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 1e79_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 EVAAFAQFGS 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 2.433 122.835 120.400 0.003 0.000 2.411 20 D HA 0.407 5.047 4.640 0.000 0.000 0.225 20 D C 0.533 176.835 176.300 0.003 0.000 1.156 20 D CA 1.078 55.080 54.000 0.003 0.000 0.874 20 D CB 0.813 41.614 40.800 0.003 0.000 1.034 20 D HN 0.287 nan 8.370 nan 0.000 0.502 21 T N -0.176 114.379 114.554 0.002 0.000 3.268 21 T HA 0.131 4.481 4.350 0.000 0.000 0.258 21 T C 1.146 175.846 174.700 0.000 0.000 0.966 21 T CA -0.359 61.742 62.100 0.001 0.000 0.952 21 T CB -0.250 68.618 68.868 0.001 0.000 1.132 21 T HN 0.155 nan 8.240 nan 0.000 0.536 22 S N -0.262 115.439 115.700 0.001 0.000 2.535 22 S HA 0.199 4.669 4.470 0.000 0.000 0.214 22 S C 0.756 175.355 174.600 -0.001 0.000 0.980 22 S CA -0.254 57.946 58.200 -0.001 0.000 0.907 22 S CB 0.075 63.275 63.200 0.000 0.000 0.790 22 S HN 0.336 nan 8.310 nan 0.000 0.510 23 V N 4.029 123.944 119.914 0.001 0.000 2.727 23 V HA 0.210 4.331 4.120 0.000 0.000 0.336 23 V C -0.088 176.009 176.094 0.006 0.000 1.228 23 V CA -0.737 61.565 62.300 0.003 0.000 1.270 23 V CB -0.141 31.686 31.823 0.006 0.000 1.486 23 V HN 0.612 nan 8.190 nan 0.000 0.638 24 D N 0.248 120.648 120.400 0.001 0.000 2.371 24 D HA 0.073 4.713 4.640 0.000 0.000 0.242 24 D C 0.654 176.952 176.300 -0.003 0.000 1.218 24 D CA -0.411 53.590 54.000 0.001 0.000 0.945 24 D CB 2.030 42.828 40.800 -0.004 0.000 1.137 24 D HN 0.250 nan 8.370 nan 0.000 0.464 25 L N 0.127 121.347 121.223 -0.006 0.000 2.728 25 L HA 0.091 4.431 4.340 0.000 0.000 0.235 25 L C 1.667 178.509 176.870 -0.047 0.000 1.197 25 L CA -0.087 54.738 54.840 -0.025 0.000 0.992 25 L CB -0.195 41.848 42.059 -0.026 0.000 1.263 25 L HN 0.383 nan 8.230 nan 0.000 0.484 26 E N -0.158 120.022 120.200 -0.034 0.000 2.206 26 E HA 0.001 4.352 4.350 0.000 0.000 0.195 26 E C 0.943 177.522 176.600 -0.035 0.000 0.935 26 E CA 0.389 56.767 56.400 -0.036 0.000 0.875 26 E CB 0.436 30.121 29.700 -0.026 0.000 0.841 26 E HN 0.353 nan 8.360 nan 0.000 0.477 27 E N 0.903 121.085 120.200 -0.030 0.000 2.481 27 E HA 0.060 4.410 4.350 0.000 0.000 0.198 27 E C 0.710 177.287 176.600 -0.038 0.000 1.027 27 E CA 0.412 56.794 56.400 -0.030 0.000 0.900 27 E CB 1.049 30.735 29.700 -0.022 0.000 0.993 27 E HN 0.236 nan 8.360 nan 0.000 0.482 28 T N -2.701 111.830 114.554 -0.039 0.000 2.841 28 T HA 0.783 5.133 4.350 0.000 0.000 0.296 28 T C 0.173 174.847 174.700 -0.044 0.000 1.166 28 T CA -0.550 61.523 62.100 -0.045 0.000 1.007 28 T CB 2.512 71.362 68.868 -0.029 0.000 1.253 28 T HN 0.000 nan 8.240 nan 0.000 0.511 29 G N 0.150 108.922 108.800 -0.047 0.000 2.687 29 G HA2 0.731 4.691 3.960 0.000 0.000 0.291 29 G HA3 0.731 4.691 3.960 0.000 0.000 0.291 29 G C -1.739 173.164 174.900 0.005 0.000 1.420 29 G CA -1.262 43.827 45.100 -0.019 0.000 0.796 29 G HN 0.983 nan 8.290 nan 0.000 0.485 30 R N -1.191 119.346 120.500 0.062 0.000 2.686 30 R HA 0.681 5.021 4.340 0.000 0.000 0.283 30 R C -1.087 175.259 176.300 0.078 0.000 0.978 30 R CA -0.820 55.315 56.100 0.058 0.000 0.897 30 R CB 1.531 31.864 30.300 0.056 0.000 1.192 30 R HN 0.380 nan 8.270 nan 0.000 0.457 31 V N 4.817 124.781 119.914 0.083 0.000 2.493 31 V HA -0.014 4.106 4.120 0.000 0.000 0.292 31 V C 1.266 177.404 176.094 0.073 0.000 1.016 31 V CA 0.240 62.606 62.300 0.109 0.000 1.097 31 V CB 0.263 32.178 31.823 0.153 0.000 0.947 31 V HN 0.738 nan 8.190 nan 0.000 0.479 32 L N 4.010 125.276 121.223 0.072 0.000 2.127 32 L HA 0.103 4.443 4.340 0.000 0.000 0.203 32 L C 0.989 177.878 176.870 0.032 0.000 1.080 32 L CA 1.108 55.974 54.840 0.045 0.000 0.768 32 L CB 0.188 42.280 42.059 0.055 0.000 0.924 32 L HN 0.867 nan 8.230 nan 0.000 0.444 33 S N -1.495 114.228 115.700 0.040 0.000 2.565 33 S HA 0.549 5.020 4.470 0.000 0.000 0.269 33 S C -1.212 173.404 174.600 0.027 0.000 1.153 33 S CA -0.771 57.444 58.200 0.025 0.000 0.835 33 S CB 2.625 65.833 63.200 0.013 0.000 1.122 33 S HN -0.030 nan 8.310 nan 0.000 0.462 34 I N 0.910 121.484 120.570 0.007 0.000 2.644 34 I HA 0.772 4.942 4.170 0.000 0.000 0.291 34 I C -0.748 175.352 176.117 -0.027 0.000 1.180 34 I CA 0.156 61.449 61.300 -0.012 0.000 1.040 34 I CB 1.290 39.277 38.000 -0.021 0.000 1.255 34 I HN 1.307 nan 8.210 nan 0.000 0.422 35 G N 5.651 114.429 108.800 -0.037 0.000 2.717 35 G HA2 0.396 4.356 3.960 0.000 0.000 0.300 35 G HA3 0.396 4.356 3.960 0.000 0.000 0.300 35 G C -1.140 173.733 174.900 -0.045 0.000 1.424 35 G CA -0.515 44.563 45.100 -0.038 0.000 1.033 35 G HN 0.616 nan 8.290 nan 0.000 0.577 36 D N 0.489 120.861 120.400 -0.046 0.000 2.699 36 D HA -0.180 4.460 4.640 0.000 0.000 0.239 36 D C 1.610 177.875 176.300 -0.060 0.000 1.136 36 D CA 2.556 56.528 54.000 -0.046 0.000 0.668 36 D CB -1.072 39.704 40.800 -0.040 0.000 1.060 36 D HN 2.179 nan 8.370 nan 0.000 0.429 37 G N -0.730 108.024 108.800 -0.076 0.000 2.175 37 G HA2 -0.314 3.646 3.960 0.000 0.000 0.265 37 G HA3 -0.314 3.646 3.960 0.000 0.000 0.265 37 G C 0.270 175.105 174.900 -0.108 0.000 0.979 37 G CA 0.468 45.508 45.100 -0.100 0.000 0.663 37 G HN 0.508 nan 8.290 nan 0.000 0.533 38 I N 0.925 121.446 120.570 -0.082 0.000 2.355 38 I HA 0.688 4.858 4.170 0.000 0.000 0.288 38 I C 0.479 176.578 176.117 -0.031 0.000 0.999 38 I CA -1.246 60.018 61.300 -0.060 0.000 1.163 38 I CB 1.015 38.986 38.000 -0.048 0.000 1.316 38 I HN 0.305 nan 8.210 nan 0.000 0.454 39 A N 7.709 130.537 122.820 0.013 0.000 2.304 39 A HA 0.728 5.048 4.320 0.000 0.000 0.323 39 A C -0.078 177.559 177.584 0.088 0.000 1.195 39 A CA -0.748 51.339 52.037 0.084 0.000 0.826 39 A CB 0.971 20.118 19.000 0.244 0.000 1.184 39 A HN 0.554 nan 8.150 nan 0.000 0.496 40 R N 1.910 122.451 120.500 0.069 0.000 2.207 40 R HA 0.457 4.798 4.340 0.000 0.000 0.334 40 R C -1.032 175.312 176.300 0.073 0.000 1.013 40 R CA -0.279 55.854 56.100 0.055 0.000 0.858 40 R CB 1.114 31.437 30.300 0.038 0.000 1.094 40 R HN 0.467 nan 8.270 nan 0.000 0.457 41 V N 3.216 123.166 119.914 0.060 0.000 2.459 41 V HA 0.197 4.318 4.120 0.000 0.000 0.295 41 V C -0.014 176.119 176.094 0.064 0.000 1.029 41 V CA -0.989 61.346 62.300 0.058 0.000 0.874 41 V CB 1.574 33.400 31.823 0.005 0.000 0.985 41 V HN 0.692 nan 8.190 nan 0.000 0.438 42 H N 2.842 121.909 119.070 -0.006 0.000 2.527 42 H HA 0.656 5.212 4.556 0.000 0.000 0.321 42 H C 0.554 175.871 175.328 -0.017 0.000 1.087 42 H CA 1.339 57.382 56.048 -0.009 0.000 1.337 42 H CB 1.015 30.775 29.762 -0.004 0.000 1.440 42 H HN 1.081 nan 8.280 nan 0.000 0.490 43 G N 3.141 111.644 108.800 -0.495 0.000 2.578 43 G HA2 -0.242 3.719 3.960 0.000 0.000 0.232 43 G HA3 -0.242 3.719 3.960 0.000 0.000 0.232 43 G C 0.045 174.849 174.900 -0.160 0.000 1.176 43 G CA -0.386 44.530 45.100 -0.307 0.000 0.968 43 G HN 1.162 nan 8.290 nan 0.000 0.583 44 L N -0.041 121.121 121.223 -0.101 0.000 3.781 44 L HA -0.233 4.107 4.340 0.000 0.000 0.426 44 L C 2.367 179.193 176.870 -0.073 0.000 1.197 44 L CA 0.836 55.629 54.840 -0.078 0.000 0.907 44 L CB -0.739 41.274 42.059 -0.077 0.000 1.812 44 L HN 0.628 nan 8.230 nan 0.000 0.956 45 R N 0.268 120.721 120.500 -0.079 0.000 2.139 45 R HA -0.124 4.216 4.340 0.000 0.000 0.243 45 R C 1.363 177.636 176.300 -0.045 0.000 1.145 45 R CA 1.687 57.747 56.100 -0.067 0.000 0.976 45 R CB -0.313 29.948 30.300 -0.065 0.000 0.866 45 R HN 0.574 nan 8.270 nan 0.000 0.449 46 N N -0.029 118.647 118.700 -0.039 0.000 2.322 46 N HA -0.001 4.739 4.740 0.000 0.000 0.194 46 N C -0.010 175.486 175.510 -0.025 0.000 1.126 46 N CA -0.026 53.007 53.050 -0.028 0.000 0.845 46 N CB 0.371 38.843 38.487 -0.023 0.000 0.976 46 N HN -0.085 nan 8.380 nan 0.000 0.475 47 V N 1.220 121.116 119.914 -0.030 0.000 2.843 47 V HA 0.007 4.127 4.120 0.000 0.000 0.305 47 V C 0.223 176.307 176.094 -0.015 0.000 1.065 47 V CA -0.039 62.246 62.300 -0.025 0.000 1.116 47 V CB 0.954 32.757 31.823 -0.034 0.000 0.968 47 V HN 0.239 nan 8.190 nan 0.000 0.487 48 Q N 3.431 123.227 119.800 -0.007 0.000 2.227 48 Q HA 0.641 4.981 4.340 0.000 0.000 0.245 48 Q C -0.029 175.974 176.000 0.006 0.000 0.926 48 Q CA -0.407 55.396 55.803 0.000 0.000 0.895 48 Q CB 1.469 30.210 28.738 0.005 0.000 1.230 48 Q HN 0.956 nan 8.270 nan 0.000 0.450 49 A N 2.076 124.901 122.820 0.009 0.000 2.524 49 A HA 0.064 4.384 4.320 0.000 0.000 0.250 49 A C 0.046 177.644 177.584 0.023 0.000 1.078 49 A CA 0.295 52.341 52.037 0.015 0.000 0.761 49 A CB -0.249 18.762 19.000 0.017 0.000 1.012 49 A HN 0.964 nan 8.150 nan 0.000 0.500 50 E N -0.405 119.814 120.200 0.032 0.000 3.547 50 E HA -0.185 4.165 4.350 0.000 0.000 0.309 50 E C 0.081 176.714 176.600 0.055 0.000 0.855 50 E CA 1.134 57.563 56.400 0.048 0.000 1.122 50 E CB -1.406 28.318 29.700 0.039 0.000 1.569 50 E HN 0.935 nan 8.360 nan 0.000 0.429 51 E N 0.862 121.088 120.200 0.042 0.000 2.301 51 E HA 0.339 4.689 4.350 0.000 0.000 0.275 51 E C -0.065 176.573 176.600 0.064 0.000 1.030 51 E CA -0.484 55.941 56.400 0.042 0.000 0.852 51 E CB 0.791 30.503 29.700 0.019 0.000 1.060 51 E HN 0.106 nan 8.360 nan 0.000 0.401 52 M N 5.208 124.855 119.600 0.080 0.000 2.228 52 M HA 0.181 4.661 4.480 0.000 0.000 0.351 52 M C -1.051 175.286 176.300 0.061 0.000 1.233 52 M CA -0.165 55.203 55.300 0.114 0.000 1.129 52 M CB 0.795 33.466 32.600 0.118 0.000 1.604 52 M HN 0.354 nan 8.290 nan 0.000 0.457 53 V N 1.450 121.398 119.914 0.056 0.000 3.126 53 V HA 0.774 4.894 4.120 0.000 0.000 0.314 53 V C -1.051 175.033 176.094 -0.017 0.000 1.138 53 V CA -0.874 61.408 62.300 -0.031 0.000 1.034 53 V CB 2.151 33.896 31.823 -0.130 0.000 1.075 53 V HN 0.876 nan 8.190 nan 0.000 0.442 54 E N 0.604 120.741 120.200 -0.106 0.000 2.272 54 E HA 0.588 4.939 4.350 0.000 0.000 0.269 54 E C -1.850 174.664 176.600 -0.143 0.000 0.877 54 E CA -0.440 55.951 56.400 -0.016 0.000 0.755 54 E CB 2.548 32.267 29.700 0.031 0.000 1.192 54 E HN 0.600 nan 8.360 nan 0.000 0.422 55 F N 0.939 120.908 119.950 0.031 0.000 2.377 55 F HA 0.080 4.607 4.527 0.000 0.000 0.328 55 F C 1.846 177.659 175.800 0.023 0.000 1.094 55 F CA -0.254 57.760 58.000 0.023 0.000 1.093 55 F CB 1.275 40.287 39.000 0.020 0.000 1.214 55 F HN 0.490 nan 8.300 nan 0.000 0.518 56 S N -0.397 115.411 115.700 0.180 0.000 2.413 56 S HA -0.266 4.204 4.470 0.000 0.000 0.237 56 S C 1.719 176.384 174.600 0.108 0.000 1.044 56 S CA 1.778 60.043 58.200 0.108 0.000 1.024 56 S CB -0.818 62.436 63.200 0.090 0.000 0.829 56 S HN 0.632 nan 8.310 nan 0.000 0.475 57 S N 0.878 116.661 115.700 0.139 0.000 2.547 57 S HA 0.352 4.822 4.470 0.000 0.000 0.235 57 S C 1.755 176.410 174.600 0.091 0.000 0.980 57 S CA 0.559 58.817 58.200 0.097 0.000 0.941 57 S CB -0.454 62.792 63.200 0.076 0.000 0.763 57 S HN 1.054 nan 8.310 nan 0.000 0.532 58 G N 0.352 109.220 108.800 0.113 0.000 2.213 58 G HA2 -0.227 3.733 3.960 0.000 0.000 0.236 58 G HA3 -0.227 3.733 3.960 0.000 0.000 0.236 58 G C -0.070 174.903 174.900 0.122 0.000 0.991 58 G CA -0.068 45.089 45.100 0.096 0.000 0.629 58 G HN 0.409 nan 8.290 nan 0.000 0.517 59 L N 1.818 123.132 121.223 0.152 0.000 2.416 59 L HA 0.541 4.881 4.340 0.000 0.000 0.272 59 L C 0.774 177.821 176.870 0.294 0.000 1.161 59 L CA 0.135 55.075 54.840 0.166 0.000 0.845 59 L CB 0.649 42.747 42.059 0.065 0.000 1.119 59 L HN 0.236 nan 8.230 nan 0.000 0.464 60 K N 2.445 123.013 120.400 0.280 0.000 2.095 60 K HA 0.815 5.135 4.320 0.000 0.000 0.252 60 K C -0.220 176.626 176.600 0.411 0.000 0.977 60 K CA -0.666 55.832 56.287 0.351 0.000 0.900 60 K CB 1.581 34.268 32.500 0.311 0.000 1.060 60 K HN 0.786 nan 8.250 nan 0.000 0.449 61 G N 0.564 109.592 108.800 0.379 0.000 2.660 61 G HA2 0.541 4.501 3.960 0.000 0.000 0.290 61 G HA3 0.541 4.501 3.960 0.000 0.000 0.290 61 G C -1.835 173.128 174.900 0.106 0.000 1.432 61 G CA -0.745 44.458 45.100 0.172 0.000 0.807 61 G HN 0.506 nan 8.290 nan 0.000 0.485 62 M N 0.918 120.466 119.600 -0.086 0.000 2.326 62 M HA 0.561 5.041 4.480 0.000 0.000 0.306 62 M C -0.680 175.616 176.300 -0.007 0.000 1.054 62 M CA -0.580 54.734 55.300 0.024 0.000 0.922 62 M CB 1.941 34.594 32.600 0.088 0.000 1.632 62 M HN 0.357 nan 8.290 nan 0.000 0.436 63 S N 5.060 120.772 115.700 0.019 0.000 2.414 63 S HA 0.197 4.667 4.470 0.000 0.000 0.290 63 S C 0.454 175.059 174.600 0.009 0.000 1.160 63 S CA -0.570 57.633 58.200 0.005 0.000 1.069 63 S CB 0.516 63.717 63.200 0.002 0.000 1.012 63 S HN 0.631 nan 8.310 nan 0.000 0.510 64 L N 3.040 124.260 121.223 -0.004 0.000 2.445 64 L HA 0.359 4.699 4.340 0.000 0.000 0.207 64 L C 0.238 177.112 176.870 0.006 0.000 1.053 64 L CA 1.026 55.867 54.840 0.003 0.000 0.841 64 L CB -0.400 41.649 42.059 -0.016 0.000 1.074 64 L HN 0.359 nan 8.230 nan 0.000 0.479 65 N N 0.395 119.093 118.700 -0.003 0.000 2.457 65 N HA 0.377 5.117 4.740 0.000 0.000 0.250 65 N C -0.997 174.512 175.510 -0.002 0.000 0.982 65 N CA 0.047 53.097 53.050 -0.000 0.000 0.941 65 N CB 0.900 39.384 38.487 -0.005 0.000 1.120 65 N HN -0.037 nan 8.380 nan 0.000 0.505 66 L N 2.434 123.657 121.223 -0.001 0.000 2.287 66 L HA 0.367 4.707 4.340 0.000 0.000 0.280 66 L C 0.268 177.134 176.870 -0.006 0.000 1.055 66 L CA -0.309 54.527 54.840 -0.006 0.000 0.863 66 L CB 0.327 42.382 42.059 -0.006 0.000 1.245 66 L HN 0.387 nan 8.230 nan 0.000 0.432 67 E N 3.290 123.485 120.200 -0.008 0.000 2.222 67 E HA 0.295 4.645 4.350 0.000 0.000 0.267 67 E C -1.622 174.970 176.600 -0.012 0.000 0.963 67 E CA -1.816 54.580 56.400 -0.007 0.000 0.837 67 E CB 1.506 31.204 29.700 -0.002 0.000 1.183 67 E HN 0.249 nan 8.360 nan 0.000 0.403 68 P HA -0.197 nan 4.420 nan 0.000 0.216 68 P C 0.459 177.750 177.300 -0.016 0.000 1.150 68 P CA 1.407 64.500 63.100 -0.012 0.000 0.843 68 P CB 0.165 31.861 31.700 -0.005 0.000 0.787 69 D N -2.102 118.295 120.400 -0.005 0.000 2.441 69 D HA 0.043 4.684 4.640 0.000 0.000 0.210 69 D C 0.179 176.483 176.300 0.007 0.000 1.102 69 D CA -0.032 53.971 54.000 0.006 0.000 0.840 69 D CB -0.231 40.588 40.800 0.030 0.000 0.990 69 D HN 0.349 nan 8.370 nan 0.000 0.505 70 N N -1.152 117.545 118.700 -0.006 0.000 2.961 70 N HA 0.326 5.066 4.740 0.000 0.000 0.245 70 N C -1.969 173.534 175.510 -0.011 0.000 1.404 70 N CA -0.926 52.124 53.050 0.001 0.000 0.880 70 N CB 1.839 40.344 38.487 0.029 0.000 1.461 70 N HN -0.225 nan 8.380 nan 0.000 0.510 71 V N 0.231 120.139 119.914 -0.010 0.000 2.435 71 V HA 0.738 4.858 4.120 0.000 0.000 0.290 71 V C 0.710 176.806 176.094 0.004 0.000 1.030 71 V CA -0.533 61.760 62.300 -0.011 0.000 0.881 71 V CB 1.237 33.045 31.823 -0.025 0.000 0.983 71 V HN 0.870 nan 8.190 nan 0.000 0.445 72 G N 3.852 112.653 108.800 0.001 0.000 2.338 72 G HA2 0.509 4.469 3.960 0.000 0.000 0.295 72 G HA3 0.509 4.469 3.960 0.000 0.000 0.295 72 G C -0.726 174.175 174.900 0.001 0.000 1.132 72 G CA -0.157 44.944 45.100 0.002 0.000 0.922 72 G HN 0.521 nan 8.290 nan 0.000 0.427 73 V N 3.420 123.347 119.914 0.023 0.000 2.459 73 V HA 0.303 4.423 4.120 0.000 0.000 0.295 73 V C 0.009 176.095 176.094 -0.012 0.000 1.029 73 V CA -0.785 61.535 62.300 0.034 0.000 0.874 73 V CB 1.922 33.827 31.823 0.136 0.000 0.985 73 V HN 0.460 nan 8.190 nan 0.000 0.438 74 V N 6.048 125.899 119.914 -0.104 0.000 2.383 74 V HA 0.318 4.438 4.120 0.000 0.000 0.275 74 V C -0.028 175.846 176.094 -0.367 0.000 1.036 74 V CA -0.240 61.921 62.300 -0.231 0.000 0.889 74 V CB 1.869 33.524 31.823 -0.280 0.000 0.985 74 V HN 0.651 nan 8.190 nan 0.000 0.459 75 V N 6.694 126.429 119.914 -0.299 0.000 2.432 75 V HA 0.312 4.432 4.120 0.000 0.000 0.275 75 V C 0.062 176.004 176.094 -0.253 0.000 1.043 75 V CA -0.350 61.782 62.300 -0.280 0.000 0.925 75 V CB 1.083 32.741 31.823 -0.274 0.000 0.985 75 V HN 0.712 nan 8.190 nan 0.000 0.466 76 F N 4.290 124.262 119.950 0.037 0.000 2.871 76 F HA 0.636 5.163 4.527 0.000 0.000 0.317 76 F C 1.099 176.913 175.800 0.024 0.000 1.193 76 F CA 0.006 58.035 58.000 0.048 0.000 1.311 76 F CB 0.001 39.045 39.000 0.075 0.000 1.380 76 F HN 0.724 nan 8.300 nan 0.000 0.557 77 G N -0.084 108.792 108.800 0.126 0.000 2.323 77 G HA2 -0.009 3.951 3.960 0.000 0.000 0.291 77 G HA3 -0.009 3.951 3.960 0.000 0.000 0.291 77 G C -1.467 173.436 174.900 0.005 0.000 1.278 77 G CA -1.173 43.971 45.100 0.072 0.000 0.860 77 G HN -0.027 nan 8.290 nan 0.000 0.504 78 N N 1.187 119.885 118.700 -0.004 0.000 2.427 78 N HA 0.099 4.839 4.740 0.000 0.000 0.269 78 N C 0.878 176.347 175.510 -0.069 0.000 1.235 78 N CA 0.492 53.526 53.050 -0.026 0.000 0.934 78 N CB 1.299 39.779 38.487 -0.012 0.000 1.121 78 N HN 0.586 nan 8.380 nan 0.000 0.480 79 D N 3.444 123.790 120.400 -0.091 0.000 2.371 79 D HA -0.174 4.466 4.640 0.000 0.000 0.221 79 D C 1.365 177.600 176.300 -0.107 0.000 0.986 79 D CA 0.872 54.787 54.000 -0.143 0.000 0.899 79 D CB -0.088 40.625 40.800 -0.146 0.000 0.902 79 D HN 0.712 nan 8.370 nan 0.000 0.530 80 K N 0.771 121.131 120.400 -0.066 0.000 2.281 80 K HA -0.108 4.212 4.320 0.000 0.000 0.203 80 K C 1.649 178.223 176.600 -0.044 0.000 1.046 80 K CA 0.954 57.214 56.287 -0.046 0.000 0.938 80 K CB -0.428 32.056 32.500 -0.028 0.000 0.737 80 K HN 0.232 nan 8.250 nan 0.000 0.458 81 L N 0.953 122.143 121.223 -0.055 0.000 2.554 81 L HA 0.201 4.541 4.340 0.000 0.000 0.226 81 L C 0.768 177.612 176.870 -0.043 0.000 1.137 81 L CA -0.008 54.809 54.840 -0.039 0.000 0.863 81 L CB -0.194 41.846 42.059 -0.032 0.000 0.985 81 L HN 0.132 nan 8.230 nan 0.000 0.451 82 I N 0.075 120.595 120.570 -0.084 0.000 2.385 82 I HA 0.247 4.417 4.170 0.000 0.000 0.294 82 I C -0.044 176.061 176.117 -0.019 0.000 0.988 82 I CA -0.237 61.023 61.300 -0.066 0.000 1.265 82 I CB 1.336 39.209 38.000 -0.212 0.000 1.388 82 I HN -0.000 nan 8.210 nan 0.000 0.480 83 K N 4.022 124.437 120.400 0.024 0.000 2.400 83 K HA 0.373 4.693 4.320 0.000 0.000 0.246 83 K C -0.808 175.817 176.600 0.041 0.000 0.995 83 K CA -0.998 55.302 56.287 0.023 0.000 0.840 83 K CB 1.957 34.469 32.500 0.020 0.000 1.293 83 K HN 0.496 nan 8.250 nan 0.000 0.445 84 E N 0.277 120.493 120.200 0.027 0.000 2.465 84 E HA -0.026 4.324 4.350 0.000 0.000 0.260 84 E C 0.516 177.134 176.600 0.031 0.000 0.980 84 E CA 1.395 57.812 56.400 0.029 0.000 0.927 84 E CB 0.145 29.854 29.700 0.014 0.000 0.934 84 E HN 0.774 nan 8.360 nan 0.000 0.459 85 G N 4.085 112.907 108.800 0.036 0.000 2.258 85 G HA2 -0.245 3.715 3.960 0.000 0.000 0.233 85 G HA3 -0.245 3.715 3.960 0.000 0.000 0.233 85 G C 0.039 174.966 174.900 0.044 0.000 1.006 85 G CA 0.115 45.233 45.100 0.029 0.000 0.620 85 G HN 0.664 nan 8.290 nan 0.000 0.511 86 D N 1.049 121.490 120.400 0.068 0.000 2.429 86 D HA 0.281 4.921 4.640 0.000 0.000 0.233 86 D C 1.248 177.586 176.300 0.063 0.000 1.202 86 D CA 0.158 54.208 54.000 0.084 0.000 0.879 86 D CB 0.378 41.267 40.800 0.149 0.000 1.212 86 D HN 0.207 nan 8.370 nan 0.000 0.465 87 I N 1.543 122.138 120.570 0.042 0.000 2.474 87 I HA 0.134 4.304 4.170 0.000 0.000 0.287 87 I C 0.190 176.270 176.117 -0.061 0.000 1.048 87 I CA -0.344 60.956 61.300 0.000 0.000 1.383 87 I CB 0.778 38.779 38.000 0.002 0.000 1.412 87 I HN -0.024 nan 8.210 nan 0.000 0.531 88 V N 7.166 127.002 119.914 -0.130 0.000 2.540 88 V HA 0.419 4.539 4.120 0.000 0.000 0.302 88 V C -0.018 175.964 176.094 -0.187 0.000 1.035 88 V CA -0.934 61.191 62.300 -0.291 0.000 0.873 88 V CB 2.127 33.686 31.823 -0.441 0.000 0.992 88 V HN 0.643 nan 8.190 nan 0.000 0.428 89 K N 3.881 124.175 120.400 -0.176 0.000 2.270 89 K HA 0.614 4.934 4.320 0.000 0.000 0.255 89 K C -0.424 176.121 176.600 -0.091 0.000 0.936 89 K CA -0.872 55.355 56.287 -0.101 0.000 0.809 89 K CB 2.518 34.982 32.500 -0.060 0.000 1.131 89 K HN 0.539 nan 8.250 nan 0.000 0.427 90 R N 0.382 120.844 120.500 -0.064 0.000 2.694 90 R HA 0.018 4.358 4.340 0.000 0.000 0.268 90 R C 0.882 177.167 176.300 -0.025 0.000 1.061 90 R CA 0.222 56.296 56.100 -0.044 0.000 1.133 90 R CB 0.624 30.904 30.300 -0.033 0.000 1.020 90 R HN 0.605 nan 8.270 nan 0.000 0.475 91 T N -0.276 114.271 114.554 -0.011 0.000 2.971 91 T HA 0.155 4.505 4.350 0.000 0.000 0.252 91 T C 1.088 175.790 174.700 0.002 0.000 1.022 91 T CA 0.695 62.796 62.100 0.001 0.000 0.980 91 T CB 0.180 69.057 68.868 0.016 0.000 1.044 91 T HN 0.901 nan 8.240 nan 0.000 0.501 92 G N 1.336 110.136 108.800 0.000 0.000 2.168 92 G HA2 -0.083 3.877 3.960 0.000 0.000 0.263 92 G HA3 -0.083 3.877 3.960 0.000 0.000 0.263 92 G C 0.140 175.044 174.900 0.007 0.000 0.977 92 G CA 0.251 45.351 45.100 0.001 0.000 0.659 92 G HN 1.034 nan 8.290 nan 0.000 0.533 93 A N 0.345 123.173 122.820 0.013 0.000 2.343 93 A HA 0.763 5.083 4.320 0.000 0.000 0.316 93 A C 0.260 177.860 177.584 0.026 0.000 1.104 93 A CA -0.768 51.280 52.037 0.017 0.000 0.768 93 A CB 1.072 20.082 19.000 0.016 0.000 1.213 93 A HN 0.510 nan 8.150 nan 0.000 0.456 94 I N 2.317 122.902 120.570 0.024 0.000 2.692 94 I HA 0.021 4.191 4.170 0.000 0.000 0.284 94 I C 0.766 176.905 176.117 0.037 0.000 1.159 94 I CA 0.096 61.414 61.300 0.031 0.000 1.423 94 I CB 0.610 38.623 38.000 0.021 0.000 1.380 94 I HN 0.382 nan 8.210 nan 0.000 0.580 95 V N 6.769 126.717 119.914 0.058 0.000 2.625 95 V HA -0.081 4.039 4.120 0.000 0.000 0.305 95 V C 0.312 176.419 176.094 0.022 0.000 1.055 95 V CA 0.523 62.858 62.300 0.060 0.000 1.209 95 V CB -0.314 31.574 31.823 0.107 0.000 0.877 95 V HN 0.964 nan 8.190 nan 0.000 0.489 96 D N 3.815 124.218 120.400 0.005 0.000 2.664 96 D HA 0.727 5.367 4.640 0.000 0.000 0.292 96 D C -0.683 175.603 176.300 -0.023 0.000 1.214 96 D CA -0.463 53.533 54.000 -0.006 0.000 0.932 96 D CB 2.161 42.960 40.800 -0.002 0.000 1.420 96 D HN 0.579 nan 8.370 nan 0.000 0.471 97 V N -5.268 114.633 119.914 -0.022 0.000 3.159 97 V HA 0.758 4.878 4.120 0.000 0.000 0.308 97 V C -2.960 173.113 176.094 -0.035 0.000 1.190 97 V CA -2.199 60.081 62.300 -0.032 0.000 1.037 97 V CB 1.804 33.609 31.823 -0.030 0.000 1.060 97 V HN 0.588 nan 8.190 nan 0.000 0.437 98 P HA 0.384 nan 4.420 nan 0.000 0.269 98 P C -0.774 176.476 177.300 -0.083 0.000 1.215 98 P CA 0.135 63.198 63.100 -0.062 0.000 0.780 98 P CB 1.348 33.015 31.700 -0.055 0.000 0.898 99 V N 1.044 120.869 119.914 -0.147 0.000 3.048 99 V HA 0.796 4.916 4.120 0.000 0.000 0.303 99 V C 0.043 175.839 176.094 -0.496 0.000 1.214 99 V CA 0.480 62.642 62.300 -0.231 0.000 0.984 99 V CB 2.013 33.740 31.823 -0.161 0.000 1.054 99 V HN 1.066 nan 8.190 nan 0.000 0.430 100 G N 3.337 111.690 108.800 -0.746 0.000 2.359 100 G HA2 0.038 3.998 3.960 0.000 0.000 0.303 100 G HA3 0.038 3.998 3.960 0.000 0.000 0.303 100 G C -0.027 174.559 174.900 -0.524 0.000 1.293 100 G CA 0.024 44.403 45.100 -1.202 0.000 0.964 100 G HN 0.650 nan 8.290 nan 0.000 0.531 101 E N -0.075 119.923 120.200 -0.337 0.000 2.347 101 E HA -0.038 4.312 4.350 0.000 0.000 0.196 101 E C 1.758 178.361 176.600 0.004 0.000 1.008 101 E CA 1.197 57.581 56.400 -0.026 0.000 0.852 101 E CB 0.123 29.837 29.700 0.023 0.000 0.783 101 E HN 0.553 nan 8.360 nan 0.000 0.505 102 E N 0.504 120.666 120.200 -0.063 0.000 2.472 102 E HA -0.098 4.252 4.350 0.000 0.000 0.200 102 E C 1.479 178.079 176.600 0.000 0.000 1.046 102 E CA 0.470 56.854 56.400 -0.027 0.000 0.871 102 E CB 0.001 29.670 29.700 -0.053 0.000 0.806 102 E HN 0.234 nan 8.360 nan 0.000 0.533 103 L N 0.088 121.319 121.223 0.014 0.000 2.529 103 L HA 0.124 4.464 4.340 0.000 0.000 0.223 103 L C 0.179 177.100 176.870 0.085 0.000 1.113 103 L CA -0.182 54.684 54.840 0.043 0.000 0.861 103 L CB 0.058 42.142 42.059 0.042 0.000 1.012 103 L HN 0.078 nan 8.230 nan 0.000 0.461 104 L N 0.296 121.592 121.223 0.121 0.000 2.455 104 L HA 0.235 4.575 4.340 0.000 0.000 0.272 104 L C 1.364 178.286 176.870 0.087 0.000 1.174 104 L CA 0.496 55.422 54.840 0.143 0.000 0.869 104 L CB 0.094 42.282 42.059 0.215 0.000 1.130 104 L HN 0.288 nan 8.230 nan 0.000 0.474 105 G N 1.660 110.494 108.800 0.056 0.000 2.176 105 G HA2 -0.200 3.760 3.960 0.000 0.000 0.253 105 G HA3 -0.200 3.760 3.960 0.000 0.000 0.253 105 G C 0.243 175.151 174.900 0.014 0.000 0.979 105 G CA -0.414 44.696 45.100 0.017 0.000 0.641 105 G HN 0.473 nan 8.290 nan 0.000 0.530 106 R N -0.465 120.051 120.500 0.027 0.000 2.732 106 R HA 0.723 5.063 4.340 0.000 0.000 0.278 106 R C -0.324 175.991 176.300 0.025 0.000 0.976 106 R CA -0.812 55.301 56.100 0.022 0.000 0.963 106 R CB 1.794 32.107 30.300 0.022 0.000 1.150 106 R HN 0.228 nan 8.270 nan 0.000 0.478 107 V N 2.451 122.377 119.914 0.021 0.000 2.384 107 V HA 0.454 4.574 4.120 0.000 0.000 0.287 107 V C 0.241 176.350 176.094 0.025 0.000 1.020 107 V CA -0.760 61.557 62.300 0.028 0.000 0.850 107 V CB 1.442 33.279 31.823 0.024 0.000 0.987 107 V HN 0.610 nan 8.190 nan 0.000 0.436 108 V N 1.391 121.322 119.914 0.028 0.000 3.126 108 V HA 0.841 4.961 4.120 0.000 0.000 0.314 108 V C -0.479 175.627 176.094 0.020 0.000 1.138 108 V CA -0.825 61.487 62.300 0.019 0.000 1.034 108 V CB 2.213 34.044 31.823 0.013 0.000 1.075 108 V HN 0.783 nan 8.190 nan 0.000 0.442 109 D N 1.686 122.093 120.400 0.011 0.000 2.478 109 D HA 0.512 5.152 4.640 0.000 0.000 0.274 109 D C 1.182 177.480 176.300 -0.004 0.000 1.234 109 D CA 0.010 54.016 54.000 0.011 0.000 1.069 109 D CB 0.969 41.776 40.800 0.012 0.000 1.113 109 D HN 0.854 nan 8.370 nan 0.000 0.571 110 A N -0.803 122.010 122.820 -0.011 0.000 2.070 110 A HA -0.032 4.288 4.320 0.000 0.000 0.220 110 A C 2.161 179.693 177.584 -0.088 0.000 1.159 110 A CA 0.857 52.873 52.037 -0.036 0.000 0.656 110 A CB -0.782 18.202 19.000 -0.026 0.000 0.800 110 A HN 0.524 nan 8.150 nan 0.000 0.453 111 L N -1.955 119.209 121.223 -0.098 0.000 2.607 111 L HA 0.249 4.589 4.340 0.000 0.000 0.228 111 L C 1.589 178.418 176.870 -0.068 0.000 1.123 111 L CA 0.577 55.342 54.840 -0.126 0.000 0.890 111 L CB 0.186 42.158 42.059 -0.144 0.000 1.103 111 L HN 0.556 nan 8.230 nan 0.000 0.468 112 G N -0.324 108.451 108.800 -0.040 0.000 2.163 112 G HA2 -0.221 3.739 3.960 0.000 0.000 0.213 112 G HA3 -0.221 3.739 3.960 0.000 0.000 0.213 112 G C -0.035 174.855 174.900 -0.016 0.000 0.991 112 G CA -0.490 44.595 45.100 -0.025 0.000 0.653 112 G HN 0.305 nan 8.290 nan 0.000 0.518 113 N N 1.127 119.819 118.700 -0.013 0.000 2.514 113 N HA 0.565 5.305 4.740 0.000 0.000 0.277 113 N C 0.609 176.120 175.510 0.002 0.000 1.126 113 N CA 0.542 53.589 53.050 -0.004 0.000 0.978 113 N CB 1.469 39.956 38.487 0.000 0.000 1.106 113 N HN 0.689 nan 8.380 nan 0.000 0.461 114 A N 1.823 124.645 122.820 0.003 0.000 2.511 114 A HA 0.228 4.548 4.320 0.000 0.000 0.242 114 A C 1.244 178.834 177.584 0.010 0.000 1.069 114 A CA -0.077 51.964 52.037 0.007 0.000 0.763 114 A CB -0.416 18.587 19.000 0.005 0.000 1.001 114 A HN 0.845 nan 8.150 nan 0.000 0.498 115 I N -1.058 119.520 120.570 0.013 0.000 4.160 115 I HA 0.250 4.420 4.170 0.000 0.000 0.325 115 I C 0.146 176.271 176.117 0.013 0.000 1.455 115 I CA 0.008 61.316 61.300 0.015 0.000 1.142 115 I CB 0.510 38.522 38.000 0.019 0.000 1.262 115 I HN 0.462 nan 8.210 nan 0.000 0.483 116 D N 1.216 121.622 120.400 0.011 0.000 2.339 116 D HA 0.170 4.811 4.640 0.000 0.000 0.217 116 D C 1.656 177.960 176.300 0.005 0.000 1.050 116 D CA 0.676 54.681 54.000 0.008 0.000 0.856 116 D CB 0.155 40.958 40.800 0.006 0.000 0.922 116 D HN 0.460 nan 8.370 nan 0.000 0.518 117 G N 0.738 109.542 108.800 0.006 0.000 2.143 117 G HA2 -0.368 3.592 3.960 0.000 0.000 0.248 117 G HA3 -0.368 3.592 3.960 0.000 0.000 0.248 117 G C 0.768 175.670 174.900 0.003 0.000 0.991 117 G CA 0.414 45.517 45.100 0.005 0.000 0.689 117 G HN 0.456 nan 8.290 nan 0.000 0.522 118 K N 0.162 120.564 120.400 0.003 0.000 2.410 118 K HA 0.484 4.804 4.320 0.000 0.000 0.200 118 K C 1.350 177.952 176.600 0.003 0.000 1.023 118 K CA 0.472 56.761 56.287 0.003 0.000 1.149 118 K CB 0.499 33.001 32.500 0.003 0.000 0.859 118 K HN 1.457 nan 8.250 nan 0.000 0.514 119 G N 2.151 110.953 108.800 0.003 0.000 2.655 119 G HA2 -0.165 3.795 3.960 0.000 0.000 0.680 119 G HA3 -0.165 3.795 3.960 0.000 0.000 0.680 119 G C -2.817 172.084 174.900 0.001 0.000 1.302 119 G CA -1.361 43.740 45.100 0.002 0.000 0.872 119 G HN -0.045 nan 8.290 nan 0.000 0.540 120 P HA 0.448 nan 4.420 nan 0.000 0.268 120 P C 0.016 177.312 177.300 -0.006 0.000 1.205 120 P CA -0.166 62.933 63.100 -0.003 0.000 0.771 120 P CB 0.391 32.089 31.700 -0.004 0.000 0.858 121 I N 1.857 122.421 120.570 -0.010 0.000 2.337 121 I HA 0.211 4.381 4.170 0.000 0.000 0.291 121 I C 1.485 177.588 176.117 -0.024 0.000 1.046 121 I CA 0.482 61.773 61.300 -0.016 0.000 1.324 121 I CB 0.462 38.451 38.000 -0.018 0.000 1.409 121 I HN 0.395 nan 8.210 nan 0.000 0.494 122 G N 5.070 113.855 108.800 -0.024 0.000 3.401 122 G HA2 0.154 4.114 3.960 0.000 0.000 0.251 122 G HA3 0.154 4.114 3.960 0.000 0.000 0.251 122 G C 0.469 175.341 174.900 -0.046 0.000 0.960 122 G CA -0.360 44.722 45.100 -0.029 0.000 1.900 122 G HN 0.642 nan 8.290 nan 0.000 0.645 123 S N -0.254 115.411 115.700 -0.059 0.000 2.564 123 S HA 0.270 4.740 4.470 0.000 0.000 0.278 123 S C 0.790 175.338 174.600 -0.086 0.000 1.333 123 S CA -0.538 57.606 58.200 -0.093 0.000 1.048 123 S CB 2.057 65.190 63.200 -0.111 0.000 0.900 123 S HN 0.277 nan 8.310 nan 0.000 0.505 124 K N 1.233 121.570 120.400 -0.105 0.000 2.493 124 K HA 0.426 4.746 4.320 0.000 0.000 0.207 124 K C -0.169 176.378 176.600 -0.089 0.000 1.033 124 K CA -0.076 56.163 56.287 -0.081 0.000 1.161 124 K CB -0.046 32.413 32.500 -0.068 0.000 0.873 124 K HN 0.850 nan 8.250 nan 0.000 0.491 125 A N 0.597 123.348 122.820 -0.114 0.000 2.605 125 A HA 0.630 4.950 4.320 0.000 0.000 0.294 125 A C -1.307 176.217 177.584 -0.100 0.000 1.062 125 A CA -0.872 51.104 52.037 -0.102 0.000 0.682 125 A CB 1.189 20.116 19.000 -0.122 0.000 1.278 125 A HN 0.235 nan 8.150 nan 0.000 0.410 126 R N -0.041 120.422 120.500 -0.062 0.000 2.867 126 R HA 0.825 5.165 4.340 0.000 0.000 0.268 126 R C -0.751 175.534 176.300 -0.025 0.000 1.014 126 R CA -0.889 55.182 56.100 -0.047 0.000 0.946 126 R CB 2.595 32.875 30.300 -0.032 0.000 1.208 126 R HN 0.733 nan 8.270 nan 0.000 0.477 127 R N 0.796 121.287 120.500 -0.015 0.000 2.626 127 R HA 0.312 4.652 4.340 0.000 0.000 0.274 127 R C -0.981 175.324 176.300 0.008 0.000 1.031 127 R CA -0.844 55.259 56.100 0.005 0.000 0.898 127 R CB 2.035 32.347 30.300 0.020 0.000 1.222 127 R HN 0.526 nan 8.270 nan 0.000 0.455 128 R N 1.334 121.841 120.500 0.011 0.000 2.537 128 R HA 0.008 4.348 4.340 0.000 0.000 0.280 128 R C 1.497 177.803 176.300 0.011 0.000 1.058 128 R CA 0.076 56.181 56.100 0.008 0.000 1.057 128 R CB 0.781 31.084 30.300 0.006 0.000 0.973 128 R HN 0.507 nan 8.270 nan 0.000 0.438 129 V N 0.693 120.610 119.914 0.004 0.000 3.041 129 V HA 0.074 4.194 4.120 0.000 0.000 0.260 129 V C 1.182 177.260 176.094 -0.027 0.000 1.105 129 V CA 1.776 64.084 62.300 0.014 0.000 1.125 129 V CB 0.077 31.911 31.823 0.018 0.000 0.730 129 V HN 0.869 nan 8.190 nan 0.000 0.479 130 G N 0.076 108.837 108.800 -0.065 0.000 3.277 130 G HA2 0.352 4.312 3.960 0.000 0.000 0.243 130 G HA3 0.352 4.312 3.960 0.000 0.000 0.243 130 G C 0.382 175.247 174.900 -0.058 0.000 1.107 130 G CA -0.501 44.528 45.100 -0.118 0.000 0.771 130 G HN 0.484 nan 8.290 nan 0.000 0.544 131 L N 1.114 122.327 121.223 -0.018 0.000 2.559 131 L HA 0.073 4.413 4.340 0.000 0.000 0.282 131 L C 1.062 177.930 176.870 -0.002 0.000 1.232 131 L CA 0.142 54.981 54.840 -0.001 0.000 0.885 131 L CB 0.493 42.560 42.059 0.014 0.000 1.131 131 L HN 0.071 nan 8.230 nan 0.000 0.498 132 K N 2.506 122.908 120.400 0.003 0.000 2.258 132 K HA 0.408 4.728 4.320 0.000 0.000 0.264 132 K C -0.032 176.570 176.600 0.003 0.000 1.007 132 K CA -0.482 55.810 56.287 0.008 0.000 0.941 132 K CB 0.890 33.400 32.500 0.017 0.000 0.966 132 K HN 0.677 nan 8.250 nan 0.000 0.480 133 A N 4.316 127.137 122.820 0.002 0.000 2.406 133 A HA 0.295 4.615 4.320 0.000 0.000 0.243 133 A C -2.195 175.371 177.584 -0.029 0.000 1.082 133 A CA -1.198 50.834 52.037 -0.009 0.000 0.786 133 A CB -0.464 18.532 19.000 -0.006 0.000 1.029 133 A HN 0.617 nan 8.150 nan 0.000 0.495 134 P HA 0.233 nan 4.420 nan 0.000 0.266 134 P C 0.622 177.866 177.300 -0.093 0.000 1.195 134 P CA 0.486 63.518 63.100 -0.113 0.000 0.768 134 P CB 0.494 32.086 31.700 -0.180 0.000 0.838 135 G N 1.103 109.844 108.800 -0.099 0.000 2.531 135 G HA2 0.198 4.158 3.960 0.000 0.000 0.253 135 G HA3 0.198 4.158 3.960 0.000 0.000 0.253 135 G C 0.944 175.799 174.900 -0.075 0.000 1.439 135 G CA -0.510 44.552 45.100 -0.063 0.000 1.056 135 G HN 0.318 nan 8.290 nan 0.000 0.555 136 I N -0.316 120.226 120.570 -0.046 0.000 2.142 136 I HA -0.100 4.070 4.170 0.000 0.000 0.240 136 I C 2.631 178.720 176.117 -0.047 0.000 1.078 136 I CA 0.855 62.133 61.300 -0.035 0.000 1.343 136 I CB -0.397 37.596 38.000 -0.013 0.000 1.046 136 I HN 0.236 nan 8.210 nan 0.000 0.405 137 I N 0.498 121.042 120.570 -0.044 0.000 2.179 137 I HA -0.170 4.000 4.170 0.000 0.000 0.242 137 I C -0.491 175.590 176.117 -0.060 0.000 1.088 137 I CA 1.840 63.130 61.300 -0.017 0.000 1.357 137 I CB -1.803 36.219 38.000 0.037 0.000 1.051 137 I HN 0.185 nan 8.210 nan 0.000 0.409 138 P HA -0.064 nan 4.420 nan 0.000 0.234 138 P C 0.211 177.332 177.300 -0.299 0.000 1.167 138 P CA 0.954 63.666 63.100 -0.648 0.000 0.763 138 P CB 0.058 30.904 31.700 -1.422 0.000 0.835 139 R N -0.429 119.980 120.500 -0.151 0.000 2.607 139 R HA 0.717 5.057 4.340 0.000 0.000 0.261 139 R C -0.155 176.135 176.300 -0.017 0.000 1.051 139 R CA -0.857 55.199 56.100 -0.074 0.000 1.110 139 R CB 1.246 31.509 30.300 -0.062 0.000 1.158 139 R HN -0.021 nan 8.270 nan 0.000 0.543 140 I N -0.241 120.329 120.570 -0.001 0.000 2.775 140 I HA 0.112 4.282 4.170 0.000 0.000 0.295 140 I C -0.675 175.447 176.117 0.009 0.000 1.287 140 I CA -0.521 60.786 61.300 0.012 0.000 1.029 140 I CB 2.551 40.567 38.000 0.026 0.000 1.282 140 I HN 0.608 nan 8.210 nan 0.000 0.426 141 S N 3.569 119.273 115.700 0.007 0.000 2.643 141 S HA 0.002 4.473 4.470 0.000 0.000 0.310 141 S C -0.109 174.493 174.600 0.003 0.000 1.253 141 S CA -0.276 57.926 58.200 0.004 0.000 1.047 141 S CB 0.134 63.336 63.200 0.004 0.000 0.767 141 S HN 0.332 nan 8.310 nan 0.000 0.498 142 V N 5.538 125.452 119.914 0.001 0.000 2.529 142 V HA 0.102 4.222 4.120 0.000 0.000 0.292 142 V C 1.221 177.308 176.094 -0.011 0.000 1.028 142 V CA 0.849 63.147 62.300 -0.004 0.000 1.074 142 V CB 0.518 32.338 31.823 -0.005 0.000 0.958 142 V HN 0.877 nan 8.190 nan 0.000 0.481 143 R N 1.832 122.320 120.500 -0.020 0.000 2.580 143 R HA 0.195 4.535 4.340 0.000 0.000 0.285 143 R C -0.063 176.208 176.300 -0.048 0.000 0.947 143 R CA -0.278 55.806 56.100 -0.027 0.000 1.102 143 R CB 0.821 31.110 30.300 -0.018 0.000 1.696 143 R HN 0.703 nan 8.270 nan 0.000 0.506 144 E N 2.735 122.893 120.200 -0.069 0.000 2.200 144 E HA 0.223 4.573 4.350 0.000 0.000 0.283 144 E C -2.558 173.966 176.600 -0.126 0.000 1.015 144 E CA -2.237 54.093 56.400 -0.116 0.000 0.819 144 E CB 1.118 30.712 29.700 -0.176 0.000 1.081 144 E HN -0.148 nan 8.360 nan 0.000 0.397 145 P HA -0.051 nan 4.420 nan 0.000 0.265 145 P C -0.560 176.641 177.300 -0.165 0.000 1.193 145 P CA 0.173 63.201 63.100 -0.119 0.000 0.765 145 P CB 0.417 32.054 31.700 -0.104 0.000 0.823 146 M N 3.433 122.963 119.600 -0.116 0.000 2.065 146 M HA 0.132 4.612 4.480 0.000 0.000 0.308 146 M C -0.712 175.554 176.300 -0.057 0.000 0.939 146 M CA -0.519 54.712 55.300 -0.115 0.000 0.890 146 M CB 0.330 32.879 32.600 -0.085 0.000 1.383 146 M HN 0.293 nan 8.290 nan 0.000 0.381 147 Q N 2.130 121.903 119.800 -0.045 0.000 2.262 147 Q HA 0.106 4.446 4.340 0.000 0.000 0.272 147 Q C 1.335 177.372 176.000 0.062 0.000 1.076 147 Q CA 0.288 56.110 55.803 0.032 0.000 0.905 147 Q CB 0.530 29.331 28.738 0.105 0.000 1.182 147 Q HN 0.731 nan 8.270 nan 0.000 0.390 148 T N -1.170 113.407 114.554 0.039 0.000 2.985 148 T HA 0.073 4.423 4.350 0.000 0.000 0.266 148 T C 1.258 175.982 174.700 0.042 0.000 1.076 148 T CA 0.658 62.781 62.100 0.038 0.000 1.135 148 T CB 0.070 68.951 68.868 0.022 0.000 0.890 148 T HN 0.826 nan 8.240 nan 0.000 0.480 149 G N 1.349 110.174 108.800 0.042 0.000 2.141 149 G HA2 -0.153 3.807 3.960 0.000 0.000 0.242 149 G HA3 -0.153 3.807 3.960 0.000 0.000 0.242 149 G C -0.086 174.824 174.900 0.016 0.000 0.982 149 G CA -0.001 45.117 45.100 0.031 0.000 0.662 149 G HN 0.574 nan 8.290 nan 0.000 0.527 150 I N 1.084 121.663 120.570 0.015 0.000 2.328 150 I HA 0.285 4.455 4.170 0.000 0.000 0.287 150 I C 1.501 177.626 176.117 0.012 0.000 1.012 150 I CA -0.873 60.432 61.300 0.008 0.000 1.195 150 I CB 0.957 38.958 38.000 0.003 0.000 1.350 150 I HN 0.064 nan 8.210 nan 0.000 0.464 151 K N 4.568 124.976 120.400 0.013 0.000 2.052 151 K HA -0.248 4.072 4.320 0.000 0.000 0.215 151 K C 1.929 178.539 176.600 0.017 0.000 1.053 151 K CA 2.204 58.502 56.287 0.018 0.000 0.934 151 K CB -0.025 32.488 32.500 0.021 0.000 0.717 151 K HN 0.741 nan 8.250 nan 0.000 0.450 152 A N 0.884 123.713 122.820 0.014 0.000 1.933 152 A HA -0.126 4.194 4.320 0.000 0.000 0.218 152 A C 2.397 179.992 177.584 0.017 0.000 1.175 152 A CA 1.596 53.642 52.037 0.015 0.000 0.628 152 A CB -0.531 18.476 19.000 0.013 0.000 0.814 152 A HN 0.107 nan 8.150 nan 0.000 0.444 153 V N 0.291 120.214 119.914 0.016 0.000 2.302 153 V HA -0.155 3.966 4.120 0.000 0.000 0.243 153 V C 1.992 178.096 176.094 0.016 0.000 1.036 153 V CA 2.020 64.330 62.300 0.017 0.000 1.020 153 V CB -0.792 31.040 31.823 0.015 0.000 0.657 153 V HN 0.449 nan 8.190 nan 0.000 0.453 154 D N 0.472 120.881 120.400 0.016 0.000 2.263 154 D HA -0.105 4.535 4.640 0.000 0.000 0.208 154 D C 2.302 178.611 176.300 0.015 0.000 0.971 154 D CA 1.651 55.660 54.000 0.015 0.000 0.867 154 D CB -0.029 40.782 40.800 0.018 0.000 0.929 154 D HN 0.622 nan 8.370 nan 0.000 0.492 155 S N -0.885 114.826 115.700 0.017 0.000 2.510 155 S HA 0.099 4.569 4.470 0.000 0.000 0.230 155 S C 2.014 176.624 174.600 0.016 0.000 1.066 155 S CA -0.135 58.075 58.200 0.018 0.000 0.941 155 S CB -0.254 62.958 63.200 0.020 0.000 0.829 155 S HN 0.150 nan 8.310 nan 0.000 0.530 156 L N 1.634 122.868 121.223 0.018 0.000 2.168 156 L HA 0.275 4.615 4.340 0.000 0.000 0.203 156 L C 0.562 177.445 176.870 0.021 0.000 1.078 156 L CA 0.510 55.363 54.840 0.021 0.000 0.780 156 L CB -0.084 41.990 42.059 0.026 0.000 0.939 156 L HN 0.370 nan 8.230 nan 0.000 0.451 157 V N -2.596 117.330 119.914 0.021 0.000 2.405 157 V HA 0.396 4.517 4.120 0.000 0.000 0.253 157 V C -2.688 173.415 176.094 0.015 0.000 0.963 157 V CA -1.889 60.423 62.300 0.021 0.000 1.003 157 V CB -0.066 31.774 31.823 0.028 0.000 1.251 157 V HN -0.077 nan 8.190 nan 0.000 0.520 158 P HA 0.346 nan 4.420 nan 0.000 0.268 158 P C -0.302 176.998 177.300 -0.000 0.000 1.205 158 P CA 0.410 63.512 63.100 0.004 0.000 0.771 158 P CB 1.394 33.094 31.700 0.000 0.000 0.858 159 I N 1.577 122.144 120.570 -0.006 0.000 2.441 159 I HA 0.554 4.724 4.170 0.000 0.000 0.295 159 I C 0.984 177.085 176.117 -0.027 0.000 0.994 159 I CA -0.540 60.753 61.300 -0.012 0.000 1.144 159 I CB 2.135 40.130 38.000 -0.009 0.000 1.314 159 I HN 0.331 nan 8.210 nan 0.000 0.445 160 G N 4.153 112.936 108.800 -0.028 0.000 2.511 160 G HA2 0.553 4.513 3.960 0.000 0.000 0.318 160 G HA3 0.553 4.513 3.960 0.000 0.000 0.318 160 G C -0.713 174.161 174.900 -0.044 0.000 1.210 160 G CA -0.919 44.155 45.100 -0.043 0.000 0.969 160 G HN 0.519 nan 8.290 nan 0.000 0.484 161 R N -0.039 120.423 120.500 -0.063 0.000 2.370 161 R HA 0.404 4.745 4.340 0.000 0.000 0.309 161 R C 1.105 177.409 176.300 0.006 0.000 1.059 161 R CA 0.973 57.047 56.100 -0.043 0.000 0.981 161 R CB 0.701 30.938 30.300 -0.106 0.000 0.972 161 R HN 1.157 nan 8.270 nan 0.000 0.437 162 G N 1.776 110.589 108.800 0.021 0.000 2.179 162 G HA2 -0.294 3.666 3.960 0.000 0.000 0.220 162 G HA3 -0.294 3.666 3.960 0.000 0.000 0.220 162 G C 0.208 175.116 174.900 0.014 0.000 0.990 162 G CA 0.020 45.136 45.100 0.027 0.000 0.646 162 G HN 0.594 nan 8.290 nan 0.000 0.517 163 Q N -0.060 119.743 119.800 0.005 0.000 2.396 163 Q HA 0.688 5.028 4.340 0.000 0.000 0.221 163 Q C -0.030 175.975 176.000 0.009 0.000 1.025 163 Q CA -0.361 55.445 55.803 0.005 0.000 0.946 163 Q CB 0.423 29.160 28.738 -0.001 0.000 1.224 163 Q HN 0.309 nan 8.270 nan 0.000 0.539 164 R N 1.380 121.887 120.500 0.011 0.000 2.480 164 R HA 0.377 4.717 4.340 0.000 0.000 0.306 164 R C -1.564 174.744 176.300 0.013 0.000 0.958 164 R CA -0.572 55.537 56.100 0.016 0.000 0.861 164 R CB 1.904 32.216 30.300 0.020 0.000 1.171 164 R HN 0.550 nan 8.270 nan 0.000 0.445 165 E N 2.546 122.754 120.200 0.012 0.000 2.265 165 E HA 0.306 4.656 4.350 0.000 0.000 0.262 165 E C -1.589 175.020 176.600 0.016 0.000 0.889 165 E CA -0.849 55.560 56.400 0.014 0.000 0.789 165 E CB 1.054 30.762 29.700 0.012 0.000 1.221 165 E HN 0.405 nan 8.360 nan 0.000 0.414 166 L N 5.297 126.531 121.223 0.018 0.000 2.397 166 L HA 0.512 4.852 4.340 0.000 0.000 0.271 166 L C -1.033 175.857 176.870 0.034 0.000 1.148 166 L CA 0.120 54.971 54.840 0.018 0.000 0.825 166 L CB 0.641 42.706 42.059 0.010 0.000 1.117 166 L HN 0.667 nan 8.230 nan 0.000 0.456 167 I N 6.983 127.572 120.570 0.031 0.000 2.359 167 I HA 0.418 4.589 4.170 0.000 0.000 0.284 167 I C -0.337 175.813 176.117 0.055 0.000 1.018 167 I CA -0.095 61.230 61.300 0.043 0.000 1.173 167 I CB 1.125 39.143 38.000 0.029 0.000 1.326 167 I HN 0.575 nan 8.210 nan 0.000 0.462 168 I N 5.160 125.792 120.570 0.105 0.000 2.730 168 I HA 0.947 5.118 4.170 0.000 0.000 0.298 168 I C -0.345 175.896 176.117 0.208 0.000 1.089 168 I CA -0.131 61.257 61.300 0.146 0.000 1.041 168 I CB 2.204 40.296 38.000 0.153 0.000 1.235 168 I HN 0.666 nan 8.210 nan 0.000 0.423 169 G N 4.688 113.587 108.800 0.165 0.000 2.340 169 G HA2 0.139 4.099 3.960 0.000 0.000 0.300 169 G HA3 0.139 4.099 3.960 0.000 0.000 0.300 169 G C -1.900 173.023 174.900 0.038 0.000 1.488 169 G CA -0.849 44.300 45.100 0.083 0.000 0.878 169 G HN 0.553 nan 8.290 nan 0.000 0.618 170 D N 0.259 120.662 120.400 0.004 0.000 2.346 170 D HA 0.285 4.925 4.640 0.000 0.000 0.236 170 D C 1.426 177.694 176.300 -0.054 0.000 1.259 170 D CA 0.098 54.095 54.000 -0.005 0.000 0.898 170 D CB 0.434 41.227 40.800 -0.012 0.000 1.178 170 D HN 0.714 nan 8.370 nan 0.000 0.457 171 R N 0.562 121.039 120.500 -0.038 0.000 2.698 171 R HA -0.028 4.313 4.340 0.000 0.000 0.266 171 R C -0.079 176.139 176.300 -0.136 0.000 1.026 171 R CA -0.133 55.932 56.100 -0.058 0.000 1.102 171 R CB 0.163 30.448 30.300 -0.025 0.000 0.978 171 R HN 0.229 nan 8.270 nan 0.000 0.436 172 Q N -0.347 119.353 119.800 -0.167 0.000 2.494 172 Q HA -0.162 4.178 4.340 0.000 0.000 0.266 172 Q C 0.478 176.123 176.000 -0.592 0.000 1.053 172 Q CA 1.822 57.449 55.803 -0.293 0.000 1.029 172 Q CB -1.942 26.654 28.738 -0.238 0.000 1.423 172 Q HN 1.015 nan 8.270 nan 0.000 0.516 173 T N -5.194 109.077 114.554 -0.472 0.000 3.060 173 T HA 0.426 4.776 4.350 0.000 0.000 0.249 173 T C 1.234 175.712 174.700 -0.371 0.000 1.079 173 T CA 0.985 62.739 62.100 -0.577 0.000 1.013 173 T CB 0.979 69.650 68.868 -0.328 0.000 0.975 173 T HN 0.802 nan 8.240 nan 0.000 0.518 174 G N 1.379 110.039 108.800 -0.233 0.000 2.151 174 G HA2 -0.186 3.774 3.960 0.000 0.000 0.140 174 G HA3 -0.186 3.774 3.960 0.000 0.000 0.140 174 G C 0.711 175.588 174.900 -0.038 0.000 1.020 174 G CA 0.112 45.174 45.100 -0.062 0.000 0.688 174 G HN 0.456 nan 8.290 nan 0.000 0.500 175 K N -0.088 120.284 120.400 -0.047 0.000 1.991 175 K HA -0.069 4.251 4.320 0.000 0.000 0.212 175 K C 2.547 179.156 176.600 0.016 0.000 1.049 175 K CA 1.957 58.237 56.287 -0.012 0.000 0.932 175 K CB -0.394 32.101 32.500 -0.007 0.000 0.717 175 K HN 0.269 nan 8.250 nan 0.000 0.441 176 T N 1.149 115.719 114.554 0.028 0.000 2.759 176 T HA -0.125 4.225 4.350 0.000 0.000 0.269 176 T C 2.097 176.818 174.700 0.037 0.000 1.042 176 T CA 1.597 63.737 62.100 0.066 0.000 1.140 176 T CB -0.233 68.680 68.868 0.075 0.000 0.864 176 T HN 0.167 nan 8.240 nan 0.000 0.455 177 S N 1.167 116.867 115.700 0.001 0.000 2.383 177 S HA -0.048 4.422 4.470 0.000 0.000 0.229 177 S C 2.011 176.588 174.600 -0.040 0.000 1.030 177 S CA 0.961 59.136 58.200 -0.042 0.000 1.002 177 S CB -0.453 62.702 63.200 -0.074 0.000 0.829 177 S HN 0.455 nan 8.310 nan 0.000 0.467 178 I N 1.481 122.042 120.570 -0.015 0.000 2.226 178 I HA -0.216 3.954 4.170 0.000 0.000 0.245 178 I C 2.660 178.786 176.117 0.015 0.000 1.100 178 I CA 1.178 62.475 61.300 -0.005 0.000 1.374 178 I CB -0.462 37.540 38.000 0.004 0.000 1.057 178 I HN 0.289 nan 8.210 nan 0.000 0.413 179 A N 0.690 123.532 122.820 0.037 0.000 1.968 179 A HA -0.086 4.234 4.320 0.000 0.000 0.217 179 A C 2.286 179.906 177.584 0.059 0.000 1.169 179 A CA 1.092 53.167 52.037 0.064 0.000 0.638 179 A CB -0.550 18.521 19.000 0.118 0.000 0.812 179 A HN 0.337 nan 8.150 nan 0.000 0.446 180 I N -0.275 120.314 120.570 0.033 0.000 2.163 180 I HA -0.209 3.961 4.170 0.000 0.000 0.240 180 I C 1.920 178.067 176.117 0.048 0.000 1.081 180 I CA 1.496 62.807 61.300 0.019 0.000 1.353 180 I CB -0.441 37.573 38.000 0.023 0.000 1.054 180 I HN 0.213 nan 8.210 nan 0.000 0.407 181 D N 0.566 120.985 120.400 0.032 0.000 2.133 181 D HA -0.175 4.465 4.640 0.000 0.000 0.195 181 D C 2.147 178.475 176.300 0.047 0.000 0.997 181 D CA 1.610 55.631 54.000 0.035 0.000 0.840 181 D CB -0.402 40.386 40.800 -0.019 0.000 0.947 181 D HN 0.247 nan 8.370 nan 0.000 0.452 182 T N 0.900 115.479 114.554 0.042 0.000 2.759 182 T HA -0.111 4.239 4.350 0.000 0.000 0.269 182 T C 1.904 176.650 174.700 0.078 0.000 1.042 182 T CA 0.529 62.660 62.100 0.052 0.000 1.140 182 T CB -0.004 68.889 68.868 0.041 0.000 0.864 182 T HN 0.104 nan 8.240 nan 0.000 0.455 183 I N 0.995 121.620 120.570 0.092 0.000 2.163 183 I HA -0.049 4.121 4.170 0.000 0.000 0.240 183 I C 2.367 178.611 176.117 0.212 0.000 1.081 183 I CA 1.218 62.608 61.300 0.150 0.000 1.353 183 I CB -1.168 36.902 38.000 0.117 0.000 1.054 183 I HN 0.278 nan 8.210 nan 0.000 0.407 184 I N 1.106 121.759 120.570 0.138 0.000 2.335 184 I HA -0.326 3.844 4.170 0.000 0.000 0.251 184 I C 2.266 178.446 176.117 0.106 0.000 1.129 184 I CA 1.385 62.765 61.300 0.135 0.000 1.402 184 I CB -0.582 37.472 38.000 0.089 0.000 1.069 184 I HN 0.292 nan 8.210 nan 0.000 0.424 185 N N 0.712 119.451 118.700 0.066 0.000 2.205 185 N HA -0.211 4.529 4.740 0.000 0.000 0.186 185 N C 1.812 177.283 175.510 -0.066 0.000 1.015 185 N CA 1.230 54.282 53.050 0.005 0.000 0.862 185 N CB 0.013 38.526 38.487 0.045 0.000 0.986 185 N HN 0.249 nan 8.380 nan 0.000 0.429 186 Q N 0.346 120.148 119.800 0.003 0.000 2.364 186 Q HA -0.104 4.237 4.340 0.000 0.000 0.207 186 Q C 1.648 177.460 176.000 -0.313 0.000 0.970 186 Q CA 0.629 56.402 55.803 -0.049 0.000 0.888 186 Q CB -0.284 28.358 28.738 -0.159 0.000 0.951 186 Q HN 0.525 nan 8.270 nan 0.000 0.469 187 K N 1.224 121.502 120.400 -0.203 0.000 2.218 187 K HA -0.163 4.157 4.320 0.000 0.000 0.205 187 K C 1.902 178.345 176.600 -0.260 0.000 1.046 187 K CA 0.935 57.148 56.287 -0.123 0.000 0.933 187 K CB 0.109 32.665 32.500 0.094 0.000 0.728 187 K HN 0.096 nan 8.250 nan 0.000 0.454 188 R N -0.591 119.616 120.500 -0.487 0.000 2.083 188 R HA -0.148 4.193 4.340 0.000 0.000 0.237 188 R C 2.085 178.073 176.300 -0.520 0.000 1.137 188 R CA 2.085 57.822 56.100 -0.604 0.000 0.951 188 R CB -0.311 29.386 30.300 -1.006 0.000 0.851 188 R HN 0.234 nan 8.270 nan 0.000 0.434 189 F N 0.195 120.056 119.950 -0.149 0.000 2.335 189 F HA 0.070 4.597 4.527 0.000 0.000 0.296 189 F C 1.868 177.554 175.800 -0.190 0.000 1.091 189 F CA 0.264 58.169 58.000 -0.159 0.000 1.399 189 F CB -0.486 38.406 39.000 -0.179 0.000 1.067 189 F HN -0.098 nan 8.300 nan 0.000 0.520 190 N N 0.248 118.863 118.700 -0.141 0.000 2.381 190 N HA -0.118 4.622 4.740 0.000 0.000 0.182 190 N C 0.901 176.363 175.510 -0.080 0.000 1.025 190 N CA 1.135 54.059 53.050 -0.210 0.000 0.888 190 N CB -0.352 37.844 38.487 -0.485 0.000 0.965 190 N HN 0.251 nan 8.380 nan 0.000 0.438 191 D N -0.445 119.915 120.400 -0.066 0.000 2.367 191 D HA 0.113 4.753 4.640 0.000 0.000 0.207 191 D C 1.198 177.485 176.300 -0.023 0.000 1.034 191 D CA 0.109 54.094 54.000 -0.026 0.000 0.861 191 D CB 0.030 40.813 40.800 -0.029 0.000 0.943 191 D HN 0.109 nan 8.370 nan 0.000 0.515 192 G N -0.391 108.394 108.800 -0.026 0.000 2.570 192 G HA2 0.194 4.154 3.960 0.000 0.000 0.276 192 G HA3 0.194 4.154 3.960 0.000 0.000 0.276 192 G C 0.874 175.782 174.900 0.013 0.000 1.346 192 G CA 0.061 45.158 45.100 -0.004 0.000 1.034 192 G HN 0.021 nan 8.290 nan 0.000 0.512 193 T N -0.878 113.687 114.554 0.018 0.000 3.023 193 T HA 0.063 4.413 4.350 0.000 0.000 0.249 193 T C 0.590 175.306 174.700 0.028 0.000 1.050 193 T CA 0.376 62.489 62.100 0.022 0.000 1.088 193 T CB 0.072 68.950 68.868 0.015 0.000 0.946 193 T HN 0.513 nan 8.240 nan 0.000 0.480 194 D N 2.128 122.546 120.400 0.030 0.000 2.348 194 D HA 0.079 4.719 4.640 0.000 0.000 0.259 194 D C 1.074 177.393 176.300 0.031 0.000 1.296 194 D CA 0.031 54.047 54.000 0.027 0.000 0.931 194 D CB 0.914 41.727 40.800 0.022 0.000 1.067 194 D HN 0.031 nan 8.370 nan 0.000 0.503 195 E N 3.065 123.289 120.200 0.040 0.000 2.153 195 E HA -0.183 4.167 4.350 0.000 0.000 0.194 195 E C 1.351 177.990 176.600 0.066 0.000 0.988 195 E CA 1.310 57.746 56.400 0.060 0.000 0.811 195 E CB 0.209 29.953 29.700 0.073 0.000 0.746 195 E HN 0.518 nan 8.360 nan 0.000 0.466 196 K N -0.000 120.428 120.400 0.046 0.000 2.209 196 K HA -0.080 4.241 4.320 0.000 0.000 0.204 196 K C 1.851 178.425 176.600 -0.043 0.000 1.048 196 K CA 0.996 57.313 56.287 0.050 0.000 0.940 196 K CB 0.016 32.526 32.500 0.017 0.000 0.729 196 K HN -0.026 nan 8.250 nan 0.000 0.451 197 K N 0.985 121.334 120.400 -0.085 0.000 2.400 197 K HA 0.042 4.362 4.320 0.000 0.000 0.194 197 K C 0.075 176.544 176.600 -0.218 0.000 1.033 197 K CA 0.188 56.339 56.287 -0.227 0.000 1.021 197 K CB 0.319 32.716 32.500 -0.172 0.000 0.808 197 K HN 0.086 nan 8.250 nan 0.000 0.505 198 K N 1.117 121.462 120.400 -0.091 0.000 2.397 198 K HA 0.028 4.348 4.320 0.000 0.000 0.265 198 K C -0.193 176.268 176.600 -0.232 0.000 0.982 198 K CA 0.077 56.260 56.287 -0.175 0.000 0.931 198 K CB 0.493 32.899 32.500 -0.157 0.000 0.943 198 K HN -0.108 nan 8.250 nan 0.000 0.501 199 L N 2.403 123.363 121.223 -0.439 0.000 2.676 199 L HA 0.221 4.561 4.340 0.000 0.000 0.262 199 L C -1.679 174.897 176.870 -0.490 0.000 0.965 199 L CA -0.322 54.324 54.840 -0.324 0.000 0.920 199 L CB 0.789 42.723 42.059 -0.208 0.000 1.260 199 L HN 0.439 nan 8.230 nan 0.000 0.422 200 Y N 2.846 123.006 120.300 -0.233 0.000 2.304 200 Y HA 0.534 5.084 4.550 0.000 0.000 0.327 200 Y C 0.586 176.374 175.900 -0.187 0.000 1.209 200 Y CA -0.069 57.867 58.100 -0.273 0.000 1.299 200 Y CB 0.988 39.014 38.460 -0.724 0.000 1.249 200 Y HN 0.512 nan 8.280 nan 0.000 0.519 201 C N 4.225 123.596 119.300 0.119 0.000 2.493 201 C HA 0.660 5.121 4.460 0.000 0.000 0.326 201 C C -0.467 174.561 174.990 0.064 0.000 1.200 201 C CA -1.027 58.045 59.018 0.090 0.000 1.739 201 C CB 0.725 28.576 27.740 0.185 0.000 2.300 201 C HN 0.540 nan 8.230 nan 0.000 0.500 202 I N 2.357 122.943 120.570 0.027 0.000 2.478 202 I HA 0.237 4.407 4.170 0.000 0.000 0.287 202 I C -1.200 174.928 176.117 0.017 0.000 1.042 202 I CA -0.312 61.000 61.300 0.020 0.000 1.067 202 I CB 1.246 39.229 38.000 -0.027 0.000 1.233 202 I HN 0.714 nan 8.210 nan 0.000 0.431 203 Y N 6.866 127.134 120.300 -0.054 0.000 2.402 203 Y HA 0.485 5.035 4.550 0.000 0.000 0.332 203 Y C -0.670 175.204 175.900 -0.044 0.000 0.960 203 Y CA -0.605 57.460 58.100 -0.060 0.000 1.228 203 Y CB 1.262 39.702 38.460 -0.033 0.000 1.120 203 Y HN 0.294 nan 8.280 nan 0.000 0.491 204 V N 6.453 126.066 119.914 -0.502 0.000 2.364 204 V HA 0.593 4.713 4.120 0.000 0.000 0.272 204 V C 0.166 175.982 176.094 -0.463 0.000 1.036 204 V CA -0.543 61.565 62.300 -0.321 0.000 0.880 204 V CB 0.649 32.396 31.823 -0.128 0.000 0.991 204 V HN 0.903 nan 8.190 nan 0.000 0.460 205 A N 7.577 130.256 122.820 -0.235 0.000 2.260 205 A HA 0.801 5.121 4.320 0.000 0.000 0.308 205 A C -0.444 177.119 177.584 -0.035 0.000 1.254 205 A CA -0.416 51.555 52.037 -0.110 0.000 0.874 205 A CB 0.198 19.260 19.000 0.105 0.000 1.153 205 A HN 0.665 nan 8.150 nan 0.000 0.527 206 I N 2.211 122.765 120.570 -0.027 0.000 2.418 206 I HA 0.499 4.669 4.170 0.000 0.000 0.287 206 I C 1.122 177.261 176.117 0.036 0.000 1.008 206 I CA 0.268 61.574 61.300 0.009 0.000 1.104 206 I CB 0.525 38.525 38.000 -0.001 0.000 1.264 206 I HN 1.047 nan 8.210 nan 0.000 0.438 207 G N 4.887 113.718 108.800 0.053 0.000 2.189 207 G HA2 -0.262 3.698 3.960 0.000 0.000 0.267 207 G HA3 -0.262 3.698 3.960 0.000 0.000 0.267 207 G C 0.417 175.350 174.900 0.056 0.000 0.975 207 G CA 0.187 45.322 45.100 0.059 0.000 0.644 207 G HN 0.675 nan 8.290 nan 0.000 0.537 208 Q N -0.232 119.603 119.800 0.057 0.000 2.526 208 Q HA 0.403 4.743 4.340 0.000 0.000 0.207 208 Q C 0.575 176.609 176.000 0.056 0.000 1.078 208 Q CA -0.013 55.828 55.803 0.062 0.000 1.041 208 Q CB 0.567 29.354 28.738 0.082 0.000 1.228 208 Q HN 0.390 nan 8.270 nan 0.000 0.603 209 K N 0.692 121.124 120.400 0.053 0.000 2.258 209 K HA 0.100 4.420 4.320 0.000 0.000 0.284 209 K C 0.691 177.318 176.600 0.045 0.000 1.051 209 K CA -0.136 56.178 56.287 0.044 0.000 0.923 209 K CB 0.723 33.246 32.500 0.038 0.000 1.046 209 K HN 0.469 nan 8.250 nan 0.000 0.474 210 R N 1.318 121.842 120.500 0.041 0.000 2.134 210 R HA -0.211 4.129 4.340 0.000 0.000 0.248 210 R C 1.961 178.280 176.300 0.032 0.000 1.143 210 R CA 2.590 58.713 56.100 0.038 0.000 0.957 210 R CB -0.252 30.067 30.300 0.032 0.000 0.867 210 R HN 0.892 nan 8.270 nan 0.000 0.441 211 S N -0.879 114.837 115.700 0.027 0.000 2.419 211 S HA -0.115 4.355 4.470 0.000 0.000 0.233 211 S C 1.857 176.470 174.600 0.021 0.000 1.016 211 S CA 1.674 59.886 58.200 0.020 0.000 0.974 211 S CB -0.329 62.882 63.200 0.018 0.000 0.786 211 S HN 0.263 nan 8.310 nan 0.000 0.492 212 T N 2.323 116.895 114.554 0.030 0.000 2.777 212 T HA 0.022 4.372 4.350 0.000 0.000 0.266 212 T C 1.910 176.628 174.700 0.030 0.000 1.040 212 T CA 1.290 63.409 62.100 0.032 0.000 1.141 212 T CB -0.484 68.411 68.868 0.045 0.000 0.868 212 T HN 0.320 nan 8.240 nan 0.000 0.444 213 V N 1.817 121.758 119.914 0.046 0.000 2.358 213 V HA -0.134 3.986 4.120 0.000 0.000 0.246 213 V C 2.895 178.996 176.094 0.012 0.000 1.047 213 V CA 1.576 63.907 62.300 0.052 0.000 1.035 213 V CB -1.262 30.612 31.823 0.086 0.000 0.658 213 V HN 0.506 nan 8.190 nan 0.000 0.452 214 A N -0.274 122.552 122.820 0.010 0.000 1.877 214 A HA -0.230 4.090 4.320 0.000 0.000 0.216 214 A C 2.220 179.792 177.584 -0.021 0.000 1.186 214 A CA 1.623 53.658 52.037 -0.004 0.000 0.620 214 A CB -0.482 18.519 19.000 0.001 0.000 0.822 214 A HN 0.541 nan 8.150 nan 0.000 0.443 215 Q N -0.449 119.341 119.800 -0.017 0.000 2.077 215 Q HA -0.181 4.159 4.340 0.000 0.000 0.206 215 Q C 2.117 178.086 176.000 -0.052 0.000 0.989 215 Q CA 1.124 56.911 55.803 -0.028 0.000 0.853 215 Q CB -0.878 27.851 28.738 -0.014 0.000 0.907 215 Q HN 0.532 nan 8.270 nan 0.000 0.418 216 L N 1.039 122.225 121.223 -0.062 0.000 1.971 216 L HA -0.163 4.177 4.340 0.000 0.000 0.215 216 L C 2.535 179.325 176.870 -0.133 0.000 1.072 216 L CA 2.185 56.952 54.840 -0.121 0.000 0.758 216 L CB -1.332 40.621 42.059 -0.176 0.000 0.889 216 L HN 0.266 nan 8.230 nan 0.000 0.433 217 V N -1.091 118.762 119.914 -0.101 0.000 2.594 217 V HA -0.213 3.907 4.120 0.000 0.000 0.253 217 V C 2.578 178.622 176.094 -0.083 0.000 1.069 217 V CA 1.970 64.216 62.300 -0.090 0.000 1.082 217 V CB -0.690 31.100 31.823 -0.054 0.000 0.680 217 V HN 0.487 nan 8.190 nan 0.000 0.469 218 K N 0.761 121.118 120.400 -0.072 0.000 2.148 218 K HA -0.209 4.111 4.320 0.000 0.000 0.204 218 K C 2.366 178.910 176.600 -0.092 0.000 1.050 218 K CA 1.786 58.031 56.287 -0.071 0.000 0.942 218 K CB -0.212 32.254 32.500 -0.057 0.000 0.724 218 K HN 0.559 nan 8.250 nan 0.000 0.446 219 R N 1.091 121.529 120.500 -0.105 0.000 2.075 219 R HA -0.011 4.329 4.340 0.000 0.000 0.232 219 R C 2.276 178.499 176.300 -0.129 0.000 1.126 219 R CA 1.294 57.315 56.100 -0.132 0.000 0.963 219 R CB -0.593 29.635 30.300 -0.120 0.000 0.858 219 R HN 0.206 nan 8.270 nan 0.000 0.435 220 L N -0.189 120.959 121.223 -0.126 0.000 2.093 220 L HA -0.087 4.253 4.340 0.000 0.000 0.208 220 L C 2.149 178.935 176.870 -0.141 0.000 1.085 220 L CA 1.698 56.454 54.840 -0.139 0.000 0.755 220 L CB -0.659 41.303 42.059 -0.161 0.000 0.904 220 L HN 0.288 nan 8.230 nan 0.000 0.435 221 T N -0.889 113.595 114.554 -0.118 0.000 2.674 221 T HA -0.180 4.170 4.350 0.000 0.000 0.265 221 T C 1.455 176.099 174.700 -0.093 0.000 1.039 221 T CA 1.528 63.568 62.100 -0.101 0.000 1.150 221 T CB -0.294 68.528 68.868 -0.077 0.000 0.864 221 T HN 0.277 nan 8.240 nan 0.000 0.427 222 D N 1.554 121.898 120.400 -0.093 0.000 2.158 222 D HA -0.061 4.579 4.640 0.000 0.000 0.197 222 D C 2.102 178.348 176.300 -0.089 0.000 0.995 222 D CA 1.264 55.210 54.000 -0.090 0.000 0.846 222 D CB -0.394 40.342 40.800 -0.106 0.000 0.941 222 D HN 0.451 nan 8.370 nan 0.000 0.456 223 A N 0.011 122.772 122.820 -0.099 0.000 2.208 223 A HA -0.019 4.301 4.320 0.000 0.000 0.209 223 A C 0.606 178.150 177.584 -0.068 0.000 1.161 223 A CA 0.875 52.865 52.037 -0.078 0.000 0.782 223 A CB 0.034 18.994 19.000 -0.067 0.000 0.816 223 A HN 0.116 nan 8.150 nan 0.000 0.477 224 D N -3.519 116.827 120.400 -0.090 0.000 2.873 224 D HA -0.171 4.469 4.640 0.000 0.000 0.228 224 D C 0.601 176.808 176.300 -0.156 0.000 1.122 224 D CA 1.069 55.016 54.000 -0.088 0.000 0.758 224 D CB -1.328 39.449 40.800 -0.039 0.000 1.094 224 D HN 0.504 nan 8.370 nan 0.000 0.434 225 A N -0.806 121.842 122.820 -0.288 0.000 2.288 225 A HA 0.229 4.549 4.320 0.000 0.000 0.216 225 A C 1.841 178.929 177.584 -0.827 0.000 1.199 225 A CA 0.778 52.382 52.037 -0.722 0.000 0.891 225 A CB -0.038 18.712 19.000 -0.416 0.000 0.923 225 A HN 0.261 nan 8.150 nan 0.000 0.500 226 M N 1.434 120.796 119.600 -0.397 0.000 2.279 226 M HA -0.134 4.346 4.480 0.000 0.000 0.264 226 M C 1.924 178.097 176.300 -0.212 0.000 1.062 226 M CA 1.859 57.004 55.300 -0.258 0.000 1.099 226 M CB -0.551 31.961 32.600 -0.146 0.000 1.394 226 M HN 0.526 nan 8.290 nan 0.000 0.426 227 K N -0.662 119.613 120.400 -0.207 0.000 2.280 227 K HA -0.172 4.148 4.320 0.000 0.000 0.202 227 K C 0.654 177.292 176.600 0.062 0.000 1.047 227 K CA 1.643 57.901 56.287 -0.048 0.000 0.942 227 K CB -0.718 31.788 32.500 0.010 0.000 0.739 227 K HN 0.583 nan 8.250 nan 0.000 0.457 228 Y N -0.460 119.879 120.300 0.064 0.000 2.660 228 Y HA 0.467 5.017 4.550 0.000 0.000 0.254 228 Y C -0.615 175.336 175.900 0.086 0.000 1.176 228 Y CA -1.146 57.016 58.100 0.104 0.000 1.195 228 Y CB -0.055 38.407 38.460 0.004 0.000 1.190 228 Y HN -0.208 nan 8.280 nan 0.000 0.535 229 T N 2.517 117.098 114.554 0.045 0.000 2.887 229 T HA 0.633 4.983 4.350 0.000 0.000 0.288 229 T C -0.560 174.180 174.700 0.066 0.000 1.021 229 T CA -0.480 61.655 62.100 0.058 0.000 1.000 229 T CB 2.081 70.921 68.868 -0.048 0.000 1.034 229 T HN 0.140 nan 8.240 nan 0.000 0.467 230 I N 2.056 122.678 120.570 0.087 0.000 2.404 230 I HA 0.493 4.663 4.170 0.000 0.000 0.293 230 I C -0.637 175.531 176.117 0.085 0.000 0.992 230 I CA -1.131 60.219 61.300 0.085 0.000 1.149 230 I CB 1.806 39.868 38.000 0.103 0.000 1.315 230 I HN 0.228 nan 8.210 nan 0.000 0.446 231 V N 7.076 127.038 119.914 0.080 0.000 2.357 231 V HA 0.326 4.446 4.120 0.000 0.000 0.284 231 V C -0.059 176.082 176.094 0.080 0.000 1.018 231 V CA -0.639 61.728 62.300 0.111 0.000 0.841 231 V CB 1.808 33.697 31.823 0.110 0.000 0.991 231 V HN 0.415 nan 8.190 nan 0.000 0.437 232 V N 4.079 124.032 119.914 0.065 0.000 2.357 232 V HA 0.492 4.612 4.120 0.000 0.000 0.284 232 V C 0.187 176.300 176.094 0.031 0.000 1.018 232 V CA -0.161 62.160 62.300 0.034 0.000 0.841 232 V CB 1.602 33.434 31.823 0.013 0.000 0.991 232 V HN 0.828 nan 8.190 nan 0.000 0.437 233 S N 4.119 119.843 115.700 0.040 0.000 2.596 233 S HA 0.765 5.235 4.470 0.000 0.000 0.318 233 S C -0.142 174.482 174.600 0.040 0.000 1.097 233 S CA -0.163 58.065 58.200 0.048 0.000 1.080 233 S CB 1.123 64.362 63.200 0.065 0.000 0.991 233 S HN 1.038 nan 8.310 nan 0.000 0.471 234 A N 4.469 127.313 122.820 0.040 0.000 2.802 234 A HA 0.579 4.899 4.320 0.000 0.000 0.344 234 A C 0.491 178.109 177.584 0.056 0.000 1.215 234 A CA -0.663 51.405 52.037 0.051 0.000 0.821 234 A CB -0.176 18.859 19.000 0.058 0.000 1.099 234 A HN 0.847 nan 8.150 nan 0.000 0.479 235 T N -1.359 113.228 114.554 0.055 0.000 2.754 235 T HA 0.500 4.850 4.350 0.000 0.000 0.286 235 T C 1.604 176.338 174.700 0.055 0.000 0.997 235 T CA 0.048 62.181 62.100 0.055 0.000 0.982 235 T CB 1.001 69.899 68.868 0.051 0.000 1.027 235 T HN 1.074 nan 8.240 nan 0.000 0.529 236 A N 0.884 123.735 122.820 0.051 0.000 2.042 236 A HA -0.103 4.217 4.320 0.000 0.000 0.222 236 A C 2.399 180.010 177.584 0.046 0.000 1.167 236 A CA 2.154 54.220 52.037 0.049 0.000 0.649 236 A CB -1.339 17.688 19.000 0.044 0.000 0.809 236 A HN 1.183 nan 8.150 nan 0.000 0.457 237 S N -0.998 114.728 115.700 0.043 0.000 2.556 237 S HA 0.143 4.613 4.470 0.000 0.000 0.216 237 S C -0.251 174.375 174.600 0.044 0.000 0.970 237 S CA -0.328 57.895 58.200 0.038 0.000 0.912 237 S CB -0.140 63.079 63.200 0.032 0.000 0.790 237 S HN 0.350 nan 8.310 nan 0.000 0.504 238 D N 2.868 123.301 120.400 0.055 0.000 2.302 238 D HA 0.581 5.221 4.640 0.000 0.000 0.248 238 D C 0.398 176.744 176.300 0.077 0.000 1.094 238 D CA 0.029 54.069 54.000 0.067 0.000 0.897 238 D CB 1.470 42.316 40.800 0.076 0.000 1.200 238 D HN 0.428 nan 8.370 nan 0.000 0.429 239 A N 1.663 124.532 122.820 0.082 0.000 2.547 239 A HA 0.315 4.635 4.320 0.000 0.000 0.233 239 A C 1.503 179.153 177.584 0.110 0.000 1.067 239 A CA 0.495 52.580 52.037 0.079 0.000 0.763 239 A CB 0.121 19.163 19.000 0.069 0.000 1.007 239 A HN 0.649 nan 8.150 nan 0.000 0.506 240 A N 2.540 125.412 122.820 0.086 0.000 1.884 240 A HA -0.113 4.207 4.320 0.000 0.000 0.219 240 A C -0.113 177.577 177.584 0.178 0.000 1.197 240 A CA 2.270 54.372 52.037 0.109 0.000 0.637 240 A CB -1.844 17.191 19.000 0.057 0.000 0.827 240 A HN 0.654 nan 8.150 nan 0.000 0.450 241 P HA -0.083 nan 4.420 nan 0.000 0.220 241 P C 1.414 179.033 177.300 0.531 0.000 1.148 241 P CA 0.735 63.992 63.100 0.262 0.000 0.803 241 P CB -0.107 31.589 31.700 -0.007 0.000 0.782 242 L N -0.865 120.605 121.223 0.412 0.000 2.056 242 L HA -0.167 4.173 4.340 0.000 0.000 0.207 242 L C 2.544 179.554 176.870 0.234 0.000 1.078 242 L CA 1.511 56.546 54.840 0.326 0.000 0.749 242 L CB -0.851 41.340 42.059 0.221 0.000 0.901 242 L HN -0.012 nan 8.230 nan 0.000 0.433 243 Q N -1.216 118.715 119.800 0.217 0.000 2.224 243 Q HA -0.238 4.102 4.340 0.000 0.000 0.203 243 Q C 1.986 178.115 176.000 0.216 0.000 0.970 243 Q CA 1.559 57.465 55.803 0.173 0.000 0.865 243 Q CB -0.183 28.644 28.738 0.149 0.000 0.922 243 Q HN 0.540 nan 8.270 nan 0.000 0.445 244 Y N 0.689 121.091 120.300 0.169 0.000 2.263 244 Y HA -0.176 4.374 4.550 0.000 0.000 0.292 244 Y C 1.864 177.900 175.900 0.227 0.000 1.130 244 Y CA 0.862 59.079 58.100 0.196 0.000 1.179 244 Y CB -0.055 38.555 38.460 0.251 0.000 0.998 244 Y HN 0.052 nan 8.280 nan 0.000 0.532 245 L N 0.805 122.200 121.223 0.285 0.000 2.072 245 L HA 0.050 4.390 4.340 0.000 0.000 0.205 245 L C 2.632 179.533 176.870 0.052 0.000 1.079 245 L CA 1.785 56.730 54.840 0.175 0.000 0.752 245 L CB -1.315 40.853 42.059 0.183 0.000 0.906 245 L HN 0.315 nan 8.230 nan 0.000 0.436 246 A N 0.500 123.334 122.820 0.024 0.000 1.923 246 A HA -0.287 4.033 4.320 0.000 0.000 0.222 246 A C -0.015 177.533 177.584 -0.060 0.000 1.258 246 A CA 2.779 54.808 52.037 -0.014 0.000 0.670 246 A CB -2.394 16.607 19.000 0.000 0.000 0.834 246 A HN 0.451 nan 8.150 nan 0.000 0.470 247 P HA -0.128 nan 4.420 nan 0.000 0.216 247 P C 0.971 178.077 177.300 -0.324 0.000 1.153 247 P CA 1.394 64.308 63.100 -0.309 0.000 0.848 247 P CB -0.253 31.008 31.700 -0.731 0.000 0.787 248 Y N -0.337 119.870 120.300 -0.155 0.000 2.242 248 Y HA -0.080 4.470 4.550 0.000 0.000 0.291 248 Y C 2.649 178.521 175.900 -0.047 0.000 1.137 248 Y CA 1.171 59.195 58.100 -0.127 0.000 1.181 248 Y CB -1.406 36.940 38.460 -0.192 0.000 0.989 248 Y HN -0.090 nan 8.280 nan 0.000 0.527 249 S N -0.042 115.708 115.700 0.084 0.000 2.348 249 S HA -0.181 4.289 4.470 0.000 0.000 0.221 249 S C 2.454 177.089 174.600 0.057 0.000 1.033 249 S CA 1.392 59.621 58.200 0.048 0.000 1.010 249 S CB -1.080 62.124 63.200 0.007 0.000 0.891 249 S HN 0.648 nan 8.310 nan 0.000 0.442 250 G N -0.070 108.766 108.800 0.060 0.000 2.432 250 G HA2 -0.256 3.704 3.960 0.000 0.000 0.219 250 G HA3 -0.256 3.704 3.960 0.000 0.000 0.219 250 G C 1.699 176.657 174.900 0.097 0.000 1.135 250 G CA 1.044 46.184 45.100 0.067 0.000 0.767 250 G HN 0.589 nan 8.290 nan 0.000 0.550 251 C N 0.502 119.885 119.300 0.138 0.000 2.425 251 C HA 0.015 4.475 4.460 0.000 0.000 0.277 251 C C 3.254 178.319 174.990 0.124 0.000 1.280 251 C CA 1.624 60.733 59.018 0.152 0.000 1.744 251 C CB -0.936 26.906 27.740 0.170 0.000 1.989 251 C HN 0.357 nan 8.230 nan 0.000 0.491 252 S N 0.613 116.378 115.700 0.108 0.000 2.368 252 S HA -0.138 4.332 4.470 0.000 0.000 0.224 252 S C 1.726 176.398 174.600 0.119 0.000 1.029 252 S CA 1.962 60.219 58.200 0.095 0.000 0.988 252 S CB -0.382 62.857 63.200 0.066 0.000 0.838 252 S HN 0.661 nan 8.310 nan 0.000 0.462 253 M N 0.992 120.663 119.600 0.119 0.000 2.202 253 M HA -0.086 4.394 4.480 0.000 0.000 0.262 253 M C 2.337 178.822 176.300 0.309 0.000 1.063 253 M CA 1.486 56.885 55.300 0.165 0.000 1.097 253 M CB -0.714 31.971 32.600 0.142 0.000 1.382 253 M HN 0.451 nan 8.290 nan 0.000 0.413 254 G N -0.044 108.904 108.800 0.247 0.000 2.403 254 G HA2 -0.141 3.820 3.960 0.000 0.000 0.216 254 G HA3 -0.141 3.820 3.960 0.000 0.000 0.216 254 G C 1.305 176.367 174.900 0.271 0.000 1.154 254 G CA 0.379 45.649 45.100 0.283 0.000 0.784 254 G HN 0.486 nan 8.290 nan 0.000 0.538 255 E N -0.516 119.792 120.200 0.179 0.000 2.204 255 E HA -0.149 4.201 4.350 0.000 0.000 0.195 255 E C 1.924 178.583 176.600 0.098 0.000 0.990 255 E CA 0.646 57.117 56.400 0.119 0.000 0.821 255 E CB -0.234 29.517 29.700 0.086 0.000 0.750 255 E HN 0.587 nan 8.360 nan 0.000 0.477 256 Y N 0.702 120.998 120.300 -0.006 0.000 2.128 256 Y HA -0.301 4.249 4.550 0.000 0.000 0.284 256 Y C 1.634 177.390 175.900 -0.239 0.000 1.154 256 Y CA 1.640 59.640 58.100 -0.166 0.000 1.149 256 Y CB -0.431 37.846 38.460 -0.306 0.000 0.976 256 Y HN -0.062 nan 8.280 nan 0.000 0.505 257 F N 0.249 120.067 119.950 -0.220 0.000 2.060 257 F HA -0.127 4.400 4.527 0.000 0.000 0.295 257 F C 2.817 178.464 175.800 -0.255 0.000 1.120 257 F CA 1.954 59.764 58.000 -0.317 0.000 1.205 257 F CB -0.948 37.992 39.000 -0.100 0.000 0.986 257 F HN -0.114 nan 8.300 nan 0.000 0.470 258 R N 0.507 121.041 120.500 0.057 0.000 2.153 258 R HA -0.229 4.111 4.340 0.000 0.000 0.252 258 R C 1.075 177.340 176.300 -0.059 0.000 1.158 258 R CA 2.297 58.393 56.100 -0.006 0.000 0.975 258 R CB -0.459 29.862 30.300 0.034 0.000 0.871 258 R HN 0.231 nan 8.270 nan 0.000 0.450 259 D N -0.822 119.528 120.400 -0.085 0.000 2.350 259 D HA 0.012 4.652 4.640 0.000 0.000 0.213 259 D C -0.054 176.168 176.300 -0.130 0.000 1.031 259 D CA 0.529 54.491 54.000 -0.063 0.000 0.861 259 D CB 0.192 40.979 40.800 -0.021 0.000 0.926 259 D HN 0.275 nan 8.370 nan 0.000 0.520 260 N N -0.395 118.151 118.700 -0.258 0.000 2.538 260 N HA 0.311 5.051 4.740 0.000 0.000 0.291 260 N C 0.724 176.107 175.510 -0.211 0.000 1.323 260 N CA -0.004 52.874 53.050 -0.287 0.000 0.934 260 N CB 1.136 39.294 38.487 -0.548 0.000 1.255 260 N HN -0.018 nan 8.380 nan 0.000 0.509 261 G N 0.201 108.908 108.800 -0.154 0.000 2.168 261 G HA2 -0.343 3.617 3.960 0.000 0.000 0.257 261 G HA3 -0.343 3.617 3.960 0.000 0.000 0.257 261 G C 0.146 174.929 174.900 -0.196 0.000 0.997 261 G CA 0.628 45.645 45.100 -0.137 0.000 0.708 261 G HN 0.359 nan 8.290 nan 0.000 0.520 262 K N -1.125 119.141 120.400 -0.225 0.000 2.316 262 K HA 0.693 5.013 4.320 0.000 0.000 0.234 262 K C -0.698 175.659 176.600 -0.405 0.000 1.054 262 K CA -0.977 55.204 56.287 -0.178 0.000 0.879 262 K CB 1.085 33.681 32.500 0.160 0.000 1.252 262 K HN 0.338 nan 8.250 nan 0.000 0.471 263 H N -0.702 118.469 119.070 0.169 0.000 2.589 263 H HA 0.561 5.118 4.556 0.000 0.000 0.351 263 H C -1.188 174.175 175.328 0.058 0.000 1.074 263 H CA -0.711 55.385 56.048 0.081 0.000 1.203 263 H CB 2.007 31.767 29.762 -0.003 0.000 1.558 263 H HN 0.658 nan 8.280 nan 0.000 0.522 264 A N 2.439 125.325 122.820 0.111 0.000 2.423 264 A HA 0.672 4.992 4.320 0.000 0.000 0.304 264 A C -1.620 175.961 177.584 -0.005 0.000 1.104 264 A CA -0.711 51.316 52.037 -0.017 0.000 0.757 264 A CB 1.404 20.355 19.000 -0.082 0.000 1.313 264 A HN 0.535 nan 8.150 nan 0.000 0.423 265 L N 1.663 122.863 121.223 -0.038 0.000 2.356 265 L HA 0.803 5.143 4.340 0.000 0.000 0.277 265 L C -1.074 175.751 176.870 -0.075 0.000 0.996 265 L CA -0.390 54.425 54.840 -0.041 0.000 0.822 265 L CB 1.229 43.272 42.059 -0.026 0.000 1.256 265 L HN 0.699 nan 8.230 nan 0.000 0.413 266 I N 5.297 125.782 120.570 -0.141 0.000 2.569 266 I HA 0.570 4.741 4.170 0.000 0.000 0.296 266 I C -1.234 174.638 176.117 -0.408 0.000 1.028 266 I CA -0.622 60.502 61.300 -0.294 0.000 1.082 266 I CB 1.637 39.389 38.000 -0.412 0.000 1.264 266 I HN 0.628 nan 8.210 nan 0.000 0.429 267 I N 7.269 127.578 120.570 -0.434 0.000 2.436 267 I HA 0.264 4.434 4.170 0.000 0.000 0.289 267 I C -1.438 174.350 176.117 -0.548 0.000 1.010 267 I CA -0.509 60.565 61.300 -0.377 0.000 1.098 267 I CB 1.462 39.400 38.000 -0.103 0.000 1.266 267 I HN 0.401 nan 8.210 nan 0.000 0.434 268 Y N 3.899 124.070 120.300 -0.215 0.000 2.593 268 Y HA 0.346 4.896 4.550 0.000 0.000 0.331 268 Y C -0.178 175.575 175.900 -0.245 0.000 0.986 268 Y CA -0.969 56.975 58.100 -0.260 0.000 1.262 268 Y CB 0.471 38.783 38.460 -0.247 0.000 1.098 268 Y HN 0.385 nan 8.280 nan 0.000 0.506 269 D N 3.465 123.743 120.400 -0.203 0.000 2.464 269 D HA 0.221 4.861 4.640 0.000 0.000 0.243 269 D C -1.154 175.100 176.300 -0.077 0.000 1.104 269 D CA -0.356 53.565 54.000 -0.132 0.000 0.883 269 D CB 0.353 41.062 40.800 -0.153 0.000 1.050 269 D HN 0.665 nan 8.370 nan 0.000 0.524 270 D N 0.552 120.934 120.400 -0.030 0.000 2.531 270 D HA 0.240 4.880 4.640 0.000 0.000 0.244 270 D C 0.898 177.171 176.300 -0.045 0.000 1.090 270 D CA -0.733 53.249 54.000 -0.030 0.000 0.989 270 D CB 0.973 41.770 40.800 -0.005 0.000 1.433 270 D HN 0.107 nan 8.370 nan 0.000 0.492 271 L N 0.094 121.255 121.223 -0.102 0.000 2.395 271 L HA -0.001 4.339 4.340 0.000 0.000 0.218 271 L C 1.860 178.731 176.870 0.002 0.000 1.130 271 L CA 0.430 55.171 54.840 -0.165 0.000 0.826 271 L CB -0.370 41.356 42.059 -0.555 0.000 0.941 271 L HN 0.392 nan 8.230 nan 0.000 0.451 272 S N 0.317 116.031 115.700 0.024 0.000 2.359 272 S HA -0.173 4.297 4.470 0.000 0.000 0.224 272 S C 1.949 176.631 174.600 0.137 0.000 1.035 272 S CA 1.359 59.613 58.200 0.089 0.000 1.018 272 S CB -0.072 63.174 63.200 0.075 0.000 0.876 272 S HN 0.407 nan 8.310 nan 0.000 0.448 273 K N 0.893 121.356 120.400 0.104 0.000 2.155 273 K HA -0.022 4.298 4.320 0.000 0.000 0.203 273 K C 2.381 179.066 176.600 0.141 0.000 1.052 273 K CA 0.636 56.992 56.287 0.115 0.000 0.948 273 K CB -0.133 32.415 32.500 0.080 0.000 0.728 273 K HN 0.349 nan 8.250 nan 0.000 0.448 274 Q N 0.787 120.663 119.800 0.127 0.000 2.167 274 Q HA -0.115 4.225 4.340 0.000 0.000 0.202 274 Q C 1.937 178.092 176.000 0.259 0.000 0.970 274 Q CA 1.325 57.222 55.803 0.157 0.000 0.855 274 Q CB 0.013 28.791 28.738 0.067 0.000 0.911 274 Q HN 0.305 nan 8.270 nan 0.000 0.438 275 A N -0.116 122.872 122.820 0.280 0.000 1.968 275 A HA -0.078 4.242 4.320 0.000 0.000 0.217 275 A C 2.172 180.029 177.584 0.455 0.000 1.169 275 A CA 1.132 53.370 52.037 0.335 0.000 0.638 275 A CB -0.437 18.666 19.000 0.173 0.000 0.812 275 A HN 0.269 nan 8.150 nan 0.000 0.446 276 V N -0.172 119.958 119.914 0.359 0.000 2.427 276 V HA -0.224 3.896 4.120 0.000 0.000 0.248 276 V C 3.020 179.218 176.094 0.174 0.000 1.051 276 V CA 1.844 64.291 62.300 0.246 0.000 1.048 276 V CB -1.071 30.851 31.823 0.165 0.000 0.666 276 V HN 0.599 nan 8.190 nan 0.000 0.456 277 A N -0.843 122.100 122.820 0.204 0.000 1.898 277 A HA -0.242 4.078 4.320 0.000 0.000 0.216 277 A C 2.174 179.894 177.584 0.227 0.000 1.181 277 A CA 1.879 54.029 52.037 0.187 0.000 0.620 277 A CB -0.742 18.385 19.000 0.212 0.000 0.819 277 A HN 0.605 nan 8.150 nan 0.000 0.442 278 Y N 0.876 121.294 120.300 0.197 0.000 2.097 278 Y HA -0.262 4.288 4.550 0.000 0.000 0.282 278 Y C 2.476 178.431 175.900 0.092 0.000 1.152 278 Y CA 2.162 60.370 58.100 0.179 0.000 1.136 278 Y CB -0.643 37.988 38.460 0.285 0.000 0.975 278 Y HN 0.371 nan 8.280 nan 0.000 0.498 279 R N 0.423 120.929 120.500 0.009 0.000 2.103 279 R HA -0.295 4.045 4.340 0.000 0.000 0.242 279 R C 2.467 178.676 176.300 -0.152 0.000 1.142 279 R CA 2.166 58.183 56.100 -0.139 0.000 0.960 279 R CB -0.555 29.677 30.300 -0.113 0.000 0.858 279 R HN 0.656 nan 8.270 nan 0.000 0.439 280 Q N 0.358 120.115 119.800 -0.072 0.000 1.993 280 Q HA -0.259 4.082 4.340 0.000 0.000 0.202 280 Q C 2.252 178.194 176.000 -0.096 0.000 0.984 280 Q CA 2.181 57.943 55.803 -0.068 0.000 0.837 280 Q CB -0.250 28.476 28.738 -0.021 0.000 0.902 280 Q HN 0.506 nan 8.270 nan 0.000 0.423 281 M N -0.007 119.537 119.600 -0.094 0.000 2.106 281 M HA -0.204 4.276 4.480 0.000 0.000 0.259 281 M C 2.304 178.499 176.300 -0.176 0.000 1.068 281 M CA 2.086 57.309 55.300 -0.128 0.000 1.100 281 M CB -0.191 32.322 32.600 -0.145 0.000 1.351 281 M HN 0.337 nan 8.290 nan 0.000 0.404 282 S N 0.336 115.872 115.700 -0.272 0.000 2.368 282 S HA -0.094 4.376 4.470 0.000 0.000 0.224 282 S C 1.778 176.270 174.600 -0.180 0.000 1.029 282 S CA 1.117 59.143 58.200 -0.291 0.000 0.988 282 S CB -0.370 62.505 63.200 -0.542 0.000 0.838 282 S HN 0.599 nan 8.310 nan 0.000 0.462 283 L N 0.907 122.032 121.223 -0.163 0.000 2.093 283 L HA -0.015 4.325 4.340 0.000 0.000 0.208 283 L C 2.303 179.122 176.870 -0.086 0.000 1.085 283 L CA 0.939 55.713 54.840 -0.111 0.000 0.755 283 L CB -0.422 41.575 42.059 -0.104 0.000 0.904 283 L HN 0.345 nan 8.230 nan 0.000 0.435 284 L N -0.679 120.492 121.223 -0.088 0.000 2.291 284 L HA -0.161 4.179 4.340 0.000 0.000 0.214 284 L C 2.100 178.931 176.870 -0.064 0.000 1.120 284 L CA 0.691 55.490 54.840 -0.069 0.000 0.799 284 L CB -0.180 41.838 42.059 -0.067 0.000 0.925 284 L HN 0.292 nan 8.230 nan 0.000 0.446 285 L N -0.192 120.986 121.223 -0.075 0.000 2.599 285 L HA 0.041 4.381 4.340 0.000 0.000 0.230 285 L C 0.644 177.485 176.870 -0.047 0.000 1.141 285 L CA -0.025 54.779 54.840 -0.060 0.000 0.877 285 L CB -0.045 41.973 42.059 -0.067 0.000 1.009 285 L HN 0.302 nan 8.230 nan 0.000 0.447 286 R N -0.758 119.711 120.500 -0.050 0.000 3.936 286 R HA -0.160 4.180 4.340 0.000 0.000 0.366 286 R C -0.015 176.263 176.300 -0.037 0.000 1.158 286 R CA 0.512 56.588 56.100 -0.039 0.000 0.969 286 R CB -2.219 28.065 30.300 -0.028 0.000 1.504 286 R HN 0.346 nan 8.270 nan 0.000 0.538 287 R N 1.927 122.398 120.500 -0.048 0.000 2.316 287 R HA 0.204 4.544 4.340 0.000 0.000 0.314 287 R C -1.983 174.294 176.300 -0.037 0.000 1.069 287 R CA -1.479 54.599 56.100 -0.036 0.000 0.959 287 R CB 0.414 30.689 30.300 -0.042 0.000 0.987 287 R HN -0.120 nan 8.270 nan 0.000 0.446 288 P HA -0.018 nan 4.420 nan 0.000 0.261 288 P C -2.221 175.070 177.300 -0.015 0.000 1.183 288 P CA -0.791 62.298 63.100 -0.017 0.000 0.761 288 P CB -0.023 31.673 31.700 -0.007 0.000 0.785 289 P HA 0.124 nan 4.420 nan 0.000 0.269 289 P C 0.359 177.666 177.300 0.012 0.000 1.217 289 P CA 0.212 63.303 63.100 -0.015 0.000 0.783 289 P CB 0.746 32.427 31.700 -0.032 0.000 0.898 290 G N 0.698 109.525 108.800 0.045 0.000 3.211 290 G HA2 0.380 4.340 3.960 0.000 0.000 0.167 290 G HA3 0.380 4.340 3.960 0.000 0.000 0.167 290 G C -0.613 174.319 174.900 0.053 0.000 1.212 290 G CA -0.866 44.269 45.100 0.059 0.000 0.928 290 G HN 0.593 nan 8.290 nan 0.000 0.607 291 R N 0.394 120.915 120.500 0.035 0.000 2.585 291 R HA 0.083 4.423 4.340 0.000 0.000 0.275 291 R C 0.118 176.468 176.300 0.084 0.000 1.018 291 R CA 0.987 57.049 56.100 -0.063 0.000 1.072 291 R CB -0.191 29.893 30.300 -0.361 0.000 0.953 291 R HN 0.693 nan 8.270 nan 0.000 0.419 292 E N 2.502 122.732 120.200 0.050 0.000 2.660 292 E HA -0.348 4.002 4.350 0.000 0.000 0.260 292 E C 0.358 176.993 176.600 0.059 0.000 1.122 292 E CA 0.567 57.045 56.400 0.130 0.000 0.755 292 E CB -1.101 28.792 29.700 0.322 0.000 1.345 292 E HN 0.874 nan 8.360 nan 0.000 0.421 293 A N -2.806 120.019 122.820 0.008 0.000 3.396 293 A HA -0.311 4.009 4.320 0.000 0.000 0.267 293 A C 0.128 177.646 177.584 -0.110 0.000 1.139 293 A CA 1.774 53.762 52.037 -0.082 0.000 1.115 293 A CB -1.884 17.022 19.000 -0.156 0.000 1.133 293 A HN 0.425 nan 8.150 nan 0.000 0.920 294 Y N 0.101 120.444 120.300 0.071 0.000 2.300 294 Y HA 0.463 5.013 4.550 0.000 0.000 0.328 294 Y C -1.667 174.266 175.900 0.054 0.000 1.270 294 Y CA -1.548 56.598 58.100 0.077 0.000 1.352 294 Y CB 0.090 38.652 38.460 0.170 0.000 1.286 294 Y HN 0.119 nan 8.280 nan 0.000 0.536 295 P HA -0.051 nan 4.420 nan 0.000 0.265 295 P C 0.675 178.104 177.300 0.214 0.000 1.187 295 P CA 0.576 63.733 63.100 0.096 0.000 0.766 295 P CB 0.575 32.255 31.700 -0.033 0.000 0.820 296 G N 1.994 110.895 108.800 0.169 0.000 2.586 296 G HA2 -0.183 3.777 3.960 0.000 0.000 0.215 296 G HA3 -0.183 3.777 3.960 0.000 0.000 0.215 296 G C 0.379 175.419 174.900 0.234 0.000 1.128 296 G CA 0.441 45.651 45.100 0.183 0.000 0.774 296 G HN 0.621 nan 8.290 nan 0.000 0.543 297 D N 0.281 120.849 120.400 0.280 0.000 2.772 297 D HA 0.067 4.707 4.640 0.000 0.000 0.272 297 D C 1.883 178.373 176.300 0.316 0.000 1.314 297 D CA 0.034 54.227 54.000 0.322 0.000 0.835 297 D CB -0.162 40.846 40.800 0.346 0.000 1.080 297 D HN 0.186 nan 8.370 nan 0.000 0.482 298 V N -1.827 118.246 119.914 0.265 0.000 2.392 298 V HA -0.198 3.922 4.120 0.000 0.000 0.249 298 V C 2.263 178.311 176.094 -0.077 0.000 1.059 298 V CA 1.312 63.658 62.300 0.077 0.000 1.051 298 V CB -1.471 30.305 31.823 -0.077 0.000 0.658 298 V HN 0.230 nan 8.190 nan 0.000 0.455 299 F N 1.313 121.224 119.950 -0.065 0.000 2.069 299 F HA -0.236 4.291 4.527 0.000 0.000 0.298 299 F C 2.387 178.201 175.800 0.024 0.000 1.113 299 F CA 2.158 60.129 58.000 -0.048 0.000 1.214 299 F CB -0.801 38.203 39.000 0.007 0.000 0.978 299 F HN 0.194 nan 8.300 nan 0.000 0.474 300 Y N 0.828 120.987 120.300 -0.236 0.000 2.315 300 Y HA -0.191 4.359 4.550 0.000 0.000 0.288 300 Y C 2.113 177.837 175.900 -0.293 0.000 1.154 300 Y CA 1.528 59.432 58.100 -0.326 0.000 1.229 300 Y CB -0.882 37.560 38.460 -0.031 0.000 0.980 300 Y HN 0.293 nan 8.280 nan 0.000 0.540 301 L N -0.252 120.752 121.223 -0.364 0.000 2.013 301 L HA -0.273 4.067 4.340 0.000 0.000 0.212 301 L C 2.160 178.813 176.870 -0.362 0.000 1.073 301 L CA 2.447 56.997 54.840 -0.482 0.000 0.753 301 L CB -0.749 40.957 42.059 -0.589 0.000 0.890 301 L HN 0.374 nan 8.230 nan 0.000 0.432 302 H N -2.187 116.669 119.070 -0.355 0.000 2.486 302 H HA 0.014 4.570 4.556 0.000 0.000 0.287 302 H C 2.369 177.468 175.328 -0.381 0.000 1.010 302 H CA 0.678 56.509 56.048 -0.362 0.000 1.324 302 H CB 0.124 29.712 29.762 -0.289 0.000 1.446 302 H HN 0.516 nan 8.280 nan 0.000 0.537 303 S N 1.359 116.812 115.700 -0.411 0.000 2.356 303 S HA -0.246 4.224 4.470 0.000 0.000 0.223 303 S C 2.121 176.585 174.600 -0.227 0.000 1.032 303 S CA 1.212 59.163 58.200 -0.415 0.000 1.005 303 S CB -0.194 62.486 63.200 -0.866 0.000 0.867 303 S HN 0.333 nan 8.310 nan 0.000 0.449 304 R N 0.532 120.881 120.500 -0.252 0.000 2.096 304 R HA -0.127 4.214 4.340 0.000 0.000 0.240 304 R C 2.467 178.704 176.300 -0.105 0.000 1.139 304 R CA 1.816 57.803 56.100 -0.189 0.000 0.952 304 R CB -0.617 29.408 30.300 -0.459 0.000 0.854 304 R HN 0.528 nan 8.270 nan 0.000 0.436 305 L N 0.544 121.699 121.223 -0.114 0.000 2.027 305 L HA -0.067 4.273 4.340 0.000 0.000 0.206 305 L C 1.923 178.722 176.870 -0.117 0.000 1.074 305 L CA 1.658 56.422 54.840 -0.127 0.000 0.745 305 L CB -0.213 41.607 42.059 -0.398 0.000 0.898 305 L HN 0.243 nan 8.230 nan 0.000 0.433 306 L N -0.800 120.347 121.223 -0.126 0.000 2.240 306 L HA -0.024 4.317 4.340 0.000 0.000 0.211 306 L C 2.438 179.299 176.870 -0.015 0.000 1.106 306 L CA 0.412 55.220 54.840 -0.053 0.000 0.793 306 L CB -0.590 41.427 42.059 -0.071 0.000 0.927 306 L HN 0.262 nan 8.230 nan 0.000 0.446 307 E N 0.616 120.799 120.200 -0.028 0.000 2.265 307 E HA -0.190 4.160 4.350 0.000 0.000 0.196 307 E C 2.108 178.708 176.600 0.002 0.000 0.996 307 E CA 0.813 57.208 56.400 -0.008 0.000 0.832 307 E CB 0.029 29.726 29.700 -0.006 0.000 0.756 307 E HN 0.474 nan 8.360 nan 0.000 0.491 308 R N 0.361 120.866 120.500 0.008 0.000 2.235 308 R HA 0.045 4.385 4.340 0.000 0.000 0.213 308 R C 0.882 177.203 176.300 0.034 0.000 1.059 308 R CA 0.434 56.548 56.100 0.023 0.000 0.997 308 R CB 0.065 30.389 30.300 0.039 0.000 0.884 308 R HN -0.076 nan 8.270 nan 0.000 0.462 309 A N 1.170 124.014 122.820 0.040 0.000 2.404 309 A HA 0.604 4.924 4.320 0.000 0.000 0.273 309 A C -0.235 177.362 177.584 0.022 0.000 1.144 309 A CA -0.001 52.060 52.037 0.040 0.000 0.806 309 A CB 0.370 19.398 19.000 0.047 0.000 1.080 309 A HN 0.294 nan 8.150 nan 0.000 0.509 310 A N 2.481 125.313 122.820 0.020 0.000 2.599 310 A HA 0.735 5.055 4.320 0.000 0.000 0.290 310 A C -0.786 176.808 177.584 0.017 0.000 1.101 310 A CA -0.785 51.256 52.037 0.007 0.000 0.674 310 A CB 1.039 20.030 19.000 -0.015 0.000 1.277 310 A HN 0.838 nan 8.150 nan 0.000 0.419 311 K N 1.335 121.742 120.400 0.012 0.000 2.240 311 K HA 0.613 4.933 4.320 0.000 0.000 0.271 311 K C -0.611 175.995 176.600 0.010 0.000 1.018 311 K CA -0.210 56.094 56.287 0.029 0.000 0.874 311 K CB 0.476 32.992 32.500 0.027 0.000 1.098 311 K HN 0.585 nan 8.250 nan 0.000 0.458 312 M N 2.972 122.584 119.600 0.022 0.000 2.342 312 M HA 0.256 4.736 4.480 0.000 0.000 0.332 312 M C 0.148 176.484 176.300 0.060 0.000 1.166 312 M CA -0.910 54.398 55.300 0.013 0.000 1.086 312 M CB 0.753 33.372 32.600 0.032 0.000 1.541 312 M HN 0.778 nan 8.290 nan 0.000 0.462 313 N N 0.672 119.426 118.700 0.090 0.000 2.408 313 N HA 0.111 4.851 4.740 0.000 0.000 0.260 313 N C 0.054 175.646 175.510 0.137 0.000 1.242 313 N CA -0.230 52.888 53.050 0.114 0.000 0.959 313 N CB 0.536 39.099 38.487 0.126 0.000 1.201 313 N HN 0.403 nan 8.380 nan 0.000 0.511 314 D N -0.006 120.449 120.400 0.092 0.000 2.123 314 D HA -0.152 4.488 4.640 0.000 0.000 0.196 314 D C 1.698 178.029 176.300 0.052 0.000 0.992 314 D CA 1.927 55.965 54.000 0.063 0.000 0.833 314 D CB -0.750 40.073 40.800 0.039 0.000 0.954 314 D HN 0.734 nan 8.370 nan 0.000 0.455 315 A N -0.117 122.740 122.820 0.063 0.000 2.024 315 A HA -0.162 4.158 4.320 0.000 0.000 0.220 315 A C 1.597 179.101 177.584 -0.132 0.000 1.164 315 A CA 0.964 52.986 52.037 -0.025 0.000 0.643 315 A CB -0.709 18.288 19.000 -0.004 0.000 0.806 315 A HN 0.198 nan 8.150 nan 0.000 0.451 316 F N -1.527 118.416 119.950 -0.013 0.000 2.641 316 F HA 0.397 4.924 4.527 0.000 0.000 0.302 316 F C 1.712 177.492 175.800 -0.033 0.000 1.098 316 F CA 0.703 58.691 58.000 -0.020 0.000 1.318 316 F CB 0.742 39.733 39.000 -0.015 0.000 1.035 316 F HN 0.358 nan 8.300 nan 0.000 0.551 317 G N -0.526 108.318 108.800 0.073 0.000 2.259 317 G HA2 -0.152 3.808 3.960 0.000 0.000 0.217 317 G HA3 -0.152 3.808 3.960 0.000 0.000 0.217 317 G C 1.231 176.143 174.900 0.019 0.000 1.001 317 G CA -0.179 44.932 45.100 0.019 0.000 0.627 317 G HN 0.976 nan 8.290 nan 0.000 0.501 318 G N -0.141 108.693 108.800 0.058 0.000 2.168 318 G HA2 0.162 4.122 3.960 0.000 0.000 0.257 318 G HA3 0.162 4.122 3.960 0.000 0.000 0.257 318 G C 1.473 176.386 174.900 0.021 0.000 0.997 318 G CA 1.193 46.328 45.100 0.059 0.000 0.708 318 G HN 2.071 nan 8.290 nan 0.000 0.520 319 G N -0.754 108.003 108.800 -0.073 0.000 2.553 319 G HA2 0.803 4.763 3.960 0.000 0.000 0.278 319 G HA3 0.803 4.763 3.960 0.000 0.000 0.278 319 G C 0.296 175.135 174.900 -0.101 0.000 1.349 319 G CA 0.876 45.812 45.100 -0.272 0.000 1.037 319 G HN 1.944 nan 8.290 nan 0.000 0.508 320 S N -2.170 113.476 115.700 -0.090 0.000 2.595 320 S HA 0.538 5.008 4.470 0.000 0.000 0.270 320 S C -1.789 172.865 174.600 0.090 0.000 1.145 320 S CA -0.758 57.491 58.200 0.083 0.000 0.825 320 S CB 1.618 64.952 63.200 0.224 0.000 1.107 320 S HN 1.358 nan 8.310 nan 0.000 0.461 321 L N 1.467 122.733 121.223 0.073 0.000 2.406 321 L HA 0.784 5.124 4.340 0.000 0.000 0.272 321 L C -0.833 176.062 176.870 0.041 0.000 0.980 321 L CA 0.257 55.134 54.840 0.062 0.000 0.831 321 L CB 1.939 44.036 42.059 0.064 0.000 1.253 321 L HN 0.926 nan 8.230 nan 0.000 0.406 322 T N 4.107 118.674 114.554 0.022 0.000 2.824 322 T HA 0.881 5.231 4.350 0.000 0.000 0.280 322 T C -0.454 174.231 174.700 -0.025 0.000 0.995 322 T CA -0.255 61.846 62.100 0.002 0.000 1.009 322 T CB 1.531 70.394 68.868 -0.008 0.000 0.955 322 T HN 0.819 nan 8.240 nan 0.000 0.452 323 A N 2.962 125.772 122.820 -0.016 0.000 2.371 323 A HA 0.801 5.121 4.320 0.000 0.000 0.311 323 A C -0.876 176.695 177.584 -0.023 0.000 1.068 323 A CA -0.754 51.259 52.037 -0.039 0.000 0.744 323 A CB 0.839 19.878 19.000 0.065 0.000 1.239 323 A HN 0.838 nan 8.150 nan 0.000 0.435 324 L N 3.939 125.124 121.223 -0.063 0.000 2.457 324 L HA 0.341 4.681 4.340 0.000 0.000 0.252 324 L C -2.413 174.450 176.870 -0.012 0.000 1.132 324 L CA -1.726 53.097 54.840 -0.027 0.000 0.938 324 L CB 1.624 43.667 42.059 -0.027 0.000 1.246 324 L HN 0.477 nan 8.230 nan 0.000 0.476 325 P HA 0.179 nan 4.420 nan 0.000 0.274 325 P C -0.611 176.690 177.300 0.002 0.000 1.237 325 P CA -0.188 62.957 63.100 0.075 0.000 0.793 325 P CB 1.868 33.573 31.700 0.008 0.000 0.977 326 V N 3.272 123.175 119.914 -0.018 0.000 2.540 326 V HA 0.409 4.529 4.120 0.000 0.000 0.302 326 V C 0.106 176.180 176.094 -0.033 0.000 1.035 326 V CA -0.573 61.719 62.300 -0.014 0.000 0.873 326 V CB 1.856 33.679 31.823 0.001 0.000 0.992 326 V HN 0.399 nan 8.190 nan 0.000 0.428 327 I N 3.324 123.888 120.570 -0.010 0.000 2.465 327 I HA 0.446 4.616 4.170 0.000 0.000 0.291 327 I C -0.022 176.114 176.117 0.032 0.000 1.014 327 I CA -0.411 60.887 61.300 -0.004 0.000 1.093 327 I CB 2.081 40.074 38.000 -0.011 0.000 1.267 327 I HN 0.774 nan 8.210 nan 0.000 0.431 328 E N 5.086 125.308 120.200 0.037 0.000 2.115 328 E HA 0.351 4.701 4.350 0.000 0.000 0.282 328 E C -0.414 176.226 176.600 0.067 0.000 0.987 328 E CA -0.384 56.046 56.400 0.049 0.000 0.797 328 E CB 1.117 30.843 29.700 0.043 0.000 1.086 328 E HN 0.707 nan 8.360 nan 0.000 0.397 329 T N 1.989 116.595 114.554 0.087 0.000 2.847 329 T HA 0.271 4.622 4.350 0.000 0.000 0.279 329 T C 0.070 174.822 174.700 0.087 0.000 0.984 329 T CA -0.911 61.249 62.100 0.100 0.000 0.988 329 T CB 1.337 70.301 68.868 0.160 0.000 1.040 329 T HN 0.349 nan 8.240 nan 0.000 0.528 330 Q N 0.431 120.284 119.800 0.088 0.000 2.357 330 Q HA 0.530 4.871 4.340 0.000 0.000 0.266 330 Q C 0.281 176.329 176.000 0.080 0.000 1.021 330 Q CA -0.100 55.750 55.803 0.078 0.000 0.784 330 Q CB 1.198 29.983 28.738 0.077 0.000 1.243 330 Q HN 1.235 nan 8.270 nan 0.000 0.465 331 A N 2.166 125.031 122.820 0.076 0.000 2.925 331 A HA -0.128 4.192 4.320 0.000 0.000 0.265 331 A C 1.023 178.669 177.584 0.103 0.000 1.419 331 A CA 1.237 53.321 52.037 0.078 0.000 0.807 331 A CB -2.141 16.900 19.000 0.068 0.000 1.043 331 A HN 1.549 nan 8.150 nan 0.000 0.600 332 G N -1.091 107.791 108.800 0.136 0.000 2.198 332 G HA2 -0.167 3.793 3.960 0.000 0.000 0.260 332 G HA3 -0.167 3.793 3.960 0.000 0.000 0.260 332 G C -0.084 174.953 174.900 0.230 0.000 1.025 332 G CA 1.047 46.288 45.100 0.234 0.000 0.769 332 G HN 1.658 nan 8.290 nan 0.000 0.507 333 D N 0.533 121.013 120.400 0.133 0.000 2.563 333 D HA 0.408 5.048 4.640 0.000 0.000 0.222 333 D C 1.909 178.203 176.300 -0.009 0.000 1.145 333 D CA 0.122 54.157 54.000 0.059 0.000 1.001 333 D CB 0.282 41.117 40.800 0.058 0.000 1.049 333 D HN 0.304 nan 8.370 nan 0.000 0.515 334 V N 0.927 120.748 119.914 -0.155 0.000 2.720 334 V HA -0.154 3.966 4.120 0.000 0.000 0.256 334 V C 1.994 177.992 176.094 -0.161 0.000 1.082 334 V CA 1.148 63.271 62.300 -0.295 0.000 1.101 334 V CB -0.671 30.716 31.823 -0.728 0.000 0.693 334 V HN 0.290 nan 8.190 nan 0.000 0.479 335 S N 0.141 115.779 115.700 -0.103 0.000 2.561 335 S HA 0.416 4.886 4.470 0.000 0.000 0.225 335 S C 1.299 175.900 174.600 0.002 0.000 0.977 335 S CA 0.441 58.611 58.200 -0.050 0.000 0.926 335 S CB -0.330 62.850 63.200 -0.034 0.000 0.769 335 S HN 0.800 nan 8.310 nan 0.000 0.533 336 A N 0.667 123.499 122.820 0.021 0.000 2.325 336 A HA 0.320 4.640 4.320 0.000 0.000 0.260 336 A C 0.967 178.617 177.584 0.111 0.000 1.133 336 A CA -0.061 52.022 52.037 0.077 0.000 0.801 336 A CB -0.312 18.742 19.000 0.089 0.000 1.092 336 A HN 0.343 nan 8.150 nan 0.000 0.504 337 Y N -0.026 120.281 120.300 0.012 0.000 2.070 337 Y HA -0.196 4.354 4.550 0.000 0.000 0.279 337 Y C 1.982 177.879 175.900 -0.003 0.000 1.134 337 Y CA 2.113 60.218 58.100 0.008 0.000 1.113 337 Y CB -0.326 38.149 38.460 0.024 0.000 0.981 337 Y HN 0.424 nan 8.280 nan 0.000 0.487 338 I N 0.927 121.378 120.570 -0.198 0.000 2.118 338 I HA -0.239 3.931 4.170 0.000 0.000 0.241 338 I C -0.336 175.683 176.117 -0.162 0.000 1.070 338 I CA 1.771 62.880 61.300 -0.319 0.000 1.327 338 I CB -2.831 35.037 38.000 -0.221 0.000 1.034 338 I HN 0.231 nan 8.210 nan 0.000 0.405 339 P HA -0.124 nan 4.420 nan 0.000 0.215 339 P C 1.815 179.086 177.300 -0.049 0.000 1.157 339 P CA 2.295 65.368 63.100 -0.044 0.000 0.868 339 P CB -0.333 31.349 31.700 -0.029 0.000 0.788 340 T N -3.744 110.784 114.554 -0.045 0.000 2.867 340 T HA -0.105 4.245 4.350 0.000 0.000 0.268 340 T C 1.762 176.449 174.700 -0.020 0.000 1.057 340 T CA 1.091 63.174 62.100 -0.029 0.000 1.136 340 T CB -1.120 67.744 68.868 -0.006 0.000 0.874 340 T HN -0.064 nan 8.240 nan 0.000 0.466 341 N N 1.631 120.294 118.700 -0.061 0.000 2.007 341 N HA -0.087 4.653 4.740 0.000 0.000 0.197 341 N C 2.017 177.592 175.510 0.107 0.000 1.050 341 N CA 1.585 54.639 53.050 0.008 0.000 0.856 341 N CB -0.993 37.435 38.487 -0.098 0.000 1.050 341 N HN 0.341 nan 8.380 nan 0.000 0.423 342 V N 1.627 121.569 119.914 0.047 0.000 2.343 342 V HA -0.173 3.947 4.120 0.000 0.000 0.247 342 V C 2.289 178.399 176.094 0.027 0.000 1.051 342 V CA 1.194 63.516 62.300 0.037 0.000 1.036 342 V CB -0.496 31.312 31.823 -0.024 0.000 0.654 342 V HN 0.267 nan 8.190 nan 0.000 0.451 343 I N 1.357 121.935 120.570 0.012 0.000 2.264 343 I HA -0.235 3.935 4.170 0.000 0.000 0.248 343 I C 2.519 178.656 176.117 0.034 0.000 1.111 343 I CA 1.920 63.226 61.300 0.009 0.000 1.382 343 I CB -0.413 37.579 38.000 -0.014 0.000 1.060 343 I HN 0.504 nan 8.210 nan 0.000 0.418 344 S N 0.110 115.845 115.700 0.058 0.000 2.603 344 S HA 0.040 4.510 4.470 0.000 0.000 0.229 344 S C 1.589 176.273 174.600 0.141 0.000 0.972 344 S CA 0.482 58.730 58.200 0.080 0.000 0.935 344 S CB -0.386 62.849 63.200 0.058 0.000 0.769 344 S HN 0.444 nan 8.310 nan 0.000 0.536 345 I N 1.446 122.095 120.570 0.131 0.000 2.947 345 I HA 0.058 4.228 4.170 0.000 0.000 0.263 345 I C 1.517 177.666 176.117 0.053 0.000 1.130 345 I CA 0.608 61.975 61.300 0.112 0.000 1.448 345 I CB -0.415 37.618 38.000 0.055 0.000 1.222 345 I HN 0.354 nan 8.210 nan 0.000 0.453 346 T N -1.351 113.222 114.554 0.032 0.000 2.748 346 T HA 0.031 4.382 4.350 0.000 0.000 0.304 346 T C 0.302 175.016 174.700 0.023 0.000 1.041 346 T CA -0.336 61.776 62.100 0.020 0.000 1.033 346 T CB 0.580 69.454 68.868 0.010 0.000 0.995 346 T HN 0.041 nan 8.240 nan 0.000 0.536 347 D N 0.941 121.352 120.400 0.018 0.000 2.690 347 D HA 0.424 5.064 4.640 0.000 0.000 0.236 347 D C 0.925 177.234 176.300 0.016 0.000 1.218 347 D CA 0.460 54.470 54.000 0.017 0.000 0.829 347 D CB -0.360 40.448 40.800 0.014 0.000 1.009 347 D HN 0.999 nan 8.370 nan 0.000 0.482 348 G N 0.940 109.750 108.800 0.018 0.000 2.361 348 G HA2 0.218 4.178 3.960 0.000 0.000 0.331 348 G HA3 0.218 4.178 3.960 0.000 0.000 0.331 348 G C -1.840 173.074 174.900 0.023 0.000 1.324 348 G CA -0.936 44.176 45.100 0.020 0.000 0.984 348 G HN 0.116 nan 8.290 nan 0.000 0.586 349 Q N -0.772 119.047 119.800 0.033 0.000 2.426 349 Q HA 0.619 4.960 4.340 0.000 0.000 0.278 349 Q C -1.679 174.365 176.000 0.073 0.000 1.007 349 Q CA -0.911 54.920 55.803 0.047 0.000 0.850 349 Q CB 1.686 30.450 28.738 0.043 0.000 1.427 349 Q HN 0.933 nan 8.270 nan 0.000 0.391 350 I N 2.552 123.174 120.570 0.086 0.000 2.359 350 I HA 0.335 4.505 4.170 0.000 0.000 0.284 350 I C -0.871 175.344 176.117 0.164 0.000 1.018 350 I CA -0.734 60.625 61.300 0.098 0.000 1.173 350 I CB 0.718 38.752 38.000 0.057 0.000 1.326 350 I HN 0.473 nan 8.210 nan 0.000 0.462 351 F N 8.109 128.065 119.950 0.010 0.000 2.410 351 F HA 0.599 5.126 4.527 0.000 0.000 0.349 351 F C -0.829 174.980 175.800 0.014 0.000 1.117 351 F CA -0.800 57.206 58.000 0.010 0.000 1.104 351 F CB 0.744 39.751 39.000 0.013 0.000 1.122 351 F HN 0.182 nan 8.300 nan 0.000 0.483 352 L N 5.896 126.774 121.223 -0.574 0.000 2.346 352 L HA 0.537 4.877 4.340 0.000 0.000 0.276 352 L C -0.681 175.728 176.870 -0.769 0.000 1.006 352 L CA -0.734 53.799 54.840 -0.511 0.000 0.817 352 L CB 1.982 43.900 42.059 -0.236 0.000 1.272 352 L HN 0.542 nan 8.230 nan 0.000 0.421 353 E N -0.032 119.863 120.200 -0.509 0.000 2.256 353 E HA 0.229 4.579 4.350 0.000 0.000 0.267 353 E C 0.309 176.812 176.600 -0.161 0.000 0.892 353 E CA -0.406 55.780 56.400 -0.357 0.000 0.775 353 E CB 2.329 31.880 29.700 -0.249 0.000 1.207 353 E HN 0.733 nan 8.360 nan 0.000 0.420 354 T N -1.258 113.225 114.554 -0.119 0.000 2.833 354 T HA -0.217 4.133 4.350 0.000 0.000 0.269 354 T C 1.545 176.281 174.700 0.060 0.000 1.054 354 T CA 1.395 63.440 62.100 -0.092 0.000 1.135 354 T CB 0.014 68.867 68.868 -0.024 0.000 0.869 354 T HN 0.564 nan 8.240 nan 0.000 0.466 355 E N 0.970 121.224 120.200 0.090 0.000 2.051 355 E HA -0.108 4.242 4.350 0.000 0.000 0.192 355 E C 2.213 178.885 176.600 0.120 0.000 0.991 355 E CA 1.104 57.589 56.400 0.141 0.000 0.799 355 E CB -0.279 29.481 29.700 0.099 0.000 0.748 355 E HN 0.605 nan 8.360 nan 0.000 0.449 356 L N -0.004 121.256 121.223 0.061 0.000 2.056 356 L HA -0.115 4.225 4.340 0.000 0.000 0.207 356 L C 2.530 179.425 176.870 0.042 0.000 1.078 356 L CA 0.911 55.777 54.840 0.043 0.000 0.749 356 L CB -0.506 41.559 42.059 0.010 0.000 0.901 356 L HN 0.197 nan 8.230 nan 0.000 0.433 357 F N -0.049 119.816 119.950 -0.141 0.000 2.126 357 F HA -0.298 4.229 4.527 0.000 0.000 0.299 357 F C 2.245 177.931 175.800 -0.189 0.000 1.096 357 F CA 1.659 59.525 58.000 -0.223 0.000 1.255 357 F CB -0.201 38.576 39.000 -0.372 0.000 0.997 357 F HN -0.032 nan 8.300 nan 0.000 0.479 358 Y N 0.285 120.679 120.300 0.158 0.000 2.395 358 Y HA 0.022 4.572 4.550 0.000 0.000 0.293 358 Y C 2.154 178.049 175.900 -0.008 0.000 1.123 358 Y CA 0.860 59.001 58.100 0.067 0.000 1.227 358 Y CB -0.688 37.843 38.460 0.119 0.000 1.012 358 Y HN 0.007 nan 8.280 nan 0.000 0.552 359 K N -0.819 119.662 120.400 0.135 0.000 2.439 359 K HA 0.083 4.403 4.320 0.000 0.000 0.197 359 K C 1.392 178.002 176.600 0.015 0.000 1.041 359 K CA 0.799 57.128 56.287 0.071 0.000 0.970 359 K CB -0.122 32.415 32.500 0.061 0.000 0.773 359 K HN 0.439 nan 8.250 nan 0.000 0.479 360 G N 1.023 109.797 108.800 -0.042 0.000 2.201 360 G HA2 -0.201 3.759 3.960 0.000 0.000 0.212 360 G HA3 -0.201 3.759 3.960 0.000 0.000 0.212 360 G C -0.040 174.804 174.900 -0.093 0.000 0.994 360 G CA -0.495 44.554 45.100 -0.084 0.000 0.644 360 G HN 0.116 nan 8.290 nan 0.000 0.508 361 I N 2.520 123.050 120.570 -0.066 0.000 2.372 361 I HA 0.426 4.596 4.170 0.000 0.000 0.298 361 I C 0.786 176.854 176.117 -0.083 0.000 1.137 361 I CA 0.374 61.645 61.300 -0.048 0.000 1.314 361 I CB 0.325 38.321 38.000 -0.006 0.000 1.444 361 I HN 0.114 nan 8.210 nan 0.000 0.541 362 R N 7.268 127.707 120.500 -0.102 0.000 2.538 362 R HA 0.449 4.789 4.340 0.000 0.000 0.292 362 R C -2.623 173.641 176.300 -0.061 0.000 1.008 362 R CA -1.836 54.200 56.100 -0.107 0.000 0.896 362 R CB 1.769 31.937 30.300 -0.220 0.000 1.187 362 R HN 0.202 nan 8.270 nan 0.000 0.440 363 P HA -0.033 nan 4.420 nan 0.000 0.265 363 P C -0.234 177.065 177.300 -0.001 0.000 1.193 363 P CA 0.005 63.100 63.100 -0.009 0.000 0.765 363 P CB 0.804 32.500 31.700 -0.007 0.000 0.823 364 A N 4.740 127.579 122.820 0.033 0.000 2.810 364 A HA 0.140 4.460 4.320 0.000 0.000 0.247 364 A C 0.810 178.369 177.584 -0.042 0.000 1.576 364 A CA -0.287 51.759 52.037 0.015 0.000 1.294 364 A CB -1.487 17.568 19.000 0.091 0.000 0.976 364 A HN 0.494 nan 8.150 nan 0.000 0.631 365 I N 1.059 121.615 120.570 -0.023 0.000 2.496 365 I HA 0.029 4.199 4.170 0.000 0.000 0.285 365 I C 0.535 176.651 176.117 -0.001 0.000 1.080 365 I CA -0.314 60.975 61.300 -0.019 0.000 1.404 365 I CB 0.642 38.650 38.000 0.012 0.000 1.403 365 I HN 0.352 nan 8.210 nan 0.000 0.539 366 N N 6.169 124.876 118.700 0.012 0.000 2.437 366 N HA 0.115 4.855 4.740 0.000 0.000 0.243 366 N C 0.620 176.195 175.510 0.108 0.000 1.041 366 N CA -0.142 52.954 53.050 0.076 0.000 0.940 366 N CB 1.611 40.190 38.487 0.153 0.000 1.133 366 N HN 0.398 nan 8.380 nan 0.000 0.506 367 V N 3.803 123.767 119.914 0.084 0.000 2.358 367 V HA -0.117 4.003 4.120 0.000 0.000 0.246 367 V C 2.385 178.524 176.094 0.075 0.000 1.047 367 V CA 2.189 64.534 62.300 0.076 0.000 1.035 367 V CB -0.928 30.938 31.823 0.070 0.000 0.658 367 V HN 0.752 nan 8.190 nan 0.000 0.452 368 G N -0.162 108.683 108.800 0.075 0.000 2.422 368 G HA2 -0.184 3.776 3.960 0.000 0.000 0.218 368 G HA3 -0.184 3.776 3.960 0.000 0.000 0.218 368 G C 1.529 176.467 174.900 0.063 0.000 1.146 368 G CA 0.818 45.953 45.100 0.060 0.000 0.769 368 G HN 0.490 nan 8.290 nan 0.000 0.547 369 L N 0.776 122.058 121.223 0.099 0.000 2.446 369 L HA 0.167 4.507 4.340 0.000 0.000 0.219 369 L C 0.977 177.899 176.870 0.087 0.000 1.116 369 L CA -0.164 54.726 54.840 0.084 0.000 0.844 369 L CB 0.006 42.138 42.059 0.121 0.000 0.970 369 L HN 0.051 nan 8.230 nan 0.000 0.457 370 S N -0.143 115.626 115.700 0.116 0.000 2.632 370 S HA 0.582 5.052 4.470 0.000 0.000 0.271 370 S C -0.152 174.482 174.600 0.058 0.000 1.260 370 S CA -0.586 57.673 58.200 0.099 0.000 1.010 370 S CB 2.158 65.420 63.200 0.104 0.000 0.965 370 S HN 0.096 nan 8.310 nan 0.000 0.534 371 V N -1.396 118.545 119.914 0.045 0.000 3.258 371 V HA 0.920 5.040 4.120 0.000 0.000 0.299 371 V C -0.859 175.252 176.094 0.027 0.000 1.376 371 V CA -0.800 61.519 62.300 0.031 0.000 1.063 371 V CB 1.672 33.509 31.823 0.022 0.000 1.103 371 V HN 0.770 nan 8.190 nan 0.000 0.451 372 S N 0.144 115.856 115.700 0.021 0.000 2.594 372 S HA 0.579 5.049 4.470 0.000 0.000 0.296 372 S C 0.280 174.888 174.600 0.013 0.000 1.124 372 S CA -0.774 57.436 58.200 0.016 0.000 1.011 372 S CB 1.887 65.095 63.200 0.014 0.000 1.016 372 S HN 0.860 nan 8.310 nan 0.000 0.485 373 R N 3.186 123.693 120.500 0.012 0.000 2.317 373 R HA 0.162 4.502 4.340 0.000 0.000 0.208 373 R C 0.794 177.099 176.300 0.008 0.000 0.914 373 R CA 0.343 56.450 56.100 0.010 0.000 1.060 373 R CB 0.044 30.351 30.300 0.012 0.000 1.015 373 R HN 0.496 nan 8.270 nan 0.000 0.498 374 V N -0.298 119.619 119.914 0.006 0.000 3.085 374 V HA 0.161 4.281 4.120 0.000 0.000 0.245 374 V C 1.353 177.448 176.094 0.002 0.000 1.114 374 V CA 0.952 63.254 62.300 0.003 0.000 1.108 374 V CB 0.182 32.004 31.823 -0.001 0.000 0.798 374 V HN 0.594 nan 8.190 nan 0.000 0.471 375 G N 1.453 110.255 108.800 0.003 0.000 2.552 375 G HA2 -0.356 3.604 3.960 0.000 0.000 0.265 375 G HA3 -0.356 3.604 3.960 0.000 0.000 0.265 375 G C 1.023 175.924 174.900 0.001 0.000 1.234 375 G CA 0.791 45.893 45.100 0.004 0.000 0.944 375 G HN 0.953 nan 8.290 nan 0.000 0.568 376 S N 0.006 115.707 115.700 0.001 0.000 2.547 376 S HA 0.277 4.747 4.470 0.000 0.000 0.235 376 S C 2.413 177.010 174.600 -0.004 0.000 0.980 376 S CA 1.508 59.708 58.200 0.000 0.000 0.941 376 S CB -0.213 62.988 63.200 0.002 0.000 0.763 376 S HN 2.099 nan 8.310 nan 0.000 0.532 377 A N 0.908 123.725 122.820 -0.005 0.000 2.172 377 A HA 0.527 4.847 4.320 0.000 0.000 0.216 377 A C 2.070 179.645 177.584 -0.015 0.000 1.154 377 A CA 0.986 53.019 52.037 -0.008 0.000 0.701 377 A CB -0.734 18.263 19.000 -0.006 0.000 0.789 377 A HN 0.866 nan 8.150 nan 0.000 0.465 378 A N -1.223 121.588 122.820 -0.015 0.000 2.387 378 A HA 0.359 4.679 4.320 0.000 0.000 0.234 378 A C 0.686 178.254 177.584 -0.026 0.000 1.253 378 A CA -0.213 51.810 52.037 -0.024 0.000 0.894 378 A CB 0.078 19.065 19.000 -0.021 0.000 0.963 378 A HN 0.574 nan 8.150 nan 0.000 0.508 379 Q N 0.310 120.099 119.800 -0.018 0.000 2.301 379 Q HA 0.449 4.789 4.340 0.000 0.000 0.267 379 Q C -0.018 175.973 176.000 -0.015 0.000 1.035 379 Q CA -0.550 55.245 55.803 -0.014 0.000 0.856 379 Q CB 1.604 30.340 28.738 -0.003 0.000 1.337 379 Q HN 0.444 nan 8.270 nan 0.000 0.450 380 T N -1.271 113.275 114.554 -0.013 0.000 2.766 380 T HA 0.149 4.499 4.350 0.000 0.000 0.295 380 T C 0.898 175.596 174.700 -0.003 0.000 1.024 380 T CA -0.427 61.666 62.100 -0.012 0.000 1.018 380 T CB 0.727 69.590 68.868 -0.009 0.000 1.002 380 T HN 0.488 nan 8.240 nan 0.000 0.532 381 R N 0.997 121.496 120.500 -0.002 0.000 2.081 381 R HA 0.094 4.434 4.340 0.000 0.000 0.235 381 R C 2.808 179.116 176.300 0.013 0.000 1.131 381 R CA 1.642 57.745 56.100 0.005 0.000 0.960 381 R CB -1.453 28.849 30.300 0.004 0.000 0.856 381 R HN 0.832 nan 8.270 nan 0.000 0.436 382 A N 0.721 123.548 122.820 0.012 0.000 1.859 382 A HA -0.264 4.056 4.320 0.000 0.000 0.217 382 A C 2.151 179.754 177.584 0.033 0.000 1.198 382 A CA 2.041 54.091 52.037 0.022 0.000 0.629 382 A CB -0.615 18.392 19.000 0.012 0.000 0.830 382 A HN 0.307 nan 8.150 nan 0.000 0.446 383 M N 0.090 119.705 119.600 0.025 0.000 2.149 383 M HA -0.142 4.338 4.480 0.000 0.000 0.261 383 M C 1.930 178.246 176.300 0.027 0.000 1.064 383 M CA 2.368 57.685 55.300 0.029 0.000 1.102 383 M CB -0.474 32.138 32.600 0.020 0.000 1.369 383 M HN 0.479 nan 8.290 nan 0.000 0.408 384 K N -0.701 119.711 120.400 0.020 0.000 2.148 384 K HA -0.182 4.138 4.320 0.000 0.000 0.204 384 K C 1.907 178.521 176.600 0.023 0.000 1.050 384 K CA 1.525 57.822 56.287 0.017 0.000 0.942 384 K CB -0.130 32.377 32.500 0.011 0.000 0.724 384 K HN 0.550 nan 8.250 nan 0.000 0.446 385 Q N 0.013 119.833 119.800 0.034 0.000 2.224 385 Q HA -0.097 4.243 4.340 0.000 0.000 0.203 385 Q C 1.905 177.939 176.000 0.056 0.000 0.970 385 Q CA 1.483 57.313 55.803 0.046 0.000 0.865 385 Q CB 0.330 29.104 28.738 0.060 0.000 0.922 385 Q HN 0.381 nan 8.270 nan 0.000 0.445 386 V N -5.232 114.719 119.914 0.061 0.000 3.523 386 V HA 0.386 4.507 4.120 0.000 0.000 0.255 386 V C 1.383 177.493 176.094 0.026 0.000 1.226 386 V CA 0.746 63.081 62.300 0.059 0.000 1.092 386 V CB 0.496 32.383 31.823 0.107 0.000 0.817 386 V HN 0.116 nan 8.190 nan 0.000 0.458 387 A N 0.692 123.526 122.820 0.023 0.000 2.431 387 A HA 0.536 4.856 4.320 0.000 0.000 0.239 387 A C 2.050 179.638 177.584 0.007 0.000 1.230 387 A CA 0.731 52.776 52.037 0.013 0.000 0.928 387 A CB -0.447 18.564 19.000 0.018 0.000 1.006 387 A HN 0.623 nan 8.150 nan 0.000 0.520 388 G N 1.026 109.830 108.800 0.007 0.000 2.606 388 G HA2 -0.346 3.614 3.960 0.000 0.000 0.221 388 G HA3 -0.346 3.614 3.960 0.000 0.000 0.221 388 G C 1.478 176.379 174.900 0.001 0.000 1.152 388 G CA 2.174 47.276 45.100 0.004 0.000 0.765 388 G HN 0.887 nan 8.290 nan 0.000 0.595 389 T N -3.016 111.535 114.554 -0.004 0.000 3.044 389 T HA 0.354 4.705 4.350 0.000 0.000 0.260 389 T C 1.968 176.665 174.700 -0.005 0.000 1.019 389 T CA 0.655 62.752 62.100 -0.005 0.000 0.921 389 T CB 0.196 69.057 68.868 -0.011 0.000 1.053 389 T HN 0.203 nan 8.240 nan 0.000 0.533 390 M N 1.102 120.699 119.600 -0.006 0.000 2.213 390 M HA 0.046 4.526 4.480 0.000 0.000 0.263 390 M C 2.253 178.557 176.300 0.007 0.000 1.062 390 M CA 1.492 56.788 55.300 -0.007 0.000 1.105 390 M CB -0.157 32.437 32.600 -0.009 0.000 1.385 390 M HN 0.198 nan 8.290 nan 0.000 0.417 391 K N 0.339 120.747 120.400 0.013 0.000 2.025 391 K HA -0.115 4.205 4.320 0.000 0.000 0.207 391 K C 1.822 178.439 176.600 0.028 0.000 1.049 391 K CA 1.309 57.610 56.287 0.023 0.000 0.933 391 K CB -0.159 32.355 32.500 0.022 0.000 0.714 391 K HN 0.405 nan 8.250 nan 0.000 0.438 392 L N 0.889 122.124 121.223 0.020 0.000 2.017 392 L HA -0.191 4.149 4.340 0.000 0.000 0.208 392 L C 2.686 179.573 176.870 0.028 0.000 1.073 392 L CA 1.652 56.504 54.840 0.020 0.000 0.745 392 L CB -0.606 41.460 42.059 0.011 0.000 0.894 392 L HN 0.431 nan 8.230 nan 0.000 0.432 393 E N 0.810 121.024 120.200 0.024 0.000 2.085 393 E HA -0.251 4.099 4.350 0.000 0.000 0.194 393 E C 2.335 178.978 176.600 0.072 0.000 0.994 393 E CA 1.286 57.705 56.400 0.031 0.000 0.801 393 E CB -0.088 29.615 29.700 0.004 0.000 0.743 393 E HN 0.462 nan 8.360 nan 0.000 0.453 394 L N 0.264 121.529 121.223 0.071 0.000 2.201 394 L HA -0.095 4.246 4.340 0.000 0.000 0.212 394 L C 2.616 179.582 176.870 0.159 0.000 1.105 394 L CA 0.772 55.695 54.840 0.137 0.000 0.775 394 L CB -0.336 41.779 42.059 0.092 0.000 0.913 394 L HN 0.251 nan 8.230 nan 0.000 0.440 395 A N -0.804 122.069 122.820 0.088 0.000 1.873 395 A HA -0.205 4.115 4.320 0.000 0.000 0.215 395 A C 2.246 179.855 177.584 0.043 0.000 1.186 395 A CA 1.162 53.234 52.037 0.058 0.000 0.616 395 A CB -0.347 18.676 19.000 0.038 0.000 0.823 395 A HN 0.329 nan 8.150 nan 0.000 0.442 396 Q N -1.493 118.337 119.800 0.050 0.000 2.124 396 Q HA -0.194 4.146 4.340 0.000 0.000 0.202 396 Q C 1.938 177.969 176.000 0.050 0.000 0.977 396 Q CA 1.849 57.671 55.803 0.033 0.000 0.850 396 Q CB -0.572 28.185 28.738 0.031 0.000 0.901 396 Q HN 0.870 nan 8.270 nan 0.000 0.429 397 Y N 1.366 121.659 120.300 -0.011 0.000 2.128 397 Y HA -0.261 4.289 4.550 0.000 0.000 0.284 397 Y C 2.403 178.299 175.900 -0.007 0.000 1.154 397 Y CA 2.103 60.196 58.100 -0.011 0.000 1.149 397 Y CB -0.316 38.136 38.460 -0.013 0.000 0.976 397 Y HN -0.034 nan 8.280 nan 0.000 0.505 398 R N 0.244 120.538 120.500 -0.344 0.000 2.115 398 R HA -0.155 4.185 4.340 0.000 0.000 0.230 398 R C 2.443 178.584 176.300 -0.266 0.000 1.111 398 R CA 1.338 57.172 56.100 -0.444 0.000 0.976 398 R CB -0.301 29.893 30.300 -0.176 0.000 0.870 398 R HN 0.415 nan 8.270 nan 0.000 0.445 399 E N 0.268 120.380 120.200 -0.146 0.000 2.017 399 E HA -0.170 4.180 4.350 0.000 0.000 0.193 399 E C 1.821 178.365 176.600 -0.093 0.000 0.997 399 E CA 1.531 57.876 56.400 -0.092 0.000 0.804 399 E CB -0.423 29.240 29.700 -0.063 0.000 0.757 399 E HN 0.208 nan 8.360 nan 0.000 0.448 400 V N 1.145 121.006 119.914 -0.088 0.000 2.490 400 V HA -0.214 3.906 4.120 0.000 0.000 0.250 400 V C 2.397 178.445 176.094 -0.078 0.000 1.061 400 V CA 2.095 64.376 62.300 -0.032 0.000 1.064 400 V CB -0.637 31.190 31.823 0.006 0.000 0.670 400 V HN 0.406 nan 8.190 nan 0.000 0.461 401 A N -0.082 122.610 122.820 -0.213 0.000 1.902 401 A HA -0.094 4.226 4.320 0.000 0.000 0.217 401 A C 2.447 179.905 177.584 -0.211 0.000 1.181 401 A CA 2.194 54.085 52.037 -0.244 0.000 0.623 401 A CB -1.028 17.691 19.000 -0.468 0.000 0.818 401 A HN 0.801 nan 8.150 nan 0.000 0.443 402 A N -1.418 121.284 122.820 -0.195 0.000 1.902 402 A HA -0.068 4.252 4.320 0.000 0.000 0.217 402 A C 2.051 179.395 177.584 -0.401 0.000 1.181 402 A CA 1.663 53.590 52.037 -0.184 0.000 0.623 402 A CB -0.696 18.256 19.000 -0.080 0.000 0.818 402 A HN 0.662 nan 8.150 nan 0.000 0.443 403 F N 0.777 120.405 119.950 -0.537 0.000 2.234 403 F HA 0.068 4.595 4.527 0.000 0.000 0.299 403 F C 2.384 177.642 175.800 -0.903 0.000 1.087 403 F CA 0.807 58.295 58.000 -0.854 0.000 1.340 403 F CB -0.235 38.562 39.000 -0.338 0.000 1.031 403 F HN 0.229 nan 8.300 nan 0.000 0.500 404 A N 0.390 122.918 122.820 -0.487 0.000 2.066 404 A HA -0.185 4.135 4.320 0.000 0.000 0.218 404 A C 2.098 179.458 177.584 -0.373 0.000 1.157 404 A CA 1.085 52.902 52.037 -0.366 0.000 0.670 404 A CB -1.006 17.908 19.000 -0.144 0.000 0.804 404 A HN 0.661 nan 8.150 nan 0.000 0.453 405 Q N -0.962 118.580 119.800 -0.430 0.000 2.515 405 Q HA -0.128 4.212 4.340 0.000 0.000 0.215 405 Q C 0.010 175.999 176.000 -0.018 0.000 0.983 405 Q CA 0.919 56.604 55.803 -0.196 0.000 0.905 405 Q CB -0.505 28.161 28.738 -0.120 0.000 0.961 405 Q HN 0.529 nan 8.270 nan 0.000 0.503 406 F N 0.648 120.469 119.950 -0.216 0.000 2.701 406 F HA 0.414 4.941 4.527 0.000 0.000 0.295 406 F C 1.690 177.379 175.800 -0.185 0.000 1.165 406 F CA -0.631 57.230 58.000 -0.231 0.000 1.399 406 F CB -0.389 38.386 39.000 -0.376 0.000 0.996 406 F HN 0.220 nan 8.300 nan 0.000 0.513 407 G N -0.069 108.734 108.800 0.004 0.000 2.262 407 G HA2 -0.378 3.582 3.960 0.000 0.000 0.269 407 G HA3 -0.378 3.582 3.960 0.000 0.000 0.269 407 G C 0.757 175.641 174.900 -0.027 0.000 0.984 407 G CA 0.721 45.813 45.100 -0.013 0.000 0.649 407 G HN 0.411 nan 8.290 nan 0.000 0.548 408 S N 1.394 117.064 115.700 -0.050 0.000 2.542 408 S HA 0.315 4.785 4.470 0.000 0.000 0.287 408 S C 0.464 175.053 174.600 -0.018 0.000 1.315 408 S CA 0.500 58.678 58.200 -0.038 0.000 1.037 408 S CB 0.421 63.577 63.200 -0.073 0.000 0.822 408 S HN 0.801 nan 8.310 nan 0.000 0.513 409 D N 0.715 121.117 120.400 0.004 0.000 2.458 409 D HA 0.289 4.929 4.640 0.000 0.000 0.243 409 D C -0.581 175.729 176.300 0.017 0.000 1.146 409 D CA -0.157 53.849 54.000 0.009 0.000 0.877 409 D CB 0.065 40.874 40.800 0.015 0.000 1.176 409 D HN 0.350 nan 8.370 nan 0.000 0.461 410 L N 2.316 123.547 121.223 0.013 0.000 2.313 410 L HA 0.316 4.656 4.340 0.000 0.000 0.283 410 L C 0.483 177.364 176.870 0.018 0.000 1.013 410 L CA -1.250 53.601 54.840 0.020 0.000 0.816 410 L CB 1.171 43.237 42.059 0.012 0.000 1.236 410 L HN 0.542 nan 8.230 nan 0.000 0.419 411 D N 2.488 122.902 120.400 0.023 0.000 2.384 411 D HA 0.076 4.716 4.640 0.000 0.000 0.244 411 D C 0.982 177.289 176.300 0.011 0.000 1.251 411 D CA -0.244 53.766 54.000 0.016 0.000 0.961 411 D CB 1.447 42.258 40.800 0.018 0.000 1.116 411 D HN 0.531 nan 8.370 nan 0.000 0.484 412 A N 0.506 123.330 122.820 0.005 0.000 1.940 412 A HA -0.060 4.260 4.320 0.000 0.000 0.219 412 A C 2.230 179.813 177.584 -0.001 0.000 1.176 412 A CA 2.449 54.486 52.037 -0.000 0.000 0.631 412 A CB -1.054 17.943 19.000 -0.004 0.000 0.814 412 A HN 0.709 nan 8.150 nan 0.000 0.446 413 A N -0.833 121.988 122.820 0.002 0.000 1.883 413 A HA -0.156 4.164 4.320 0.000 0.000 0.217 413 A C 2.486 180.075 177.584 0.009 0.000 1.186 413 A CA 2.638 54.676 52.037 0.002 0.000 0.624 413 A CB -1.312 17.690 19.000 0.003 0.000 0.822 413 A HN 0.684 nan 8.150 nan 0.000 0.444 414 T N -1.537 113.029 114.554 0.020 0.000 2.857 414 T HA -0.146 4.204 4.350 0.000 0.000 0.266 414 T C 1.937 176.656 174.700 0.033 0.000 1.048 414 T CA 1.625 63.745 62.100 0.033 0.000 1.139 414 T CB -0.372 68.522 68.868 0.044 0.000 0.874 414 T HN 0.592 nan 8.240 nan 0.000 0.455 415 Q N 0.058 119.870 119.800 0.020 0.000 2.124 415 Q HA -0.165 4.175 4.340 0.000 0.000 0.202 415 Q C 2.437 178.441 176.000 0.006 0.000 0.977 415 Q CA 1.840 57.652 55.803 0.015 0.000 0.850 415 Q CB -0.204 28.537 28.738 0.005 0.000 0.901 415 Q HN 0.531 nan 8.270 nan 0.000 0.429 416 Q N 0.811 120.608 119.800 -0.005 0.000 2.119 416 Q HA -0.153 4.187 4.340 0.000 0.000 0.201 416 Q C 1.810 177.795 176.000 -0.026 0.000 0.972 416 Q CA 1.030 56.819 55.803 -0.024 0.000 0.847 416 Q CB -0.248 28.471 28.738 -0.031 0.000 0.903 416 Q HN 0.352 nan 8.270 nan 0.000 0.433 417 L N -0.370 120.854 121.223 0.003 0.000 2.046 417 L HA -0.062 4.278 4.340 0.000 0.000 0.208 417 L C 1.914 178.815 176.870 0.051 0.000 1.077 417 L CA 1.650 56.503 54.840 0.023 0.000 0.747 417 L CB -0.589 41.507 42.059 0.062 0.000 0.896 417 L HN 0.371 nan 8.230 nan 0.000 0.432 418 L N -1.100 120.183 121.223 0.101 0.000 2.017 418 L HA -0.203 4.137 4.340 0.000 0.000 0.208 418 L C 2.505 179.383 176.870 0.012 0.000 1.073 418 L CA 1.466 56.411 54.840 0.176 0.000 0.745 418 L CB -0.889 41.255 42.059 0.142 0.000 0.894 418 L HN 0.237 nan 8.230 nan 0.000 0.432 419 S N -0.321 115.364 115.700 -0.025 0.000 2.353 419 S HA -0.258 4.212 4.470 0.000 0.000 0.222 419 S C 2.053 176.569 174.600 -0.141 0.000 1.035 419 S CA 1.636 59.795 58.200 -0.068 0.000 1.025 419 S CB -0.342 62.823 63.200 -0.058 0.000 0.902 419 S HN 0.273 nan 8.310 nan 0.000 0.440 420 R N 1.541 121.947 120.500 -0.158 0.000 2.081 420 R HA -0.018 4.322 4.340 0.000 0.000 0.235 420 R C 2.314 178.413 176.300 -0.334 0.000 1.131 420 R CA 1.860 57.839 56.100 -0.203 0.000 0.960 420 R CB -1.304 28.900 30.300 -0.160 0.000 0.856 420 R HN 0.389 nan 8.270 nan 0.000 0.436 421 G N -0.612 107.846 108.800 -0.571 0.000 2.418 421 G HA2 -0.187 3.773 3.960 0.000 0.000 0.217 421 G HA3 -0.187 3.773 3.960 0.000 0.000 0.217 421 G C 1.402 175.693 174.900 -1.015 0.000 1.158 421 G CA 0.993 45.336 45.100 -1.261 0.000 0.771 421 G HN 0.250 nan 8.290 nan 0.000 0.545 422 V N 0.970 120.516 119.914 -0.613 0.000 2.490 422 V HA -0.116 4.004 4.120 0.000 0.000 0.250 422 V C 2.937 178.939 176.094 -0.153 0.000 1.061 422 V CA 1.541 63.720 62.300 -0.202 0.000 1.064 422 V CB -0.404 31.396 31.823 -0.038 0.000 0.670 422 V HN 0.243 nan 8.190 nan 0.000 0.461 423 R N 0.057 120.448 120.500 -0.181 0.000 2.062 423 R HA 0.074 4.414 4.340 0.000 0.000 0.226 423 R C 2.253 178.478 176.300 -0.125 0.000 1.125 423 R CA 1.080 57.099 56.100 -0.135 0.000 0.966 423 R CB -0.816 29.396 30.300 -0.146 0.000 0.861 423 R HN 0.423 nan 8.270 nan 0.000 0.433 424 L N 0.517 121.644 121.223 -0.161 0.000 2.083 424 L HA -0.135 4.205 4.340 0.000 0.000 0.209 424 L C 2.372 179.193 176.870 -0.081 0.000 1.083 424 L CA 1.422 56.191 54.840 -0.119 0.000 0.752 424 L CB -0.857 41.119 42.059 -0.139 0.000 0.899 424 L HN 0.163 nan 8.230 nan 0.000 0.433 425 T N -0.757 113.738 114.554 -0.097 0.000 2.720 425 T HA -0.175 4.175 4.350 0.000 0.000 0.268 425 T C 1.800 176.492 174.700 -0.013 0.000 1.037 425 T CA 1.318 63.403 62.100 -0.026 0.000 1.144 425 T CB -0.130 68.750 68.868 0.020 0.000 0.864 425 T HN 0.314 nan 8.240 nan 0.000 0.444 426 E N 0.999 121.185 120.200 -0.023 0.000 2.072 426 E HA 0.030 4.380 4.350 0.000 0.000 0.191 426 E C 2.302 178.903 176.600 0.001 0.000 0.985 426 E CA 0.650 57.046 56.400 -0.007 0.000 0.801 426 E CB -0.436 29.260 29.700 -0.007 0.000 0.750 426 E HN 0.461 nan 8.360 nan 0.000 0.452 427 L N 0.443 121.662 121.223 -0.007 0.000 2.275 427 L HA -0.086 4.254 4.340 0.000 0.000 0.215 427 L C 2.157 179.036 176.870 0.016 0.000 1.119 427 L CA 0.522 55.370 54.840 0.013 0.000 0.790 427 L CB -0.204 41.859 42.059 0.006 0.000 0.919 427 L HN 0.077 nan 8.230 nan 0.000 0.443 428 L N -0.892 120.334 121.223 0.005 0.000 2.591 428 L HA 0.023 4.363 4.340 0.000 0.000 0.228 428 L C 0.819 177.691 176.870 0.004 0.000 1.133 428 L CA 0.060 54.904 54.840 0.008 0.000 0.880 428 L CB -0.321 41.742 42.059 0.007 0.000 1.033 428 L HN 0.092 nan 8.230 nan 0.000 0.450 429 K N 1.418 121.819 120.400 0.002 0.000 2.355 429 K HA 0.205 4.525 4.320 0.000 0.000 0.270 429 K C -0.108 176.488 176.600 -0.006 0.000 1.003 429 K CA 0.325 56.607 56.287 -0.008 0.000 0.957 429 K CB 0.660 33.154 32.500 -0.009 0.000 0.939 429 K HN -0.003 nan 8.250 nan 0.000 0.482 430 Q N 0.511 120.299 119.800 -0.021 0.000 2.352 430 Q HA 0.303 4.643 4.340 0.000 0.000 0.270 430 Q C -0.842 175.134 176.000 -0.040 0.000 1.006 430 Q CA -0.582 55.209 55.803 -0.020 0.000 0.880 430 Q CB 1.768 30.496 28.738 -0.016 0.000 1.392 430 Q HN 0.802 nan 8.270 nan 0.000 0.401 431 G N 1.577 110.358 108.800 -0.033 0.000 2.621 431 G HA2 0.210 4.170 3.960 0.000 0.000 0.271 431 G HA3 0.210 4.170 3.960 0.000 0.000 0.271 431 G C -0.721 174.131 174.900 -0.080 0.000 1.236 431 G CA -0.193 44.879 45.100 -0.047 0.000 0.958 431 G HN 0.611 nan 8.290 nan 0.000 0.512 432 Q N -1.662 118.060 119.800 -0.130 0.000 2.221 432 Q HA 0.373 4.713 4.340 0.000 0.000 0.242 432 Q C -0.589 175.295 176.000 -0.194 0.000 0.940 432 Q CA -0.602 55.010 55.803 -0.318 0.000 0.896 432 Q CB 0.540 28.917 28.738 -0.602 0.000 1.226 432 Q HN 0.544 nan 8.270 nan 0.000 0.463 433 Y N -0.907 119.391 120.300 -0.003 0.000 4.490 433 Y HA -0.234 4.316 4.550 0.000 0.000 0.233 433 Y C -0.165 175.727 175.900 -0.013 0.000 1.101 433 Y CA 0.891 58.985 58.100 -0.010 0.000 2.010 433 Y CB -1.949 36.504 38.460 -0.012 0.000 1.622 433 Y HN 0.345 nan 8.280 nan 0.000 0.675 434 S N 0.321 116.067 115.700 0.076 0.000 2.440 434 S HA 0.428 4.898 4.470 0.000 0.000 0.142 434 S C -2.531 172.077 174.600 0.013 0.000 1.578 434 S CA -1.035 57.192 58.200 0.044 0.000 1.260 434 S CB 0.598 63.820 63.200 0.038 0.000 1.407 434 S HN -0.024 nan 8.310 nan 0.000 0.392 435 P HA 0.207 nan 4.420 nan 0.000 0.268 435 P C -0.458 176.834 177.300 -0.013 0.000 1.204 435 P CA 0.078 63.178 63.100 -0.000 0.000 0.768 435 P CB 0.371 32.074 31.700 0.005 0.000 0.842 436 M N 1.836 121.430 119.600 -0.009 0.000 2.318 436 M HA 0.484 4.964 4.480 0.000 0.000 0.347 436 M C 0.515 176.806 176.300 -0.015 0.000 1.175 436 M CA -0.758 54.532 55.300 -0.016 0.000 1.075 436 M CB 1.526 34.123 32.600 -0.006 0.000 1.614 436 M HN 0.325 nan 8.290 nan 0.000 0.456 437 A N 1.826 124.627 122.820 -0.032 0.000 2.445 437 A HA 0.142 4.462 4.320 0.000 0.000 0.242 437 A C 0.956 178.541 177.584 0.002 0.000 1.075 437 A CA -0.360 51.662 52.037 -0.023 0.000 0.777 437 A CB 0.038 19.009 19.000 -0.049 0.000 1.013 437 A HN 0.960 nan 8.150 nan 0.000 0.493 438 I N 1.043 121.631 120.570 0.029 0.000 2.264 438 I HA -0.228 3.942 4.170 0.000 0.000 0.248 438 I C 2.447 178.570 176.117 0.011 0.000 1.111 438 I CA 2.441 63.758 61.300 0.028 0.000 1.382 438 I CB -0.307 37.717 38.000 0.039 0.000 1.060 438 I HN 0.841 nan 8.210 nan 0.000 0.418 439 E N 0.512 120.709 120.200 -0.004 0.000 2.204 439 E HA -0.256 4.094 4.350 0.000 0.000 0.194 439 E C 1.724 178.306 176.600 -0.030 0.000 0.989 439 E CA 1.580 57.967 56.400 -0.021 0.000 0.824 439 E CB -0.725 28.953 29.700 -0.036 0.000 0.756 439 E HN 0.674 nan 8.360 nan 0.000 0.477 440 E N 0.914 121.094 120.200 -0.033 0.000 2.072 440 E HA -0.130 4.220 4.350 0.000 0.000 0.190 440 E C 2.331 178.933 176.600 0.004 0.000 0.982 440 E CA 0.950 57.327 56.400 -0.040 0.000 0.803 440 E CB -0.085 29.584 29.700 -0.052 0.000 0.755 440 E HN 0.406 nan 8.360 nan 0.000 0.453 441 Q N 0.575 120.385 119.800 0.017 0.000 2.050 441 Q HA -0.139 4.201 4.340 0.000 0.000 0.202 441 Q C 2.458 178.495 176.000 0.062 0.000 0.980 441 Q CA 1.362 57.188 55.803 0.040 0.000 0.840 441 Q CB -0.183 28.575 28.738 0.033 0.000 0.898 441 Q HN 0.131 nan 8.270 nan 0.000 0.424 442 V N 1.337 121.281 119.914 0.049 0.000 2.324 442 V HA -0.330 3.790 4.120 0.000 0.000 0.250 442 V C 2.326 178.486 176.094 0.110 0.000 1.060 442 V CA 1.958 64.300 62.300 0.069 0.000 1.042 442 V CB -1.045 30.800 31.823 0.037 0.000 0.650 442 V HN 0.434 nan 8.190 nan 0.000 0.450 443 A N 0.100 122.966 122.820 0.078 0.000 1.877 443 A HA -0.169 4.151 4.320 0.000 0.000 0.216 443 A C 2.454 180.234 177.584 0.327 0.000 1.186 443 A CA 2.220 54.339 52.037 0.137 0.000 0.620 443 A CB -0.784 18.227 19.000 0.019 0.000 0.822 443 A HN 0.636 nan 8.150 nan 0.000 0.443 444 V N -0.848 119.226 119.914 0.268 0.000 2.548 444 V HA -0.126 3.994 4.120 0.000 0.000 0.249 444 V C 2.042 178.248 176.094 0.187 0.000 1.055 444 V CA 1.658 64.128 62.300 0.282 0.000 1.065 444 V CB -0.665 31.293 31.823 0.226 0.000 0.681 444 V HN 0.404 nan 8.190 nan 0.000 0.462 445 I N 0.083 120.745 120.570 0.153 0.000 2.179 445 I HA -0.200 3.970 4.170 0.000 0.000 0.242 445 I C 2.515 178.710 176.117 0.129 0.000 1.088 445 I CA 2.389 63.754 61.300 0.108 0.000 1.357 445 I CB -1.741 36.310 38.000 0.085 0.000 1.051 445 I HN 0.513 nan 8.210 nan 0.000 0.409 446 Y N 2.244 122.578 120.300 0.056 0.000 2.062 446 Y HA -0.358 4.192 4.550 0.000 0.000 0.276 446 Y C 2.647 178.594 175.900 0.078 0.000 1.189 446 Y CA 2.531 60.671 58.100 0.068 0.000 1.130 446 Y CB -0.360 38.156 38.460 0.094 0.000 0.959 446 Y HN 0.160 nan 8.280 nan 0.000 0.499 447 A N -0.366 122.595 122.820 0.235 0.000 2.024 447 A HA -0.118 4.202 4.320 0.000 0.000 0.220 447 A C 2.367 179.939 177.584 -0.020 0.000 1.164 447 A CA 1.834 53.932 52.037 0.102 0.000 0.643 447 A CB -1.519 17.428 19.000 -0.089 0.000 0.806 447 A HN 0.644 nan 8.150 nan 0.000 0.451 448 G N -1.308 107.458 108.800 -0.058 0.000 2.497 448 G HA2 0.073 4.033 3.960 0.000 0.000 0.210 448 G HA3 0.073 4.033 3.960 0.000 0.000 0.210 448 G C 1.397 176.203 174.900 -0.155 0.000 1.177 448 G CA 0.830 45.861 45.100 -0.115 0.000 0.822 448 G HN 0.236 nan 8.290 nan 0.000 0.550 449 V N 1.113 120.943 119.914 -0.139 0.000 2.594 449 V HA -0.059 4.061 4.120 0.000 0.000 0.253 449 V C 2.628 178.573 176.094 -0.248 0.000 1.069 449 V CA 1.228 63.431 62.300 -0.160 0.000 1.082 449 V CB -0.333 31.426 31.823 -0.106 0.000 0.680 449 V HN 0.188 nan 8.190 nan 0.000 0.469 450 R N -0.307 119.976 120.500 -0.362 0.000 2.310 450 R HA 0.187 4.527 4.340 0.000 0.000 0.202 450 R C 1.787 177.691 176.300 -0.660 0.000 0.933 450 R CA 0.780 56.562 56.100 -0.531 0.000 1.054 450 R CB -0.169 29.703 30.300 -0.713 0.000 0.985 450 R HN 0.580 nan 8.270 nan 0.000 0.489 451 G N 0.307 108.828 108.800 -0.465 0.000 2.199 451 G HA2 -0.350 3.610 3.960 0.000 0.000 0.254 451 G HA3 -0.350 3.610 3.960 0.000 0.000 0.254 451 G C 0.599 175.275 174.900 -0.373 0.000 0.982 451 G CA 0.285 45.146 45.100 -0.398 0.000 0.632 451 G HN 0.339 nan 8.290 nan 0.000 0.529 452 Y N 0.380 120.579 120.300 -0.169 0.000 2.465 452 Y HA 0.124 4.674 4.550 0.000 0.000 0.289 452 Y C 2.629 178.409 175.900 -0.199 0.000 1.150 452 Y CA 1.541 59.550 58.100 -0.152 0.000 1.293 452 Y CB -0.168 38.214 38.460 -0.131 0.000 0.977 452 Y HN 0.407 nan 8.280 nan 0.000 0.556 453 L N -0.783 120.359 121.223 -0.136 0.000 2.693 453 L HA 0.073 4.413 4.340 0.000 0.000 0.235 453 L C 0.990 177.762 176.870 -0.163 0.000 1.127 453 L CA -0.009 54.697 54.840 -0.223 0.000 0.914 453 L CB -0.042 41.814 42.059 -0.338 0.000 1.193 453 L HN 0.008 nan 8.230 nan 0.000 0.502 454 D N 1.358 121.676 120.400 -0.136 0.000 2.271 454 D HA -0.179 4.462 4.640 0.000 0.000 0.207 454 D C 1.648 177.899 176.300 -0.082 0.000 0.983 454 D CA 1.384 55.317 54.000 -0.113 0.000 0.878 454 D CB 0.161 40.893 40.800 -0.113 0.000 0.920 454 D HN 0.284 nan 8.370 nan 0.000 0.479 455 K N -0.550 119.808 120.400 -0.069 0.000 2.358 455 K HA 0.123 4.443 4.320 0.000 0.000 0.200 455 K C 0.138 176.716 176.600 -0.036 0.000 1.030 455 K CA -0.458 55.803 56.287 -0.043 0.000 1.097 455 K CB 0.761 33.246 32.500 -0.025 0.000 0.862 455 K HN -0.016 nan 8.250 nan 0.000 0.534 456 L N 2.342 123.529 121.223 -0.060 0.000 2.331 456 L HA 0.120 4.460 4.340 0.000 0.000 0.278 456 L C 0.012 176.868 176.870 -0.024 0.000 1.106 456 L CA -0.116 54.700 54.840 -0.039 0.000 0.824 456 L CB 0.834 42.829 42.059 -0.106 0.000 1.142 456 L HN 0.069 nan 8.230 nan 0.000 0.443 457 E N 6.700 126.906 120.200 0.010 0.000 2.480 457 E HA -0.017 4.333 4.350 0.000 0.000 0.258 457 E C -1.710 174.900 176.600 0.015 0.000 0.984 457 E CA -0.985 55.423 56.400 0.012 0.000 0.930 457 E CB 0.888 30.602 29.700 0.024 0.000 0.936 457 E HN 0.542 nan 8.360 nan 0.000 0.466 458 P HA -0.221 nan 4.420 nan 0.000 0.217 458 P C 0.987 178.301 177.300 0.023 0.000 1.148 458 P CA 1.623 64.723 63.100 -0.001 0.000 0.834 458 P CB 0.084 31.782 31.700 -0.004 0.000 0.783 459 S N -1.723 113.998 115.700 0.034 0.000 2.555 459 S HA 0.009 4.479 4.470 0.000 0.000 0.230 459 S C 1.512 176.160 174.600 0.080 0.000 0.978 459 S CA 0.624 58.853 58.200 0.048 0.000 0.934 459 S CB -0.607 62.617 63.200 0.039 0.000 0.766 459 S HN 0.121 nan 8.310 nan 0.000 0.533 460 K N 0.943 121.406 120.400 0.105 0.000 2.361 460 K HA 0.368 4.688 4.320 0.000 0.000 0.194 460 K C 1.646 178.380 176.600 0.223 0.000 1.032 460 K CA 0.009 56.416 56.287 0.199 0.000 1.048 460 K CB -0.190 32.462 32.500 0.253 0.000 0.842 460 K HN 0.423 nan 8.250 nan 0.000 0.526 461 I N 1.272 121.910 120.570 0.115 0.000 2.264 461 I HA -0.258 3.912 4.170 0.000 0.000 0.248 461 I C 1.817 178.018 176.117 0.141 0.000 1.111 461 I CA 1.359 62.707 61.300 0.081 0.000 1.382 461 I CB -0.587 37.411 38.000 -0.002 0.000 1.060 461 I HN 0.101 nan 8.210 nan 0.000 0.418 462 T N 0.331 114.959 114.554 0.123 0.000 2.812 462 T HA -0.184 4.166 4.350 0.000 0.000 0.264 462 T C 1.978 176.766 174.700 0.147 0.000 1.042 462 T CA 1.257 63.426 62.100 0.115 0.000 1.140 462 T CB -0.088 68.828 68.868 0.079 0.000 0.870 462 T HN 0.297 nan 8.240 nan 0.000 0.445 463 K N 0.127 120.647 120.400 0.199 0.000 2.057 463 K HA -0.072 4.248 4.320 0.000 0.000 0.206 463 K C 2.056 178.781 176.600 0.207 0.000 1.050 463 K CA 1.038 57.476 56.287 0.250 0.000 0.935 463 K CB -0.296 32.419 32.500 0.358 0.000 0.715 463 K HN 0.315 nan 8.250 nan 0.000 0.439 464 F N 2.268 122.179 119.950 -0.065 0.000 2.069 464 F HA -0.222 4.305 4.527 0.000 0.000 0.298 464 F C 2.262 177.968 175.800 -0.157 0.000 1.113 464 F CA 2.058 59.732 58.000 -0.543 0.000 1.214 464 F CB -0.300 38.384 39.000 -0.528 0.000 0.978 464 F HN 0.167 nan 8.300 nan 0.000 0.474 465 E N 0.182 120.484 120.200 0.170 0.000 2.058 465 E HA -0.267 4.083 4.350 0.000 0.000 0.194 465 E C 2.014 178.631 176.600 0.028 0.000 0.997 465 E CA 1.464 57.946 56.400 0.136 0.000 0.801 465 E CB -0.303 29.502 29.700 0.175 0.000 0.746 465 E HN 0.458 nan 8.360 nan 0.000 0.450 466 N N 0.303 119.025 118.700 0.038 0.000 2.104 466 N HA -0.177 4.563 4.740 0.000 0.000 0.190 466 N C 1.655 177.167 175.510 0.004 0.000 1.024 466 N CA 1.433 54.499 53.050 0.027 0.000 0.853 466 N CB -0.273 38.249 38.487 0.059 0.000 1.008 466 N HN 0.239 nan 8.380 nan 0.000 0.424 467 A N 0.390 123.216 122.820 0.011 0.000 1.898 467 A HA -0.039 4.282 4.320 0.000 0.000 0.214 467 A C 2.051 179.605 177.584 -0.050 0.000 1.183 467 A CA 0.481 52.572 52.037 0.090 0.000 0.622 467 A CB -0.800 18.362 19.000 0.269 0.000 0.824 467 A HN 0.253 nan 8.150 nan 0.000 0.444 468 F N 0.422 120.028 119.950 -0.573 0.000 2.095 468 F HA -0.182 4.345 4.527 0.000 0.000 0.298 468 F C 1.799 177.277 175.800 -0.536 0.000 1.104 468 F CA 1.753 59.094 58.000 -1.098 0.000 1.232 468 F CB -0.414 37.864 39.000 -1.203 0.000 0.987 468 F HN 0.183 nan 8.300 nan 0.000 0.475 469 L N 0.508 121.485 121.223 -0.409 0.000 1.994 469 L HA -0.187 4.153 4.340 0.000 0.000 0.208 469 L C 2.744 179.435 176.870 -0.297 0.000 1.071 469 L CA 2.308 56.922 54.840 -0.375 0.000 0.745 469 L CB -1.283 40.688 42.059 -0.147 0.000 0.892 469 L HN 0.321 nan 8.230 nan 0.000 0.431 470 S N -1.910 113.691 115.700 -0.166 0.000 2.383 470 S HA -0.298 4.172 4.470 0.000 0.000 0.229 470 S C 1.975 176.515 174.600 -0.100 0.000 1.030 470 S CA 1.253 59.394 58.200 -0.099 0.000 1.002 470 S CB -0.961 62.224 63.200 -0.025 0.000 0.829 470 S HN 0.671 nan 8.310 nan 0.000 0.467 471 H N 2.938 121.864 119.070 -0.241 0.000 2.253 471 H HA -0.082 4.475 4.556 0.000 0.000 0.296 471 H C 2.212 177.404 175.328 -0.225 0.000 1.074 471 H CA 2.487 58.411 56.048 -0.206 0.000 1.263 471 H CB -0.882 28.719 29.762 -0.268 0.000 1.363 471 H HN 0.266 nan 8.280 nan 0.000 0.489 472 V N -0.779 118.759 119.914 -0.625 0.000 2.469 472 V HA -0.184 3.936 4.120 0.000 0.000 0.251 472 V C 2.520 178.420 176.094 -0.323 0.000 1.064 472 V CA 2.123 64.102 62.300 -0.534 0.000 1.066 472 V CB -0.945 30.478 31.823 -0.668 0.000 0.667 472 V HN 0.458 nan 8.190 nan 0.000 0.461 473 I N 0.787 121.189 120.570 -0.280 0.000 2.439 473 I HA -0.134 4.036 4.170 0.000 0.000 0.251 473 I C 2.819 178.841 176.117 -0.158 0.000 1.139 473 I CA 1.650 62.837 61.300 -0.187 0.000 1.438 473 I CB -0.248 37.660 38.000 -0.152 0.000 1.085 473 I HN 0.449 nan 8.210 nan 0.000 0.427 474 S N 0.280 115.883 115.700 -0.162 0.000 2.377 474 S HA -0.113 4.357 4.470 0.000 0.000 0.223 474 S C 1.805 176.305 174.600 -0.167 0.000 1.030 474 S CA 1.165 59.292 58.200 -0.122 0.000 0.970 474 S CB 0.081 63.245 63.200 -0.060 0.000 0.830 474 S HN 0.472 nan 8.310 nan 0.000 0.473 475 Q N -1.349 118.284 119.800 -0.278 0.000 2.214 475 Q HA 0.232 4.572 4.340 0.000 0.000 0.229 475 Q C -0.260 175.372 176.000 -0.613 0.000 0.835 475 Q CA 0.128 55.683 55.803 -0.412 0.000 0.953 475 Q CB 0.646 29.111 28.738 -0.456 0.000 1.131 475 Q HN 0.623 nan 8.270 nan 0.000 0.501 476 H N 0.101 119.002 119.070 -0.281 0.000 2.591 476 H HA 0.187 4.743 4.556 0.000 0.000 0.241 476 H C 0.824 176.038 175.328 -0.190 0.000 1.292 476 H CA -0.221 55.684 56.048 -0.239 0.000 1.022 476 H CB 0.699 30.277 29.762 -0.306 0.000 1.875 476 H HN -0.007 nan 8.280 nan 0.000 0.570 477 Q N 0.516 120.260 119.800 -0.094 0.000 2.170 477 Q HA -0.079 4.261 4.340 0.000 0.000 0.203 477 Q C 2.212 178.177 176.000 -0.058 0.000 0.976 477 Q CA 1.188 56.942 55.803 -0.081 0.000 0.858 477 Q CB 0.056 28.744 28.738 -0.083 0.000 0.907 477 Q HN 0.652 nan 8.270 nan 0.000 0.433 478 A N 0.701 123.494 122.820 -0.046 0.000 1.898 478 A HA -0.111 4.209 4.320 0.000 0.000 0.216 478 A C 2.099 179.664 177.584 -0.031 0.000 1.181 478 A CA 0.820 52.837 52.037 -0.033 0.000 0.620 478 A CB -0.658 18.327 19.000 -0.024 0.000 0.819 478 A HN 0.359 nan 8.150 nan 0.000 0.442 479 L N -0.345 120.864 121.223 -0.023 0.000 2.017 479 L HA -0.140 4.200 4.340 0.000 0.000 0.208 479 L C 2.469 179.294 176.870 -0.075 0.000 1.073 479 L CA 1.552 56.359 54.840 -0.054 0.000 0.745 479 L CB -0.389 41.620 42.059 -0.083 0.000 0.894 479 L HN 0.425 nan 8.230 nan 0.000 0.432 480 L N -0.631 120.544 121.223 -0.080 0.000 2.083 480 L HA -0.153 4.187 4.340 0.000 0.000 0.209 480 L C 2.573 179.406 176.870 -0.062 0.000 1.083 480 L CA 1.322 56.111 54.840 -0.085 0.000 0.752 480 L CB -1.072 40.928 42.059 -0.098 0.000 0.899 480 L HN 0.361 nan 8.230 nan 0.000 0.433 481 G N -0.664 108.105 108.800 -0.053 0.000 2.448 481 G HA2 -0.211 3.749 3.960 0.000 0.000 0.218 481 G HA3 -0.211 3.749 3.960 0.000 0.000 0.218 481 G C 1.731 176.610 174.900 -0.034 0.000 1.135 481 G CA 0.262 45.338 45.100 -0.040 0.000 0.784 481 G HN 0.217 nan 8.290 nan 0.000 0.543 482 K N 0.003 120.381 120.400 -0.037 0.000 2.076 482 K HA 0.122 4.442 4.320 0.000 0.000 0.204 482 K C 2.445 179.026 176.600 -0.032 0.000 1.051 482 K CA 0.451 56.719 56.287 -0.031 0.000 0.949 482 K CB -0.175 32.306 32.500 -0.032 0.000 0.726 482 K HN 0.317 nan 8.250 nan 0.000 0.443 483 I N 0.600 121.145 120.570 -0.042 0.000 2.226 483 I HA -0.291 3.879 4.170 0.000 0.000 0.245 483 I C 2.686 178.788 176.117 -0.025 0.000 1.100 483 I CA 1.144 62.421 61.300 -0.039 0.000 1.374 483 I CB -0.233 37.735 38.000 -0.054 0.000 1.057 483 I HN 0.198 nan 8.210 nan 0.000 0.413 484 R N 0.229 120.714 120.500 -0.024 0.000 2.090 484 R HA -0.119 4.221 4.340 0.000 0.000 0.228 484 R C 2.284 178.579 176.300 -0.009 0.000 1.110 484 R CA 1.676 57.769 56.100 -0.013 0.000 0.973 484 R CB -0.119 30.174 30.300 -0.011 0.000 0.869 484 R HN 0.209 nan 8.270 nan 0.000 0.440 485 T N 0.847 115.393 114.554 -0.013 0.000 2.770 485 T HA -0.069 4.281 4.350 0.000 0.000 0.263 485 T C 0.899 175.593 174.700 -0.011 0.000 1.039 485 T CA 1.407 63.500 62.100 -0.011 0.000 1.142 485 T CB -0.135 68.725 68.868 -0.013 0.000 0.868 485 T HN 0.284 nan 8.240 nan 0.000 0.435 486 D N 0.384 120.776 120.400 -0.013 0.000 2.317 486 D HA 0.116 4.756 4.640 0.000 0.000 0.211 486 D C 1.573 177.867 176.300 -0.010 0.000 0.966 486 D CA 0.713 54.707 54.000 -0.011 0.000 0.876 486 D CB -0.452 40.342 40.800 -0.011 0.000 0.927 486 D HN 0.498 nan 8.370 nan 0.000 0.519 487 G N 1.326 110.120 108.800 -0.011 0.000 2.283 487 G HA2 -0.326 3.634 3.960 0.000 0.000 0.280 487 G HA3 -0.326 3.634 3.960 0.000 0.000 0.280 487 G C 0.344 175.241 174.900 -0.006 0.000 1.029 487 G CA 1.076 46.170 45.100 -0.009 0.000 0.840 487 G HN 0.481 nan 8.290 nan 0.000 0.505 488 K N -1.238 119.158 120.400 -0.006 0.000 2.617 488 K HA 0.595 4.915 4.320 0.000 0.000 0.293 488 K C -1.156 175.441 176.600 -0.005 0.000 1.034 488 K CA -1.196 55.091 56.287 -0.001 0.000 0.884 488 K CB 0.950 33.450 32.500 0.001 0.000 1.541 488 K HN 0.088 nan 8.250 nan 0.000 0.409 489 I N 3.265 123.838 120.570 0.004 0.000 2.337 489 I HA 0.137 4.307 4.170 0.000 0.000 0.285 489 I C 0.291 176.412 176.117 0.007 0.000 1.041 489 I CA -0.580 60.719 61.300 -0.003 0.000 1.199 489 I CB 1.386 39.395 38.000 0.014 0.000 1.370 489 I HN 0.601 nan 8.210 nan 0.000 0.470 490 S N 3.295 118.992 115.700 -0.005 0.000 2.589 490 S HA 0.150 4.620 4.470 0.000 0.000 0.265 490 S C 0.993 175.598 174.600 0.010 0.000 1.342 490 S CA -0.518 57.683 58.200 0.002 0.000 1.005 490 S CB 1.294 64.492 63.200 -0.004 0.000 0.909 490 S HN 0.546 nan 8.310 nan 0.000 0.555 491 E N 0.698 120.907 120.200 0.016 0.000 2.160 491 E HA -0.159 4.191 4.350 0.000 0.000 0.195 491 E C 1.865 178.476 176.600 0.018 0.000 0.991 491 E CA 1.714 58.129 56.400 0.024 0.000 0.810 491 E CB -0.246 29.468 29.700 0.022 0.000 0.742 491 E HN 0.883 nan 8.360 nan 0.000 0.466 492 E N -0.169 120.035 120.200 0.006 0.000 2.046 492 E HA -0.118 4.232 4.350 0.000 0.000 0.190 492 E C 1.846 178.436 176.600 -0.016 0.000 0.982 492 E CA 1.238 57.637 56.400 -0.001 0.000 0.800 492 E CB 0.008 29.706 29.700 -0.003 0.000 0.756 492 E HN 0.082 nan 8.360 nan 0.000 0.449 493 S N 0.778 116.461 115.700 -0.028 0.000 2.382 493 S HA -0.172 4.298 4.470 0.000 0.000 0.228 493 S C 1.578 176.127 174.600 -0.086 0.000 1.027 493 S CA 1.188 59.350 58.200 -0.063 0.000 0.991 493 S CB -0.316 62.842 63.200 -0.069 0.000 0.823 493 S HN 0.409 nan 8.310 nan 0.000 0.469 494 D N 1.482 121.863 120.400 -0.033 0.000 2.097 494 D HA -0.088 4.552 4.640 0.000 0.000 0.195 494 D C 2.061 178.387 176.300 0.043 0.000 0.989 494 D CA 1.250 55.260 54.000 0.017 0.000 0.827 494 D CB -0.121 40.736 40.800 0.096 0.000 0.966 494 D HN 0.357 nan 8.370 nan 0.000 0.456 495 A N 0.615 123.455 122.820 0.033 0.000 1.972 495 A HA -0.181 4.139 4.320 0.000 0.000 0.219 495 A C 2.165 179.754 177.584 0.009 0.000 1.169 495 A CA 1.831 53.890 52.037 0.038 0.000 0.635 495 A CB -0.400 18.617 19.000 0.029 0.000 0.810 495 A HN 0.176 nan 8.150 nan 0.000 0.446 496 K N -0.330 120.051 120.400 -0.031 0.000 2.167 496 K HA 0.157 4.477 4.320 0.000 0.000 0.203 496 K C 1.683 178.216 176.600 -0.111 0.000 1.052 496 K CA 0.796 57.045 56.287 -0.063 0.000 0.956 496 K CB -0.370 32.084 32.500 -0.077 0.000 0.735 496 K HN 0.443 nan 8.250 nan 0.000 0.451 497 L N 0.569 121.702 121.223 -0.149 0.000 2.056 497 L HA -0.125 4.215 4.340 0.000 0.000 0.207 497 L C 2.473 179.319 176.870 -0.040 0.000 1.078 497 L CA 1.353 56.073 54.840 -0.200 0.000 0.749 497 L CB -0.350 41.357 42.059 -0.587 0.000 0.901 497 L HN 0.205 nan 8.230 nan 0.000 0.433 498 K N 0.449 120.877 120.400 0.046 0.000 2.032 498 K HA -0.286 4.034 4.320 0.000 0.000 0.209 498 K C 2.057 178.608 176.600 -0.081 0.000 1.048 498 K CA 2.000 58.290 56.287 0.005 0.000 0.927 498 K CB -0.053 32.524 32.500 0.128 0.000 0.712 498 K HN 0.268 nan 8.250 nan 0.000 0.441 499 E N 0.479 120.666 120.200 -0.021 0.000 2.077 499 E HA -0.194 4.156 4.350 0.000 0.000 0.193 499 E C 1.937 178.546 176.600 0.015 0.000 0.989 499 E CA 1.430 57.830 56.400 0.000 0.000 0.800 499 E CB -0.069 29.641 29.700 0.016 0.000 0.746 499 E HN 0.401 nan 8.360 nan 0.000 0.452 500 I N 0.794 121.361 120.570 -0.005 0.000 2.202 500 I HA -0.212 3.958 4.170 0.000 0.000 0.242 500 I C 2.620 178.837 176.117 0.167 0.000 1.091 500 I CA 1.110 62.449 61.300 0.065 0.000 1.368 500 I CB -0.360 37.586 38.000 -0.090 0.000 1.058 500 I HN 0.191 nan 8.210 nan 0.000 0.410 501 V N -0.787 119.161 119.914 0.056 0.000 2.323 501 V HA -0.209 3.911 4.120 0.000 0.000 0.244 501 V C 2.599 178.690 176.094 -0.005 0.000 1.041 501 V CA 2.132 64.432 62.300 -0.000 0.000 1.025 501 V CB -1.750 29.933 31.823 -0.233 0.000 0.656 501 V HN 0.570 nan 8.190 nan 0.000 0.451 502 T N -0.867 113.592 114.554 -0.158 0.000 2.684 502 T HA -0.255 4.095 4.350 0.000 0.000 0.267 502 T C 1.916 176.656 174.700 0.067 0.000 1.036 502 T CA 2.075 64.139 62.100 -0.060 0.000 1.148 502 T CB -0.955 67.873 68.868 -0.067 0.000 0.863 502 T HN 0.536 nan 8.240 nan 0.000 0.436 503 N N 0.705 119.460 118.700 0.090 0.000 2.080 503 N HA -0.016 4.724 4.740 0.000 0.000 0.189 503 N C 1.605 177.209 175.510 0.158 0.000 1.036 503 N CA 1.330 54.448 53.050 0.113 0.000 0.846 503 N CB -0.620 37.935 38.487 0.112 0.000 1.015 503 N HN 0.457 nan 8.380 nan 0.000 0.423 504 F N 2.267 122.268 119.950 0.084 0.000 2.120 504 F HA -0.132 4.395 4.527 0.000 0.000 0.300 504 F C 2.344 178.246 175.800 0.171 0.000 1.095 504 F CA 0.993 59.046 58.000 0.088 0.000 1.249 504 F CB -0.328 38.751 39.000 0.130 0.000 0.995 504 F HN -0.010 nan 8.300 nan 0.000 0.480 505 L N -0.197 121.252 121.223 0.378 0.000 1.994 505 L HA -0.214 4.126 4.340 0.000 0.000 0.208 505 L C 2.650 179.648 176.870 0.214 0.000 1.071 505 L CA 1.665 56.739 54.840 0.389 0.000 0.745 505 L CB -0.964 41.259 42.059 0.272 0.000 0.892 505 L HN 0.282 nan 8.230 nan 0.000 0.431 506 A N -0.080 122.814 122.820 0.124 0.000 1.892 506 A HA -0.213 4.107 4.320 0.000 0.000 0.218 506 A C 2.280 179.878 177.584 0.023 0.000 1.188 506 A CA 1.929 54.006 52.037 0.066 0.000 0.631 506 A CB -1.454 17.576 19.000 0.050 0.000 0.822 506 A HN 0.562 nan 8.150 nan 0.000 0.447 507 G N -1.539 107.247 108.800 -0.024 0.000 2.421 507 G HA2 -0.233 3.727 3.960 0.000 0.000 0.216 507 G HA3 -0.233 3.727 3.960 0.000 0.000 0.216 507 G C 1.461 176.301 174.900 -0.100 0.000 1.171 507 G CA 1.125 46.168 45.100 -0.095 0.000 0.775 507 G HN 0.463 nan 8.290 nan 0.000 0.543 508 F N 1.512 121.295 119.950 -0.277 0.000 2.161 508 F HA -0.041 4.486 4.527 0.000 0.000 0.300 508 F C 2.532 178.299 175.800 -0.055 0.000 1.089 508 F CA 1.852 59.735 58.000 -0.195 0.000 1.282 508 F CB 0.025 38.968 39.000 -0.094 0.000 1.010 508 F HN 0.241 nan 8.300 nan 0.000 0.485 509 E N 0.274 120.496 120.200 0.036 0.000 2.502 509 E HA 0.143 4.493 4.350 0.000 0.000 0.194 509 E C 1.133 177.686 176.600 -0.079 0.000 1.062 509 E CA 0.074 56.454 56.400 -0.034 0.000 0.867 509 E CB -0.106 29.628 29.700 0.056 0.000 0.888 509 E HN 0.390 nan 8.360 nan 0.000 0.510 510 A N 0.000 122.767 122.820 -0.088 0.000 2.254 510 A HA 0.000 4.320 4.320 0.000 0.000 0.244 510 A CA 0.000 51.990 52.037 -0.079 0.000 0.836 510 A CB 0.000 18.953 19.000 -0.078 0.000 0.831 510 A HN 0.000 nan 8.150 nan 0.000 0.486