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 1qws_1_B DATA FIRST_RESID 27 DATA SEQUENCE DSLAPEDGSH RPAAEPTPPG AQPTAPGSLK APDTRNEKLN SLEDVRKGSE DATA SEQUENCE NYALTTNQGV RIADDQNSLR AGSRGPTLLE DFILREKITH FDHERIPERI DATA SEQUENCE VHARGSAAHG YFQPYKSLSD ITKADFLSDP NKITPVFVRF STVQGGAGSA DATA SEQUENCE DTVRNIRGFA TKFYTEEGIF DLVGNNTPIF FIQDAHKFPD FVHAVKPEPH DATA SEQUENCE WAIPQGQSAH DTFWDYVSLQ PETLHNVMWA MSDRGIPRSY RTMEGFGIHT DATA SEQUENCE FRLINAEGKA TFVRFHWKPL AGKASLVWDE AQKLTGRDPD FHRRELWEAI DATA SEQUENCE EAGDFPEYEL GFQLIPEEDE FKFDFDLLDP TKLIPEELVP VQRVGKMVLN DATA SEQUENCE RNPDNFFAEN EQAAFHPGHI VPGLDFTNDP LLQGRLFSYT DTQISRLGGP DATA SEQUENCE NFHEIPINRP TCPYHNFQRD GMHRMGIDTN PANYEPNSIN DNWPRETPPG DATA SEQUENCE PKRGGFESYQ ERVEGNKVRE RSPSFGEYYS HPRLFWLSQT PFEQRHIVDG DATA SEQUENCE FSFELSKVVR PYIRERVVDQ LAHIDLTLAQ AVAKNLGIEL TDDQLNITPP DATA SEQUENCE PDVNGLKKDP SLSLYAIPDG DVKGRVVAIL LNDEVRSADL LAILKALKAK DATA SEQUENCE GVHAKLLYSR MGEVTADDGT VLPIAATFAG APSLTVDAVI VPCGNIADIA DATA SEQUENCE DNGDANYYLM EAYKHLKPIA LAGDARKFKA TIKIADQGEE GIVEADSADG DATA SEQUENCE SFMDELLTLM AAHRVWSRIP KIDKIPA 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 27 D HA 0.000 nan 4.640 nan 0.000 0.175 27 D C 0.000 176.284 176.300 -0.027 0.000 2.045 27 D CA 0.000 53.987 54.000 -0.021 0.000 0.868 27 D CB 0.000 40.789 40.800 -0.019 0.000 0.688 28 S N 1.658 117.337 115.700 -0.036 0.000 2.703 28 S HA 0.138 4.591 4.470 -0.029 0.000 0.188 28 S C 0.442 175.007 174.600 -0.059 0.000 0.797 28 S CA -0.255 57.919 58.200 -0.044 0.000 0.888 28 S CB -0.300 62.880 63.200 -0.033 0.000 1.605 28 S HN 0.465 nan 8.310 nan 0.000 0.553 29 L N 0.750 121.931 121.223 -0.071 0.000 2.307 29 L HA 0.434 4.757 4.340 -0.029 0.000 0.211 29 L C 1.468 178.266 176.870 -0.119 0.000 1.099 29 L CA 0.554 55.348 54.840 -0.076 0.000 0.816 29 L CB -0.309 41.715 42.059 -0.058 0.000 0.952 29 L HN 0.467 nan 8.230 nan 0.000 0.455 30 A N 1.418 124.115 122.820 -0.205 0.000 2.425 30 A HA 0.351 4.654 4.320 -0.029 0.000 0.242 30 A C -2.054 175.395 177.584 -0.225 0.000 1.077 30 A CA -0.839 50.973 52.037 -0.375 0.000 0.781 30 A CB -0.594 17.892 19.000 -0.855 0.000 1.020 30 A HN 0.009 nan 8.150 nan 0.000 0.494 31 P HA 0.137 nan 4.420 nan 0.000 0.279 31 P C 0.425 177.714 177.300 -0.019 0.000 1.239 31 P CA -0.287 62.785 63.100 -0.047 0.000 0.789 31 P CB 0.981 32.685 31.700 0.008 0.000 0.933 32 E N 2.758 122.953 120.200 -0.008 0.000 2.265 32 E HA -0.227 4.106 4.350 -0.029 0.000 0.196 32 E C 0.868 177.489 176.600 0.035 0.000 0.996 32 E CA 1.337 57.742 56.400 0.009 0.000 0.832 32 E CB -0.605 29.096 29.700 0.001 0.000 0.756 32 E HN 0.585 nan 8.360 nan 0.000 0.491 33 D N 1.512 121.935 120.400 0.040 0.000 2.178 33 D HA -0.094 4.529 4.640 -0.029 0.000 0.202 33 D C 1.301 177.643 176.300 0.070 0.000 0.974 33 D CA 1.570 55.598 54.000 0.045 0.000 0.841 33 D CB -0.330 40.490 40.800 0.035 0.000 0.953 33 D HN 0.348 nan 8.370 nan 0.000 0.478 34 G N 0.471 109.348 108.800 0.129 0.000 2.203 34 G HA2 -0.286 3.656 3.960 -0.029 0.000 0.231 34 G HA3 -0.286 3.656 3.960 -0.029 0.000 0.231 34 G C 0.718 175.689 174.900 0.119 0.000 1.058 34 G CA 0.822 46.037 45.100 0.192 0.000 0.781 34 G HN 0.522 nan 8.290 nan 0.000 0.496 35 S N 0.109 115.890 115.700 0.135 0.000 2.453 35 S HA -0.109 4.344 4.470 -0.029 0.000 0.231 35 S C 2.262 176.907 174.600 0.075 0.000 1.005 35 S CA 1.506 59.751 58.200 0.076 0.000 0.949 35 S CB -0.382 62.856 63.200 0.064 0.000 0.774 35 S HN 0.992 nan 8.310 nan 0.000 0.510 36 H N 0.698 119.775 119.070 0.012 0.000 2.491 36 H HA 0.120 4.658 4.556 -0.029 0.000 0.290 36 H C 0.982 176.322 175.328 0.020 0.000 1.050 36 H CA 0.760 56.817 56.048 0.014 0.000 1.309 36 H CB -0.313 29.456 29.762 0.011 0.000 1.392 36 H HN 0.368 nan 8.280 nan 0.000 0.554 37 R N 2.119 122.342 120.500 -0.461 0.000 2.409 37 R HA 0.339 4.661 4.340 -0.029 0.000 0.313 37 R C -2.677 173.532 176.300 -0.153 0.000 0.953 37 R CA -2.013 53.872 56.100 -0.358 0.000 0.849 37 R CB 1.446 31.419 30.300 -0.546 0.000 1.171 37 R HN 0.064 nan 8.270 nan 0.000 0.458 38 P HA 0.079 nan 4.420 nan 0.000 0.269 38 P C -0.731 176.562 177.300 -0.011 0.000 1.209 38 P CA -0.286 62.804 63.100 -0.017 0.000 0.776 38 P CB 0.931 32.645 31.700 0.024 0.000 0.876 39 A N 2.565 125.385 122.820 0.000 0.000 2.540 39 A HA 0.349 4.652 4.320 -0.029 0.000 0.239 39 A C 1.011 178.607 177.584 0.020 0.000 1.061 39 A CA 0.181 52.222 52.037 0.006 0.000 0.758 39 A CB -0.424 18.582 19.000 0.010 0.000 0.991 39 A HN 0.591 nan 8.150 nan 0.000 0.502 40 A N 2.946 125.777 122.820 0.018 0.000 3.135 40 A HA 0.519 4.821 4.320 -0.029 0.000 0.253 40 A C 0.174 177.776 177.584 0.031 0.000 1.638 40 A CA 0.214 52.267 52.037 0.026 0.000 1.295 40 A CB -0.954 18.058 19.000 0.020 0.000 1.106 40 A HN 0.980 nan 8.150 nan 0.000 0.648 41 E N -1.045 119.177 120.200 0.036 0.000 2.388 41 E HA 0.437 4.769 4.350 -0.029 0.000 0.281 41 E C -3.314 173.311 176.600 0.040 0.000 1.046 41 E CA -2.104 54.318 56.400 0.037 0.000 0.825 41 E CB 0.467 30.183 29.700 0.028 0.000 1.243 41 E HN 0.021 nan 8.360 nan 0.000 0.438 42 P HA 0.036 nan 4.420 nan 0.000 0.263 42 P C -0.565 176.749 177.300 0.024 0.000 1.195 42 P CA 0.216 63.337 63.100 0.034 0.000 0.762 42 P CB 0.400 32.111 31.700 0.017 0.000 0.799 43 T N 0.931 115.496 114.554 0.018 0.000 2.900 43 T HA 0.616 4.949 4.350 -0.029 0.000 0.295 43 T C -3.002 171.672 174.700 -0.044 0.000 1.044 43 T CA -2.793 59.309 62.100 0.003 0.000 0.995 43 T CB 1.403 70.278 68.868 0.012 0.000 1.072 43 T HN 0.010 nan 8.240 nan 0.000 0.473 44 P HA 0.304 nan 4.420 nan 0.000 0.270 44 P C -2.624 174.531 177.300 -0.241 0.000 1.223 44 P CA -1.235 61.692 63.100 -0.288 0.000 0.785 44 P CB -0.877 30.732 31.700 -0.152 0.000 0.923 45 P HA 0.022 nan 4.420 nan 0.000 0.261 45 P C 1.014 178.277 177.300 -0.060 0.000 1.183 45 P CA 1.618 64.633 63.100 -0.140 0.000 0.761 45 P CB -0.232 31.390 31.700 -0.131 0.000 0.785 46 G N 2.964 111.756 108.800 -0.014 0.000 2.199 46 G HA2 -0.328 3.615 3.960 -0.029 0.000 0.254 46 G HA3 -0.328 3.615 3.960 -0.029 0.000 0.254 46 G C 1.106 176.009 174.900 0.006 0.000 0.982 46 G CA 0.376 45.480 45.100 0.006 0.000 0.632 46 G HN 0.664 nan 8.290 nan 0.000 0.529 47 A N -1.124 121.694 122.820 -0.003 0.000 1.930 47 A HA 0.440 4.743 4.320 -0.029 0.000 0.215 47 A C 1.337 178.927 177.584 0.011 0.000 1.176 47 A CA 1.892 53.931 52.037 0.003 0.000 0.632 47 A CB 0.033 19.031 19.000 -0.002 0.000 0.819 47 A HN 0.487 nan 8.150 nan 0.000 0.445 48 Q N -0.950 118.860 119.800 0.017 0.000 2.456 48 Q HA 0.428 4.750 4.340 -0.029 0.000 0.283 48 Q C -2.946 173.073 176.000 0.032 0.000 1.084 48 Q CA -2.057 53.760 55.803 0.023 0.000 0.801 48 Q CB 1.181 29.936 28.738 0.028 0.000 1.434 48 Q HN 0.070 nan 8.270 nan 0.000 0.419 49 P HA 0.037 nan 4.420 nan 0.000 0.268 49 P C -0.271 177.064 177.300 0.060 0.000 1.204 49 P CA 0.085 63.202 63.100 0.030 0.000 0.768 49 P CB 0.241 31.954 31.700 0.021 0.000 0.842 50 T N -0.132 114.460 114.554 0.064 0.000 2.860 50 T HA 0.589 4.922 4.350 -0.029 0.000 0.299 50 T C 0.014 174.806 174.700 0.153 0.000 1.045 50 T CA -0.505 61.688 62.100 0.155 0.000 1.071 50 T CB 0.672 69.570 68.868 0.049 0.000 0.985 50 T HN 0.557 nan 8.240 nan 0.000 0.537 51 A N 1.760 124.776 122.820 0.327 0.000 2.606 51 A HA 0.752 5.055 4.320 -0.029 0.000 0.293 51 A C -3.055 174.803 177.584 0.457 0.000 1.082 51 A CA -2.026 50.174 52.037 0.271 0.000 0.685 51 A CB 0.667 19.774 19.000 0.178 0.000 1.284 51 A HN 0.651 nan 8.150 nan 0.000 0.408 52 P HA 0.078 nan 4.420 nan 0.000 0.263 52 P C 1.277 178.733 177.300 0.259 0.000 1.175 52 P CA 1.091 64.413 63.100 0.369 0.000 0.761 52 P CB 0.521 32.356 31.700 0.225 0.000 0.794 53 G N 2.739 111.651 108.800 0.188 0.000 2.469 53 G HA2 -0.315 3.628 3.960 -0.029 0.000 0.219 53 G HA3 -0.315 3.628 3.960 -0.029 0.000 0.219 53 G C 1.592 176.506 174.900 0.024 0.000 1.150 53 G CA 1.160 46.273 45.100 0.022 0.000 0.763 53 G HN 0.589 nan 8.290 nan 0.000 0.561 54 S N -0.000 115.722 115.700 0.037 0.000 2.447 54 S HA 0.116 4.569 4.470 -0.029 0.000 0.233 54 S C 2.230 176.850 174.600 0.033 0.000 1.006 54 S CA 0.894 59.103 58.200 0.014 0.000 0.957 54 S CB -0.184 63.021 63.200 0.008 0.000 0.773 54 S HN 0.326 nan 8.310 nan 0.000 0.507 55 L N -0.124 121.137 121.223 0.062 0.000 2.298 55 L HA 0.248 4.571 4.340 -0.029 0.000 0.209 55 L C 2.691 179.595 176.870 0.057 0.000 1.084 55 L CA 0.873 55.749 54.840 0.060 0.000 0.816 55 L CB -0.347 41.757 42.059 0.075 0.000 0.967 55 L HN 0.266 nan 8.230 nan 0.000 0.460 56 K N 1.495 121.940 120.400 0.074 0.000 2.076 56 K HA 0.032 4.335 4.320 -0.029 0.000 0.204 56 K C 0.770 177.400 176.600 0.049 0.000 1.051 56 K CA 1.326 57.657 56.287 0.072 0.000 0.949 56 K CB 0.098 32.658 32.500 0.100 0.000 0.726 56 K HN 0.134 nan 8.250 nan 0.000 0.443 57 A N 0.994 123.834 122.820 0.033 0.000 3.258 57 A HA 0.358 4.660 4.320 -0.029 0.000 0.318 57 A C -2.195 175.394 177.584 0.008 0.000 0.990 57 A CA -1.054 50.999 52.037 0.027 0.000 0.885 57 A CB 0.617 19.636 19.000 0.031 0.000 1.090 57 A HN 0.187 nan 8.150 nan 0.000 0.479 58 P HA -0.080 nan 4.420 nan 0.000 0.226 58 P C -0.099 177.195 177.300 -0.010 0.000 1.153 58 P CA 1.088 64.187 63.100 -0.001 0.000 0.777 58 P CB 0.339 32.043 31.700 0.007 0.000 0.794 59 D N -1.000 119.398 120.400 -0.003 0.000 2.402 59 D HA 0.054 4.676 4.640 -0.029 0.000 0.216 59 D C 0.114 176.405 176.300 -0.014 0.000 1.128 59 D CA 0.313 54.308 54.000 -0.008 0.000 0.833 59 D CB 0.034 40.835 40.800 0.003 0.000 0.971 59 D HN 0.065 nan 8.370 nan 0.000 0.503 60 T N 1.874 116.416 114.554 -0.020 0.000 2.729 60 T HA 0.337 4.670 4.350 -0.029 0.000 0.296 60 T C 0.486 175.143 174.700 -0.071 0.000 0.928 60 T CA -0.196 61.879 62.100 -0.043 0.000 1.045 60 T CB 1.211 70.048 68.868 -0.051 0.000 0.902 60 T HN -0.111 nan 8.240 nan 0.000 0.500 61 R N 2.986 123.438 120.500 -0.080 0.000 2.795 61 R HA 0.616 4.938 4.340 -0.029 0.000 0.275 61 R C -0.657 175.584 176.300 -0.098 0.000 0.981 61 R CA -1.020 55.026 56.100 -0.090 0.000 0.917 61 R CB 1.854 32.110 30.300 -0.073 0.000 1.202 61 R HN 0.772 nan 8.270 nan 0.000 0.469 62 N N -1.327 117.317 118.700 -0.093 0.000 2.825 62 N HA 0.001 4.724 4.740 -0.029 0.000 0.253 62 N C 0.142 175.607 175.510 -0.074 0.000 1.426 62 N CA -0.888 52.120 53.050 -0.070 0.000 0.851 62 N CB 0.859 39.335 38.487 -0.018 0.000 1.470 62 N HN 0.619 nan 8.380 nan 0.000 0.517 63 E N -0.055 120.117 120.200 -0.048 0.000 2.118 63 E HA -0.279 4.053 4.350 -0.029 0.000 0.195 63 E C 1.066 177.597 176.600 -0.115 0.000 0.992 63 E CA 1.405 57.771 56.400 -0.057 0.000 0.804 63 E CB 0.061 29.752 29.700 -0.016 0.000 0.741 63 E HN 0.497 nan 8.360 nan 0.000 0.458 64 K N 0.790 121.088 120.400 -0.171 0.000 2.057 64 K HA -0.100 4.202 4.320 -0.029 0.000 0.207 64 K C 2.092 178.530 176.600 -0.271 0.000 1.049 64 K CA 1.292 57.384 56.287 -0.325 0.000 0.931 64 K CB -0.399 31.745 32.500 -0.594 0.000 0.714 64 K HN 0.221 nan 8.250 nan 0.000 0.440 65 L N 0.569 121.648 121.223 -0.240 0.000 2.056 65 L HA -0.160 4.163 4.340 -0.029 0.000 0.207 65 L C 1.904 178.661 176.870 -0.188 0.000 1.078 65 L CA 1.088 55.761 54.840 -0.280 0.000 0.749 65 L CB -0.568 41.312 42.059 -0.297 0.000 0.901 65 L HN 0.231 nan 8.230 nan 0.000 0.433 66 N N -0.044 118.571 118.700 -0.141 0.000 2.104 66 N HA -0.183 4.540 4.740 -0.029 0.000 0.190 66 N C 2.036 177.487 175.510 -0.097 0.000 1.024 66 N CA 1.803 54.792 53.050 -0.101 0.000 0.853 66 N CB -0.472 37.968 38.487 -0.078 0.000 1.008 66 N HN 0.355 nan 8.380 nan 0.000 0.424 67 S N 0.138 115.770 115.700 -0.113 0.000 2.481 67 S HA 0.046 4.498 4.470 -0.029 0.000 0.231 67 S C 1.798 176.338 174.600 -0.101 0.000 0.996 67 S CA 0.331 58.472 58.200 -0.098 0.000 0.942 67 S CB -0.417 62.722 63.200 -0.101 0.000 0.768 67 S HN 0.248 nan 8.310 nan 0.000 0.520 68 L N 0.733 121.881 121.223 -0.126 0.000 2.552 68 L HA 0.161 4.484 4.340 -0.029 0.000 0.227 68 L C 2.650 179.473 176.870 -0.078 0.000 1.146 68 L CA 0.648 55.421 54.840 -0.112 0.000 0.858 68 L CB -0.374 41.599 42.059 -0.145 0.000 0.969 68 L HN 0.298 nan 8.230 nan 0.000 0.451 69 E N 1.065 121.223 120.200 -0.071 0.000 2.160 69 E HA -0.260 4.072 4.350 -0.029 0.000 0.195 69 E C 1.709 178.289 176.600 -0.032 0.000 0.991 69 E CA 1.516 57.888 56.400 -0.047 0.000 0.810 69 E CB -0.064 29.611 29.700 -0.043 0.000 0.742 69 E HN 0.558 nan 8.360 nan 0.000 0.466 70 D N -0.354 120.026 120.400 -0.034 0.000 2.265 70 D HA -0.155 4.467 4.640 -0.029 0.000 0.208 70 D C 1.633 177.921 176.300 -0.021 0.000 0.977 70 D CA 1.637 55.622 54.000 -0.025 0.000 0.871 70 D CB -0.327 40.456 40.800 -0.027 0.000 0.925 70 D HN 0.315 nan 8.370 nan 0.000 0.485 71 V N -3.548 116.352 119.914 -0.024 0.000 3.643 71 V HA 0.314 4.416 4.120 -0.029 0.000 0.280 71 V C 0.857 176.947 176.094 -0.006 0.000 1.351 71 V CA -0.658 61.634 62.300 -0.014 0.000 1.073 71 V CB -0.484 31.331 31.823 -0.013 0.000 0.863 71 V HN -0.156 nan 8.190 nan 0.000 0.436 72 R N 2.270 122.765 120.500 -0.009 0.000 2.449 72 R HA 0.334 4.657 4.340 -0.029 0.000 0.296 72 R C -0.107 176.200 176.300 0.011 0.000 1.047 72 R CA 0.121 56.224 56.100 0.005 0.000 1.018 72 R CB 0.606 30.907 30.300 0.003 0.000 0.962 72 R HN 0.358 nan 8.270 nan 0.000 0.428 73 K N 1.919 122.330 120.400 0.019 0.000 2.265 73 K HA 0.251 4.554 4.320 -0.029 0.000 0.267 73 K C 0.172 176.799 176.600 0.046 0.000 0.994 73 K CA -0.349 55.944 56.287 0.009 0.000 0.860 73 K CB 1.596 34.087 32.500 -0.015 0.000 1.099 73 K HN 0.739 nan 8.250 nan 0.000 0.448 74 G N 0.766 109.617 108.800 0.086 0.000 2.489 74 G HA2 0.126 4.069 3.960 -0.029 0.000 0.271 74 G HA3 0.126 4.069 3.960 -0.029 0.000 0.271 74 G C 0.466 175.494 174.900 0.213 0.000 1.427 74 G CA 0.254 45.452 45.100 0.163 0.000 1.057 74 G HN 0.697 nan 8.290 nan 0.000 0.532 75 S N -2.564 113.322 115.700 0.310 0.000 2.961 75 S HA 0.123 4.575 4.470 -0.029 0.000 0.253 75 S C 0.209 174.960 174.600 0.250 0.000 1.029 75 S CA -0.180 58.191 58.200 0.284 0.000 1.087 75 S CB 0.146 63.433 63.200 0.145 0.000 0.932 75 S HN 0.532 nan 8.310 nan 0.000 0.418 76 E N 3.119 123.376 120.200 0.095 0.000 2.360 76 E HA 0.426 4.758 4.350 -0.029 0.000 0.269 76 E C -0.280 176.198 176.600 -0.204 0.000 1.022 76 E CA -0.149 56.237 56.400 -0.023 0.000 0.887 76 E CB 0.126 29.811 29.700 -0.025 0.000 0.990 76 E HN 0.340 nan 8.360 nan 0.000 0.426 77 N N 0.410 119.023 118.700 -0.144 0.000 2.909 77 N HA -0.202 4.520 4.740 -0.029 0.000 0.242 77 N C -1.052 174.325 175.510 -0.222 0.000 0.975 77 N CA 1.140 54.071 53.050 -0.198 0.000 0.921 77 N CB -1.365 36.971 38.487 -0.252 0.000 1.112 77 N HN 0.400 nan 8.380 nan 0.000 0.581 78 Y N 0.744 121.051 120.300 0.010 0.000 2.376 78 Y HA 0.625 5.158 4.550 -0.029 0.000 0.325 78 Y C 1.039 176.942 175.900 0.006 0.000 1.199 78 Y CA -0.675 57.430 58.100 0.008 0.000 1.206 78 Y CB 0.879 39.344 38.460 0.009 0.000 1.229 78 Y HN 0.128 nan 8.280 nan 0.000 0.480 79 A N 2.561 125.496 122.820 0.190 0.000 2.407 79 A HA 0.369 4.671 4.320 -0.029 0.000 0.248 79 A C -0.613 177.019 177.584 0.081 0.000 1.082 79 A CA -0.559 51.538 52.037 0.100 0.000 0.785 79 A CB 0.013 19.058 19.000 0.075 0.000 1.020 79 A HN 0.722 nan 8.150 nan 0.000 0.489 80 L N 3.070 124.323 121.223 0.049 0.000 2.477 80 L HA 0.415 4.737 4.340 -0.029 0.000 0.272 80 L C 0.738 177.617 176.870 0.015 0.000 1.157 80 L CA 1.292 56.147 54.840 0.025 0.000 0.889 80 L CB -0.007 42.059 42.059 0.011 0.000 1.158 80 L HN 0.893 nan 8.230 nan 0.000 0.473 81 T N 0.546 115.104 114.554 0.006 0.000 2.907 81 T HA 0.670 5.003 4.350 -0.029 0.000 0.290 81 T C 0.233 174.935 174.700 0.003 0.000 1.066 81 T CA -0.191 61.914 62.100 0.008 0.000 1.012 81 T CB 1.102 69.976 68.868 0.010 0.000 1.184 81 T HN 0.775 nan 8.240 nan 0.000 0.522 82 T N 0.497 115.067 114.554 0.027 0.000 2.748 82 T HA 0.179 4.512 4.350 -0.029 0.000 0.304 82 T C 1.153 175.869 174.700 0.027 0.000 1.041 82 T CA -0.503 61.622 62.100 0.041 0.000 1.033 82 T CB -0.063 68.873 68.868 0.113 0.000 0.995 82 T HN 0.582 nan 8.240 nan 0.000 0.536 83 N N 0.651 119.368 118.700 0.029 0.000 2.443 83 N HA -0.092 4.630 4.740 -0.029 0.000 0.184 83 N C 1.606 177.134 175.510 0.030 0.000 1.037 83 N CA 0.704 53.766 53.050 0.019 0.000 0.896 83 N CB -0.203 38.306 38.487 0.035 0.000 0.959 83 N HN 0.572 nan 8.380 nan 0.000 0.442 84 Q N -0.590 119.240 119.800 0.050 0.000 2.403 84 Q HA 0.164 4.487 4.340 -0.029 0.000 0.203 84 Q C 0.947 176.966 176.000 0.032 0.000 0.932 84 Q CA 0.339 56.167 55.803 0.041 0.000 0.945 84 Q CB 0.405 29.174 28.738 0.052 0.000 1.045 84 Q HN 0.442 nan 8.270 nan 0.000 0.511 85 G N 0.337 109.155 108.800 0.030 0.000 2.157 85 G HA2 -0.235 3.708 3.960 -0.029 0.000 0.239 85 G HA3 -0.235 3.708 3.960 -0.029 0.000 0.239 85 G C 0.131 175.053 174.900 0.038 0.000 0.982 85 G CA 0.127 45.239 45.100 0.019 0.000 0.650 85 G HN 0.219 nan 8.290 nan 0.000 0.527 86 V N 2.004 121.958 119.914 0.067 0.000 2.488 86 V HA 0.340 4.442 4.120 -0.029 0.000 0.277 86 V C 1.314 177.449 176.094 0.067 0.000 1.046 86 V CA -0.453 61.900 62.300 0.089 0.000 0.986 86 V CB 1.000 32.925 31.823 0.170 0.000 0.989 86 V HN 0.401 nan 8.190 nan 0.000 0.475 87 R N 4.568 125.099 120.500 0.053 0.000 2.537 87 R HA 0.353 4.675 4.340 -0.029 0.000 0.280 87 R C -0.529 175.786 176.300 0.024 0.000 1.058 87 R CA -0.068 56.053 56.100 0.035 0.000 1.057 87 R CB 0.480 30.800 30.300 0.034 0.000 0.973 87 R HN 0.570 nan 8.270 nan 0.000 0.438 88 I N 2.020 122.592 120.570 0.003 0.000 2.353 88 I HA 0.124 4.276 4.170 -0.029 0.000 0.293 88 I C 0.981 177.087 176.117 -0.018 0.000 0.992 88 I CA 0.035 61.320 61.300 -0.024 0.000 1.268 88 I CB 1.885 39.860 38.000 -0.042 0.000 1.387 88 I HN 0.773 nan 8.210 nan 0.000 0.478 89 A N 4.012 126.817 122.820 -0.025 0.000 1.911 89 A HA 0.018 4.321 4.320 -0.029 0.000 0.212 89 A C 0.643 178.211 177.584 -0.026 0.000 1.189 89 A CA 0.939 52.965 52.037 -0.018 0.000 0.639 89 A CB 0.063 19.055 19.000 -0.014 0.000 0.839 89 A HN 0.682 nan 8.150 nan 0.000 0.449 90 D N -0.640 119.736 120.400 -0.040 0.000 2.421 90 D HA 0.314 4.937 4.640 -0.029 0.000 0.254 90 D C -1.369 174.899 176.300 -0.054 0.000 1.238 90 D CA -0.377 53.598 54.000 -0.041 0.000 0.919 90 D CB 1.177 41.952 40.800 -0.040 0.000 1.152 90 D HN 0.055 nan 8.370 nan 0.000 0.552 91 D N 2.086 122.458 120.400 -0.047 0.000 2.395 91 D HA 0.051 4.674 4.640 -0.029 0.000 0.226 91 D C 0.618 176.886 176.300 -0.053 0.000 1.146 91 D CA 0.290 54.258 54.000 -0.054 0.000 0.830 91 D CB 0.498 41.271 40.800 -0.045 0.000 0.958 91 D HN 0.244 nan 8.370 nan 0.000 0.501 92 Q N -0.688 119.082 119.800 -0.049 0.000 2.280 92 Q HA 0.257 4.580 4.340 -0.029 0.000 0.228 92 Q C -0.168 175.803 176.000 -0.049 0.000 0.857 92 Q CA 0.181 55.956 55.803 -0.047 0.000 0.939 92 Q CB 0.788 29.503 28.738 -0.038 0.000 1.114 92 Q HN 0.192 nan 8.270 nan 0.000 0.514 93 N N 0.309 118.978 118.700 -0.053 0.000 2.264 93 N HA 0.290 5.013 4.740 -0.029 0.000 0.288 93 N C -0.973 174.502 175.510 -0.058 0.000 1.094 93 N CA -0.220 52.800 53.050 -0.050 0.000 0.817 93 N CB 2.141 40.603 38.487 -0.041 0.000 1.604 93 N HN -0.160 nan 8.380 nan 0.000 0.473 94 S N 0.806 116.474 115.700 -0.053 0.000 2.593 94 S HA 0.212 4.665 4.470 -0.029 0.000 0.269 94 S C 0.254 174.827 174.600 -0.045 0.000 1.334 94 S CA -0.521 57.648 58.200 -0.052 0.000 1.015 94 S CB 0.618 63.794 63.200 -0.040 0.000 0.912 94 S HN 0.394 nan 8.310 nan 0.000 0.541 95 L N 3.273 124.469 121.223 -0.045 0.000 2.319 95 L HA 0.395 4.717 4.340 -0.029 0.000 0.280 95 L C 0.122 176.983 176.870 -0.016 0.000 1.099 95 L CA 0.355 55.177 54.840 -0.030 0.000 0.828 95 L CB -0.073 41.970 42.059 -0.026 0.000 1.150 95 L HN 0.706 nan 8.230 nan 0.000 0.442 96 R N 4.212 124.705 120.500 -0.012 0.000 2.867 96 R HA 0.872 5.195 4.340 -0.029 0.000 0.268 96 R C -1.084 175.215 176.300 -0.002 0.000 1.014 96 R CA -0.906 55.190 56.100 -0.007 0.000 0.946 96 R CB 1.116 31.410 30.300 -0.010 0.000 1.208 96 R HN 0.589 nan 8.270 nan 0.000 0.477 97 A N 1.259 124.080 122.820 0.000 0.000 2.527 97 A HA 0.580 4.883 4.320 -0.029 0.000 0.313 97 A C 0.586 178.170 177.584 -0.000 0.000 1.410 97 A CA 0.292 52.330 52.037 0.002 0.000 1.060 97 A CB -0.821 18.181 19.000 0.004 0.000 1.137 97 A HN 1.188 nan 8.150 nan 0.000 0.542 98 G N 1.415 110.214 108.800 -0.001 0.000 2.705 98 G HA2 0.029 3.971 3.960 -0.029 0.000 0.686 98 G HA3 0.029 3.971 3.960 -0.029 0.000 0.686 98 G C 0.694 175.590 174.900 -0.005 0.000 1.285 98 G CA 0.154 45.252 45.100 -0.003 0.000 0.800 98 G HN 1.899 nan 8.290 nan 0.000 0.611 99 S N -0.000 115.696 115.700 -0.007 0.000 2.507 99 S HA -0.009 4.444 4.470 -0.029 0.000 0.235 99 S C 1.536 176.130 174.600 -0.010 0.000 0.988 99 S CA 1.410 59.605 58.200 -0.009 0.000 0.944 99 S CB 0.070 63.264 63.200 -0.010 0.000 0.762 99 S HN 0.757 nan 8.310 nan 0.000 0.526 100 R N 0.968 121.463 120.500 -0.008 0.000 2.633 100 R HA 0.358 4.681 4.340 -0.029 0.000 0.348 100 R C 0.854 177.150 176.300 -0.006 0.000 1.100 100 R CA 0.008 56.103 56.100 -0.008 0.000 1.068 100 R CB 0.755 31.051 30.300 -0.007 0.000 1.351 100 R HN 0.440 nan 8.270 nan 0.000 0.575 101 G N 1.558 110.354 108.800 -0.006 0.000 2.557 101 G HA2 0.391 4.333 3.960 -0.029 0.000 0.302 101 G HA3 0.391 4.333 3.960 -0.029 0.000 0.302 101 G C -2.413 172.485 174.900 -0.004 0.000 1.311 101 G CA -1.175 43.923 45.100 -0.004 0.000 1.030 101 G HN -0.095 nan 8.290 nan 0.000 0.509 102 P HA 0.216 nan 4.420 nan 0.000 0.275 102 P C -0.133 177.167 177.300 -0.001 0.000 1.227 102 P CA -0.062 63.037 63.100 -0.001 0.000 0.781 102 P CB 0.798 32.499 31.700 0.002 0.000 0.906 103 T N 3.105 117.658 114.554 -0.002 0.000 2.916 103 T HA 0.208 4.541 4.350 -0.029 0.000 0.303 103 T C 0.509 175.213 174.700 0.005 0.000 1.025 103 T CA -0.020 62.078 62.100 -0.002 0.000 1.142 103 T CB -0.051 68.813 68.868 -0.006 0.000 0.947 103 T HN 0.191 nan 8.240 nan 0.000 0.544 104 L N 3.875 125.103 121.223 0.008 0.000 2.307 104 L HA 0.279 4.602 4.340 -0.029 0.000 0.282 104 L C 1.406 178.293 176.870 0.028 0.000 1.051 104 L CA -0.832 54.019 54.840 0.018 0.000 0.804 104 L CB 0.945 43.016 42.059 0.020 0.000 1.197 104 L HN 0.504 nan 8.230 nan 0.000 0.431 105 L N 2.727 123.969 121.223 0.033 0.000 2.189 105 L HA -0.221 4.102 4.340 -0.029 0.000 0.214 105 L C 2.314 179.224 176.870 0.067 0.000 1.097 105 L CA 1.767 56.633 54.840 0.044 0.000 0.764 105 L CB -0.607 41.476 42.059 0.040 0.000 0.900 105 L HN 0.795 nan 8.230 nan 0.000 0.436 106 E N -1.734 118.510 120.200 0.073 0.000 2.511 106 E HA -0.135 4.198 4.350 -0.029 0.000 0.196 106 E C 0.219 176.922 176.600 0.171 0.000 1.066 106 E CA 0.109 56.580 56.400 0.118 0.000 0.871 106 E CB -0.431 29.331 29.700 0.103 0.000 0.863 106 E HN 0.345 nan 8.360 nan 0.000 0.520 107 D N 1.288 121.742 120.400 0.089 0.000 2.455 107 D HA -0.040 4.582 4.640 -0.029 0.000 0.234 107 D C 0.443 176.759 176.300 0.026 0.000 1.224 107 D CA -0.490 53.516 54.000 0.011 0.000 0.999 107 D CB -0.135 40.642 40.800 -0.039 0.000 1.072 107 D HN 0.305 nan 8.370 nan 0.000 0.514 108 F N 2.024 121.983 119.950 0.014 0.000 2.407 108 F HA 0.098 4.607 4.527 -0.030 0.000 0.299 108 F C 1.585 177.396 175.800 0.020 0.000 1.097 108 F CA 0.110 58.121 58.000 0.019 0.000 1.422 108 F CB -0.572 38.438 39.000 0.017 0.000 1.067 108 F HN 0.186 nan 8.300 nan 0.000 0.539 109 I N 0.384 120.554 120.570 -0.667 0.000 2.233 109 I HA -0.183 3.969 4.170 -0.029 0.000 0.243 109 I C 2.485 178.495 176.117 -0.177 0.000 1.093 109 I CA 0.987 62.014 61.300 -0.454 0.000 1.380 109 I CB -0.494 37.167 38.000 -0.565 0.000 1.067 109 I HN 0.272 nan 8.210 nan 0.000 0.413 110 L N 1.100 122.231 121.223 -0.153 0.000 2.013 110 L HA -0.224 4.099 4.340 -0.029 0.000 0.212 110 L C 2.621 179.484 176.870 -0.012 0.000 1.073 110 L CA 1.917 56.713 54.840 -0.073 0.000 0.753 110 L CB -0.542 41.480 42.059 -0.063 0.000 0.890 110 L HN 0.060 nan 8.230 nan 0.000 0.432 111 R N -0.682 119.829 120.500 0.018 0.000 2.092 111 R HA -0.160 4.163 4.340 -0.029 0.000 0.231 111 R C 2.319 178.676 176.300 0.095 0.000 1.119 111 R CA 1.443 57.582 56.100 0.066 0.000 0.970 111 R CB -0.331 30.022 30.300 0.088 0.000 0.864 111 R HN 0.593 nan 8.270 nan 0.000 0.440 112 E N 1.146 121.405 120.200 0.099 0.000 2.051 112 E HA -0.239 4.093 4.350 -0.029 0.000 0.192 112 E C 1.929 178.606 176.600 0.128 0.000 0.991 112 E CA 1.262 57.737 56.400 0.125 0.000 0.799 112 E CB 0.106 29.882 29.700 0.127 0.000 0.748 112 E HN 0.134 nan 8.360 nan 0.000 0.449 113 K N 0.297 120.742 120.400 0.074 0.000 2.057 113 K HA -0.138 4.165 4.320 -0.029 0.000 0.207 113 K C 2.118 178.791 176.600 0.123 0.000 1.049 113 K CA 1.313 57.642 56.287 0.070 0.000 0.931 113 K CB -0.018 32.482 32.500 -0.000 0.000 0.714 113 K HN 0.165 nan 8.250 nan 0.000 0.440 114 I N 1.200 121.827 120.570 0.096 0.000 2.353 114 I HA -0.171 3.982 4.170 -0.029 0.000 0.248 114 I C 2.101 178.343 176.117 0.209 0.000 1.119 114 I CA 1.208 62.589 61.300 0.134 0.000 1.417 114 I CB -1.402 36.639 38.000 0.069 0.000 1.078 114 I HN 0.222 nan 8.210 nan 0.000 0.421 115 T N -0.119 114.550 114.554 0.192 0.000 2.684 115 T HA -0.238 4.095 4.350 -0.029 0.000 0.267 115 T C 1.972 176.848 174.700 0.293 0.000 1.036 115 T CA 1.564 63.810 62.100 0.243 0.000 1.148 115 T CB -0.457 68.541 68.868 0.218 0.000 0.863 115 T HN 0.341 nan 8.240 nan 0.000 0.436 116 H N -0.082 119.098 119.070 0.183 0.000 2.353 116 H HA -0.060 4.479 4.556 -0.028 0.000 0.300 116 H C 2.204 177.609 175.328 0.128 0.000 1.090 116 H CA 1.537 57.674 56.048 0.148 0.000 1.327 116 H CB -0.479 29.344 29.762 0.101 0.000 1.383 116 H HN 0.378 nan 8.280 nan 0.000 0.508 117 F N 2.144 122.180 119.950 0.143 0.000 2.095 117 F HA -0.220 4.292 4.527 -0.026 0.000 0.298 117 F C 2.009 177.778 175.800 -0.051 0.000 1.104 117 F CA 1.903 59.928 58.000 0.042 0.000 1.232 117 F CB -0.392 38.620 39.000 0.019 0.000 0.987 117 F HN 0.080 nan 8.300 nan 0.000 0.475 118 D N -1.192 119.169 120.400 -0.064 0.000 2.263 118 D HA -0.153 4.470 4.640 -0.029 0.000 0.208 118 D C 1.366 177.315 176.300 -0.585 0.000 0.971 118 D CA 1.246 55.038 54.000 -0.348 0.000 0.867 118 D CB -0.418 40.179 40.800 -0.339 0.000 0.929 118 D HN 0.514 nan 8.370 nan 0.000 0.492 119 H N -0.283 118.679 119.070 -0.181 0.000 2.486 119 H HA 0.214 4.752 4.556 -0.030 0.000 0.284 119 H C 1.024 176.194 175.328 -0.264 0.000 1.103 119 H CA -0.063 55.865 56.048 -0.199 0.000 1.089 119 H CB 0.526 30.184 29.762 -0.173 0.000 1.603 119 H HN 0.286 nan 8.280 nan 0.000 0.557 120 E N 0.746 120.794 120.200 -0.254 0.000 2.150 120 E HA -0.057 4.275 4.350 -0.029 0.000 0.193 120 E C 0.524 176.974 176.600 -0.251 0.000 0.985 120 E CA 0.591 56.811 56.400 -0.300 0.000 0.814 120 E CB 0.407 29.910 29.700 -0.328 0.000 0.752 120 E HN 0.163 nan 8.360 nan 0.000 0.466 121 R N 1.181 121.591 120.500 -0.148 0.000 2.410 121 R HA 0.365 4.687 4.340 -0.029 0.000 0.288 121 R C 0.416 176.756 176.300 0.066 0.000 1.051 121 R CA -0.294 55.790 56.100 -0.027 0.000 1.021 121 R CB 0.748 31.021 30.300 -0.045 0.000 1.032 121 R HN 0.158 nan 8.270 nan 0.000 0.481 122 I N -0.998 119.677 120.570 0.175 0.000 2.910 122 I HA 0.581 4.733 4.170 -0.029 0.000 0.310 122 I C -2.176 174.001 176.117 0.100 0.000 1.043 122 I CA -2.924 58.463 61.300 0.144 0.000 1.053 122 I CB 1.750 39.867 38.000 0.196 0.000 1.242 122 I HN 0.240 nan 8.210 nan 0.000 0.452 123 P HA 0.069 nan 4.420 nan 0.000 0.264 123 P C -0.782 176.547 177.300 0.049 0.000 1.193 123 P CA -0.012 63.114 63.100 0.043 0.000 0.763 123 P CB 0.393 32.108 31.700 0.025 0.000 0.810 124 E N 3.059 123.292 120.200 0.054 0.000 2.410 124 E HA 0.119 4.452 4.350 -0.029 0.000 0.255 124 E C -0.402 176.225 176.600 0.045 0.000 1.194 124 E CA -0.722 55.715 56.400 0.062 0.000 0.955 124 E CB 0.531 30.273 29.700 0.071 0.000 0.988 124 E HN 0.277 nan 8.360 nan 0.000 0.461 125 R N 0.482 121.015 120.500 0.054 0.000 2.640 125 R HA -0.019 4.303 4.340 -0.029 0.000 0.270 125 R C 1.142 177.476 176.300 0.057 0.000 1.024 125 R CA -0.113 56.015 56.100 0.048 0.000 1.085 125 R CB 0.162 30.509 30.300 0.078 0.000 0.963 125 R HN 0.615 nan 8.270 nan 0.000 0.426 126 I N 2.872 123.468 120.570 0.044 0.000 2.208 126 I HA -0.197 3.956 4.170 -0.029 0.000 0.245 126 I C 0.409 176.578 176.117 0.088 0.000 1.097 126 I CA 1.483 62.817 61.300 0.058 0.000 1.363 126 I CB 0.346 38.380 38.000 0.057 0.000 1.051 126 I HN 0.416 nan 8.210 nan 0.000 0.413 127 V N -3.585 116.417 119.914 0.145 0.000 3.040 127 V HA 0.467 4.570 4.120 -0.029 0.000 0.312 127 V C 0.126 176.400 176.094 0.299 0.000 1.115 127 V CA -0.778 61.641 62.300 0.198 0.000 0.998 127 V CB 1.471 33.491 31.823 0.328 0.000 1.042 127 V HN 0.400 nan 8.190 nan 0.000 0.433 128 H N 0.319 119.452 119.070 0.106 0.000 2.899 128 H HA -0.224 4.312 4.556 -0.033 0.000 0.282 128 H C 1.574 176.950 175.328 0.080 0.000 1.198 128 H CA 0.772 56.877 56.048 0.094 0.000 1.140 128 H CB -1.193 28.616 29.762 0.078 0.000 1.317 128 H HN 1.181 nan 8.280 nan 0.000 0.375 129 A N 0.792 123.707 122.820 0.158 0.000 1.978 129 A HA -0.129 4.174 4.320 -0.029 0.000 0.220 129 A C 1.709 179.386 177.584 0.154 0.000 1.170 129 A CA 1.459 53.576 52.037 0.134 0.000 0.636 129 A CB -0.106 18.951 19.000 0.095 0.000 0.810 129 A HN 0.273 nan 8.150 nan 0.000 0.448 130 R N 0.107 120.698 120.500 0.151 0.000 2.198 130 R HA 0.518 4.841 4.340 -0.029 0.000 0.339 130 R C -0.150 176.276 176.300 0.212 0.000 1.020 130 R CA 0.677 56.882 56.100 0.176 0.000 0.864 130 R CB 0.281 30.668 30.300 0.144 0.000 1.105 130 R HN 0.325 nan 8.270 nan 0.000 0.463 131 G N 0.841 109.793 108.800 0.253 0.000 2.677 131 G HA2 0.528 4.471 3.960 -0.029 0.000 0.291 131 G HA3 0.528 4.471 3.960 -0.029 0.000 0.291 131 G C -1.625 173.442 174.900 0.279 0.000 1.435 131 G CA -0.612 44.611 45.100 0.205 0.000 0.826 131 G HN 0.489 nan 8.290 nan 0.000 0.491 132 S N -1.074 114.741 115.700 0.191 0.000 2.547 132 S HA 0.889 5.342 4.470 -0.029 0.000 0.281 132 S C -0.223 174.395 174.600 0.031 0.000 1.118 132 S CA -0.200 58.166 58.200 0.276 0.000 0.947 132 S CB 1.789 65.275 63.200 0.478 0.000 1.053 132 S HN 1.618 nan 8.310 nan 0.000 0.482 133 A N 1.430 124.225 122.820 -0.042 0.000 2.515 133 A HA 1.028 5.330 4.320 -0.029 0.000 0.296 133 A C -0.973 176.408 177.584 -0.338 0.000 1.094 133 A CA -0.762 51.024 52.037 -0.419 0.000 0.718 133 A CB 1.635 20.199 19.000 -0.727 0.000 1.307 133 A HN 1.407 nan 8.150 nan 0.000 0.408 134 A N 0.681 123.146 122.820 -0.591 0.000 2.594 134 A HA 0.713 5.015 4.320 -0.029 0.000 0.295 134 A C -1.054 176.354 177.584 -0.293 0.000 1.071 134 A CA -0.648 51.222 52.037 -0.279 0.000 0.685 134 A CB 0.770 19.693 19.000 -0.128 0.000 1.285 134 A HN 0.880 nan 8.150 nan 0.000 0.405 135 H N -0.128 118.985 119.070 0.072 0.000 2.505 135 H HA 0.655 5.195 4.556 -0.028 0.000 0.351 135 H C 0.654 175.983 175.328 0.002 0.000 1.151 135 H CA 0.972 57.111 56.048 0.152 0.000 1.339 135 H CB 1.812 31.655 29.762 0.135 0.000 1.483 135 H HN 1.105 nan 8.280 nan 0.000 0.558 136 G N 0.700 109.602 108.800 0.169 0.000 2.578 136 G HA2 0.381 4.324 3.960 -0.029 0.000 0.302 136 G HA3 0.381 4.324 3.960 -0.029 0.000 0.302 136 G C -2.002 173.038 174.900 0.235 0.000 1.243 136 G CA -0.674 44.485 45.100 0.099 0.000 0.843 136 G HN 0.633 nan 8.290 nan 0.000 0.486 137 Y N -1.877 118.464 120.300 0.069 0.000 2.597 137 Y HA 0.824 5.357 4.550 -0.029 0.000 0.340 137 Y C -1.743 174.305 175.900 0.246 0.000 1.097 137 Y CA -1.872 56.317 58.100 0.149 0.000 1.037 137 Y CB 1.905 40.428 38.460 0.106 0.000 1.305 137 Y HN 0.745 nan 8.280 nan 0.000 0.463 138 F N 1.891 121.999 119.950 0.263 0.000 2.546 138 F HA 0.723 5.235 4.527 -0.026 0.000 0.320 138 F C -1.139 174.879 175.800 0.363 0.000 1.076 138 F CA -0.646 57.520 58.000 0.278 0.000 0.928 138 F CB 2.340 41.641 39.000 0.502 0.000 1.189 138 F HN 0.754 nan 8.300 nan 0.000 0.465 139 Q N 5.868 125.180 119.800 -0.814 0.000 2.315 139 Q HA 0.435 4.757 4.340 -0.029 0.000 0.273 139 Q C -2.707 172.701 176.000 -0.988 0.000 1.053 139 Q CA -2.399 53.049 55.803 -0.591 0.000 0.817 139 Q CB 3.145 31.828 28.738 -0.092 0.000 1.326 139 Q HN 0.334 nan 8.270 nan 0.000 0.423 140 P HA 0.036 nan 4.420 nan 0.000 0.276 140 P C -0.502 176.735 177.300 -0.104 0.000 1.244 140 P CA 0.176 63.070 63.100 -0.342 0.000 0.801 140 P CB 0.560 32.207 31.700 -0.088 0.000 1.006 141 Y N 0.356 120.602 120.300 -0.089 0.000 2.475 141 Y HA -0.004 4.529 4.550 -0.028 0.000 0.289 141 Y C 1.333 177.210 175.900 -0.038 0.000 1.121 141 Y CA 0.107 58.175 58.100 -0.053 0.000 1.257 141 Y CB 0.364 38.800 38.460 -0.040 0.000 1.026 141 Y HN 0.383 nan 8.280 nan 0.000 0.555 142 K N -1.251 119.218 120.400 0.115 0.000 2.642 142 K HA 0.284 4.587 4.320 -0.029 0.000 0.290 142 K C -1.105 175.505 176.600 0.017 0.000 1.006 142 K CA -0.869 55.451 56.287 0.056 0.000 0.869 142 K CB 1.210 33.742 32.500 0.053 0.000 1.499 142 K HN -0.247 nan 8.250 nan 0.000 0.403 143 S N 1.014 116.720 115.700 0.010 0.000 2.533 143 S HA 0.184 4.637 4.470 -0.029 0.000 0.282 143 S C 0.333 174.925 174.600 -0.013 0.000 1.304 143 S CA -0.637 57.559 58.200 -0.005 0.000 1.063 143 S CB -0.150 63.049 63.200 -0.001 0.000 0.881 143 S HN 0.544 nan 8.310 nan 0.000 0.493 144 L N 4.860 126.065 121.223 -0.031 0.000 2.872 144 L HA 0.144 4.467 4.340 -0.029 0.000 0.245 144 L C 2.024 178.878 176.870 -0.026 0.000 1.211 144 L CA -0.032 54.795 54.840 -0.022 0.000 1.013 144 L CB -0.167 41.882 42.059 -0.016 0.000 1.326 144 L HN 0.862 nan 8.230 nan 0.000 0.525 145 S N -1.968 113.715 115.700 -0.028 0.000 2.469 145 S HA -0.169 4.283 4.470 -0.029 0.000 0.238 145 S C 1.291 175.873 174.600 -0.029 0.000 0.998 145 S CA 0.952 59.133 58.200 -0.032 0.000 0.957 145 S CB -0.111 63.075 63.200 -0.023 0.000 0.764 145 S HN 0.370 nan 8.310 nan 0.000 0.514 146 D N 2.021 122.409 120.400 -0.021 0.000 2.219 146 D HA 0.003 4.626 4.640 -0.029 0.000 0.205 146 D C 1.766 178.048 176.300 -0.031 0.000 0.970 146 D CA 1.449 55.436 54.000 -0.021 0.000 0.851 146 D CB -0.160 40.633 40.800 -0.011 0.000 0.943 146 D HN 0.820 nan 8.370 nan 0.000 0.488 147 I N -4.534 116.018 120.570 -0.031 0.000 4.312 147 I HA 0.229 4.382 4.170 -0.029 0.000 0.324 147 I C 0.441 176.512 176.117 -0.078 0.000 1.298 147 I CA -0.030 61.242 61.300 -0.047 0.000 1.231 147 I CB 1.133 39.125 38.000 -0.013 0.000 1.152 147 I HN -0.250 nan 8.210 nan 0.000 0.421 148 T N 1.685 116.196 114.554 -0.071 0.000 3.041 148 T HA 0.301 4.634 4.350 -0.029 0.000 0.321 148 T C -0.059 174.586 174.700 -0.091 0.000 1.184 148 T CA -0.714 61.325 62.100 -0.101 0.000 1.050 148 T CB 1.708 70.504 68.868 -0.121 0.000 1.159 148 T HN 0.424 nan 8.240 nan 0.000 0.469 149 K N 2.665 123.011 120.400 -0.091 0.000 2.476 149 K HA 0.544 4.847 4.320 -0.029 0.000 0.196 149 K C 0.728 177.292 176.600 -0.061 0.000 1.025 149 K CA -0.305 55.942 56.287 -0.067 0.000 1.138 149 K CB 0.180 32.645 32.500 -0.058 0.000 0.860 149 K HN 0.494 nan 8.250 nan 0.000 0.515 150 A N 2.106 124.869 122.820 -0.096 0.000 2.522 150 A HA -0.050 4.253 4.320 -0.029 0.000 0.256 150 A C 0.551 178.106 177.584 -0.047 0.000 1.086 150 A CA 0.058 52.052 52.037 -0.071 0.000 0.763 150 A CB 0.103 19.008 19.000 -0.158 0.000 1.024 150 A HN 0.484 nan 8.150 nan 0.000 0.502 151 D N 2.107 122.551 120.400 0.073 0.000 2.144 151 D HA -0.219 4.404 4.640 -0.029 0.000 0.199 151 D C 1.325 177.710 176.300 0.141 0.000 0.984 151 D CA 2.140 56.198 54.000 0.096 0.000 0.834 151 D CB -0.234 40.641 40.800 0.125 0.000 0.955 151 D HN 0.733 nan 8.370 nan 0.000 0.465 152 F N -0.731 119.248 119.950 0.048 0.000 2.699 152 F HA 0.176 4.686 4.527 -0.028 0.000 0.298 152 F C 0.960 176.857 175.800 0.162 0.000 1.154 152 F CA 0.318 58.390 58.000 0.119 0.000 1.457 152 F CB -0.162 38.915 39.000 0.129 0.000 1.106 152 F HN -0.066 nan 8.300 nan 0.000 0.585 153 L N 0.785 121.720 121.223 -0.479 0.000 2.910 153 L HA 0.207 4.529 4.340 -0.029 0.000 0.252 153 L C 1.820 178.604 176.870 -0.144 0.000 1.195 153 L CA 0.296 54.909 54.840 -0.378 0.000 1.003 153 L CB -0.002 41.719 42.059 -0.563 0.000 1.328 153 L HN 0.306 nan 8.230 nan 0.000 0.540 154 S N -2.319 113.340 115.700 -0.068 0.000 2.524 154 S HA 0.055 4.508 4.470 -0.029 0.000 0.216 154 S C 0.334 174.934 174.600 -0.000 0.000 0.987 154 S CA -0.059 58.124 58.200 -0.027 0.000 0.909 154 S CB 0.139 63.337 63.200 -0.004 0.000 0.781 154 S HN 0.377 nan 8.310 nan 0.000 0.521 155 D N 0.381 120.791 120.400 0.016 0.000 2.937 155 D HA 0.341 4.964 4.640 -0.029 0.000 0.215 155 D C -2.645 173.675 176.300 0.034 0.000 1.274 155 D CA -1.697 52.319 54.000 0.028 0.000 0.869 155 D CB 1.942 42.765 40.800 0.039 0.000 1.675 155 D HN -0.187 nan 8.370 nan 0.000 0.538 156 P HA -0.018 nan 4.420 nan 0.000 0.223 156 P C 0.298 177.624 177.300 0.043 0.000 1.151 156 P CA 0.856 63.977 63.100 0.035 0.000 0.787 156 P CB 0.148 31.878 31.700 0.049 0.000 0.788 157 N N -0.694 118.033 118.700 0.045 0.000 2.461 157 N HA -0.008 4.714 4.740 -0.029 0.000 0.188 157 N C 0.620 176.169 175.510 0.065 0.000 1.134 157 N CA -0.031 53.048 53.050 0.049 0.000 0.878 157 N CB -0.162 38.348 38.487 0.038 0.000 0.972 157 N HN 0.100 nan 8.380 nan 0.000 0.456 158 K N 1.798 122.248 120.400 0.083 0.000 2.310 158 K HA 0.247 4.550 4.320 -0.029 0.000 0.290 158 K C -0.832 175.870 176.600 0.169 0.000 1.077 158 K CA -0.092 56.270 56.287 0.125 0.000 0.922 158 K CB 0.382 32.971 32.500 0.147 0.000 1.057 158 K HN 0.037 nan 8.250 nan 0.000 0.479 159 I N 3.464 124.135 120.570 0.168 0.000 2.331 159 I HA 0.143 4.295 4.170 -0.029 0.000 0.292 159 I C -0.077 176.217 176.117 0.295 0.000 0.998 159 I CA -0.395 61.038 61.300 0.222 0.000 1.267 159 I CB 1.893 39.969 38.000 0.126 0.000 1.386 159 I HN 0.485 nan 8.210 nan 0.000 0.476 160 T N 7.448 122.266 114.554 0.439 0.000 2.770 160 T HA 0.351 4.684 4.350 -0.029 0.000 0.283 160 T C -2.458 172.506 174.700 0.439 0.000 0.988 160 T CA -1.386 60.994 62.100 0.466 0.000 0.957 160 T CB 1.420 70.682 68.868 0.657 0.000 0.930 160 T HN 0.234 nan 8.240 nan 0.000 0.443 161 P HA 0.243 nan 4.420 nan 0.000 0.269 161 P C -0.696 176.843 177.300 0.400 0.000 1.209 161 P CA -0.421 62.874 63.100 0.325 0.000 0.776 161 P CB 0.526 32.338 31.700 0.186 0.000 0.876 162 V N 0.077 120.168 119.914 0.294 0.000 2.962 162 V HA 0.719 4.822 4.120 -0.029 0.000 0.313 162 V C -1.316 174.938 176.094 0.266 0.000 1.099 162 V CA -0.945 61.431 62.300 0.126 0.000 0.971 162 V CB 2.172 33.847 31.823 -0.247 0.000 1.028 162 V HN 0.298 nan 8.190 nan 0.000 0.430 163 F N 2.692 122.633 119.950 -0.015 0.000 2.518 163 F HA 0.847 5.355 4.527 -0.033 0.000 0.323 163 F C -0.734 174.973 175.800 -0.154 0.000 1.129 163 F CA -0.864 57.060 58.000 -0.127 0.000 0.920 163 F CB 1.975 40.913 39.000 -0.104 0.000 1.160 163 F HN 0.526 nan 8.300 nan 0.000 0.440 164 V N 6.685 126.145 119.914 -0.758 0.000 2.540 164 V HA 0.569 4.672 4.120 -0.029 0.000 0.302 164 V C -0.675 174.742 176.094 -1.127 0.000 1.035 164 V CA -0.850 60.925 62.300 -0.874 0.000 0.873 164 V CB 1.940 33.175 31.823 -0.979 0.000 0.992 164 V HN 0.737 nan 8.190 nan 0.000 0.428 165 R N 3.674 123.489 120.500 -1.143 0.000 2.480 165 R HA 0.629 4.951 4.340 -0.029 0.000 0.306 165 R C -1.690 173.954 176.300 -1.093 0.000 0.958 165 R CA -0.442 55.081 56.100 -0.961 0.000 0.861 165 R CB 1.237 31.178 30.300 -0.597 0.000 1.171 165 R HN 0.542 nan 8.270 nan 0.000 0.445 166 F N 1.902 121.429 119.950 -0.705 0.000 2.425 166 F HA 0.517 5.028 4.527 -0.028 0.000 0.331 166 F C 0.455 175.923 175.800 -0.553 0.000 1.085 166 F CA -0.251 57.225 58.000 -0.873 0.000 1.028 166 F CB 2.155 40.078 39.000 -1.795 0.000 1.177 166 F HN 0.604 nan 8.300 nan 0.000 0.487 167 S N -1.021 114.619 115.700 -0.099 0.000 2.625 167 S HA 0.652 5.104 4.470 -0.029 0.000 0.271 167 S C -0.558 174.176 174.600 0.224 0.000 1.161 167 S CA -0.885 57.390 58.200 0.126 0.000 0.820 167 S CB 1.365 64.684 63.200 0.199 0.000 1.137 167 S HN 0.722 nan 8.310 nan 0.000 0.470 168 T N -1.467 113.213 114.554 0.210 0.000 2.865 168 T HA 0.655 4.988 4.350 -0.029 0.000 0.302 168 T C 0.830 175.482 174.700 -0.080 0.000 1.078 168 T CA -0.155 62.022 62.100 0.128 0.000 0.942 168 T CB 0.290 69.242 68.868 0.141 0.000 1.387 168 T HN 0.565 nan 8.240 nan 0.000 0.557 169 V N 0.482 120.314 119.914 -0.136 0.000 2.854 169 V HA 0.063 4.166 4.120 -0.029 0.000 0.236 169 V C 2.670 178.681 176.094 -0.137 0.000 1.157 169 V CA 0.607 62.701 62.300 -0.342 0.000 1.187 169 V CB -0.499 31.229 31.823 -0.158 0.000 0.949 169 V HN 0.824 nan 8.190 nan 0.000 0.488 170 Q N 0.873 120.629 119.800 -0.073 0.000 2.061 170 Q HA 0.194 4.517 4.340 -0.029 0.000 0.195 170 Q C 1.414 177.390 176.000 -0.039 0.000 0.967 170 Q CA 0.994 56.756 55.803 -0.068 0.000 0.829 170 Q CB -0.329 28.354 28.738 -0.092 0.000 0.900 170 Q HN 0.600 nan 8.270 nan 0.000 0.450 171 G N 0.422 109.212 108.800 -0.017 0.000 2.606 171 G HA2 0.381 4.323 3.960 -0.029 0.000 0.252 171 G HA3 0.381 4.323 3.960 -0.029 0.000 0.252 171 G C 0.166 175.074 174.900 0.012 0.000 1.206 171 G CA -0.099 44.996 45.100 -0.007 0.000 0.861 171 G HN 0.222 nan 8.290 nan 0.000 0.561 172 G N -1.030 107.773 108.800 0.006 0.000 2.716 172 G HA2 0.458 4.400 3.960 -0.029 0.000 0.251 172 G HA3 0.458 4.400 3.960 -0.029 0.000 0.251 172 G C 1.339 176.268 174.900 0.048 0.000 1.224 172 G CA 0.433 45.546 45.100 0.022 0.000 0.891 172 G HN 1.122 nan 8.290 nan 0.000 0.561 173 A N -0.442 122.418 122.820 0.066 0.000 2.070 173 A HA 0.131 4.433 4.320 -0.029 0.000 0.220 173 A C 2.256 179.878 177.584 0.063 0.000 1.159 173 A CA 1.932 54.027 52.037 0.097 0.000 0.656 173 A CB -0.302 18.775 19.000 0.127 0.000 0.800 173 A HN 1.099 nan 8.150 nan 0.000 0.453 174 G N -0.314 108.504 108.800 0.031 0.000 3.189 174 G HA2 0.308 4.250 3.960 -0.029 0.000 0.225 174 G HA3 0.308 4.250 3.960 -0.029 0.000 0.225 174 G C 0.794 175.694 174.900 0.001 0.000 1.159 174 G CA 0.686 45.788 45.100 0.004 0.000 0.763 174 G HN 0.663 nan 8.290 nan 0.000 0.549 175 S N -0.129 115.579 115.700 0.014 0.000 2.652 175 S HA 0.734 5.187 4.470 -0.029 0.000 0.267 175 S C 0.386 174.999 174.600 0.021 0.000 1.201 175 S CA -0.044 58.162 58.200 0.009 0.000 0.996 175 S CB 1.509 64.715 63.200 0.010 0.000 1.054 175 S HN 0.555 nan 8.310 nan 0.000 0.561 176 A N 0.059 122.888 122.820 0.015 0.000 2.293 176 A HA 0.483 4.785 4.320 -0.029 0.000 0.302 176 A C 0.570 178.175 177.584 0.035 0.000 1.119 176 A CA -0.665 51.378 52.037 0.010 0.000 0.823 176 A CB 0.081 19.069 19.000 -0.019 0.000 1.097 176 A HN 0.842 nan 8.150 nan 0.000 0.491 177 D N 0.701 121.115 120.400 0.022 0.000 2.103 177 D HA -0.085 4.538 4.640 -0.029 0.000 0.199 177 D C 1.606 177.883 176.300 -0.038 0.000 0.978 177 D CA 2.344 56.365 54.000 0.036 0.000 0.829 177 D CB -0.281 40.505 40.800 -0.024 0.000 0.981 177 D HN 0.678 nan 8.370 nan 0.000 0.464 178 T N -0.117 114.338 114.554 -0.165 0.000 3.332 178 T HA 0.291 4.624 4.350 -0.029 0.000 0.246 178 T C 0.853 175.542 174.700 -0.018 0.000 0.943 178 T CA -0.578 61.423 62.100 -0.165 0.000 0.922 178 T CB -0.976 67.720 68.868 -0.287 0.000 1.086 178 T HN -0.055 nan 8.240 nan 0.000 0.590 179 V N -1.186 118.765 119.914 0.061 0.000 3.376 179 V HA 0.378 4.480 4.120 -0.029 0.000 0.303 179 V C 0.738 176.967 176.094 0.225 0.000 1.100 179 V CA -1.312 61.073 62.300 0.141 0.000 1.126 179 V CB 0.321 32.213 31.823 0.115 0.000 1.085 179 V HN 0.591 nan 8.190 nan 0.000 0.480 180 R N 2.529 123.209 120.500 0.300 0.000 2.216 180 R HA 0.448 4.770 4.340 -0.029 0.000 0.332 180 R C -0.469 175.906 176.300 0.124 0.000 1.056 180 R CA -0.080 56.150 56.100 0.218 0.000 0.901 180 R CB -0.102 30.260 30.300 0.104 0.000 1.039 180 R HN 1.049 nan 8.270 nan 0.000 0.456 181 N N 3.957 122.745 118.700 0.147 0.000 2.859 181 N HA 0.189 4.912 4.740 -0.029 0.000 0.250 181 N C -0.904 174.720 175.510 0.190 0.000 1.341 181 N CA -0.804 52.326 53.050 0.134 0.000 0.881 181 N CB 1.263 39.826 38.487 0.126 0.000 1.516 181 N HN 0.286 nan 8.380 nan 0.000 0.503 182 I N 1.710 122.412 120.570 0.221 0.000 2.938 182 I HA 0.125 4.277 4.170 -0.029 0.000 0.285 182 I C 0.718 176.975 176.117 0.235 0.000 1.182 182 I CA 0.387 61.828 61.300 0.235 0.000 1.388 182 I CB 0.014 38.182 38.000 0.281 0.000 1.390 182 I HN 0.346 nan 8.210 nan 0.000 0.600 183 R N 2.620 123.278 120.500 0.264 0.000 2.664 183 R HA 0.553 4.875 4.340 -0.029 0.000 0.286 183 R C -0.069 176.419 176.300 0.312 0.000 0.967 183 R CA -0.782 55.487 56.100 0.281 0.000 0.933 183 R CB 1.329 31.811 30.300 0.303 0.000 1.146 183 R HN 0.792 nan 8.270 nan 0.000 0.468 184 G N 1.005 110.002 108.800 0.330 0.000 2.395 184 G HA2 0.448 4.390 3.960 -0.029 0.000 0.283 184 G HA3 0.448 4.390 3.960 -0.029 0.000 0.283 184 G C -1.258 173.714 174.900 0.119 0.000 1.178 184 G CA -0.060 45.212 45.100 0.287 0.000 0.837 184 G HN 0.350 nan 8.290 nan 0.000 0.518 185 F N 2.349 122.201 119.950 -0.162 0.000 2.902 185 F HA 0.644 5.152 4.527 -0.032 0.000 0.368 185 F C -0.192 175.304 175.800 -0.507 0.000 1.202 185 F CA -1.860 55.934 58.000 -0.342 0.000 1.109 185 F CB 1.161 40.084 39.000 -0.127 0.000 1.418 185 F HN 0.654 nan 8.300 nan 0.000 0.527 186 A N 3.545 126.085 122.820 -0.467 0.000 2.303 186 A HA 0.770 5.073 4.320 -0.029 0.000 0.320 186 A C -0.611 176.505 177.584 -0.779 0.000 1.192 186 A CA -0.446 51.143 52.037 -0.747 0.000 0.821 186 A CB 0.809 18.971 19.000 -1.397 0.000 1.188 186 A HN 0.545 nan 8.150 nan 0.000 0.492 187 T N 2.315 116.584 114.554 -0.476 0.000 2.812 187 T HA 0.383 4.715 4.350 -0.029 0.000 0.282 187 T C -0.304 174.205 174.700 -0.318 0.000 0.990 187 T CA -0.444 61.386 62.100 -0.449 0.000 0.960 187 T CB 1.047 69.591 68.868 -0.541 0.000 0.948 187 T HN 0.622 nan 8.240 nan 0.000 0.438 188 K N 3.549 123.852 120.400 -0.162 0.000 2.264 188 K HA 0.423 4.725 4.320 -0.029 0.000 0.277 188 K C -1.205 175.069 176.600 -0.543 0.000 1.067 188 K CA -0.572 55.520 56.287 -0.325 0.000 0.900 188 K CB 0.262 32.502 32.500 -0.434 0.000 1.124 188 K HN 0.388 nan 8.250 nan 0.000 0.469 189 F N 4.234 123.895 119.950 -0.482 0.000 2.411 189 F HA 0.219 4.727 4.527 -0.032 0.000 0.355 189 F C -0.320 175.281 175.800 -0.332 0.000 1.117 189 F CA -0.514 57.270 58.000 -0.359 0.000 1.139 189 F CB 0.618 39.313 39.000 -0.508 0.000 1.120 189 F HN 0.431 nan 8.300 nan 0.000 0.493 190 Y N 1.894 122.252 120.300 0.097 0.000 2.636 190 Y HA 0.236 4.769 4.550 -0.027 0.000 0.341 190 Y C 1.015 176.974 175.900 0.098 0.000 1.169 190 Y CA -0.853 57.288 58.100 0.068 0.000 1.498 190 Y CB -0.194 38.295 38.460 0.050 0.000 1.362 190 Y HN 0.561 nan 8.280 nan 0.000 0.494 191 T N -2.396 112.259 114.554 0.168 0.000 2.881 191 T HA 0.204 4.536 4.350 -0.029 0.000 0.278 191 T C 0.909 175.707 174.700 0.163 0.000 0.982 191 T CA -0.761 61.442 62.100 0.173 0.000 0.989 191 T CB 1.138 70.080 68.868 0.123 0.000 1.058 191 T HN 0.632 nan 8.240 nan 0.000 0.529 192 E N -0.130 120.171 120.200 0.167 0.000 2.482 192 E HA -0.006 4.327 4.350 -0.029 0.000 0.196 192 E C 0.799 177.469 176.600 0.117 0.000 1.047 192 E CA 0.536 57.016 56.400 0.133 0.000 0.869 192 E CB 0.131 29.905 29.700 0.125 0.000 0.836 192 E HN 0.708 nan 8.360 nan 0.000 0.520 193 E N 0.093 120.365 120.200 0.120 0.000 2.887 193 E HA 0.270 4.602 4.350 -0.029 0.000 0.206 193 E C -0.015 176.638 176.600 0.088 0.000 0.983 193 E CA -0.302 56.161 56.400 0.104 0.000 1.141 193 E CB 1.433 31.197 29.700 0.108 0.000 1.061 193 E HN 0.172 nan 8.360 nan 0.000 0.468 194 G N 1.143 109.989 108.800 0.077 0.000 2.375 194 G HA2 -0.086 3.857 3.960 -0.029 0.000 0.663 194 G HA3 -0.086 3.857 3.960 -0.029 0.000 0.663 194 G C -0.829 174.084 174.900 0.022 0.000 1.391 194 G CA -1.119 44.004 45.100 0.037 0.000 0.949 194 G HN 0.086 nan 8.290 nan 0.000 0.646 195 I N 0.829 121.377 120.570 -0.037 0.000 2.556 195 I HA 0.355 4.507 4.170 -0.029 0.000 0.284 195 I C 0.061 176.189 176.117 0.018 0.000 1.114 195 I CA -0.074 61.178 61.300 -0.080 0.000 1.418 195 I CB 0.770 38.651 38.000 -0.198 0.000 1.394 195 I HN 0.457 nan 8.210 nan 0.000 0.552 196 F N 7.003 126.852 119.950 -0.168 0.000 2.427 196 F HA 0.423 4.932 4.527 -0.031 0.000 0.348 196 F C -0.685 175.083 175.800 -0.053 0.000 1.125 196 F CA -1.222 56.680 58.000 -0.163 0.000 0.989 196 F CB 0.704 39.462 39.000 -0.402 0.000 1.165 196 F HN 0.316 nan 8.300 nan 0.000 0.442 197 D N 6.556 126.793 120.400 -0.270 0.000 2.274 197 D HA 0.250 4.873 4.640 -0.029 0.000 0.239 197 D C -0.951 174.918 176.300 -0.718 0.000 1.104 197 D CA -0.074 53.692 54.000 -0.391 0.000 0.840 197 D CB 2.064 42.822 40.800 -0.069 0.000 1.100 197 D HN 0.509 nan 8.370 nan 0.000 0.477 198 L N 4.044 124.789 121.223 -0.797 0.000 2.283 198 L HA 0.281 4.604 4.340 -0.029 0.000 0.281 198 L C -1.121 175.525 176.870 -0.374 0.000 1.033 198 L CA -0.646 53.796 54.840 -0.663 0.000 0.848 198 L CB 1.155 42.815 42.059 -0.665 0.000 1.226 198 L HN 0.068 nan 8.230 nan 0.000 0.429 199 V N 5.945 125.677 119.914 -0.304 0.000 2.277 199 V HA 0.745 4.847 4.120 -0.029 0.000 0.269 199 V C 0.786 176.769 176.094 -0.185 0.000 1.036 199 V CA -0.034 62.093 62.300 -0.288 0.000 0.821 199 V CB 0.339 31.946 31.823 -0.360 0.000 1.052 199 V HN 0.862 nan 8.190 nan 0.000 0.462 200 G N 3.458 112.166 108.800 -0.153 0.000 2.788 200 G HA2 0.667 4.610 3.960 -0.029 0.000 0.293 200 G HA3 0.667 4.610 3.960 -0.029 0.000 0.293 200 G C -0.916 173.995 174.900 0.020 0.000 1.305 200 G CA -0.602 44.459 45.100 -0.065 0.000 1.005 200 G HN 0.478 nan 8.290 nan 0.000 0.496 201 N N -1.048 117.709 118.700 0.096 0.000 2.966 201 N HA 0.249 4.972 4.740 -0.029 0.000 0.314 201 N C 0.428 176.109 175.510 0.286 0.000 1.397 201 N CA -0.731 52.441 53.050 0.205 0.000 0.776 201 N CB 1.241 39.847 38.487 0.199 0.000 1.576 201 N HN 0.531 nan 8.380 nan 0.000 0.592 202 N N -1.271 117.621 118.700 0.319 0.000 2.314 202 N HA -0.002 4.721 4.740 -0.029 0.000 0.200 202 N C -0.496 175.289 175.510 0.459 0.000 1.135 202 N CA -0.068 53.224 53.050 0.402 0.000 0.835 202 N CB -0.176 38.529 38.487 0.363 0.000 0.989 202 N HN 0.536 nan 8.380 nan 0.000 0.478 203 T N -3.624 111.029 114.554 0.165 0.000 2.906 203 T HA 0.453 4.786 4.350 -0.029 0.000 0.295 203 T C -2.658 171.420 174.700 -1.036 0.000 1.061 203 T CA -1.606 60.169 62.100 -0.542 0.000 1.000 203 T CB 2.994 71.452 68.868 -0.683 0.000 1.103 203 T HN -0.231 nan 8.240 nan 0.000 0.486 204 P HA 0.214 nan 4.420 nan 0.000 0.249 204 P C 0.300 177.054 177.300 -0.911 0.000 1.229 204 P CA 0.011 62.156 63.100 -1.592 0.000 0.788 204 P CB -0.074 30.622 31.700 -1.673 0.000 1.072 205 I N -4.540 115.484 120.570 -0.909 0.000 3.264 205 I HA 0.535 4.687 4.170 -0.029 0.000 0.315 205 I C -1.371 174.474 176.117 -0.453 0.000 1.154 205 I CA -1.913 59.014 61.300 -0.621 0.000 0.962 205 I CB 1.481 39.077 38.000 -0.673 0.000 1.265 205 I HN -0.253 nan 8.210 nan 0.000 0.463 206 F N 0.591 120.251 119.950 -0.482 0.000 2.572 206 F HA 0.494 5.007 4.527 -0.023 0.000 0.342 206 F C 0.608 176.148 175.800 -0.434 0.000 1.064 206 F CA -0.702 57.040 58.000 -0.429 0.000 1.008 206 F CB 1.732 40.603 39.000 -0.215 0.000 1.303 206 F HN 0.409 nan 8.300 nan 0.000 0.492 207 F N 1.839 121.070 119.950 -1.198 0.000 2.234 207 F HA -0.005 4.503 4.527 -0.033 0.000 0.299 207 F C 0.654 176.178 175.800 -0.459 0.000 1.087 207 F CA 0.905 58.349 58.000 -0.927 0.000 1.340 207 F CB -0.135 37.845 39.000 -1.700 0.000 1.031 207 F HN 0.122 nan 8.300 nan 0.000 0.500 208 I N -3.430 117.120 120.570 -0.033 0.000 2.892 208 I HA 0.353 4.506 4.170 -0.029 0.000 0.306 208 I C 0.322 176.580 176.117 0.235 0.000 1.078 208 I CA -0.857 60.532 61.300 0.149 0.000 1.032 208 I CB 1.868 40.008 38.000 0.232 0.000 1.229 208 I HN -0.153 nan 8.210 nan 0.000 0.435 209 Q N 0.429 120.370 119.800 0.235 0.000 2.259 209 Q HA 0.133 4.455 4.340 -0.029 0.000 0.201 209 Q C -0.275 175.893 176.000 0.281 0.000 0.938 209 Q CA 0.708 56.694 55.803 0.306 0.000 0.872 209 Q CB 0.400 29.402 28.738 0.440 0.000 0.971 209 Q HN 0.660 nan 8.270 nan 0.000 0.494 210 D N -1.098 119.437 120.400 0.225 0.000 2.649 210 D HA 0.318 4.941 4.640 -0.029 0.000 0.249 210 D C -0.018 176.398 176.300 0.194 0.000 1.112 210 D CA -0.253 53.847 54.000 0.167 0.000 0.850 210 D CB 1.828 42.700 40.800 0.120 0.000 1.399 210 D HN 0.028 nan 8.370 nan 0.000 0.503 211 A N 3.365 126.269 122.820 0.140 0.000 2.024 211 A HA -0.244 4.059 4.320 -0.029 0.000 0.220 211 A C 1.800 179.499 177.584 0.191 0.000 1.164 211 A CA 1.764 53.879 52.037 0.129 0.000 0.643 211 A CB -0.798 18.225 19.000 0.039 0.000 0.806 211 A HN 0.822 nan 8.150 nan 0.000 0.451 212 H N 0.092 119.220 119.070 0.097 0.000 2.426 212 H HA -0.069 4.473 4.556 -0.023 0.000 0.298 212 H C 1.412 176.821 175.328 0.134 0.000 1.107 212 H CA 1.865 57.966 56.048 0.089 0.000 1.298 212 H CB 0.178 29.969 29.762 0.047 0.000 1.377 212 H HN 0.249 nan 8.280 nan 0.000 0.519 213 K N -0.262 120.273 120.400 0.225 0.000 2.487 213 K HA -0.060 4.243 4.320 -0.029 0.000 0.192 213 K C 1.687 178.431 176.600 0.240 0.000 1.027 213 K CA 0.161 56.582 56.287 0.224 0.000 1.054 213 K CB -0.372 32.315 32.500 0.312 0.000 0.824 213 K HN 0.360 nan 8.250 nan 0.000 0.510 214 F N 2.893 122.896 119.950 0.087 0.000 2.095 214 F HA -0.134 4.359 4.527 -0.057 0.000 0.298 214 F C -0.882 174.931 175.800 0.022 0.000 1.104 214 F CA 1.268 59.344 58.000 0.127 0.000 1.232 214 F CB -0.543 38.520 39.000 0.106 0.000 0.987 214 F HN 0.049 nan 8.300 nan 0.000 0.475 215 P HA -0.152 nan 4.420 nan 0.000 0.218 215 P C 0.969 177.959 177.300 -0.516 0.000 1.148 215 P CA 1.755 64.620 63.100 -0.391 0.000 0.822 215 P CB -0.093 31.404 31.700 -0.337 0.000 0.784 216 D N -1.204 119.047 120.400 -0.248 0.000 2.084 216 D HA -0.165 4.458 4.640 -0.029 0.000 0.194 216 D C 1.825 177.853 176.300 -0.453 0.000 0.990 216 D CA 1.074 54.970 54.000 -0.173 0.000 0.826 216 D CB -0.890 39.989 40.800 0.133 0.000 0.971 216 D HN 0.153 nan 8.370 nan 0.000 0.453 217 F N 1.803 121.339 119.950 -0.690 0.000 2.095 217 F HA -0.230 4.273 4.527 -0.039 0.000 0.298 217 F C 2.284 177.701 175.800 -0.638 0.000 1.104 217 F CA 1.208 58.617 58.000 -0.987 0.000 1.232 217 F CB -0.196 38.458 39.000 -0.576 0.000 0.987 217 F HN -0.245 nan 8.300 nan 0.000 0.475 218 V N 0.205 119.744 119.914 -0.624 0.000 2.358 218 V HA -0.312 3.791 4.120 -0.029 0.000 0.246 218 V C 2.255 178.147 176.094 -0.337 0.000 1.047 218 V CA 2.368 64.329 62.300 -0.566 0.000 1.035 218 V CB -1.024 30.456 31.823 -0.573 0.000 0.658 218 V HN 0.462 nan 8.190 nan 0.000 0.452 219 H N -0.073 118.787 119.070 -0.349 0.000 2.387 219 H HA -0.173 4.368 4.556 -0.026 0.000 0.299 219 H C 2.335 177.522 175.328 -0.235 0.000 1.099 219 H CA 1.095 57.007 56.048 -0.228 0.000 1.315 219 H CB -0.013 29.667 29.762 -0.137 0.000 1.380 219 H HN 0.490 nan 8.280 nan 0.000 0.513 220 A N 0.491 123.156 122.820 -0.259 0.000 1.902 220 A HA -0.134 4.169 4.320 -0.029 0.000 0.217 220 A C 2.547 179.996 177.584 -0.226 0.000 1.181 220 A CA 1.560 53.436 52.037 -0.269 0.000 0.623 220 A CB -0.820 17.878 19.000 -0.504 0.000 0.818 220 A HN 0.306 nan 8.150 nan 0.000 0.443 221 V N -0.101 119.547 119.914 -0.444 0.000 2.591 221 V HA -0.023 4.080 4.120 -0.029 0.000 0.249 221 V C 0.960 177.008 176.094 -0.078 0.000 1.053 221 V CA 0.933 63.011 62.300 -0.370 0.000 1.068 221 V CB -0.476 30.896 31.823 -0.751 0.000 0.689 221 V HN 0.358 nan 8.190 nan 0.000 0.462 222 K N 0.900 121.233 120.400 -0.112 0.000 2.187 222 K HA 0.211 4.514 4.320 -0.029 0.000 0.247 222 K C -2.280 174.275 176.600 -0.074 0.000 1.019 222 K CA -1.582 54.655 56.287 -0.083 0.000 0.893 222 K CB -0.275 32.172 32.500 -0.087 0.000 1.025 222 K HN 0.168 nan 8.250 nan 0.000 0.500 223 P HA -0.038 nan 4.420 nan 0.000 0.265 223 P C -0.554 176.680 177.300 -0.110 0.000 1.187 223 P CA 0.471 63.432 63.100 -0.230 0.000 0.766 223 P CB 0.356 31.934 31.700 -0.203 0.000 0.820 224 E N 5.143 125.318 120.200 -0.042 0.000 2.392 224 E HA 0.003 4.336 4.350 -0.029 0.000 0.264 224 E C -1.258 175.420 176.600 0.131 0.000 1.024 224 E CA -1.309 55.180 56.400 0.149 0.000 0.903 224 E CB 0.187 30.104 29.700 0.361 0.000 0.963 224 E HN 0.423 nan 8.360 nan 0.000 0.432 225 P HA -0.185 nan 4.420 nan 0.000 0.225 225 P C 0.935 178.309 177.300 0.122 0.000 1.156 225 P CA 1.261 64.402 63.100 0.069 0.000 0.787 225 P CB 0.065 31.777 31.700 0.020 0.000 0.802 226 H N -0.563 118.543 119.070 0.060 0.000 2.326 226 H HA -0.097 4.441 4.556 -0.030 0.000 0.301 226 H C 1.446 176.875 175.328 0.169 0.000 1.081 226 H CA 1.553 57.626 56.048 0.042 0.000 1.334 226 H CB -1.422 28.294 29.762 -0.077 0.000 1.385 226 H HN 0.328 nan 8.280 nan 0.000 0.504 227 W N -0.130 120.837 121.300 -0.555 0.000 2.714 227 W HA 0.699 5.340 4.660 -0.032 0.000 0.353 227 W C 0.426 176.777 176.519 -0.279 0.000 0.999 227 W CA -1.138 55.977 57.345 -0.383 0.000 1.629 227 W CB -0.695 28.501 29.460 -0.440 0.000 1.106 227 W HN 0.428 nan 8.180 nan 0.000 0.545 228 A N 1.471 124.256 122.820 -0.059 0.000 2.519 228 A HA -0.134 4.169 4.320 -0.029 0.000 0.297 228 A C -0.396 176.945 177.584 -0.405 0.000 1.472 228 A CA 1.529 53.454 52.037 -0.185 0.000 0.739 228 A CB -2.372 16.549 19.000 -0.131 0.000 1.096 228 A HN 0.476 nan 8.150 nan 0.000 0.414 229 I N 0.442 120.622 120.570 -0.651 0.000 2.769 229 I HA 0.551 4.704 4.170 -0.029 0.000 0.298 229 I C -2.462 173.349 176.117 -0.511 0.000 1.128 229 I CA -2.501 58.345 61.300 -0.757 0.000 1.031 229 I CB 2.940 40.022 38.000 -1.529 0.000 1.235 229 I HN 0.201 nan 8.210 nan 0.000 0.423 230 P HA 0.272 nan 4.420 nan 0.000 0.290 230 P C -1.508 175.635 177.300 -0.262 0.000 1.283 230 P CA -0.809 62.081 63.100 -0.350 0.000 0.869 230 P CB 1.338 32.917 31.700 -0.203 0.000 1.100 231 Q N 1.026 120.712 119.800 -0.190 0.000 2.296 231 Q HA 0.441 4.764 4.340 -0.029 0.000 0.262 231 Q C 1.138 177.101 176.000 -0.063 0.000 0.981 231 Q CA 1.173 56.902 55.803 -0.122 0.000 0.905 231 Q CB -0.625 28.050 28.738 -0.105 0.000 1.186 231 Q HN 0.823 nan 8.270 nan 0.000 0.399 232 G N 3.428 112.198 108.800 -0.050 0.000 2.198 232 G HA2 -0.299 3.643 3.960 -0.029 0.000 0.260 232 G HA3 -0.299 3.643 3.960 -0.029 0.000 0.260 232 G C -0.369 174.540 174.900 0.015 0.000 1.025 232 G CA 0.515 45.608 45.100 -0.012 0.000 0.769 232 G HN 0.560 nan 8.290 nan 0.000 0.507 233 Q N -0.947 118.856 119.800 0.006 0.000 2.331 233 Q HA 0.549 4.872 4.340 -0.029 0.000 0.272 233 Q C 0.862 176.883 176.000 0.037 0.000 1.062 233 Q CA -0.097 55.742 55.803 0.060 0.000 0.806 233 Q CB 1.774 30.593 28.738 0.135 0.000 1.312 233 Q HN 0.438 nan 8.270 nan 0.000 0.431 234 S N -0.322 115.288 115.700 -0.149 0.000 2.593 234 S HA 0.147 4.600 4.470 -0.029 0.000 0.217 234 S C 0.984 175.515 174.600 -0.115 0.000 0.966 234 S CA 0.048 57.930 58.200 -0.531 0.000 0.914 234 S CB 0.283 62.631 63.200 -1.420 0.000 0.776 234 S HN 0.595 nan 8.310 nan 0.000 0.523 235 A N 2.272 125.230 122.820 0.229 0.000 3.051 235 A HA 0.469 4.772 4.320 -0.029 0.000 0.257 235 A C 0.196 178.020 177.584 0.399 0.000 1.785 235 A CA -0.487 51.772 52.037 0.370 0.000 1.420 235 A CB -1.353 17.832 19.000 0.308 0.000 1.063 235 A HN 0.910 nan 8.150 nan 0.000 0.630 236 H N -4.115 115.151 119.070 0.327 0.000 2.990 236 H HA 0.528 5.065 4.556 -0.031 0.000 0.336 236 H C -0.185 175.336 175.328 0.321 0.000 1.306 236 H CA -0.708 55.497 56.048 0.262 0.000 1.118 236 H CB 0.257 30.133 29.762 0.190 0.000 1.856 236 H HN 0.041 nan 8.280 nan 0.000 0.538 237 D N 0.129 120.709 120.400 0.299 0.000 2.104 237 D HA -0.196 4.427 4.640 -0.029 0.000 0.194 237 D C 2.111 178.482 176.300 0.120 0.000 0.994 237 D CA 3.154 57.264 54.000 0.184 0.000 0.830 237 D CB -0.365 40.515 40.800 0.133 0.000 0.959 237 D HN 0.785 nan 8.370 nan 0.000 0.452 238 T N -1.626 113.005 114.554 0.128 0.000 2.867 238 T HA -0.189 4.144 4.350 -0.029 0.000 0.268 238 T C 1.909 176.567 174.700 -0.070 0.000 1.057 238 T CA 0.664 62.803 62.100 0.064 0.000 1.136 238 T CB -0.686 68.264 68.868 0.137 0.000 0.874 238 T HN 0.157 nan 8.240 nan 0.000 0.466 239 F N 0.789 120.456 119.950 -0.471 0.000 2.102 239 F HA 0.091 4.598 4.527 -0.033 0.000 0.298 239 F C 1.833 177.365 175.800 -0.445 0.000 1.105 239 F CA 0.661 58.289 58.000 -0.620 0.000 1.239 239 F CB -0.594 37.833 39.000 -0.956 0.000 0.991 239 F HN 0.146 nan 8.300 nan 0.000 0.474 240 W N 0.637 121.840 121.300 -0.163 0.000 2.467 240 W HA -0.084 4.562 4.660 -0.023 0.000 0.275 240 W C 2.292 178.720 176.519 -0.151 0.000 1.239 240 W CA 0.986 58.224 57.345 -0.179 0.000 1.266 240 W CB -0.623 28.829 29.460 -0.014 0.000 1.112 240 W HN 0.077 nan 8.180 nan 0.000 0.576 241 D N -0.448 119.990 120.400 0.063 0.000 2.092 241 D HA -0.307 4.316 4.640 -0.029 0.000 0.193 241 D C 1.887 178.191 176.300 0.007 0.000 0.994 241 D CA 1.595 55.618 54.000 0.038 0.000 0.828 241 D CB -0.597 40.235 40.800 0.053 0.000 0.963 241 D HN 0.193 nan 8.370 nan 0.000 0.450 242 Y N 0.320 120.516 120.300 -0.174 0.000 2.128 242 Y HA -0.202 4.332 4.550 -0.026 0.000 0.284 242 Y C 2.282 178.054 175.900 -0.213 0.000 1.154 242 Y CA 1.541 59.530 58.100 -0.185 0.000 1.149 242 Y CB -0.393 37.917 38.460 -0.250 0.000 0.976 242 Y HN -0.097 nan 8.280 nan 0.000 0.505 243 V N 0.047 119.851 119.914 -0.184 0.000 2.255 243 V HA -0.347 3.756 4.120 -0.029 0.000 0.247 243 V C 2.635 178.680 176.094 -0.081 0.000 1.051 243 V CA 2.230 64.417 62.300 -0.188 0.000 1.018 243 V CB -1.312 30.302 31.823 -0.348 0.000 0.641 243 V HN 0.661 nan 8.190 nan 0.000 0.445 244 S N -0.118 115.580 115.700 -0.003 0.000 2.440 244 S HA -0.160 4.293 4.470 -0.029 0.000 0.240 244 S C 1.681 176.251 174.600 -0.049 0.000 1.014 244 S CA 1.782 59.996 58.200 0.024 0.000 0.980 244 S CB -0.531 62.709 63.200 0.067 0.000 0.775 244 S HN 0.569 nan 8.310 nan 0.000 0.499 245 L N -0.284 120.861 121.223 -0.130 0.000 2.616 245 L HA 0.350 4.673 4.340 -0.029 0.000 0.229 245 L C 0.571 177.275 176.870 -0.277 0.000 1.110 245 L CA 0.052 54.787 54.840 -0.175 0.000 0.884 245 L CB 0.134 42.092 42.059 -0.168 0.000 1.115 245 L HN 0.231 nan 8.230 nan 0.000 0.481 246 Q N 0.159 119.757 119.800 -0.337 0.000 3.244 246 Q HA 0.229 4.552 4.340 -0.029 0.000 0.249 246 Q C -1.951 173.843 176.000 -0.344 0.000 0.951 246 Q CA -1.413 54.148 55.803 -0.404 0.000 0.740 246 Q CB 1.432 29.811 28.738 -0.599 0.000 1.334 246 Q HN -0.018 nan 8.270 nan 0.000 0.448 247 P HA -0.226 nan 4.420 nan 0.000 0.223 247 P C 1.022 178.044 177.300 -0.465 0.000 1.144 247 P CA 1.139 64.003 63.100 -0.394 0.000 0.783 247 P CB 0.246 31.668 31.700 -0.463 0.000 0.771 248 E N 0.683 120.482 120.200 -0.668 0.000 2.219 248 E HA -0.204 4.128 4.350 -0.029 0.000 0.198 248 E C 1.486 178.048 176.600 -0.063 0.000 0.998 248 E CA 1.953 58.204 56.400 -0.248 0.000 0.818 248 E CB -1.372 28.252 29.700 -0.126 0.000 0.741 248 E HN 0.302 nan 8.360 nan 0.000 0.477 249 T N -0.616 113.910 114.554 -0.046 0.000 3.007 249 T HA -0.014 4.318 4.350 -0.029 0.000 0.270 249 T C 1.952 176.733 174.700 0.135 0.000 1.107 249 T CA 0.583 62.728 62.100 0.075 0.000 1.118 249 T CB -0.311 68.639 68.868 0.137 0.000 0.889 249 T HN 0.156 nan 8.240 nan 0.000 0.506 250 L N -0.081 121.219 121.223 0.130 0.000 2.093 250 L HA -0.044 4.278 4.340 -0.029 0.000 0.208 250 L C 2.852 179.899 176.870 0.294 0.000 1.085 250 L CA 1.719 56.705 54.840 0.244 0.000 0.755 250 L CB -0.727 41.480 42.059 0.247 0.000 0.904 250 L HN 0.466 nan 8.230 nan 0.000 0.435 251 H N 0.053 119.175 119.070 0.087 0.000 2.267 251 H HA -0.220 4.319 4.556 -0.028 0.000 0.297 251 H C 2.169 177.494 175.328 -0.006 0.000 1.080 251 H CA 1.904 57.997 56.048 0.075 0.000 1.278 251 H CB 0.195 29.955 29.762 -0.004 0.000 1.365 251 H HN 0.350 nan 8.280 nan 0.000 0.489 252 N N -0.140 118.393 118.700 -0.278 0.000 2.244 252 N HA -0.132 4.590 4.740 -0.029 0.000 0.183 252 N C 1.963 177.317 175.510 -0.259 0.000 1.016 252 N CA 0.781 53.449 53.050 -0.638 0.000 0.866 252 N CB 0.240 37.877 38.487 -1.416 0.000 0.980 252 N HN 0.127 nan 8.380 nan 0.000 0.430 253 V N 1.672 121.652 119.914 0.111 0.000 2.332 253 V HA -0.257 3.846 4.120 -0.029 0.000 0.248 253 V C 2.497 178.739 176.094 0.247 0.000 1.055 253 V CA 1.241 63.748 62.300 0.345 0.000 1.038 253 V CB -0.365 31.718 31.823 0.434 0.000 0.651 253 V HN 0.409 nan 8.190 nan 0.000 0.450 254 M N -1.630 118.155 119.600 0.310 0.000 2.080 254 M HA -0.222 4.240 4.480 -0.029 0.000 0.260 254 M C 2.065 178.403 176.300 0.064 0.000 1.068 254 M CA 1.960 57.453 55.300 0.322 0.000 1.109 254 M CB -1.204 31.631 32.600 0.392 0.000 1.342 254 M HN 0.475 nan 8.290 nan 0.000 0.405 255 W N 0.448 121.514 121.300 -0.389 0.000 2.355 255 W HA -0.096 4.549 4.660 -0.025 0.000 0.309 255 W C 2.821 179.275 176.519 -0.107 0.000 1.206 255 W CA 1.895 58.976 57.345 -0.440 0.000 1.284 255 W CB -1.136 27.979 29.460 -0.574 0.000 1.145 255 W HN 0.297 nan 8.180 nan 0.000 0.502 256 A N -0.532 122.375 122.820 0.145 0.000 1.940 256 A HA -0.220 4.083 4.320 -0.029 0.000 0.219 256 A C 1.945 179.578 177.584 0.081 0.000 1.176 256 A CA 1.956 54.079 52.037 0.144 0.000 0.631 256 A CB -0.643 18.483 19.000 0.210 0.000 0.814 256 A HN 0.128 nan 8.150 nan 0.000 0.446 257 M N 0.580 120.187 119.600 0.011 0.000 2.419 257 M HA 0.012 4.475 4.480 -0.029 0.000 0.264 257 M C 1.491 177.826 176.300 0.058 0.000 1.082 257 M CA 0.847 56.088 55.300 -0.099 0.000 1.119 257 M CB -1.417 30.868 32.600 -0.526 0.000 1.398 257 M HN 0.560 nan 8.290 nan 0.000 0.453 258 S N 0.277 116.075 115.700 0.163 0.000 2.634 258 S HA 0.084 4.537 4.470 -0.029 0.000 0.261 258 S C 0.728 175.452 174.600 0.207 0.000 1.271 258 S CA -0.435 57.901 58.200 0.228 0.000 0.985 258 S CB 0.970 64.359 63.200 0.315 0.000 0.968 258 S HN 0.188 nan 8.310 nan 0.000 0.568 259 D N 0.228 120.771 120.400 0.238 0.000 2.350 259 D HA 0.017 4.639 4.640 -0.029 0.000 0.216 259 D C 1.879 178.322 176.300 0.238 0.000 0.968 259 D CA 0.338 54.498 54.000 0.266 0.000 0.894 259 D CB -0.172 40.851 40.800 0.372 0.000 0.909 259 D HN 0.377 nan 8.370 nan 0.000 0.520 260 R N 0.309 120.941 120.500 0.220 0.000 2.139 260 R HA -0.083 4.240 4.340 -0.029 0.000 0.243 260 R C 2.074 178.530 176.300 0.259 0.000 1.145 260 R CA 1.114 57.368 56.100 0.256 0.000 0.976 260 R CB -0.901 29.602 30.300 0.337 0.000 0.866 260 R HN 0.216 nan 8.270 nan 0.000 0.449 261 G N 1.079 110.018 108.800 0.233 0.000 2.744 261 G HA2 -0.022 3.920 3.960 -0.029 0.000 0.211 261 G HA3 -0.022 3.920 3.960 -0.029 0.000 0.211 261 G C 1.013 176.055 174.900 0.236 0.000 1.143 261 G CA 0.103 45.334 45.100 0.218 0.000 0.788 261 G HN 0.417 nan 8.290 nan 0.000 0.534 262 I N -1.825 118.895 120.570 0.250 0.000 2.862 262 I HA 0.364 4.516 4.170 -0.029 0.000 0.285 262 I C -2.852 173.429 176.117 0.273 0.000 1.339 262 I CA -2.690 58.769 61.300 0.265 0.000 1.002 262 I CB 1.745 39.901 38.000 0.261 0.000 1.618 262 I HN -0.261 nan 8.210 nan 0.000 0.593 263 P HA 0.065 nan 4.420 nan 0.000 0.269 263 P C 0.592 178.047 177.300 0.257 0.000 1.209 263 P CA -0.094 63.127 63.100 0.201 0.000 0.776 263 P CB 1.299 33.059 31.700 0.101 0.000 0.876 264 R N 2.792 123.419 120.500 0.210 0.000 2.081 264 R HA -0.062 4.261 4.340 -0.029 0.000 0.235 264 R C 0.474 176.902 176.300 0.213 0.000 1.131 264 R CA 1.953 58.220 56.100 0.279 0.000 0.960 264 R CB -0.475 29.947 30.300 0.204 0.000 0.856 264 R HN 0.666 nan 8.270 nan 0.000 0.436 265 S N -3.271 112.355 115.700 -0.124 0.000 2.588 265 S HA 0.230 4.683 4.470 -0.029 0.000 0.269 265 S C -0.010 174.285 174.600 -0.508 0.000 1.157 265 S CA -0.840 57.075 58.200 -0.475 0.000 0.824 265 S CB 0.143 63.194 63.200 -0.248 0.000 1.126 265 S HN 0.069 nan 8.310 nan 0.000 0.464 266 Y N 1.246 121.165 120.300 -0.634 0.000 2.315 266 Y HA 0.040 4.573 4.550 -0.027 0.000 0.288 266 Y C 2.548 178.112 175.900 -0.560 0.000 1.154 266 Y CA 1.160 58.765 58.100 -0.826 0.000 1.229 266 Y CB -0.643 36.946 38.460 -1.451 0.000 0.980 266 Y HN 0.621 nan 8.280 nan 0.000 0.540 267 R N -0.453 119.911 120.500 -0.228 0.000 2.193 267 R HA -0.076 4.246 4.340 -0.029 0.000 0.229 267 R C 0.997 177.234 176.300 -0.104 0.000 1.110 267 R CA 1.575 57.581 56.100 -0.157 0.000 0.988 267 R CB -0.502 29.708 30.300 -0.149 0.000 0.871 267 R HN 0.368 nan 8.270 nan 0.000 0.458 268 T N -1.950 112.569 114.554 -0.058 0.000 3.374 268 T HA 0.372 4.704 4.350 -0.029 0.000 0.267 268 T C 0.146 174.883 174.700 0.061 0.000 0.996 268 T CA -0.673 61.424 62.100 -0.006 0.000 0.977 268 T CB -0.082 68.768 68.868 -0.029 0.000 1.149 268 T HN 0.083 nan 8.240 nan 0.000 0.517 269 M N -1.185 118.500 119.600 0.141 0.000 2.593 269 M HA 0.734 5.197 4.480 -0.029 0.000 0.290 269 M C -1.368 175.117 176.300 0.308 0.000 1.244 269 M CA -0.874 54.553 55.300 0.211 0.000 0.857 269 M CB 2.182 34.905 32.600 0.204 0.000 1.738 269 M HN -0.128 nan 8.290 nan 0.000 0.461 270 E N 0.386 120.752 120.200 0.277 0.000 2.314 270 E HA 0.669 5.002 4.350 -0.029 0.000 0.262 270 E C -0.319 176.322 176.600 0.069 0.000 1.093 270 E CA -0.698 55.783 56.400 0.134 0.000 0.908 270 E CB 1.745 31.439 29.700 -0.011 0.000 1.091 270 E HN 0.851 nan 8.360 nan 0.000 0.425 271 G N 0.727 109.381 108.800 -0.243 0.000 2.481 271 G HA2 0.640 4.583 3.960 -0.029 0.000 0.315 271 G HA3 0.640 4.583 3.960 -0.029 0.000 0.315 271 G C -1.412 173.021 174.900 -0.777 0.000 1.231 271 G CA -0.489 44.425 45.100 -0.310 0.000 0.968 271 G HN 0.299 nan 8.290 nan 0.000 0.482 272 F N -0.401 119.462 119.950 -0.145 0.000 2.608 272 F HA 0.477 4.985 4.527 -0.031 0.000 0.309 272 F C 1.118 176.811 175.800 -0.178 0.000 1.103 272 F CA -0.602 57.243 58.000 -0.258 0.000 0.954 272 F CB 2.451 41.247 39.000 -0.341 0.000 1.267 272 F HN 0.608 nan 8.300 nan 0.000 0.444 273 G N 0.988 109.834 108.800 0.076 0.000 2.534 273 G HA2 0.039 3.982 3.960 -0.029 0.000 0.217 273 G HA3 0.039 3.982 3.960 -0.029 0.000 0.217 273 G C 1.248 176.188 174.900 0.068 0.000 1.128 273 G CA 1.000 46.204 45.100 0.172 0.000 0.784 273 G HN 0.820 nan 8.290 nan 0.000 0.542 274 I N -1.177 119.355 120.570 -0.063 0.000 4.497 274 I HA -0.329 3.824 4.170 -0.029 0.000 0.059 274 I C 0.539 176.505 176.117 -0.251 0.000 0.607 274 I CA 1.655 62.788 61.300 -0.277 0.000 0.958 274 I CB -1.200 36.528 38.000 -0.453 0.000 0.864 274 I HN 0.274 nan 8.210 nan 0.000 0.166 275 H N 2.337 121.393 119.070 -0.025 0.000 2.707 275 H HA 0.237 4.775 4.556 -0.031 0.000 0.359 275 H C 0.136 175.366 175.328 -0.164 0.000 1.113 275 H CA 0.402 56.332 56.048 -0.196 0.000 1.422 275 H CB 0.364 29.833 29.762 -0.488 0.000 1.443 275 H HN 0.187 nan 8.280 nan 0.000 0.591 276 T N 4.236 118.735 114.554 -0.092 0.000 2.799 276 T HA 0.163 4.495 4.350 -0.029 0.000 0.296 276 T C 0.330 174.932 174.700 -0.162 0.000 0.947 276 T CA 0.207 62.243 62.100 -0.107 0.000 1.141 276 T CB -0.246 68.505 68.868 -0.195 0.000 0.891 276 T HN 0.244 nan 8.240 nan 0.000 0.533 277 F N 1.346 121.265 119.950 -0.051 0.000 2.629 277 F HA 0.667 5.174 4.527 -0.034 0.000 0.386 277 F C 1.057 176.832 175.800 -0.042 0.000 1.135 277 F CA -1.302 56.696 58.000 -0.003 0.000 1.116 277 F CB 1.311 40.300 39.000 -0.018 0.000 1.426 277 F HN 0.204 nan 8.300 nan 0.000 0.501 278 R N 0.439 121.011 120.500 0.120 0.000 2.750 278 R HA 0.643 4.966 4.340 -0.029 0.000 0.281 278 R C -1.669 174.524 176.300 -0.178 0.000 0.972 278 R CA -0.858 55.179 56.100 -0.105 0.000 0.912 278 R CB 2.038 32.217 30.300 -0.202 0.000 1.187 278 R HN 0.419 nan 8.270 nan 0.000 0.464 279 L N 3.548 124.616 121.223 -0.260 0.000 2.322 279 L HA 0.556 4.878 4.340 -0.029 0.000 0.279 279 L C -0.461 176.248 176.870 -0.267 0.000 1.036 279 L CA -0.926 53.763 54.840 -0.251 0.000 0.807 279 L CB 1.339 43.249 42.059 -0.248 0.000 1.226 279 L HN 0.368 nan 8.230 nan 0.000 0.433 280 I N 2.607 123.041 120.570 -0.226 0.000 2.447 280 I HA 0.285 4.438 4.170 -0.029 0.000 0.287 280 I C -0.344 175.679 176.117 -0.158 0.000 1.023 280 I CA -0.676 60.492 61.300 -0.220 0.000 1.083 280 I CB 1.462 39.336 38.000 -0.209 0.000 1.245 280 I HN 0.633 nan 8.210 nan 0.000 0.434 281 N N 4.819 123.438 118.700 -0.134 0.000 2.491 281 N HA 0.411 5.134 4.740 -0.029 0.000 0.279 281 N C 0.816 176.280 175.510 -0.076 0.000 1.236 281 N CA -0.370 52.623 53.050 -0.095 0.000 0.982 281 N CB 0.642 39.081 38.487 -0.080 0.000 1.194 281 N HN 0.523 nan 8.380 nan 0.000 0.582 282 A N -0.566 122.220 122.820 -0.057 0.000 1.972 282 A HA -0.209 4.093 4.320 -0.029 0.000 0.219 282 A C 1.757 179.318 177.584 -0.038 0.000 1.169 282 A CA 1.738 53.749 52.037 -0.045 0.000 0.635 282 A CB -1.143 17.838 19.000 -0.033 0.000 0.810 282 A HN 0.908 nan 8.150 nan 0.000 0.446 283 E N -0.860 119.317 120.200 -0.037 0.000 2.409 283 E HA 0.171 4.503 4.350 -0.029 0.000 0.198 283 E C 1.136 177.723 176.600 -0.023 0.000 1.024 283 E CA 0.842 57.225 56.400 -0.028 0.000 0.861 283 E CB -0.544 29.140 29.700 -0.027 0.000 0.788 283 E HN 0.856 nan 8.360 nan 0.000 0.521 284 G N 1.700 110.481 108.800 -0.031 0.000 2.143 284 G HA2 -0.373 3.569 3.960 -0.029 0.000 0.249 284 G HA3 -0.373 3.569 3.960 -0.029 0.000 0.249 284 G C 0.082 174.984 174.900 0.003 0.000 0.981 284 G CA 0.368 45.465 45.100 -0.004 0.000 0.665 284 G HN 0.446 nan 8.290 nan 0.000 0.528 285 K N 0.676 121.041 120.400 -0.058 0.000 2.322 285 K HA 0.651 4.954 4.320 -0.029 0.000 0.283 285 K C 0.562 177.005 176.600 -0.262 0.000 1.042 285 K CA 0.123 56.346 56.287 -0.108 0.000 0.958 285 K CB 0.578 33.023 32.500 -0.092 0.000 0.984 285 K HN 0.603 nan 8.250 nan 0.000 0.473 286 A N 3.706 126.248 122.820 -0.462 0.000 2.289 286 A HA 0.338 4.641 4.320 -0.029 0.000 0.298 286 A C -0.688 176.557 177.584 -0.565 0.000 1.208 286 A CA -0.476 51.122 52.037 -0.731 0.000 0.845 286 A CB 0.852 18.944 19.000 -1.514 0.000 1.125 286 A HN 0.738 nan 8.150 nan 0.000 0.517 287 T N 2.981 117.261 114.554 -0.457 0.000 2.807 287 T HA 0.514 4.847 4.350 -0.029 0.000 0.279 287 T C -0.513 173.985 174.700 -0.338 0.000 0.993 287 T CA -0.053 61.834 62.100 -0.355 0.000 0.970 287 T CB 0.279 69.027 68.868 -0.200 0.000 0.950 287 T HN 0.343 nan 8.240 nan 0.000 0.441 288 F N 2.344 122.195 119.950 -0.165 0.000 2.484 288 F HA 0.479 4.988 4.527 -0.031 0.000 0.360 288 F C 0.573 176.253 175.800 -0.200 0.000 1.101 288 F CA -0.405 57.494 58.000 -0.168 0.000 1.251 288 F CB 0.593 39.513 39.000 -0.132 0.000 1.132 288 F HN 0.178 nan 8.300 nan 0.000 0.570 289 V N 5.030 124.907 119.914 -0.062 0.000 2.841 289 V HA 0.593 4.696 4.120 -0.029 0.000 0.310 289 V C -0.945 174.930 176.094 -0.364 0.000 1.090 289 V CA -0.774 61.338 62.300 -0.313 0.000 0.930 289 V CB 2.056 33.470 31.823 -0.682 0.000 1.014 289 V HN 0.757 nan 8.190 nan 0.000 0.425 290 R N 4.722 125.053 120.500 -0.280 0.000 2.562 290 R HA 0.550 4.873 4.340 -0.029 0.000 0.298 290 R C -1.559 174.643 176.300 -0.163 0.000 0.961 290 R CA -0.458 55.517 56.100 -0.208 0.000 0.881 290 R CB 2.022 32.322 30.300 -0.000 0.000 1.159 290 R HN 0.598 nan 8.270 nan 0.000 0.450 291 F N 2.017 122.008 119.950 0.069 0.000 2.385 291 F HA 0.360 4.868 4.527 -0.031 0.000 0.336 291 F C 0.997 176.737 175.800 -0.100 0.000 1.100 291 F CA -0.008 57.994 58.000 0.003 0.000 1.116 291 F CB 0.846 39.738 39.000 -0.179 0.000 1.166 291 F HN 0.199 nan 8.300 nan 0.000 0.511 292 H N 0.724 119.785 119.070 -0.015 0.000 2.851 292 H HA 0.229 4.769 4.556 -0.027 0.000 0.372 292 H C -1.603 173.483 175.328 -0.403 0.000 1.158 292 H CA -1.034 54.896 56.048 -0.196 0.000 1.159 292 H CB 1.968 31.710 29.762 -0.033 0.000 1.757 292 H HN 0.675 nan 8.280 nan 0.000 0.546 293 W N 2.339 123.512 121.300 -0.211 0.000 2.532 293 W HA 0.326 4.966 4.660 -0.033 0.000 0.321 293 W C -0.098 176.438 176.519 0.027 0.000 1.037 293 W CA -0.748 56.526 57.345 -0.119 0.000 1.220 293 W CB 1.796 30.987 29.460 -0.450 0.000 1.361 293 W HN 0.262 nan 8.180 nan 0.000 0.468 294 K N 5.694 126.356 120.400 0.437 0.000 2.265 294 K HA 0.384 4.686 4.320 -0.029 0.000 0.267 294 K C -2.425 174.397 176.600 0.370 0.000 0.994 294 K CA -1.913 54.570 56.287 0.327 0.000 0.860 294 K CB 1.438 34.080 32.500 0.236 0.000 1.099 294 K HN 0.034 nan 8.250 nan 0.000 0.448 295 P HA 0.067 nan 4.420 nan 0.000 0.281 295 P C 0.319 177.620 177.300 0.000 0.000 1.286 295 P CA -0.109 63.039 63.100 0.080 0.000 0.772 295 P CB 0.754 32.523 31.700 0.114 0.000 0.862 296 L N 2.746 123.923 121.223 -0.076 0.000 2.376 296 L HA -0.093 4.230 4.340 -0.029 0.000 0.219 296 L C 2.314 179.165 176.870 -0.031 0.000 1.133 296 L CA 1.089 55.922 54.840 -0.013 0.000 0.816 296 L CB -0.586 41.478 42.059 0.008 0.000 0.933 296 L HN 0.331 nan 8.230 nan 0.000 0.449 297 A N -0.041 122.730 122.820 -0.082 0.000 2.119 297 A HA 0.334 4.637 4.320 -0.029 0.000 0.217 297 A C 1.285 178.863 177.584 -0.010 0.000 1.153 297 A CA 0.915 52.921 52.037 -0.051 0.000 0.692 297 A CB -0.364 18.586 19.000 -0.083 0.000 0.799 297 A HN 0.471 nan 8.150 nan 0.000 0.458 298 G N -1.173 107.632 108.800 0.008 0.000 2.603 298 G HA2 -0.051 3.891 3.960 -0.029 0.000 0.686 298 G HA3 -0.051 3.891 3.960 -0.029 0.000 0.686 298 G C -0.750 174.173 174.900 0.038 0.000 1.286 298 G CA -0.452 44.673 45.100 0.042 0.000 0.871 298 G HN 0.434 nan 8.290 nan 0.000 0.568 299 K N 0.023 120.451 120.400 0.046 0.000 2.172 299 K HA 0.732 5.035 4.320 -0.029 0.000 0.276 299 K C 0.212 176.797 176.600 -0.026 0.000 1.013 299 K CA 0.241 56.537 56.287 0.015 0.000 0.913 299 K CB 1.765 34.259 32.500 -0.010 0.000 1.055 299 K HN 1.504 nan 8.250 nan 0.000 0.461 300 A N 1.657 124.451 122.820 -0.043 0.000 2.513 300 A HA 0.539 4.842 4.320 -0.029 0.000 0.296 300 A C -1.157 176.460 177.584 0.054 0.000 1.052 300 A CA -0.710 51.264 52.037 -0.104 0.000 0.714 300 A CB 1.592 20.348 19.000 -0.406 0.000 1.279 300 A HN 0.505 nan 8.150 nan 0.000 0.397 301 S N 0.937 116.829 115.700 0.318 0.000 2.599 301 S HA 0.748 5.200 4.470 -0.029 0.000 0.294 301 S C 0.131 175.049 174.600 0.531 0.000 1.094 301 S CA -0.630 57.806 58.200 0.392 0.000 0.931 301 S CB 1.183 64.604 63.200 0.369 0.000 1.093 301 S HN 0.647 nan 8.310 nan 0.000 0.488 302 L N 1.378 122.813 121.223 0.353 0.000 2.464 302 L HA 0.447 4.769 4.340 -0.029 0.000 0.224 302 L C 0.118 177.116 176.870 0.213 0.000 1.219 302 L CA -0.608 54.371 54.840 0.231 0.000 0.831 302 L CB 0.094 42.209 42.059 0.093 0.000 1.284 302 L HN 0.492 nan 8.230 nan 0.000 0.522 303 V N -3.166 116.769 119.914 0.035 0.000 2.769 303 V HA 0.178 4.280 4.120 -0.029 0.000 0.312 303 V C 0.687 176.733 176.094 -0.080 0.000 1.058 303 V CA -0.834 61.453 62.300 -0.022 0.000 0.952 303 V CB 1.589 33.369 31.823 -0.073 0.000 1.019 303 V HN 0.945 nan 8.190 nan 0.000 0.445 304 W N 1.910 123.078 121.300 -0.219 0.000 2.317 304 W HA -0.255 4.387 4.660 -0.030 0.000 0.318 304 W C 1.752 178.119 176.519 -0.252 0.000 1.227 304 W CA 2.625 59.836 57.345 -0.224 0.000 1.269 304 W CB -0.089 29.222 29.460 -0.248 0.000 1.155 304 W HN 0.998 nan 8.180 nan 0.000 0.484 305 D N 0.111 120.247 120.400 -0.439 0.000 2.144 305 D HA -0.275 4.347 4.640 -0.029 0.000 0.199 305 D C 2.165 178.109 176.300 -0.593 0.000 0.984 305 D CA 2.038 55.727 54.000 -0.519 0.000 0.834 305 D CB -0.469 40.267 40.800 -0.105 0.000 0.955 305 D HN 0.352 nan 8.370 nan 0.000 0.465 306 E N -0.460 119.264 120.200 -0.793 0.000 2.051 306 E HA -0.201 4.131 4.350 -0.029 0.000 0.192 306 E C 1.980 178.255 176.600 -0.541 0.000 0.991 306 E CA 1.049 56.954 56.400 -0.825 0.000 0.799 306 E CB -0.179 28.974 29.700 -0.911 0.000 0.748 306 E HN 0.315 nan 8.360 nan 0.000 0.449 307 A N 0.960 123.485 122.820 -0.492 0.000 1.898 307 A HA -0.240 4.063 4.320 -0.029 0.000 0.216 307 A C 2.136 179.402 177.584 -0.530 0.000 1.181 307 A CA 1.703 53.493 52.037 -0.411 0.000 0.620 307 A CB -0.599 18.279 19.000 -0.202 0.000 0.819 307 A HN 0.413 nan 8.150 nan 0.000 0.442 308 Q N -0.377 118.915 119.800 -0.848 0.000 2.079 308 Q HA -0.161 4.162 4.340 -0.029 0.000 0.200 308 Q C 1.929 177.665 176.000 -0.441 0.000 0.974 308 Q CA 1.468 56.791 55.803 -0.801 0.000 0.840 308 Q CB -0.086 27.945 28.738 -1.179 0.000 0.898 308 Q HN 0.530 nan 8.270 nan 0.000 0.430 309 K N 0.215 120.378 120.400 -0.395 0.000 2.103 309 K HA -0.160 4.142 4.320 -0.029 0.000 0.207 309 K C 2.045 178.503 176.600 -0.237 0.000 1.048 309 K CA 0.735 56.875 56.287 -0.245 0.000 0.930 309 K CB -0.210 32.182 32.500 -0.180 0.000 0.716 309 K HN 0.228 nan 8.250 nan 0.000 0.444 310 L N 1.593 122.630 121.223 -0.310 0.000 2.141 310 L HA -0.135 4.187 4.340 -0.029 0.000 0.209 310 L C 2.502 179.237 176.870 -0.225 0.000 1.094 310 L CA 1.971 56.621 54.840 -0.318 0.000 0.763 310 L CB -1.274 40.501 42.059 -0.473 0.000 0.908 310 L HN 0.340 nan 8.230 nan 0.000 0.437 311 T N -4.536 109.890 114.554 -0.213 0.000 2.881 311 T HA -0.096 4.237 4.350 -0.029 0.000 0.270 311 T C 1.841 176.478 174.700 -0.105 0.000 1.068 311 T CA 1.093 63.109 62.100 -0.139 0.000 1.131 311 T CB -0.790 68.005 68.868 -0.121 0.000 0.871 311 T HN 0.353 nan 8.240 nan 0.000 0.479 312 G N 0.922 109.653 108.800 -0.116 0.000 2.459 312 G HA2 0.032 3.975 3.960 -0.029 0.000 0.213 312 G HA3 0.032 3.975 3.960 -0.029 0.000 0.213 312 G C 1.913 176.770 174.900 -0.072 0.000 1.155 312 G CA -0.300 44.750 45.100 -0.084 0.000 0.811 312 G HN 0.313 nan 8.290 nan 0.000 0.534 313 R N 0.206 120.654 120.500 -0.087 0.000 2.093 313 R HA 0.068 4.391 4.340 -0.029 0.000 0.224 313 R C -0.184 176.090 176.300 -0.043 0.000 1.101 313 R CA 0.720 56.782 56.100 -0.063 0.000 0.979 313 R CB -0.142 30.115 30.300 -0.073 0.000 0.877 313 R HN 0.302 nan 8.270 nan 0.000 0.441 314 D N -0.154 120.215 120.400 -0.052 0.000 2.472 314 D HA 0.158 4.781 4.640 -0.029 0.000 0.248 314 D C -2.095 174.207 176.300 0.005 0.000 1.271 314 D CA -1.846 52.156 54.000 0.004 0.000 0.888 314 D CB 1.337 42.187 40.800 0.083 0.000 1.337 314 D HN -0.142 nan 8.370 nan 0.000 0.526 315 P HA 0.004 nan 4.420 nan 0.000 0.228 315 P C 0.069 177.377 177.300 0.013 0.000 1.151 315 P CA 0.602 63.692 63.100 -0.016 0.000 0.770 315 P CB 0.486 32.173 31.700 -0.022 0.000 0.786 316 D N -1.415 119.004 120.400 0.031 0.000 2.388 316 D HA 0.064 4.687 4.640 -0.029 0.000 0.221 316 D C 1.261 177.603 176.300 0.070 0.000 1.133 316 D CA -0.405 53.620 54.000 0.041 0.000 0.831 316 D CB -0.547 40.255 40.800 0.003 0.000 0.962 316 D HN 0.133 nan 8.370 nan 0.000 0.502 317 F N 1.396 121.295 119.950 -0.085 0.000 2.069 317 F HA -0.261 4.248 4.527 -0.030 0.000 0.298 317 F C 2.138 177.923 175.800 -0.025 0.000 1.113 317 F CA 1.900 59.846 58.000 -0.090 0.000 1.214 317 F CB 0.023 38.918 39.000 -0.175 0.000 0.978 317 F HN 0.108 nan 8.300 nan 0.000 0.474 318 H N -1.145 117.806 119.070 -0.199 0.000 2.389 318 H HA -0.107 4.431 4.556 -0.030 0.000 0.299 318 H C 2.399 177.582 175.328 -0.242 0.000 1.081 318 H CA 0.900 56.678 56.048 -0.451 0.000 1.345 318 H CB -0.116 29.244 29.762 -0.670 0.000 1.393 318 H HN 0.196 nan 8.280 nan 0.000 0.520 319 R N 1.240 121.813 120.500 0.122 0.000 2.073 319 R HA -0.143 4.180 4.340 -0.029 0.000 0.234 319 R C 2.461 178.855 176.300 0.157 0.000 1.134 319 R CA 1.408 57.640 56.100 0.220 0.000 0.952 319 R CB -0.057 30.363 30.300 0.200 0.000 0.850 319 R HN 0.189 nan 8.270 nan 0.000 0.433 320 R N 0.315 120.837 120.500 0.036 0.000 2.081 320 R HA -0.206 4.116 4.340 -0.029 0.000 0.235 320 R C 2.159 178.462 176.300 0.005 0.000 1.131 320 R CA 2.098 58.208 56.100 0.016 0.000 0.960 320 R CB -0.170 30.106 30.300 -0.040 0.000 0.856 320 R HN 0.290 nan 8.270 nan 0.000 0.436 321 E N 0.444 120.540 120.200 -0.172 0.000 2.072 321 E HA -0.197 4.136 4.350 -0.029 0.000 0.191 321 E C 1.895 178.464 176.600 -0.052 0.000 0.985 321 E CA 1.119 57.386 56.400 -0.222 0.000 0.801 321 E CB -0.362 29.039 29.700 -0.499 0.000 0.750 321 E HN 0.300 nan 8.360 nan 0.000 0.452 322 L N 0.340 121.570 121.223 0.012 0.000 1.989 322 L HA -0.124 4.199 4.340 -0.029 0.000 0.211 322 L C 2.217 179.193 176.870 0.176 0.000 1.071 322 L CA 2.172 57.076 54.840 0.107 0.000 0.749 322 L CB -0.986 41.203 42.059 0.218 0.000 0.890 322 L HN 0.443 nan 8.230 nan 0.000 0.431 323 W N 0.804 122.141 121.300 0.062 0.000 2.335 323 W HA -0.216 4.425 4.660 -0.031 0.000 0.311 323 W C 2.230 178.785 176.519 0.060 0.000 1.213 323 W CA 2.177 59.571 57.345 0.082 0.000 1.274 323 W CB -0.107 29.404 29.460 0.085 0.000 1.148 323 W HN 0.358 nan 8.180 nan 0.000 0.498 324 E N -0.137 120.248 120.200 0.308 0.000 2.208 324 E HA -0.103 4.229 4.350 -0.029 0.000 0.193 324 E C 2.337 178.983 176.600 0.077 0.000 0.988 324 E CA 0.869 57.378 56.400 0.181 0.000 0.828 324 E CB -0.278 29.485 29.700 0.105 0.000 0.763 324 E HN 0.178 nan 8.360 nan 0.000 0.478 325 A N 1.390 124.252 122.820 0.069 0.000 1.877 325 A HA -0.179 4.123 4.320 -0.029 0.000 0.216 325 A C 2.159 179.796 177.584 0.088 0.000 1.186 325 A CA 1.069 53.143 52.037 0.062 0.000 0.620 325 A CB -0.546 18.484 19.000 0.051 0.000 0.822 325 A HN 0.132 nan 8.150 nan 0.000 0.443 326 I N -0.434 120.200 120.570 0.106 0.000 2.226 326 I HA -0.242 3.911 4.170 -0.029 0.000 0.245 326 I C 2.463 178.673 176.117 0.155 0.000 1.100 326 I CA 1.459 62.871 61.300 0.187 0.000 1.374 326 I CB -0.468 37.547 38.000 0.026 0.000 1.057 326 I HN 0.434 nan 8.210 nan 0.000 0.413 327 E N 0.888 121.115 120.200 0.045 0.000 2.153 327 E HA -0.191 4.142 4.350 -0.029 0.000 0.194 327 E C 2.100 178.732 176.600 0.054 0.000 0.988 327 E CA 1.271 57.707 56.400 0.059 0.000 0.811 327 E CB -0.106 29.655 29.700 0.102 0.000 0.746 327 E HN 0.501 nan 8.360 nan 0.000 0.466 328 A N 0.141 122.974 122.820 0.022 0.000 2.238 328 A HA 0.224 4.527 4.320 -0.029 0.000 0.208 328 A C 1.728 179.278 177.584 -0.057 0.000 1.177 328 A CA 0.872 52.901 52.037 -0.014 0.000 0.804 328 A CB -0.180 18.790 19.000 -0.049 0.000 0.823 328 A HN 0.329 nan 8.150 nan 0.000 0.482 329 G N -0.389 108.327 108.800 -0.141 0.000 2.143 329 G HA2 -0.212 3.731 3.960 -0.029 0.000 0.249 329 G HA3 -0.212 3.731 3.960 -0.029 0.000 0.249 329 G C -0.191 174.266 174.900 -0.739 0.000 0.981 329 G CA 0.278 45.021 45.100 -0.595 0.000 0.665 329 G HN 0.459 nan 8.290 nan 0.000 0.528 330 D N 0.857 121.082 120.400 -0.292 0.000 2.845 330 D HA 0.276 4.899 4.640 -0.029 0.000 0.235 330 D C 0.815 177.089 176.300 -0.045 0.000 1.158 330 D CA -0.191 53.715 54.000 -0.156 0.000 0.990 330 D CB -0.664 40.139 40.800 0.006 0.000 1.094 330 D HN 0.448 nan 8.370 nan 0.000 0.486 331 F N 1.373 121.326 119.950 0.005 0.000 2.602 331 F HA 0.093 4.602 4.527 -0.029 0.000 0.385 331 F C -1.352 174.418 175.800 -0.050 0.000 1.063 331 F CA -2.011 55.983 58.000 -0.009 0.000 1.233 331 F CB -0.047 38.959 39.000 0.010 0.000 1.067 331 F HN -0.104 nan 8.300 nan 0.000 0.564 332 P HA -0.013 nan 4.420 nan 0.000 0.260 332 P C -1.037 176.202 177.300 -0.100 0.000 1.185 332 P CA 0.520 63.599 63.100 -0.035 0.000 0.763 332 P CB 0.386 32.151 31.700 0.108 0.000 0.776 333 E N 2.604 122.601 120.200 -0.338 0.000 2.222 333 E HA 0.444 4.777 4.350 -0.029 0.000 0.267 333 E C -0.977 175.352 176.600 -0.450 0.000 0.884 333 E CA -0.579 55.687 56.400 -0.224 0.000 0.764 333 E CB 1.480 31.151 29.700 -0.048 0.000 1.169 333 E HN 0.388 nan 8.360 nan 0.000 0.413 334 Y N 0.283 120.646 120.300 0.105 0.000 2.512 334 Y HA 0.286 4.821 4.550 -0.026 0.000 0.348 334 Y C -0.174 175.945 175.900 0.365 0.000 0.990 334 Y CA -1.045 57.191 58.100 0.227 0.000 1.033 334 Y CB 2.002 40.573 38.460 0.184 0.000 1.259 334 Y HN 0.463 nan 8.280 nan 0.000 0.461 335 E N 2.332 122.862 120.200 0.550 0.000 2.174 335 E HA 0.383 4.716 4.350 -0.029 0.000 0.282 335 E C -1.479 175.401 176.600 0.467 0.000 0.992 335 E CA -0.958 55.706 56.400 0.439 0.000 0.803 335 E CB 1.016 30.904 29.700 0.315 0.000 1.090 335 E HN 0.573 nan 8.360 nan 0.000 0.396 336 L N 4.364 125.779 121.223 0.321 0.000 2.367 336 L HA 0.479 4.801 4.340 -0.029 0.000 0.275 336 L C -0.083 176.698 176.870 -0.149 0.000 1.129 336 L CA 0.574 55.323 54.840 -0.151 0.000 0.839 336 L CB 0.915 42.822 42.059 -0.254 0.000 1.133 336 L HN 0.555 nan 8.230 nan 0.000 0.453 337 G N 4.760 113.499 108.800 -0.102 0.000 2.524 337 G HA2 0.553 4.495 3.960 -0.029 0.000 0.310 337 G HA3 0.553 4.495 3.960 -0.029 0.000 0.310 337 G C -1.485 173.541 174.900 0.210 0.000 1.279 337 G CA -0.510 44.566 45.100 -0.040 0.000 0.974 337 G HN 0.483 nan 8.290 nan 0.000 0.484 338 F N 0.317 120.264 119.950 -0.004 0.000 2.482 338 F HA 0.391 4.901 4.527 -0.028 0.000 0.331 338 F C 0.448 176.223 175.800 -0.042 0.000 1.115 338 F CA -0.979 57.016 58.000 -0.009 0.000 0.955 338 F CB 2.497 41.479 39.000 -0.030 0.000 1.136 338 F HN 0.124 nan 8.300 nan 0.000 0.452 339 Q N 4.255 124.150 119.800 0.158 0.000 2.303 339 Q HA 0.497 4.820 4.340 -0.029 0.000 0.257 339 Q C -1.067 174.965 176.000 0.054 0.000 0.941 339 Q CA -0.509 55.341 55.803 0.077 0.000 0.931 339 Q CB 2.283 31.074 28.738 0.088 0.000 1.215 339 Q HN 0.549 nan 8.270 nan 0.000 0.437 340 L N 4.390 125.654 121.223 0.069 0.000 2.333 340 L HA 0.557 4.880 4.340 -0.029 0.000 0.280 340 L C -0.873 176.045 176.870 0.081 0.000 1.004 340 L CA -0.743 54.129 54.840 0.053 0.000 0.820 340 L CB 1.209 43.308 42.059 0.066 0.000 1.247 340 L HN 0.510 nan 8.230 nan 0.000 0.416 341 I N 4.898 125.531 120.570 0.106 0.000 2.447 341 I HA 0.405 4.557 4.170 -0.029 0.000 0.287 341 I C -2.277 173.947 176.117 0.179 0.000 1.023 341 I CA -1.849 59.556 61.300 0.175 0.000 1.083 341 I CB 1.927 40.051 38.000 0.206 0.000 1.245 341 I HN 0.296 nan 8.210 nan 0.000 0.434 342 P HA 0.017 nan 4.420 nan 0.000 0.267 342 P C 0.733 178.085 177.300 0.087 0.000 1.200 342 P CA -0.067 63.060 63.100 0.045 0.000 0.772 342 P CB 0.763 32.488 31.700 0.042 0.000 0.855 343 E N 1.864 122.012 120.200 -0.087 0.000 2.097 343 E HA -0.280 4.052 4.350 -0.029 0.000 0.196 343 E C 0.861 177.534 176.600 0.120 0.000 1.000 343 E CA 1.544 57.885 56.400 -0.097 0.000 0.804 343 E CB -0.044 29.507 29.700 -0.248 0.000 0.740 343 E HN 0.418 nan 8.360 nan 0.000 0.454 344 E N 0.688 120.934 120.200 0.077 0.000 2.401 344 E HA -0.134 4.198 4.350 -0.029 0.000 0.199 344 E C 0.827 177.492 176.600 0.109 0.000 1.023 344 E CA 1.073 57.532 56.400 0.098 0.000 0.859 344 E CB -0.006 29.732 29.700 0.063 0.000 0.780 344 E HN 0.299 nan 8.360 nan 0.000 0.523 345 D N 0.265 120.736 120.400 0.118 0.000 2.328 345 D HA -0.026 4.596 4.640 -0.029 0.000 0.221 345 D C 1.271 177.627 176.300 0.094 0.000 1.072 345 D CA 0.106 54.161 54.000 0.092 0.000 0.850 345 D CB -0.014 40.853 40.800 0.112 0.000 0.922 345 D HN 0.303 nan 8.370 nan 0.000 0.516 346 E N -0.164 120.056 120.200 0.033 0.000 2.136 346 E HA -0.222 4.111 4.350 -0.029 0.000 0.202 346 E C 0.436 176.745 176.600 -0.484 0.000 1.019 346 E CA 1.207 57.411 56.400 -0.325 0.000 0.819 346 E CB -0.011 29.325 29.700 -0.605 0.000 0.739 346 E HN 0.289 nan 8.360 nan 0.000 0.458 347 F N -0.579 119.399 119.950 0.046 0.000 2.647 347 F HA 0.276 4.785 4.527 -0.029 0.000 0.300 347 F C 1.326 177.086 175.800 -0.067 0.000 1.106 347 F CA -0.235 57.765 58.000 -0.001 0.000 1.313 347 F CB 0.554 39.554 39.000 -0.001 0.000 1.007 347 F HN -0.189 nan 8.300 nan 0.000 0.536 348 K N 0.007 120.370 120.400 -0.060 0.000 2.487 348 K HA 0.114 4.417 4.320 -0.029 0.000 0.192 348 K C -0.276 175.940 176.600 -0.641 0.000 1.027 348 K CA 0.327 56.402 56.287 -0.354 0.000 1.054 348 K CB 0.170 32.403 32.500 -0.446 0.000 0.824 348 K HN 0.111 nan 8.250 nan 0.000 0.510 349 F N 0.315 120.104 119.950 -0.268 0.000 2.509 349 F HA 0.116 4.626 4.527 -0.027 0.000 0.334 349 F C 1.110 176.712 175.800 -0.330 0.000 1.060 349 F CA -1.440 56.302 58.000 -0.430 0.000 0.997 349 F CB 0.681 39.046 39.000 -1.058 0.000 1.271 349 F HN -0.034 nan 8.300 nan 0.000 0.488 350 D N -0.502 119.896 120.400 -0.003 0.000 2.319 350 D HA 0.058 4.680 4.640 -0.029 0.000 0.230 350 D C -0.365 176.034 176.300 0.167 0.000 1.094 350 D CA 0.130 54.182 54.000 0.087 0.000 0.856 350 D CB -0.876 40.001 40.800 0.128 0.000 0.915 350 D HN 0.251 nan 8.370 nan 0.000 0.517 351 F N -1.524 118.509 119.950 0.138 0.000 2.618 351 F HA 0.563 5.072 4.527 -0.030 0.000 0.332 351 F C -0.222 175.563 175.800 -0.024 0.000 1.061 351 F CA -1.750 56.252 58.000 0.003 0.000 0.974 351 F CB 0.875 39.828 39.000 -0.079 0.000 1.310 351 F HN -0.338 nan 8.300 nan 0.000 0.491 352 D N 1.539 121.966 120.400 0.046 0.000 2.249 352 D HA 0.220 4.843 4.640 -0.029 0.000 0.246 352 D C 1.000 177.244 176.300 -0.092 0.000 1.114 352 D CA -0.139 53.829 54.000 -0.055 0.000 0.854 352 D CB 1.495 42.287 40.800 -0.014 0.000 1.132 352 D HN 0.732 nan 8.370 nan 0.000 0.461 353 L N 3.425 124.520 121.223 -0.212 0.000 2.261 353 L HA -0.146 4.177 4.340 -0.029 0.000 0.216 353 L C 1.989 178.718 176.870 -0.236 0.000 1.114 353 L CA 0.731 55.412 54.840 -0.266 0.000 0.777 353 L CB -0.092 41.659 42.059 -0.513 0.000 0.910 353 L HN 0.476 nan 8.230 nan 0.000 0.440 354 L N -0.888 120.229 121.223 -0.176 0.000 2.591 354 L HA 0.044 4.366 4.340 -0.029 0.000 0.228 354 L C 0.465 177.297 176.870 -0.063 0.000 1.133 354 L CA -0.043 54.768 54.840 -0.048 0.000 0.880 354 L CB -0.201 41.939 42.059 0.136 0.000 1.033 354 L HN 0.117 nan 8.230 nan 0.000 0.450 355 D N 1.639 121.763 120.400 -0.460 0.000 2.396 355 D HA 0.124 4.747 4.640 -0.029 0.000 0.225 355 D C -1.623 174.435 176.300 -0.403 0.000 1.121 355 D CA -2.286 51.152 54.000 -0.936 0.000 0.853 355 D CB 1.571 41.548 40.800 -1.371 0.000 1.043 355 D HN -0.064 nan 8.370 nan 0.000 0.500 356 P HA -0.038 nan 4.420 nan 0.000 0.242 356 P C 0.839 178.030 177.300 -0.181 0.000 1.197 356 P CA 0.544 63.562 63.100 -0.137 0.000 0.765 356 P CB -0.057 31.648 31.700 0.007 0.000 0.936 357 T N -4.267 110.170 114.554 -0.195 0.000 3.107 357 T HA 0.145 4.477 4.350 -0.029 0.000 0.249 357 T C 0.722 175.316 174.700 -0.178 0.000 1.096 357 T CA -0.075 61.923 62.100 -0.170 0.000 1.012 357 T CB -0.220 68.594 68.868 -0.089 0.000 0.977 357 T HN -0.135 nan 8.240 nan 0.000 0.527 358 K N 2.118 122.316 120.400 -0.337 0.000 2.221 358 K HA 0.559 4.861 4.320 -0.029 0.000 0.258 358 K C -0.332 176.060 176.600 -0.346 0.000 0.944 358 K CA -0.873 55.074 56.287 -0.566 0.000 0.823 358 K CB 2.146 34.205 32.500 -0.735 0.000 1.113 358 K HN 0.288 nan 8.250 nan 0.000 0.431 359 L N -0.160 121.002 121.223 -0.103 0.000 2.387 359 L HA 0.638 4.960 4.340 -0.029 0.000 0.266 359 L C 0.029 176.728 176.870 -0.285 0.000 1.059 359 L CA -0.449 54.292 54.840 -0.165 0.000 0.801 359 L CB 0.258 42.290 42.059 -0.045 0.000 1.223 359 L HN 0.437 nan 8.230 nan 0.000 0.456 360 I N 1.475 121.965 120.570 -0.132 0.000 2.307 360 I HA 0.359 4.511 4.170 -0.029 0.000 0.289 360 I C -2.113 174.037 176.117 0.054 0.000 1.021 360 I CA -1.669 59.616 61.300 -0.026 0.000 1.224 360 I CB 1.063 39.070 38.000 0.011 0.000 1.376 360 I HN 0.442 nan 8.210 nan 0.000 0.470 361 P HA 0.039 nan 4.420 nan 0.000 0.264 361 P C 0.358 177.734 177.300 0.127 0.000 1.193 361 P CA 0.069 63.225 63.100 0.094 0.000 0.763 361 P CB 0.650 32.397 31.700 0.078 0.000 0.810 362 E N 1.834 122.112 120.200 0.129 0.000 2.150 362 E HA -0.201 4.132 4.350 -0.029 0.000 0.193 362 E C 1.429 178.087 176.600 0.097 0.000 0.985 362 E CA 0.817 57.282 56.400 0.108 0.000 0.814 362 E CB -0.018 29.746 29.700 0.107 0.000 0.752 362 E HN 0.494 nan 8.360 nan 0.000 0.466 363 E N 0.494 120.751 120.200 0.096 0.000 2.160 363 E HA -0.169 4.163 4.350 -0.029 0.000 0.195 363 E C 2.046 178.711 176.600 0.107 0.000 0.991 363 E CA 0.843 57.295 56.400 0.087 0.000 0.810 363 E CB -0.013 29.732 29.700 0.074 0.000 0.742 363 E HN 0.361 nan 8.360 nan 0.000 0.466 364 L N -0.600 120.712 121.223 0.148 0.000 2.168 364 L HA 0.037 4.360 4.340 -0.029 0.000 0.203 364 L C 0.603 177.597 176.870 0.207 0.000 1.078 364 L CA 0.411 55.373 54.840 0.203 0.000 0.780 364 L CB 0.377 42.631 42.059 0.326 0.000 0.939 364 L HN -0.204 nan 8.230 nan 0.000 0.451 365 V N 1.430 121.450 119.914 0.176 0.000 2.419 365 V HA 0.312 4.415 4.120 -0.029 0.000 0.287 365 V C -2.345 173.801 176.094 0.088 0.000 1.017 365 V CA -1.458 60.928 62.300 0.143 0.000 0.844 365 V CB 1.540 33.449 31.823 0.143 0.000 1.011 365 V HN -0.036 nan 8.190 nan 0.000 0.429 366 P HA 0.176 nan 4.420 nan 0.000 0.272 366 P C -0.347 176.952 177.300 -0.001 0.000 1.230 366 P CA -0.029 63.092 63.100 0.035 0.000 0.788 366 P CB 1.341 33.066 31.700 0.041 0.000 0.949 367 V N 3.061 122.942 119.914 -0.055 0.000 2.427 367 V HA 0.090 4.193 4.120 -0.029 0.000 0.268 367 V C 0.954 177.031 176.094 -0.027 0.000 1.046 367 V CA 0.002 62.232 62.300 -0.117 0.000 0.970 367 V CB 0.089 31.766 31.823 -0.244 0.000 1.001 367 V HN 0.553 nan 8.190 nan 0.000 0.476 368 Q N 5.778 125.580 119.800 0.004 0.000 2.295 368 Q HA 0.257 4.580 4.340 -0.029 0.000 0.259 368 Q C -0.031 175.947 176.000 -0.037 0.000 0.976 368 Q CA -0.558 55.248 55.803 0.005 0.000 0.923 368 Q CB 0.524 29.276 28.738 0.022 0.000 1.185 368 Q HN 0.638 nan 8.270 nan 0.000 0.410 369 R N 3.006 123.518 120.500 0.019 0.000 2.421 369 R HA 0.052 4.375 4.340 -0.029 0.000 0.305 369 R C 0.213 176.533 176.300 0.033 0.000 1.039 369 R CA -0.213 55.931 56.100 0.074 0.000 1.003 369 R CB 0.706 31.137 30.300 0.218 0.000 0.959 369 R HN 0.507 nan 8.270 nan 0.000 0.427 370 V N 1.656 121.446 119.914 -0.206 0.000 3.484 370 V HA 0.277 4.379 4.120 -0.029 0.000 0.252 370 V C 0.742 176.508 176.094 -0.546 0.000 1.282 370 V CA 1.019 63.094 62.300 -0.374 0.000 1.104 370 V CB 1.116 32.455 31.823 -0.806 0.000 0.868 370 V HN 1.029 nan 8.190 nan 0.000 0.457 371 G N -0.250 108.061 108.800 -0.816 0.000 2.441 371 G HA2 0.483 4.425 3.960 -0.029 0.000 0.294 371 G HA3 0.483 4.425 3.960 -0.029 0.000 0.294 371 G C -1.818 172.730 174.900 -0.587 0.000 1.393 371 G CA -0.538 43.945 45.100 -1.029 0.000 0.796 371 G HN 0.019 nan 8.290 nan 0.000 0.494 372 K N -0.418 119.751 120.400 -0.384 0.000 2.427 372 K HA 0.707 5.010 4.320 -0.029 0.000 0.252 372 K C -0.972 175.722 176.600 0.156 0.000 0.931 372 K CA -0.814 55.515 56.287 0.070 0.000 0.793 372 K CB 2.128 34.723 32.500 0.159 0.000 1.211 372 K HN 0.637 nan 8.250 nan 0.000 0.426 373 M N 4.578 124.378 119.600 0.332 0.000 2.383 373 M HA 0.430 4.893 4.480 -0.029 0.000 0.325 373 M C -1.747 174.535 176.300 -0.030 0.000 1.092 373 M CA -0.748 54.652 55.300 0.168 0.000 0.961 373 M CB 1.786 34.487 32.600 0.169 0.000 1.672 373 M HN 0.362 nan 8.290 nan 0.000 0.438 374 V N 5.483 125.210 119.914 -0.312 0.000 2.531 374 V HA 0.457 4.559 4.120 -0.029 0.000 0.301 374 V C -0.995 174.965 176.094 -0.224 0.000 1.034 374 V CA -0.841 61.297 62.300 -0.269 0.000 0.865 374 V CB 1.735 33.275 31.823 -0.471 0.000 0.995 374 V HN 0.674 nan 8.190 nan 0.000 0.424 375 L N 5.715 126.890 121.223 -0.079 0.000 2.257 375 L HA 0.513 4.835 4.340 -0.029 0.000 0.290 375 L C 0.682 177.419 176.870 -0.221 0.000 1.044 375 L CA 0.169 54.953 54.840 -0.093 0.000 0.810 375 L CB 1.032 43.093 42.059 0.003 0.000 1.193 375 L HN 0.887 nan 8.230 nan 0.000 0.425 376 N N 2.032 120.510 118.700 -0.370 0.000 2.143 376 N HA 0.136 4.859 4.740 -0.029 0.000 0.229 376 N C 0.051 175.302 175.510 -0.431 0.000 1.294 376 N CA -0.259 52.264 53.050 -0.878 0.000 0.883 376 N CB 0.779 38.493 38.487 -1.289 0.000 1.148 376 N HN 0.412 nan 8.380 nan 0.000 0.511 377 R N 0.378 120.767 120.500 -0.185 0.000 2.515 377 R HA 0.318 4.640 4.340 -0.029 0.000 0.278 377 R C -1.233 175.010 176.300 -0.095 0.000 1.107 377 R CA -0.561 55.465 56.100 -0.122 0.000 0.945 377 R CB 1.243 31.487 30.300 -0.093 0.000 1.219 377 R HN 0.045 nan 8.270 nan 0.000 0.434 378 N N 3.591 122.111 118.700 -0.301 0.000 2.444 378 N HA 0.222 4.944 4.740 -0.029 0.000 0.255 378 N C -2.223 173.224 175.510 -0.105 0.000 1.255 378 N CA -1.073 51.664 53.050 -0.520 0.000 0.933 378 N CB 0.480 38.013 38.487 -1.590 0.000 1.143 378 N HN 0.343 nan 8.380 nan 0.000 0.453 379 P HA 0.092 nan 4.420 nan 0.000 0.274 379 P C 0.001 177.492 177.300 0.318 0.000 1.260 379 P CA -0.097 63.204 63.100 0.334 0.000 0.793 379 P CB 1.087 33.025 31.700 0.397 0.000 1.048 380 D N -1.068 119.490 120.400 0.262 0.000 2.201 380 D HA -0.018 4.604 4.640 -0.029 0.000 0.209 380 D C 0.535 177.011 176.300 0.293 0.000 0.961 380 D CA 1.360 55.510 54.000 0.250 0.000 0.861 380 D CB 0.189 41.077 40.800 0.147 0.000 0.997 380 D HN 0.397 nan 8.370 nan 0.000 0.486 381 N N -0.280 118.585 118.700 0.275 0.000 2.410 381 N HA 0.011 4.733 4.740 -0.029 0.000 0.287 381 N C -0.027 175.692 175.510 0.348 0.000 1.044 381 N CA -0.348 52.876 53.050 0.289 0.000 0.881 381 N CB 1.655 40.280 38.487 0.230 0.000 1.405 381 N HN -0.152 nan 8.380 nan 0.000 0.490 382 F N 4.312 124.411 119.950 0.247 0.000 2.102 382 F HA -0.146 4.363 4.527 -0.030 0.000 0.298 382 F C 1.703 177.639 175.800 0.228 0.000 1.105 382 F CA 1.417 59.566 58.000 0.250 0.000 1.239 382 F CB -0.102 39.019 39.000 0.201 0.000 0.991 382 F HN 0.603 nan 8.300 nan 0.000 0.474 383 F N 0.914 121.100 119.950 0.394 0.000 2.069 383 F HA -0.182 4.329 4.527 -0.027 0.000 0.298 383 F C 2.319 178.184 175.800 0.107 0.000 1.113 383 F CA 1.877 60.027 58.000 0.250 0.000 1.214 383 F CB -0.932 38.189 39.000 0.201 0.000 0.978 383 F HN 0.008 nan 8.300 nan 0.000 0.474 384 A N -0.346 122.618 122.820 0.240 0.000 1.902 384 A HA -0.165 4.138 4.320 -0.029 0.000 0.217 384 A C 2.070 179.593 177.584 -0.101 0.000 1.181 384 A CA 2.027 54.115 52.037 0.084 0.000 0.623 384 A CB -0.674 18.422 19.000 0.159 0.000 0.818 384 A HN 0.597 nan 8.150 nan 0.000 0.443 385 E N -1.390 118.764 120.200 -0.077 0.000 2.132 385 E HA -0.056 4.277 4.350 -0.029 0.000 0.193 385 E C 1.973 178.489 176.600 -0.140 0.000 0.951 385 E CA 0.455 56.741 56.400 -0.189 0.000 0.843 385 E CB -0.128 29.488 29.700 -0.141 0.000 0.807 385 E HN 0.564 nan 8.360 nan 0.000 0.467 386 N N 1.335 119.953 118.700 -0.138 0.000 2.182 386 N HA -0.159 4.564 4.740 -0.029 0.000 0.186 386 N C 1.831 177.182 175.510 -0.265 0.000 1.036 386 N CA 1.307 54.228 53.050 -0.216 0.000 0.850 386 N CB 0.099 38.047 38.487 -0.899 0.000 1.010 386 N HN -0.067 nan 8.380 nan 0.000 0.432 387 E N 0.894 120.873 120.200 -0.368 0.000 2.110 387 E HA -0.100 4.233 4.350 -0.029 0.000 0.193 387 E C 1.680 178.097 176.600 -0.306 0.000 0.988 387 E CA 1.454 57.704 56.400 -0.251 0.000 0.804 387 E CB -0.169 29.400 29.700 -0.219 0.000 0.745 387 E HN 0.492 nan 8.360 nan 0.000 0.458 388 Q N -0.372 119.180 119.800 -0.413 0.000 2.451 388 Q HA 0.236 4.559 4.340 -0.029 0.000 0.206 388 Q C 0.055 175.933 176.000 -0.202 0.000 0.947 388 Q CA 0.224 55.829 55.803 -0.331 0.000 0.937 388 Q CB 0.409 28.929 28.738 -0.363 0.000 1.025 388 Q HN 0.215 nan 8.270 nan 0.000 0.511 389 A N 1.085 123.808 122.820 -0.161 0.000 2.462 389 A HA 0.465 4.768 4.320 -0.029 0.000 0.243 389 A C -0.151 177.316 177.584 -0.196 0.000 1.076 389 A CA 0.205 52.125 52.037 -0.195 0.000 0.773 389 A CB 0.279 19.219 19.000 -0.100 0.000 1.010 389 A HN 0.262 nan 8.150 nan 0.000 0.493 390 A N 2.207 124.840 122.820 -0.311 0.000 2.410 390 A HA 0.672 4.975 4.320 -0.029 0.000 0.289 390 A C -0.863 176.589 177.584 -0.221 0.000 1.200 390 A CA -0.397 51.528 52.037 -0.186 0.000 0.751 390 A CB 0.237 19.131 19.000 -0.177 0.000 1.161 390 A HN 0.624 nan 8.150 nan 0.000 0.459 391 F N 1.099 121.039 119.950 -0.017 0.000 2.450 391 F HA 0.636 5.140 4.527 -0.038 0.000 0.332 391 F C 0.351 176.098 175.800 -0.089 0.000 1.093 391 F CA -0.091 57.873 58.000 -0.060 0.000 1.003 391 F CB 1.903 40.816 39.000 -0.144 0.000 1.151 391 F HN 0.729 nan 8.300 nan 0.000 0.474 392 H N 3.741 122.661 119.070 -0.251 0.000 3.083 392 H HA 0.287 4.814 4.556 -0.048 0.000 0.339 392 H C -2.398 172.552 175.328 -0.630 0.000 1.020 392 H CA -1.850 53.806 56.048 -0.655 0.000 1.360 392 H CB 2.629 31.915 29.762 -0.795 0.000 1.811 392 H HN 0.187 nan 8.280 nan 0.000 0.493 393 P HA -0.031 nan 4.420 nan 0.000 0.228 393 P C 1.174 178.348 177.300 -0.210 0.000 1.151 393 P CA 1.316 64.100 63.100 -0.526 0.000 0.770 393 P CB 0.124 31.546 31.700 -0.462 0.000 0.786 394 G N -1.109 107.385 108.800 -0.511 0.000 2.598 394 G HA2 -0.150 3.792 3.960 -0.029 0.000 0.215 394 G HA3 -0.150 3.792 3.960 -0.029 0.000 0.215 394 G C 0.442 175.563 174.900 0.369 0.000 1.131 394 G CA 0.000 45.162 45.100 0.103 0.000 0.785 394 G HN 0.430 nan 8.290 nan 0.000 0.539 395 H N 0.733 119.929 119.070 0.209 0.000 3.118 395 H HA 0.349 4.892 4.556 -0.020 0.000 0.266 395 H C 0.560 175.991 175.328 0.171 0.000 1.465 395 H CA -0.772 55.362 56.048 0.144 0.000 1.460 395 H CB -0.013 29.798 29.762 0.083 0.000 1.661 395 H HN 0.373 nan 8.280 nan 0.000 0.516 396 I N -0.171 120.519 120.570 0.200 0.000 3.449 396 I HA 0.705 4.857 4.170 -0.029 0.000 0.294 396 I C -0.201 175.899 176.117 -0.028 0.000 1.163 396 I CA -1.404 59.930 61.300 0.057 0.000 1.010 396 I CB 1.865 39.780 38.000 -0.141 0.000 1.307 396 I HN 0.144 nan 8.210 nan 0.000 0.518 397 V N -2.679 117.208 119.914 -0.046 0.000 3.130 397 V HA 0.669 4.772 4.120 -0.029 0.000 0.310 397 V C -2.902 173.295 176.094 0.172 0.000 1.158 397 V CA -2.467 59.871 62.300 0.063 0.000 1.029 397 V CB 1.087 32.928 31.823 0.031 0.000 1.057 397 V HN 0.639 nan 8.190 nan 0.000 0.436 398 P HA 0.366 nan 4.420 nan 0.000 0.264 398 P C 0.936 178.223 177.300 -0.021 0.000 1.183 398 P CA 2.119 65.275 63.100 0.092 0.000 0.763 398 P CB 0.706 32.443 31.700 0.062 0.000 0.807 399 G N 1.537 110.276 108.800 -0.103 0.000 2.213 399 G HA2 -0.183 3.759 3.960 -0.029 0.000 0.236 399 G HA3 -0.183 3.759 3.960 -0.029 0.000 0.236 399 G C -0.234 174.570 174.900 -0.160 0.000 0.991 399 G CA -0.363 44.661 45.100 -0.126 0.000 0.629 399 G HN 0.451 nan 8.290 nan 0.000 0.517 400 L N 0.079 121.217 121.223 -0.142 0.000 2.354 400 L HA 0.892 5.215 4.340 -0.029 0.000 0.264 400 L C -0.645 176.157 176.870 -0.113 0.000 1.008 400 L CA -1.064 53.671 54.840 -0.175 0.000 0.819 400 L CB 2.151 44.027 42.059 -0.306 0.000 1.339 400 L HN 0.096 nan 8.230 nan 0.000 0.420 401 D N -0.321 120.006 120.400 -0.121 0.000 2.615 401 D HA 0.459 5.082 4.640 -0.029 0.000 0.267 401 D C -1.114 175.141 176.300 -0.075 0.000 1.236 401 D CA -0.360 53.542 54.000 -0.164 0.000 0.839 401 D CB 2.049 42.822 40.800 -0.045 0.000 1.380 401 D HN 0.110 nan 8.370 nan 0.000 0.433 402 F N -0.152 119.942 119.950 0.239 0.000 2.291 402 F HA 0.465 4.983 4.527 -0.014 0.000 0.305 402 F C 1.569 177.408 175.800 0.065 0.000 1.171 402 F CA -0.188 57.891 58.000 0.132 0.000 1.090 402 F CB 0.906 39.949 39.000 0.072 0.000 1.436 402 F HN 0.206 nan 8.300 nan 0.000 0.509 403 T N -3.294 111.365 114.554 0.174 0.000 2.742 403 T HA 0.290 4.623 4.350 -0.029 0.000 0.282 403 T C 0.075 174.811 174.700 0.059 0.000 1.025 403 T CA -0.983 61.197 62.100 0.134 0.000 1.020 403 T CB 1.078 69.993 68.868 0.080 0.000 1.317 403 T HN 0.335 nan 8.240 nan 0.000 0.538 404 N N 1.170 119.906 118.700 0.061 0.000 2.521 404 N HA 0.023 4.745 4.740 -0.029 0.000 0.188 404 N C 0.176 175.686 175.510 0.000 0.000 1.146 404 N CA 0.210 53.276 53.050 0.026 0.000 0.893 404 N CB -0.536 37.982 38.487 0.053 0.000 0.975 404 N HN 0.699 nan 8.380 nan 0.000 0.451 405 D N 2.213 122.600 120.400 -0.022 0.000 2.662 405 D HA -0.091 4.531 4.640 -0.029 0.000 0.237 405 D C -1.445 174.837 176.300 -0.030 0.000 1.154 405 D CA -0.847 53.159 54.000 0.010 0.000 0.861 405 D CB 1.179 41.932 40.800 -0.078 0.000 1.146 405 D HN 0.158 nan 8.370 nan 0.000 0.518 406 P HA -0.085 nan 4.420 nan 0.000 0.233 406 P C 1.524 178.827 177.300 0.005 0.000 1.167 406 P CA 0.093 63.191 63.100 -0.002 0.000 0.770 406 P CB 0.374 32.060 31.700 -0.023 0.000 0.837 407 L N -0.291 120.955 121.223 0.038 0.000 2.068 407 L HA -0.003 4.319 4.340 -0.029 0.000 0.204 407 L C 2.299 179.078 176.870 -0.151 0.000 1.076 407 L CA 1.300 56.157 54.840 0.028 0.000 0.753 407 L CB -1.519 40.642 42.059 0.170 0.000 0.910 407 L HN -0.160 nan 8.230 nan 0.000 0.439 408 L N -0.529 120.431 121.223 -0.439 0.000 2.046 408 L HA -0.209 4.113 4.340 -0.029 0.000 0.208 408 L C 2.443 179.062 176.870 -0.418 0.000 1.077 408 L CA 1.761 56.136 54.840 -0.775 0.000 0.747 408 L CB -1.013 40.342 42.059 -1.174 0.000 0.896 408 L HN 0.375 nan 8.230 nan 0.000 0.432 409 Q N -0.091 119.534 119.800 -0.293 0.000 2.077 409 Q HA -0.187 4.136 4.340 -0.029 0.000 0.206 409 Q C 2.087 178.004 176.000 -0.138 0.000 0.989 409 Q CA 1.942 57.617 55.803 -0.213 0.000 0.853 409 Q CB -0.852 27.809 28.738 -0.128 0.000 0.907 409 Q HN 0.706 nan 8.270 nan 0.000 0.418 410 G N 0.366 109.115 108.800 -0.085 0.000 2.408 410 G HA2 -0.194 3.748 3.960 -0.029 0.000 0.215 410 G HA3 -0.194 3.748 3.960 -0.029 0.000 0.215 410 G C 1.494 176.411 174.900 0.029 0.000 1.156 410 G CA 0.175 45.274 45.100 -0.003 0.000 0.793 410 G HN 0.239 nan 8.290 nan 0.000 0.535 411 R N -0.092 120.374 120.500 -0.056 0.000 2.133 411 R HA -0.065 4.257 4.340 -0.029 0.000 0.247 411 R C 2.500 178.867 176.300 0.113 0.000 1.151 411 R CA 1.129 57.245 56.100 0.027 0.000 0.971 411 R CB -0.514 29.754 30.300 -0.053 0.000 0.866 411 R HN 0.346 nan 8.270 nan 0.000 0.447 412 L N -0.605 120.590 121.223 -0.048 0.000 2.127 412 L HA -0.206 4.117 4.340 -0.029 0.000 0.211 412 L C 2.293 179.296 176.870 0.222 0.000 1.089 412 L CA 1.151 55.976 54.840 -0.025 0.000 0.757 412 L CB -0.409 41.499 42.059 -0.252 0.000 0.899 412 L HN 0.176 nan 8.230 nan 0.000 0.434 413 F N -0.199 119.783 119.950 0.054 0.000 2.187 413 F HA -0.150 4.360 4.527 -0.028 0.000 0.295 413 F C 2.745 178.590 175.800 0.075 0.000 1.091 413 F CA 1.441 59.469 58.000 0.048 0.000 1.308 413 F CB -0.199 38.807 39.000 0.010 0.000 1.030 413 F HN -0.079 nan 8.300 nan 0.000 0.487 414 S N -0.750 114.971 115.700 0.035 0.000 2.368 414 S HA -0.204 4.248 4.470 -0.029 0.000 0.224 414 S C 2.030 176.516 174.600 -0.190 0.000 1.029 414 S CA 1.504 59.615 58.200 -0.147 0.000 0.988 414 S CB -0.681 62.447 63.200 -0.119 0.000 0.838 414 S HN 0.546 nan 8.310 nan 0.000 0.462 415 Y N 1.265 121.571 120.300 0.011 0.000 2.263 415 Y HA -0.018 4.543 4.550 0.017 0.000 0.292 415 Y C 2.974 178.621 175.900 -0.423 0.000 1.130 415 Y CA 1.357 59.479 58.100 0.037 0.000 1.179 415 Y CB -0.709 38.459 38.460 1.180 0.000 0.998 415 Y HN 0.232 nan 8.280 nan 0.000 0.532 416 T N -0.369 113.841 114.554 -0.574 0.000 2.708 416 T HA -0.221 4.111 4.350 -0.029 0.000 0.266 416 T C 1.444 175.939 174.700 -0.340 0.000 1.037 416 T CA 1.826 63.643 62.100 -0.472 0.000 1.146 416 T CB -0.457 68.177 68.868 -0.390 0.000 0.865 416 T HN 0.353 nan 8.240 nan 0.000 0.435 417 D N 0.350 120.492 120.400 -0.431 0.000 2.097 417 D HA -0.110 4.513 4.640 -0.029 0.000 0.195 417 D C 2.297 178.440 176.300 -0.262 0.000 0.989 417 D CA 1.563 55.324 54.000 -0.399 0.000 0.827 417 D CB -0.480 39.899 40.800 -0.701 0.000 0.966 417 D HN 0.250 nan 8.370 nan 0.000 0.456 418 T N -1.036 113.360 114.554 -0.262 0.000 2.833 418 T HA -0.136 4.197 4.350 -0.029 0.000 0.269 418 T C 1.822 176.403 174.700 -0.199 0.000 1.054 418 T CA 1.341 63.325 62.100 -0.193 0.000 1.135 418 T CB -0.197 68.558 68.868 -0.187 0.000 0.869 418 T HN 0.222 nan 8.240 nan 0.000 0.466 419 Q N -0.101 119.518 119.800 -0.302 0.000 2.224 419 Q HA -0.013 4.309 4.340 -0.029 0.000 0.203 419 Q C 2.110 177.955 176.000 -0.258 0.000 0.970 419 Q CA 0.850 56.396 55.803 -0.429 0.000 0.865 419 Q CB -0.063 28.130 28.738 -0.908 0.000 0.922 419 Q HN 0.446 nan 8.270 nan 0.000 0.445 420 I N 0.405 120.896 120.570 -0.131 0.000 2.286 420 I HA -0.235 3.917 4.170 -0.029 0.000 0.248 420 I C 2.374 178.495 176.117 0.006 0.000 1.115 420 I CA 1.690 62.995 61.300 0.009 0.000 1.392 420 I CB -1.246 36.764 38.000 0.017 0.000 1.065 420 I HN 0.219 nan 8.210 nan 0.000 0.418 421 S N 0.104 115.787 115.700 -0.027 0.000 2.441 421 S HA -0.060 4.393 4.470 -0.029 0.000 0.224 421 S C 2.154 176.746 174.600 -0.014 0.000 1.043 421 S CA 0.130 58.324 58.200 -0.009 0.000 0.948 421 S CB -0.329 62.867 63.200 -0.006 0.000 0.810 421 S HN 0.326 nan 8.310 nan 0.000 0.504 422 R N 0.997 121.470 120.500 -0.045 0.000 2.081 422 R HA 0.145 4.468 4.340 -0.029 0.000 0.235 422 R C 1.357 177.640 176.300 -0.029 0.000 1.131 422 R CA 1.428 57.505 56.100 -0.039 0.000 0.960 422 R CB -0.250 30.008 30.300 -0.070 0.000 0.856 422 R HN 0.461 nan 8.270 nan 0.000 0.436 423 L N -0.734 120.464 121.223 -0.041 0.000 2.857 423 L HA 0.340 4.663 4.340 -0.029 0.000 0.249 423 L C 0.765 177.660 176.870 0.042 0.000 1.172 423 L CA 0.276 55.111 54.840 -0.007 0.000 0.980 423 L CB 1.152 43.203 42.059 -0.013 0.000 1.299 423 L HN 0.569 nan 8.230 nan 0.000 0.535 424 G N -0.024 108.800 108.800 0.040 0.000 2.143 424 G HA2 -0.091 3.852 3.960 -0.029 0.000 0.249 424 G HA3 -0.091 3.852 3.960 -0.029 0.000 0.249 424 G C 0.443 175.386 174.900 0.072 0.000 0.981 424 G CA 0.029 45.157 45.100 0.046 0.000 0.665 424 G HN 0.794 nan 8.290 nan 0.000 0.528 425 G N -1.506 107.361 108.800 0.112 0.000 2.350 425 G HA2 0.571 4.514 3.960 -0.029 0.000 0.282 425 G HA3 0.571 4.514 3.960 -0.029 0.000 0.282 425 G C -2.185 172.840 174.900 0.209 0.000 1.314 425 G CA 0.396 45.571 45.100 0.126 0.000 0.915 425 G HN 0.531 nan 8.290 nan 0.000 0.499 426 P HA 0.158 nan 4.420 nan 0.000 0.255 426 P C 0.206 177.460 177.300 -0.077 0.000 1.248 426 P CA 0.312 63.473 63.100 0.102 0.000 0.807 426 P CB 0.218 31.957 31.700 0.065 0.000 1.150 427 N N 0.521 119.189 118.700 -0.054 0.000 2.378 427 N HA 0.071 4.794 4.740 -0.029 0.000 0.243 427 N C 0.992 176.300 175.510 -0.337 0.000 1.137 427 N CA -0.190 52.725 53.050 -0.225 0.000 0.862 427 N CB -0.560 37.845 38.487 -0.136 0.000 1.116 427 N HN 0.248 nan 8.380 nan 0.000 0.499 428 F N 0.761 120.697 119.950 -0.024 0.000 2.333 428 F HA -0.079 4.440 4.527 -0.013 0.000 0.300 428 F C 2.234 177.976 175.800 -0.097 0.000 1.083 428 F CA 0.754 58.714 58.000 -0.066 0.000 1.395 428 F CB -0.820 38.159 39.000 -0.036 0.000 1.056 428 F HN 0.178 nan 8.300 nan 0.000 0.529 429 H N 0.418 119.157 119.070 -0.551 0.000 2.546 429 H HA 0.064 4.601 4.556 -0.032 0.000 0.277 429 H C 0.877 176.076 175.328 -0.215 0.000 1.004 429 H CA 1.319 57.154 56.048 -0.354 0.000 1.231 429 H CB -0.758 28.659 29.762 -0.575 0.000 1.382 429 H HN 0.522 nan 8.280 nan 0.000 0.580 430 E N 0.994 120.790 120.200 -0.673 0.000 2.442 430 E HA 0.163 4.496 4.350 -0.029 0.000 0.195 430 E C 0.374 176.877 176.600 -0.162 0.000 1.030 430 E CA -0.269 55.908 56.400 -0.372 0.000 0.869 430 E CB 0.462 29.942 29.700 -0.367 0.000 0.857 430 E HN 0.424 nan 8.360 nan 0.000 0.505 431 I N 2.821 123.314 120.570 -0.128 0.000 2.668 431 I HA -0.069 4.084 4.170 -0.029 0.000 0.285 431 I C -1.581 174.489 176.117 -0.078 0.000 1.168 431 I CA -1.253 60.000 61.300 -0.078 0.000 1.424 431 I CB 0.453 38.417 38.000 -0.060 0.000 1.377 431 I HN -0.187 nan 8.210 nan 0.000 0.560 432 P HA -0.252 nan 4.420 nan 0.000 0.215 432 P C 1.752 178.989 177.300 -0.105 0.000 1.163 432 P CA 1.289 64.341 63.100 -0.079 0.000 0.894 432 P CB 0.159 31.818 31.700 -0.069 0.000 0.791 433 I N -0.729 119.751 120.570 -0.150 0.000 2.423 433 I HA -0.196 3.956 4.170 -0.029 0.000 0.254 433 I C 1.316 177.371 176.117 -0.103 0.000 1.151 433 I CA 1.702 62.866 61.300 -0.227 0.000 1.421 433 I CB -0.739 37.019 38.000 -0.404 0.000 1.079 433 I HN -0.094 nan 8.210 nan 0.000 0.431 434 N N 0.556 119.212 118.700 -0.074 0.000 2.422 434 N HA 0.038 4.761 4.740 -0.029 0.000 0.181 434 N C 0.317 175.850 175.510 0.038 0.000 1.080 434 N CA 0.205 53.240 53.050 -0.024 0.000 0.893 434 N CB -0.073 38.420 38.487 0.011 0.000 0.973 434 N HN 0.376 nan 8.380 nan 0.000 0.456 435 R N 1.526 122.048 120.500 0.037 0.000 2.537 435 R HA 0.173 4.496 4.340 -0.029 0.000 0.280 435 R C -2.234 174.144 176.300 0.130 0.000 1.058 435 R CA -1.215 54.911 56.100 0.044 0.000 1.057 435 R CB -0.048 30.258 30.300 0.010 0.000 0.973 435 R HN 0.021 nan 8.270 nan 0.000 0.438 436 P HA 0.007 nan 4.420 nan 0.000 0.272 436 P C 0.498 177.876 177.300 0.130 0.000 1.223 436 P CA -0.081 63.109 63.100 0.150 0.000 0.784 436 P CB 0.722 32.468 31.700 0.077 0.000 0.923 437 T N -2.542 112.097 114.554 0.141 0.000 3.067 437 T HA 0.035 4.368 4.350 -0.029 0.000 0.257 437 T C 0.935 175.677 174.700 0.069 0.000 1.105 437 T CA 0.091 62.225 62.100 0.058 0.000 1.104 437 T CB -0.981 67.902 68.868 0.024 0.000 0.925 437 T HN 0.595 nan 8.240 nan 0.000 0.498 438 C N 1.484 120.842 119.300 0.097 0.000 2.362 438 C HA 0.757 5.199 4.460 -0.029 0.000 0.363 438 C C -2.475 172.573 174.990 0.097 0.000 1.220 438 C CA -2.637 56.437 59.018 0.093 0.000 2.379 438 C CB 0.229 28.031 27.740 0.103 0.000 2.351 438 C HN 0.169 nan 8.230 nan 0.000 0.582 439 P HA 0.238 nan 4.420 nan 0.000 0.266 439 P C -1.182 176.183 177.300 0.108 0.000 1.195 439 P CA 0.569 63.738 63.100 0.114 0.000 0.768 439 P CB -0.092 31.726 31.700 0.197 0.000 0.838 440 Y N 1.034 121.202 120.300 -0.220 0.000 2.386 440 Y HA 0.652 5.188 4.550 -0.024 0.000 0.334 440 Y C -1.388 174.131 175.900 -0.634 0.000 1.002 440 Y CA -0.966 56.977 58.100 -0.262 0.000 1.068 440 Y CB 1.483 39.837 38.460 -0.177 0.000 1.203 440 Y HN 0.432 nan 8.280 nan 0.000 0.443 441 H N 4.080 123.078 119.070 -0.120 0.000 2.966 441 H HA 0.507 5.046 4.556 -0.028 0.000 0.347 441 H C -1.196 174.034 175.328 -0.163 0.000 1.048 441 H CA -0.762 55.136 56.048 -0.249 0.000 1.295 441 H CB 1.504 31.139 29.762 -0.211 0.000 1.744 441 H HN 0.894 nan 8.280 nan 0.000 0.513 442 N N 0.564 119.172 118.700 -0.154 0.000 3.449 442 N HA 0.198 4.921 4.740 -0.029 0.000 0.312 442 N C -1.198 174.096 175.510 -0.360 0.000 1.557 442 N CA -0.938 51.961 53.050 -0.252 0.000 0.864 442 N CB 0.729 39.219 38.487 0.005 0.000 1.799 442 N HN 0.286 nan 8.380 nan 0.000 0.554 443 F N -0.382 119.616 119.950 0.079 0.000 2.639 443 F HA 0.368 4.877 4.527 -0.031 0.000 0.302 443 F C 0.427 176.272 175.800 0.074 0.000 1.097 443 F CA -0.356 57.683 58.000 0.065 0.000 1.294 443 F CB 0.317 39.348 39.000 0.052 0.000 1.027 443 F HN 0.135 nan 8.300 nan 0.000 0.550 444 Q N 1.435 121.338 119.800 0.171 0.000 2.340 444 Q HA 0.469 4.792 4.340 -0.029 0.000 0.249 444 Q C 0.007 176.082 176.000 0.125 0.000 0.957 444 Q CA -0.213 55.672 55.803 0.137 0.000 0.882 444 Q CB 1.199 29.991 28.738 0.089 0.000 1.235 444 Q HN 0.090 nan 8.270 nan 0.000 0.439 445 R N 1.489 122.054 120.500 0.109 0.000 2.799 445 R HA 0.346 4.669 4.340 -0.029 0.000 0.270 445 R C -0.673 175.672 176.300 0.074 0.000 1.010 445 R CA -0.620 55.535 56.100 0.093 0.000 0.916 445 R CB 1.148 31.505 30.300 0.096 0.000 1.228 445 R HN 0.727 nan 8.270 nan 0.000 0.469 446 D N -0.107 120.329 120.400 0.060 0.000 3.369 446 D HA -0.183 4.439 4.640 -0.029 0.000 0.217 446 D C 0.357 176.685 176.300 0.047 0.000 1.532 446 D CA 1.969 55.997 54.000 0.046 0.000 1.126 446 D CB -1.109 39.717 40.800 0.044 0.000 0.683 446 D HN 0.913 nan 8.370 nan 0.000 0.827 447 G N -1.108 107.719 108.800 0.045 0.000 2.705 447 G HA2 0.184 4.127 3.960 -0.029 0.000 0.686 447 G HA3 0.184 4.127 3.960 -0.029 0.000 0.686 447 G C -0.212 174.718 174.900 0.050 0.000 1.285 447 G CA 0.097 45.226 45.100 0.048 0.000 0.800 447 G HN 0.819 nan 8.290 nan 0.000 0.611 448 M N 1.255 120.891 119.600 0.061 0.000 2.250 448 M HA 0.429 4.892 4.480 -0.029 0.000 0.337 448 M C 1.111 177.487 176.300 0.127 0.000 1.161 448 M CA 1.324 56.671 55.300 0.079 0.000 1.088 448 M CB -0.511 32.136 32.600 0.079 0.000 1.639 448 M HN 1.561 nan 8.290 nan 0.000 0.447 449 H N 0.881 119.952 119.070 0.002 0.000 2.604 449 H HA -0.187 4.352 4.556 -0.028 0.000 0.321 449 H C -0.728 174.587 175.328 -0.022 0.000 1.132 449 H CA 0.790 56.834 56.048 -0.006 0.000 1.129 449 H CB -0.680 29.081 29.762 -0.001 0.000 1.526 449 H HN 0.617 nan 8.280 nan 0.000 0.415 450 R N 1.481 121.987 120.500 0.010 0.000 2.351 450 R HA 0.060 4.383 4.340 -0.029 0.000 0.318 450 R C 0.950 177.228 176.300 -0.037 0.000 1.055 450 R CA -0.005 56.094 56.100 -0.003 0.000 0.968 450 R CB 0.250 30.551 30.300 0.001 0.000 0.974 450 R HN 0.380 nan 8.270 nan 0.000 0.439 451 M N 2.608 122.199 119.600 -0.016 0.000 2.299 451 M HA 0.194 4.657 4.480 -0.029 0.000 0.264 451 M C 0.986 177.272 176.300 -0.023 0.000 1.095 451 M CA 1.088 56.374 55.300 -0.022 0.000 1.165 451 M CB -0.912 31.688 32.600 0.000 0.000 1.349 451 M HN 0.695 nan 8.290 nan 0.000 0.446 452 G N 1.835 110.628 108.800 -0.011 0.000 2.365 452 G HA2 0.387 4.329 3.960 -0.029 0.000 0.249 452 G HA3 0.387 4.329 3.960 -0.029 0.000 0.249 452 G C -0.368 174.521 174.900 -0.018 0.000 1.288 452 G CA -0.384 44.707 45.100 -0.016 0.000 0.887 452 G HN 0.319 nan 8.290 nan 0.000 0.524 453 I N 2.850 123.404 120.570 -0.027 0.000 2.306 453 I HA 0.103 4.256 4.170 -0.029 0.000 0.288 453 I C -0.229 175.876 176.117 -0.019 0.000 1.036 453 I CA -0.507 60.782 61.300 -0.019 0.000 1.221 453 I CB 0.945 38.933 38.000 -0.020 0.000 1.385 453 I HN 0.359 nan 8.210 nan 0.000 0.472 454 D N 4.792 125.188 120.400 -0.008 0.000 2.351 454 D HA 0.084 4.707 4.640 -0.029 0.000 0.251 454 D C 1.106 177.409 176.300 0.004 0.000 1.137 454 D CA 0.235 54.231 54.000 -0.007 0.000 0.879 454 D CB 1.858 42.664 40.800 0.011 0.000 1.181 454 D HN 0.566 nan 8.370 nan 0.000 0.448 455 T N -0.963 113.590 114.554 -0.002 0.000 3.054 455 T HA -0.042 4.291 4.350 -0.029 0.000 0.255 455 T C 0.801 175.512 174.700 0.017 0.000 1.035 455 T CA -0.563 61.540 62.100 0.005 0.000 0.941 455 T CB 0.168 69.031 68.868 -0.007 0.000 1.026 455 T HN 0.114 nan 8.240 nan 0.000 0.533 456 N N 3.348 122.063 118.700 0.024 0.000 2.411 456 N HA 0.099 4.822 4.740 -0.029 0.000 0.265 456 N C -1.674 173.880 175.510 0.073 0.000 1.266 456 N CA -1.518 51.562 53.050 0.049 0.000 0.889 456 N CB 1.388 39.910 38.487 0.058 0.000 1.069 456 N HN 0.045 nan 8.380 nan 0.000 0.476 457 P HA -0.069 nan 4.420 nan 0.000 0.218 457 P C -0.627 176.738 177.300 0.107 0.000 1.146 457 P CA 1.109 64.256 63.100 0.079 0.000 0.813 457 P CB 0.218 31.959 31.700 0.069 0.000 0.778 458 A N 0.301 123.177 122.820 0.092 0.000 2.324 458 A HA 0.420 4.722 4.320 -0.029 0.000 0.330 458 A C 0.391 178.083 177.584 0.179 0.000 1.165 458 A CA -0.659 51.387 52.037 0.016 0.000 0.813 458 A CB 0.174 18.991 19.000 -0.305 0.000 1.197 458 A HN 0.258 nan 8.150 nan 0.000 0.484 459 N N 0.227 119.067 118.700 0.233 0.000 2.338 459 N HA 0.368 5.091 4.740 -0.029 0.000 0.251 459 N C -0.841 174.829 175.510 0.267 0.000 1.199 459 N CA -0.363 52.897 53.050 0.350 0.000 0.879 459 N CB 0.283 38.931 38.487 0.269 0.000 1.159 459 N HN 0.685 nan 8.380 nan 0.000 0.514 460 Y N -1.199 118.961 120.300 -0.234 0.000 2.609 460 Y HA 0.658 5.190 4.550 -0.030 0.000 0.336 460 Y C -1.529 173.769 175.900 -1.002 0.000 1.129 460 Y CA -1.372 56.441 58.100 -0.479 0.000 1.040 460 Y CB 1.010 39.344 38.460 -0.211 0.000 1.310 460 Y HN 0.086 nan 8.280 nan 0.000 0.460 461 E N 1.048 120.767 120.200 -0.802 0.000 2.383 461 E HA 0.647 4.980 4.350 -0.029 0.000 0.275 461 E C -3.165 173.322 176.600 -0.189 0.000 0.918 461 E CA -2.059 53.965 56.400 -0.628 0.000 0.764 461 E CB 1.663 30.930 29.700 -0.720 0.000 1.252 461 E HN 0.579 nan 8.360 nan 0.000 0.449 462 P HA 0.261 nan 4.420 nan 0.000 0.275 462 P C -1.268 175.970 177.300 -0.103 0.000 1.227 462 P CA -0.411 62.612 63.100 -0.127 0.000 0.781 462 P CB 0.492 32.156 31.700 -0.060 0.000 0.906 463 N N -1.178 117.385 118.700 -0.229 0.000 2.229 463 N HA 0.318 5.040 4.740 -0.029 0.000 0.298 463 N C 0.337 175.791 175.510 -0.093 0.000 1.114 463 N CA -0.759 52.161 53.050 -0.216 0.000 0.776 463 N CB 1.504 39.554 38.487 -0.730 0.000 1.501 463 N HN 0.195 nan 8.380 nan 0.000 0.474 464 S N 0.836 116.533 115.700 -0.005 0.000 2.492 464 S HA -0.013 4.440 4.470 -0.029 0.000 0.218 464 S C 1.518 176.131 174.600 0.021 0.000 1.016 464 S CA 0.102 58.305 58.200 0.005 0.000 0.916 464 S CB -0.808 62.407 63.200 0.025 0.000 0.791 464 S HN 0.714 nan 8.310 nan 0.000 0.513 465 I N -0.863 119.725 120.570 0.031 0.000 2.928 465 I HA 0.268 4.421 4.170 -0.029 0.000 0.266 465 I C 1.205 177.354 176.117 0.052 0.000 1.234 465 I CA 1.046 62.378 61.300 0.053 0.000 1.483 465 I CB -0.357 37.696 38.000 0.089 0.000 1.097 465 I HN 0.165 nan 8.210 nan 0.000 0.455 466 N N 1.282 120.009 118.700 0.046 0.000 2.416 466 N HA 0.049 4.772 4.740 -0.029 0.000 0.267 466 N C -0.086 175.537 175.510 0.188 0.000 1.294 466 N CA -0.085 53.033 53.050 0.115 0.000 0.891 466 N CB -0.080 38.488 38.487 0.135 0.000 1.238 466 N HN 0.175 nan 8.380 nan 0.000 0.508 467 D N 0.764 121.228 120.400 0.106 0.000 2.792 467 D HA -0.266 4.357 4.640 -0.029 0.000 0.231 467 D C -0.024 176.190 176.300 -0.143 0.000 1.160 467 D CA 1.193 55.226 54.000 0.054 0.000 0.697 467 D CB -1.210 39.701 40.800 0.185 0.000 1.070 467 D HN 0.528 nan 8.370 nan 0.000 0.426 468 N N -1.931 116.705 118.700 -0.106 0.000 2.878 468 N HA -0.239 4.484 4.740 -0.029 0.000 0.247 468 N C -0.797 174.649 175.510 -0.106 0.000 1.021 468 N CA 1.383 54.331 53.050 -0.170 0.000 0.873 468 N CB -1.332 37.006 38.487 -0.250 0.000 1.128 468 N HN 0.518 nan 8.380 nan 0.000 0.571 469 W N 1.314 122.671 121.300 0.096 0.000 2.375 469 W HA 0.461 5.103 4.660 -0.030 0.000 0.336 469 W C -1.631 174.951 176.519 0.105 0.000 1.160 469 W CA -1.622 55.770 57.345 0.079 0.000 1.266 469 W CB 0.464 29.916 29.460 -0.013 0.000 1.195 469 W HN -0.057 nan 8.180 nan 0.000 0.599 470 P HA 0.117 nan 4.420 nan 0.000 0.271 470 P C -0.674 176.766 177.300 0.234 0.000 1.218 470 P CA 0.074 63.307 63.100 0.222 0.000 0.780 470 P CB 0.899 32.571 31.700 -0.048 0.000 0.901 471 R N 1.415 122.032 120.500 0.195 0.000 2.604 471 R HA 0.308 4.631 4.340 -0.029 0.000 0.287 471 R C 0.364 176.695 176.300 0.051 0.000 0.970 471 R CA -0.853 55.231 56.100 -0.027 0.000 0.946 471 R CB 1.176 31.232 30.300 -0.406 0.000 1.127 471 R HN 0.501 nan 8.270 nan 0.000 0.473 472 E N 0.796 121.018 120.200 0.036 0.000 2.459 472 E HA -0.016 4.317 4.350 -0.029 0.000 0.264 472 E C -0.522 176.100 176.600 0.036 0.000 1.055 472 E CA 0.831 57.262 56.400 0.051 0.000 0.957 472 E CB 0.589 30.307 29.700 0.031 0.000 0.952 472 E HN 0.351 nan 8.360 nan 0.000 0.448 473 T N 3.768 118.356 114.554 0.057 0.000 2.841 473 T HA 0.337 4.670 4.350 -0.029 0.000 0.285 473 T C -2.425 172.300 174.700 0.041 0.000 0.991 473 T CA -1.517 60.614 62.100 0.053 0.000 0.966 473 T CB 1.512 70.425 68.868 0.073 0.000 0.962 473 T HN 0.232 nan 8.240 nan 0.000 0.438 474 P HA 0.205 nan 4.420 nan 0.000 0.269 474 P C -2.358 174.949 177.300 0.011 0.000 1.209 474 P CA -1.118 61.990 63.100 0.014 0.000 0.776 474 P CB -0.202 31.501 31.700 0.006 0.000 0.876 475 P HA 0.211 nan 4.420 nan 0.000 0.269 475 P C -0.089 177.198 177.300 -0.020 0.000 1.215 475 P CA 0.379 63.465 63.100 -0.025 0.000 0.780 475 P CB 0.746 32.410 31.700 -0.060 0.000 0.898 476 G N 1.221 110.007 108.800 -0.022 0.000 2.550 476 G HA2 0.409 4.351 3.960 -0.029 0.000 0.293 476 G HA3 0.409 4.351 3.960 -0.029 0.000 0.293 476 G C -2.525 172.363 174.900 -0.019 0.000 1.402 476 G CA -0.781 44.310 45.100 -0.015 0.000 0.784 476 G HN 0.110 nan 8.290 nan 0.000 0.482 477 P HA 0.039 nan 4.420 nan 0.000 0.218 477 P C 0.298 177.594 177.300 -0.007 0.000 1.149 477 P CA 1.271 64.362 63.100 -0.015 0.000 0.817 477 P CB 0.319 32.014 31.700 -0.009 0.000 0.785 478 K N -1.425 118.978 120.400 0.005 0.000 2.542 478 K HA 0.317 4.620 4.320 -0.029 0.000 0.259 478 K C -0.451 176.166 176.600 0.028 0.000 0.932 478 K CA -0.716 55.582 56.287 0.018 0.000 0.820 478 K CB 1.202 33.713 32.500 0.019 0.000 1.345 478 K HN -0.390 nan 8.250 nan 0.000 0.432 479 R N 0.060 120.584 120.500 0.041 0.000 3.641 479 R HA -0.137 4.185 4.340 -0.029 0.000 0.286 479 R C -0.239 176.092 176.300 0.052 0.000 1.153 479 R CA 1.085 57.217 56.100 0.053 0.000 0.775 479 R CB -2.322 28.008 30.300 0.051 0.000 1.215 479 R HN 0.860 nan 8.270 nan 0.000 0.474 480 G N -0.966 107.860 108.800 0.043 0.000 2.462 480 G HA2 0.628 4.571 3.960 -0.029 0.000 0.319 480 G HA3 0.628 4.571 3.960 -0.029 0.000 0.319 480 G C 0.360 175.294 174.900 0.056 0.000 1.171 480 G CA 0.076 45.198 45.100 0.037 0.000 0.920 480 G HN 0.266 nan 8.290 nan 0.000 0.499 481 G N -1.087 107.748 108.800 0.059 0.000 2.569 481 G HA2 0.406 4.348 3.960 -0.029 0.000 0.249 481 G HA3 0.406 4.348 3.960 -0.029 0.000 0.249 481 G C -0.637 174.323 174.900 0.099 0.000 1.216 481 G CA -0.572 44.586 45.100 0.096 0.000 0.845 481 G HN 0.469 nan 8.290 nan 0.000 0.568 482 F N 0.442 120.408 119.950 0.026 0.000 2.504 482 F HA 0.354 4.867 4.527 -0.023 0.000 0.369 482 F C 0.598 176.413 175.800 0.024 0.000 1.082 482 F CA -0.129 57.882 58.000 0.018 0.000 1.216 482 F CB 0.788 39.801 39.000 0.021 0.000 1.108 482 F HN 0.439 nan 8.300 nan 0.000 0.554 483 E N 4.142 124.024 120.200 -0.530 0.000 2.234 483 E HA 0.318 4.650 4.350 -0.029 0.000 0.266 483 E C -1.057 175.237 176.600 -0.510 0.000 0.877 483 E CA -0.789 55.432 56.400 -0.298 0.000 0.758 483 E CB 1.533 31.133 29.700 -0.167 0.000 1.170 483 E HN 0.609 nan 8.360 nan 0.000 0.415 484 S N 2.445 118.072 115.700 -0.122 0.000 2.576 484 S HA 0.020 4.472 4.470 -0.029 0.000 0.276 484 S C -0.621 173.964 174.600 -0.025 0.000 1.339 484 S CA -0.365 57.832 58.200 -0.004 0.000 1.039 484 S CB 0.185 63.507 63.200 0.203 0.000 0.902 484 S HN 0.468 nan 8.310 nan 0.000 0.516 485 Y N 2.439 122.677 120.300 -0.104 0.000 2.526 485 Y HA 0.027 4.559 4.550 -0.031 0.000 0.330 485 Y C 0.792 176.673 175.900 -0.032 0.000 1.156 485 Y CA 0.008 58.055 58.100 -0.088 0.000 1.419 485 Y CB 0.181 38.586 38.460 -0.092 0.000 1.250 485 Y HN 0.579 nan 8.280 nan 0.000 0.540 486 Q N 5.328 124.743 119.800 -0.642 0.000 3.247 486 Q HA 0.026 4.349 4.340 -0.029 0.000 0.326 486 Q C -0.207 175.496 176.000 -0.495 0.000 1.402 486 Q CA -0.089 55.464 55.803 -0.416 0.000 0.994 486 Q CB -0.160 28.404 28.738 -0.290 0.000 1.647 486 Q HN 0.669 nan 8.270 nan 0.000 0.523 487 E N 1.492 121.463 120.200 -0.382 0.000 2.452 487 E HA -0.046 4.287 4.350 -0.029 0.000 0.261 487 E C -0.220 176.335 176.600 -0.074 0.000 0.987 487 E CA -0.290 56.015 56.400 -0.158 0.000 0.926 487 E CB 0.623 30.373 29.700 0.083 0.000 0.934 487 E HN 0.128 nan 8.360 nan 0.000 0.452 488 R N 3.118 123.599 120.500 -0.030 0.000 2.347 488 R HA 0.207 4.529 4.340 -0.029 0.000 0.304 488 R C -1.446 174.872 176.300 0.030 0.000 1.072 488 R CA -0.220 55.878 56.100 -0.004 0.000 0.980 488 R CB 0.816 31.122 30.300 0.010 0.000 0.986 488 R HN 0.279 nan 8.270 nan 0.000 0.448 489 V N 5.076 125.002 119.914 0.020 0.000 2.448 489 V HA 0.418 4.521 4.120 -0.029 0.000 0.295 489 V C -0.417 175.688 176.094 0.019 0.000 1.025 489 V CA -0.580 61.737 62.300 0.028 0.000 0.859 489 V CB 1.644 33.481 31.823 0.023 0.000 0.988 489 V HN 0.797 nan 8.190 nan 0.000 0.431 490 E N 3.175 123.389 120.200 0.022 0.000 2.302 490 E HA 0.662 4.994 4.350 -0.029 0.000 0.263 490 E C -0.091 176.514 176.600 0.009 0.000 0.897 490 E CA -0.348 56.059 56.400 0.013 0.000 0.809 490 E CB 2.308 32.016 29.700 0.014 0.000 1.270 490 E HN 0.967 nan 8.360 nan 0.000 0.410 491 G N 2.535 111.335 108.800 0.001 0.000 2.313 491 G HA2 0.130 4.072 3.960 -0.029 0.000 0.296 491 G HA3 0.130 4.072 3.960 -0.029 0.000 0.296 491 G C -1.466 173.428 174.900 -0.010 0.000 1.356 491 G CA -1.027 44.069 45.100 -0.006 0.000 0.833 491 G HN 0.342 nan 8.290 nan 0.000 0.552 492 N N 0.097 118.787 118.700 -0.016 0.000 2.489 492 N HA 0.447 5.169 4.740 -0.029 0.000 0.284 492 N C -0.301 175.196 175.510 -0.023 0.000 1.158 492 N CA -0.615 52.424 53.050 -0.018 0.000 0.965 492 N CB 1.126 39.602 38.487 -0.019 0.000 1.195 492 N HN 0.428 nan 8.380 nan 0.000 0.506 493 K N 1.102 121.488 120.400 -0.023 0.000 2.351 493 K HA 0.155 4.457 4.320 -0.029 0.000 0.287 493 K C -0.686 175.893 176.600 -0.036 0.000 1.068 493 K CA -0.089 56.181 56.287 -0.029 0.000 0.998 493 K CB -0.376 32.108 32.500 -0.027 0.000 0.968 493 K HN 0.370 nan 8.250 nan 0.000 0.464 494 V N 0.318 120.205 119.914 -0.045 0.000 2.925 494 V HA 0.487 4.590 4.120 -0.029 0.000 0.311 494 V C -0.583 175.470 176.094 -0.067 0.000 1.104 494 V CA -1.352 60.917 62.300 -0.051 0.000 0.954 494 V CB 2.061 33.855 31.823 -0.048 0.000 1.022 494 V HN 0.600 nan 8.190 nan 0.000 0.427 495 R N 2.368 122.823 120.500 -0.074 0.000 2.346 495 R HA 0.637 4.959 4.340 -0.029 0.000 0.309 495 R C -0.573 175.677 176.300 -0.084 0.000 1.119 495 R CA -0.185 55.858 56.100 -0.095 0.000 1.112 495 R CB 0.958 31.188 30.300 -0.116 0.000 1.132 495 R HN 0.950 nan 8.270 nan 0.000 0.538 496 E N 2.261 122.408 120.200 -0.088 0.000 2.321 496 E HA 0.201 4.534 4.350 -0.029 0.000 0.281 496 E C -1.316 175.217 176.600 -0.112 0.000 0.910 496 E CA -0.976 55.376 56.400 -0.080 0.000 0.770 496 E CB 1.565 31.226 29.700 -0.066 0.000 1.225 496 E HN 0.147 nan 8.360 nan 0.000 0.417 497 R N 1.824 122.263 120.500 -0.102 0.000 2.389 497 R HA 0.194 4.517 4.340 -0.029 0.000 0.295 497 R C -0.472 175.726 176.300 -0.170 0.000 1.075 497 R CA 0.143 56.148 56.100 -0.158 0.000 1.005 497 R CB 1.100 31.363 30.300 -0.061 0.000 0.987 497 R HN 0.400 nan 8.270 nan 0.000 0.452 498 S N 5.316 120.822 115.700 -0.323 0.000 2.537 498 S HA 0.102 4.555 4.470 -0.029 0.000 0.286 498 S C -1.465 173.121 174.600 -0.022 0.000 1.299 498 S CA -1.231 56.860 58.200 -0.182 0.000 1.067 498 S CB 0.641 63.699 63.200 -0.237 0.000 0.864 498 S HN 0.538 nan 8.310 nan 0.000 0.494 499 P HA -0.126 nan 4.420 nan 0.000 0.218 499 P C 1.642 178.994 177.300 0.088 0.000 1.148 499 P CA 1.417 64.543 63.100 0.042 0.000 0.822 499 P CB -0.263 31.450 31.700 0.022 0.000 0.784 500 S N -1.686 114.099 115.700 0.143 0.000 2.440 500 S HA -0.177 4.276 4.470 -0.029 0.000 0.240 500 S C 1.553 176.300 174.600 0.245 0.000 1.014 500 S CA 1.116 59.430 58.200 0.191 0.000 0.980 500 S CB -1.527 61.820 63.200 0.246 0.000 0.775 500 S HN -0.015 nan 8.310 nan 0.000 0.499 501 F N 2.144 122.084 119.950 -0.018 0.000 2.789 501 F HA 0.378 4.886 4.527 -0.032 0.000 0.300 501 F C 2.066 177.800 175.800 -0.110 0.000 1.132 501 F CA -0.630 57.355 58.000 -0.025 0.000 1.404 501 F CB -0.618 38.399 39.000 0.028 0.000 1.114 501 F HN 0.355 nan 8.300 nan 0.000 0.584 502 G N 0.309 109.105 108.800 -0.006 0.000 3.452 502 G HA2 0.060 4.003 3.960 -0.029 0.000 0.258 502 G HA3 0.060 4.003 3.960 -0.029 0.000 0.258 502 G C 0.023 174.465 174.900 -0.764 0.000 1.305 502 G CA 0.131 45.048 45.100 -0.305 0.000 1.514 502 G HN 0.049 nan 8.290 nan 0.000 0.593 503 E N -0.061 119.628 120.200 -0.851 0.000 2.275 503 E HA 0.364 4.697 4.350 -0.029 0.000 0.270 503 E C -0.878 175.288 176.600 -0.723 0.000 0.882 503 E CA -0.781 55.178 56.400 -0.734 0.000 0.758 503 E CB 1.608 31.143 29.700 -0.276 0.000 1.195 503 E HN 0.185 nan 8.360 nan 0.000 0.419 504 Y N 2.500 122.574 120.300 -0.378 0.000 2.448 504 Y HA 0.199 4.732 4.550 -0.029 0.000 0.257 504 Y C 0.709 176.300 175.900 -0.515 0.000 1.089 504 Y CA -0.130 57.641 58.100 -0.549 0.000 1.245 504 Y CB 0.398 38.388 38.460 -0.783 0.000 1.282 504 Y HN 0.419 nan 8.280 nan 0.000 0.529 505 Y N -1.171 119.208 120.300 0.131 0.000 2.535 505 Y HA 0.076 4.610 4.550 -0.027 0.000 0.264 505 Y C 2.458 178.414 175.900 0.094 0.000 1.087 505 Y CA 0.221 58.393 58.100 0.120 0.000 1.285 505 Y CB -0.465 38.072 38.460 0.129 0.000 1.200 505 Y HN 0.043 nan 8.280 nan 0.000 0.514 506 S N -0.513 115.317 115.700 0.218 0.000 2.382 506 S HA -0.208 4.245 4.470 -0.029 0.000 0.228 506 S C 1.485 176.159 174.600 0.123 0.000 1.027 506 S CA 1.759 60.067 58.200 0.180 0.000 0.991 506 S CB -0.594 62.716 63.200 0.182 0.000 0.823 506 S HN 0.435 nan 8.310 nan 0.000 0.469 507 H N 2.823 121.804 119.070 -0.148 0.000 2.363 507 H HA 0.193 4.732 4.556 -0.028 0.000 0.301 507 H C -0.641 174.484 175.328 -0.338 0.000 1.074 507 H CA 1.220 57.035 56.048 -0.389 0.000 1.354 507 H CB -1.726 27.562 29.762 -0.790 0.000 1.397 507 H HN 0.386 nan 8.280 nan 0.000 0.516 508 P HA -0.181 nan 4.420 nan 0.000 0.216 508 P C 1.485 178.975 177.300 0.316 0.000 1.153 508 P CA 1.708 64.960 63.100 0.253 0.000 0.858 508 P CB 0.109 31.981 31.700 0.287 0.000 0.789 509 R N -0.446 120.186 120.500 0.221 0.000 2.066 509 R HA -0.131 4.192 4.340 -0.029 0.000 0.232 509 R C 2.199 178.628 176.300 0.216 0.000 1.131 509 R CA 1.220 57.456 56.100 0.226 0.000 0.955 509 R CB -1.173 29.222 30.300 0.159 0.000 0.851 509 R HN 0.044 nan 8.270 nan 0.000 0.432 510 L N 0.520 121.813 121.223 0.115 0.000 2.043 510 L HA -0.184 4.139 4.340 -0.029 0.000 0.212 510 L C 1.962 178.896 176.870 0.106 0.000 1.075 510 L CA 1.838 56.711 54.840 0.055 0.000 0.752 510 L CB -0.715 41.300 42.059 -0.074 0.000 0.891 510 L HN 0.278 nan 8.230 nan 0.000 0.432 511 F N -0.890 119.104 119.950 0.072 0.000 2.084 511 F HA -0.247 4.264 4.527 -0.026 0.000 0.296 511 F C 2.336 178.152 175.800 0.028 0.000 1.111 511 F CA 2.043 60.072 58.000 0.049 0.000 1.224 511 F CB -0.678 38.404 39.000 0.137 0.000 0.991 511 F HN 0.370 nan 8.300 nan 0.000 0.471 512 W N 1.502 122.774 121.300 -0.046 0.000 2.318 512 W HA -0.255 4.388 4.660 -0.030 0.000 0.313 512 W C 1.700 178.086 176.519 -0.221 0.000 1.221 512 W CA 1.841 59.098 57.345 -0.146 0.000 1.266 512 W CB -0.697 28.782 29.460 0.031 0.000 1.150 512 W HN 0.103 nan 8.180 nan 0.000 0.496 513 L N 0.959 122.106 121.223 -0.127 0.000 2.376 513 L HA -0.146 4.177 4.340 -0.029 0.000 0.219 513 L C 2.383 179.064 176.870 -0.315 0.000 1.133 513 L CA 1.007 55.704 54.840 -0.238 0.000 0.816 513 L CB -0.669 41.371 42.059 -0.031 0.000 0.933 513 L HN -0.145 nan 8.230 nan 0.000 0.449 514 S N -1.419 114.079 115.700 -0.337 0.000 2.527 514 S HA 0.032 4.484 4.470 -0.029 0.000 0.222 514 S C 0.737 175.057 174.600 -0.467 0.000 0.985 514 S CA 0.162 58.162 58.200 -0.333 0.000 0.921 514 S CB 0.025 63.063 63.200 -0.270 0.000 0.772 514 S HN 0.291 nan 8.310 nan 0.000 0.529 515 Q N 2.325 121.737 119.800 -0.647 0.000 2.299 515 Q HA 0.256 4.579 4.340 -0.029 0.000 0.246 515 Q C 0.618 176.228 176.000 -0.649 0.000 0.935 515 Q CA -0.085 55.295 55.803 -0.704 0.000 0.887 515 Q CB 0.484 28.724 28.738 -0.830 0.000 1.223 515 Q HN 0.441 nan 8.270 nan 0.000 0.439 516 T N -1.156 112.984 114.554 -0.691 0.000 2.795 516 T HA 0.104 4.436 4.350 -0.029 0.000 0.314 516 T C -1.707 172.545 174.700 -0.747 0.000 1.069 516 T CA -1.140 60.513 62.100 -0.745 0.000 1.071 516 T CB 0.259 68.436 68.868 -1.151 0.000 0.988 516 T HN 0.257 nan 8.240 nan 0.000 0.543 517 P HA -0.020 nan 4.420 nan 0.000 0.217 517 P C 1.376 178.479 177.300 -0.329 0.000 1.150 517 P CA 1.001 63.890 63.100 -0.352 0.000 0.832 517 P CB -0.245 31.363 31.700 -0.152 0.000 0.787 518 F N -0.228 119.518 119.950 -0.340 0.000 2.234 518 F HA 0.029 4.539 4.527 -0.029 0.000 0.299 518 F C 1.791 177.193 175.800 -0.663 0.000 1.087 518 F CA 0.876 58.598 58.000 -0.465 0.000 1.340 518 F CB -1.574 37.146 39.000 -0.467 0.000 1.031 518 F HN -0.090 nan 8.300 nan 0.000 0.500 519 E N 0.496 120.100 120.200 -0.993 0.000 2.107 519 E HA -0.182 4.150 4.350 -0.029 0.000 0.191 519 E C 2.215 178.595 176.600 -0.366 0.000 0.982 519 E CA 1.200 57.228 56.400 -0.621 0.000 0.809 519 E CB -0.240 29.057 29.700 -0.671 0.000 0.756 519 E HN 0.614 nan 8.360 nan 0.000 0.459 520 Q N 0.312 119.824 119.800 -0.480 0.000 2.084 520 Q HA -0.187 4.136 4.340 -0.029 0.000 0.202 520 Q C 2.262 178.290 176.000 0.047 0.000 0.978 520 Q CA 1.200 56.760 55.803 -0.406 0.000 0.844 520 Q CB -0.158 28.054 28.738 -0.876 0.000 0.898 520 Q HN 0.125 nan 8.270 nan 0.000 0.426 521 R N 0.119 120.609 120.500 -0.015 0.000 2.075 521 R HA -0.148 4.175 4.340 -0.029 0.000 0.232 521 R C 1.723 178.181 176.300 0.263 0.000 1.126 521 R CA 1.506 57.685 56.100 0.131 0.000 0.963 521 R CB -0.136 30.209 30.300 0.075 0.000 0.858 521 R HN 0.463 nan 8.270 nan 0.000 0.435 522 H N -0.332 118.823 119.070 0.141 0.000 2.423 522 H HA -0.063 4.476 4.556 -0.029 0.000 0.297 522 H C 2.136 177.569 175.328 0.175 0.000 1.075 522 H CA 1.253 57.398 56.048 0.161 0.000 1.342 522 H CB 0.057 29.917 29.762 0.164 0.000 1.395 522 H HN 0.221 nan 8.280 nan 0.000 0.530 523 I N 0.128 120.905 120.570 0.345 0.000 2.179 523 I HA -0.251 3.902 4.170 -0.029 0.000 0.242 523 I C 2.295 178.686 176.117 0.455 0.000 1.088 523 I CA 0.767 62.305 61.300 0.397 0.000 1.357 523 I CB -0.143 38.193 38.000 0.560 0.000 1.051 523 I HN 0.078 nan 8.210 nan 0.000 0.409 524 V N 0.925 121.102 119.914 0.439 0.000 2.332 524 V HA -0.326 3.777 4.120 -0.029 0.000 0.248 524 V C 2.038 178.300 176.094 0.280 0.000 1.055 524 V CA 2.108 64.615 62.300 0.346 0.000 1.038 524 V CB -0.685 31.302 31.823 0.272 0.000 0.651 524 V HN 0.425 nan 8.190 nan 0.000 0.450 525 D N 0.363 120.914 120.400 0.251 0.000 2.144 525 D HA -0.087 4.536 4.640 -0.029 0.000 0.200 525 D C 2.187 178.559 176.300 0.120 0.000 0.978 525 D CA 1.531 55.647 54.000 0.193 0.000 0.833 525 D CB -0.621 40.300 40.800 0.202 0.000 0.961 525 D HN 0.471 nan 8.370 nan 0.000 0.470 526 G N 0.100 108.942 108.800 0.070 0.000 2.433 526 G HA2 -0.250 3.693 3.960 -0.029 0.000 0.216 526 G HA3 -0.250 3.693 3.960 -0.029 0.000 0.216 526 G C 1.471 176.367 174.900 -0.006 0.000 1.186 526 G CA 0.234 45.282 45.100 -0.087 0.000 0.779 526 G HN 0.166 nan 8.290 nan 0.000 0.543 527 F N 1.876 121.865 119.950 0.065 0.000 2.126 527 F HA -0.099 4.411 4.527 -0.029 0.000 0.299 527 F C 3.177 178.903 175.800 -0.122 0.000 1.096 527 F CA 1.679 59.655 58.000 -0.040 0.000 1.255 527 F CB -0.355 38.621 39.000 -0.040 0.000 0.997 527 F HN 0.088 nan 8.300 nan 0.000 0.479 528 S N -0.197 115.600 115.700 0.162 0.000 2.368 528 S HA -0.206 4.247 4.470 -0.029 0.000 0.225 528 S C 1.847 176.479 174.600 0.053 0.000 1.030 528 S CA 1.259 59.502 58.200 0.073 0.000 0.999 528 S CB -0.783 62.477 63.200 0.101 0.000 0.844 528 S HN 0.413 nan 8.310 nan 0.000 0.459 529 F N 2.621 122.535 119.950 -0.060 0.000 2.113 529 F HA -0.052 4.457 4.527 -0.030 0.000 0.297 529 F C 2.257 178.006 175.800 -0.086 0.000 1.103 529 F CA 1.340 59.298 58.000 -0.070 0.000 1.248 529 F CB -0.324 38.588 39.000 -0.147 0.000 0.999 529 F HN 0.114 nan 8.300 nan 0.000 0.475 530 E N 0.636 120.887 120.200 0.086 0.000 2.051 530 E HA -0.209 4.124 4.350 -0.029 0.000 0.192 530 E C 2.362 178.811 176.600 -0.250 0.000 0.991 530 E CA 1.662 58.062 56.400 0.000 0.000 0.799 530 E CB -0.542 29.291 29.700 0.221 0.000 0.748 530 E HN 0.469 nan 8.360 nan 0.000 0.449 531 L N 0.911 121.900 121.223 -0.390 0.000 2.217 531 L HA -0.096 4.227 4.340 -0.029 0.000 0.211 531 L C 2.466 179.184 176.870 -0.253 0.000 1.107 531 L CA 0.441 55.012 54.840 -0.448 0.000 0.783 531 L CB -0.160 41.632 42.059 -0.445 0.000 0.919 531 L HN 0.011 nan 8.230 nan 0.000 0.442 532 S N -0.136 115.431 115.700 -0.222 0.000 2.419 532 S HA -0.145 4.307 4.470 -0.029 0.000 0.233 532 S C 1.717 176.209 174.600 -0.180 0.000 1.016 532 S CA 1.178 59.268 58.200 -0.183 0.000 0.974 532 S CB -0.075 63.009 63.200 -0.194 0.000 0.786 532 S HN 0.396 nan 8.310 nan 0.000 0.492 533 K N 0.878 121.147 120.400 -0.219 0.000 2.444 533 K HA 0.158 4.461 4.320 -0.029 0.000 0.193 533 K C -0.280 176.315 176.600 -0.009 0.000 1.024 533 K CA 0.039 56.255 56.287 -0.118 0.000 1.077 533 K CB 0.344 32.764 32.500 -0.133 0.000 0.833 533 K HN 0.114 nan 8.250 nan 0.000 0.517 534 V N 1.634 121.525 119.914 -0.038 0.000 2.461 534 V HA -0.016 4.086 4.120 -0.029 0.000 0.275 534 V C 1.343 177.422 176.094 -0.024 0.000 1.047 534 V CA -0.042 62.260 62.300 0.003 0.000 0.955 534 V CB 1.561 33.355 31.823 -0.048 0.000 0.988 534 V HN -0.042 nan 8.190 nan 0.000 0.471 535 V N 5.129 125.047 119.914 0.006 0.000 2.535 535 V HA 0.028 4.130 4.120 -0.029 0.000 0.246 535 V C 1.279 177.355 176.094 -0.030 0.000 1.045 535 V CA 1.026 63.326 62.300 0.001 0.000 1.058 535 V CB -0.358 31.483 31.823 0.030 0.000 0.689 535 V HN 0.746 nan 8.190 nan 0.000 0.461 536 R N 1.037 121.490 120.500 -0.077 0.000 2.248 536 R HA 0.162 4.485 4.340 -0.029 0.000 0.337 536 R C -1.721 174.458 176.300 -0.202 0.000 1.085 536 R CA -1.302 54.718 56.100 -0.132 0.000 0.934 536 R CB 0.569 30.698 30.300 -0.285 0.000 1.034 536 R HN 0.264 nan 8.270 nan 0.000 0.465 537 P HA -0.206 nan 4.420 nan 0.000 0.219 537 P C 0.657 177.930 177.300 -0.045 0.000 1.146 537 P CA 1.110 64.183 63.100 -0.045 0.000 0.808 537 P CB 0.015 31.724 31.700 0.015 0.000 0.779 538 Y N -1.373 118.926 120.300 -0.001 0.000 2.274 538 Y HA -0.082 4.450 4.550 -0.030 0.000 0.290 538 Y C 1.925 177.830 175.900 0.008 0.000 1.145 538 Y CA 0.752 58.853 58.100 0.001 0.000 1.203 538 Y CB -1.704 36.757 38.460 0.002 0.000 0.984 538 Y HN -0.116 nan 8.280 nan 0.000 0.533 539 I N 0.931 121.100 120.570 -0.668 0.000 2.202 539 I HA -0.254 3.899 4.170 -0.029 0.000 0.242 539 I C 2.541 178.574 176.117 -0.140 0.000 1.091 539 I CA 1.453 62.533 61.300 -0.367 0.000 1.368 539 I CB -0.399 37.367 38.000 -0.390 0.000 1.058 539 I HN 0.169 nan 8.210 nan 0.000 0.410 540 R N 0.803 121.209 120.500 -0.157 0.000 2.091 540 R HA -0.208 4.115 4.340 -0.029 0.000 0.238 540 R C 2.123 178.373 176.300 -0.083 0.000 1.136 540 R CA 1.636 57.656 56.100 -0.134 0.000 0.959 540 R CB -0.429 29.791 30.300 -0.134 0.000 0.856 540 R HN 0.469 nan 8.270 nan 0.000 0.437 541 E N 0.232 120.408 120.200 -0.041 0.000 2.106 541 E HA -0.133 4.200 4.350 -0.029 0.000 0.192 541 E C 2.115 178.720 176.600 0.008 0.000 0.984 541 E CA 0.867 57.261 56.400 -0.010 0.000 0.806 541 E CB 0.019 29.735 29.700 0.026 0.000 0.750 541 E HN 0.274 nan 8.360 nan 0.000 0.458 542 R N 0.302 120.822 120.500 0.034 0.000 2.092 542 R HA -0.078 4.245 4.340 -0.029 0.000 0.231 542 R C 2.382 178.705 176.300 0.039 0.000 1.119 542 R CA 0.873 57.005 56.100 0.054 0.000 0.970 542 R CB -0.203 30.151 30.300 0.089 0.000 0.864 542 R HN 0.044 nan 8.270 nan 0.000 0.440 543 V N 0.377 120.308 119.914 0.028 0.000 2.295 543 V HA -0.222 3.880 4.120 -0.029 0.000 0.246 543 V C 2.297 178.367 176.094 -0.040 0.000 1.049 543 V CA 1.615 63.937 62.300 0.037 0.000 1.024 543 V CB -0.352 31.502 31.823 0.053 0.000 0.648 543 V HN 0.125 nan 8.190 nan 0.000 0.447 544 V N 0.457 120.321 119.914 -0.083 0.000 2.392 544 V HA -0.334 3.768 4.120 -0.029 0.000 0.249 544 V C 2.317 178.369 176.094 -0.070 0.000 1.059 544 V CA 2.479 64.710 62.300 -0.115 0.000 1.051 544 V CB -0.725 31.036 31.823 -0.102 0.000 0.658 544 V HN 0.655 nan 8.190 nan 0.000 0.455 545 D N -0.753 119.638 120.400 -0.015 0.000 2.104 545 D HA -0.206 4.416 4.640 -0.029 0.000 0.194 545 D C 2.289 178.658 176.300 0.116 0.000 0.994 545 D CA 1.292 55.317 54.000 0.043 0.000 0.830 545 D CB -0.049 40.794 40.800 0.071 0.000 0.959 545 D HN 0.329 nan 8.370 nan 0.000 0.452 546 Q N -0.240 119.598 119.800 0.063 0.000 2.124 546 Q HA -0.099 4.223 4.340 -0.029 0.000 0.202 546 Q C 2.584 178.603 176.000 0.032 0.000 0.977 546 Q CA 0.722 56.564 55.803 0.064 0.000 0.850 546 Q CB -0.358 28.439 28.738 0.098 0.000 0.901 546 Q HN 0.463 nan 8.270 nan 0.000 0.429 547 L N 0.022 121.204 121.223 -0.070 0.000 2.083 547 L HA -0.131 4.192 4.340 -0.029 0.000 0.209 547 L C 2.395 179.157 176.870 -0.180 0.000 1.083 547 L CA 0.968 55.694 54.840 -0.190 0.000 0.752 547 L CB -0.724 41.117 42.059 -0.363 0.000 0.899 547 L HN 0.092 nan 8.230 nan 0.000 0.433 548 A N -0.507 122.233 122.820 -0.133 0.000 2.070 548 A HA -0.219 4.084 4.320 -0.029 0.000 0.220 548 A C 1.772 179.203 177.584 -0.256 0.000 1.159 548 A CA 1.435 53.364 52.037 -0.180 0.000 0.656 548 A CB -0.767 18.132 19.000 -0.169 0.000 0.800 548 A HN 0.462 nan 8.150 nan 0.000 0.453 549 H N -1.266 117.594 119.070 -0.351 0.000 2.551 549 H HA 0.248 4.788 4.556 -0.028 0.000 0.266 549 H C 1.509 176.550 175.328 -0.478 0.000 0.977 549 H CA 0.991 56.692 56.048 -0.578 0.000 1.163 549 H CB 0.010 29.008 29.762 -1.273 0.000 1.381 549 H HN 0.525 nan 8.280 nan 0.000 0.581 550 I N -1.303 119.168 120.570 -0.164 0.000 2.900 550 I HA 0.103 4.256 4.170 -0.029 0.000 0.251 550 I C -0.111 175.939 176.117 -0.111 0.000 1.102 550 I CA 0.370 61.639 61.300 -0.050 0.000 1.457 550 I CB 0.726 38.721 38.000 -0.007 0.000 1.285 550 I HN 0.074 nan 8.210 nan 0.000 0.459 551 D N -0.673 119.593 120.400 -0.223 0.000 2.836 551 D HA 0.188 4.811 4.640 -0.029 0.000 0.215 551 D C 0.081 176.229 176.300 -0.254 0.000 1.255 551 D CA -0.408 53.445 54.000 -0.244 0.000 0.822 551 D CB 1.592 42.114 40.800 -0.463 0.000 1.656 551 D HN -0.044 nan 8.370 nan 0.000 0.511 552 L N 2.599 123.729 121.223 -0.155 0.000 2.109 552 L HA -0.037 4.285 4.340 -0.029 0.000 0.207 552 L C 1.348 178.147 176.870 -0.117 0.000 1.086 552 L CA 1.478 56.239 54.840 -0.131 0.000 0.760 552 L CB -0.261 41.748 42.059 -0.083 0.000 0.910 552 L HN 0.573 nan 8.230 nan 0.000 0.437 553 T N 0.665 115.175 114.554 -0.072 0.000 2.746 553 T HA -0.197 4.135 4.350 -0.029 0.000 0.267 553 T C 1.779 176.426 174.700 -0.088 0.000 1.039 553 T CA 1.554 63.652 62.100 -0.003 0.000 1.142 553 T CB -0.254 68.701 68.868 0.145 0.000 0.866 553 T HN 0.245 nan 8.240 nan 0.000 0.444 554 L N 1.658 122.670 121.223 -0.352 0.000 2.017 554 L HA 0.046 4.369 4.340 -0.029 0.000 0.208 554 L C 2.575 179.224 176.870 -0.369 0.000 1.073 554 L CA 2.084 56.554 54.840 -0.617 0.000 0.745 554 L CB -1.159 40.127 42.059 -1.289 0.000 0.894 554 L HN 0.206 nan 8.230 nan 0.000 0.432 555 A N -1.061 121.562 122.820 -0.327 0.000 1.877 555 A HA -0.256 4.046 4.320 -0.029 0.000 0.216 555 A C 2.215 179.704 177.584 -0.158 0.000 1.186 555 A CA 1.889 53.779 52.037 -0.245 0.000 0.620 555 A CB -0.652 18.221 19.000 -0.211 0.000 0.822 555 A HN 0.683 nan 8.150 nan 0.000 0.443 556 Q N -0.782 118.948 119.800 -0.117 0.000 2.084 556 Q HA -0.109 4.213 4.340 -0.029 0.000 0.202 556 Q C 2.454 178.428 176.000 -0.043 0.000 0.978 556 Q CA 1.362 57.125 55.803 -0.067 0.000 0.844 556 Q CB -0.382 28.331 28.738 -0.042 0.000 0.898 556 Q HN 0.688 nan 8.270 nan 0.000 0.426 557 A N 0.254 123.055 122.820 -0.031 0.000 1.902 557 A HA -0.138 4.165 4.320 -0.029 0.000 0.217 557 A C 2.293 179.879 177.584 0.002 0.000 1.181 557 A CA 1.381 53.425 52.037 0.012 0.000 0.623 557 A CB -0.572 18.467 19.000 0.066 0.000 0.818 557 A HN 0.213 nan 8.150 nan 0.000 0.443 558 V N -0.337 119.550 119.914 -0.046 0.000 2.323 558 V HA -0.158 3.945 4.120 -0.029 0.000 0.244 558 V C 3.048 179.108 176.094 -0.056 0.000 1.041 558 V CA 1.651 63.922 62.300 -0.050 0.000 1.025 558 V CB -1.227 30.515 31.823 -0.135 0.000 0.656 558 V HN 0.600 nan 8.190 nan 0.000 0.451 559 A N 0.021 122.797 122.820 -0.074 0.000 1.917 559 A HA -0.319 3.983 4.320 -0.029 0.000 0.219 559 A C 2.346 179.910 177.584 -0.033 0.000 1.182 559 A CA 2.448 54.450 52.037 -0.059 0.000 0.633 559 A CB -0.561 18.402 19.000 -0.062 0.000 0.819 559 A HN 0.519 nan 8.150 nan 0.000 0.448 560 K N -0.551 119.837 120.400 -0.020 0.000 2.097 560 K HA -0.176 4.127 4.320 -0.029 0.000 0.206 560 K C 1.380 177.983 176.600 0.005 0.000 1.049 560 K CA 1.545 57.830 56.287 -0.003 0.000 0.933 560 K CB -0.208 32.296 32.500 0.008 0.000 0.717 560 K HN 0.445 nan 8.250 nan 0.000 0.442 561 N N 0.496 119.202 118.700 0.010 0.000 2.459 561 N HA -0.090 4.632 4.740 -0.029 0.000 0.181 561 N C 0.927 176.439 175.510 0.002 0.000 1.046 561 N CA 0.632 53.695 53.050 0.021 0.000 0.904 561 N CB 0.156 38.668 38.487 0.042 0.000 0.964 561 N HN 0.148 nan 8.380 nan 0.000 0.444 562 L N -0.388 120.825 121.223 -0.017 0.000 2.640 562 L HA 0.289 4.612 4.340 -0.029 0.000 0.230 562 L C 1.219 178.075 176.870 -0.024 0.000 1.123 562 L CA 0.128 54.949 54.840 -0.032 0.000 0.900 562 L CB -0.865 41.160 42.059 -0.056 0.000 1.146 562 L HN 0.188 nan 8.230 nan 0.000 0.484 563 G N 0.600 109.391 108.800 -0.014 0.000 2.176 563 G HA2 -0.282 3.661 3.960 -0.029 0.000 0.252 563 G HA3 -0.282 3.661 3.960 -0.029 0.000 0.252 563 G C 0.337 175.229 174.900 -0.013 0.000 1.024 563 G CA 0.349 45.443 45.100 -0.010 0.000 0.755 563 G HN 0.323 nan 8.290 nan 0.000 0.507 564 I N -0.142 120.416 120.570 -0.020 0.000 2.493 564 I HA 0.453 4.606 4.170 -0.029 0.000 0.298 564 I C 0.163 176.267 176.117 -0.023 0.000 0.998 564 I CA -0.742 60.544 61.300 -0.023 0.000 1.137 564 I CB 1.881 39.861 38.000 -0.034 0.000 1.310 564 I HN 0.016 nan 8.210 nan 0.000 0.445 565 E N 5.271 125.459 120.200 -0.020 0.000 2.165 565 E HA 0.320 4.652 4.350 -0.029 0.000 0.266 565 E C -1.160 175.425 176.600 -0.026 0.000 0.889 565 E CA -0.971 55.417 56.400 -0.020 0.000 0.756 565 E CB 1.678 31.370 29.700 -0.014 0.000 1.131 565 E HN 0.274 nan 8.360 nan 0.000 0.411 566 L N 2.984 124.186 121.223 -0.034 0.000 2.461 566 L HA 0.077 4.400 4.340 -0.029 0.000 0.272 566 L C 1.257 178.107 176.870 -0.034 0.000 1.197 566 L CA 0.366 55.182 54.840 -0.041 0.000 0.836 566 L CB 0.188 42.214 42.059 -0.055 0.000 1.105 566 L HN 0.603 nan 8.230 nan 0.000 0.477 567 T N -1.577 112.957 114.554 -0.034 0.000 2.868 567 T HA 0.124 4.456 4.350 -0.029 0.000 0.292 567 T C 1.225 175.904 174.700 -0.036 0.000 1.028 567 T CA -0.332 61.750 62.100 -0.029 0.000 1.059 567 T CB 0.710 69.564 68.868 -0.024 0.000 0.991 567 T HN 0.683 nan 8.240 nan 0.000 0.531 568 D N 1.650 122.032 120.400 -0.030 0.000 2.303 568 D HA -0.308 4.314 4.640 -0.029 0.000 0.190 568 D C 1.143 177.419 176.300 -0.040 0.000 1.011 568 D CA 1.985 55.967 54.000 -0.031 0.000 0.860 568 D CB -0.642 40.145 40.800 -0.023 0.000 0.961 568 D HN 0.606 nan 8.370 nan 0.000 0.453 569 D N 0.921 121.297 120.400 -0.039 0.000 2.116 569 D HA -0.155 4.467 4.640 -0.029 0.000 0.193 569 D C 2.422 178.674 176.300 -0.080 0.000 0.998 569 D CA 1.195 55.165 54.000 -0.050 0.000 0.836 569 D CB -0.404 40.374 40.800 -0.038 0.000 0.951 569 D HN 0.480 nan 8.370 nan 0.000 0.449 570 Q N -0.618 119.134 119.800 -0.080 0.000 2.119 570 Q HA -0.075 4.248 4.340 -0.029 0.000 0.201 570 Q C 1.982 177.908 176.000 -0.124 0.000 0.972 570 Q CA 0.385 56.118 55.803 -0.116 0.000 0.847 570 Q CB 0.033 28.717 28.738 -0.089 0.000 0.903 570 Q HN 0.170 nan 8.270 nan 0.000 0.433 571 L N 1.049 122.219 121.223 -0.088 0.000 2.191 571 L HA -0.138 4.184 4.340 -0.029 0.000 0.212 571 L C 1.154 177.975 176.870 -0.081 0.000 1.103 571 L CA 1.526 56.319 54.840 -0.078 0.000 0.769 571 L CB -0.477 41.550 42.059 -0.054 0.000 0.908 571 L HN 0.246 nan 8.230 nan 0.000 0.438 572 N N -0.828 117.821 118.700 -0.086 0.000 2.235 572 N HA 0.178 4.900 4.740 -0.029 0.000 0.209 572 N C 0.322 175.769 175.510 -0.104 0.000 1.122 572 N CA -0.027 52.976 53.050 -0.078 0.000 0.845 572 N CB 0.631 39.084 38.487 -0.058 0.000 1.004 572 N HN 0.234 nan 8.380 nan 0.000 0.499 573 I N 1.744 122.218 120.570 -0.159 0.000 2.587 573 I HA -0.047 4.105 4.170 -0.029 0.000 0.284 573 I C 0.484 176.505 176.117 -0.161 0.000 1.134 573 I CA 0.323 61.492 61.300 -0.219 0.000 1.410 573 I CB 0.268 38.011 38.000 -0.427 0.000 1.392 573 I HN -0.166 nan 8.210 nan 0.000 0.545 574 T N 8.669 123.154 114.554 -0.115 0.000 2.867 574 T HA 0.094 4.427 4.350 -0.029 0.000 0.297 574 T C -1.944 172.716 174.700 -0.066 0.000 0.989 574 T CA -0.737 61.323 62.100 -0.067 0.000 1.159 574 T CB -0.093 68.755 68.868 -0.033 0.000 0.928 574 T HN 0.428 nan 8.240 nan 0.000 0.538 575 P HA 0.143 nan 4.420 nan 0.000 0.267 575 P C -2.372 174.942 177.300 0.023 0.000 1.200 575 P CA -1.217 61.872 63.100 -0.019 0.000 0.772 575 P CB -0.373 31.327 31.700 0.001 0.000 0.855 576 P HA 0.208 nan 4.420 nan 0.000 0.272 576 P C -2.317 175.038 177.300 0.091 0.000 1.230 576 P CA -1.274 61.894 63.100 0.114 0.000 0.788 576 P CB -0.798 31.019 31.700 0.196 0.000 0.949 577 P HA 0.148 nan 4.420 nan 0.000 0.274 577 P C -0.302 177.048 177.300 0.082 0.000 1.256 577 P CA -0.056 63.091 63.100 0.078 0.000 0.795 577 P CB 0.357 32.103 31.700 0.077 0.000 1.038 578 D N -0.702 119.740 120.400 0.069 0.000 2.361 578 D HA 0.122 4.744 4.640 -0.029 0.000 0.239 578 D C -0.215 176.135 176.300 0.083 0.000 1.200 578 D CA 0.054 54.092 54.000 0.063 0.000 0.915 578 D CB 0.262 41.094 40.800 0.054 0.000 1.170 578 D HN -0.038 nan 8.370 nan 0.000 0.444 579 V N 2.290 122.246 119.914 0.070 0.000 2.348 579 V HA 0.090 4.192 4.120 -0.029 0.000 0.270 579 V C 0.066 176.254 176.094 0.156 0.000 1.037 579 V CA -0.644 61.731 62.300 0.124 0.000 0.872 579 V CB 0.027 31.844 31.823 -0.010 0.000 1.002 579 V HN 0.575 nan 8.190 nan 0.000 0.464 580 N N 4.547 123.354 118.700 0.179 0.000 2.698 580 N HA -0.232 4.490 4.740 -0.029 0.000 0.258 580 N C 1.230 176.794 175.510 0.089 0.000 0.978 580 N CA 1.134 54.263 53.050 0.131 0.000 0.777 580 N CB -0.854 37.734 38.487 0.169 0.000 0.907 580 N HN 1.312 nan 8.380 nan 0.000 0.543 581 G N -1.927 106.916 108.800 0.071 0.000 2.184 581 G HA2 -0.342 3.601 3.960 -0.029 0.000 0.264 581 G HA3 -0.342 3.601 3.960 -0.029 0.000 0.264 581 G C 0.135 175.063 174.900 0.048 0.000 0.975 581 G CA 0.410 45.540 45.100 0.051 0.000 0.642 581 G HN 0.442 nan 8.290 nan 0.000 0.536 582 L N 1.183 122.440 121.223 0.056 0.000 2.319 582 L HA 0.339 4.662 4.340 -0.029 0.000 0.280 582 L C 1.894 178.780 176.870 0.028 0.000 1.099 582 L CA -0.384 54.481 54.840 0.041 0.000 0.828 582 L CB 1.058 43.144 42.059 0.045 0.000 1.150 582 L HN 0.237 nan 8.230 nan 0.000 0.442 583 K N 3.486 123.898 120.400 0.019 0.000 2.166 583 K HA 0.056 4.359 4.320 -0.029 0.000 0.201 583 K C 0.231 176.831 176.600 -0.001 0.000 1.052 583 K CA 0.615 56.911 56.287 0.014 0.000 0.969 583 K CB 0.253 32.762 32.500 0.014 0.000 0.761 583 K HN 0.638 nan 8.250 nan 0.000 0.459 584 K N -0.438 119.955 120.400 -0.012 0.000 2.522 584 K HA 0.395 4.698 4.320 -0.029 0.000 0.275 584 K C -1.835 174.752 176.600 -0.021 0.000 1.006 584 K CA -0.886 55.379 56.287 -0.036 0.000 0.890 584 K CB 1.987 34.446 32.500 -0.070 0.000 1.475 584 K HN -0.156 nan 8.250 nan 0.000 0.441 585 D N 1.380 121.763 120.400 -0.029 0.000 2.470 585 D HA 0.253 4.876 4.640 -0.029 0.000 0.233 585 D C -2.213 174.079 176.300 -0.012 0.000 1.372 585 D CA -1.879 52.123 54.000 0.004 0.000 0.994 585 D CB 2.105 42.930 40.800 0.041 0.000 1.377 585 D HN 0.291 nan 8.370 nan 0.000 0.586 586 P HA -0.080 nan 4.420 nan 0.000 0.225 586 P C 1.298 178.599 177.300 0.000 0.000 1.148 586 P CA 0.677 63.755 63.100 -0.036 0.000 0.779 586 P CB 0.110 31.798 31.700 -0.019 0.000 0.780 587 S N -0.976 114.756 115.700 0.053 0.000 2.537 587 S HA -0.067 4.386 4.470 -0.029 0.000 0.240 587 S C 1.564 176.259 174.600 0.159 0.000 0.981 587 S CA 0.802 59.070 58.200 0.113 0.000 0.948 587 S CB -1.377 61.910 63.200 0.145 0.000 0.759 587 S HN 0.154 nan 8.310 nan 0.000 0.531 588 L N 0.951 122.229 121.223 0.091 0.000 2.554 588 L HA 0.279 4.601 4.340 -0.029 0.000 0.225 588 L C 1.392 178.171 176.870 -0.152 0.000 1.104 588 L CA -0.040 54.852 54.840 0.088 0.000 0.866 588 L CB -0.148 41.984 42.059 0.123 0.000 1.047 588 L HN 0.297 nan 8.230 nan 0.000 0.468 589 S N -0.096 115.488 115.700 -0.193 0.000 2.580 589 S HA 0.248 4.700 4.470 -0.029 0.000 0.274 589 S C 1.142 175.627 174.600 -0.192 0.000 1.329 589 S CA -0.534 57.503 58.200 -0.271 0.000 1.036 589 S CB 1.127 64.170 63.200 -0.261 0.000 0.919 589 S HN 0.195 nan 8.310 nan 0.000 0.515 590 L N 3.101 124.132 121.223 -0.320 0.000 2.156 590 L HA 0.013 4.335 4.340 -0.029 0.000 0.208 590 L C 1.008 177.591 176.870 -0.479 0.000 1.095 590 L CA 1.105 55.647 54.840 -0.497 0.000 0.770 590 L CB -0.280 41.191 42.059 -0.979 0.000 0.914 590 L HN 0.766 nan 8.230 nan 0.000 0.439 591 Y N -2.260 118.034 120.300 -0.009 0.000 2.452 591 Y HA 0.314 4.847 4.550 -0.028 0.000 0.262 591 Y C 2.263 178.189 175.900 0.044 0.000 1.089 591 Y CA -0.132 58.014 58.100 0.077 0.000 1.262 591 Y CB -0.594 37.945 38.460 0.132 0.000 1.236 591 Y HN -0.047 nan 8.280 nan 0.000 0.512 592 A N 1.036 123.888 122.820 0.054 0.000 1.884 592 A HA -0.161 4.141 4.320 -0.029 0.000 0.219 592 A C 1.010 178.633 177.584 0.065 0.000 1.197 592 A CA 1.304 53.347 52.037 0.010 0.000 0.637 592 A CB -0.995 17.956 19.000 -0.081 0.000 0.827 592 A HN 0.304 nan 8.150 nan 0.000 0.450 593 I N 0.855 121.466 120.570 0.068 0.000 2.312 593 I HA 0.235 4.388 4.170 -0.029 0.000 0.290 593 I C -2.445 173.740 176.117 0.114 0.000 1.008 593 I CA -2.172 59.175 61.300 0.079 0.000 1.226 593 I CB 1.409 39.445 38.000 0.059 0.000 1.371 593 I HN 0.038 nan 8.210 nan 0.000 0.468 594 P HA 0.007 nan 4.420 nan 0.000 0.262 594 P C -0.410 176.958 177.300 0.112 0.000 1.182 594 P CA 0.278 63.461 63.100 0.138 0.000 0.761 594 P CB 0.396 32.165 31.700 0.115 0.000 0.795 595 D N 0.867 121.340 120.400 0.123 0.000 2.615 595 D HA 0.092 4.714 4.640 -0.029 0.000 0.274 595 D C 0.599 176.954 176.300 0.092 0.000 1.512 595 D CA -0.370 53.687 54.000 0.095 0.000 0.803 595 D CB -0.590 40.262 40.800 0.087 0.000 1.182 595 D HN 0.334 nan 8.370 nan 0.000 0.473 596 G N -0.053 108.815 108.800 0.113 0.000 2.559 596 G HA2 0.350 4.293 3.960 -0.029 0.000 0.235 596 G HA3 0.350 4.293 3.960 -0.029 0.000 0.235 596 G C -0.700 174.241 174.900 0.068 0.000 1.266 596 G CA 0.239 45.402 45.100 0.106 0.000 0.847 596 G HN 0.181 nan 8.290 nan 0.000 0.583 597 D N -0.849 119.585 120.400 0.056 0.000 2.886 597 D HA 0.309 4.931 4.640 -0.029 0.000 0.216 597 D C 0.620 176.934 176.300 0.024 0.000 1.256 597 D CA -0.183 53.835 54.000 0.029 0.000 0.844 597 D CB 1.924 42.734 40.800 0.017 0.000 1.669 597 D HN 0.419 nan 8.370 nan 0.000 0.513 598 V N 0.620 120.537 119.914 0.006 0.000 3.621 598 V HA 0.371 4.474 4.120 -0.029 0.000 0.263 598 V C 0.856 176.930 176.094 -0.034 0.000 1.272 598 V CA -0.075 62.223 62.300 -0.002 0.000 1.080 598 V CB -0.327 31.491 31.823 -0.009 0.000 0.816 598 V HN 0.409 nan 8.190 nan 0.000 0.451 599 K N 1.782 122.154 120.400 -0.047 0.000 2.430 599 K HA 0.366 4.668 4.320 -0.029 0.000 0.280 599 K C 1.213 177.768 176.600 -0.076 0.000 1.063 599 K CA 1.252 57.489 56.287 -0.084 0.000 1.071 599 K CB -0.187 32.271 32.500 -0.070 0.000 0.899 599 K HN 0.831 nan 8.250 nan 0.000 0.473 600 G N 3.377 112.096 108.800 -0.134 0.000 2.194 600 G HA2 -0.207 3.736 3.960 -0.029 0.000 0.236 600 G HA3 -0.207 3.736 3.960 -0.029 0.000 0.236 600 G C 0.076 175.015 174.900 0.065 0.000 0.987 600 G CA -0.299 44.795 45.100 -0.011 0.000 0.635 600 G HN 0.563 nan 8.290 nan 0.000 0.520 601 R N -0.199 120.310 120.500 0.016 0.000 2.747 601 R HA 0.651 4.973 4.340 -0.029 0.000 0.278 601 R C 0.248 176.604 176.300 0.093 0.000 1.153 601 R CA 0.074 56.215 56.100 0.070 0.000 1.206 601 R CB 0.385 30.721 30.300 0.060 0.000 1.161 601 R HN 0.453 nan 8.270 nan 0.000 0.589 602 V N 0.157 120.142 119.914 0.119 0.000 2.760 602 V HA 0.382 4.485 4.120 -0.029 0.000 0.309 602 V C -0.398 175.762 176.094 0.110 0.000 1.077 602 V CA -0.955 61.429 62.300 0.141 0.000 0.910 602 V CB 2.311 34.238 31.823 0.173 0.000 1.008 602 V HN 0.357 nan 8.190 nan 0.000 0.424 603 V N 2.703 122.678 119.914 0.102 0.000 2.495 603 V HA 0.798 4.900 4.120 -0.029 0.000 0.298 603 V C 0.440 176.595 176.094 0.101 0.000 1.031 603 V CA -0.533 61.819 62.300 0.087 0.000 0.871 603 V CB 1.894 33.755 31.823 0.062 0.000 0.988 603 V HN 1.086 nan 8.190 nan 0.000 0.432 604 A N 6.081 128.970 122.820 0.115 0.000 2.328 604 A HA 0.790 5.093 4.320 -0.029 0.000 0.284 604 A C -0.440 177.169 177.584 0.041 0.000 1.160 604 A CA -0.279 51.817 52.037 0.098 0.000 0.818 604 A CB 0.101 19.196 19.000 0.158 0.000 1.087 604 A HN 0.776 nan 8.150 nan 0.000 0.504 605 I N 3.449 124.037 120.570 0.031 0.000 2.354 605 I HA 0.211 4.364 4.170 -0.029 0.000 0.286 605 I C -0.570 175.565 176.117 0.031 0.000 1.007 605 I CA -0.206 61.112 61.300 0.030 0.000 1.167 605 I CB 1.319 39.347 38.000 0.047 0.000 1.320 605 I HN 0.476 nan 8.210 nan 0.000 0.458 606 L N 7.192 128.419 121.223 0.006 0.000 2.325 606 L HA 0.395 4.718 4.340 -0.029 0.000 0.284 606 L C 0.024 177.007 176.870 0.188 0.000 1.089 606 L CA -0.262 54.634 54.840 0.095 0.000 0.836 606 L CB 0.148 42.108 42.059 -0.164 0.000 1.184 606 L HN 0.458 nan 8.230 nan 0.000 0.444 607 L N 3.631 125.026 121.223 0.287 0.000 2.454 607 L HA 0.392 4.715 4.340 -0.029 0.000 0.256 607 L C 0.102 177.198 176.870 0.377 0.000 1.136 607 L CA -0.493 54.474 54.840 0.212 0.000 0.804 607 L CB 1.121 43.202 42.059 0.037 0.000 1.181 607 L HN 0.712 nan 8.230 nan 0.000 0.469 608 N N -2.136 116.679 118.700 0.191 0.000 3.102 608 N HA 0.221 4.944 4.740 -0.029 0.000 0.299 608 N C -0.270 175.251 175.510 0.018 0.000 1.482 608 N CA -0.628 52.589 53.050 0.278 0.000 0.785 608 N CB 0.426 39.038 38.487 0.209 0.000 1.680 608 N HN 0.517 nan 8.380 nan 0.000 0.594 609 D N -1.950 118.505 120.400 0.092 0.000 2.277 609 D HA -0.008 4.614 4.640 -0.029 0.000 0.208 609 D C -0.301 175.972 176.300 -0.046 0.000 0.962 609 D CA 1.057 55.046 54.000 -0.019 0.000 0.865 609 D CB -0.001 40.847 40.800 0.080 0.000 0.939 609 D HN 0.638 nan 8.370 nan 0.000 0.510 610 E N 0.225 120.416 120.200 -0.015 0.000 3.132 610 E HA 0.311 4.644 4.350 -0.029 0.000 0.241 610 E C -1.449 175.141 176.600 -0.016 0.000 1.196 610 E CA -0.451 55.936 56.400 -0.021 0.000 0.869 610 E CB 1.056 30.750 29.700 -0.009 0.000 1.387 610 E HN -0.100 nan 8.360 nan 0.000 0.393 611 V N 2.121 122.018 119.914 -0.029 0.000 2.881 611 V HA 0.239 4.341 4.120 -0.029 0.000 0.303 611 V C 0.758 176.837 176.094 -0.025 0.000 1.070 611 V CA -0.346 61.942 62.300 -0.019 0.000 1.074 611 V CB 1.308 33.116 31.823 -0.025 0.000 1.012 611 V HN 0.462 nan 8.190 nan 0.000 0.482 612 R N 2.679 123.164 120.500 -0.025 0.000 3.247 612 R HA 0.088 4.411 4.340 -0.029 0.000 0.212 612 R C 1.786 178.064 176.300 -0.036 0.000 1.604 612 R CA 0.694 56.775 56.100 -0.033 0.000 1.279 612 R CB -0.487 29.788 30.300 -0.042 0.000 1.277 612 R HN 1.004 nan 8.270 nan 0.000 0.669 613 S N 1.448 117.130 115.700 -0.031 0.000 2.468 613 S HA -0.391 4.061 4.470 -0.029 0.000 0.261 613 S C 1.946 176.528 174.600 -0.030 0.000 1.127 613 S CA 1.698 59.881 58.200 -0.029 0.000 1.092 613 S CB -0.404 62.781 63.200 -0.026 0.000 0.945 613 S HN 0.599 nan 8.310 nan 0.000 0.463 614 A N 1.829 124.627 122.820 -0.035 0.000 1.930 614 A HA -0.056 4.247 4.320 -0.029 0.000 0.217 614 A C 1.997 179.550 177.584 -0.052 0.000 1.175 614 A CA 1.554 53.567 52.037 -0.039 0.000 0.627 614 A CB -0.891 18.084 19.000 -0.041 0.000 0.815 614 A HN 0.555 nan 8.150 nan 0.000 0.443 615 D N 0.097 120.455 120.400 -0.070 0.000 2.087 615 D HA -0.155 4.467 4.640 -0.029 0.000 0.192 615 D C 1.949 178.217 176.300 -0.053 0.000 0.993 615 D CA 1.041 54.983 54.000 -0.096 0.000 0.828 615 D CB -0.486 40.244 40.800 -0.117 0.000 0.968 615 D HN 0.361 nan 8.370 nan 0.000 0.448 616 L N 0.225 121.429 121.223 -0.032 0.000 2.013 616 L HA -0.219 4.104 4.340 -0.029 0.000 0.212 616 L C 2.552 179.420 176.870 -0.003 0.000 1.073 616 L CA 0.913 55.747 54.840 -0.010 0.000 0.753 616 L CB -0.294 41.759 42.059 -0.011 0.000 0.890 616 L HN 0.103 nan 8.230 nan 0.000 0.432 617 L N -0.786 120.431 121.223 -0.010 0.000 2.012 617 L HA -0.235 4.088 4.340 -0.029 0.000 0.210 617 L C 2.746 179.617 176.870 0.002 0.000 1.073 617 L CA 1.503 56.340 54.840 -0.004 0.000 0.748 617 L CB -0.590 41.464 42.059 -0.009 0.000 0.891 617 L HN 0.266 nan 8.230 nan 0.000 0.431 618 A N -0.345 122.473 122.820 -0.003 0.000 1.930 618 A HA -0.125 4.178 4.320 -0.029 0.000 0.217 618 A C 2.205 179.808 177.584 0.033 0.000 1.175 618 A CA 1.281 53.324 52.037 0.009 0.000 0.627 618 A CB -0.575 18.422 19.000 -0.006 0.000 0.815 618 A HN 0.347 nan 8.150 nan 0.000 0.443 619 I N -0.306 120.285 120.570 0.036 0.000 2.133 619 I HA -0.250 3.902 4.170 -0.029 0.000 0.238 619 I C 2.355 178.503 176.117 0.052 0.000 1.074 619 I CA 1.246 62.588 61.300 0.069 0.000 1.342 619 I CB -0.395 37.649 38.000 0.073 0.000 1.053 619 I HN 0.266 nan 8.210 nan 0.000 0.404 620 L N 0.726 121.971 121.223 0.036 0.000 2.127 620 L HA -0.252 4.071 4.340 -0.029 0.000 0.211 620 L C 2.595 179.479 176.870 0.024 0.000 1.089 620 L CA 1.507 56.366 54.840 0.031 0.000 0.757 620 L CB -0.647 41.427 42.059 0.025 0.000 0.899 620 L HN 0.296 nan 8.230 nan 0.000 0.434 621 K N 0.672 121.084 120.400 0.021 0.000 2.057 621 K HA -0.141 4.161 4.320 -0.029 0.000 0.206 621 K C 2.118 178.728 176.600 0.016 0.000 1.050 621 K CA 1.378 57.675 56.287 0.016 0.000 0.935 621 K CB -0.125 32.383 32.500 0.014 0.000 0.715 621 K HN 0.194 nan 8.250 nan 0.000 0.439 622 A N 1.152 123.987 122.820 0.025 0.000 1.929 622 A HA -0.016 4.287 4.320 -0.029 0.000 0.216 622 A C 2.122 179.713 177.584 0.011 0.000 1.176 622 A CA 1.086 53.137 52.037 0.024 0.000 0.628 622 A CB -0.525 18.501 19.000 0.043 0.000 0.816 622 A HN 0.322 nan 8.150 nan 0.000 0.444 623 L N -0.797 120.434 121.223 0.014 0.000 2.005 623 L HA -0.189 4.134 4.340 -0.029 0.000 0.207 623 L C 2.604 179.459 176.870 -0.026 0.000 1.072 623 L CA 1.956 56.793 54.840 -0.004 0.000 0.744 623 L CB -0.499 41.567 42.059 0.011 0.000 0.895 623 L HN 0.421 nan 8.230 nan 0.000 0.433 624 K N 0.546 120.939 120.400 -0.011 0.000 2.059 624 K HA -0.246 4.056 4.320 -0.029 0.000 0.212 624 K C 2.053 178.639 176.600 -0.024 0.000 1.050 624 K CA 1.748 58.026 56.287 -0.015 0.000 0.927 624 K CB -0.302 32.202 32.500 0.006 0.000 0.714 624 K HN 0.276 nan 8.250 nan 0.000 0.447 625 A N 0.699 123.511 122.820 -0.014 0.000 1.958 625 A HA -0.199 4.104 4.320 -0.029 0.000 0.221 625 A C 1.705 179.274 177.584 -0.025 0.000 1.178 625 A CA 1.997 54.026 52.037 -0.014 0.000 0.642 625 A CB -0.409 18.588 19.000 -0.005 0.000 0.816 625 A HN 0.219 nan 8.150 nan 0.000 0.453 626 K N -1.758 118.622 120.400 -0.034 0.000 2.393 626 K HA 0.217 4.520 4.320 -0.029 0.000 0.193 626 K C 1.110 177.663 176.600 -0.078 0.000 1.026 626 K CA 0.632 56.892 56.287 -0.045 0.000 1.064 626 K CB -0.312 32.166 32.500 -0.036 0.000 0.833 626 K HN 0.888 nan 8.250 nan 0.000 0.521 627 G N 1.122 109.860 108.800 -0.104 0.000 2.147 627 G HA2 -0.226 3.717 3.960 -0.029 0.000 0.244 627 G HA3 -0.226 3.717 3.960 -0.029 0.000 0.244 627 G C 0.017 174.715 174.900 -0.336 0.000 1.005 627 G CA 0.244 45.237 45.100 -0.178 0.000 0.713 627 G HN 0.096 nan 8.290 nan 0.000 0.515 628 V N 0.654 120.416 119.914 -0.253 0.000 2.546 628 V HA 0.511 4.613 4.120 -0.029 0.000 0.284 628 V C 0.733 176.666 176.094 -0.269 0.000 1.050 628 V CA -0.621 61.526 62.300 -0.255 0.000 0.981 628 V CB 1.166 32.933 31.823 -0.095 0.000 0.990 628 V HN 0.438 nan 8.190 nan 0.000 0.474 629 H N 1.603 120.688 119.070 0.026 0.000 2.483 629 H HA 0.745 5.283 4.556 -0.029 0.000 0.338 629 H C 0.165 175.517 175.328 0.039 0.000 1.152 629 H CA -0.048 56.017 56.048 0.030 0.000 1.264 629 H CB 1.366 31.148 29.762 0.032 0.000 1.510 629 H HN 0.851 nan 8.280 nan 0.000 0.530 630 A N 1.817 124.739 122.820 0.171 0.000 2.355 630 A HA 0.542 4.845 4.320 -0.029 0.000 0.324 630 A C -0.866 176.780 177.584 0.103 0.000 1.117 630 A CA -0.977 51.128 52.037 0.114 0.000 0.785 630 A CB 0.854 19.902 19.000 0.080 0.000 1.254 630 A HN 0.809 nan 8.150 nan 0.000 0.453 631 K N 2.202 122.657 120.400 0.092 0.000 2.426 631 K HA 0.678 4.980 4.320 -0.029 0.000 0.254 631 K C -1.713 174.923 176.600 0.061 0.000 0.936 631 K CA -0.509 55.824 56.287 0.076 0.000 0.801 631 K CB 1.438 33.990 32.500 0.088 0.000 1.139 631 K HN 0.505 nan 8.250 nan 0.000 0.424 632 L N 4.345 125.594 121.223 0.043 0.000 2.260 632 L HA 0.318 4.641 4.340 -0.029 0.000 0.289 632 L C -0.830 176.054 176.870 0.024 0.000 1.057 632 L CA -1.088 53.771 54.840 0.031 0.000 0.811 632 L CB 0.542 42.608 42.059 0.013 0.000 1.184 632 L HN 0.494 nan 8.230 nan 0.000 0.429 633 L N 4.400 125.646 121.223 0.038 0.000 2.334 633 L HA 0.596 4.918 4.340 -0.029 0.000 0.273 633 L C -0.454 176.367 176.870 -0.082 0.000 1.013 633 L CA -0.339 54.492 54.840 -0.015 0.000 0.816 633 L CB 1.457 43.547 42.059 0.052 0.000 1.278 633 L HN 0.336 nan 8.230 nan 0.000 0.431 634 Y N -0.605 119.293 120.300 -0.670 0.000 2.967 634 Y HA 0.321 4.853 4.550 -0.029 0.000 0.311 634 Y C 0.872 176.013 175.900 -1.265 0.000 1.555 634 Y CA -0.480 57.075 58.100 -0.907 0.000 1.084 634 Y CB 1.353 39.615 38.460 -0.331 0.000 1.508 634 Y HN 0.537 nan 8.280 nan 0.000 0.457 635 S N 0.423 115.289 115.700 -1.390 0.000 2.575 635 S HA 0.310 4.762 4.470 -0.029 0.000 0.215 635 S C -0.155 174.191 174.600 -0.425 0.000 0.966 635 S CA 0.137 57.849 58.200 -0.814 0.000 0.911 635 S CB -0.122 62.703 63.200 -0.625 0.000 0.780 635 S HN 0.571 nan 8.310 nan 0.000 0.514 636 R N -1.037 119.290 120.500 -0.288 0.000 2.734 636 R HA 0.616 4.939 4.340 -0.029 0.000 0.271 636 R C -0.708 175.589 176.300 -0.004 0.000 1.021 636 R CA -1.098 54.948 56.100 -0.090 0.000 0.893 636 R CB 0.385 30.666 30.300 -0.032 0.000 1.244 636 R HN -0.105 nan 8.270 nan 0.000 0.464 637 M N 0.462 120.059 119.600 -0.006 0.000 2.043 637 M HA 0.394 4.857 4.480 -0.029 0.000 0.272 637 M C 1.188 177.504 176.300 0.027 0.000 1.279 637 M CA 1.453 56.757 55.300 0.007 0.000 1.109 637 M CB 0.142 32.740 32.600 -0.003 0.000 1.377 637 M HN 1.040 nan 8.290 nan 0.000 0.469 638 G N 0.708 109.515 108.800 0.012 0.000 2.846 638 G HA2 -0.113 3.829 3.960 -0.029 0.000 0.225 638 G HA3 -0.113 3.829 3.960 -0.029 0.000 0.225 638 G C -0.974 173.918 174.900 -0.013 0.000 1.285 638 G CA 0.040 45.143 45.100 0.005 0.000 1.055 638 G HN 0.869 nan 8.290 nan 0.000 0.579 639 E N -1.013 119.169 120.200 -0.030 0.000 2.392 639 E HA 0.620 4.952 4.350 -0.029 0.000 0.279 639 E C -0.507 176.012 176.600 -0.135 0.000 0.964 639 E CA -0.708 55.649 56.400 -0.072 0.000 0.777 639 E CB 2.509 32.178 29.700 -0.051 0.000 1.249 639 E HN 1.584 nan 8.360 nan 0.000 0.449 640 V N -1.618 118.170 119.914 -0.209 0.000 3.103 640 V HA 0.794 4.897 4.120 -0.029 0.000 0.318 640 V C -0.441 175.564 176.094 -0.149 0.000 1.114 640 V CA -0.661 61.490 62.300 -0.249 0.000 1.020 640 V CB 1.722 33.264 31.823 -0.469 0.000 1.085 640 V HN 0.803 nan 8.190 nan 0.000 0.446 641 T N 1.472 115.955 114.554 -0.118 0.000 2.807 641 T HA 0.821 5.153 4.350 -0.029 0.000 0.279 641 T C 0.116 174.774 174.700 -0.070 0.000 0.993 641 T CA 0.097 62.151 62.100 -0.076 0.000 0.970 641 T CB 1.299 70.136 68.868 -0.052 0.000 0.950 641 T HN 1.387 nan 8.240 nan 0.000 0.441 642 A N 2.296 125.082 122.820 -0.057 0.000 2.313 642 A HA 0.425 4.727 4.320 -0.029 0.000 0.261 642 A C 1.533 179.096 177.584 -0.035 0.000 1.090 642 A CA -0.505 51.504 52.037 -0.046 0.000 0.807 642 A CB 0.038 19.015 19.000 -0.039 0.000 1.055 642 A HN 0.941 nan 8.150 nan 0.000 0.492 643 D N 0.525 120.907 120.400 -0.030 0.000 2.203 643 D HA -0.227 4.395 4.640 -0.029 0.000 0.199 643 D C 0.497 176.784 176.300 -0.021 0.000 0.997 643 D CA 1.783 55.769 54.000 -0.024 0.000 0.863 643 D CB -0.287 40.500 40.800 -0.022 0.000 0.928 643 D HN 0.606 nan 8.370 nan 0.000 0.458 644 D N -1.193 119.194 120.400 -0.022 0.000 2.587 644 D HA 0.256 4.879 4.640 -0.029 0.000 0.233 644 D C 1.446 177.735 176.300 -0.019 0.000 1.213 644 D CA -0.065 53.924 54.000 -0.019 0.000 0.827 644 D CB -0.431 40.358 40.800 -0.018 0.000 1.006 644 D HN 0.333 nan 8.370 nan 0.000 0.490 645 G N 0.353 109.140 108.800 -0.022 0.000 2.187 645 G HA2 -0.295 3.648 3.960 -0.029 0.000 0.261 645 G HA3 -0.295 3.648 3.960 -0.029 0.000 0.261 645 G C 0.340 175.226 174.900 -0.023 0.000 1.000 645 G CA 0.615 45.702 45.100 -0.022 0.000 0.718 645 G HN 0.462 nan 8.290 nan 0.000 0.519 646 T N 0.573 115.111 114.554 -0.025 0.000 2.814 646 T HA 0.412 4.745 4.350 -0.029 0.000 0.297 646 T C 0.646 175.326 174.700 -0.033 0.000 0.956 646 T CA -0.252 61.833 62.100 -0.025 0.000 1.123 646 T CB 2.158 71.012 68.868 -0.024 0.000 0.902 646 T HN 0.298 nan 8.240 nan 0.000 0.528 647 V N 6.133 126.029 119.914 -0.030 0.000 2.389 647 V HA 0.223 4.325 4.120 -0.029 0.000 0.264 647 V C 0.167 176.238 176.094 -0.039 0.000 1.049 647 V CA -0.421 61.856 62.300 -0.037 0.000 0.932 647 V CB 0.064 31.869 31.823 -0.029 0.000 1.011 647 V HN 0.667 nan 8.190 nan 0.000 0.475 648 L N 8.925 130.114 121.223 -0.055 0.000 2.272 648 L HA 0.485 4.808 4.340 -0.029 0.000 0.289 648 L C -2.222 174.612 176.870 -0.059 0.000 1.032 648 L CA -1.734 53.073 54.840 -0.055 0.000 0.810 648 L CB 1.379 43.397 42.059 -0.069 0.000 1.205 648 L HN 0.402 nan 8.230 nan 0.000 0.422 649 P HA 0.289 nan 4.420 nan 0.000 0.280 649 P C -0.623 176.660 177.300 -0.029 0.000 1.244 649 P CA -0.189 62.893 63.100 -0.030 0.000 0.784 649 P CB 1.222 32.913 31.700 -0.014 0.000 0.913 650 I N 2.114 122.668 120.570 -0.027 0.000 2.353 650 I HA 0.267 4.420 4.170 -0.029 0.000 0.293 650 I C 1.548 177.662 176.117 -0.005 0.000 0.992 650 I CA -0.372 60.918 61.300 -0.017 0.000 1.268 650 I CB 1.449 39.444 38.000 -0.008 0.000 1.387 650 I HN 0.356 nan 8.210 nan 0.000 0.478 651 A N 5.028 127.850 122.820 0.003 0.000 1.903 651 A HA 0.603 4.906 4.320 -0.029 0.000 0.213 651 A C 1.007 178.597 177.584 0.011 0.000 1.185 651 A CA 1.274 53.319 52.037 0.012 0.000 0.628 651 A CB -0.002 19.013 19.000 0.026 0.000 0.830 651 A HN 0.798 nan 8.150 nan 0.000 0.446 652 A N -2.004 120.818 122.820 0.003 0.000 2.581 652 A HA 0.600 4.903 4.320 -0.029 0.000 0.290 652 A C -0.023 177.526 177.584 -0.059 0.000 1.119 652 A CA 0.123 52.158 52.037 -0.004 0.000 0.670 652 A CB -0.142 18.879 19.000 0.034 0.000 1.280 652 A HN 0.708 nan 8.150 nan 0.000 0.425 653 T N -1.801 112.712 114.554 -0.069 0.000 2.847 653 T HA 0.559 4.892 4.350 -0.029 0.000 0.279 653 T C 0.854 175.533 174.700 -0.033 0.000 0.984 653 T CA -0.100 61.894 62.100 -0.176 0.000 0.988 653 T CB 0.197 68.986 68.868 -0.131 0.000 1.040 653 T HN 0.418 nan 8.240 nan 0.000 0.528 654 F N 0.394 120.368 119.950 0.041 0.000 2.134 654 F HA 0.008 4.517 4.527 -0.029 0.000 0.299 654 F C 2.921 178.859 175.800 0.230 0.000 1.097 654 F CA 0.831 58.901 58.000 0.117 0.000 1.264 654 F CB -0.436 38.599 39.000 0.059 0.000 1.001 654 F HN 0.700 nan 8.300 nan 0.000 0.479 655 A N -0.038 122.960 122.820 0.297 0.000 2.021 655 A HA 0.104 4.406 4.320 -0.029 0.000 0.216 655 A C 2.340 179.998 177.584 0.124 0.000 1.163 655 A CA 1.274 53.422 52.037 0.186 0.000 0.676 655 A CB -1.179 17.889 19.000 0.112 0.000 0.818 655 A HN 0.376 nan 8.150 nan 0.000 0.453 656 G N -1.110 107.751 108.800 0.102 0.000 2.551 656 G HA2 0.346 4.288 3.960 -0.029 0.000 0.216 656 G HA3 0.346 4.288 3.960 -0.029 0.000 0.216 656 G C 0.602 175.555 174.900 0.088 0.000 1.137 656 G CA 0.857 45.998 45.100 0.068 0.000 0.798 656 G HN 0.962 nan 8.290 nan 0.000 0.536 657 A N 1.341 124.250 122.820 0.148 0.000 3.159 657 A HA 0.658 4.961 4.320 -0.029 0.000 0.330 657 A C -2.485 175.257 177.584 0.263 0.000 1.032 657 A CA -1.150 50.988 52.037 0.169 0.000 0.841 657 A CB 1.124 20.221 19.000 0.162 0.000 1.093 657 A HN 0.134 nan 8.150 nan 0.000 0.478 658 P HA 0.013 nan 4.420 nan 0.000 0.271 658 P C 1.208 178.356 177.300 -0.253 0.000 1.244 658 P CA 0.407 63.476 63.100 -0.052 0.000 0.793 658 P CB 0.818 32.472 31.700 -0.077 0.000 0.984 659 S N 0.598 115.780 115.700 -0.862 0.000 2.442 659 S HA -0.136 4.317 4.470 -0.029 0.000 0.236 659 S C 1.969 176.424 174.600 -0.242 0.000 1.007 659 S CA 0.799 58.617 58.200 -0.636 0.000 0.965 659 S CB -1.297 61.404 63.200 -0.832 0.000 0.773 659 S HN 0.368 nan 8.310 nan 0.000 0.504 660 L N 1.853 122.941 121.223 -0.224 0.000 2.137 660 L HA -0.124 4.198 4.340 -0.029 0.000 0.213 660 L C 2.995 179.715 176.870 -0.250 0.000 1.085 660 L CA 1.741 56.454 54.840 -0.212 0.000 0.760 660 L CB -1.377 40.539 42.059 -0.238 0.000 0.893 660 L HN 0.654 nan 8.230 nan 0.000 0.434 661 T N -3.316 111.160 114.554 -0.131 0.000 3.129 661 T HA 0.191 4.523 4.350 -0.029 0.000 0.251 661 T C 0.386 175.181 174.700 0.159 0.000 1.117 661 T CA 0.194 62.304 62.100 0.015 0.000 1.034 661 T CB -0.363 68.581 68.868 0.126 0.000 0.968 661 T HN 0.157 nan 8.240 nan 0.000 0.526 662 V N -2.544 117.427 119.914 0.096 0.000 3.113 662 V HA 0.564 4.666 4.120 -0.029 0.000 0.316 662 V C 0.032 176.177 176.094 0.085 0.000 1.125 662 V CA -0.951 61.427 62.300 0.130 0.000 1.026 662 V CB 2.121 34.037 31.823 0.155 0.000 1.080 662 V HN -0.005 nan 8.190 nan 0.000 0.444 663 D N 1.045 121.499 120.400 0.090 0.000 2.327 663 D HA 0.421 5.044 4.640 -0.029 0.000 0.205 663 D C 0.604 176.899 176.300 -0.008 0.000 0.989 663 D CA 1.602 55.631 54.000 0.049 0.000 0.873 663 D CB 1.338 42.187 40.800 0.081 0.000 0.955 663 D HN 0.950 nan 8.370 nan 0.000 0.515 664 A N 0.139 122.970 122.820 0.019 0.000 2.610 664 A HA 0.552 4.855 4.320 -0.029 0.000 0.291 664 A C -1.489 176.122 177.584 0.044 0.000 1.086 664 A CA -0.558 51.477 52.037 -0.004 0.000 0.677 664 A CB 1.737 20.723 19.000 -0.025 0.000 1.278 664 A HN -0.108 nan 8.150 nan 0.000 0.414 665 V N 1.178 121.112 119.914 0.033 0.000 2.483 665 V HA 0.503 4.606 4.120 -0.029 0.000 0.297 665 V C -0.700 175.409 176.094 0.026 0.000 1.027 665 V CA -0.137 62.196 62.300 0.055 0.000 0.855 665 V CB 1.253 33.129 31.823 0.090 0.000 0.995 665 V HN 0.674 nan 8.190 nan 0.000 0.424 666 I N 4.564 125.159 120.570 0.041 0.000 2.404 666 I HA 0.534 4.687 4.170 -0.029 0.000 0.293 666 I C -0.583 175.572 176.117 0.063 0.000 0.992 666 I CA -0.911 60.438 61.300 0.083 0.000 1.149 666 I CB 2.078 40.159 38.000 0.135 0.000 1.315 666 I HN 0.311 nan 8.210 nan 0.000 0.446 667 V N 7.711 127.677 119.914 0.087 0.000 2.334 667 V HA 0.372 4.474 4.120 -0.029 0.000 0.281 667 V C -2.112 174.044 176.094 0.103 0.000 1.016 667 V CA -1.609 60.735 62.300 0.073 0.000 0.832 667 V CB 1.027 32.883 31.823 0.055 0.000 0.999 667 V HN 0.572 nan 8.190 nan 0.000 0.439 668 P HA 0.275 nan 4.420 nan 0.000 0.278 668 P C 0.128 177.443 177.300 0.025 0.000 1.266 668 P CA -0.455 62.656 63.100 0.019 0.000 0.807 668 P CB 1.175 32.878 31.700 0.005 0.000 1.094 669 C N -0.330 118.958 119.300 -0.019 0.000 2.640 669 C HA 0.689 5.132 4.460 -0.029 0.000 0.330 669 C C 1.233 176.223 174.990 -0.000 0.000 1.416 669 C CA 1.737 60.747 59.018 -0.013 0.000 2.396 669 C CB -0.871 26.841 27.740 -0.046 0.000 2.330 669 C HN 0.949 nan 8.230 nan 0.000 0.704 670 G N 1.622 110.420 108.800 -0.003 0.000 2.250 670 G HA2 -0.032 3.911 3.960 -0.029 0.000 0.252 670 G HA3 -0.032 3.911 3.960 -0.029 0.000 0.252 670 G C -0.791 174.113 174.900 0.007 0.000 1.325 670 G CA 0.009 45.110 45.100 0.002 0.000 1.091 670 G HN 0.971 nan 8.290 nan 0.000 0.476 671 N N 1.579 120.289 118.700 0.018 0.000 2.819 671 N HA 0.178 4.901 4.740 -0.029 0.000 0.284 671 N C 1.590 177.124 175.510 0.039 0.000 1.196 671 N CA -0.407 52.656 53.050 0.022 0.000 1.114 671 N CB -0.300 38.203 38.487 0.027 0.000 1.437 671 N HN 0.419 nan 8.380 nan 0.000 0.518 672 I N 1.078 121.655 120.570 0.011 0.000 3.176 672 I HA -0.106 4.046 4.170 -0.029 0.000 0.275 672 I C 1.830 177.924 176.117 -0.039 0.000 1.298 672 I CA 0.403 61.700 61.300 -0.004 0.000 1.445 672 I CB -1.428 36.526 38.000 -0.076 0.000 1.075 672 I HN 0.463 nan 8.210 nan 0.000 0.482 673 A N 0.542 123.347 122.820 -0.024 0.000 2.014 673 A HA -0.214 4.088 4.320 -0.029 0.000 0.218 673 A C 2.052 179.648 177.584 0.021 0.000 1.163 673 A CA 1.526 53.548 52.037 -0.025 0.000 0.652 673 A CB -0.511 18.477 19.000 -0.019 0.000 0.808 673 A HN 0.377 nan 8.150 nan 0.000 0.449 674 D N 0.250 120.689 120.400 0.064 0.000 2.218 674 D HA -0.119 4.503 4.640 -0.029 0.000 0.204 674 D C 1.474 177.858 176.300 0.139 0.000 0.976 674 D CA 1.659 55.726 54.000 0.112 0.000 0.853 674 D CB -0.141 40.760 40.800 0.168 0.000 0.939 674 D HN 0.636 nan 8.370 nan 0.000 0.481 675 I N -4.427 116.236 120.570 0.154 0.000 4.456 675 I HA 0.466 4.619 4.170 -0.029 0.000 0.329 675 I C 1.843 178.091 176.117 0.218 0.000 1.313 675 I CA -0.104 61.325 61.300 0.215 0.000 1.205 675 I CB 0.013 38.201 38.000 0.313 0.000 1.179 675 I HN -0.094 nan 8.210 nan 0.000 0.419 676 A N 1.122 123.963 122.820 0.035 0.000 2.172 676 A HA -0.097 4.206 4.320 -0.029 0.000 0.216 676 A C 1.282 178.858 177.584 -0.014 0.000 1.154 676 A CA 1.799 53.728 52.037 -0.181 0.000 0.701 676 A CB -0.542 18.207 19.000 -0.418 0.000 0.789 676 A HN 0.470 nan 8.150 nan 0.000 0.465 677 D N -1.070 119.350 120.400 0.034 0.000 2.433 677 D HA 0.042 4.665 4.640 -0.029 0.000 0.211 677 D C 0.186 176.525 176.300 0.065 0.000 1.114 677 D CA -0.183 53.840 54.000 0.039 0.000 0.837 677 D CB -0.064 40.745 40.800 0.015 0.000 0.984 677 D HN 0.282 nan 8.370 nan 0.000 0.505 678 N N 1.011 119.769 118.700 0.096 0.000 2.406 678 N HA 0.007 4.730 4.740 -0.029 0.000 0.265 678 N C 1.397 176.955 175.510 0.081 0.000 1.203 678 N CA 0.154 53.259 53.050 0.092 0.000 0.945 678 N CB 1.219 39.779 38.487 0.122 0.000 1.165 678 N HN 0.088 nan 8.380 nan 0.000 0.485 679 G N 3.295 112.136 108.800 0.068 0.000 2.475 679 G HA2 -0.268 3.675 3.960 -0.029 0.000 0.220 679 G HA3 -0.268 3.675 3.960 -0.029 0.000 0.220 679 G C 0.999 175.948 174.900 0.081 0.000 1.125 679 G CA 0.668 45.807 45.100 0.065 0.000 0.755 679 G HN 0.644 nan 8.290 nan 0.000 0.565 680 D N 0.816 121.268 120.400 0.087 0.000 2.162 680 D HA 0.023 4.645 4.640 -0.029 0.000 0.203 680 D C 2.870 179.166 176.300 -0.008 0.000 0.967 680 D CA 0.962 55.040 54.000 0.129 0.000 0.840 680 D CB -0.216 40.719 40.800 0.224 0.000 0.972 680 D HN 0.329 nan 8.370 nan 0.000 0.482 681 A N 1.756 124.433 122.820 -0.239 0.000 1.908 681 A HA -0.212 4.091 4.320 -0.029 0.000 0.218 681 A C 2.037 179.372 177.584 -0.416 0.000 1.181 681 A CA 1.356 53.014 52.037 -0.632 0.000 0.627 681 A CB -0.441 18.236 19.000 -0.537 0.000 0.818 681 A HN 0.105 nan 8.150 nan 0.000 0.445 682 N N -1.544 117.072 118.700 -0.141 0.000 2.142 682 N HA -0.159 4.564 4.740 -0.029 0.000 0.186 682 N C 1.619 177.093 175.510 -0.059 0.000 1.023 682 N CA 1.653 54.662 53.050 -0.070 0.000 0.852 682 N CB -0.597 37.942 38.487 0.085 0.000 0.998 682 N HN 0.686 nan 8.380 nan 0.000 0.424 683 Y N 0.227 120.478 120.300 -0.082 0.000 2.224 683 Y HA -0.280 4.252 4.550 -0.029 0.000 0.289 683 Y C 2.351 178.195 175.900 -0.094 0.000 1.146 683 Y CA 1.325 59.381 58.100 -0.074 0.000 1.182 683 Y CB -0.324 38.105 38.460 -0.051 0.000 0.983 683 Y HN 0.036 nan 8.280 nan 0.000 0.524 684 Y N 0.284 120.443 120.300 -0.236 0.000 2.151 684 Y HA -0.315 4.218 4.550 -0.029 0.000 0.284 684 Y C 2.046 177.735 175.900 -0.351 0.000 1.166 684 Y CA 2.120 60.051 58.100 -0.282 0.000 1.163 684 Y CB -0.418 37.873 38.460 -0.281 0.000 0.974 684 Y HN 0.127 nan 8.280 nan 0.000 0.511 685 L N -1.346 119.777 121.223 -0.166 0.000 2.131 685 L HA -0.198 4.125 4.340 -0.029 0.000 0.206 685 L C 2.376 179.118 176.870 -0.214 0.000 1.087 685 L CA 0.995 55.723 54.840 -0.187 0.000 0.767 685 L CB -0.423 41.470 42.059 -0.276 0.000 0.917 685 L HN 0.253 nan 8.230 nan 0.000 0.441 686 M N -0.512 118.913 119.600 -0.291 0.000 2.117 686 M HA -0.227 4.236 4.480 -0.029 0.000 0.262 686 M C 2.244 178.316 176.300 -0.380 0.000 1.065 686 M CA 1.718 56.850 55.300 -0.281 0.000 1.114 686 M CB -0.277 32.168 32.600 -0.258 0.000 1.361 686 M HN 0.215 nan 8.290 nan 0.000 0.408 687 E N 0.455 120.249 120.200 -0.676 0.000 2.047 687 E HA -0.175 4.157 4.350 -0.029 0.000 0.191 687 E C 1.994 178.224 176.600 -0.617 0.000 0.987 687 E CA 1.254 57.182 56.400 -0.786 0.000 0.799 687 E CB -0.008 29.145 29.700 -0.912 0.000 0.752 687 E HN 0.460 nan 8.360 nan 0.000 0.449 688 A N 0.286 122.866 122.820 -0.401 0.000 1.940 688 A HA -0.217 4.085 4.320 -0.029 0.000 0.219 688 A C 2.042 179.523 177.584 -0.173 0.000 1.176 688 A CA 1.555 53.452 52.037 -0.234 0.000 0.631 688 A CB -0.908 18.014 19.000 -0.130 0.000 0.814 688 A HN 0.577 nan 8.150 nan 0.000 0.446 689 Y N 0.498 120.639 120.300 -0.265 0.000 2.133 689 Y HA -0.197 4.336 4.550 -0.029 0.000 0.287 689 Y C 2.384 178.163 175.900 -0.203 0.000 1.134 689 Y CA 2.322 60.299 58.100 -0.205 0.000 1.133 689 Y CB -0.310 38.044 38.460 -0.176 0.000 0.987 689 Y HN 0.324 nan 8.280 nan 0.000 0.502 690 K N -0.615 119.675 120.400 -0.183 0.000 2.113 690 K HA -0.258 4.045 4.320 -0.029 0.000 0.208 690 K C 1.123 177.621 176.600 -0.171 0.000 1.047 690 K CA 2.247 58.395 56.287 -0.231 0.000 0.928 690 K CB -0.466 31.836 32.500 -0.330 0.000 0.716 690 K HN 0.607 nan 8.250 nan 0.000 0.446 691 H N -0.028 118.922 119.070 -0.200 0.000 2.524 691 H HA 0.195 4.734 4.556 -0.028 0.000 0.280 691 H C -0.086 175.084 175.328 -0.264 0.000 1.018 691 H CA 0.214 56.142 56.048 -0.200 0.000 1.165 691 H CB 0.160 29.803 29.762 -0.198 0.000 1.411 691 H HN 0.114 nan 8.280 nan 0.000 0.569 692 L N -0.119 120.962 121.223 -0.237 0.000 4.291 692 L HA -0.273 4.050 4.340 -0.029 0.000 0.413 692 L C -0.303 176.314 176.870 -0.421 0.000 1.162 692 L CA 0.572 55.182 54.840 -0.384 0.000 0.961 692 L CB -1.806 40.011 42.059 -0.402 0.000 2.095 692 L HN 0.265 nan 8.230 nan 0.000 0.838 693 K N 0.998 121.217 120.400 -0.301 0.000 2.218 693 K HA 0.426 4.728 4.320 -0.029 0.000 0.276 693 K C -2.110 174.362 176.600 -0.215 0.000 1.022 693 K CA -1.711 54.419 56.287 -0.260 0.000 0.946 693 K CB 0.638 33.039 32.500 -0.165 0.000 1.000 693 K HN -0.200 nan 8.250 nan 0.000 0.468 694 P HA 0.037 nan 4.420 nan 0.000 0.267 694 P C -0.767 176.472 177.300 -0.102 0.000 1.205 694 P CA 0.421 63.425 63.100 -0.160 0.000 0.765 694 P CB 0.406 32.011 31.700 -0.158 0.000 0.828 695 I N 2.222 122.746 120.570 -0.078 0.000 2.509 695 I HA 0.623 4.775 4.170 -0.029 0.000 0.293 695 I C -0.149 175.931 176.117 -0.063 0.000 1.020 695 I CA -0.854 60.422 61.300 -0.040 0.000 1.088 695 I CB 2.110 40.112 38.000 0.004 0.000 1.267 695 I HN 0.266 nan 8.210 nan 0.000 0.430 696 A N 7.653 130.448 122.820 -0.042 0.000 2.343 696 A HA 0.843 5.146 4.320 -0.029 0.000 0.308 696 A C -1.103 176.594 177.584 0.190 0.000 1.092 696 A CA -0.442 51.558 52.037 -0.062 0.000 0.751 696 A CB 1.022 19.846 19.000 -0.294 0.000 1.203 696 A HN 0.665 nan 8.150 nan 0.000 0.452 697 L N 2.229 123.613 121.223 0.268 0.000 2.349 697 L HA 0.711 5.033 4.340 -0.029 0.000 0.278 697 L C 0.257 177.335 176.870 0.347 0.000 0.996 697 L CA -0.574 54.429 54.840 0.273 0.000 0.825 697 L CB 2.005 44.166 42.059 0.171 0.000 1.243 697 L HN 0.792 nan 8.230 nan 0.000 0.412 698 A N 2.497 125.414 122.820 0.162 0.000 2.288 698 A HA 0.786 5.089 4.320 -0.029 0.000 0.320 698 A C 0.676 178.237 177.584 -0.038 0.000 1.217 698 A CA 0.306 52.297 52.037 -0.076 0.000 0.840 698 A CB 1.101 19.864 19.000 -0.397 0.000 1.179 698 A HN 0.987 nan 8.150 nan 0.000 0.504 699 G N 2.609 111.385 108.800 -0.039 0.000 2.634 699 G HA2 -0.382 3.560 3.960 -0.029 0.000 0.318 699 G HA3 -0.382 3.560 3.960 -0.029 0.000 0.318 699 G C 0.632 175.526 174.900 -0.010 0.000 1.207 699 G CA 1.110 46.192 45.100 -0.030 0.000 0.987 699 G HN 0.730 nan 8.290 nan 0.000 0.547 700 D N 1.684 122.072 120.400 -0.019 0.000 2.392 700 D HA 0.358 4.980 4.640 -0.029 0.000 0.228 700 D C 2.452 178.739 176.300 -0.021 0.000 1.003 700 D CA 1.549 55.532 54.000 -0.028 0.000 0.917 700 D CB -0.429 40.349 40.800 -0.036 0.000 0.890 700 D HN 0.742 nan 8.370 nan 0.000 0.532 701 A N 0.185 123.029 122.820 0.039 0.000 2.014 701 A HA -0.120 4.183 4.320 -0.029 0.000 0.218 701 A C 1.989 179.654 177.584 0.134 0.000 1.163 701 A CA 0.671 52.790 52.037 0.137 0.000 0.652 701 A CB -0.203 18.899 19.000 0.169 0.000 0.808 701 A HN 0.137 nan 8.150 nan 0.000 0.449 702 R N -0.383 120.157 120.500 0.065 0.000 2.293 702 R HA -0.087 4.235 4.340 -0.029 0.000 0.219 702 R C 1.700 177.998 176.300 -0.003 0.000 1.091 702 R CA 1.184 57.314 56.100 0.050 0.000 1.004 702 R CB -0.194 30.128 30.300 0.036 0.000 0.865 702 R HN 0.412 nan 8.270 nan 0.000 0.469 703 K N 0.079 120.428 120.400 -0.085 0.000 2.152 703 K HA -0.113 4.189 4.320 -0.029 0.000 0.206 703 K C 1.307 177.793 176.600 -0.190 0.000 1.048 703 K CA 1.363 57.541 56.287 -0.181 0.000 0.933 703 K CB -0.126 32.196 32.500 -0.297 0.000 0.721 703 K HN 0.133 nan 8.250 nan 0.000 0.447 704 F N 0.983 120.908 119.950 -0.042 0.000 2.269 704 F HA -0.179 4.331 4.527 -0.029 0.000 0.301 704 F C 1.946 177.697 175.800 -0.080 0.000 1.082 704 F CA 0.841 58.804 58.000 -0.061 0.000 1.360 704 F CB -0.041 38.922 39.000 -0.063 0.000 1.041 704 F HN -0.050 nan 8.300 nan 0.000 0.512 705 K N 0.318 120.770 120.400 0.087 0.000 2.189 705 K HA -0.287 4.015 4.320 -0.029 0.000 0.207 705 K C 2.230 178.808 176.600 -0.036 0.000 1.046 705 K CA 1.148 57.435 56.287 0.001 0.000 0.928 705 K CB -0.377 32.120 32.500 -0.005 0.000 0.720 705 K HN 0.301 nan 8.250 nan 0.000 0.458 706 A N 0.566 123.373 122.820 -0.021 0.000 1.883 706 A HA -0.183 4.120 4.320 -0.029 0.000 0.217 706 A C 2.151 179.713 177.584 -0.037 0.000 1.186 706 A CA 2.256 54.274 52.037 -0.033 0.000 0.624 706 A CB -1.019 17.962 19.000 -0.032 0.000 0.822 706 A HN 0.353 nan 8.150 nan 0.000 0.444 707 T N 0.634 115.186 114.554 -0.003 0.000 2.849 707 T HA -0.096 4.237 4.350 -0.029 0.000 0.270 707 T C 1.416 176.053 174.700 -0.105 0.000 1.066 707 T CA 1.537 63.628 62.100 -0.014 0.000 1.130 707 T CB -0.558 68.344 68.868 0.056 0.000 0.864 707 T HN 0.759 nan 8.240 nan 0.000 0.481 708 I N -2.221 118.233 120.570 -0.192 0.000 3.927 708 I HA 0.419 4.572 4.170 -0.029 0.000 0.332 708 I C -0.260 175.610 176.117 -0.411 0.000 1.485 708 I CA -0.724 60.323 61.300 -0.421 0.000 1.131 708 I CB -0.196 37.384 38.000 -0.699 0.000 1.092 708 I HN -0.093 nan 8.210 nan 0.000 0.410 709 K N 2.126 122.403 120.400 -0.204 0.000 3.278 709 K HA -0.135 4.168 4.320 -0.029 0.000 0.270 709 K C -0.349 176.181 176.600 -0.117 0.000 0.955 709 K CA 0.611 56.823 56.287 -0.126 0.000 0.723 709 K CB -1.645 30.805 32.500 -0.084 0.000 1.382 709 K HN 0.570 nan 8.250 nan 0.000 0.461 710 I N 0.897 121.395 120.570 -0.120 0.000 2.365 710 I HA 0.256 4.409 4.170 -0.029 0.000 0.291 710 I C 1.060 177.157 176.117 -0.033 0.000 1.004 710 I CA -0.554 60.703 61.300 -0.070 0.000 1.311 710 I CB 1.378 39.333 38.000 -0.075 0.000 1.401 710 I HN 0.245 nan 8.210 nan 0.000 0.491 711 A N 4.184 126.996 122.820 -0.014 0.000 2.386 711 A HA 0.127 4.430 4.320 -0.029 0.000 0.248 711 A C 0.665 178.246 177.584 -0.004 0.000 1.082 711 A CA -0.236 51.797 52.037 -0.007 0.000 0.789 711 A CB 0.140 19.140 19.000 0.000 0.000 1.025 711 A HN 0.847 nan 8.150 nan 0.000 0.490 712 D N 0.055 120.453 120.400 -0.003 0.000 2.182 712 D HA -0.154 4.468 4.640 -0.029 0.000 0.201 712 D C 1.624 177.927 176.300 0.003 0.000 0.986 712 D CA 2.062 56.061 54.000 -0.001 0.000 0.847 712 D CB -0.057 40.742 40.800 -0.002 0.000 0.942 712 D HN 0.768 nan 8.370 nan 0.000 0.467 713 Q N 0.073 119.876 119.800 0.004 0.000 2.466 713 Q HA 0.271 4.593 4.340 -0.029 0.000 0.210 713 Q C 0.967 176.971 176.000 0.007 0.000 0.961 713 Q CA 0.438 56.244 55.803 0.006 0.000 0.953 713 Q CB 0.163 28.905 28.738 0.005 0.000 1.011 713 Q HN 0.137 nan 8.270 nan 0.000 0.516 714 G N 0.152 108.956 108.800 0.008 0.000 2.660 714 G HA2 -0.181 3.762 3.960 -0.029 0.000 0.247 714 G HA3 -0.181 3.762 3.960 -0.029 0.000 0.247 714 G C -1.273 173.634 174.900 0.011 0.000 1.328 714 G CA -0.378 44.727 45.100 0.009 0.000 0.884 714 G HN 0.294 nan 8.290 nan 0.000 0.531 715 E N -0.494 119.714 120.200 0.012 0.000 2.397 715 E HA 0.283 4.616 4.350 -0.029 0.000 0.293 715 E C -0.559 176.042 176.600 0.002 0.000 0.930 715 E CA -0.696 55.715 56.400 0.019 0.000 0.793 715 E CB 0.944 30.675 29.700 0.052 0.000 1.259 715 E HN 0.497 nan 8.360 nan 0.000 0.406 716 E N 1.385 121.578 120.200 -0.013 0.000 2.585 716 E HA 0.066 4.398 4.350 -0.029 0.000 0.252 716 E C 0.769 177.333 176.600 -0.061 0.000 0.981 716 E CA 1.734 58.111 56.400 -0.038 0.000 0.943 716 E CB 0.854 30.530 29.700 -0.041 0.000 0.923 716 E HN 0.890 nan 8.360 nan 0.000 0.486 717 G N 3.215 111.967 108.800 -0.081 0.000 2.179 717 G HA2 -0.196 3.747 3.960 -0.029 0.000 0.220 717 G HA3 -0.196 3.747 3.960 -0.029 0.000 0.220 717 G C 0.131 174.984 174.900 -0.078 0.000 0.990 717 G CA -0.338 44.695 45.100 -0.112 0.000 0.646 717 G HN 0.418 nan 8.290 nan 0.000 0.517 718 I N 1.783 122.326 120.570 -0.045 0.000 2.382 718 I HA 0.463 4.615 4.170 -0.029 0.000 0.286 718 I C 0.368 176.447 176.117 -0.063 0.000 1.002 718 I CA -1.136 60.146 61.300 -0.030 0.000 1.135 718 I CB 1.423 39.436 38.000 0.021 0.000 1.288 718 I HN -0.119 nan 8.210 nan 0.000 0.448 719 V N 7.101 126.940 119.914 -0.124 0.000 2.465 719 V HA 0.402 4.504 4.120 -0.029 0.000 0.279 719 V C 0.192 176.248 176.094 -0.063 0.000 1.045 719 V CA -0.446 61.729 62.300 -0.208 0.000 0.938 719 V CB 1.241 32.756 31.823 -0.513 0.000 0.986 719 V HN 0.867 nan 8.190 nan 0.000 0.467 720 E N 4.181 124.416 120.200 0.058 0.000 2.311 720 E HA 0.815 5.148 4.350 -0.029 0.000 0.281 720 E C -1.014 175.728 176.600 0.237 0.000 0.905 720 E CA -0.824 55.700 56.400 0.206 0.000 0.778 720 E CB 2.283 32.049 29.700 0.110 0.000 1.240 720 E HN 0.718 nan 8.360 nan 0.000 0.410 721 A N 2.424 125.429 122.820 0.309 0.000 2.583 721 A HA 0.436 4.739 4.320 -0.029 0.000 0.289 721 A C -0.124 177.491 177.584 0.052 0.000 1.151 721 A CA -0.602 51.541 52.037 0.176 0.000 0.695 721 A CB 1.410 20.556 19.000 0.243 0.000 1.290 721 A HN 0.588 nan 8.150 nan 0.000 0.419 722 D N 0.296 120.703 120.400 0.011 0.000 2.123 722 D HA -0.022 4.600 4.640 -0.029 0.000 0.196 722 D C 1.108 177.359 176.300 -0.081 0.000 0.992 722 D CA 2.391 56.375 54.000 -0.026 0.000 0.833 722 D CB 0.062 40.851 40.800 -0.020 0.000 0.954 722 D HN 0.705 nan 8.370 nan 0.000 0.455 723 S N -1.962 113.655 115.700 -0.138 0.000 2.685 723 S HA 0.684 5.136 4.470 -0.029 0.000 0.282 723 S C -0.514 173.801 174.600 -0.475 0.000 1.159 723 S CA -0.568 57.492 58.200 -0.234 0.000 0.833 723 S CB 1.964 65.076 63.200 -0.147 0.000 1.151 723 S HN -0.008 nan 8.310 nan 0.000 0.485 724 A N 1.367 123.847 122.820 -0.567 0.000 3.135 724 A HA 0.436 4.738 4.320 -0.029 0.000 0.253 724 A C 0.322 177.724 177.584 -0.304 0.000 1.638 724 A CA -0.276 51.241 52.037 -0.866 0.000 1.295 724 A CB -2.014 16.610 19.000 -0.627 0.000 1.106 724 A HN 0.885 nan 8.150 nan 0.000 0.648 725 D N -0.603 119.706 120.400 -0.151 0.000 2.312 725 D HA 0.298 4.921 4.640 -0.029 0.000 0.244 725 D C 1.436 177.789 176.300 0.088 0.000 1.328 725 D CA 0.208 54.206 54.000 -0.003 0.000 0.965 725 D CB 0.315 41.127 40.800 0.020 0.000 1.140 725 D HN 0.027 nan 8.370 nan 0.000 0.523 726 G N -1.173 107.667 108.800 0.068 0.000 2.402 726 G HA2 -0.280 3.662 3.960 -0.029 0.000 0.216 726 G HA3 -0.280 3.662 3.960 -0.029 0.000 0.216 726 G C 1.642 176.595 174.900 0.090 0.000 1.162 726 G CA 0.814 45.958 45.100 0.072 0.000 0.777 726 G HN 0.489 nan 8.290 nan 0.000 0.539 727 S N -0.124 115.629 115.700 0.088 0.000 2.370 727 S HA -0.158 4.295 4.470 -0.029 0.000 0.226 727 S C 2.066 176.734 174.600 0.113 0.000 1.033 727 S CA 1.539 59.788 58.200 0.081 0.000 1.011 727 S CB -0.446 62.795 63.200 0.068 0.000 0.852 727 S HN 0.378 nan 8.310 nan 0.000 0.457 728 F N 1.727 121.676 119.950 -0.002 0.000 2.091 728 F HA -0.129 4.380 4.527 -0.029 0.000 0.299 728 F C 2.075 177.872 175.800 -0.004 0.000 1.103 728 F CA 1.807 59.805 58.000 -0.003 0.000 1.228 728 F CB -0.344 38.656 39.000 -0.001 0.000 0.984 728 F HN 0.216 nan 8.300 nan 0.000 0.477 729 M N 0.307 120.068 119.600 0.269 0.000 2.132 729 M HA -0.166 4.297 4.480 -0.029 0.000 0.263 729 M C 1.861 178.163 176.300 0.003 0.000 1.065 729 M CA 1.508 56.883 55.300 0.124 0.000 1.122 729 M CB -1.458 31.237 32.600 0.157 0.000 1.365 729 M HN 0.099 nan 8.290 nan 0.000 0.411 730 D N 0.383 120.792 120.400 0.016 0.000 2.133 730 D HA -0.177 4.445 4.640 -0.029 0.000 0.195 730 D C 1.988 178.261 176.300 -0.046 0.000 0.997 730 D CA 1.370 55.365 54.000 -0.009 0.000 0.840 730 D CB -0.051 40.753 40.800 0.006 0.000 0.947 730 D HN 0.461 nan 8.370 nan 0.000 0.452 731 E N -0.271 119.881 120.200 -0.079 0.000 2.106 731 E HA -0.113 4.220 4.350 -0.029 0.000 0.192 731 E C 2.036 178.547 176.600 -0.148 0.000 0.984 731 E CA 0.199 56.531 56.400 -0.113 0.000 0.806 731 E CB -0.011 29.600 29.700 -0.147 0.000 0.750 731 E HN 0.210 nan 8.360 nan 0.000 0.458 732 L N 0.854 121.957 121.223 -0.199 0.000 2.027 732 L HA -0.150 4.173 4.340 -0.029 0.000 0.206 732 L C 2.135 178.938 176.870 -0.112 0.000 1.074 732 L CA 1.511 56.234 54.840 -0.195 0.000 0.745 732 L CB -0.428 41.487 42.059 -0.240 0.000 0.898 732 L HN 0.237 nan 8.230 nan 0.000 0.433 733 L N -0.422 120.755 121.223 -0.076 0.000 2.191 733 L HA -0.214 4.108 4.340 -0.029 0.000 0.212 733 L C 2.446 179.291 176.870 -0.042 0.000 1.103 733 L CA 1.453 56.265 54.840 -0.046 0.000 0.769 733 L CB -0.785 41.258 42.059 -0.027 0.000 0.908 733 L HN 0.273 nan 8.230 nan 0.000 0.438 734 T N 0.013 114.537 114.554 -0.050 0.000 2.737 734 T HA -0.113 4.220 4.350 -0.029 0.000 0.265 734 T C 1.972 176.639 174.700 -0.054 0.000 1.038 734 T CA 1.069 63.145 62.100 -0.041 0.000 1.144 734 T CB -0.180 68.664 68.868 -0.040 0.000 0.866 734 T HN 0.186 nan 8.240 nan 0.000 0.434 735 L N 0.350 121.522 121.223 -0.086 0.000 2.012 735 L HA -0.130 4.192 4.340 -0.029 0.000 0.210 735 L C 2.712 179.519 176.870 -0.106 0.000 1.073 735 L CA 1.467 56.237 54.840 -0.117 0.000 0.748 735 L CB -0.538 41.433 42.059 -0.147 0.000 0.891 735 L HN 0.314 nan 8.230 nan 0.000 0.431 736 M N -0.866 118.688 119.600 -0.077 0.000 2.159 736 M HA -0.180 4.283 4.480 -0.029 0.000 0.263 736 M C 2.397 178.701 176.300 0.006 0.000 1.063 736 M CA 1.740 57.014 55.300 -0.044 0.000 1.110 736 M CB -0.418 32.165 32.600 -0.028 0.000 1.374 736 M HN 0.323 nan 8.290 nan 0.000 0.411 737 A N 0.012 122.836 122.820 0.006 0.000 2.067 737 A HA 0.077 4.380 4.320 -0.029 0.000 0.219 737 A C 2.090 179.719 177.584 0.076 0.000 1.158 737 A CA 1.592 53.654 52.037 0.041 0.000 0.661 737 A CB -0.596 18.422 19.000 0.029 0.000 0.801 737 A HN 0.496 nan 8.150 nan 0.000 0.452 738 A N -2.567 120.276 122.820 0.039 0.000 2.307 738 A HA 0.373 4.675 4.320 -0.029 0.000 0.218 738 A C 0.892 178.502 177.584 0.043 0.000 1.228 738 A CA 1.203 53.276 52.037 0.061 0.000 0.857 738 A CB -0.447 18.546 19.000 -0.010 0.000 0.897 738 A HN 0.958 nan 8.150 nan 0.000 0.495 739 H N -1.284 117.731 119.070 -0.092 0.000 4.806 739 H HA -0.179 4.360 4.556 -0.029 0.000 0.061 739 H C 0.040 175.168 175.328 -0.334 0.000 0.604 739 H CA 2.328 58.310 56.048 -0.110 0.000 0.938 739 H CB -0.634 29.174 29.762 0.077 0.000 0.431 739 H HN 0.452 nan 8.280 nan 0.000 0.803 740 R N -0.237 119.704 120.500 -0.930 0.000 2.836 740 R HA 0.634 4.956 4.340 -0.029 0.000 0.269 740 R C -0.709 174.748 176.300 -1.406 0.000 1.010 740 R CA -0.311 55.018 56.100 -1.285 0.000 0.930 740 R CB 1.806 31.043 30.300 -1.771 0.000 1.218 740 R HN 0.086 nan 8.270 nan 0.000 0.473 741 V N 2.177 121.486 119.914 -1.008 0.000 2.258 741 V HA 0.124 4.227 4.120 -0.029 0.000 0.258 741 V C 0.660 176.364 176.094 -0.650 0.000 1.121 741 V CA -0.527 61.349 62.300 -0.707 0.000 0.942 741 V CB -0.110 31.449 31.823 -0.439 0.000 1.170 741 V HN 0.734 nan 8.190 nan 0.000 0.487 742 W N 1.718 122.729 121.300 -0.482 0.000 2.392 742 W HA -0.176 4.466 4.660 -0.029 0.000 0.279 742 W C 2.499 178.790 176.519 -0.379 0.000 1.225 742 W CA 0.841 57.800 57.345 -0.644 0.000 1.233 742 W CB -0.462 28.186 29.460 -1.354 0.000 1.122 742 W HN 0.659 nan 8.180 nan 0.000 0.561 743 S N 0.757 116.395 115.700 -0.103 0.000 2.469 743 S HA -0.174 4.278 4.470 -0.029 0.000 0.238 743 S C 1.718 176.276 174.600 -0.070 0.000 0.998 743 S CA 1.018 59.184 58.200 -0.057 0.000 0.957 743 S CB -0.448 62.720 63.200 -0.053 0.000 0.764 743 S HN 0.427 nan 8.310 nan 0.000 0.514 744 R N 0.714 121.131 120.500 -0.138 0.000 2.275 744 R HA 0.239 4.562 4.340 -0.029 0.000 0.199 744 R C 1.812 178.041 176.300 -0.119 0.000 0.989 744 R CA 0.419 56.416 56.100 -0.172 0.000 1.016 744 R CB -0.358 29.731 30.300 -0.351 0.000 0.918 744 R HN 0.472 nan 8.270 nan 0.000 0.473 745 I N 1.776 122.315 120.570 -0.051 0.000 2.194 745 I HA -0.216 3.936 4.170 -0.029 0.000 0.246 745 I C -0.819 175.320 176.117 0.036 0.000 1.093 745 I CA 1.257 62.571 61.300 0.022 0.000 1.355 745 I CB -0.784 37.279 38.000 0.104 0.000 1.046 745 I HN 0.161 nan 8.210 nan 0.000 0.413 746 P HA -0.119 nan 4.420 nan 0.000 0.230 746 P C 1.118 178.447 177.300 0.048 0.000 1.158 746 P CA 1.309 64.437 63.100 0.047 0.000 0.769 746 P CB -0.022 31.703 31.700 0.042 0.000 0.807 747 K N -0.473 119.951 120.400 0.040 0.000 2.352 747 K HA 0.154 4.457 4.320 -0.029 0.000 0.194 747 K C 1.848 178.516 176.600 0.113 0.000 1.038 747 K CA 0.245 56.578 56.287 0.078 0.000 1.023 747 K CB -0.121 32.441 32.500 0.103 0.000 0.840 747 K HN 0.231 nan 8.250 nan 0.000 0.519 748 I N -2.096 118.510 120.570 0.059 0.000 2.928 748 I HA -0.054 4.098 4.170 -0.029 0.000 0.266 748 I C 1.176 177.343 176.117 0.083 0.000 1.234 748 I CA 1.008 62.351 61.300 0.071 0.000 1.483 748 I CB -0.157 37.832 38.000 -0.019 0.000 1.097 748 I HN -0.069 nan 8.210 nan 0.000 0.455 749 D N 2.965 123.410 120.400 0.077 0.000 2.170 749 D HA -0.239 4.383 4.640 -0.029 0.000 0.193 749 D C 1.685 178.025 176.300 0.068 0.000 1.004 749 D CA 2.095 56.139 54.000 0.073 0.000 0.860 749 D CB 0.080 40.921 40.800 0.067 0.000 0.931 749 D HN 0.597 nan 8.370 nan 0.000 0.448 750 K N -0.043 120.399 120.400 0.071 0.000 2.514 750 K HA 0.174 4.477 4.320 -0.029 0.000 0.207 750 K C 0.038 176.667 176.600 0.049 0.000 1.035 750 K CA -0.250 56.070 56.287 0.056 0.000 1.113 750 K CB 0.361 32.890 32.500 0.049 0.000 0.846 750 K HN 0.287 nan 8.250 nan 0.000 0.491 751 I N 0.670 121.276 120.570 0.060 0.000 2.406 751 I HA 0.380 4.532 4.170 -0.029 0.000 0.290 751 I C -2.741 173.402 176.117 0.044 0.000 0.999 751 I CA -2.536 58.789 61.300 0.042 0.000 1.124 751 I CB 2.134 40.165 38.000 0.052 0.000 1.289 751 I HN -0.108 nan 8.210 nan 0.000 0.441 752 P HA 0.435 nan 4.420 nan 0.000 0.266 752 P C -0.858 176.496 177.300 0.090 0.000 1.586 752 P CA 0.021 63.157 63.100 0.059 0.000 1.088 752 P CB 0.718 32.449 31.700 0.051 0.000 1.584 753 A N 0.000 122.871 122.820 0.085 0.000 2.254 753 A HA 0.000 4.303 4.320 -0.029 0.000 0.244 753 A CA 0.000 52.122 52.037 0.142 0.000 0.836 753 A CB 0.000 18.963 19.000 -0.062 0.000 0.831 753 A HN 0.000 nan 8.150 nan 0.000 0.486