0.000 2.406 38 I HA 0.694 4.864 4.170 -0.000 0.000 0.290 38 I C 0.300 176.403 176.117 -0.024 0.000 0.999 38 I CA -1.051 60.222 61.300 -0.043 0.000 1.124 38 I CB 1.493 39.473 38.000 -0.034 0.000 1.289 38 I HN 0.286 nan 8.210 nan 0.000 0.441 39 A N 7.404 130.232 122.820 0.014 0.000 2.330 39 A HA 0.756 5.076 4.320 -0.000 0.000 0.313 39 A C -0.391 177.248 177.584 0.091 0.000 1.124 39 A CA -0.770 51.313 52.037 0.077 0.000 0.774 39 A CB 1.244 20.359 19.000 0.192 0.000 1.198 39 A HN 0.560 nan 8.150 nan 0.000 0.465 40 R N 1.797 122.340 120.500 0.072 0.000 2.207 40 R HA 0.464 4.804 4.340 -0.000 0.000 0.334 40 R C -0.975 175.372 176.300 0.078 0.000 1.013 40 R CA -0.398 55.737 56.100 0.058 0.000 0.858 40 R CB 1.160 31.485 30.300 0.042 0.000 1.094 40 R HN 0.444 nan 8.270 nan 0.000 0.457 41 V N 3.676 123.628 119.914 0.065 0.000 2.398 41 V HA 0.166 4.286 4.120 -0.000 0.000 0.286 41 V C 0.159 176.293 176.094 0.066 0.000 1.026 41 V CA -0.928 61.410 62.300 0.063 0.000 0.868 41 V CB 1.298 33.128 31.823 0.011 0.000 0.982 41 V HN 0.698 nan 8.190 nan 0.000 0.443 42 H N 3.425 122.492 119.070 -0.003 0.000 2.582 42 H HA 0.625 5.181 4.556 -0.000 0.000 0.345 42 H C 0.652 175.969 175.328 -0.017 0.000 1.104 42 H CA 1.476 57.520 56.048 -0.007 0.000 1.390 42 H CB 0.994 30.755 29.762 -0.003 0.000 1.461 42 H HN 1.048 nan 8.280 nan 0.000 0.551 43 G N 2.857 111.465 108.800 -0.320 0.000 2.578 43 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.232 43 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.232 43 G C 0.218 175.053 174.900 -0.108 0.000 1.176 43 G CA -0.348 44.655 45.100 -0.162 0.000 0.968 43 G HN 1.138 nan 8.290 nan 0.000 0.583 44 L N -0.064 121.118 121.223 -0.068 0.000 3.970 44 L HA -0.249 4.091 4.340 -0.000 0.000 0.425 44 L C 2.372 179.205 176.870 -0.060 0.000 1.162 44 L CA 0.997 55.798 54.840 -0.064 0.000 0.968 44 L CB -0.720 41.297 42.059 -0.069 0.000 1.896 44 L HN 0.641 nan 8.230 nan 0.000 1.006 45 R N 0.170 120.630 120.500 -0.066 0.000 2.294 45 R HA -0.174 4.166 4.340 -0.000 0.000 0.250 45 R C 1.266 177.542 176.300 -0.041 0.000 1.181 45 R CA 1.728 57.793 56.100 -0.059 0.000 1.016 45 R CB -0.416 29.849 30.300 -0.058 0.000 0.869 45 R HN 0.616 nan 8.270 nan 0.000 0.476 46 N N -0.752 117.927 118.700 -0.035 0.000 2.184 46 N HA 0.021 4.761 4.740 -0.000 0.000 0.206 46 N C 0.022 175.518 175.510 -0.023 0.000 1.151 46 N CA 0.043 53.078 53.050 -0.026 0.000 0.878 46 N CB 0.518 38.992 38.487 -0.021 0.000 1.014 46 N HN -0.050 nan 8.380 nan 0.000 0.512 47 V N -0.043 119.853 119.914 -0.029 0.000 3.178 47 V HA 0.067 4.187 4.120 -0.000 0.000 0.306 47 V C 0.484 176.568 176.094 -0.015 0.000 1.107 47 V CA -0.421 61.865 62.300 -0.024 0.000 1.195 47 V CB 0.317 32.122 31.823 -0.031 0.000 0.993 47 V HN 0.091 nan 8.190 nan 0.000 0.493 48 Q N 1.291 121.087 119.800 -0.007 0.000 2.226 48 Q HA 0.687 5.027 4.340 -0.000 0.000 0.256 48 Q C 0.044 176.047 176.000 0.004 0.000 0.962 48 Q CA -0.584 55.219 55.803 -0.000 0.000 0.887 48 Q CB 1.695 30.436 28.738 0.005 0.000 1.282 48 Q HN 1.098 nan 8.270 nan 0.000 0.449 49 A N 1.937 124.761 122.820 0.008 0.000 2.524 49 A HA 0.054 4.374 4.320 -0.000 0.000 0.250 49 A C -0.033 177.564 177.584 0.021 0.000 1.078 49 A CA 0.322 52.367 52.037 0.014 0.000 0.761 49 A CB -0.347 18.664 19.000 0.018 0.000 1.012 49 A HN 0.932 nan 8.150 nan 0.000 0.500 50 E N -0.269 119.946 120.200 0.026 0.000 3.057 50 E HA -0.170 4.180 4.350 -0.000 0.000 0.296 50 E C -0.010 176.616 176.600 0.044 0.000 0.943 50 E CA 1.062 57.487 56.400 0.041 0.000 0.965 50 E CB -1.427 28.297 29.700 0.040 0.000 1.485 50 E HN 0.916 nan 8.360 nan 0.000 0.417 51 E N 0.809 121.027 120.200 0.030 0.000 2.266 51 E HA 0.395 4.745 4.350 -0.000 0.000 0.277 51 E C -0.024 176.601 176.600 0.042 0.000 1.018 51 E CA -0.596 55.823 56.400 0.031 0.000 0.840 51 E CB 0.929 30.636 29.700 0.011 0.000 1.082 51 E HN 0.137 nan 8.360 nan 0.000 0.395 52 M N 4.420 124.059 119.600 0.065 0.000 2.248 52 M HA 0.160 4.640 4.480 -0.000 0.000 0.337 52 M C -1.090 175.233 176.300 0.039 0.000 1.121 52 M CA -0.093 55.262 55.300 0.092 0.000 1.155 52 M CB 0.786 33.456 32.600 0.116 0.000 1.514 52 M HN 0.303 nan 8.290 nan 0.000 0.452 53 V N 1.266 121.198 119.914 0.030 0.000 2.925 53 V HA 0.674 4.794 4.120 -0.000 0.000 0.311 53 V C -1.155 174.918 176.094 -0.034 0.000 1.104 53 V CA -0.933 61.336 62.300 -0.052 0.000 0.954 53 V CB 1.951 33.681 31.823 -0.154 0.000 1.022 53 V HN 0.902 nan 8.190 nan 0.000 0.427 54 E N 2.389 122.536 120.200 -0.088 0.000 2.179 54 E HA 0.605 4.955 4.350 -0.000 0.000 0.275 54 E C -1.574 174.939 176.600 -0.145 0.000 0.945 54 E CA -0.376 56.010 56.400 -0.023 0.000 0.792 54 E CB 2.258 31.959 29.700 0.002 0.000 1.125 54 E HN 0.628 nan 8.360 nan 0.000 0.397 55 F N 0.699 120.665 119.950 0.027 0.000 2.403 55 F HA 0.130 4.657 4.527 -0.000 0.000 0.326 55 F C 1.757 177.570 175.800 0.020 0.000 1.081 55 F CA -0.160 57.852 58.000 0.020 0.000 1.041 55 F CB 1.566 40.577 39.000 0.019 0.000 1.234 55 F HN 0.470 nan 8.300 nan 0.000 0.503 56 S N 0.588 116.410 115.700 0.203 0.000 2.401 56 S HA -0.288 4.182 4.470 -0.000 0.000 0.236 56 S C 2.052 176.720 174.600 0.113 0.000 1.058 56 S CA 2.242 60.515 58.200 0.121 0.000 1.151 56 S CB -0.626 62.643 63.200 0.115 0.000 1.049 56 S HN 0.708 nan 8.310 nan 0.000 0.432 57 S N 0.222 116.002 115.700 0.132 0.000 2.461 57 S HA 0.030 4.500 4.470 -0.000 0.000 0.246 57 S C 1.679 176.333 174.600 0.090 0.000 1.007 57 S CA 1.045 59.301 58.200 0.093 0.000 0.976 57 S CB -0.642 62.603 63.200 0.075 0.000 0.763 57 S HN 0.983 nan 8.310 nan 0.000 0.508 58 G N -0.077 108.792 108.800 0.115 0.000 2.176 58 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.232 58 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.232 58 G C -0.110 174.862 174.900 0.120 0.000 0.986 58 G CA 0.055 45.213 45.100 0.096 0.000 0.643 58 G HN 0.427 nan 8.290 nan 0.000 0.522 59 L N 1.000 122.318 121.223 0.158 0.000 2.418 59 L HA 0.739 5.079 4.340 -0.000 0.000 0.265 59 L C 0.576 177.611 176.870 0.276 0.000 1.143 59 L CA -0.153 54.788 54.840 0.170 0.000 0.809 59 L CB 0.681 42.801 42.059 0.102 0.000 1.124 59 L HN 0.227 nan 8.230 nan 0.000 0.456 60 K N 1.891 122.457 120.400 0.277 0.000 2.258 60 K HA 0.896 5.216 4.320 -0.000 0.000 0.236 60 K C -0.656 176.164 176.600 0.368 0.000 1.008 60 K CA -0.828 55.663 56.287 0.340 0.000 0.869 60 K CB 1.748 34.434 32.500 0.310 0.000 1.171 60 K HN 0.776 nan 8.250 nan 0.000 0.447 61 G N 0.307 109.268 108.800 0.268 0.000 2.646 61 G HA2 0.447 4.407 3.960 -0.000 0.000 0.291 61 G HA3 0.447 4.407 3.960 -0.000 0.000 0.291 61 G C -1.878 172.907 174.900 -0.192 0.000 1.445 61 G CA -0.774 44.274 45.100 -0.086 0.000 0.814 61 G HN 0.463 nan 8.290 nan 0.000 0.495 62 M N 1.345 120.648 119.600 -0.495 0.000 2.364 62 M HA 0.622 5.102 4.480 -0.000 0.000 0.334 62 M C -0.025 176.214 176.300 -0.102 0.000 1.107 62 M CA -0.760 54.424 55.300 -0.193 0.000 0.988 62 M CB 1.882 34.402 32.600 -0.134 0.000 1.673 62 M HN 0.613 nan 8.290 nan 0.000 0.441 63 S N 5.883 121.565 115.700 -0.030 0.000 2.415 63 S HA 0.303 4.773 4.470 -0.000 0.000 0.313 63 S C 0.446 175.044 174.600 -0.004 0.000 1.067 63 S CA -0.869 57.319 58.200 -0.019 0.000 1.099 63 S CB 0.278 63.466 63.200 -0.019 0.000 0.991 63 S HN 0.801 nan 8.310 nan 0.000 0.491 64 L N 3.619 124.838 121.223 -0.007 0.000 2.269 64 L HA 0.338 4.678 4.340 -0.000 0.000 0.200 64 L C 0.670 177.544 176.870 0.006 0.000 1.069 64 L CA 0.653 55.497 54.840 0.007 0.000 0.804 64 L CB -1.932 40.128 42.059 0.002 0.000 0.987 64 L HN 0.524 nan 8.230 nan 0.000 0.468 65 N N 1.314 120.013 118.700 -0.002 0.000 2.439 65 N HA 0.204 4.944 4.740 -0.000 0.000 0.243 65 N C -0.228 175.280 175.510 -0.004 0.000 1.088 65 N CA 0.174 53.223 53.050 -0.002 0.000 0.940 65 N CB 0.419 38.902 38.487 -0.005 0.000 1.180 65 N HN 0.076 nan 8.380 nan 0.000 0.505 66 L N 2.685 123.906 121.223 -0.003 0.000 2.783 66 L HA 0.238 4.578 4.340 -0.000 0.000 0.235 66 L C 0.326 177.190 176.870 -0.010 0.000 1.260 66 L CA -0.212 54.622 54.840 -0.009 0.000 1.184 66 L CB -0.336 41.718 42.059 -0.007 0.000 1.472 66 L HN 0.428 nan 8.230 nan 0.000 0.426 67 E N 0.937 121.131 120.200 -0.010 0.000 2.392 67 E HA 0.095 4.445 4.350 -0.000 0.000 0.259 67 E C -1.555 175.035 176.600 -0.016 0.000 1.108 67 E CA -1.718 54.676 56.400 -0.009 0.000 0.916 67 E CB 0.666 30.362 29.700 -0.006 0.000 0.989 67 E HN 0.128 nan 8.360 nan 0.000 0.432 68 P HA -0.223 nan 4.420 nan 0.000 0.212 68 P C 0.767 178.048 177.300 -0.031 0.000 1.178 68 P CA 1.477 64.564 63.100 -0.021 0.000 0.915 68 P CB -0.001 31.691 31.700 -0.013 0.000 0.788 69 D N -0.954 119.435 120.400 -0.019 0.000 2.332 69 D HA -0.021 4.619 4.640 -0.000 0.000 0.244 69 D C 0.040 176.329 176.300 -0.018 0.000 1.136 69 D CA 0.135 54.126 54.000 -0.016 0.000 0.884 69 D CB -0.869 39.939 40.800 0.014 0.000 0.906 69 D HN 0.377 nan 8.370 nan 0.000 0.520 70 N N -2.214 116.466 118.700 -0.032 0.000 4.016 70 N HA 0.087 4.827 4.740 -0.000 0.000 0.227 70 N C -2.276 173.220 175.510 -0.022 0.000 1.337 70 N CA -0.894 52.141 53.050 -0.024 0.000 0.817 70 N CB 0.905 39.401 38.487 0.016 0.000 1.469 70 N HN -0.197 nan 8.380 nan 0.000 0.448 71 V N -0.217 119.689 119.914 -0.014 0.000 2.487 71 V HA 0.814 4.934 4.120 -0.000 0.000 0.298 71 V C 0.527 176.623 176.094 0.004 0.000 1.028 71 V CA -0.304 61.988 62.300 -0.013 0.000 0.860 71 V CB 1.350 33.158 31.823 -0.025 0.000 0.991 71 V HN 0.917 nan 8.190 nan 0.000 0.427 72 G N 3.828 112.629 108.800 0.002 0.000 2.356 72 G HA2 0.504 4.464 3.960 -0.000 0.000 0.300 72 G HA3 0.504 4.464 3.960 -0.000 0.000 0.300 72 G C -0.651 174.253 174.900 0.006 0.000 1.107 72 G CA -0.166 44.938 45.100 0.007 0.000 0.960 72 G HN 0.517 nan 8.290 nan 0.000 0.418 73 V N 3.524 123.461 119.914 0.037 0.000 2.398 73 V HA 0.263 4.383 4.120 -0.000 0.000 0.286 73 V C 0.086 176.192 176.094 0.020 0.000 1.026 73 V CA -0.661 61.670 62.300 0.052 0.000 0.868 73 V CB 1.788 33.710 31.823 0.166 0.000 0.982 73 V HN 0.472 nan 8.190 nan 0.000 0.443 74 V N 5.983 125.851 119.914 -0.077 0.000 2.348 74 V HA 0.241 4.361 4.120 -0.000 0.000 0.270 74 V C 0.197 176.146 176.094 -0.242 0.000 1.037 74 V CA -0.581 61.632 62.300 -0.145 0.000 0.872 74 V CB 1.522 33.244 31.823 -0.169 0.000 1.002 74 V HN 0.634 nan 8.190 nan 0.000 0.464 75 V N 6.201 126.012 119.914 -0.171 0.000 2.450 75 V HA 0.084 4.204 4.120 -0.000 0.000 0.281 75 V C 0.617 176.679 176.094 -0.053 0.000 1.019 75 V CA 0.369 62.563 62.300 -0.175 0.000 1.062 75 V CB -0.160 31.514 31.823 -0.249 0.000 0.979 75 V HN 0.761 nan 8.190 nan 0.000 0.477 76 F N 4.474 124.455 119.950 0.051 0.000 2.783 76 F HA 0.489 5.016 4.527 -0.000 0.000 0.338 76 F C 1.238 177.058 175.800 0.034 0.000 1.178 76 F CA 0.306 58.344 58.000 0.063 0.000 1.343 76 F CB 0.150 39.202 39.000 0.085 0.000 1.496 76 F HN 0.765 nan 8.300 nan 0.000 0.583 77 G N -0.176 108.721 108.800 0.162 0.000 2.324 77 G HA2 -0.072 3.888 3.960 -0.000 0.000 0.293 77 G HA3 -0.072 3.888 3.960 -0.000 0.000 0.293 77 G C -1.508 173.403 174.900 0.020 0.000 1.297 77 G CA -1.251 43.902 45.100 0.088 0.000 0.853 77 G HN -0.015 nan 8.290 nan 0.000 0.535 78 N N 1.580 120.287 118.700 0.012 0.000 2.301 78 N HA 0.031 4.771 4.740 -0.000 0.000 0.267 78 N C 0.354 175.834 175.510 -0.050 0.000 1.304 78 N CA 0.825 53.868 53.050 -0.011 0.000 0.851 78 N CB 0.425 38.910 38.487 -0.003 0.000 1.070 78 N HN 0.565 nan 8.380 nan 0.000 0.483 79 D N 2.215 122.575 120.400 -0.065 0.000 2.895 79 D HA 0.019 4.659 4.640 -0.000 0.000 0.258 79 D C 0.454 176.704 176.300 -0.084 0.000 1.311 79 D CA -0.204 53.728 54.000 -0.113 0.000 0.843 79 D CB -0.139 40.582 40.800 -0.131 0.000 1.055 79 D HN 0.689 nan 8.370 nan 0.000 0.486 80 K N 0.024 120.390 120.400 -0.057 0.000 2.373 80 K HA 0.182 4.502 4.320 -0.000 0.000 0.202 80 K C 0.889 177.468 176.600 -0.034 0.000 1.025 80 K CA -0.310 55.954 56.287 -0.038 0.000 1.115 80 K CB 0.262 32.749 32.500 -0.023 0.000 0.858 80 K HN 0.097 nan 8.250 nan 0.000 0.525 81 L N 0.837 122.032 121.223 -0.046 0.000 2.575 81 L HA 0.342 4.682 4.340 -0.000 0.000 0.228 81 L C 0.711 177.563 176.870 -0.029 0.000 1.075 81 L CA -0.305 54.518 54.840 -0.028 0.000 0.867 81 L CB 0.277 42.326 42.059 -0.017 0.000 1.097 81 L HN 0.116 nan 8.230 nan 0.000 0.485 82 I N 0.623 121.145 120.570 -0.079 0.000 2.575 82 I HA 0.107 4.277 4.170 -0.000 0.000 0.285 82 I C -0.028 176.077 176.117 -0.021 0.000 1.085 82 I CA 0.315 61.572 61.300 -0.071 0.000 1.403 82 I CB 0.725 38.579 38.000 -0.244 0.000 1.409 82 I HN 0.065 nan 8.210 nan 0.000 0.557 83 K N 3.721 124.138 120.400 0.029 0.000 2.495 83 K HA 0.308 4.628 4.320 -0.000 0.000 0.268 83 K C -0.962 175.666 176.600 0.047 0.000 1.008 83 K CA -0.952 55.352 56.287 0.027 0.000 0.882 83 K CB 1.987 34.501 32.500 0.023 0.000 1.443 83 K HN 0.505 nan 8.250 nan 0.000 0.447 84 E N 0.348 120.566 120.200 0.030 0.000 2.351 84 E HA 0.107 4.457 4.350 -0.000 0.000 0.266 84 E C 0.361 176.978 176.600 0.028 0.000 1.031 84 E CA 1.016 57.434 56.400 0.029 0.000 0.911 84 E CB 0.138 29.846 29.700 0.014 0.000 0.986 84 E HN 0.765 nan 8.360 nan 0.000 0.446 85 G N 4.272 113.092 108.800 0.033 0.000 2.213 85 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.226 85 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.226 85 G C -0.263 174.661 174.900 0.040 0.000 0.992 85 G CA -0.021 45.092 45.100 0.023 0.000 0.632 85 G HN 0.635 nan 8.290 nan 0.000 0.511 86 D N 0.733 121.174 120.400 0.069 0.000 2.425 86 D HA 0.432 5.072 4.640 -0.000 0.000 0.247 86 D C 0.927 177.273 176.300 0.076 0.000 1.147 86 D CA 0.047 54.102 54.000 0.093 0.000 0.879 86 D CB 0.799 41.692 40.800 0.155 0.000 1.179 86 D HN 0.337 nan 8.370 nan 0.000 0.456 87 I N 2.164 122.759 120.570 0.043 0.000 2.556 87 I HA 0.024 4.194 4.170 -0.000 0.000 0.284 87 I C -0.065 176.006 176.117 -0.077 0.000 1.114 87 I CA 0.031 61.327 61.300 -0.007 0.000 1.418 87 I CB 0.703 38.700 38.000 -0.004 0.000 1.394 87 I HN 0.011 nan 8.210 nan 0.000 0.552 88 V N 6.987 126.801 119.914 -0.167 0.000 2.555 88 V HA 0.453 4.573 4.120 -0.000 0.000 0.302 88 V C -0.165 175.799 176.094 -0.217 0.000 1.038 88 V CA -0.929 61.154 62.300 -0.362 0.000 0.887 88 V CB 1.681 33.196 31.823 -0.514 0.000 0.991 88 V HN 0.595 nan 8.190 nan 0.000 0.434 89 K N 3.535 123.814 120.400 -0.201 0.000 2.324 89 K HA 0.602 4.922 4.320 -0.000 0.000 0.253 89 K C -0.489 176.052 176.600 -0.099 0.000 0.932 89 K CA -0.858 55.362 56.287 -0.112 0.000 0.799 89 K CB 2.483 34.943 32.500 -0.066 0.000 1.154 89 K HN 0.552 nan 8.250 nan 0.000 0.425 90 R N 0.554 121.013 120.500 -0.069 0.000 2.643 90 R HA 0.051 4.391 4.340 -0.000 0.000 0.270 90 R C 0.551 176.835 176.300 -0.028 0.000 1.061 90 R CA 0.182 56.253 56.100 -0.049 0.000 1.107 90 R CB 0.503 30.782 30.300 -0.036 0.000 0.999 90 R HN 0.613 nan 8.270 nan 0.000 0.460 91 T N 0.258 114.805 114.554 -0.013 0.000 2.990 91 T HA 0.117 4.467 4.350 -0.000 0.000 0.250 91 T C 1.125 175.827 174.700 0.004 0.000 1.041 91 T CA 0.629 62.730 62.100 0.003 0.000 1.010 91 T CB 0.373 69.253 68.868 0.021 0.000 1.003 91 T HN 0.940 nan 8.240 nan 0.000 0.499 92 G N 1.611 110.412 108.800 0.001 0.000 2.155 92 G HA2 -0.079 3.881 3.960 -0.000 0.000 0.257 92 G HA3 -0.079 3.881 3.960 -0.000 0.000 0.257 92 G C 0.116 175.021 174.900 0.008 0.000 0.983 92 G CA 0.167 45.268 45.100 0.002 0.000 0.676 92 G HN 0.930 nan 8.290 nan 0.000 0.528 93 A N 0.138 122.967 122.820 0.015 0.000 2.374 93 A HA 0.770 5.090 4.320 -0.000 0.000 0.305 93 A C 0.258 177.860 177.584 0.030 0.000 1.053 93 A CA -0.762 51.287 52.037 0.020 0.000 0.726 93 A CB 1.221 20.234 19.000 0.021 0.000 1.229 93 A HN 0.474 nan 8.150 nan 0.000 0.431 94 I N 1.728 122.314 120.570 0.027 0.000 2.993 94 I HA 0.029 4.198 4.170 -0.000 0.000 0.286 94 I C 0.829 176.972 176.117 0.043 0.000 1.215 94 I CA 0.039 61.359 61.300 0.033 0.000 1.393 94 I CB 0.600 38.614 38.000 0.023 0.000 1.371 94 I HN 0.389 nan 8.210 nan 0.000 0.602 95 V N 5.322 125.275 119.914 0.064 0.000 2.673 95 V HA 0.038 4.158 4.120 -0.000 0.000 0.303 95 V C 0.218 176.330 176.094 0.030 0.000 1.046 95 V CA 0.081 62.426 62.300 0.076 0.000 1.126 95 V CB 0.311 32.213 31.823 0.132 0.000 0.934 95 V HN 0.923 nan 8.190 nan 0.000 0.487 96 D N 3.607 124.018 120.400 0.018 0.000 2.732 96 D HA 0.759 5.399 4.640 -0.000 0.000 0.292 96 D C -0.691 175.595 176.300 -0.023 0.000 1.135 96 D CA -0.543 53.455 54.000 -0.003 0.000 1.071 96 D CB 2.086 42.886 40.800 -0.001 0.000 1.457 96 D HN 0.523 nan 8.370 nan 0.000 0.547 97 V N -5.454 114.440 119.914 -0.033 0.000 3.178 97 V HA 0.693 4.813 4.120 -0.000 0.000 0.302 97 V C -2.988 173.070 176.094 -0.061 0.000 1.262 97 V CA -2.079 60.191 62.300 -0.049 0.000 1.030 97 V CB 1.976 33.767 31.823 -0.054 0.000 1.074 97 V HN 0.626 nan 8.190 nan 0.000 0.438 98 P HA 0.446 nan 4.420 nan 0.000 0.281 98 P C -0.786 176.427 177.300 -0.146 0.000 1.252 98 P CA 0.042 63.083 63.100 -0.098 0.000 0.778 98 P CB 1.749 33.399 31.700 -0.083 0.000 0.895 99 V N 1.792 121.573 119.914 -0.221 0.000 3.164 99 V HA 0.922 5.042 4.120 -0.000 0.000 0.313 99 V C 0.550 176.252 176.094 -0.652 0.000 1.188 99 V CA -0.044 62.038 62.300 -0.364 0.000 1.058 99 V CB 1.360 32.995 31.823 -0.313 0.000 1.110 99 V HN 1.032 nan 8.190 nan 0.000 0.453 100 G N 0.233 108.341 108.800 -1.154 0.000 2.423 100 G HA2 -0.035 3.925 3.960 -0.000 0.000 0.684 100 G HA3 -0.035 3.925 3.960 -0.000 0.000 0.684 100 G C -0.236 174.230 174.900 -0.724 0.000 1.309 100 G CA -0.058 44.107 45.100 -1.558 0.000 0.950 100 G HN 0.669 nan 8.290 nan 0.000 0.587 101 E N -0.169 119.834 120.200 -0.329 0.000 2.482 101 E HA 0.029 4.379 4.350 -0.000 0.000 0.196 101 E C 1.831 178.451 176.600 0.032 0.000 1.047 101 E CA 0.904 57.339 56.400 0.059 0.000 0.869 101 E CB 0.132 29.939 29.700 0.178 0.000 0.836 101 E HN 0.484 nan 8.360 nan 0.000 0.520 102 E N 0.550 120.711 120.200 -0.065 0.000 2.153 102 E HA -0.141 4.209 4.350 -0.000 0.000 0.194 102 E C 1.646 178.244 176.600 -0.004 0.000 0.988 102 E CA 0.677 57.059 56.400 -0.030 0.000 0.811 102 E CB -0.116 29.546 29.700 -0.063 0.000 0.746 102 E HN 0.238 nan 8.360 nan 0.000 0.466 103 L N 0.290 121.503 121.223 -0.017 0.000 2.456 103 L HA -0.058 4.282 4.340 -0.000 0.000 0.224 103 L C 0.484 177.400 176.870 0.076 0.000 1.148 103 L CA 0.104 54.954 54.840 0.016 0.000 0.825 103 L CB -0.438 41.620 42.059 -0.002 0.000 0.937 103 L HN 0.078 nan 8.230 nan 0.000 0.450 104 L N 0.890 122.189 121.223 0.127 0.000 2.628 104 L HA 0.013 4.353 4.340 -0.000 0.000 0.274 104 L C 1.423 178.346 176.870 0.088 0.000 1.209 104 L CA 0.743 55.679 54.840 0.160 0.000 0.930 104 L CB -0.257 41.935 42.059 0.220 0.000 1.183 104 L HN 0.403 nan 8.230 nan 0.000 0.492 105 G N 2.667 111.500 108.800 0.055 0.000 2.159 105 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.256 105 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.256 105 G C 0.322 175.221 174.900 -0.003 0.000 0.977 105 G CA -0.282 44.820 45.100 0.003 0.000 0.652 105 G HN 0.571 nan 8.290 nan 0.000 0.531 106 R N -0.618 119.889 120.500 0.012 0.000 2.787 106 R HA 0.653 4.993 4.340 -0.000 0.000 0.271 106 R C -0.517 175.786 176.300 0.005 0.000 0.993 106 R CA -0.756 55.346 56.100 0.003 0.000 0.993 106 R CB 2.252 32.555 30.300 0.005 0.000 1.155 106 R HN 0.108 nan 8.270 nan 0.000 0.486 107 V N 2.729 122.643 119.914 -0.001 0.000 2.398 107 V HA 0.372 4.491 4.120 -0.000 0.000 0.286 107 V C 0.257 176.354 176.094 0.005 0.000 1.026 107 V CA -0.670 61.633 62.300 0.005 0.000 0.868 107 V CB 1.357 33.179 31.823 -0.003 0.000 0.982 107 V HN 0.607 nan 8.190 nan 0.000 0.443 108 V N 1.030 120.950 119.914 0.010 0.000 3.126 108 V HA 0.820 4.940 4.120 -0.000 0.000 0.314 108 V C -0.471 175.622 176.094 -0.000 0.000 1.138 108 V CA -0.900 61.400 62.300 -0.000 0.000 1.034 108 V CB 2.109 33.927 31.823 -0.008 0.000 1.075 108 V HN 0.803 nan 8.190 nan 0.000 0.442 109 D N 1.335 121.727 120.400 -0.013 0.000 2.478 109 D HA 0.517 5.157 4.640 -0.000 0.000 0.269 109 D C 1.155 177.430 176.300 -0.041 0.000 1.232 109 D CA 0.004 53.993 54.000 -0.019 0.000 1.059 109 D CB 1.290 42.077 40.800 -0.021 0.000 1.104 109 D HN 0.838 nan 8.370 nan 0.000 0.566 110 A N -0.513 122.270 122.820 -0.063 0.000 2.070 110 A HA -0.040 4.280 4.320 -0.000 0.000 0.220 110 A C 2.130 179.626 177.584 -0.148 0.000 1.159 110 A CA 0.874 52.851 52.037 -0.100 0.000 0.656 110 A CB -0.736 18.192 19.000 -0.121 0.000 0.800 110 A HN 0.555 nan 8.150 nan 0.000 0.453 111 L N -1.741 119.388 121.223 -0.158 0.000 2.607 111 L HA 0.246 4.586 4.340 -0.000 0.000 0.228 111 L C 1.414 178.231 176.870 -0.089 0.000 1.123 111 L CA 0.537 55.281 54.840 -0.159 0.000 0.890 111 L CB 0.118 42.069 42.059 -0.180 0.000 1.103 111 L HN 0.563 nan 8.230 nan 0.000 0.468 112 G N 0.295 109.054 108.800 -0.068 0.000 2.141 112 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.195 112 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.195 112 G C -0.316 174.561 174.900 -0.038 0.000 1.012 112 G CA -0.464 44.606 45.100 -0.050 0.000 0.696 112 G HN 0.304 nan 8.290 nan 0.000 0.508 113 N N 0.559 119.240 118.700 -0.032 0.000 2.430 113 N HA 0.670 5.410 4.740 -0.000 0.000 0.292 113 N C 0.447 175.949 175.510 -0.015 0.000 1.051 113 N CA 0.392 53.429 53.050 -0.020 0.000 0.917 113 N CB 1.648 40.127 38.487 -0.014 0.000 1.164 113 N HN 0.699 nan 8.380 nan 0.000 0.484 114 A N 1.680 124.493 122.820 -0.012 0.000 2.488 114 A HA 0.263 4.583 4.320 -0.000 0.000 0.249 114 A C 1.234 178.815 177.584 -0.005 0.000 1.083 114 A CA -0.088 51.944 52.037 -0.008 0.000 0.768 114 A CB -0.552 18.442 19.000 -0.008 0.000 1.017 114 A HN 0.833 nan 8.150 nan 0.000 0.496 115 I N -0.659 119.909 120.570 -0.003 0.000 4.338 115 I HA 0.239 4.409 4.170 -0.000 0.000 0.329 115 I C 0.299 176.414 176.117 -0.003 0.000 1.378 115 I CA 0.064 61.364 61.300 -0.001 0.000 1.170 115 I CB 0.410 38.411 38.000 0.002 0.000 1.206 115 I HN 0.480 nan 8.210 nan 0.000 0.432 116 D N 1.347 121.743 120.400 -0.005 0.000 2.336 116 D HA 0.149 4.789 4.640 -0.000 0.000 0.228 116 D C 1.408 177.703 176.300 -0.009 0.000 1.120 116 D CA 0.125 54.119 54.000 -0.009 0.000 0.839 116 D CB -0.167 40.625 40.800 -0.013 0.000 0.932 116 D HN 0.376 nan 8.370 nan 0.000 0.509 117 G N 0.954 109.750 108.800 -0.007 0.000 2.393 117 G HA2 -0.358 3.602 3.960 -0.000 0.000 0.299 117 G HA3 -0.358 3.602 3.960 -0.000 0.000 0.299 117 G C 0.546 175.442 174.900 -0.007 0.000 0.990 117 G CA 0.537 45.634 45.100 -0.006 0.000 1.118 117 G HN 0.484 nan 8.290 nan 0.000 0.513 118 K N -0.635 119.761 120.400 -0.007 0.000 2.520 118 K HA 0.475 4.795 4.320 -0.000 0.000 0.206 118 K C 1.153 177.749 176.600 -0.005 0.000 1.122 118 K CA 0.196 56.479 56.287 -0.007 0.000 1.045 118 K CB 1.017 33.513 32.500 -0.008 0.000 0.932 118 K HN 1.590 nan 8.250 nan 0.000 0.571 119 G N 2.249 111.046 108.800 -0.005 0.000 2.655 119 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.680 119 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.680 119 G C -2.747 172.149 174.900 -0.006 0.000 1.302 119 G CA -1.365 43.732 45.100 -0.005 0.000 0.872 119 G HN -0.081 nan 8.290 nan 0.000 0.540 120 P HA 0.266 nan 4.420 nan 0.000 0.264 120 P C 0.358 177.650 177.300 -0.013 0.000 1.179 120 P CA -0.205 62.889 63.100 -0.010 0.000 0.763 120 P CB 0.311 32.006 31.700 -0.009 0.000 0.806 121 I N 2.554 123.113 120.570 -0.019 0.000 2.395 121 I HA 0.064 4.234 4.170 -0.000 0.000 0.289 121 I C 1.887 177.985 176.117 -0.031 0.000 1.023 121 I CA 0.304 61.589 61.300 -0.025 0.000 1.350 121 I CB 0.473 38.453 38.000 -0.033 0.000 1.409 121 I HN 0.547 nan 8.210 nan 0.000 0.507 122 G N 5.141 113.923 108.800 -0.031 0.000 2.491 122 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.218 122 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.218 122 G C 0.639 175.509 174.900 -0.050 0.000 1.180 122 G CA 0.843 45.923 45.100 -0.034 0.000 0.774 122 G HN 0.869 nan 8.290 nan 0.000 0.562 123 S N -1.028 114.626 115.700 -0.077 0.000 4.657 123 S HA -0.210 4.260 4.470 -0.000 0.000 0.552 123 S C 0.390 174.939 174.600 -0.085 0.000 0.907 123 S CA 1.448 59.584 58.200 -0.108 0.000 1.210 123 S CB -0.351 62.785 63.200 -0.106 0.000 2.295 123 S HN 0.623 nan 8.310 nan 0.000 0.323 124 K N 1.281 121.624 120.400 -0.096 0.000 2.447 124 K HA 0.495 4.815 4.320 -0.000 0.000 0.205 124 K C 0.232 176.797 176.600 -0.058 0.000 1.059 124 K CA 0.461 56.712 56.287 -0.060 0.000 1.065 124 K CB 1.099 33.576 32.500 -0.039 0.000 0.885 124 K HN 0.893 nan 8.250 nan 0.000 0.545 125 A N 1.177 123.939 122.820 -0.096 0.000 2.520 125 A HA 0.635 4.955 4.320 -0.000 0.000 0.298 125 A C -1.125 176.404 177.584 -0.093 0.000 1.051 125 A CA -0.829 51.164 52.037 -0.074 0.000 0.690 125 A CB 1.303 20.273 19.000 -0.050 0.000 1.281 125 A HN 0.109 nan 8.150 nan 0.000 0.402 126 R N 0.465 120.935 120.500 -0.050 0.000 2.832 126 R HA 0.787 5.127 4.340 -0.000 0.000 0.271 126 R C -0.620 175.667 176.300 -0.023 0.000 0.996 126 R CA -0.844 55.228 56.100 -0.046 0.000 0.977 126 R CB 2.414 32.696 30.300 -0.030 0.000 1.168 126 R HN 0.717 nan 8.270 nan 0.000 0.482 127 R N 1.152 121.638 120.500 -0.022 0.000 2.564 127 R HA 0.277 4.616 4.340 -0.000 0.000 0.284 127 R C -0.809 175.492 176.300 0.001 0.000 1.031 127 R CA -0.806 55.294 56.100 -0.000 0.000 0.904 127 R CB 1.794 32.099 30.300 0.007 0.000 1.199 127 R HN 0.537 nan 8.270 nan 0.000 0.443 128 R N 1.573 122.078 120.500 0.009 0.000 2.585 128 R HA -0.037 4.303 4.340 -0.000 0.000 0.275 128 R C 1.539 177.843 176.300 0.007 0.000 1.018 128 R CA 0.216 56.320 56.100 0.007 0.000 1.072 128 R CB 0.708 31.014 30.300 0.010 0.000 0.953 128 R HN 0.528 nan 8.270 nan 0.000 0.419 129 V N 1.069 120.981 119.914 -0.003 0.000 3.041 129 V HA 0.056 4.176 4.120 -0.000 0.000 0.260 129 V C 1.182 177.266 176.094 -0.017 0.000 1.105 129 V CA 1.820 64.122 62.300 0.003 0.000 1.125 129 V CB 0.058 31.870 31.823 -0.019 0.000 0.730 129 V HN 0.846 nan 8.190 nan 0.000 0.479 130 G N 0.178 108.948 108.800 -0.049 0.000 3.434 130 G HA2 0.344 4.304 3.960 -0.000 0.000 0.258 130 G HA3 0.344 4.304 3.960 -0.000 0.000 0.258 130 G C 0.379 175.266 174.900 -0.021 0.000 1.128 130 G CA -0.504 44.547 45.100 -0.082 0.000 0.792 130 G HN 0.464 nan 8.290 nan 0.000 0.539 131 L N 0.809 122.038 121.223 0.010 0.000 2.593 131 L HA 0.019 4.359 4.340 -0.000 0.000 0.287 131 L C 1.093 177.983 176.870 0.032 0.000 1.243 131 L CA 0.264 55.119 54.840 0.025 0.000 0.890 131 L CB 0.483 42.562 42.059 0.034 0.000 1.134 131 L HN 0.133 nan 8.230 nan 0.000 0.502 132 K N 1.962 122.383 120.400 0.036 0.000 2.276 132 K HA 0.351 4.671 4.320 -0.000 0.000 0.259 132 K C -0.101 176.523 176.600 0.040 0.000 1.001 132 K CA -0.338 55.976 56.287 0.044 0.000 0.927 132 K CB 0.786 33.312 32.500 0.043 0.000 0.969 132 K HN 0.680 nan 8.250 nan 0.000 0.490 133 A N 3.957 126.803 122.820 0.042 0.000 2.316 133 A HA 0.392 4.712 4.320 -0.000 0.000 0.284 133 A C -2.278 175.309 177.584 0.006 0.000 1.115 133 A CA -1.518 50.536 52.037 0.029 0.000 0.812 133 A CB 0.001 19.023 19.000 0.035 0.000 1.064 133 A HN 0.580 nan 8.150 nan 0.000 0.489 134 P HA 0.113 nan 4.420 nan 0.000 0.263 134 P C 0.838 178.098 177.300 -0.066 0.000 1.175 134 P CA 0.879 63.933 63.100 -0.076 0.000 0.761 134 P CB 0.484 32.112 31.700 -0.121 0.000 0.794 135 G N 1.985 110.740 108.800 -0.075 0.000 2.529 135 G HA2 0.057 4.017 3.960 -0.000 0.000 0.234 135 G HA3 0.057 4.017 3.960 -0.000 0.000 0.234 135 G C 1.044 175.905 174.900 -0.064 0.000 1.527 135 G CA -0.370 44.701 45.100 -0.047 0.000 1.062 135 G HN 0.417 nan 8.290 nan 0.000 0.558 136 I N -0.106 120.437 120.570 -0.046 0.000 2.260 136 I HA -0.033 4.137 4.170 -0.000 0.000 0.237 136 I C 2.694 178.772 176.117 -0.065 0.000 1.075 136 I CA 0.295 61.570 61.300 -0.043 0.000 1.376 136 I CB -0.216 37.773 38.000 -0.018 0.000 1.107 136 I HN 0.200 nan 8.210 nan 0.000 0.420 137 I N 1.327 121.867 120.570 -0.050 0.000 2.229 137 I HA -0.221 3.949 4.170 -0.000 0.000 0.250 137 I C -0.231 175.824 176.117 -0.104 0.000 1.096 137 I CA 2.028 63.304 61.300 -0.039 0.000 1.358 137 I CB -2.787 35.222 38.000 0.015 0.000 1.047 137 I HN 0.229 nan 8.210 nan 0.000 0.422 138 P HA -0.047 nan 4.420 nan 0.000 0.226 138 P C 0.589 177.657 177.300 -0.387 0.000 1.153 138 P CA 0.885 63.580 63.100 -0.676 0.000 0.777 138 P CB 0.122 31.077 31.700 -1.243 0.000 0.794 139 R N -0.456 119.921 120.500 -0.206 0.000 2.546 139 R HA 0.594 4.934 4.340 -0.000 0.000 0.266 139 R C -0.167 176.104 176.300 -0.048 0.000 1.086 139 R CA -0.544 55.490 56.100 -0.109 0.000 1.160 139 R CB 0.329 30.583 30.300 -0.076 0.000 1.138 139 R HN -0.053 nan 8.270 nan 0.000 0.567 140 I N -1.140 119.418 120.570 -0.020 0.000 2.913 140 I HA 0.203 4.373 4.170 -0.000 0.000 0.302 140 I C -0.863 175.255 176.117 0.001 0.000 1.246 140 I CA -0.197 61.103 61.300 0.000 0.000 1.010 140 I CB 2.502 40.513 38.000 0.018 0.000 1.259 140 I HN 0.533 nan 8.210 nan 0.000 0.434 141 S N 3.424 119.125 115.700 0.002 0.000 2.573 141 S HA 0.125 4.595 4.470 -0.000 0.000 0.297 141 S C -0.214 174.385 174.600 -0.003 0.000 1.280 141 S CA -0.383 57.817 58.200 -0.001 0.000 1.061 141 S CB 0.163 63.362 63.200 -0.001 0.000 0.812 141 S HN 0.432 nan 8.310 nan 0.000 0.500 142 V N 5.327 125.237 119.914 -0.006 0.000 2.421 142 V HA 0.092 4.212 4.120 -0.000 0.000 0.271 142 V C 1.130 177.211 176.094 -0.022 0.000 1.031 142 V CA 0.669 62.961 62.300 -0.013 0.000 1.032 142 V CB 0.225 32.041 31.823 -0.012 0.000 1.009 142 V HN 0.818 nan 8.190 nan 0.000 0.477 143 R N 2.165 122.646 120.500 -0.032 0.000 2.383 143 R HA 0.220 4.560 4.340 -0.000 0.000 0.205 143 R C 0.193 176.454 176.300 -0.064 0.000 0.875 143 R CA -0.190 55.887 56.100 -0.039 0.000 1.039 143 R CB 0.607 30.890 30.300 -0.028 0.000 1.267 143 R HN 0.649 nan 8.270 nan 0.000 0.635 144 E N 2.577 122.721 120.200 -0.093 0.000 2.289 144 E HA 0.153 4.503 4.350 -0.000 0.000 0.278 144 E C -2.462 174.049 176.600 -0.149 0.000 1.032 144 E CA -2.045 54.267 56.400 -0.146 0.000 0.854 144 E CB 0.747 30.308 29.700 -0.231 0.000 1.046 144 E HN -0.085 nan 8.360 nan 0.000 0.409 145 P HA 0.031 nan 4.420 nan 0.000 0.272 145 P C -0.669 176.546 177.300 -0.142 0.000 1.223 145 P CA -0.092 62.933 63.100 -0.125 0.000 0.784 145 P CB 0.507 32.137 31.700 -0.118 0.000 0.923 146 M N 2.677 122.228 119.600 -0.082 0.000 1.999 146 M HA 0.167 4.647 4.480 -0.000 0.000 0.299 146 M C -1.033 175.266 176.300 -0.002 0.000 0.900 146 M CA -0.510 54.762 55.300 -0.047 0.000 0.904 146 M CB 0.790 33.372 32.600 -0.031 0.000 1.477 146 M HN 0.303 nan 8.290 nan 0.000 0.403 147 Q N 2.352 122.176 119.800 0.039 0.000 2.307 147 Q HA 0.219 4.559 4.340 -0.000 0.000 0.259 147 Q C 1.243 177.295 176.000 0.087 0.000 0.998 147 Q CA 0.117 55.969 55.803 0.082 0.000 0.923 147 Q CB 0.961 29.798 28.738 0.166 0.000 1.196 147 Q HN 0.776 nan 8.270 nan 0.000 0.416 148 T N -1.230 113.353 114.554 0.048 0.000 2.896 148 T HA 0.087 4.437 4.350 -0.000 0.000 0.263 148 T C 1.261 175.974 174.700 0.022 0.000 1.050 148 T CA 0.773 62.893 62.100 0.034 0.000 1.140 148 T CB 0.093 68.975 68.868 0.022 0.000 0.877 148 T HN 0.809 nan 8.240 nan 0.000 0.457 149 G N 1.314 110.127 108.800 0.021 0.000 2.176 149 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.232 149 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.232 149 G C 0.022 174.916 174.900 -0.010 0.000 0.986 149 G CA -0.065 45.036 45.100 0.002 0.000 0.643 149 G HN 0.642 nan 8.290 nan 0.000 0.522 150 I N 1.501 122.068 120.570 -0.004 0.000 2.291 150 I HA 0.265 4.435 4.170 -0.000 0.000 0.290 150 I C 1.601 177.717 176.117 -0.002 0.000 1.050 150 I CA -0.699 60.595 61.300 -0.009 0.000 1.245 150 I CB 1.241 39.237 38.000 -0.006 0.000 1.405 150 I HN 0.013 nan 8.210 nan 0.000 0.478 151 K N 4.370 124.767 120.400 -0.005 0.000 2.015 151 K HA -0.305 4.015 4.320 -0.000 0.000 0.220 151 K C 2.171 178.773 176.600 0.003 0.000 1.055 151 K CA 2.229 58.516 56.287 -0.001 0.000 0.951 151 K CB -0.294 32.203 32.500 -0.004 0.000 0.725 151 K HN 0.803 nan 8.250 nan 0.000 0.449 152 A N 0.857 123.678 122.820 0.002 0.000 1.915 152 A HA -0.241 4.079 4.320 -0.000 0.000 0.220 152 A C 2.411 180.004 177.584 0.014 0.000 1.198 152 A CA 2.386 54.428 52.037 0.009 0.000 0.647 152 A CB -1.008 17.997 19.000 0.008 0.000 0.825 152 A HN 0.143 nan 8.150 nan 0.000 0.456 153 V N 0.281 120.203 119.914 0.014 0.000 2.239 153 V HA -0.195 3.925 4.120 -0.000 0.000 0.242 153 V C 2.109 178.212 176.094 0.015 0.000 1.038 153 V CA 2.119 64.430 62.300 0.017 0.000 1.002 153 V CB -0.903 30.931 31.823 0.018 0.000 0.641 153 V HN 0.509 nan 8.190 nan 0.000 0.449 154 D N 0.527 120.935 120.400 0.012 0.000 2.311 154 D HA -0.113 4.527 4.640 -0.000 0.000 0.212 154 D C 2.287 178.593 176.300 0.009 0.000 0.972 154 D CA 1.721 55.727 54.000 0.011 0.000 0.887 154 D CB -0.052 40.755 40.800 0.013 0.000 0.915 154 D HN 0.634 nan 8.370 nan 0.000 0.497 155 S N -1.083 114.623 115.700 0.010 0.000 2.475 155 S HA 0.111 4.581 4.470 -0.000 0.000 0.224 155 S C 1.897 176.504 174.600 0.012 0.000 1.042 155 S CA -0.079 58.127 58.200 0.009 0.000 0.935 155 S CB 0.110 63.315 63.200 0.008 0.000 0.801 155 S HN 0.180 nan 8.310 nan 0.000 0.509 156 L N 1.079 122.312 121.223 0.016 0.000 2.515 156 L HA 0.371 4.711 4.340 -0.000 0.000 0.202 156 L C 0.610 177.494 176.870 0.022 0.000 1.056 156 L CA 0.224 55.077 54.840 0.021 0.000 0.847 156 L CB 0.025 42.100 42.059 0.027 0.000 1.131 156 L HN 0.288 nan 8.230 nan 0.000 0.484 157 V N -1.127 118.800 119.914 0.023 0.000 2.412 157 V HA 0.377 4.497 4.120 -0.000 0.000 0.270 157 V C -2.474 173.630 176.094 0.017 0.000 1.169 157 V CA -1.911 60.404 62.300 0.024 0.000 1.319 157 V CB -0.501 31.342 31.823 0.033 0.000 1.467 157 V HN -0.004 nan 8.190 nan 0.000 0.535 158 P HA 0.301 nan 4.420 nan 0.000 0.268 158 P C -0.304 176.997 177.300 0.002 0.000 1.204 158 P CA 0.317 63.419 63.100 0.004 0.000 0.768 158 P CB 1.535 33.235 31.700 -0.001 0.000 0.842 159 I N 1.799 122.368 120.570 -0.002 0.000 2.493 159 I HA 0.515 4.684 4.170 -0.000 0.000 0.298 159 I C 1.012 177.116 176.117 -0.021 0.000 0.998 159 I CA -0.692 60.605 61.300 -0.006 0.000 1.137 159 I CB 2.096 40.096 38.000 0.000 0.000 1.310 159 I HN 0.329 nan 8.210 nan 0.000 0.445 160 G N 3.900 112.686 108.800 -0.023 0.000 2.432 160 G HA2 0.495 4.455 3.960 -0.000 0.000 0.331 160 G HA3 0.495 4.455 3.960 -0.000 0.000 0.331 160 G C -0.500 174.375 174.900 -0.043 0.000 1.170 160 G CA -0.857 44.218 45.100 -0.041 0.000 0.943 160 G HN 0.549 nan 8.290 nan 0.000 0.483 161 R N 0.664 121.119 120.500 -0.075 0.000 2.413 161 R HA 0.371 4.711 4.340 -0.000 0.000 0.333 161 R C 1.061 177.350 176.300 -0.019 0.000 1.074 161 R CA 0.991 57.049 56.100 -0.071 0.000 0.982 161 R CB 0.263 30.450 30.300 -0.190 0.000 0.981 161 R HN 1.009 nan 8.270 nan 0.000 0.452 162 G N 1.734 110.539 108.800 0.009 0.000 2.273 162 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.162 162 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.162 162 G C 0.060 174.969 174.900 0.015 0.000 1.006 162 G CA -0.547 44.567 45.100 0.024 0.000 0.704 162 G HN 0.536 nan 8.290 nan 0.000 0.487 163 Q N -0.267 119.538 119.800 0.007 0.000 2.249 163 Q HA 0.734 5.074 4.340 -0.000 0.000 0.226 163 Q C -0.315 175.694 176.000 0.014 0.000 0.983 163 Q CA -0.722 55.086 55.803 0.008 0.000 0.930 163 Q CB 0.571 29.311 28.738 0.003 0.000 1.193 163 Q HN 0.163 nan 8.270 nan 0.000 0.508 164 R N 1.805 122.315 120.500 0.016 0.000 2.443 164 R HA 0.235 4.575 4.340 -0.000 0.000 0.287 164 R C -1.520 174.790 176.300 0.017 0.000 1.425 164 R CA -0.474 55.638 56.100 0.020 0.000 1.300 164 R CB 1.141 31.455 30.300 0.023 0.000 1.129 164 R HN 0.390 nan 8.270 nan 0.000 0.577 165 E N 2.061 122.269 120.200 0.014 0.000 2.200 165 E HA 0.248 4.598 4.350 -0.000 0.000 0.283 165 E C -1.110 175.500 176.600 0.017 0.000 1.015 165 E CA -0.812 55.599 56.400 0.017 0.000 0.819 165 E CB 0.833 30.544 29.700 0.017 0.000 1.081 165 E HN 0.353 nan 8.360 nan 0.000 0.397 166 L N 5.755 126.990 121.223 0.020 0.000 2.265 166 L HA 0.509 4.849 4.340 -0.000 0.000 0.289 166 L C -1.077 175.813 176.870 0.032 0.000 1.033 166 L CA -0.172 54.677 54.840 0.016 0.000 0.814 166 L CB 0.557 42.620 42.059 0.006 0.000 1.203 166 L HN 0.542 nan 8.230 nan 0.000 0.423 167 I N 6.370 126.959 120.570 0.032 0.000 2.371 167 I HA 0.386 4.556 4.170 -0.000 0.000 0.290 167 I C -0.005 176.149 176.117 0.062 0.000 1.028 167 I CA 0.026 61.358 61.300 0.054 0.000 1.345 167 I CB 1.098 39.124 38.000 0.043 0.000 1.407 167 I HN 0.677 nan 8.210 nan 0.000 0.501 168 I N 4.810 125.447 120.570 0.111 0.000 2.802 168 I HA 0.865 5.035 4.170 -0.000 0.000 0.298 168 I C -0.398 175.866 176.117 0.245 0.000 1.176 168 I CA -0.069 61.305 61.300 0.124 0.000 1.025 168 I CB 2.133 40.175 38.000 0.070 0.000 1.243 168 I HN 0.726 nan 8.210 nan 0.000 0.424 169 G N 4.652 113.574 108.800 0.204 0.000 2.322 169 G HA2 0.185 4.145 3.960 -0.000 0.000 0.295 169 G HA3 0.185 4.145 3.960 -0.000 0.000 0.295 169 G C -1.969 173.022 174.900 0.152 0.000 1.369 169 G CA -0.724 44.537 45.100 0.268 0.000 0.821 169 G HN 0.512 nan 8.290 nan 0.000 0.536 170 D N -0.006 120.475 120.400 0.135 0.000 2.384 170 D HA 0.381 5.021 4.640 -0.000 0.000 0.244 170 D C 1.282 177.596 176.300 0.022 0.000 1.251 170 D CA -0.128 53.918 54.000 0.077 0.000 0.961 170 D CB 0.489 41.330 40.800 0.068 0.000 1.116 170 D HN 0.660 nan 8.370 nan 0.000 0.484 171 R N 0.515 121.024 120.500 0.014 0.000 2.643 171 R HA 0.040 4.380 4.340 -0.000 0.000 0.270 171 R C -0.331 175.930 176.300 -0.065 0.000 1.061 171 R CA -0.231 55.863 56.100 -0.009 0.000 1.107 171 R CB 0.336 30.641 30.300 0.008 0.000 0.999 171 R HN 0.186 nan 8.270 nan 0.000 0.460 172 Q N 0.726 120.471 119.800 -0.091 0.000 2.459 172 Q HA -0.132 4.208 4.340 -0.000 0.000 0.322 172 Q C -0.258 175.519 176.000 -0.372 0.000 1.427 172 Q CA 1.631 57.324 55.803 -0.183 0.000 0.861 172 Q CB -1.568 27.078 28.738 -0.153 0.000 1.137 172 Q HN 1.015 nan 8.270 nan 0.000 0.394 173 T N -5.632 108.735 114.554 -0.312 0.000 3.058 173 T HA 0.489 4.839 4.350 -0.000 0.000 0.278 173 T C 1.140 175.688 174.700 -0.253 0.000 0.974 173 T CA 0.829 62.684 62.100 -0.409 0.000 0.893 173 T CB 1.275 70.015 68.868 -0.214 0.000 1.138 173 T HN 0.791 nan 8.240 nan 0.000 0.529 174 G N 1.905 110.613 108.800 -0.153 0.000 2.307 174 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.210 174 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.210 174 G C 0.916 175.819 174.900 0.005 0.000 1.005 174 G CA 0.264 45.352 45.100 -0.020 0.000 0.634 174 G HN 0.459 nan 8.290 nan 0.000 0.496 175 K N -0.004 120.394 120.400 -0.002 0.000 2.008 175 K HA -0.294 4.026 4.320 -0.000 0.000 0.231 175 K C 2.494 179.118 176.600 0.041 0.000 1.031 175 K CA 2.905 59.207 56.287 0.024 0.000 0.995 175 K CB -0.818 31.696 32.500 0.024 0.000 0.747 175 K HN 0.426 nan 8.250 nan 0.000 0.447 176 T N 0.711 115.296 114.554 0.052 0.000 2.665 176 T HA -0.154 4.196 4.350 -0.000 0.000 0.268 176 T C 2.047 176.800 174.700 0.089 0.000 1.035 176 T CA 1.799 63.955 62.100 0.093 0.000 1.151 176 T CB -0.335 68.601 68.868 0.114 0.000 0.862 176 T HN 0.246 nan 8.240 nan 0.000 0.438 177 S N 1.176 116.912 115.700 0.061 0.000 2.402 177 S HA -0.092 4.378 4.470 -0.000 0.000 0.233 177 S C 1.992 176.614 174.600 0.036 0.000 1.030 177 S CA 0.807 59.036 58.200 0.049 0.000 1.003 177 S CB -0.428 62.794 63.200 0.037 0.000 0.813 177 S HN 0.357 nan 8.310 nan 0.000 0.477 178 I N 1.823 122.416 120.570 0.038 0.000 2.226 178 I HA -0.168 4.002 4.170 -0.000 0.000 0.245 178 I C 2.735 178.878 176.117 0.044 0.000 1.100 178 I CA 1.344 62.663 61.300 0.031 0.000 1.374 178 I CB -1.699 36.321 38.000 0.033 0.000 1.057 178 I HN 0.272 nan 8.210 nan 0.000 0.413 179 A N 0.918 123.779 122.820 0.068 0.000 1.933 179 A HA -0.147 4.173 4.320 -0.000 0.000 0.218 179 A C 2.209 179.856 177.584 0.103 0.000 1.175 179 A CA 1.170 53.263 52.037 0.093 0.000 0.628 179 A CB -0.466 18.616 19.000 0.136 0.000 0.814 179 A HN 0.264 nan 8.150 nan 0.000 0.444 180 I N 0.333 120.959 120.570 0.093 0.000 2.286 180 I HA -0.150 4.020 4.170 -0.000 0.000 0.245 180 I C 1.602 177.754 176.117 0.057 0.000 1.104 180 I CA 1.508 62.851 61.300 0.072 0.000 1.397 180 I CB -1.496 36.551 38.000 0.077 0.000 1.072 180 I HN 0.244 nan 8.210 nan 0.000 0.417 181 D N 0.275 120.688 120.400 0.021 0.000 2.219 181 D HA -0.108 4.532 4.640 -0.000 0.000 0.205 181 D C 2.168 178.472 176.300 0.006 0.000 0.970 181 D CA 1.090 55.078 54.000 -0.020 0.000 0.851 181 D CB 0.023 40.787 40.800 -0.061 0.000 0.943 181 D HN 0.222 nan 8.370 nan 0.000 0.488 182 T N 0.386 114.957 114.554 0.029 0.000 2.668 182 T HA -0.057 4.293 4.350 -0.000 0.000 0.262 182 T C 2.144 176.879 174.700 0.057 0.000 1.045 182 T CA 0.599 62.722 62.100 0.039 0.000 1.152 182 T CB -0.241 68.655 68.868 0.047 0.000 0.864 182 T HN 0.123 nan 8.240 nan 0.000 0.419 183 I N 0.786 121.406 120.570 0.083 0.000 2.127 183 I HA -0.192 3.978 4.170 -0.000 0.000 0.241 183 I C 2.321 178.535 176.117 0.162 0.000 1.075 183 I CA 1.495 62.875 61.300 0.133 0.000 1.334 183 I CB -0.536 37.529 38.000 0.107 0.000 1.040 183 I HN 0.209 nan 8.210 nan 0.000 0.405 184 I N 0.851 121.481 120.570 0.100 0.000 2.151 184 I HA -0.360 3.810 4.170 -0.000 0.000 0.243 184 I C 2.279 178.425 176.117 0.048 0.000 1.080 184 I CA 1.806 63.164 61.300 0.097 0.000 1.339 184 I CB -0.692 37.361 38.000 0.090 0.000 1.039 184 I HN 0.323 nan 8.210 nan 0.000 0.409 185 N N 0.642 119.336 118.700 -0.010 0.000 2.322 185 N HA -0.225 4.515 4.740 -0.000 0.000 0.189 185 N C 1.689 177.039 175.510 -0.266 0.000 1.012 185 N CA 1.151 54.138 53.050 -0.104 0.000 0.880 185 N CB -0.002 38.450 38.487 -0.059 0.000 0.967 185 N HN 0.306 nan 8.380 nan 0.000 0.439 186 Q N -0.000 119.682 119.800 -0.196 0.000 2.472 186 Q HA -0.036 4.304 4.340 -0.000 0.000 0.208 186 Q C 1.578 177.202 176.000 -0.628 0.000 0.958 186 Q CA 0.375 55.923 55.803 -0.425 0.000 0.932 186 Q CB -0.035 28.520 28.738 -0.305 0.000 1.007 186 Q HN 0.518 nan 8.270 nan 0.000 0.508 187 K N 1.292 121.479 120.400 -0.354 0.000 2.020 187 K HA -0.176 4.144 4.320 -0.000 0.000 0.212 187 K C 1.863 178.237 176.600 -0.376 0.000 1.050 187 K CA 1.139 57.273 56.287 -0.256 0.000 0.929 187 K CB 0.122 32.586 32.500 -0.060 0.000 0.714 187 K HN 0.110 nan 8.250 nan 0.000 0.443 188 R N -0.176 120.025 120.500 -0.498 0.000 2.222 188 R HA -0.241 4.099 4.340 -0.000 0.000 0.235 188 R C 2.352 178.451 176.300 -0.335 0.000 1.112 188 R CA 2.656 58.466 56.100 -0.484 0.000 0.897 188 R CB -1.228 28.623 30.300 -0.748 0.000 0.882 188 R HN 0.293 nan 8.270 nan 0.000 0.429 189 F N 1.011 120.869 119.950 -0.152 0.000 2.095 189 F HA -0.163 4.364 4.527 -0.000 0.000 0.298 189 F C 2.300 177.985 175.800 -0.192 0.000 1.104 189 F CA 0.560 58.465 58.000 -0.158 0.000 1.232 189 F CB -0.577 38.320 39.000 -0.172 0.000 0.987 189 F HN 0.049 nan 8.300 nan 0.000 0.475 190 N N 0.248 118.833 118.700 -0.192 0.000 2.348 190 N HA -0.149 4.591 4.740 -0.000 0.000 0.185 190 N C 0.959 176.380 175.510 -0.148 0.000 1.019 190 N CA 1.318 54.199 53.050 -0.281 0.000 0.880 190 N CB -0.466 37.653 38.487 -0.613 0.000 0.965 190 N HN 0.390 nan 8.380 nan 0.000 0.437 191 D N -0.584 119.746 120.400 -0.116 0.000 2.392 191 D HA 0.099 4.739 4.640 -0.000 0.000 0.206 191 D C 1.357 177.639 176.300 -0.030 0.000 1.046 191 D CA 0.138 54.103 54.000 -0.058 0.000 0.865 191 D CB 0.077 40.843 40.800 -0.058 0.000 0.969 191 D HN 0.115 nan 8.370 nan 0.000 0.509 192 G N 0.053 108.841 108.800 -0.019 0.000 2.479 192 G HA2 0.120 4.080 3.960 -0.000 0.000 0.275 192 G HA3 0.120 4.080 3.960 -0.000 0.000 0.275 192 G C 0.892 175.799 174.900 0.011 0.000 1.421 192 G CA 0.305 45.410 45.100 0.008 0.000 1.059 192 G HN 0.027 nan 8.290 nan 0.000 0.535 193 T N -0.810 113.753 114.554 0.016 0.000 2.990 193 T HA 0.102 4.452 4.350 -0.000 0.000 0.249 193 T C 0.336 175.045 174.700 0.015 0.000 1.039 193 T CA 0.254 62.362 62.100 0.013 0.000 1.036 193 T CB 0.178 69.051 68.868 0.008 0.000 0.994 193 T HN 0.401 nan 8.240 nan 0.000 0.489 194 D N 1.910 122.319 120.400 0.016 0.000 2.393 194 D HA 0.190 4.830 4.640 -0.000 0.000 0.232 194 D C 1.015 177.324 176.300 0.016 0.000 1.192 194 D CA -0.152 53.852 54.000 0.008 0.000 0.882 194 D CB 1.092 41.886 40.800 -0.010 0.000 1.038 194 D HN -0.026 nan 8.370 nan 0.000 0.499 195 E N 2.890 123.105 120.200 0.026 0.000 2.160 195 E HA -0.199 4.151 4.350 -0.000 0.000 0.195 195 E C 1.335 177.970 176.600 0.058 0.000 0.991 195 E CA 1.396 57.824 56.400 0.046 0.000 0.810 195 E CB 0.238 29.967 29.700 0.048 0.000 0.742 195 E HN 0.462 nan 8.360 nan 0.000 0.466 196 K N -0.087 120.339 120.400 0.043 0.000 2.147 196 K HA -0.062 4.258 4.320 -0.000 0.000 0.205 196 K C 1.529 178.156 176.600 0.045 0.000 1.049 196 K CA 0.993 57.323 56.287 0.071 0.000 0.936 196 K CB 0.031 32.554 32.500 0.038 0.000 0.722 196 K HN -0.030 nan 8.250 nan 0.000 0.446 197 K N 1.290 121.658 120.400 -0.054 0.000 2.437 197 K HA 0.079 4.399 4.320 -0.000 0.000 0.198 197 K C -0.128 176.401 176.600 -0.119 0.000 1.024 197 K CA 0.168 56.331 56.287 -0.206 0.000 1.148 197 K CB 0.332 32.608 32.500 -0.373 0.000 0.860 197 K HN 0.113 nan 8.250 nan 0.000 0.515 198 K N 1.331 121.729 120.400 -0.002 0.000 2.249 198 K HA 0.219 4.539 4.320 -0.000 0.000 0.280 198 K C -0.676 175.864 176.600 -0.100 0.000 1.033 198 K CA -0.414 55.836 56.287 -0.062 0.000 0.946 198 K CB 0.815 33.262 32.500 -0.088 0.000 1.005 198 K HN -0.135 nan 8.250 nan 0.000 0.469 199 L N 3.781 124.836 121.223 -0.280 0.000 2.409 199 L HA 0.352 4.692 4.340 -0.000 0.000 0.272 199 L C -1.716 174.864 176.870 -0.482 0.000 0.980 199 L CA -0.495 54.214 54.840 -0.217 0.000 0.826 199 L CB 1.082 43.109 42.059 -0.053 0.000 1.268 199 L HN 0.449 nan 8.230 nan 0.000 0.407 200 Y N 3.253 123.445 120.300 -0.179 0.000 2.330 200 Y HA 0.527 5.077 4.550 -0.000 0.000 0.336 200 Y C 0.106 175.957 175.900 -0.082 0.000 1.036 200 Y CA -0.363 57.612 58.100 -0.209 0.000 1.125 200 Y CB 1.362 39.398 38.460 -0.707 0.000 1.194 200 Y HN 0.491 nan 8.280 nan 0.000 0.469 201 C N 4.983 124.394 119.300 0.185 0.000 2.351 201 C HA 0.637 5.097 4.460 -0.000 0.000 0.326 201 C C 0.068 175.145 174.990 0.144 0.000 1.272 201 C CA -1.157 57.953 59.018 0.153 0.000 1.650 201 C CB -0.205 27.646 27.740 0.184 0.000 2.257 201 C HN 0.662 nan 8.230 nan 0.000 0.505 202 I N 2.950 123.585 120.570 0.108 0.000 2.354 202 I HA 0.255 4.425 4.170 -0.000 0.000 0.286 202 I C -0.673 175.471 176.117 0.045 0.000 1.007 202 I CA -0.321 61.035 61.300 0.094 0.000 1.167 202 I CB 0.589 38.636 38.000 0.078 0.000 1.320 202 I HN 0.638 nan 8.210 nan 0.000 0.458 203 Y N 7.093 127.374 120.300 -0.031 0.000 2.328 203 Y HA 0.625 5.175 4.550 -0.000 0.000 0.337 203 Y C -0.770 175.105 175.900 -0.041 0.000 1.008 203 Y CA -0.548 57.523 58.100 -0.047 0.000 1.129 203 Y CB 1.175 39.615 38.460 -0.032 0.000 1.185 203 Y HN 0.234 nan 8.280 nan 0.000 0.476 204 V N 6.258 125.874 119.914 -0.497 0.000 2.407 204 V HA 0.655 4.775 4.120 -0.000 0.000 0.291 204 V C -0.347 175.542 176.094 -0.342 0.000 1.018 204 V CA -0.849 61.299 62.300 -0.254 0.000 0.842 204 V CB 1.114 32.855 31.823 -0.137 0.000 0.996 204 V HN 0.933 nan 8.190 nan 0.000 0.426 205 A N 6.363 129.137 122.820 -0.078 0.000 2.260 205 A HA 0.873 5.193 4.320 -0.000 0.000 0.308 205 A C -0.773 176.822 177.584 0.019 0.000 1.254 205 A CA -0.250 51.797 52.037 0.017 0.000 0.874 205 A CB 0.181 19.304 19.000 0.205 0.000 1.153 205 A HN 0.678 nan 8.150 nan 0.000 0.527 206 I N 1.631 122.207 120.570 0.010 0.000 2.433 206 I HA 0.577 4.747 4.170 -0.000 0.000 0.292 206 I C 1.230 177.377 176.117 0.051 0.000 1.001 206 I CA 0.477 61.795 61.300 0.031 0.000 1.119 206 I CB 1.702 39.713 38.000 0.018 0.000 1.289 206 I HN 0.986 nan 8.210 nan 0.000 0.438 207 G N 3.513 112.352 108.800 0.064 0.000 2.200 207 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.268 207 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.268 207 G C 0.516 175.452 174.900 0.060 0.000 0.986 207 G CA 0.820 45.960 45.100 0.067 0.000 0.677 207 G HN 0.656 nan 8.290 nan 0.000 0.532 208 Q N -0.344 119.493 119.800 0.061 0.000 2.527 208 Q HA 0.581 4.921 4.340 -0.000 0.000 0.189 208 Q C 0.660 176.693 176.000 0.054 0.000 1.116 208 Q CA 0.045 55.886 55.803 0.063 0.000 1.169 208 Q CB 0.316 29.104 28.738 0.083 0.000 1.211 208 Q HN 0.339 nan 8.270 nan 0.000 0.649 209 K N -0.016 120.414 120.400 0.050 0.000 2.221 209 K HA 0.264 4.583 4.320 -0.000 0.000 0.258 209 K C 0.592 177.213 176.600 0.035 0.000 0.944 209 K CA -0.577 55.733 56.287 0.038 0.000 0.823 209 K CB 0.837 33.357 32.500 0.032 0.000 1.113 209 K HN 0.525 nan 8.250 nan 0.000 0.431 210 R N 0.870 121.387 120.500 0.029 0.000 2.096 210 R HA -0.142 4.198 4.340 -0.000 0.000 0.240 210 R C 1.811 178.118 176.300 0.013 0.000 1.139 210 R CA 2.131 58.244 56.100 0.022 0.000 0.952 210 R CB -0.529 29.782 30.300 0.017 0.000 0.854 210 R HN 0.680 nan 8.270 nan 0.000 0.436 211 S N 0.512 116.218 115.700 0.011 0.000 2.368 211 S HA -0.196 4.274 4.470 -0.000 0.000 0.226 211 S C 2.093 176.693 174.600 0.001 0.000 1.044 211 S CA 2.216 60.418 58.200 0.004 0.000 1.062 211 S CB -0.766 62.438 63.200 0.007 0.000 0.931 211 S HN 0.378 nan 8.310 nan 0.000 0.440 212 T N 2.325 116.885 114.554 0.010 0.000 2.665 212 T HA -0.099 4.251 4.350 -0.000 0.000 0.268 212 T C 1.930 176.628 174.700 -0.003 0.000 1.035 212 T CA 1.547 63.654 62.100 0.011 0.000 1.151 212 T CB -0.582 68.305 68.868 0.031 0.000 0.862 212 T HN 0.252 nan 8.240 nan 0.000 0.438 213 V N 1.553 121.471 119.914 0.007 0.000 2.515 213 V HA -0.131 3.989 4.120 -0.000 0.000 0.250 213 V C 2.796 178.860 176.094 -0.049 0.000 1.058 213 V CA 1.388 63.681 62.300 -0.012 0.000 1.064 213 V CB -1.264 30.575 31.823 0.027 0.000 0.675 213 V HN 0.522 nan 8.190 nan 0.000 0.461 214 A N -0.449 122.351 122.820 -0.034 0.000 1.858 214 A HA -0.244 4.076 4.320 -0.000 0.000 0.216 214 A C 2.237 179.782 177.584 -0.065 0.000 1.190 214 A CA 1.696 53.706 52.037 -0.044 0.000 0.617 214 A CB -0.491 18.492 19.000 -0.029 0.000 0.827 214 A HN 0.506 nan 8.150 nan 0.000 0.443 215 Q N -0.545 119.219 119.800 -0.060 0.000 2.014 215 Q HA -0.185 4.155 4.340 -0.000 0.000 0.207 215 Q C 2.167 178.102 176.000 -0.109 0.000 0.993 215 Q CA 1.230 56.989 55.803 -0.074 0.000 0.850 215 Q CB -0.856 27.851 28.738 -0.052 0.000 0.916 215 Q HN 0.570 nan 8.270 nan 0.000 0.417 216 L N 0.495 121.645 121.223 -0.122 0.000 2.026 216 L HA -0.230 4.110 4.340 -0.000 0.000 0.231 216 L C 2.367 179.109 176.870 -0.213 0.000 1.095 216 L CA 2.235 56.952 54.840 -0.204 0.000 0.810 216 L CB -1.145 40.743 42.059 -0.286 0.000 0.909 216 L HN 0.235 nan 8.230 nan 0.000 0.444 217 V N -0.758 119.051 119.914 -0.175 0.000 3.041 217 V HA -0.157 3.963 4.120 -0.000 0.000 0.260 217 V C 2.526 178.540 176.094 -0.132 0.000 1.105 217 V CA 1.488 63.696 62.300 -0.153 0.000 1.125 217 V CB -0.405 31.349 31.823 -0.115 0.000 0.730 217 V HN 0.463 nan 8.190 nan 0.000 0.479 218 K N 0.386 120.712 120.400 -0.123 0.000 2.116 218 K HA -0.162 4.158 4.320 -0.000 0.000 0.203 218 K C 2.296 178.804 176.600 -0.153 0.000 1.052 218 K CA 1.271 57.488 56.287 -0.118 0.000 0.952 218 K CB -0.085 32.353 32.500 -0.102 0.000 0.729 218 K HN 0.429 nan 8.250 nan 0.000 0.446 219 R N 1.265 121.657 120.500 -0.181 0.000 2.070 219 R HA -0.015 4.325 4.340 -0.000 0.000 0.232 219 R C 2.280 178.454 176.300 -0.209 0.000 1.138 219 R CA 1.448 57.400 56.100 -0.246 0.000 0.936 219 R CB -0.833 29.329 30.300 -0.229 0.000 0.839 219 R HN 0.195 nan 8.270 nan 0.000 0.429 220 L N 0.069 121.188 121.223 -0.175 0.000 2.265 220 L HA -0.129 4.211 4.340 -0.000 0.000 0.215 220 L C 1.888 178.659 176.870 -0.166 0.000 1.117 220 L CA 1.603 56.343 54.840 -0.167 0.000 0.782 220 L CB -0.388 41.551 42.059 -0.200 0.000 0.914 220 L HN 0.317 nan 8.230 nan 0.000 0.441 221 T N -1.805 112.658 114.554 -0.151 0.000 2.937 221 T HA -0.096 4.254 4.350 -0.000 0.000 0.260 221 T C 1.318 175.950 174.700 -0.112 0.000 1.051 221 T CA 0.841 62.866 62.100 -0.125 0.000 1.141 221 T CB -0.082 68.722 68.868 -0.106 0.000 0.879 221 T HN 0.247 nan 8.240 nan 0.000 0.459 222 D N 1.345 121.664 120.400 -0.135 0.000 2.347 222 D HA 0.141 4.781 4.640 -0.000 0.000 0.215 222 D C 1.680 177.918 176.300 -0.104 0.000 0.976 222 D CA 0.307 54.230 54.000 -0.129 0.000 0.884 222 D CB 0.025 40.715 40.800 -0.183 0.000 0.915 222 D HN 0.418 nan 8.370 nan 0.000 0.526 223 A N 0.228 122.991 122.820 -0.095 0.000 2.390 223 A HA 0.120 4.440 4.320 -0.000 0.000 0.232 223 A C 0.573 178.138 177.584 -0.032 0.000 1.233 223 A CA 0.232 52.249 52.037 -0.034 0.000 0.907 223 A CB 0.246 19.253 19.000 0.012 0.000 0.967 223 A HN 0.026 nan 8.150 nan 0.000 0.512 224 D N -2.333 118.029 120.400 -0.064 0.000 2.772 224 D HA -0.205 4.435 4.640 -0.000 0.000 0.233 224 D C 0.683 176.933 176.300 -0.082 0.000 1.143 224 D CA 1.110 55.076 54.000 -0.056 0.000 0.700 224 D CB -1.194 39.598 40.800 -0.014 0.000 1.076 224 D HN 0.523 nan 8.370 nan 0.000 0.430 225 A N -0.698 121.994 122.820 -0.213 0.000 2.343 225 A HA 0.205 4.524 4.320 -0.000 0.000 0.223 225 A C 2.003 179.081 177.584 -0.842 0.000 1.214 225 A CA 0.242 51.917 52.037 -0.603 0.000 0.900 225 A CB 0.015 18.790 19.000 -0.374 0.000 0.942 225 A HN 0.303 nan 8.150 nan 0.000 0.507 226 M N 1.240 120.594 119.600 -0.411 0.000 2.159 226 M HA -0.153 4.327 4.480 -0.000 0.000 0.263 226 M C 2.095 178.242 176.300 -0.255 0.000 1.063 226 M CA 1.899 57.021 55.300 -0.296 0.000 1.110 226 M CB -0.898 31.601 32.600 -0.169 0.000 1.374 226 M HN 0.695 nan 8.290 nan 0.000 0.411 227 K N 0.246 120.524 120.400 -0.203 0.000 2.360 227 K HA -0.187 4.133 4.320 -0.000 0.000 0.201 227 K C 0.739 177.375 176.600 0.061 0.000 1.046 227 K CA 1.569 57.829 56.287 -0.045 0.000 0.940 227 K CB -0.576 31.938 32.500 0.023 0.000 0.748 227 K HN 0.542 nan 8.250 nan 0.000 0.465 228 Y N -1.444 118.871 120.300 0.024 0.000 2.707 228 Y HA 0.466 5.016 4.550 -0.000 0.000 0.249 228 Y C -0.503 175.430 175.900 0.055 0.000 1.166 228 Y CA -1.096 57.033 58.100 0.048 0.000 1.184 228 Y CB 0.234 38.630 38.460 -0.107 0.000 1.240 228 Y HN -0.213 nan 8.280 nan 0.000 0.547 229 T N 2.961 117.466 114.554 -0.082 0.000 2.824 229 T HA 0.571 4.921 4.350 -0.000 0.000 0.282 229 T C -0.593 174.132 174.700 0.042 0.000 0.993 229 T CA -0.394 61.688 62.100 -0.030 0.000 0.967 229 T CB 1.304 70.056 68.868 -0.194 0.000 0.960 229 T HN 0.189 nan 8.240 nan 0.000 0.441 230 I N 3.502 124.137 120.570 0.108 0.000 2.330 230 I HA 0.341 4.511 4.170 -0.000 0.000 0.286 230 I C -0.253 175.923 176.117 0.098 0.000 1.025 230 I CA -0.838 60.527 61.300 0.107 0.000 1.197 230 I CB 1.303 39.394 38.000 0.152 0.000 1.358 230 I HN 0.224 nan 8.210 nan 0.000 0.467 231 V N 7.607 127.565 119.914 0.074 0.000 2.432 231 V HA 0.257 4.377 4.120 -0.000 0.000 0.275 231 V C 0.177 176.326 176.094 0.092 0.000 1.043 231 V CA -0.465 61.903 62.300 0.113 0.000 0.925 231 V CB 1.713 33.571 31.823 0.059 0.000 0.985 231 V HN 0.375 nan 8.190 nan 0.000 0.466 232 V N 4.632 124.609 119.914 0.104 0.000 2.384 232 V HA 0.519 4.639 4.120 -0.000 0.000 0.287 232 V C 0.070 176.205 176.094 0.068 0.000 1.020 232 V CA -0.134 62.199 62.300 0.055 0.000 0.850 232 V CB 1.789 33.627 31.823 0.025 0.000 0.987 232 V HN 0.853 nan 8.190 nan 0.000 0.436 233 S N 3.889 119.620 115.700 0.053 0.000 2.532 233 S HA 0.839 5.309 4.470 -0.000 0.000 0.299 233 S C -0.424 174.198 174.600 0.037 0.000 1.105 233 S CA -0.087 58.149 58.200 0.060 0.000 1.018 233 S CB 1.490 64.731 63.200 0.068 0.000 1.021 233 S HN 1.125 nan 8.310 nan 0.000 0.483 234 A N 3.817 126.661 122.820 0.041 0.000 2.702 234 A HA 0.586 4.906 4.320 -0.000 0.000 0.305 234 A C 0.245 177.860 177.584 0.052 0.000 1.213 234 A CA -0.559 51.502 52.037 0.040 0.000 0.745 234 A CB 0.194 19.216 19.000 0.037 0.000 1.161 234 A HN 0.933 nan 8.150 nan 0.000 0.445 235 T N -1.052 113.532 114.554 0.050 0.000 2.754 235 T HA 0.527 4.877 4.350 -0.000 0.000 0.286 235 T C 1.640 176.371 174.700 0.052 0.000 0.997 235 T CA 0.219 62.350 62.100 0.051 0.000 0.982 235 T CB 1.032 69.927 68.868 0.044 0.000 1.027 235 T HN 1.426 nan 8.240 nan 0.000 0.529 236 A N 1.389 124.239 122.820 0.050 0.000 1.954 236 A HA -0.169 4.151 4.320 -0.000 0.000 0.222 236 A C 2.501 180.112 177.584 0.046 0.000 1.199 236 A CA 2.817 54.883 52.037 0.048 0.000 0.657 236 A CB -1.715 17.310 19.000 0.042 0.000 0.823 236 A HN 1.363 nan 8.150 nan 0.000 0.463 237 S N -0.631 115.093 115.700 0.040 0.000 2.607 237 S HA 0.053 4.523 4.470 -0.000 0.000 0.224 237 S C 0.074 174.699 174.600 0.042 0.000 0.969 237 S CA 0.068 58.289 58.200 0.036 0.000 0.927 237 S CB -0.281 62.937 63.200 0.029 0.000 0.772 237 S HN 0.516 nan 8.310 nan 0.000 0.533 238 D N 2.287 122.718 120.400 0.052 0.000 2.264 238 D HA 0.523 5.163 4.640 -0.000 0.000 0.249 238 D C 0.192 176.540 176.300 0.080 0.000 1.070 238 D CA -0.058 53.979 54.000 0.063 0.000 0.912 238 D CB 1.552 42.390 40.800 0.063 0.000 1.193 238 D HN 0.349 nan 8.370 nan 0.000 0.427 239 A N 1.342 124.218 122.820 0.094 0.000 2.531 239 A HA 0.315 4.635 4.320 -0.000 0.000 0.236 239 A C 1.444 179.116 177.584 0.147 0.000 1.062 239 A CA 0.424 52.526 52.037 0.107 0.000 0.760 239 A CB 0.331 19.401 19.000 0.118 0.000 0.995 239 A HN 0.672 nan 8.150 nan 0.000 0.501 240 A N 3.665 126.563 122.820 0.130 0.000 1.909 240 A HA -0.171 4.149 4.320 -0.000 0.000 0.221 240 A C -0.032 177.711 177.584 0.266 0.000 1.223 240 A CA 2.403 54.537 52.037 0.161 0.000 0.658 240 A CB -1.982 17.084 19.000 0.110 0.000 0.831 240 A HN 0.666 nan 8.150 nan 0.000 0.462 241 P HA -0.158 nan 4.420 nan 0.000 0.216 241 P C 1.441 179.091 177.300 0.585 0.000 1.150 241 P CA 1.035 64.487 63.100 0.587 0.000 0.843 241 P CB -0.193 31.842 31.700 0.559 0.000 0.787 242 L N -1.104 120.342 121.223 0.372 0.000 2.083 242 L HA -0.213 4.127 4.340 -0.000 0.000 0.209 242 L C 2.538 179.474 176.870 0.110 0.000 1.083 242 L CA 1.605 56.517 54.840 0.121 0.000 0.752 242 L CB -0.850 41.259 42.059 0.083 0.000 0.899 242 L HN 0.056 nan 8.230 nan 0.000 0.433 243 Q N -1.338 118.567 119.800 0.174 0.000 2.137 243 Q HA -0.202 4.138 4.340 -0.000 0.000 0.198 243 Q C 2.056 178.168 176.000 0.187 0.000 0.960 243 Q CA 1.385 57.275 55.803 0.145 0.000 0.847 243 Q CB -0.237 28.590 28.738 0.149 0.000 0.915 243 Q HN 0.525 nan 8.270 nan 0.000 0.448 244 Y N 0.987 121.380 120.300 0.155 0.000 2.200 244 Y HA -0.188 4.362 4.550 -0.000 0.000 0.290 244 Y C 1.828 177.866 175.900 0.231 0.000 1.137 244 Y CA 1.030 59.245 58.100 0.193 0.000 1.163 244 Y CB -0.259 38.346 38.460 0.241 0.000 0.988 244 Y HN 0.058 nan 8.280 nan 0.000 0.518 245 L N 0.849 121.992 121.223 -0.133 0.000 2.217 245 L HA 0.081 4.421 4.340 -0.000 0.000 0.211 245 L C 2.576 179.397 176.870 -0.082 0.000 1.107 245 L CA 1.541 56.234 54.840 -0.245 0.000 0.783 245 L CB -1.187 40.768 42.059 -0.174 0.000 0.919 245 L HN 0.368 nan 8.230 nan 0.000 0.442 246 A N 0.566 123.351 122.820 -0.058 0.000 1.894 246 A HA -0.258 4.061 4.320 -0.000 0.000 0.220 246 A C 0.056 177.601 177.584 -0.065 0.000 1.237 246 A CA 2.591 54.598 52.037 -0.050 0.000 0.660 246 A CB -2.201 16.788 19.000 -0.019 0.000 0.835 246 A HN 0.387 nan 8.150 nan 0.000 0.461 247 P HA -0.177 nan 4.420 nan 0.000 0.214 247 P C 0.982 178.144 177.300 -0.230 0.000 1.163 247 P CA 1.623 64.575 63.100 -0.247 0.000 0.889 247 P CB -0.281 30.944 31.700 -0.791 0.000 0.790 248 Y N -0.839 119.370 120.300 -0.150 0.000 2.403 248 Y HA -0.103 4.446 4.550 -0.000 0.000 0.291 248 Y C 2.521 178.381 175.900 -0.066 0.000 1.143 248 Y CA 1.041 59.066 58.100 -0.124 0.000 1.257 248 Y CB -1.272 37.056 38.460 -0.220 0.000 0.984 248 Y HN -0.062 nan 8.280 nan 0.000 0.550 249 S N -0.105 115.625 115.700 0.050 0.000 2.345 249 S HA -0.129 4.341 4.470 -0.000 0.000 0.220 249 S C 2.440 177.052 174.600 0.021 0.000 1.031 249 S CA 1.215 59.421 58.200 0.010 0.000 0.996 249 S CB -0.944 62.235 63.200 -0.035 0.000 0.882 249 S HN 0.641 nan 8.310 nan 0.000 0.445 250 G N 0.068 108.886 108.800 0.031 0.000 2.422 250 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.218 250 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.218 250 G C 1.706 176.636 174.900 0.051 0.000 1.140 250 G CA 1.011 46.129 45.100 0.030 0.000 0.775 250 G HN 0.582 nan 8.290 nan 0.000 0.545 251 C N 0.580 119.943 119.300 0.104 0.000 2.442 251 C HA -0.037 4.423 4.460 -0.000 0.000 0.279 251 C C 3.211 178.254 174.990 0.087 0.000 1.237 251 C CA 1.796 60.888 59.018 0.124 0.000 1.722 251 C CB -0.952 26.885 27.740 0.162 0.000 2.056 251 C HN 0.367 nan 8.230 nan 0.000 0.469 252 S N 0.711 116.454 115.700 0.071 0.000 2.392 252 S HA -0.256 4.214 4.470 -0.000 0.000 0.232 252 S C 1.744 176.358 174.600 0.023 0.000 1.041 252 S CA 2.336 60.564 58.200 0.046 0.000 1.026 252 S CB -0.448 62.769 63.200 0.028 0.000 0.845 252 S HN 0.684 nan 8.310 nan 0.000 0.465 253 M N 0.633 120.241 119.600 0.012 0.000 2.175 253 M HA -0.024 4.456 4.480 -0.000 0.000 0.264 253 M C 2.508 178.827 176.300 0.031 0.000 1.063 253 M CA 1.387 56.667 55.300 -0.033 0.000 1.119 253 M CB -0.775 31.826 32.600 0.002 0.000 1.377 253 M HN 0.452 nan 8.290 nan 0.000 0.415 254 G N 0.305 109.190 108.800 0.142 0.000 2.422 254 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.218 254 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.218 254 G C 1.333 176.368 174.900 0.224 0.000 1.140 254 G CA 0.552 45.815 45.100 0.271 0.000 0.775 254 G HN 0.495 nan 8.290 nan 0.000 0.545 255 E N -0.453 119.819 120.200 0.119 0.000 2.077 255 E HA -0.184 4.166 4.350 -0.000 0.000 0.193 255 E C 2.041 178.672 176.600 0.052 0.000 0.989 255 E CA 0.974 57.427 56.400 0.087 0.000 0.800 255 E CB -0.343 29.396 29.700 0.066 0.000 0.746 255 E HN 0.565 nan 8.360 nan 0.000 0.452 256 Y N 0.919 121.129 120.300 -0.150 0.000 2.139 256 Y HA -0.321 4.229 4.550 -0.000 0.000 0.282 256 Y C 1.818 177.586 175.900 -0.221 0.000 1.179 256 Y CA 1.808 59.758 58.100 -0.250 0.000 1.161 256 Y CB -0.427 37.769 38.460 -0.440 0.000 0.970 256 Y HN -0.037 nan 8.280 nan 0.000 0.511 257 F N -0.117 119.865 119.950 0.053 0.000 2.113 257 F HA -0.110 4.417 4.527 -0.000 0.000 0.297 257 F C 2.676 178.407 175.800 -0.115 0.000 1.103 257 F CA 1.417 59.372 58.000 -0.075 0.000 1.248 257 F CB -0.543 38.471 39.000 0.023 0.000 0.999 257 F HN -0.144 nan 8.300 nan 0.000 0.475 258 R N 0.634 121.225 120.500 0.150 0.000 2.341 258 R HA -0.141 4.199 4.340 -0.000 0.000 0.213 258 R C -0.031 176.275 176.300 0.011 0.000 1.082 258 R CA 1.217 57.361 56.100 0.074 0.000 1.017 258 R CB -0.368 29.988 30.300 0.093 0.000 0.860 258 R HN 0.234 nan 8.270 nan 0.000 0.473 259 D N -0.431 119.937 120.400 -0.054 0.000 2.538 259 D HA 0.121 4.761 4.640 -0.000 0.000 0.231 259 D C -0.460 175.753 176.300 -0.144 0.000 1.229 259 D CA 0.016 53.977 54.000 -0.066 0.000 0.828 259 D CB 0.513 41.277 40.800 -0.059 0.000 1.035 259 D HN 0.099 nan 8.370 nan 0.000 0.495 260 N N 0.064 118.662 118.700 -0.170 0.000 2.595 260 N HA 0.148 4.888 4.740 -0.000 0.000 0.291 260 N C 0.546 175.979 175.510 -0.129 0.000 1.706 260 N CA -0.163 52.774 53.050 -0.188 0.000 0.867 260 N CB 1.468 39.754 38.487 -0.335 0.000 1.414 260 N HN 0.059 nan 8.380 nan 0.000 0.492 261 G N 1.494 110.227 108.800 -0.112 0.000 2.356 261 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.296 261 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.296 261 G C -0.051 174.729 174.900 -0.199 0.000 1.022 261 G CA 0.848 45.867 45.100 -0.134 0.000 0.961 261 G HN 0.345 nan 8.290 nan 0.000 0.510 262 K N -1.264 118.988 120.400 -0.246 0.000 2.480 262 K HA 0.584 4.904 4.320 -0.000 0.000 0.258 262 K C -0.869 175.526 176.600 -0.342 0.000 0.990 262 K CA -1.006 55.150 56.287 -0.219 0.000 0.857 262 K CB 1.544 34.036 32.500 -0.013 0.000 1.384 262 K HN 0.360 nan 8.250 nan 0.000 0.446 263 H N -0.286 118.861 119.070 0.128 0.000 2.505 263 H HA 0.522 5.078 4.556 -0.000 0.000 0.338 263 H C -1.068 174.314 175.328 0.089 0.000 1.057 263 H CA -0.721 55.381 56.048 0.091 0.000 1.202 263 H CB 1.932 31.715 29.762 0.036 0.000 1.466 263 H HN 0.603 nan 8.280 nan 0.000 0.499 264 A N 3.015 125.956 122.820 0.201 0.000 2.342 264 A HA 0.538 4.858 4.320 -0.000 0.000 0.323 264 A C -1.336 176.314 177.584 0.109 0.000 1.125 264 A CA -0.671 51.449 52.037 0.138 0.000 0.785 264 A CB 0.878 20.031 19.000 0.255 0.000 1.221 264 A HN 0.542 nan 8.150 nan 0.000 0.463 265 L N 3.459 124.725 121.223 0.072 0.000 2.280 265 L HA 0.677 5.017 4.340 -0.000 0.000 0.287 265 L C -0.734 176.133 176.870 -0.005 0.000 1.023 265 L CA -0.354 54.505 54.840 0.033 0.000 0.819 265 L CB 0.728 42.810 42.059 0.037 0.000 1.212 265 L HN 0.669 nan 8.230 nan 0.000 0.420 266 I N 5.062 125.579 120.570 -0.088 0.000 2.460 266 I HA 0.510 4.680 4.170 -0.000 0.000 0.298 266 I C -1.137 174.768 176.117 -0.354 0.000 0.989 266 I CA -0.707 60.450 61.300 -0.239 0.000 1.173 266 I CB 1.498 39.275 38.000 -0.372 0.000 1.338 266 I HN 0.595 nan 8.210 nan 0.000 0.456 267 I N 7.468 127.790 120.570 -0.413 0.000 2.439 267 I HA 0.208 4.378 4.170 -0.000 0.000 0.283 267 I C -1.083 174.716 176.117 -0.531 0.000 1.023 267 I CA -0.030 61.032 61.300 -0.395 0.000 1.100 267 I CB 1.237 39.086 38.000 -0.251 0.000 1.238 267 I HN 0.340 nan 8.210 nan 0.000 0.445 268 Y N 4.075 124.230 120.300 -0.243 0.000 2.724 268 Y HA 0.170 4.720 4.550 -0.000 0.000 0.332 268 Y C 0.749 176.485 175.900 -0.274 0.000 1.276 268 Y CA -0.608 57.327 58.100 -0.274 0.000 1.597 268 Y CB 0.117 38.416 38.460 -0.268 0.000 1.584 268 Y HN 0.460 nan 8.280 nan 0.000 0.478 269 D N 4.494 124.734 120.400 -0.268 0.000 2.422 269 D HA -0.084 4.556 4.640 -0.000 0.000 0.263 269 D C -0.322 175.931 176.300 -0.078 0.000 1.334 269 D CA 1.103 54.985 54.000 -0.197 0.000 1.105 269 D CB -0.240 40.390 40.800 -0.284 0.000 1.107 269 D HN 0.636 nan 8.370 nan 0.000 0.522 270 D N 2.845 123.215 120.400 -0.049 0.000 3.862 270 D HA -0.156 4.484 4.640 -0.000 0.000 0.224 270 D C 0.896 177.168 176.300 -0.047 0.000 1.152 270 D CA -0.027 53.956 54.000 -0.028 0.000 0.894 270 D CB -0.607 40.197 40.800 0.007 0.000 0.624 270 D HN 0.389 nan 8.370 nan 0.000 0.287 271 L N 1.291 122.447 121.223 -0.111 0.000 2.395 271 L HA -0.044 4.296 4.340 -0.000 0.000 0.218 271 L C 2.509 179.388 176.870 0.016 0.000 1.130 271 L CA 0.448 55.167 54.840 -0.201 0.000 0.826 271 L CB -0.249 41.438 42.059 -0.620 0.000 0.941 271 L HN 0.187 nan 8.230 nan 0.000 0.451 272 S N 0.268 115.990 115.700 0.035 0.000 2.343 272 S HA -0.161 4.309 4.470 -0.000 0.000 0.219 272 S C 1.966 176.650 174.600 0.140 0.000 1.033 272 S CA 1.323 59.581 58.200 0.097 0.000 1.014 272 S CB 0.018 63.265 63.200 0.079 0.000 0.915 272 S HN 0.348 nan 8.310 nan 0.000 0.435 273 K N 0.904 121.367 120.400 0.105 0.000 2.103 273 K HA -0.151 4.169 4.320 -0.000 0.000 0.207 273 K C 2.427 179.118 176.600 0.152 0.000 1.048 273 K CA 1.062 57.420 56.287 0.119 0.000 0.930 273 K CB -0.228 32.323 32.500 0.085 0.000 0.716 273 K HN 0.371 nan 8.250 nan 0.000 0.444 274 Q N 0.674 120.556 119.800 0.137 0.000 2.096 274 Q HA -0.171 4.169 4.340 -0.000 0.000 0.204 274 Q C 2.061 178.233 176.000 0.287 0.000 0.982 274 Q CA 1.674 57.585 55.803 0.181 0.000 0.850 274 Q CB -0.085 28.709 28.738 0.094 0.000 0.901 274 Q HN 0.332 nan 8.270 nan 0.000 0.422 275 A N -0.013 122.984 122.820 0.295 0.000 1.933 275 A HA -0.129 4.191 4.320 -0.000 0.000 0.218 275 A C 2.268 180.125 177.584 0.456 0.000 1.175 275 A CA 1.477 53.705 52.037 0.319 0.000 0.628 275 A CB -0.701 18.357 19.000 0.097 0.000 0.814 275 A HN 0.283 nan 8.150 nan 0.000 0.444 276 V N -0.111 120.024 119.914 0.369 0.000 2.233 276 V HA -0.291 3.829 4.120 -0.000 0.000 0.247 276 V C 3.096 179.295 176.094 0.175 0.000 1.050 276 V CA 2.151 64.605 62.300 0.257 0.000 1.010 276 V CB -1.318 30.611 31.823 0.176 0.000 0.637 276 V HN 0.625 nan 8.190 nan 0.000 0.444 277 A N -0.953 121.984 122.820 0.195 0.000 1.908 277 A HA -0.299 4.021 4.320 -0.000 0.000 0.218 277 A C 2.198 179.898 177.584 0.192 0.000 1.181 277 A CA 2.278 54.422 52.037 0.178 0.000 0.627 277 A CB -0.866 18.265 19.000 0.217 0.000 0.818 277 A HN 0.660 nan 8.150 nan 0.000 0.445 278 Y N 0.688 121.062 120.300 0.122 0.000 2.165 278 Y HA -0.232 4.317 4.550 -0.000 0.000 0.286 278 Y C 2.462 178.365 175.900 0.005 0.000 1.155 278 Y CA 2.029 60.146 58.100 0.029 0.000 1.164 278 Y CB -0.558 37.964 38.460 0.103 0.000 0.978 278 Y HN 0.379 nan 8.280 nan 0.000 0.513 279 R N 0.285 120.742 120.500 -0.071 0.000 2.073 279 R HA -0.238 4.102 4.340 -0.000 0.000 0.234 279 R C 2.474 178.656 176.300 -0.196 0.000 1.134 279 R CA 1.891 57.859 56.100 -0.219 0.000 0.952 279 R CB -0.523 29.649 30.300 -0.214 0.000 0.850 279 R HN 0.583 nan 8.270 nan 0.000 0.433 280 Q N 0.347 120.086 119.800 -0.101 0.000 2.096 280 Q HA -0.254 4.086 4.340 -0.000 0.000 0.204 280 Q C 2.160 178.106 176.000 -0.090 0.000 0.982 280 Q CA 2.159 57.916 55.803 -0.078 0.000 0.850 280 Q CB -0.126 28.598 28.738 -0.023 0.000 0.901 280 Q HN 0.476 nan 8.270 nan 0.000 0.422 281 M N -0.426 119.116 119.600 -0.097 0.000 2.099 281 M HA -0.171 4.309 4.480 -0.000 0.000 0.262 281 M C 2.323 178.533 176.300 -0.151 0.000 1.067 281 M CA 1.949 57.184 55.300 -0.108 0.000 1.124 281 M CB -0.174 32.358 32.600 -0.114 0.000 1.353 281 M HN 0.240 nan 8.290 nan 0.000 0.410 282 S N 0.480 116.032 115.700 -0.247 0.000 2.368 282 S HA -0.129 4.341 4.470 -0.000 0.000 0.225 282 S C 1.824 176.328 174.600 -0.160 0.000 1.030 282 S CA 1.260 59.310 58.200 -0.250 0.000 0.999 282 S CB -0.508 62.427 63.200 -0.443 0.000 0.844 282 S HN 0.591 nan 8.310 nan 0.000 0.459 283 L N 0.495 121.626 121.223 -0.152 0.000 2.083 283 L HA -0.030 4.310 4.340 -0.000 0.000 0.209 283 L C 1.923 178.746 176.870 -0.079 0.000 1.083 283 L CA 1.114 55.890 54.840 -0.107 0.000 0.752 283 L CB -0.418 41.578 42.059 -0.105 0.000 0.899 283 L HN 0.355 nan 8.230 nan 0.000 0.433 284 L N -0.727 120.450 121.223 -0.076 0.000 2.612 284 L HA -0.008 4.332 4.340 -0.000 0.000 0.230 284 L C 1.634 178.473 176.870 -0.051 0.000 1.140 284 L CA 0.075 54.881 54.840 -0.057 0.000 0.896 284 L CB 0.090 42.118 42.059 -0.051 0.000 1.065 284 L HN 0.232 nan 8.230 nan 0.000 0.447 285 L N -0.344 120.843 121.223 -0.060 0.000 2.667 285 L HA 0.215 4.555 4.340 -0.000 0.000 0.232 285 L C 0.479 177.325 176.870 -0.040 0.000 1.138 285 L CA -0.193 54.618 54.840 -0.048 0.000 0.921 285 L CB 0.183 42.208 42.059 -0.057 0.000 1.180 285 L HN 0.229 nan 8.230 nan 0.000 0.487 286 R N 0.268 120.742 120.500 -0.043 0.000 3.651 286 R HA -0.163 4.177 4.340 -0.000 0.000 0.292 286 R C -0.230 176.051 176.300 -0.033 0.000 1.161 286 R CA 0.580 56.659 56.100 -0.035 0.000 0.787 286 R CB -2.302 27.983 30.300 -0.024 0.000 1.249 286 R HN 0.396 nan 8.270 nan 0.000 0.476 287 R N 0.987 121.461 120.500 -0.043 0.000 2.349 287 R HA 0.337 4.677 4.340 -0.000 0.000 0.299 287 R C -1.976 174.303 176.300 -0.036 0.000 1.027 287 R CA -1.808 54.271 56.100 -0.034 0.000 0.958 287 R CB 0.651 30.928 30.300 -0.038 0.000 1.047 287 R HN -0.149 nan 8.270 nan 0.000 0.468 288 P HA -0.056 nan 4.420 nan 0.000 0.266 288 P C -2.213 175.074 177.300 -0.021 0.000 1.186 288 P CA -0.447 62.642 63.100 -0.019 0.000 0.767 288 P CB 0.152 31.848 31.700 -0.007 0.000 0.820 289 P HA 0.438 nan 4.420 nan 0.000 0.297 289 P C -0.324 176.980 177.300 0.008 0.000 1.307 289 P CA -0.215 62.870 63.100 -0.024 0.000 0.773 289 P CB 1.423 33.095 31.700 -0.046 0.000 1.265 290 G N -0.912 107.908 108.800 0.034 0.000 2.896 290 G HA2 0.330 4.290 3.960 -0.000 0.000 0.247 290 G HA3 0.330 4.290 3.960 -0.000 0.000 0.247 290 G C -0.908 174.021 174.900 0.048 0.000 1.187 290 G CA -0.902 44.231 45.100 0.056 0.000 0.837 290 G HN 0.476 nan 8.290 nan 0.000 0.559 291 R N 0.912 121.418 120.500 0.011 0.000 2.486 291 R HA 0.082 4.422 4.340 -0.000 0.000 0.304 291 R C 0.409 176.743 176.300 0.057 0.000 0.913 291 R CA 1.356 57.351 56.100 -0.174 0.000 1.124 291 R CB -0.374 29.432 30.300 -0.823 0.000 0.891 291 R HN 0.708 nan 8.270 nan 0.000 0.410 292 E N 2.370 122.583 120.200 0.022 0.000 3.253 292 E HA -0.376 3.974 4.350 -0.000 0.000 0.284 292 E C 0.378 176.955 176.600 -0.038 0.000 0.958 292 E CA 0.621 57.071 56.400 0.085 0.000 0.917 292 E CB -0.940 28.945 29.700 0.309 0.000 1.466 292 E HN 0.905 nan 8.360 nan 0.000 0.455 293 A N -2.688 120.119 122.820 -0.022 0.000 3.410 293 A HA -0.278 4.042 4.320 -0.000 0.000 0.253 293 A C 0.235 177.747 177.584 -0.120 0.000 1.178 293 A CA 1.391 53.368 52.037 -0.099 0.000 1.334 293 A CB -1.982 16.916 19.000 -0.170 0.000 1.097 293 A HN 0.372 nan 8.150 nan 0.000 0.921 294 Y N 0.046 120.406 120.300 0.101 0.000 2.279 294 Y HA 0.419 4.969 4.550 -0.000 0.000 0.350 294 Y C -1.247 174.663 175.900 0.017 0.000 1.288 294 Y CA -0.997 57.139 58.100 0.060 0.000 1.547 294 Y CB -0.167 38.377 38.460 0.139 0.000 1.381 294 Y HN 0.171 nan 8.280 nan 0.000 0.630 295 P HA 0.048 nan 4.420 nan 0.000 0.274 295 P C 0.510 177.908 177.300 0.162 0.000 1.260 295 P CA 0.301 63.413 63.100 0.019 0.000 0.793 295 P CB 0.560 32.148 31.700 -0.187 0.000 1.048 296 G N 0.580 109.462 108.800 0.137 0.000 2.408 296 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.217 296 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.217 296 G C 0.505 175.531 174.900 0.209 0.000 1.150 296 G CA 0.569 45.766 45.100 0.161 0.000 0.776 296 G HN 0.643 nan 8.290 nan 0.000 0.542 297 D N 1.153 121.704 120.400 0.251 0.000 2.889 297 D HA 0.131 4.771 4.640 -0.000 0.000 0.243 297 D C 1.607 178.089 176.300 0.304 0.000 1.270 297 D CA -0.342 53.842 54.000 0.306 0.000 0.838 297 D CB 0.376 41.390 40.800 0.356 0.000 1.040 297 D HN 0.184 nan 8.370 nan 0.000 0.480 298 V N -0.215 119.841 119.914 0.237 0.000 2.515 298 V HA -0.180 3.940 4.120 -0.000 0.000 0.250 298 V C 2.051 178.052 176.094 -0.156 0.000 1.058 298 V CA 1.000 63.336 62.300 0.059 0.000 1.064 298 V CB -1.025 30.721 31.823 -0.128 0.000 0.675 298 V HN 0.246 nan 8.190 nan 0.000 0.461 299 F N 0.662 120.547 119.950 -0.109 0.000 2.075 299 F HA -0.235 4.292 4.527 -0.000 0.000 0.297 299 F C 2.345 178.158 175.800 0.022 0.000 1.113 299 F CA 1.919 59.870 58.000 -0.081 0.000 1.218 299 F CB -0.608 38.391 39.000 -0.003 0.000 0.984 299 F HN 0.233 nan 8.300 nan 0.000 0.472 300 Y N 0.732 121.000 120.300 -0.052 0.000 2.403 300 Y HA -0.165 4.385 4.550 -0.000 0.000 0.291 300 Y C 2.032 177.832 175.900 -0.167 0.000 1.143 300 Y CA 1.273 59.316 58.100 -0.095 0.000 1.257 300 Y CB -0.880 37.612 38.460 0.054 0.000 0.984 300 Y HN 0.252 nan 8.280 nan 0.000 0.550 301 L N -0.218 120.837 121.223 -0.281 0.000 2.012 301 L HA -0.236 4.103 4.340 -0.000 0.000 0.210 301 L C 2.110 178.856 176.870 -0.206 0.000 1.073 301 L CA 2.355 56.971 54.840 -0.373 0.000 0.748 301 L CB -0.881 40.897 42.059 -0.468 0.000 0.891 301 L HN 0.371 nan 8.230 nan 0.000 0.431 302 H N -1.859 117.009 119.070 -0.337 0.000 2.451 302 H HA 0.032 4.588 4.556 -0.000 0.000 0.294 302 H C 2.319 177.421 175.328 -0.377 0.000 1.028 302 H CA 0.701 56.526 56.048 -0.372 0.000 1.349 302 H CB 0.089 29.637 29.762 -0.356 0.000 1.444 302 H HN 0.503 nan 8.280 nan 0.000 0.538 303 S N 1.366 116.835 115.700 -0.384 0.000 2.399 303 S HA -0.224 4.246 4.470 -0.000 0.000 0.231 303 S C 2.055 176.594 174.600 -0.101 0.000 1.022 303 S CA 1.254 59.264 58.200 -0.317 0.000 0.983 303 S CB -0.189 62.701 63.200 -0.517 0.000 0.803 303 S HN 0.364 nan 8.310 nan 0.000 0.480 304 R N 0.555 120.994 120.500 -0.103 0.000 2.092 304 R HA 0.091 4.431 4.340 -0.000 0.000 0.231 304 R C 2.328 178.619 176.300 -0.014 0.000 1.119 304 R CA 1.233 57.300 56.100 -0.056 0.000 0.970 304 R CB -0.373 29.685 30.300 -0.405 0.000 0.864 304 R HN 0.493 nan 8.270 nan 0.000 0.440 305 L N 0.326 121.513 121.223 -0.058 0.000 2.162 305 L HA 0.072 4.412 4.340 -0.000 0.000 0.205 305 L C 1.813 178.613 176.870 -0.117 0.000 1.086 305 L CA 1.299 56.053 54.840 -0.144 0.000 0.778 305 L CB -0.033 41.689 42.059 -0.561 0.000 0.928 305 L HN 0.199 nan 8.230 nan 0.000 0.446 306 L N -0.659 120.493 121.223 -0.118 0.000 2.313 306 L HA -0.050 4.290 4.340 -0.000 0.000 0.214 306 L C 2.406 179.281 176.870 0.008 0.000 1.119 306 L CA 0.566 55.384 54.840 -0.037 0.000 0.809 306 L CB -0.528 41.492 42.059 -0.064 0.000 0.933 306 L HN 0.314 nan 8.230 nan 0.000 0.449 307 E N 0.465 120.668 120.200 0.005 0.000 2.204 307 E HA -0.169 4.181 4.350 -0.000 0.000 0.194 307 E C 2.135 178.752 176.600 0.029 0.000 0.989 307 E CA 0.692 57.105 56.400 0.023 0.000 0.824 307 E CB 0.014 29.734 29.700 0.033 0.000 0.756 307 E HN 0.483 nan 8.360 nan 0.000 0.477 308 R N 0.801 121.324 120.500 0.038 0.000 2.241 308 R HA -0.011 4.329 4.340 -0.000 0.000 0.224 308 R C 1.002 177.333 176.300 0.052 0.000 1.101 308 R CA 0.473 56.602 56.100 0.047 0.000 0.995 308 R CB -0.166 30.173 30.300 0.065 0.000 0.870 308 R HN -0.044 nan 8.270 nan 0.000 0.463 309 A N 1.104 123.957 122.820 0.056 0.000 2.440 309 A HA 0.587 4.907 4.320 -0.000 0.000 0.251 309 A C -0.078 177.528 177.584 0.036 0.000 1.089 309 A CA 0.243 52.312 52.037 0.054 0.000 0.779 309 A CB 0.488 19.522 19.000 0.055 0.000 1.022 309 A HN 0.322 nan 8.150 nan 0.000 0.492 310 A N 1.710 124.552 122.820 0.037 0.000 2.549 310 A HA 0.611 4.931 4.320 -0.000 0.000 0.291 310 A C -1.026 176.579 177.584 0.035 0.000 1.034 310 A CA -0.688 51.362 52.037 0.023 0.000 0.655 310 A CB 0.670 19.671 19.000 0.001 0.000 1.299 310 A HN 0.964 nan 8.150 nan 0.000 0.427 311 K N 1.771 122.185 120.400 0.023 0.000 2.334 311 K HA 0.587 4.907 4.320 -0.000 0.000 0.265 311 K C -0.418 176.194 176.600 0.020 0.000 1.039 311 K CA -0.383 55.928 56.287 0.040 0.000 0.920 311 K CB 0.227 32.744 32.500 0.029 0.000 1.160 311 K HN 0.616 nan 8.250 nan 0.000 0.451 312 M N 2.855 122.476 119.600 0.036 0.000 2.242 312 M HA 0.158 4.638 4.480 -0.000 0.000 0.344 312 M C 0.392 176.728 176.300 0.060 0.000 1.140 312 M CA -0.454 54.856 55.300 0.017 0.000 1.160 312 M CB 0.163 32.799 32.600 0.059 0.000 1.491 312 M HN 0.696 nan 8.290 nan 0.000 0.459 313 N N 0.909 119.653 118.700 0.073 0.000 2.408 313 N HA 0.113 4.853 4.740 -0.000 0.000 0.260 313 N C 0.128 175.727 175.510 0.148 0.000 1.242 313 N CA -0.371 52.744 53.050 0.108 0.000 0.959 313 N CB 0.453 39.008 38.487 0.112 0.000 1.201 313 N HN 0.432 nan 8.380 nan 0.000 0.511 314 D N -0.508 119.954 120.400 0.104 0.000 2.221 314 D HA -0.158 4.482 4.640 -0.000 0.000 0.204 314 D C 1.477 177.820 176.300 0.071 0.000 0.982 314 D CA 1.553 55.599 54.000 0.076 0.000 0.857 314 D CB -0.362 40.467 40.800 0.049 0.000 0.934 314 D HN 0.722 nan 8.370 nan 0.000 0.475 315 A N -0.106 122.779 122.820 0.108 0.000 2.067 315 A HA -0.085 4.235 4.320 -0.000 0.000 0.219 315 A C 1.341 178.866 177.584 -0.098 0.000 1.158 315 A CA 0.656 52.707 52.037 0.023 0.000 0.661 315 A CB -0.403 18.635 19.000 0.064 0.000 0.801 315 A HN 0.120 nan 8.150 nan 0.000 0.452 316 F N -1.207 118.737 119.950 -0.010 0.000 2.647 316 F HA 0.417 4.944 4.527 -0.000 0.000 0.300 316 F C 1.671 177.454 175.800 -0.029 0.000 1.106 316 F CA 0.441 58.431 58.000 -0.017 0.000 1.313 316 F CB 0.637 39.632 39.000 -0.009 0.000 1.007 316 F HN 0.326 nan 8.300 nan 0.000 0.536 317 G N -0.439 108.410 108.800 0.082 0.000 2.254 317 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.225 317 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.225 317 G C 1.248 176.166 174.900 0.030 0.000 1.003 317 G CA -0.137 44.978 45.100 0.025 0.000 0.622 317 G HN 1.048 nan 8.290 nan 0.000 0.507 318 G N -0.144 108.703 108.800 0.078 0.000 2.179 318 G HA2 0.192 4.152 3.960 -0.000 0.000 0.257 318 G HA3 0.192 4.152 3.960 -0.000 0.000 0.257 318 G C 1.403 176.347 174.900 0.074 0.000 1.010 318 G CA 1.149 46.297 45.100 0.080 0.000 0.736 318 G HN 2.055 nan 8.290 nan 0.000 0.513 319 G N -0.808 107.998 108.800 0.010 0.000 2.510 319 G HA2 0.904 4.864 3.960 -0.000 0.000 0.280 319 G HA3 0.904 4.864 3.960 -0.000 0.000 0.280 319 G C 0.291 175.263 174.900 0.121 0.000 1.386 319 G CA 0.736 45.780 45.100 -0.093 0.000 1.047 319 G HN 1.876 nan 8.290 nan 0.000 0.527 320 S N -2.416 113.397 115.700 0.190 0.000 2.636 320 S HA 0.623 5.093 4.470 -0.000 0.000 0.268 320 S C -1.822 172.883 174.600 0.174 0.000 1.159 320 S CA -0.712 57.617 58.200 0.215 0.000 0.815 320 S CB 1.791 65.156 63.200 0.275 0.000 1.130 320 S HN 1.432 nan 8.310 nan 0.000 0.471 321 L N 1.217 122.514 121.223 0.123 0.000 2.596 321 L HA 0.663 5.003 4.340 -0.000 0.000 0.265 321 L C -1.076 175.832 176.870 0.062 0.000 0.962 321 L CA 0.252 55.154 54.840 0.102 0.000 0.891 321 L CB 1.680 43.798 42.059 0.099 0.000 1.248 321 L HN 0.953 nan 8.230 nan 0.000 0.410 322 T N 3.479 118.059 114.554 0.043 0.000 2.829 322 T HA 0.897 5.247 4.350 -0.000 0.000 0.282 322 T C -0.132 174.560 174.700 -0.014 0.000 0.990 322 T CA -0.181 61.929 62.100 0.017 0.000 1.028 322 T CB 1.614 70.487 68.868 0.009 0.000 0.951 322 T HN 0.805 nan 8.240 nan 0.000 0.460 323 A N 2.535 125.348 122.820 -0.011 0.000 2.355 323 A HA 0.795 5.115 4.320 -0.000 0.000 0.324 323 A C -0.335 177.233 177.584 -0.028 0.000 1.117 323 A CA -0.822 51.187 52.037 -0.048 0.000 0.785 323 A CB 0.774 19.799 19.000 0.041 0.000 1.254 323 A HN 0.882 nan 8.150 nan 0.000 0.453 324 L N 2.971 124.156 121.223 -0.064 0.000 2.839 324 L HA 0.269 4.609 4.340 -0.000 0.000 0.259 324 L C -2.308 174.549 176.870 -0.021 0.000 1.369 324 L CA -1.494 53.328 54.840 -0.029 0.000 0.845 324 L CB 0.960 43.002 42.059 -0.029 0.000 1.181 324 L HN 0.493 nan 8.230 nan 0.000 0.529 325 P HA -0.009 nan 4.420 nan 0.000 0.265 325 P C -0.307 176.986 177.300 -0.013 0.000 1.193 325 P CA 0.235 63.363 63.100 0.047 0.000 0.765 325 P CB 1.531 33.242 31.700 0.019 0.000 0.823 326 V N 5.255 125.154 119.914 -0.025 0.000 2.370 326 V HA 0.300 4.420 4.120 -0.000 0.000 0.279 326 V C 0.649 176.730 176.094 -0.022 0.000 1.029 326 V CA -0.556 61.736 62.300 -0.014 0.000 0.870 326 V CB 1.103 32.922 31.823 -0.007 0.000 0.984 326 V HN 0.421 nan 8.190 nan 0.000 0.451 327 I N 4.020 124.588 120.570 -0.004 0.000 2.404 327 I HA 0.451 4.621 4.170 -0.000 0.000 0.293 327 I C 0.194 176.331 176.117 0.033 0.000 0.992 327 I CA -0.283 61.017 61.300 0.001 0.000 1.149 327 I CB 1.962 39.958 38.000 -0.005 0.000 1.315 327 I HN 0.772 nan 8.210 nan 0.000 0.446 328 E N 5.083 125.306 120.200 0.039 0.000 2.191 328 E HA 0.473 4.823 4.350 -0.000 0.000 0.278 328 E C -0.895 175.742 176.600 0.062 0.000 0.972 328 E CA -0.369 56.064 56.400 0.054 0.000 0.804 328 E CB 1.492 31.223 29.700 0.052 0.000 1.110 328 E HN 0.708 nan 8.360 nan 0.000 0.394 329 T N 1.359 115.956 114.554 0.073 0.000 2.942 329 T HA 0.417 4.766 4.350 -0.000 0.000 0.289 329 T C -0.361 174.385 174.700 0.077 0.000 1.044 329 T CA -1.049 61.095 62.100 0.073 0.000 1.023 329 T CB 1.709 70.620 68.868 0.072 0.000 1.123 329 T HN 0.409 nan 8.240 nan 0.000 0.512 330 Q N 0.518 120.362 119.800 0.074 0.000 2.312 330 Q HA 0.585 4.925 4.340 -0.000 0.000 0.263 330 Q C 0.386 176.427 176.000 0.069 0.000 0.995 330 Q CA -0.675 55.169 55.803 0.069 0.000 0.853 330 Q CB 1.800 30.578 28.738 0.068 0.000 1.300 330 Q HN 1.355 nan 8.270 nan 0.000 0.448 331 A N 1.812 124.673 122.820 0.068 0.000 2.799 331 A HA -0.169 4.151 4.320 -0.000 0.000 0.287 331 A C 0.975 178.608 177.584 0.082 0.000 1.484 331 A CA 1.019 53.097 52.037 0.068 0.000 0.813 331 A CB -2.276 16.758 19.000 0.056 0.000 1.009 331 A HN 1.676 nan 8.150 nan 0.000 0.545 332 G N -0.882 107.981 108.800 0.105 0.000 2.352 332 G HA2 -0.045 3.915 3.960 -0.000 0.000 0.283 332 G HA3 -0.045 3.915 3.960 -0.000 0.000 0.283 332 G C -0.225 174.725 174.900 0.082 0.000 0.946 332 G CA 0.924 46.109 45.100 0.142 0.000 1.317 332 G HN 1.506 nan 8.290 nan 0.000 0.478 333 D N 0.416 120.844 120.400 0.047 0.000 2.551 333 D HA 0.361 5.001 4.640 -0.000 0.000 0.294 333 D C 1.790 178.078 176.300 -0.020 0.000 1.201 333 D CA 0.048 54.057 54.000 0.016 0.000 0.941 333 D CB 0.393 41.214 40.800 0.036 0.000 0.995 333 D HN 0.463 nan 8.370 nan 0.000 0.502 334 V N -0.173 119.682 119.914 -0.099 0.000 2.982 334 V HA -0.094 4.026 4.120 -0.000 0.000 0.265 334 V C 1.225 177.280 176.094 -0.065 0.000 1.122 334 V CA 1.068 63.284 62.300 -0.140 0.000 1.143 334 V CB -0.684 30.962 31.823 -0.297 0.000 0.726 334 V HN 0.279 nan 8.190 nan 0.000 0.507 335 S N 1.143 116.822 115.700 -0.035 0.000 2.699 335 S HA 0.742 5.212 4.470 -0.000 0.000 0.251 335 S C 0.466 175.084 174.600 0.029 0.000 1.179 335 S CA 0.323 58.521 58.200 -0.004 0.000 1.200 335 S CB -0.226 62.970 63.200 -0.006 0.000 0.848 335 S HN 0.908 nan 8.310 nan 0.000 0.472 336 A N 0.290 123.139 122.820 0.048 0.000 2.386 336 A HA 0.707 5.027 4.320 -0.000 0.000 0.308 336 A C 0.378 178.056 177.584 0.156 0.000 1.128 336 A CA -0.663 51.430 52.037 0.093 0.000 0.789 336 A CB 0.431 19.486 19.000 0.092 0.000 1.325 336 A HN 0.197 nan 8.150 nan 0.000 0.437 337 Y N 0.988 121.301 120.300 0.021 0.000 1.621 337 Y HA -0.332 4.218 4.550 -0.000 0.000 0.145 337 Y C 2.001 177.888 175.900 -0.020 0.000 0.802 337 Y CA 2.564 60.668 58.100 0.006 0.000 0.706 337 Y CB -0.953 37.517 38.460 0.017 0.000 0.716 337 Y HN 0.592 nan 8.280 nan 0.000 0.677 338 I N 0.392 120.868 120.570 -0.157 0.000 2.093 338 I HA -0.359 3.811 4.170 -0.000 0.000 0.239 338 I C -0.509 175.574 176.117 -0.056 0.000 1.026 338 I CA 2.906 64.050 61.300 -0.260 0.000 1.295 338 I CB -2.284 35.560 38.000 -0.260 0.000 1.007 338 I HN 0.320 nan 8.210 nan 0.000 0.401 339 P HA -0.268 nan 4.420 nan 0.000 0.219 339 P C 1.787 179.097 177.300 0.018 0.000 1.158 339 P CA 2.892 65.998 63.100 0.011 0.000 0.895 339 P CB -0.422 31.287 31.700 0.015 0.000 0.792 340 T N -4.979 109.599 114.554 0.041 0.000 2.985 340 T HA -0.036 4.314 4.350 -0.000 0.000 0.266 340 T C 1.728 176.480 174.700 0.088 0.000 1.076 340 T CA 1.050 63.183 62.100 0.054 0.000 1.135 340 T CB -0.970 67.938 68.868 0.068 0.000 0.890 340 T HN -0.059 nan 8.240 nan 0.000 0.480 341 N N 1.447 120.197 118.700 0.082 0.000 2.043 341 N HA -0.057 4.683 4.740 -0.000 0.000 0.193 341 N C 1.891 177.507 175.510 0.177 0.000 1.037 341 N CA 1.555 54.704 53.050 0.165 0.000 0.851 341 N CB -0.740 37.750 38.487 0.004 0.000 1.027 341 N HN 0.349 nan 8.380 nan 0.000 0.422 342 V N 1.165 121.130 119.914 0.086 0.000 2.270 342 V HA -0.140 3.980 4.120 -0.000 0.000 0.245 342 V C 2.203 178.327 176.094 0.050 0.000 1.043 342 V CA 1.178 63.507 62.300 0.048 0.000 1.014 342 V CB -0.592 31.230 31.823 -0.001 0.000 0.645 342 V HN 0.252 nan 8.190 nan 0.000 0.447 343 I N 1.749 122.344 120.570 0.041 0.000 2.143 343 I HA -0.296 3.874 4.170 -0.000 0.000 0.245 343 I C 2.327 178.479 176.117 0.058 0.000 1.068 343 I CA 2.213 63.532 61.300 0.033 0.000 1.326 343 I CB -0.584 37.423 38.000 0.012 0.000 1.028 343 I HN 0.512 nan 8.210 nan 0.000 0.412 344 S N -0.294 115.463 115.700 0.095 0.000 2.803 344 S HA 0.138 4.608 4.470 -0.000 0.000 0.226 344 S C 1.232 175.932 174.600 0.166 0.000 0.962 344 S CA 0.255 58.524 58.200 0.115 0.000 0.968 344 S CB -0.445 62.824 63.200 0.115 0.000 0.786 344 S HN 0.459 nan 8.310 nan 0.000 0.527 345 I N 0.580 121.228 120.570 0.130 0.000 3.650 345 I HA 0.060 4.230 4.170 -0.000 0.000 0.261 345 I C 0.968 177.119 176.117 0.056 0.000 1.154 345 I CA 0.372 61.737 61.300 0.108 0.000 1.418 345 I CB -0.207 37.814 38.000 0.036 0.000 1.539 345 I HN 0.336 nan 8.210 nan 0.000 0.449 346 T N -0.524 114.049 114.554 0.033 0.000 2.856 346 T HA 0.041 4.391 4.350 -0.000 0.000 0.306 346 T C 0.057 174.774 174.700 0.028 0.000 1.062 346 T CA -0.348 61.766 62.100 0.023 0.000 1.083 346 T CB 0.475 69.352 68.868 0.014 0.000 0.984 346 T HN 0.049 nan 8.240 nan 0.000 0.542 347 D N 1.653 122.067 120.400 0.024 0.000 3.085 347 D HA 0.433 5.073 4.640 -0.000 0.000 0.243 347 D C 1.157 177.470 176.300 0.022 0.000 1.232 347 D CA 0.543 54.556 54.000 0.023 0.000 0.913 347 D CB -0.632 40.179 40.800 0.019 0.000 1.108 347 D HN 0.998 nan 8.370 nan 0.000 0.468 348 G N 0.770 109.584 108.800 0.024 0.000 2.318 348 G HA2 0.138 4.098 3.960 -0.000 0.000 0.367 348 G HA3 0.138 4.098 3.960 -0.000 0.000 0.367 348 G C -1.680 173.236 174.900 0.028 0.000 1.260 348 G CA -0.757 44.358 45.100 0.026 0.000 1.055 348 G HN 0.361 nan 8.290 nan 0.000 0.484 349 Q N -0.922 118.900 119.800 0.037 0.000 2.776 349 Q HA 0.421 4.761 4.340 -0.000 0.000 0.248 349 Q C -1.993 174.053 176.000 0.076 0.000 0.990 349 Q CA -0.752 55.079 55.803 0.047 0.000 0.953 349 Q CB 0.446 29.205 28.738 0.035 0.000 1.801 349 Q HN 1.116 nan 8.270 nan 0.000 0.448 350 I N 2.963 123.587 120.570 0.089 0.000 2.321 350 I HA 0.397 4.567 4.170 -0.000 0.000 0.291 350 I C -0.762 175.474 176.117 0.198 0.000 0.998 350 I CA -0.798 60.571 61.300 0.115 0.000 1.227 350 I CB 0.818 38.865 38.000 0.078 0.000 1.368 350 I HN 0.543 nan 8.210 nan 0.000 0.466 351 F N 8.409 128.373 119.950 0.023 0.000 2.427 351 F HA 0.583 5.110 4.527 -0.000 0.000 0.346 351 F C -1.039 174.779 175.800 0.030 0.000 1.120 351 F CA -1.008 57.007 58.000 0.025 0.000 1.033 351 F CB 0.773 39.789 39.000 0.027 0.000 1.126 351 F HN 0.175 nan 8.300 nan 0.000 0.462 352 L N 5.644 126.777 121.223 -0.150 0.000 2.331 352 L HA 0.581 4.921 4.340 -0.000 0.000 0.275 352 L C -0.712 175.727 176.870 -0.717 0.000 1.022 352 L CA -0.759 53.873 54.840 -0.346 0.000 0.812 352 L CB 1.947 43.947 42.059 -0.099 0.000 1.257 352 L HN 0.556 nan 8.230 nan 0.000 0.435 353 E N -0.369 119.504 120.200 -0.544 0.000 2.340 353 E HA 0.252 4.602 4.350 -0.000 0.000 0.273 353 E C -0.043 176.474 176.600 -0.138 0.000 0.891 353 E CA -0.530 55.617 56.400 -0.421 0.000 0.757 353 E CB 2.062 31.474 29.700 -0.479 0.000 1.231 353 E HN 0.671 nan 8.360 nan 0.000 0.439 354 T N -1.333 113.190 114.554 -0.053 0.000 2.867 354 T HA -0.200 4.150 4.350 -0.000 0.000 0.268 354 T C 1.557 176.343 174.700 0.142 0.000 1.057 354 T CA 1.266 63.381 62.100 0.024 0.000 1.136 354 T CB -0.024 68.897 68.868 0.087 0.000 0.874 354 T HN 0.571 nan 8.240 nan 0.000 0.466 355 E N 1.330 121.593 120.200 0.107 0.000 2.058 355 E HA -0.120 4.230 4.350 -0.000 0.000 0.194 355 E C 2.047 178.713 176.600 0.111 0.000 0.997 355 E CA 1.052 57.530 56.400 0.131 0.000 0.801 355 E CB -0.304 29.442 29.700 0.077 0.000 0.746 355 E HN 0.563 nan 8.360 nan 0.000 0.450 356 L N -0.034 121.217 121.223 0.046 0.000 2.275 356 L HA -0.081 4.259 4.340 -0.000 0.000 0.215 356 L C 2.349 179.235 176.870 0.026 0.000 1.119 356 L CA 0.409 55.265 54.840 0.027 0.000 0.790 356 L CB -0.377 41.671 42.059 -0.017 0.000 0.919 356 L HN 0.162 nan 8.230 nan 0.000 0.443 357 F N -0.112 119.760 119.950 -0.130 0.000 2.146 357 F HA -0.229 4.298 4.527 -0.000 0.000 0.298 357 F C 2.189 177.828 175.800 -0.269 0.000 1.096 357 F CA 1.590 59.444 58.000 -0.242 0.000 1.275 357 F CB -0.189 38.575 39.000 -0.394 0.000 1.008 357 F HN -0.063 nan 8.300 nan 0.000 0.480 358 Y N -0.213 120.166 120.300 0.131 0.000 2.420 358 Y HA -0.029 4.521 4.550 -0.000 0.000 0.292 358 Y C 2.170 178.063 175.900 -0.013 0.000 1.119 358 Y CA 0.690 58.821 58.100 0.053 0.000 1.229 358 Y CB -0.256 38.264 38.460 0.099 0.000 1.026 358 Y HN -0.114 nan 8.280 nan 0.000 0.554 359 K N -0.538 119.936 120.400 0.123 0.000 2.280 359 K HA -0.031 4.289 4.320 -0.000 0.000 0.202 359 K C 1.418 178.022 176.600 0.007 0.000 1.047 359 K CA 1.109 57.437 56.287 0.068 0.000 0.942 359 K CB -0.172 32.364 32.500 0.059 0.000 0.739 359 K HN 0.483 nan 8.250 nan 0.000 0.457 360 G N 0.518 109.276 108.800 -0.070 0.000 2.205 360 G HA2 -0.133 3.827 3.960 -0.000 0.000 0.180 360 G HA3 -0.133 3.827 3.960 -0.000 0.000 0.180 360 G C 0.007 174.815 174.900 -0.153 0.000 1.004 360 G CA -0.535 44.488 45.100 -0.128 0.000 0.670 360 G HN 0.075 nan 8.290 nan 0.000 0.496 361 I N 2.586 123.082 120.570 -0.122 0.000 2.270 361 I HA 0.320 4.490 4.170 -0.000 0.000 0.300 361 I C 0.660 176.696 176.117 -0.135 0.000 1.186 361 I CA 0.202 61.448 61.300 -0.090 0.000 1.431 361 I CB -0.976 37.007 38.000 -0.029 0.000 1.485 361 I HN 0.144 nan 8.210 nan 0.000 0.650 362 R N 6.375 126.768 120.500 -0.178 0.000 2.480 362 R HA 0.458 4.798 4.340 -0.000 0.000 0.306 362 R C -2.311 173.938 176.300 -0.084 0.000 0.958 362 R CA -1.617 54.380 56.100 -0.171 0.000 0.861 362 R CB 1.794 31.891 30.300 -0.338 0.000 1.171 362 R HN 0.264 nan 8.270 nan 0.000 0.445 363 P HA 0.026 nan 4.420 nan 0.000 0.267 363 P C -0.338 176.973 177.300 0.018 0.000 1.209 363 P CA -0.156 62.953 63.100 0.015 0.000 0.763 363 P CB 0.968 32.676 31.700 0.014 0.000 0.816 364 A N 5.459 128.326 122.820 0.079 0.000 3.125 364 A HA 0.110 4.430 4.320 -0.000 0.000 0.272 364 A C 0.677 178.236 177.584 -0.043 0.000 1.976 364 A CA -0.081 51.980 52.037 0.041 0.000 1.502 364 A CB -1.470 17.617 19.000 0.146 0.000 0.959 364 A HN 0.536 nan 8.150 nan 0.000 0.608 365 I N 1.722 122.272 120.570 -0.032 0.000 2.312 365 I HA 0.108 4.278 4.170 -0.000 0.000 0.290 365 I C 0.304 176.399 176.117 -0.036 0.000 1.008 365 I CA -0.546 60.732 61.300 -0.035 0.000 1.226 365 I CB 1.149 39.152 38.000 0.004 0.000 1.371 365 I HN 0.445 nan 8.210 nan 0.000 0.468 366 N N 7.097 125.755 118.700 -0.070 0.000 2.719 366 N HA 0.073 4.813 4.740 -0.000 0.000 0.243 366 N C 0.932 176.481 175.510 0.064 0.000 1.104 366 N CA -0.094 52.945 53.050 -0.018 0.000 0.981 366 N CB 1.126 39.574 38.487 -0.065 0.000 1.290 366 N HN 0.421 nan 8.380 nan 0.000 0.513 367 V N 3.457 123.405 119.914 0.057 0.000 2.313 367 V HA -0.309 3.811 4.120 -0.000 0.000 0.253 367 V C 2.556 178.698 176.094 0.081 0.000 1.070 367 V CA 2.345 64.685 62.300 0.068 0.000 1.057 367 V CB -1.274 30.587 31.823 0.063 0.000 0.653 367 V HN 0.702 nan 8.190 nan 0.000 0.450 368 G N -0.640 108.209 108.800 0.080 0.000 2.596 368 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.223 368 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.223 368 G C 1.480 176.440 174.900 0.100 0.000 1.120 368 G CA 1.555 46.704 45.100 0.082 0.000 0.752 368 G HN 0.533 nan 8.290 nan 0.000 0.596 369 L N 0.018 121.333 121.223 0.153 0.000 2.731 369 L HA 0.263 4.602 4.340 -0.000 0.000 0.240 369 L C 0.530 177.480 176.870 0.134 0.000 1.120 369 L CA -0.164 54.766 54.840 0.150 0.000 0.913 369 L CB 0.694 42.887 42.059 0.223 0.000 1.213 369 L HN -0.024 nan 8.230 nan 0.000 0.515 370 S N 0.952 116.735 115.700 0.138 0.000 2.416 370 S HA 0.403 4.873 4.470 -0.000 0.000 0.287 370 S C -0.168 174.475 174.600 0.071 0.000 1.139 370 S CA -0.368 57.898 58.200 0.111 0.000 1.058 370 S CB 0.998 64.263 63.200 0.108 0.000 0.967 370 S HN 0.125 nan 8.310 nan 0.000 0.495 371 V N 1.331 121.280 119.914 0.057 0.000 3.074 371 V HA 0.937 5.057 4.120 -0.000 0.000 0.314 371 V C -0.396 175.718 176.094 0.034 0.000 1.117 371 V CA -0.789 61.535 62.300 0.041 0.000 1.014 371 V CB 2.182 34.025 31.823 0.034 0.000 1.057 371 V HN 0.590 nan 8.190 nan 0.000 0.438 372 S N 1.350 117.066 115.700 0.027 0.000 2.756 372 S HA 0.497 4.967 4.470 -0.000 0.000 0.303 372 S C 0.440 175.051 174.600 0.017 0.000 1.135 372 S CA -0.785 57.428 58.200 0.021 0.000 1.066 372 S CB 1.225 64.435 63.200 0.018 0.000 1.008 372 S HN 0.845 nan 8.310 nan 0.000 0.482 373 R N 3.265 123.775 120.500 0.017 0.000 2.346 373 R HA 0.089 4.429 4.340 -0.000 0.000 0.208 373 R C 0.742 177.048 176.300 0.010 0.000 1.052 373 R CA 0.338 56.446 56.100 0.014 0.000 1.116 373 R CB -0.161 30.149 30.300 0.016 0.000 1.003 373 R HN 0.461 nan 8.270 nan 0.000 0.482 374 V N -0.891 119.028 119.914 0.008 0.000 3.013 374 V HA 0.153 4.273 4.120 -0.000 0.000 0.238 374 V C 1.532 177.628 176.094 0.002 0.000 1.161 374 V CA 1.025 63.327 62.300 0.003 0.000 1.170 374 V CB 0.288 32.110 31.823 -0.001 0.000 0.917 374 V HN 0.618 nan 8.190 nan 0.000 0.478 375 G N 1.418 110.221 108.800 0.005 0.000 2.627 375 G HA2 -0.466 3.494 3.960 -0.000 0.000 0.312 375 G HA3 -0.466 3.494 3.960 -0.000 0.000 0.312 375 G C 1.393 176.293 174.900 -0.000 0.000 1.299 375 G CA 1.894 46.997 45.100 0.005 0.000 0.989 375 G HN 1.062 nan 8.290 nan 0.000 0.547 376 S N 0.405 116.105 115.700 -0.000 0.000 2.389 376 S HA -0.108 4.362 4.470 -0.000 0.000 0.231 376 S C 2.750 177.345 174.600 -0.009 0.000 1.052 376 S CA 3.290 61.488 58.200 -0.004 0.000 1.053 376 S CB -1.026 62.173 63.200 -0.002 0.000 0.886 376 S HN 2.308 nan 8.310 nan 0.000 0.456 377 A N 1.618 124.433 122.820 -0.008 0.000 2.054 377 A HA 0.140 4.460 4.320 -0.000 0.000 0.223 377 A C 2.070 179.641 177.584 -0.021 0.000 1.169 377 A CA 1.877 53.907 52.037 -0.013 0.000 0.655 377 A CB -1.168 17.826 19.000 -0.010 0.000 0.812 377 A HN 1.391 nan 8.150 nan 0.000 0.462 378 A N -1.158 121.650 122.820 -0.021 0.000 2.713 378 A HA 0.468 4.788 4.320 -0.000 0.000 0.296 378 A C 0.271 177.836 177.584 -0.032 0.000 1.255 378 A CA -0.377 51.642 52.037 -0.031 0.000 0.955 378 A CB 0.067 19.051 19.000 -0.027 0.000 1.149 378 A HN 0.553 nan 8.150 nan 0.000 0.538 379 Q N 0.586 120.369 119.800 -0.028 0.000 2.356 379 Q HA 0.422 4.762 4.340 -0.000 0.000 0.270 379 Q C -0.364 175.618 176.000 -0.030 0.000 1.058 379 Q CA -0.635 55.153 55.803 -0.025 0.000 0.802 379 Q CB 2.150 30.880 28.738 -0.013 0.000 1.303 379 Q HN 0.466 nan 8.270 nan 0.000 0.444 380 T N -0.717 113.817 114.554 -0.033 0.000 2.918 380 T HA 0.175 4.525 4.350 -0.000 0.000 0.302 380 T C 1.273 175.959 174.700 -0.023 0.000 1.045 380 T CA -0.648 61.431 62.100 -0.035 0.000 1.114 380 T CB 0.876 69.720 68.868 -0.039 0.000 0.965 380 T HN 0.488 nan 8.240 nan 0.000 0.540 381 R N 2.391 122.878 120.500 -0.023 0.000 2.179 381 R HA -0.219 4.121 4.340 -0.000 0.000 0.238 381 R C 2.750 179.044 176.300 -0.010 0.000 1.119 381 R CA 2.088 58.179 56.100 -0.015 0.000 0.915 381 R CB -1.847 28.443 30.300 -0.017 0.000 0.870 381 R HN 0.927 nan 8.270 nan 0.000 0.432 382 A N 1.193 124.006 122.820 -0.012 0.000 1.873 382 A HA -0.265 4.055 4.320 -0.000 0.000 0.218 382 A C 2.327 179.913 177.584 0.004 0.000 1.193 382 A CA 2.344 54.377 52.037 -0.008 0.000 0.629 382 A CB -0.570 18.420 19.000 -0.017 0.000 0.826 382 A HN 0.391 nan 8.150 nan 0.000 0.447 383 M N -0.162 119.439 119.600 0.002 0.000 2.080 383 M HA -0.140 4.340 4.480 -0.000 0.000 0.260 383 M C 1.970 178.275 176.300 0.009 0.000 1.068 383 M CA 2.454 57.759 55.300 0.009 0.000 1.109 383 M CB -0.444 32.159 32.600 0.004 0.000 1.342 383 M HN 0.409 nan 8.290 nan 0.000 0.405 384 K N -0.569 119.832 120.400 0.002 0.000 2.113 384 K HA -0.251 4.069 4.320 -0.000 0.000 0.208 384 K C 2.079 178.683 176.600 0.007 0.000 1.047 384 K CA 1.983 58.272 56.287 0.002 0.000 0.928 384 K CB -0.165 32.334 32.500 -0.003 0.000 0.716 384 K HN 0.593 nan 8.250 nan 0.000 0.446 385 Q N -0.128 119.679 119.800 0.011 0.000 1.948 385 Q HA -0.185 4.155 4.340 -0.000 0.000 0.205 385 Q C 2.140 178.156 176.000 0.026 0.000 0.992 385 Q CA 2.467 58.282 55.803 0.020 0.000 0.849 385 Q CB -0.151 28.603 28.738 0.026 0.000 0.918 385 Q HN 0.354 nan 8.270 nan 0.000 0.421 386 V N -2.081 117.858 119.914 0.043 0.000 2.548 386 V HA -0.034 4.086 4.120 -0.000 0.000 0.249 386 V C 1.969 178.069 176.094 0.010 0.000 1.055 386 V CA 1.552 63.877 62.300 0.042 0.000 1.065 386 V CB -1.157 30.721 31.823 0.092 0.000 0.681 386 V HN 0.326 nan 8.190 nan 0.000 0.462 387 A N 0.946 123.774 122.820 0.012 0.000 2.239 387 A HA 0.280 4.600 4.320 -0.000 0.000 0.209 387 A C 2.256 179.840 177.584 0.000 0.000 1.171 387 A CA 1.150 53.189 52.037 0.004 0.000 0.768 387 A CB -1.366 17.638 19.000 0.007 0.000 0.790 387 A HN 0.805 nan 8.150 nan 0.000 0.478 388 G N 0.791 109.591 108.800 0.001 0.000 3.889 388 G HA2 -0.423 3.537 3.960 -0.000 0.000 0.260 388 G HA3 -0.423 3.537 3.960 -0.000 0.000 0.260 388 G C 1.195 176.094 174.900 -0.001 0.000 0.899 388 G CA 2.279 47.378 45.100 -0.001 0.000 0.756 388 G HN 1.260 nan 8.290 nan 0.000 1.407 389 T N -2.936 111.615 114.554 -0.005 0.000 3.380 389 T HA 0.525 4.875 4.350 -0.000 0.000 0.289 389 T C 1.484 176.184 174.700 0.000 0.000 1.012 389 T CA 0.749 62.849 62.100 0.000 0.000 0.944 389 T CB 0.379 69.247 68.868 0.000 0.000 1.172 389 T HN 0.412 nan 8.240 nan 0.000 0.502 390 M N 1.023 120.621 119.600 -0.004 0.000 2.229 390 M HA 0.049 4.529 4.480 -0.000 0.000 0.264 390 M C 2.167 178.474 176.300 0.011 0.000 1.063 390 M CA 1.401 56.697 55.300 -0.005 0.000 1.114 390 M CB -0.171 32.421 32.600 -0.014 0.000 1.387 390 M HN 0.302 nan 8.290 nan 0.000 0.420 391 K N 0.662 121.071 120.400 0.016 0.000 1.991 391 K HA -0.164 4.156 4.320 -0.000 0.000 0.212 391 K C 1.855 178.477 176.600 0.038 0.000 1.049 391 K CA 1.868 58.172 56.287 0.027 0.000 0.932 391 K CB -0.312 32.203 32.500 0.024 0.000 0.717 391 K HN 0.439 nan 8.250 nan 0.000 0.441 392 L N 0.624 121.866 121.223 0.031 0.000 2.083 392 L HA -0.163 4.177 4.340 -0.000 0.000 0.209 392 L C 2.651 179.548 176.870 0.045 0.000 1.083 392 L CA 1.440 56.301 54.840 0.035 0.000 0.752 392 L CB -0.671 41.404 42.059 0.026 0.000 0.899 392 L HN 0.445 nan 8.230 nan 0.000 0.433 393 E N 1.093 121.317 120.200 0.039 0.000 2.085 393 E HA -0.239 4.111 4.350 -0.000 0.000 0.194 393 E C 2.349 179.003 176.600 0.090 0.000 0.994 393 E CA 1.275 57.703 56.400 0.047 0.000 0.801 393 E CB -0.055 29.658 29.700 0.022 0.000 0.743 393 E HN 0.462 nan 8.360 nan 0.000 0.453 394 L N 0.394 121.671 121.223 0.090 0.000 1.994 394 L HA -0.140 4.200 4.340 -0.000 0.000 0.208 394 L C 2.731 179.722 176.870 0.202 0.000 1.071 394 L CA 1.141 56.076 54.840 0.159 0.000 0.745 394 L CB -0.508 41.615 42.059 0.106 0.000 0.892 394 L HN 0.244 nan 8.230 nan 0.000 0.431 395 A N -1.100 121.788 122.820 0.113 0.000 2.070 395 A HA -0.189 4.131 4.320 -0.000 0.000 0.220 395 A C 2.154 179.770 177.584 0.054 0.000 1.159 395 A CA 1.233 53.314 52.037 0.073 0.000 0.656 395 A CB -0.259 18.773 19.000 0.053 0.000 0.800 395 A HN 0.445 nan 8.150 nan 0.000 0.453 396 Q N -2.015 117.832 119.800 0.077 0.000 2.398 396 Q HA -0.044 4.296 4.340 -0.000 0.000 0.204 396 Q C 1.712 177.765 176.000 0.089 0.000 0.932 396 Q CA 1.028 56.869 55.803 0.063 0.000 0.916 396 Q CB -0.207 28.566 28.738 0.058 0.000 1.024 396 Q HN 0.963 nan 8.270 nan 0.000 0.504 397 Y N 1.328 121.641 120.300 0.022 0.000 2.263 397 Y HA -0.040 4.510 4.550 -0.000 0.000 0.292 397 Y C 1.856 177.781 175.900 0.041 0.000 1.130 397 Y CA 1.016 59.131 58.100 0.025 0.000 1.179 397 Y CB -0.001 38.468 38.460 0.014 0.000 0.998 397 Y HN -0.119 nan 8.280 nan 0.000 0.532 398 R N 1.180 121.422 120.500 -0.430 0.000 2.127 398 R HA -0.175 4.165 4.340 -0.000 0.000 0.238 398 R C 1.992 178.143 176.300 -0.249 0.000 1.134 398 R CA 1.633 57.439 56.100 -0.490 0.000 0.975 398 R CB -0.720 29.458 30.300 -0.203 0.000 0.865 398 R HN 0.610 nan 8.270 nan 0.000 0.447 399 E N 0.215 120.353 120.200 -0.105 0.000 2.118 399 E HA -0.124 4.226 4.350 -0.000 0.000 0.195 399 E C 1.809 178.442 176.600 0.054 0.000 0.992 399 E CA 1.271 57.665 56.400 -0.010 0.000 0.804 399 E CB 0.116 29.833 29.700 0.029 0.000 0.741 399 E HN 0.063 nan 8.360 nan 0.000 0.458 400 V N 0.604 120.536 119.914 0.030 0.000 3.129 400 V HA -0.069 4.051 4.120 -0.000 0.000 0.259 400 V C 2.081 178.255 176.094 0.134 0.000 1.116 400 V CA 1.114 63.499 62.300 0.142 0.000 1.127 400 V CB -0.137 31.750 31.823 0.107 0.000 0.742 400 V HN 0.260 nan 8.190 nan 0.000 0.474 401 A N 0.556 123.291 122.820 -0.140 0.000 2.076 401 A HA -0.095 4.225 4.320 -0.000 0.000 0.220 401 A C 2.364 179.923 177.584 -0.042 0.000 1.160 401 A CA 1.760 53.684 52.037 -0.188 0.000 0.653 401 A CB -0.462 18.254 19.000 -0.474 0.000 0.801 401 A HN 0.560 nan 8.150 nan 0.000 0.455 402 A N -1.325 121.471 122.820 -0.039 0.000 2.067 402 A HA 0.132 4.452 4.320 -0.000 0.000 0.219 402 A C 1.789 179.264 177.584 -0.182 0.000 1.158 402 A CA 1.216 53.168 52.037 -0.142 0.000 0.661 402 A CB -0.564 18.282 19.000 -0.256 0.000 0.801 402 A HN 0.471 nan 8.150 nan 0.000 0.452 403 F N 0.328 120.265 119.950 -0.021 0.000 2.123 403 F HA 0.316 4.843 4.527 -0.000 0.000 0.289 403 F C 2.015 177.818 175.800 0.006 0.000 1.099 403 F CA 0.196 58.194 58.000 -0.004 0.000 1.234 403 F CB -0.968 38.034 39.000 0.002 0.000 1.034 403 F HN 0.184 nan 8.300 nan 0.000 0.479 410 L N 1.821 123.028 121.223 -0.027 0.000 2.573 410 L HA 0.062 4.402 4.340 -0.000 0.000 0.290 410 L C 0.456 177.291 176.870 -0.058 0.000 1.247 410 L CA 0.516 55.317 54.840 -0.065 0.000 0.876 410 L CB 0.447 42.467 42.059 -0.065 0.000 1.123 410 L HN 0.376 nan 8.230 nan 0.000 0.505 411 D N 3.458 123.810 120.400 -0.080 0.000 2.350 411 D HA 0.088 4.728 4.640 -0.000 0.000 0.249 411 D C 0.833 177.100 176.300 -0.055 0.000 1.119 411 D CA 0.102 54.066 54.000 -0.060 0.000 0.886 411 D CB 1.531 42.293 40.800 -0.063 0.000 1.195 411 D HN 0.605 nan 8.370 nan 0.000 0.437 412 A N 3.188 125.985 122.820 -0.038 0.000 1.985 412 A HA -0.245 4.075 4.320 -0.000 0.000 0.223 412 A C 2.132 179.695 177.584 -0.034 0.000 1.189 412 A CA 2.888 54.906 52.037 -0.032 0.000 0.658 412 A CB -0.951 18.034 19.000 -0.025 0.000 0.820 412 A HN 0.805 nan 8.150 nan 0.000 0.464 413 A N -1.429 121.367 122.820 -0.039 0.000 1.829 413 A HA -0.118 4.202 4.320 -0.000 0.000 0.216 413 A C 2.285 179.843 177.584 -0.044 0.000 1.207 413 A CA 2.443 54.458 52.037 -0.038 0.000 0.622 413 A CB -1.541 17.436 19.000 -0.039 0.000 0.846 413 A HN 0.451 nan 8.150 nan 0.000 0.447 414 T N -0.240 114.274 114.554 -0.066 0.000 2.849 414 T HA -0.166 4.184 4.350 -0.000 0.000 0.270 414 T C 1.966 176.634 174.700 -0.054 0.000 1.066 414 T CA 1.607 63.661 62.100 -0.077 0.000 1.130 414 T CB -0.251 68.523 68.868 -0.156 0.000 0.864 414 T HN 0.543 nan 8.240 nan 0.000 0.481 415 Q N 0.114 119.883 119.800 -0.052 0.000 2.226 415 Q HA -0.182 4.158 4.340 -0.000 0.000 0.204 415 Q C 2.383 178.374 176.000 -0.015 0.000 0.975 415 Q CA 1.201 56.986 55.803 -0.029 0.000 0.866 415 Q CB -0.021 28.699 28.738 -0.029 0.000 0.915 415 Q HN 0.417 nan 8.270 nan 0.000 0.440 416 Q N 0.277 120.064 119.800 -0.021 0.000 2.062 416 Q HA -0.075 4.265 4.340 -0.000 0.000 0.196 416 Q C 1.825 177.818 176.000 -0.010 0.000 0.967 416 Q CA 1.173 56.964 55.803 -0.020 0.000 0.832 416 Q CB -0.174 28.550 28.738 -0.024 0.000 0.899 416 Q HN 0.400 nan 8.270 nan 0.000 0.442 417 L N -0.013 121.212 121.223 0.004 0.000 2.129 417 L HA -0.193 4.147 4.340 -0.000 0.000 0.212 417 L C 1.997 178.915 176.870 0.079 0.000 1.087 417 L CA 0.800 55.661 54.840 0.036 0.000 0.757 417 L CB -0.437 41.650 42.059 0.048 0.000 0.896 417 L HN 0.287 nan 8.230 nan 0.000 0.434 418 L N -1.643 119.632 121.223 0.086 0.000 2.591 418 L HA 0.039 4.379 4.340 -0.000 0.000 0.228 418 L C 2.004 178.878 176.870 0.007 0.000 1.133 418 L CA 0.829 55.751 54.840 0.137 0.000 0.880 418 L CB 0.040 42.184 42.059 0.141 0.000 1.033 418 L HN 0.016 nan 8.230 nan 0.000 0.450 419 S N -1.455 114.228 115.700 -0.028 0.000 2.483 419 S HA 0.142 4.612 4.470 -0.000 0.000 0.221 419 S C 1.904 176.445 174.600 -0.098 0.000 1.030 419 S CA -0.128 58.038 58.200 -0.057 0.000 0.925 419 S CB 0.096 63.272 63.200 -0.040 0.000 0.795 419 S HN 0.313 nan 8.310 nan 0.000 0.511 420 R N 1.410 121.847 120.500 -0.106 0.000 2.057 420 R HA 0.120 4.460 4.340 -0.000 0.000 0.224 420 R C 2.564 178.743 176.300 -0.203 0.000 1.136 420 R CA 1.314 57.338 56.100 -0.127 0.000 0.968 420 R CB -1.368 28.875 30.300 -0.096 0.000 0.863 420 R HN 0.449 nan 8.270 nan 0.000 0.433 421 G N 0.536 109.153 108.800 -0.304 0.000 2.507 421 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.221 421 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.221 421 G C 1.425 175.922 174.900 -0.672 0.000 1.119 421 G CA 1.093 45.813 45.100 -0.633 0.000 0.751 421 G HN 0.213 nan 8.290 nan 0.000 0.574 422 V N 0.161 119.785 119.914 -0.485 0.000 2.719 422 V HA 0.004 4.124 4.120 -0.000 0.000 0.252 422 V C 2.822 178.813 176.094 -0.172 0.000 1.065 422 V CA 1.142 63.268 62.300 -0.289 0.000 1.086 422 V CB -0.239 31.489 31.823 -0.157 0.000 0.700 422 V HN 0.226 nan 8.190 nan 0.000 0.467 423 R N 0.097 120.501 120.500 -0.159 0.000 2.052 423 R HA 0.129 4.469 4.340 -0.000 0.000 0.224 423 R C 2.279 178.522 176.300 -0.095 0.000 1.149 423 R CA 1.019 57.057 56.100 -0.104 0.000 0.962 423 R CB -0.802 29.439 30.300 -0.099 0.000 0.856 423 R HN 0.389 nan 8.270 nan 0.000 0.433 424 L N 0.671 121.823 121.223 -0.117 0.000 2.043 424 L HA -0.202 4.138 4.340 -0.000 0.000 0.212 424 L C 2.420 179.246 176.870 -0.074 0.000 1.075 424 L CA 1.660 56.447 54.840 -0.089 0.000 0.752 424 L CB -1.083 40.919 42.059 -0.095 0.000 0.891 424 L HN 0.216 nan 8.230 nan 0.000 0.432 425 T N -0.656 113.837 114.554 -0.103 0.000 2.635 425 T HA -0.199 4.151 4.350 -0.000 0.000 0.267 425 T C 1.810 176.483 174.700 -0.046 0.000 1.040 425 T CA 1.521 63.576 62.100 -0.074 0.000 1.156 425 T CB -0.172 68.638 68.868 -0.098 0.000 0.863 425 T HN 0.332 nan 8.240 nan 0.000 0.430 426 E N 0.923 121.098 120.200 -0.042 0.000 2.110 426 E HA 0.003 4.353 4.350 -0.000 0.000 0.193 426 E C 2.256 178.854 176.600 -0.004 0.000 0.988 426 E CA 0.635 57.025 56.400 -0.016 0.000 0.804 426 E CB -0.410 29.290 29.700 -0.000 0.000 0.745 426 E HN 0.468 nan 8.360 nan 0.000 0.458 427 L N 0.389 121.609 121.223 -0.005 0.000 2.362 427 L HA -0.079 4.261 4.340 -0.000 0.000 0.219 427 L C 2.193 179.059 176.870 -0.006 0.000 1.134 427 L CA 0.409 55.253 54.840 0.006 0.000 0.807 427 L CB -0.137 41.925 42.059 0.004 0.000 0.927 427 L HN 0.101 nan 8.230 nan 0.000 0.447 428 L N -0.977 120.236 121.223 -0.016 0.000 2.416 428 L HA 0.016 4.356 4.340 -0.000 0.000 0.216 428 L C 1.007 177.864 176.870 -0.023 0.000 1.098 428 L CA 0.104 54.934 54.840 -0.017 0.000 0.840 428 L CB -0.067 41.982 42.059 -0.017 0.000 0.981 428 L HN 0.106 nan 8.230 nan 0.000 0.462 429 K N 0.982 121.367 120.400 -0.026 0.000 2.440 429 K HA 0.101 4.421 4.320 -0.000 0.000 0.270 429 K C -0.111 176.468 176.600 -0.036 0.000 0.980 429 K CA 0.527 56.793 56.287 -0.036 0.000 0.953 429 K CB 0.513 32.992 32.500 -0.035 0.000 0.925 429 K HN 0.025 nan 8.250 nan 0.000 0.497 430 Q N -0.675 119.097 119.800 -0.048 0.000 2.685 430 Q HA 0.405 4.745 4.340 -0.000 0.000 0.301 430 Q C -1.242 174.715 176.000 -0.072 0.000 0.924 430 Q CA -0.770 55.001 55.803 -0.054 0.000 0.755 430 Q CB 1.954 30.658 28.738 -0.056 0.000 1.470 430 Q HN 0.743 nan 8.270 nan 0.000 0.434 431 G N 0.594 109.347 108.800 -0.080 0.000 2.437 431 G HA2 0.460 4.420 3.960 -0.000 0.000 0.319 431 G HA3 0.460 4.420 3.960 -0.000 0.000 0.319 431 G C -0.994 173.792 174.900 -0.190 0.000 1.158 431 G CA -0.265 44.774 45.100 -0.103 0.000 0.899 431 G HN 0.497 nan 8.290 nan 0.000 0.502 432 Q N -0.870 118.737 119.800 -0.322 0.000 2.260 432 Q HA 0.336 4.676 4.340 -0.000 0.000 0.238 432 Q C -0.460 175.097 176.000 -0.739 0.000 0.948 432 Q CA -0.478 54.876 55.803 -0.748 0.000 0.895 432 Q CB 1.091 29.046 28.738 -1.305 0.000 1.218 432 Q HN 0.673 nan 8.270 nan 0.000 0.470 433 Y N -1.475 118.812 120.300 -0.022 0.000 4.604 433 Y HA -0.274 4.276 4.550 -0.000 0.000 0.230 433 Y C -0.079 175.802 175.900 -0.032 0.000 1.066 433 Y CA 0.322 58.405 58.100 -0.029 0.000 1.990 433 Y CB -1.918 36.525 38.460 -0.029 0.000 1.619 433 Y HN 0.321 nan 8.280 nan 0.000 0.649 434 S N 0.098 115.781 115.700 -0.029 0.000 2.128 434 S HA 0.381 4.851 4.470 -0.000 0.000 0.157 434 S C -2.245 172.322 174.600 -0.055 0.000 1.650 434 S CA -0.925 57.260 58.200 -0.026 0.000 1.269 434 S CB 1.031 64.215 63.200 -0.026 0.000 1.227 434 S HN -0.006 nan 8.310 nan 0.000 0.405 435 P HA 0.358 nan 4.420 nan 0.000 0.272 435 P C -0.521 176.739 177.300 -0.066 0.000 1.240 435 P CA -0.337 62.722 63.100 -0.067 0.000 0.791 435 P CB 0.492 32.144 31.700 -0.080 0.000 0.978 436 M N 0.648 120.213 119.600 -0.058 0.000 2.456 436 M HA 0.549 5.029 4.480 -0.000 0.000 0.324 436 M C -0.049 176.226 176.300 -0.041 0.000 1.124 436 M CA -0.911 54.359 55.300 -0.051 0.000 0.959 436 M CB 2.080 34.656 32.600 -0.039 0.000 1.692 436 M HN 0.265 nan 8.290 nan 0.000 0.444 437 A N 1.517 124.312 122.820 -0.041 0.000 2.445 437 A HA 0.183 4.503 4.320 -0.000 0.000 0.242 437 A C 0.972 178.563 177.584 0.012 0.000 1.075 437 A CA -0.331 51.700 52.037 -0.010 0.000 0.777 437 A CB 0.034 19.023 19.000 -0.019 0.000 1.013 437 A HN 0.957 nan 8.150 nan 0.000 0.493 438 I N 0.864 121.464 120.570 0.051 0.000 2.399 438 I HA -0.247 3.923 4.170 -0.000 0.000 0.254 438 I C 2.324 178.447 176.117 0.010 0.000 1.146 438 I CA 2.325 63.647 61.300 0.036 0.000 1.412 438 I CB -0.332 37.694 38.000 0.043 0.000 1.076 438 I HN 0.844 nan 8.210 nan 0.000 0.432 439 E N -0.065 120.134 120.200 -0.001 0.000 2.158 439 E HA -0.220 4.130 4.350 -0.000 0.000 0.191 439 E C 1.741 178.323 176.600 -0.030 0.000 0.982 439 E CA 1.240 57.627 56.400 -0.021 0.000 0.823 439 E CB -0.620 29.061 29.700 -0.032 0.000 0.766 439 E HN 0.630 nan 8.360 nan 0.000 0.468 440 E N 1.075 121.254 120.200 -0.036 0.000 2.107 440 E HA -0.150 4.200 4.350 -0.000 0.000 0.191 440 E C 2.270 178.864 176.600 -0.011 0.000 0.982 440 E CA 1.100 57.469 56.400 -0.051 0.000 0.809 440 E CB -0.038 29.622 29.700 -0.068 0.000 0.756 440 E HN 0.379 nan 8.360 nan 0.000 0.459 441 Q N 0.382 120.182 119.800 -0.000 0.000 2.084 441 Q HA -0.125 4.215 4.340 -0.000 0.000 0.202 441 Q C 2.381 178.406 176.000 0.041 0.000 0.978 441 Q CA 1.294 57.107 55.803 0.017 0.000 0.844 441 Q CB -0.056 28.689 28.738 0.012 0.000 0.898 441 Q HN 0.131 nan 8.270 nan 0.000 0.426 442 V N 1.217 121.152 119.914 0.034 0.000 2.343 442 V HA -0.289 3.831 4.120 -0.000 0.000 0.247 442 V C 2.331 178.484 176.094 0.098 0.000 1.051 442 V CA 1.771 64.101 62.300 0.050 0.000 1.036 442 V CB -1.085 30.747 31.823 0.015 0.000 0.654 442 V HN 0.417 nan 8.190 nan 0.000 0.451 443 A N 0.489 123.360 122.820 0.084 0.000 1.892 443 A HA -0.209 4.111 4.320 -0.000 0.000 0.218 443 A C 2.475 180.263 177.584 0.340 0.000 1.188 443 A CA 2.699 54.843 52.037 0.179 0.000 0.631 443 A CB -0.869 18.196 19.000 0.109 0.000 0.822 443 A HN 0.651 nan 8.150 nan 0.000 0.447 444 V N -1.422 118.652 119.914 0.267 0.000 2.346 444 V HA -0.136 3.984 4.120 -0.000 0.000 0.244 444 V C 2.176 178.329 176.094 0.099 0.000 1.037 444 V CA 1.742 64.157 62.300 0.191 0.000 1.029 444 V CB -0.761 31.136 31.823 0.124 0.000 0.663 444 V HN 0.494 nan 8.190 nan 0.000 0.454 445 I N -0.333 120.290 120.570 0.088 0.000 2.248 445 I HA -0.265 3.905 4.170 -0.000 0.000 0.248 445 I C 2.601 178.747 176.117 0.049 0.000 1.107 445 I CA 2.786 64.115 61.300 0.049 0.000 1.373 445 I CB -0.657 37.368 38.000 0.043 0.000 1.055 445 I HN 0.545 nan 8.210 nan 0.000 0.418 446 Y N 2.057 122.342 120.300 -0.025 0.000 2.114 446 Y HA -0.323 4.227 4.550 -0.000 0.000 0.282 446 Y C 2.578 178.421 175.900 -0.094 0.000 1.165 446 Y CA 1.691 59.761 58.100 -0.050 0.000 1.148 446 Y CB -0.482 37.977 38.460 -0.002 0.000 0.972 446 Y HN 0.126 nan 8.280 nan 0.000 0.504 447 A N -0.170 122.626 122.820 -0.041 0.000 2.024 447 A HA -0.116 4.204 4.320 -0.000 0.000 0.220 447 A C 2.352 179.821 177.584 -0.192 0.000 1.164 447 A CA 1.861 53.812 52.037 -0.144 0.000 0.643 447 A CB -1.524 17.398 19.000 -0.131 0.000 0.806 447 A HN 0.648 nan 8.150 nan 0.000 0.451 448 G N -1.143 107.562 108.800 -0.158 0.000 2.497 448 G HA2 0.097 4.057 3.960 -0.000 0.000 0.210 448 G HA3 0.097 4.057 3.960 -0.000 0.000 0.210 448 G C 1.385 176.153 174.900 -0.221 0.000 1.177 448 G CA 0.840 45.849 45.100 -0.152 0.000 0.822 448 G HN 0.272 nan 8.290 nan 0.000 0.550 449 V N 1.490 121.274 119.914 -0.216 0.000 2.469 449 V HA -0.075 4.045 4.120 -0.000 0.000 0.251 449 V C 2.216 178.103 176.094 -0.346 0.000 1.064 449 V CA 1.170 63.337 62.300 -0.221 0.000 1.066 449 V CB -0.432 31.302 31.823 -0.147 0.000 0.667 449 V HN 0.146 nan 8.190 nan 0.000 0.461 450 R N 0.508 120.646 120.500 -0.604 0.000 2.547 450 R HA 0.231 4.571 4.340 -0.000 0.000 0.258 450 R C 1.762 177.513 176.300 -0.915 0.000 1.115 450 R CA 0.463 56.029 56.100 -0.890 0.000 1.152 450 R CB -0.877 28.511 30.300 -1.521 0.000 1.221 450 R HN 0.594 nan 8.270 nan 0.000 0.539 451 G N 0.601 109.119 108.800 -0.470 0.000 2.216 451 G HA2 -0.372 3.588 3.960 -0.000 0.000 0.269 451 G HA3 -0.372 3.588 3.960 -0.000 0.000 0.269 451 G C 0.839 175.682 174.900 -0.094 0.000 0.981 451 G CA 0.786 45.740 45.100 -0.243 0.000 0.658 451 G HN 0.590 nan 8.290 nan 0.000 0.539 452 Y N -0.454 119.736 120.300 -0.182 0.000 2.716 452 Y HA 0.215 4.765 4.550 -0.000 0.000 0.302 452 Y C 2.283 178.074 175.900 -0.182 0.000 1.160 452 Y CA 0.410 58.407 58.100 -0.171 0.000 1.362 452 Y CB 0.063 38.408 38.460 -0.192 0.000 0.988 452 Y HN 0.336 nan 8.280 nan 0.000 0.546 453 L N -0.676 120.515 121.223 -0.053 0.000 3.069 453 L HA 0.108 4.448 4.340 -0.000 0.000 0.271 453 L C 0.469 177.282 176.870 -0.095 0.000 1.201 453 L CA -0.158 54.606 54.840 -0.127 0.000 1.015 453 L CB 0.221 42.176 42.059 -0.172 0.000 1.371 453 L HN 0.041 nan 8.230 nan 0.000 0.574 454 D N 0.965 121.324 120.400 -0.068 0.000 2.310 454 D HA -0.119 4.521 4.640 -0.000 0.000 0.212 454 D C 1.012 177.282 176.300 -0.050 0.000 0.965 454 D CA 1.204 55.167 54.000 -0.061 0.000 0.879 454 D CB 0.140 40.909 40.800 -0.052 0.000 0.921 454 D HN 0.145 nan 8.370 nan 0.000 0.510 455 K N 0.034 120.405 120.400 -0.049 0.000 3.109 455 K HA 0.256 4.576 4.320 -0.000 0.000 0.214 455 K C -0.749 175.822 176.600 -0.049 0.000 1.196 455 K CA -0.354 55.908 56.287 -0.042 0.000 1.115 455 K CB 0.547 33.025 32.500 -0.035 0.000 1.103 455 K HN -0.048 nan 8.250 nan 0.000 0.467 456 L N -0.497 120.695 121.223 -0.053 0.000 2.350 456 L HA 0.396 4.736 4.340 -0.000 0.000 0.260 456 L C -1.029 175.826 176.870 -0.025 0.000 1.015 456 L CA -0.611 54.201 54.840 -0.046 0.000 0.821 456 L CB 2.036 44.044 42.059 -0.084 0.000 1.370 456 L HN 0.066 nan 8.230 nan 0.000 0.416 457 E N 3.954 124.152 120.200 -0.003 0.000 2.180 457 E HA 0.210 4.560 4.350 -0.000 0.000 0.283 457 E C -1.894 174.717 176.600 0.018 0.000 1.061 457 E CA -1.629 54.774 56.400 0.005 0.000 0.861 457 E CB 1.148 30.854 29.700 0.010 0.000 1.056 457 E HN 0.482 nan 8.360 nan 0.000 0.407 458 P HA -0.345 nan 4.420 nan 0.000 0.216 458 P C 1.215 178.534 177.300 0.031 0.000 1.151 458 P CA 2.407 65.510 63.100 0.005 0.000 0.953 458 P CB -0.006 31.689 31.700 -0.007 0.000 0.789 459 S N -1.377 114.341 115.700 0.031 0.000 2.461 459 S HA -0.213 4.257 4.470 -0.000 0.000 0.249 459 S C 1.564 176.212 174.600 0.081 0.000 1.012 459 S CA 1.282 59.509 58.200 0.044 0.000 0.982 459 S CB -0.922 62.298 63.200 0.033 0.000 0.764 459 S HN 0.208 nan 8.310 nan 0.000 0.506 460 K N 0.790 121.253 120.400 0.105 0.000 2.323 460 K HA 0.308 4.628 4.320 -0.000 0.000 0.197 460 K C 1.937 178.693 176.600 0.261 0.000 1.043 460 K CA 0.351 56.759 56.287 0.202 0.000 0.997 460 K CB -0.340 32.283 32.500 0.204 0.000 0.807 460 K HN 0.448 nan 8.250 nan 0.000 0.497 461 I N 1.294 121.962 120.570 0.162 0.000 2.087 461 I HA -0.369 3.801 4.170 -0.000 0.000 0.240 461 I C 2.220 178.460 176.117 0.204 0.000 1.054 461 I CA 1.698 63.102 61.300 0.173 0.000 1.311 461 I CB -0.901 37.152 38.000 0.088 0.000 1.024 461 I HN 0.122 nan 8.210 nan 0.000 0.402 462 T N 0.322 114.954 114.554 0.131 0.000 2.665 462 T HA -0.284 4.066 4.350 -0.000 0.000 0.268 462 T C 1.924 176.694 174.700 0.117 0.000 1.035 462 T CA 1.955 64.111 62.100 0.094 0.000 1.151 462 T CB -0.280 68.625 68.868 0.062 0.000 0.862 462 T HN 0.309 nan 8.240 nan 0.000 0.438 463 K N -0.143 120.372 120.400 0.193 0.000 2.152 463 K HA -0.115 4.205 4.320 -0.000 0.000 0.206 463 K C 2.008 178.752 176.600 0.241 0.000 1.048 463 K CA 1.129 57.572 56.287 0.259 0.000 0.933 463 K CB -0.267 32.455 32.500 0.370 0.000 0.721 463 K HN 0.354 nan 8.250 nan 0.000 0.447 464 F N 1.878 121.803 119.950 -0.042 0.000 2.128 464 F HA -0.067 4.461 4.527 0.000 0.000 0.295 464 F C 2.131 177.830 175.800 -0.168 0.000 1.100 464 F CA 1.638 59.341 58.000 -0.495 0.000 1.260 464 F CB -0.489 38.194 39.000 -0.528 0.000 1.009 464 F HN 0.120 nan 8.300 nan 0.000 0.476 465 E N 0.391 120.380 120.200 -0.352 0.000 2.086 465 E HA -0.295 4.055 4.350 -0.000 0.000 0.200 465 E C 1.979 178.422 176.600 -0.262 0.000 1.012 465 E CA 1.661 57.844 56.400 -0.360 0.000 0.812 465 E CB -0.283 29.356 29.700 -0.101 0.000 0.743 465 E HN 0.444 nan 8.360 nan 0.000 0.453 466 N N 0.512 119.132 118.700 -0.134 0.000 2.000 466 N HA -0.229 4.511 4.740 -0.000 0.000 0.198 466 N C 1.860 177.326 175.510 -0.073 0.000 1.057 466 N CA 1.689 54.698 53.050 -0.068 0.000 0.858 466 N CB -0.826 37.667 38.487 0.011 0.000 1.057 466 N HN 0.278 nan 8.380 nan 0.000 0.423 467 A N 1.217 124.034 122.820 -0.006 0.000 1.884 467 A HA -0.218 4.102 4.320 -0.000 0.000 0.219 467 A C 2.176 179.772 177.584 0.021 0.000 1.197 467 A CA 1.676 53.799 52.037 0.143 0.000 0.637 467 A CB -1.223 17.987 19.000 0.349 0.000 0.827 467 A HN 0.343 nan 8.150 nan 0.000 0.450 468 F N 0.222 119.858 119.950 -0.524 0.000 2.000 468 F HA -0.215 4.312 4.527 0.000 0.000 0.296 468 F C 1.945 177.421 175.800 -0.540 0.000 1.159 468 F CA 2.067 59.460 58.000 -1.010 0.000 1.183 468 F CB -1.049 37.169 39.000 -1.304 0.000 0.959 468 F HN 0.204 nan 8.300 nan 0.000 0.490 469 L N 0.855 121.717 121.223 -0.603 0.000 2.011 469 L HA -0.353 3.986 4.340 -0.000 0.000 0.225 469 L C 2.467 179.099 176.870 -0.396 0.000 1.084 469 L CA 2.727 57.243 54.840 -0.540 0.000 0.791 469 L CB -1.405 40.503 42.059 -0.252 0.000 0.898 469 L HN 0.352 nan 8.230 nan 0.000 0.440 470 S N -1.915 113.655 115.700 -0.217 0.000 2.440 470 S HA -0.277 4.193 4.470 -0.000 0.000 0.240 470 S C 1.764 176.321 174.600 -0.073 0.000 1.014 470 S CA 1.359 59.496 58.200 -0.105 0.000 0.980 470 S CB -0.781 62.408 63.200 -0.019 0.000 0.775 470 S HN 0.766 nan 8.310 nan 0.000 0.499 471 H N 1.932 120.842 119.070 -0.267 0.000 2.306 471 H HA 0.043 4.599 4.556 -0.000 0.000 0.307 471 H C 2.156 177.360 175.328 -0.207 0.000 1.061 471 H CA 1.801 57.733 56.048 -0.192 0.000 1.359 471 H CB -0.735 28.855 29.762 -0.288 0.000 1.407 471 H HN 0.164 nan 8.280 nan 0.000 0.517 472 V N -0.067 119.440 119.914 -0.680 0.000 2.252 472 V HA -0.232 3.888 4.120 -0.000 0.000 0.249 472 V C 2.426 178.325 176.094 -0.326 0.000 1.056 472 V CA 2.299 64.235 62.300 -0.607 0.000 1.022 472 V CB -1.100 30.271 31.823 -0.753 0.000 0.641 472 V HN 0.453 nan 8.190 nan 0.000 0.445 473 I N 0.858 121.254 120.570 -0.291 0.000 2.567 473 I HA -0.181 3.989 4.170 -0.000 0.000 0.257 473 I C 2.698 178.736 176.117 -0.132 0.000 1.184 473 I CA 1.767 62.959 61.300 -0.180 0.000 1.451 473 I CB -0.286 37.621 38.000 -0.155 0.000 1.089 473 I HN 0.594 nan 8.210 nan 0.000 0.441 474 S N 0.306 115.928 115.700 -0.130 0.000 2.338 474 S HA -0.108 4.362 4.470 -0.000 0.000 0.197 474 S C 1.897 176.432 174.600 -0.109 0.000 0.990 474 S CA 0.629 58.781 58.200 -0.079 0.000 0.920 474 S CB -0.119 63.074 63.200 -0.011 0.000 0.903 474 S HN 0.332 nan 8.310 nan 0.000 0.542 475 Q N -0.460 119.252 119.800 -0.147 0.000 2.119 475 Q HA -0.036 4.304 4.340 -0.000 0.000 0.201 475 Q C 0.191 175.912 176.000 -0.465 0.000 0.972 475 Q CA 1.251 56.889 55.803 -0.274 0.000 0.847 475 Q CB -0.020 28.551 28.738 -0.277 0.000 0.903 475 Q HN 0.702 nan 8.270 nan 0.000 0.433 476 H N -0.019 118.887 119.070 -0.273 0.000 2.452 476 H HA 0.065 4.621 4.556 -0.000 0.000 0.240 476 H C 0.863 176.088 175.328 -0.171 0.000 1.498 476 H CA -0.219 55.702 56.048 -0.212 0.000 1.142 476 H CB 0.050 29.658 29.762 -0.256 0.000 1.599 476 H HN 0.287 nan 8.280 nan 0.000 0.527 477 Q N 0.106 119.857 119.800 -0.081 0.000 2.096 477 Q HA -0.175 4.165 4.340 -0.000 0.000 0.204 477 Q C 2.064 178.033 176.000 -0.051 0.000 0.982 477 Q CA 1.518 57.279 55.803 -0.070 0.000 0.850 477 Q CB -0.136 28.561 28.738 -0.070 0.000 0.901 477 Q HN 0.471 nan 8.270 nan 0.000 0.422 478 A N 2.050 124.844 122.820 -0.044 0.000 1.902 478 A HA -0.117 4.203 4.320 -0.000 0.000 0.217 478 A C 2.143 179.713 177.584 -0.023 0.000 1.181 478 A CA 1.197 53.215 52.037 -0.032 0.000 0.623 478 A CB -0.801 18.181 19.000 -0.030 0.000 0.818 478 A HN 0.481 nan 8.150 nan 0.000 0.443 479 L N -0.259 120.960 121.223 -0.007 0.000 1.956 479 L HA -0.220 4.120 4.340 -0.000 0.000 0.216 479 L C 2.542 179.385 176.870 -0.045 0.000 1.073 479 L CA 2.130 56.960 54.840 -0.018 0.000 0.762 479 L CB -0.525 41.528 42.059 -0.012 0.000 0.889 479 L HN 0.457 nan 8.230 nan 0.000 0.433 480 L N -0.190 120.998 121.223 -0.059 0.000 2.013 480 L HA -0.201 4.139 4.340 -0.000 0.000 0.212 480 L C 2.658 179.499 176.870 -0.048 0.000 1.073 480 L CA 1.400 56.200 54.840 -0.065 0.000 0.753 480 L CB -1.431 40.580 42.059 -0.079 0.000 0.890 480 L HN 0.461 nan 8.230 nan 0.000 0.432 481 G N -0.119 108.656 108.800 -0.042 0.000 2.562 481 G HA2 -0.347 3.613 3.960 -0.000 0.000 0.223 481 G HA3 -0.347 3.613 3.960 -0.000 0.000 0.223 481 G C 1.594 176.476 174.900 -0.030 0.000 1.102 481 G CA 1.429 46.508 45.100 -0.033 0.000 0.742 481 G HN 0.353 nan 8.290 nan 0.000 0.587 482 K N -0.003 120.378 120.400 -0.032 0.000 2.079 482 K HA 0.198 4.518 4.320 -0.000 0.000 0.214 482 K C 2.355 178.935 176.600 -0.033 0.000 1.024 482 K CA 0.410 56.679 56.287 -0.030 0.000 0.948 482 K CB -0.363 32.119 32.500 -0.030 0.000 0.830 482 K HN 0.119 nan 8.250 nan 0.000 0.452 483 I N 1.504 122.049 120.570 -0.042 0.000 2.403 483 I HA -0.510 3.660 4.170 -0.000 0.000 0.246 483 I C 2.668 178.765 176.117 -0.034 0.000 0.968 483 I CA 2.111 63.385 61.300 -0.044 0.000 1.295 483 I CB -0.585 37.382 38.000 -0.056 0.000 0.986 483 I HN 0.418 nan 8.210 nan 0.000 0.428 484 R N 0.744 121.227 120.500 -0.029 0.000 2.070 484 R HA -0.153 4.187 4.340 -0.000 0.000 0.227 484 R C 2.300 178.585 176.300 -0.024 0.000 1.147 484 R CA 2.387 58.473 56.100 -0.022 0.000 0.924 484 R CB -0.608 29.683 30.300 -0.015 0.000 0.827 484 R HN 0.281 nan 8.270 nan 0.000 0.431 485 T N 1.036 115.576 114.554 -0.023 0.000 2.718 485 T HA -0.166 4.184 4.350 -0.000 0.000 0.266 485 T C 0.581 175.267 174.700 -0.023 0.000 1.033 485 T CA 2.001 64.088 62.100 -0.022 0.000 1.151 485 T CB -0.256 68.600 68.868 -0.020 0.000 0.853 485 T HN 0.463 nan 8.240 nan 0.000 0.466 486 D N -0.559 119.827 120.400 -0.024 0.000 2.433 486 D HA 0.287 4.927 4.640 -0.000 0.000 0.211 486 D C 1.525 177.810 176.300 -0.025 0.000 1.114 486 D CA 0.427 54.413 54.000 -0.023 0.000 0.837 486 D CB -0.328 40.459 40.800 -0.022 0.000 0.984 486 D HN 0.396 nan 8.370 nan 0.000 0.505 487 G N 1.550 110.334 108.800 -0.028 0.000 2.393 487 G HA2 -0.350 3.610 3.960 -0.000 0.000 0.304 487 G HA3 -0.350 3.610 3.960 -0.000 0.000 0.304 487 G C 0.440 175.325 174.900 -0.026 0.000 0.977 487 G CA 1.099 46.181 45.100 -0.029 0.000 0.803 487 G HN 0.372 nan 8.290 nan 0.000 0.511 488 K N -0.859 119.526 120.400 -0.026 0.000 2.502 488 K HA 0.591 4.911 4.320 -0.000 0.000 0.257 488 K C -0.404 176.177 176.600 -0.031 0.000 0.938 488 K CA -1.198 55.075 56.287 -0.023 0.000 0.819 488 K CB 1.259 33.748 32.500 -0.018 0.000 1.333 488 K HN 0.012 nan 8.250 nan 0.000 0.434 489 I N 3.832 124.384 120.570 -0.031 0.000 2.269 489 I HA 0.044 4.214 4.170 -0.000 0.000 0.293 489 I C 0.555 176.654 176.117 -0.030 0.000 1.106 489 I CA -0.150 61.120 61.300 -0.049 0.000 1.248 489 I CB 0.914 38.880 38.000 -0.056 0.000 1.444 489 I HN 0.588 nan 8.210 nan 0.000 0.497 490 S N 3.694 119.376 115.700 -0.031 0.000 2.634 490 S HA 0.209 4.679 4.470 -0.000 0.000 0.261 490 S C 1.065 175.659 174.600 -0.010 0.000 1.271 490 S CA -0.591 57.600 58.200 -0.016 0.000 0.985 490 S CB 1.322 64.513 63.200 -0.015 0.000 0.968 490 S HN 0.549 nan 8.310 nan 0.000 0.568 491 E N 0.976 121.178 120.200 0.003 0.000 2.049 491 E HA -0.200 4.150 4.350 -0.000 0.000 0.198 491 E C 1.851 178.458 176.600 0.013 0.000 1.007 491 E CA 1.898 58.307 56.400 0.015 0.000 0.809 491 E CB -0.413 29.296 29.700 0.016 0.000 0.749 491 E HN 0.888 nan 8.360 nan 0.000 0.450 492 E N 0.061 120.264 120.200 0.005 0.000 2.265 492 E HA -0.138 4.212 4.350 -0.000 0.000 0.196 492 E C 1.428 178.023 176.600 -0.007 0.000 0.996 492 E CA 1.114 57.517 56.400 0.005 0.000 0.832 492 E CB 0.054 29.756 29.700 0.003 0.000 0.756 492 E HN 0.114 nan 8.360 nan 0.000 0.491 493 S N 0.292 115.975 115.700 -0.029 0.000 2.458 493 S HA -0.077 4.393 4.470 -0.000 0.000 0.223 493 S C 1.345 175.872 174.600 -0.122 0.000 1.019 493 S CA 0.546 58.704 58.200 -0.071 0.000 0.937 493 S CB 0.067 63.217 63.200 -0.083 0.000 0.788 493 S HN 0.332 nan 8.310 nan 0.000 0.511 494 D N 1.705 122.066 120.400 -0.065 0.000 2.269 494 D HA 0.085 4.725 4.640 -0.000 0.000 0.208 494 D C 1.778 178.134 176.300 0.094 0.000 0.963 494 D CA 0.872 54.860 54.000 -0.020 0.000 0.864 494 D CB 0.043 40.892 40.800 0.082 0.000 0.936 494 D HN 0.351 nan 8.370 nan 0.000 0.505 495 A N 0.481 123.337 122.820 0.060 0.000 1.861 495 A HA -0.037 4.283 4.320 -0.000 0.000 0.212 495 A C 2.141 179.769 177.584 0.073 0.000 1.199 495 A CA 1.193 53.280 52.037 0.083 0.000 0.613 495 A CB -0.338 18.695 19.000 0.055 0.000 0.846 495 A HN 0.072 nan 8.150 nan 0.000 0.446 496 K N -0.029 120.391 120.400 0.032 0.000 2.360 496 K HA 0.088 4.408 4.320 -0.000 0.000 0.201 496 K C 1.473 178.089 176.600 0.026 0.000 1.046 496 K CA 0.912 57.217 56.287 0.029 0.000 0.945 496 K CB -0.411 32.097 32.500 0.012 0.000 0.750 496 K HN 0.510 nan 8.250 nan 0.000 0.464 497 L N -0.479 120.753 121.223 0.015 0.000 2.253 497 L HA 0.052 4.392 4.340 -0.000 0.000 0.205 497 L C 2.305 179.409 176.870 0.390 0.000 1.078 497 L CA 0.649 55.533 54.840 0.073 0.000 0.805 497 L CB -0.261 41.531 42.059 -0.444 0.000 0.963 497 L HN 0.147 nan 8.230 nan 0.000 0.459 498 K N 0.761 121.410 120.400 0.414 0.000 2.155 498 K HA -0.221 4.098 4.320 -0.000 0.000 0.203 498 K C 1.883 178.526 176.600 0.071 0.000 1.052 498 K CA 1.284 57.756 56.287 0.309 0.000 0.948 498 K CB 0.186 32.831 32.500 0.241 0.000 0.728 498 K HN 0.218 nan 8.250 nan 0.000 0.448 499 E N 0.693 120.953 120.200 0.099 0.000 2.051 499 E HA -0.176 4.174 4.350 -0.000 0.000 0.192 499 E C 1.920 178.587 176.600 0.112 0.000 0.991 499 E CA 1.480 57.923 56.400 0.072 0.000 0.799 499 E CB -0.023 29.725 29.700 0.080 0.000 0.748 499 E HN 0.351 nan 8.360 nan 0.000 0.449 500 I N 0.662 121.326 120.570 0.158 0.000 2.193 500 I HA -0.212 3.958 4.170 -0.000 0.000 0.240 500 I C 2.659 178.953 176.117 0.294 0.000 1.084 500 I CA 1.053 62.498 61.300 0.243 0.000 1.365 500 I CB -0.533 37.597 38.000 0.218 0.000 1.064 500 I HN 0.183 nan 8.210 nan 0.000 0.410 501 V N 0.234 120.281 119.914 0.221 0.000 2.255 501 V HA -0.302 3.818 4.120 -0.000 0.000 0.247 501 V C 2.611 178.763 176.094 0.096 0.000 1.051 501 V CA 2.663 65.036 62.300 0.122 0.000 1.018 501 V CB -1.830 30.035 31.823 0.069 0.000 0.641 501 V HN 0.637 nan 8.190 nan 0.000 0.445 502 T N -1.254 113.290 114.554 -0.017 0.000 2.759 502 T HA -0.230 4.120 4.350 -0.000 0.000 0.269 502 T C 1.823 176.518 174.700 -0.008 0.000 1.042 502 T CA 2.075 64.117 62.100 -0.097 0.000 1.140 502 T CB -0.848 67.872 68.868 -0.248 0.000 0.864 502 T HN 0.614 nan 8.240 nan 0.000 0.455 503 N N 0.216 118.955 118.700 0.065 0.000 2.220 503 N HA 0.107 4.847 4.740 -0.000 0.000 0.182 503 N C 1.546 177.138 175.510 0.136 0.000 1.023 503 N CA 0.789 53.888 53.050 0.081 0.000 0.856 503 N CB -0.534 38.010 38.487 0.096 0.000 0.997 503 N HN 0.415 nan 8.380 nan 0.000 0.429 504 F N 2.817 122.827 119.950 0.100 0.000 2.095 504 F HA -0.123 4.404 4.527 -0.000 0.000 0.298 504 F C 2.313 178.214 175.800 0.168 0.000 1.104 504 F CA 0.982 59.079 58.000 0.162 0.000 1.232 504 F CB -0.278 38.898 39.000 0.292 0.000 0.987 504 F HN -0.043 nan 8.300 nan 0.000 0.475 505 L N 0.309 121.699 121.223 0.279 0.000 2.013 505 L HA -0.246 4.094 4.340 -0.000 0.000 0.212 505 L C 2.433 179.327 176.870 0.041 0.000 1.073 505 L CA 2.297 57.136 54.840 -0.001 0.000 0.753 505 L CB -1.483 40.444 42.059 -0.221 0.000 0.890 505 L HN 0.311 nan 8.230 nan 0.000 0.432 506 A N -0.186 122.642 122.820 0.013 0.000 1.877 506 A HA -0.136 4.184 4.320 -0.000 0.000 0.216 506 A C 2.345 179.924 177.584 -0.008 0.000 1.186 506 A CA 1.616 53.650 52.037 -0.006 0.000 0.620 506 A CB -1.358 17.631 19.000 -0.018 0.000 0.822 506 A HN 0.542 nan 8.150 nan 0.000 0.443 507 G N -1.828 106.956 108.800 -0.027 0.000 2.448 507 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.219 507 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.219 507 G C 1.367 176.237 174.900 -0.050 0.000 1.127 507 G CA 1.097 46.153 45.100 -0.074 0.000 0.766 507 G HN 0.452 nan 8.290 nan 0.000 0.552 508 F N 1.281 121.124 119.950 -0.178 0.000 2.206 508 F HA 0.138 4.665 4.527 -0.000 0.000 0.298 508 F C 2.323 178.081 175.800 -0.070 0.000 1.090 508 F CA 1.053 58.987 58.000 -0.110 0.000 1.323 508 F CB 0.190 39.187 39.000 -0.005 0.000 1.028 508 F HN 0.234 nan 8.300 nan 0.000 0.492 509 E N 0.718 120.908 120.200 -0.017 0.000 2.437 509 E HA 0.235 4.585 4.350 -0.000 0.000 0.189 509 E C 1.052 177.592 176.600 -0.100 0.000 1.054 509 E CA 0.068 56.414 56.400 -0.090 0.000 0.874 509 E CB -0.142 29.538 29.700 -0.033 0.000 1.011 509 E HN 0.336 nan 8.360 nan 0.000 0.474 510 A N 0.000 122.757 122.820 -0.104 0.000 2.254 510 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 510 A CA 0.000 51.985 52.037 -0.087 0.000 0.836 510 A CB 0.000 18.943 19.000 -0.095 0.000 0.831 510 A HN 0.000 nan 8.150 nan 0.000 0.486