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 1gge_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 DTVRDIRGFA 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 0.000 176.285 176.300 -0.026 0.000 2.045 27 D CA 0.000 53.988 54.000 -0.020 0.000 0.868 27 D CB 0.000 40.788 40.800 -0.020 0.000 0.688 28 S N 1.068 116.747 115.700 -0.034 0.000 2.486 28 S HA 0.214 4.701 4.470 0.029 0.000 0.184 28 S C 0.328 174.892 174.600 -0.060 0.000 0.774 28 S CA -0.337 57.835 58.200 -0.047 0.000 0.995 28 S CB -0.329 62.846 63.200 -0.043 0.000 1.427 28 S HN 0.381 nan 8.310 nan 0.000 0.398 29 L N 1.946 123.126 121.223 -0.073 0.000 2.307 29 L HA 0.418 4.776 4.340 0.029 0.000 0.211 29 L C 1.607 178.398 176.870 -0.132 0.000 1.099 29 L CA 0.550 55.342 54.840 -0.080 0.000 0.816 29 L CB -0.395 41.626 42.059 -0.062 0.000 0.952 29 L HN 0.675 nan 8.230 nan 0.000 0.455 30 A N 1.547 124.235 122.820 -0.219 0.000 2.507 30 A HA 0.248 4.585 4.320 0.029 0.000 0.235 30 A C -2.048 175.390 177.584 -0.244 0.000 1.070 30 A CA -0.819 50.963 52.037 -0.425 0.000 0.768 30 A CB -0.706 17.782 19.000 -0.853 0.000 1.011 30 A HN 0.009 nan 8.150 nan 0.000 0.502 31 P HA 0.122 nan 4.420 nan 0.000 0.271 31 P C 0.107 177.391 177.300 -0.028 0.000 1.216 31 P CA -0.008 63.057 63.100 -0.057 0.000 0.776 31 P CB 0.916 32.620 31.700 0.008 0.000 0.881 32 E N 1.874 122.067 120.200 -0.012 0.000 2.204 32 E HA -0.200 4.168 4.350 0.029 0.000 0.195 32 E C 1.228 177.846 176.600 0.030 0.000 0.990 32 E CA 1.453 57.855 56.400 0.004 0.000 0.821 32 E CB -0.477 29.223 29.700 -0.001 0.000 0.750 32 E HN 0.526 nan 8.360 nan 0.000 0.477 33 D N -1.317 119.106 120.400 0.038 0.000 2.371 33 D HA -0.020 4.637 4.640 0.029 0.000 0.221 33 D C 1.305 177.651 176.300 0.076 0.000 0.986 33 D CA 0.945 54.973 54.000 0.047 0.000 0.899 33 D CB -0.410 40.412 40.800 0.037 0.000 0.902 33 D HN 0.219 nan 8.370 nan 0.000 0.530 34 G N 0.231 109.113 108.800 0.136 0.000 2.155 34 G HA2 -0.363 3.615 3.960 0.029 0.000 0.257 34 G HA3 -0.363 3.615 3.960 0.029 0.000 0.257 34 G C 1.029 176.034 174.900 0.175 0.000 0.983 34 G CA 0.946 46.176 45.100 0.216 0.000 0.676 34 G HN 0.737 nan 8.290 nan 0.000 0.528 35 S N 0.580 116.379 115.700 0.164 0.000 2.595 35 S HA -0.049 4.439 4.470 0.029 0.000 0.235 35 S C 1.860 176.525 174.600 0.108 0.000 0.974 35 S CA 1.256 59.512 58.200 0.093 0.000 0.942 35 S CB -0.551 62.690 63.200 0.069 0.000 0.766 35 S HN 0.969 nan 8.310 nan 0.000 0.536 36 H N 0.257 119.335 119.070 0.013 0.000 2.535 36 H HA 0.354 4.927 4.556 0.029 0.000 0.273 36 H C 0.571 175.912 175.328 0.022 0.000 0.983 36 H CA 0.012 56.069 56.048 0.015 0.000 1.238 36 H CB -0.234 29.536 29.762 0.013 0.000 1.412 36 H HN 0.247 nan 8.280 nan 0.000 0.562 37 R N 2.511 122.649 120.500 -0.603 0.000 2.338 37 R HA 0.369 4.727 4.340 0.029 0.000 0.317 37 R C -2.542 173.658 176.300 -0.168 0.000 0.968 37 R CA -2.178 53.680 56.100 -0.404 0.000 0.849 37 R CB 1.041 31.006 30.300 -0.558 0.000 1.128 37 R HN 0.157 nan 8.270 nan 0.000 0.448 38 P HA 0.161 nan 4.420 nan 0.000 0.271 38 P C -0.963 176.327 177.300 -0.016 0.000 1.216 38 P CA -0.444 62.643 63.100 -0.021 0.000 0.776 38 P CB 1.016 32.729 31.700 0.022 0.000 0.881 39 A N 2.722 125.540 122.820 -0.004 0.000 2.498 39 A HA 0.388 4.725 4.320 0.029 0.000 0.239 39 A C 0.944 178.538 177.584 0.017 0.000 1.068 39 A CA 0.084 52.123 52.037 0.003 0.000 0.766 39 A CB -0.375 18.630 19.000 0.007 0.000 1.003 39 A HN 0.576 nan 8.150 nan 0.000 0.497 40 A N 2.944 125.774 122.820 0.018 0.000 3.135 40 A HA 0.496 4.833 4.320 0.029 0.000 0.253 40 A C 0.315 177.917 177.584 0.031 0.000 1.638 40 A CA 0.118 52.171 52.037 0.027 0.000 1.295 40 A CB -0.859 18.154 19.000 0.023 0.000 1.106 40 A HN 0.885 nan 8.150 nan 0.000 0.648 41 E N -0.476 119.744 120.200 0.034 0.000 2.392 41 E HA 0.500 4.867 4.350 0.029 0.000 0.279 41 E C -3.246 173.377 176.600 0.038 0.000 0.964 41 E CA -2.556 53.865 56.400 0.035 0.000 0.777 41 E CB 1.165 30.881 29.700 0.026 0.000 1.249 41 E HN 0.051 nan 8.360 nan 0.000 0.449 42 P HA 0.028 nan 4.420 nan 0.000 0.263 42 P C -0.576 176.735 177.300 0.018 0.000 1.195 42 P CA 0.325 63.443 63.100 0.030 0.000 0.762 42 P CB 0.402 32.108 31.700 0.011 0.000 0.799 43 T N 0.970 115.532 114.554 0.013 0.000 2.909 43 T HA 0.613 4.980 4.350 0.029 0.000 0.299 43 T C -3.026 171.651 174.700 -0.039 0.000 1.073 43 T CA -2.698 59.403 62.100 0.002 0.000 0.999 43 T CB 1.696 70.570 68.868 0.010 0.000 1.098 43 T HN 0.044 nan 8.240 nan 0.000 0.477 44 P HA 0.325 nan 4.420 nan 0.000 0.272 44 P C -2.718 174.451 177.300 -0.219 0.000 1.230 44 P CA -1.536 61.417 63.100 -0.245 0.000 0.788 44 P CB -1.020 30.591 31.700 -0.148 0.000 0.949 45 P HA 0.005 nan 4.420 nan 0.000 0.258 45 P C 1.080 178.337 177.300 -0.071 0.000 1.172 45 P CA 1.586 64.592 63.100 -0.158 0.000 0.762 45 P CB -0.443 31.160 31.700 -0.160 0.000 0.764 46 G N 3.067 111.854 108.800 -0.022 0.000 2.179 46 G HA2 -0.322 3.656 3.960 0.029 0.000 0.260 46 G HA3 -0.322 3.656 3.960 0.029 0.000 0.260 46 G C 1.069 175.970 174.900 0.003 0.000 0.977 46 G CA 0.344 45.444 45.100 0.000 0.000 0.641 46 G HN 0.678 nan 8.290 nan 0.000 0.533 47 A N -1.273 121.544 122.820 -0.005 0.000 2.016 47 A HA 0.463 4.800 4.320 0.029 0.000 0.217 47 A C 1.336 178.926 177.584 0.010 0.000 1.162 47 A CA 1.857 53.895 52.037 0.003 0.000 0.662 47 A CB 0.050 19.051 19.000 0.000 0.000 0.812 47 A HN 0.489 nan 8.150 nan 0.000 0.450 48 Q N -1.038 118.771 119.800 0.015 0.000 2.501 48 Q HA 0.434 4.791 4.340 0.029 0.000 0.288 48 Q C -3.000 173.017 176.000 0.028 0.000 1.051 48 Q CA -2.026 53.789 55.803 0.021 0.000 0.788 48 Q CB 0.955 29.709 28.738 0.026 0.000 1.469 48 Q HN 0.055 nan 8.270 nan 0.000 0.416 49 P HA 0.075 nan 4.420 nan 0.000 0.271 49 P C -0.257 177.075 177.300 0.055 0.000 1.216 49 P CA -0.028 63.089 63.100 0.027 0.000 0.776 49 P CB 0.256 31.969 31.700 0.021 0.000 0.881 50 T N -0.259 114.328 114.554 0.055 0.000 2.860 50 T HA 0.586 4.953 4.350 0.029 0.000 0.299 50 T C 0.034 174.823 174.700 0.149 0.000 1.045 50 T CA -0.438 61.746 62.100 0.140 0.000 1.071 50 T CB 0.581 69.473 68.868 0.040 0.000 0.985 50 T HN 0.576 nan 8.240 nan 0.000 0.537 51 A N 1.839 124.845 122.820 0.310 0.000 2.602 51 A HA 0.790 5.128 4.320 0.029 0.000 0.290 51 A C -3.006 174.839 177.584 0.436 0.000 1.114 51 A CA -2.015 50.180 52.037 0.262 0.000 0.683 51 A CB 0.666 19.770 19.000 0.173 0.000 1.281 51 A HN 0.682 nan 8.150 nan 0.000 0.416 52 P HA 0.125 nan 4.420 nan 0.000 0.265 52 P C 1.223 178.671 177.300 0.247 0.000 1.193 52 P CA 0.915 64.226 63.100 0.351 0.000 0.765 52 P CB 0.496 32.328 31.700 0.220 0.000 0.823 53 G N 2.725 111.634 108.800 0.181 0.000 2.513 53 G HA2 -0.334 3.644 3.960 0.029 0.000 0.219 53 G HA3 -0.334 3.644 3.960 0.029 0.000 0.219 53 G C 1.577 176.492 174.900 0.025 0.000 1.160 53 G CA 1.306 46.422 45.100 0.028 0.000 0.767 53 G HN 0.603 nan 8.290 nan 0.000 0.571 54 S N 0.050 115.769 115.700 0.032 0.000 2.481 54 S HA 0.138 4.626 4.470 0.029 0.000 0.231 54 S C 2.223 176.841 174.600 0.031 0.000 0.996 54 S CA 0.916 59.122 58.200 0.010 0.000 0.942 54 S CB -0.168 63.031 63.200 -0.002 0.000 0.768 54 S HN 0.334 nan 8.310 nan 0.000 0.520 55 L N -0.119 121.139 121.223 0.058 0.000 2.298 55 L HA 0.260 4.617 4.340 0.029 0.000 0.209 55 L C 2.665 179.569 176.870 0.056 0.000 1.084 55 L CA 0.800 55.674 54.840 0.057 0.000 0.816 55 L CB -0.350 41.751 42.059 0.070 0.000 0.967 55 L HN 0.245 nan 8.230 nan 0.000 0.460 56 K N 1.505 121.949 120.400 0.073 0.000 2.062 56 K HA 0.033 4.370 4.320 0.029 0.000 0.205 56 K C 0.680 177.310 176.600 0.050 0.000 1.051 56 K CA 1.302 57.632 56.287 0.072 0.000 0.941 56 K CB 0.118 32.677 32.500 0.100 0.000 0.719 56 K HN 0.149 nan 8.250 nan 0.000 0.440 57 A N 0.774 123.615 122.820 0.035 0.000 3.266 57 A HA 0.353 4.690 4.320 0.029 0.000 0.310 57 A C -2.237 175.351 177.584 0.008 0.000 1.066 57 A CA -1.023 51.031 52.037 0.029 0.000 0.839 57 A CB 0.715 19.736 19.000 0.036 0.000 1.192 57 A HN 0.144 nan 8.150 nan 0.000 0.496 58 P HA -0.104 nan 4.420 nan 0.000 0.222 58 P C 0.104 177.398 177.300 -0.010 0.000 1.147 58 P CA 1.186 64.285 63.100 -0.001 0.000 0.790 58 P CB 0.324 32.028 31.700 0.007 0.000 0.780 59 D N -0.975 119.423 120.400 -0.002 0.000 2.340 59 D HA 0.036 4.693 4.640 0.029 0.000 0.217 59 D C 0.154 176.444 176.300 -0.016 0.000 1.081 59 D CA 0.445 54.441 54.000 -0.007 0.000 0.842 59 D CB -0.182 40.620 40.800 0.003 0.000 0.934 59 D HN 0.097 nan 8.370 nan 0.000 0.511 60 T N 1.669 116.210 114.554 -0.022 0.000 2.723 60 T HA 0.370 4.738 4.350 0.029 0.000 0.297 60 T C 0.463 175.122 174.700 -0.068 0.000 0.925 60 T CA -0.177 61.898 62.100 -0.042 0.000 1.030 60 T CB 1.044 69.883 68.868 -0.048 0.000 0.905 60 T HN -0.087 nan 8.240 nan 0.000 0.502 61 R N 2.753 123.208 120.500 -0.076 0.000 2.837 61 R HA 0.698 5.055 4.340 0.029 0.000 0.271 61 R C -0.599 175.647 176.300 -0.091 0.000 0.993 61 R CA -0.996 55.053 56.100 -0.085 0.000 0.931 61 R CB 1.486 31.744 30.300 -0.071 0.000 1.206 61 R HN 0.768 nan 8.270 nan 0.000 0.474 62 N N -1.717 116.933 118.700 -0.084 0.000 2.823 62 N HA 0.009 4.766 4.740 0.029 0.000 0.251 62 N C -0.057 175.413 175.510 -0.066 0.000 1.392 62 N CA -0.930 52.084 53.050 -0.060 0.000 0.864 62 N CB 0.852 39.337 38.487 -0.004 0.000 1.481 62 N HN 0.641 nan 8.380 nan 0.000 0.508 63 E N 0.177 120.351 120.200 -0.043 0.000 2.085 63 E HA -0.314 4.054 4.350 0.029 0.000 0.194 63 E C 1.123 177.656 176.600 -0.111 0.000 0.994 63 E CA 1.567 57.935 56.400 -0.054 0.000 0.801 63 E CB 0.048 29.741 29.700 -0.012 0.000 0.743 63 E HN 0.505 nan 8.360 nan 0.000 0.453 64 K N 0.833 121.134 120.400 -0.165 0.000 2.002 64 K HA -0.104 4.234 4.320 0.029 0.000 0.209 64 K C 2.161 178.600 176.600 -0.267 0.000 1.048 64 K CA 1.485 57.579 56.287 -0.323 0.000 0.930 64 K CB -0.524 31.627 32.500 -0.581 0.000 0.714 64 K HN 0.242 nan 8.250 nan 0.000 0.438 65 L N 0.879 121.959 121.223 -0.238 0.000 2.083 65 L HA -0.209 4.148 4.340 0.029 0.000 0.209 65 L C 1.917 178.674 176.870 -0.188 0.000 1.083 65 L CA 1.267 55.940 54.840 -0.279 0.000 0.752 65 L CB -0.589 41.300 42.059 -0.283 0.000 0.899 65 L HN 0.281 nan 8.230 nan 0.000 0.433 66 N N -0.346 118.269 118.700 -0.140 0.000 2.188 66 N HA -0.144 4.614 4.740 0.029 0.000 0.184 66 N C 2.045 177.497 175.510 -0.097 0.000 1.018 66 N CA 1.649 54.638 53.050 -0.101 0.000 0.858 66 N CB -0.345 38.096 38.487 -0.076 0.000 0.989 66 N HN 0.363 nan 8.380 nan 0.000 0.426 67 S N 0.351 115.983 115.700 -0.114 0.000 2.481 67 S HA 0.069 4.556 4.470 0.029 0.000 0.231 67 S C 1.803 176.340 174.600 -0.104 0.000 0.996 67 S CA 0.244 58.384 58.200 -0.101 0.000 0.942 67 S CB -0.404 62.733 63.200 -0.105 0.000 0.768 67 S HN 0.221 nan 8.310 nan 0.000 0.520 68 L N 0.759 121.905 121.223 -0.127 0.000 2.552 68 L HA 0.179 4.537 4.340 0.029 0.000 0.227 68 L C 2.608 179.430 176.870 -0.081 0.000 1.146 68 L CA 0.633 55.405 54.840 -0.113 0.000 0.858 68 L CB -0.357 41.614 42.059 -0.147 0.000 0.969 68 L HN 0.300 nan 8.230 nan 0.000 0.451 69 E N 0.975 121.131 120.200 -0.073 0.000 2.204 69 E HA -0.250 4.117 4.350 0.029 0.000 0.195 69 E C 1.698 178.276 176.600 -0.037 0.000 0.990 69 E CA 1.403 57.773 56.400 -0.050 0.000 0.821 69 E CB -0.029 29.644 29.700 -0.045 0.000 0.750 69 E HN 0.551 nan 8.360 nan 0.000 0.477 70 D N -0.468 119.909 120.400 -0.038 0.000 2.263 70 D HA -0.139 4.518 4.640 0.029 0.000 0.208 70 D C 1.606 177.890 176.300 -0.026 0.000 0.971 70 D CA 1.498 55.480 54.000 -0.029 0.000 0.867 70 D CB -0.222 40.560 40.800 -0.030 0.000 0.929 70 D HN 0.310 nan 8.370 nan 0.000 0.492 71 V N -3.490 116.407 119.914 -0.029 0.000 3.605 71 V HA 0.318 4.455 4.120 0.029 0.000 0.284 71 V C 0.926 177.011 176.094 -0.015 0.000 1.386 71 V CA -0.663 61.625 62.300 -0.020 0.000 1.053 71 V CB -0.459 31.353 31.823 -0.018 0.000 0.857 71 V HN -0.162 nan 8.190 nan 0.000 0.436 72 R N 2.195 122.683 120.500 -0.019 0.000 2.489 72 R HA 0.363 4.720 4.340 0.029 0.000 0.287 72 R C -0.102 176.193 176.300 -0.008 0.000 1.053 72 R CA 0.161 56.256 56.100 -0.008 0.000 1.036 72 R CB 0.641 30.936 30.300 -0.009 0.000 0.966 72 R HN 0.389 nan 8.270 nan 0.000 0.432 73 K N 1.346 121.744 120.400 -0.003 0.000 2.292 73 K HA 0.333 4.671 4.320 0.029 0.000 0.257 73 K C -0.046 176.557 176.600 0.004 0.000 0.940 73 K CA -0.472 55.799 56.287 -0.026 0.000 0.811 73 K CB 1.795 34.266 32.500 -0.048 0.000 1.120 73 K HN 0.720 nan 8.250 nan 0.000 0.428 74 G N 0.440 109.250 108.800 0.018 0.000 2.531 74 G HA2 0.250 4.228 3.960 0.029 0.000 0.253 74 G HA3 0.250 4.228 3.960 0.029 0.000 0.253 74 G C 0.355 175.330 174.900 0.124 0.000 1.439 74 G CA 0.299 45.464 45.100 0.108 0.000 1.056 74 G HN 0.722 nan 8.290 nan 0.000 0.555 75 S N -2.727 113.127 115.700 0.257 0.000 2.323 75 S HA 0.088 4.575 4.470 0.029 0.000 0.233 75 S C 0.188 174.962 174.600 0.290 0.000 0.898 75 S CA -0.093 58.268 58.200 0.269 0.000 1.321 75 S CB -0.094 63.185 63.200 0.132 0.000 0.921 75 S HN 0.514 nan 8.310 nan 0.000 0.398 76 E N 3.182 123.484 120.200 0.171 0.000 2.465 76 E HA 0.232 4.600 4.350 0.029 0.000 0.260 76 E C -0.182 176.379 176.600 -0.066 0.000 0.980 76 E CA 0.395 56.832 56.400 0.061 0.000 0.927 76 E CB 0.001 29.725 29.700 0.039 0.000 0.934 76 E HN 0.405 nan 8.360 nan 0.000 0.459 77 N N 0.551 119.200 118.700 -0.085 0.000 2.828 77 N HA -0.215 4.542 4.740 0.029 0.000 0.248 77 N C -1.069 174.281 175.510 -0.267 0.000 1.044 77 N CA 1.156 54.097 53.050 -0.183 0.000 0.851 77 N CB -1.326 37.013 38.487 -0.247 0.000 1.136 77 N HN 0.384 nan 8.380 nan 0.000 0.572 78 Y N 0.616 120.923 120.300 0.011 0.000 2.419 78 Y HA 0.634 5.202 4.550 0.030 0.000 0.328 78 Y C 0.953 176.857 175.900 0.006 0.000 1.162 78 Y CA -0.456 57.649 58.100 0.009 0.000 1.174 78 Y CB 1.012 39.478 38.460 0.010 0.000 1.228 78 Y HN 0.119 nan 8.280 nan 0.000 0.473 79 A N 2.273 125.211 122.820 0.197 0.000 2.371 79 A HA 0.437 4.774 4.320 0.029 0.000 0.257 79 A C -0.861 176.776 177.584 0.088 0.000 1.089 79 A CA -0.539 51.561 52.037 0.106 0.000 0.794 79 A CB 0.174 19.223 19.000 0.081 0.000 1.029 79 A HN 0.684 nan 8.150 nan 0.000 0.488 80 L N 2.620 123.874 121.223 0.052 0.000 2.410 80 L HA 0.507 4.865 4.340 0.029 0.000 0.273 80 L C 0.636 177.519 176.870 0.021 0.000 1.144 80 L CA 1.136 55.993 54.840 0.029 0.000 0.863 80 L CB 0.296 42.363 42.059 0.013 0.000 1.140 80 L HN 0.917 nan 8.230 nan 0.000 0.463 81 T N 0.403 114.964 114.554 0.011 0.000 2.887 81 T HA 0.675 5.043 4.350 0.029 0.000 0.292 81 T C 0.179 174.885 174.700 0.009 0.000 1.087 81 T CA -0.190 61.920 62.100 0.016 0.000 1.009 81 T CB 1.063 69.943 68.868 0.019 0.000 1.203 81 T HN 0.780 nan 8.240 nan 0.000 0.518 82 T N 0.201 114.774 114.554 0.033 0.000 2.726 82 T HA 0.244 4.611 4.350 0.029 0.000 0.294 82 T C 1.041 175.761 174.700 0.032 0.000 1.013 82 T CA -0.549 61.579 62.100 0.046 0.000 0.996 82 T CB -0.021 68.919 68.868 0.121 0.000 1.016 82 T HN 0.556 nan 8.240 nan 0.000 0.529 83 N N 0.444 119.165 118.700 0.035 0.000 2.453 83 N HA -0.064 4.694 4.740 0.029 0.000 0.183 83 N C 1.551 177.082 175.510 0.035 0.000 1.041 83 N CA 0.598 53.661 53.050 0.023 0.000 0.900 83 N CB -0.173 38.337 38.487 0.038 0.000 0.961 83 N HN 0.558 nan 8.380 nan 0.000 0.443 84 Q N -0.526 119.307 119.800 0.054 0.000 2.360 84 Q HA 0.198 4.556 4.340 0.029 0.000 0.202 84 Q C 0.759 176.782 176.000 0.038 0.000 0.915 84 Q CA 0.178 56.008 55.803 0.044 0.000 0.943 84 Q CB 0.442 29.211 28.738 0.051 0.000 1.064 84 Q HN 0.396 nan 8.270 nan 0.000 0.511 85 G N 0.447 109.270 108.800 0.037 0.000 2.141 85 G HA2 -0.233 3.744 3.960 0.029 0.000 0.242 85 G HA3 -0.233 3.744 3.960 0.029 0.000 0.242 85 G C 0.081 175.009 174.900 0.046 0.000 0.982 85 G CA 0.116 45.233 45.100 0.029 0.000 0.662 85 G HN 0.220 nan 8.290 nan 0.000 0.527 86 V N 1.574 121.531 119.914 0.073 0.000 2.461 86 V HA 0.379 4.516 4.120 0.029 0.000 0.275 86 V C 1.295 177.432 176.094 0.071 0.000 1.047 86 V CA -0.593 61.762 62.300 0.091 0.000 0.955 86 V CB 1.145 33.066 31.823 0.164 0.000 0.988 86 V HN 0.406 nan 8.190 nan 0.000 0.471 87 R N 4.294 124.828 120.500 0.057 0.000 2.537 87 R HA 0.355 4.712 4.340 0.029 0.000 0.280 87 R C -0.498 175.819 176.300 0.029 0.000 1.058 87 R CA -0.038 56.087 56.100 0.041 0.000 1.057 87 R CB 0.486 30.809 30.300 0.038 0.000 0.973 87 R HN 0.577 nan 8.270 nan 0.000 0.438 88 I N 1.998 122.574 120.570 0.010 0.000 2.353 88 I HA 0.128 4.316 4.170 0.029 0.000 0.293 88 I C 0.952 177.062 176.117 -0.012 0.000 0.992 88 I CA 0.013 61.304 61.300 -0.016 0.000 1.268 88 I CB 1.878 39.857 38.000 -0.034 0.000 1.387 88 I HN 0.771 nan 8.210 nan 0.000 0.478 89 A N 3.934 126.743 122.820 -0.019 0.000 1.924 89 A HA 0.026 4.364 4.320 0.029 0.000 0.211 89 A C 0.643 178.213 177.584 -0.023 0.000 1.198 89 A CA 0.849 52.877 52.037 -0.014 0.000 0.657 89 A CB 0.078 19.072 19.000 -0.010 0.000 0.852 89 A HN 0.686 nan 8.150 nan 0.000 0.454 90 D N -0.464 119.915 120.400 -0.036 0.000 2.389 90 D HA 0.304 4.962 4.640 0.029 0.000 0.256 90 D C -1.289 174.980 176.300 -0.051 0.000 1.239 90 D CA -0.369 53.608 54.000 -0.038 0.000 0.925 90 D CB 1.073 41.851 40.800 -0.038 0.000 1.145 90 D HN 0.061 nan 8.370 nan 0.000 0.542 91 D N 1.996 122.370 120.400 -0.044 0.000 2.370 91 D HA 0.045 4.702 4.640 0.029 0.000 0.230 91 D C 0.655 176.924 176.300 -0.051 0.000 1.143 91 D CA 0.333 54.302 54.000 -0.051 0.000 0.834 91 D CB 0.487 41.262 40.800 -0.042 0.000 0.944 91 D HN 0.237 nan 8.370 nan 0.000 0.504 92 Q N -0.708 119.063 119.800 -0.048 0.000 2.280 92 Q HA 0.258 4.615 4.340 0.029 0.000 0.228 92 Q C -0.116 175.855 176.000 -0.049 0.000 0.857 92 Q CA 0.196 55.971 55.803 -0.046 0.000 0.939 92 Q CB 0.778 29.493 28.738 -0.038 0.000 1.114 92 Q HN 0.212 nan 8.270 nan 0.000 0.514 93 N N 0.064 118.733 118.700 -0.051 0.000 2.284 93 N HA 0.344 5.101 4.740 0.029 0.000 0.289 93 N C -0.944 174.531 175.510 -0.058 0.000 1.179 93 N CA -0.277 52.744 53.050 -0.050 0.000 0.774 93 N CB 2.108 40.571 38.487 -0.040 0.000 1.548 93 N HN -0.183 nan 8.380 nan 0.000 0.473 94 S N 0.651 116.319 115.700 -0.053 0.000 2.632 94 S HA 0.339 4.827 4.470 0.029 0.000 0.271 94 S C 0.030 174.602 174.600 -0.046 0.000 1.260 94 S CA -0.586 57.581 58.200 -0.054 0.000 1.010 94 S CB 0.829 64.004 63.200 -0.042 0.000 0.965 94 S HN 0.388 nan 8.310 nan 0.000 0.534 95 L N 3.333 124.528 121.223 -0.047 0.000 2.319 95 L HA 0.455 4.813 4.340 0.029 0.000 0.280 95 L C -0.007 176.853 176.870 -0.017 0.000 1.099 95 L CA 0.298 55.118 54.840 -0.032 0.000 0.828 95 L CB -0.013 42.027 42.059 -0.030 0.000 1.150 95 L HN 0.716 nan 8.230 nan 0.000 0.442 96 R N 4.212 124.704 120.500 -0.013 0.000 2.808 96 R HA 0.858 5.215 4.340 0.029 0.000 0.272 96 R C -1.161 175.137 176.300 -0.003 0.000 0.995 96 R CA -0.879 55.217 56.100 -0.007 0.000 0.917 96 R CB 1.177 31.471 30.300 -0.010 0.000 1.217 96 R HN 0.593 nan 8.270 nan 0.000 0.471 97 A N 1.347 124.167 122.820 -0.000 0.000 2.527 97 A HA 0.589 4.927 4.320 0.029 0.000 0.313 97 A C 0.598 178.181 177.584 -0.001 0.000 1.410 97 A CA 0.332 52.370 52.037 0.001 0.000 1.060 97 A CB -0.835 18.168 19.000 0.004 0.000 1.137 97 A HN 1.228 nan 8.150 nan 0.000 0.542 98 G N 1.243 110.041 108.800 -0.002 0.000 2.692 98 G HA2 0.056 4.033 3.960 0.029 0.000 0.686 98 G HA3 0.056 4.033 3.960 0.029 0.000 0.686 98 G C 0.620 175.517 174.900 -0.006 0.000 1.243 98 G CA 0.102 45.200 45.100 -0.003 0.000 0.782 98 G HN 1.843 nan 8.290 nan 0.000 0.625 99 S N -0.257 115.438 115.700 -0.007 0.000 2.555 99 S HA 0.038 4.525 4.470 0.029 0.000 0.230 99 S C 1.479 176.073 174.600 -0.010 0.000 0.978 99 S CA 1.300 59.494 58.200 -0.010 0.000 0.934 99 S CB 0.098 63.292 63.200 -0.010 0.000 0.766 99 S HN 0.737 nan 8.310 nan 0.000 0.533 100 R N 0.780 121.275 120.500 -0.008 0.000 2.613 100 R HA 0.341 4.699 4.340 0.029 0.000 0.361 100 R C 0.851 177.147 176.300 -0.007 0.000 1.072 100 R CA -0.006 56.089 56.100 -0.008 0.000 1.089 100 R CB 0.842 31.137 30.300 -0.007 0.000 1.343 100 R HN 0.431 nan 8.270 nan 0.000 0.571 101 G N 1.631 110.427 108.800 -0.006 0.000 2.537 101 G HA2 0.375 4.353 3.960 0.029 0.000 0.297 101 G HA3 0.375 4.353 3.960 0.029 0.000 0.297 101 G C -2.387 172.510 174.900 -0.005 0.000 1.310 101 G CA -1.105 43.993 45.100 -0.004 0.000 1.027 101 G HN -0.100 nan 8.290 nan 0.000 0.505 102 P HA 0.214 nan 4.420 nan 0.000 0.275 102 P C -0.167 177.132 177.300 -0.002 0.000 1.228 102 P CA -0.068 63.032 63.100 -0.001 0.000 0.786 102 P CB 0.774 32.475 31.700 0.002 0.000 0.927 103 T N 3.014 117.566 114.554 -0.003 0.000 2.901 103 T HA 0.234 4.602 4.350 0.029 0.000 0.301 103 T C 0.514 175.216 174.700 0.004 0.000 1.012 103 T CA -0.118 61.980 62.100 -0.004 0.000 1.135 103 T CB -0.029 68.834 68.868 -0.008 0.000 0.936 103 T HN 0.190 nan 8.240 nan 0.000 0.539 104 L N 3.801 125.027 121.223 0.006 0.000 2.312 104 L HA 0.268 4.626 4.340 0.029 0.000 0.281 104 L C 1.426 178.311 176.870 0.025 0.000 1.070 104 L CA -0.755 54.095 54.840 0.016 0.000 0.805 104 L CB 0.858 42.928 42.059 0.018 0.000 1.174 104 L HN 0.520 nan 8.230 nan 0.000 0.434 105 L N 2.652 123.894 121.223 0.032 0.000 2.191 105 L HA -0.193 4.164 4.340 0.029 0.000 0.212 105 L C 2.300 179.210 176.870 0.066 0.000 1.103 105 L CA 1.666 56.532 54.840 0.043 0.000 0.769 105 L CB -0.607 41.476 42.059 0.039 0.000 0.908 105 L HN 0.792 nan 8.230 nan 0.000 0.438 106 E N -1.499 118.744 120.200 0.072 0.000 2.516 106 E HA -0.168 4.199 4.350 0.029 0.000 0.199 106 E C 0.185 176.884 176.600 0.165 0.000 1.069 106 E CA 0.210 56.681 56.400 0.119 0.000 0.876 106 E CB -0.505 29.257 29.700 0.103 0.000 0.843 106 E HN 0.372 nan 8.360 nan 0.000 0.530 107 D N 1.160 121.607 120.400 0.079 0.000 2.455 107 D HA -0.040 4.617 4.640 0.029 0.000 0.234 107 D C 0.471 176.771 176.300 -0.000 0.000 1.224 107 D CA -0.483 53.511 54.000 -0.010 0.000 0.999 107 D CB -0.141 40.629 40.800 -0.051 0.000 1.072 107 D HN 0.301 nan 8.370 nan 0.000 0.514 108 F N 2.145 122.104 119.950 0.015 0.000 2.325 108 F HA 0.078 4.622 4.527 0.028 0.000 0.299 108 F C 1.677 177.490 175.800 0.022 0.000 1.090 108 F CA 0.134 58.146 58.000 0.020 0.000 1.392 108 F CB -0.636 38.376 39.000 0.019 0.000 1.053 108 F HN 0.176 nan 8.300 nan 0.000 0.521 109 I N 0.579 120.698 120.570 -0.752 0.000 2.202 109 I HA -0.228 3.959 4.170 0.029 0.000 0.242 109 I C 2.521 178.531 176.117 -0.179 0.000 1.091 109 I CA 1.267 62.295 61.300 -0.453 0.000 1.368 109 I CB -0.559 37.107 38.000 -0.558 0.000 1.058 109 I HN 0.289 nan 8.210 nan 0.000 0.410 110 L N 1.090 122.216 121.223 -0.163 0.000 2.012 110 L HA -0.208 4.150 4.340 0.029 0.000 0.210 110 L C 2.647 179.506 176.870 -0.018 0.000 1.073 110 L CA 1.864 56.657 54.840 -0.079 0.000 0.748 110 L CB -0.564 41.453 42.059 -0.069 0.000 0.891 110 L HN 0.051 nan 8.230 nan 0.000 0.431 111 R N -0.577 119.930 120.500 0.012 0.000 2.081 111 R HA -0.180 4.178 4.340 0.029 0.000 0.235 111 R C 2.326 178.682 176.300 0.093 0.000 1.131 111 R CA 1.562 57.699 56.100 0.062 0.000 0.960 111 R CB -0.421 29.931 30.300 0.086 0.000 0.856 111 R HN 0.594 nan 8.270 nan 0.000 0.436 112 E N 1.224 121.484 120.200 0.100 0.000 2.051 112 E HA -0.247 4.120 4.350 0.029 0.000 0.192 112 E C 1.953 178.631 176.600 0.129 0.000 0.991 112 E CA 1.304 57.781 56.400 0.128 0.000 0.799 112 E CB 0.084 29.866 29.700 0.137 0.000 0.748 112 E HN 0.156 nan 8.360 nan 0.000 0.449 113 K N 0.214 120.659 120.400 0.076 0.000 2.057 113 K HA -0.143 4.194 4.320 0.029 0.000 0.207 113 K C 2.105 178.778 176.600 0.122 0.000 1.049 113 K CA 1.310 57.641 56.287 0.073 0.000 0.931 113 K CB -0.017 32.485 32.500 0.002 0.000 0.714 113 K HN 0.143 nan 8.250 nan 0.000 0.440 114 I N 1.314 121.940 120.570 0.092 0.000 2.353 114 I HA -0.170 4.017 4.170 0.029 0.000 0.248 114 I C 2.146 178.376 176.117 0.188 0.000 1.119 114 I CA 1.266 62.641 61.300 0.125 0.000 1.417 114 I CB -1.483 36.553 38.000 0.061 0.000 1.078 114 I HN 0.216 nan 8.210 nan 0.000 0.421 115 T N -0.105 114.550 114.554 0.169 0.000 2.684 115 T HA -0.241 4.126 4.350 0.029 0.000 0.267 115 T C 1.970 176.811 174.700 0.236 0.000 1.036 115 T CA 1.593 63.815 62.100 0.204 0.000 1.148 115 T CB -0.448 68.546 68.868 0.210 0.000 0.863 115 T HN 0.349 nan 8.240 nan 0.000 0.436 116 H N -0.132 119.033 119.070 0.159 0.000 2.353 116 H HA -0.061 4.513 4.556 0.030 0.000 0.300 116 H C 2.202 177.588 175.328 0.098 0.000 1.090 116 H CA 1.548 57.673 56.048 0.129 0.000 1.327 116 H CB -0.439 29.379 29.762 0.094 0.000 1.383 116 H HN 0.400 nan 8.280 nan 0.000 0.508 117 F N 2.094 122.110 119.950 0.110 0.000 2.095 117 F HA -0.197 4.349 4.527 0.032 0.000 0.298 117 F C 1.956 177.703 175.800 -0.089 0.000 1.104 117 F CA 1.753 59.763 58.000 0.016 0.000 1.232 117 F CB -0.337 38.665 39.000 0.003 0.000 0.987 117 F HN 0.062 nan 8.300 nan 0.000 0.475 118 D N -1.162 119.144 120.400 -0.156 0.000 2.309 118 D HA -0.141 4.517 4.640 0.029 0.000 0.212 118 D C 1.126 177.001 176.300 -0.709 0.000 0.968 118 D CA 1.199 54.938 54.000 -0.436 0.000 0.882 118 D CB -0.364 40.170 40.800 -0.443 0.000 0.918 118 D HN 0.501 nan 8.370 nan 0.000 0.503 119 H N -0.462 118.487 119.070 -0.202 0.000 2.510 119 H HA 0.231 4.804 4.556 0.028 0.000 0.266 119 H C 0.946 176.108 175.328 -0.277 0.000 1.146 119 H CA -0.111 55.812 56.048 -0.207 0.000 0.993 119 H CB 0.502 30.161 29.762 -0.172 0.000 1.727 119 H HN 0.251 nan 8.280 nan 0.000 0.590 120 E N 0.723 120.755 120.200 -0.280 0.000 2.106 120 E HA -0.042 4.325 4.350 0.029 0.000 0.192 120 E C 0.542 176.989 176.600 -0.254 0.000 0.984 120 E CA 0.573 56.786 56.400 -0.312 0.000 0.806 120 E CB 0.444 29.942 29.700 -0.337 0.000 0.750 120 E HN 0.172 nan 8.360 nan 0.000 0.458 121 R N 1.278 121.684 120.500 -0.157 0.000 2.490 121 R HA 0.342 4.700 4.340 0.029 0.000 0.278 121 R C 0.449 176.782 176.300 0.055 0.000 1.069 121 R CA -0.209 55.872 56.100 -0.031 0.000 1.080 121 R CB 0.673 30.947 30.300 -0.044 0.000 1.030 121 R HN 0.171 nan 8.270 nan 0.000 0.491 122 I N -1.087 119.576 120.570 0.154 0.000 2.797 122 I HA 0.557 4.744 4.170 0.029 0.000 0.307 122 I C -2.242 173.930 176.117 0.092 0.000 1.033 122 I CA -3.012 58.367 61.300 0.131 0.000 1.071 122 I CB 1.794 39.901 38.000 0.179 0.000 1.255 122 I HN 0.243 nan 8.210 nan 0.000 0.445 123 P HA 0.051 nan 4.420 nan 0.000 0.262 123 P C -0.814 176.513 177.300 0.044 0.000 1.182 123 P CA 0.080 63.203 63.100 0.038 0.000 0.761 123 P CB 0.352 32.064 31.700 0.020 0.000 0.795 124 E N 2.862 123.092 120.200 0.049 0.000 2.369 124 E HA 0.233 4.601 4.350 0.029 0.000 0.255 124 E C -0.393 176.233 176.600 0.043 0.000 1.172 124 E CA -0.923 55.513 56.400 0.059 0.000 0.932 124 E CB 0.623 30.365 29.700 0.071 0.000 1.040 124 E HN 0.258 nan 8.360 nan 0.000 0.454 125 R N 0.487 121.019 120.500 0.053 0.000 2.640 125 R HA -0.007 4.351 4.340 0.029 0.000 0.270 125 R C 1.361 177.695 176.300 0.057 0.000 1.024 125 R CA -0.394 55.734 56.100 0.047 0.000 1.085 125 R CB 0.256 30.603 30.300 0.078 0.000 0.963 125 R HN 0.559 nan 8.270 nan 0.000 0.426 126 I N 1.775 122.372 120.570 0.045 0.000 2.163 126 I HA -0.153 4.034 4.170 0.029 0.000 0.243 126 I C 1.227 177.403 176.117 0.099 0.000 1.085 126 I CA 1.602 62.940 61.300 0.064 0.000 1.347 126 I CB -1.071 36.969 38.000 0.067 0.000 1.044 126 I HN 0.383 nan 8.210 nan 0.000 0.408 127 V N -3.138 116.871 119.914 0.157 0.000 3.001 127 V HA 0.514 4.652 4.120 0.029 0.000 0.314 127 V C 0.347 176.633 176.094 0.319 0.000 1.099 127 V CA -0.851 61.583 62.300 0.222 0.000 0.989 127 V CB 1.755 33.790 31.823 0.353 0.000 1.040 127 V HN 0.453 nan 8.190 nan 0.000 0.434 128 H N 0.399 119.535 119.070 0.111 0.000 2.903 128 H HA -0.210 4.361 4.556 0.026 0.000 0.285 128 H C 1.497 176.876 175.328 0.084 0.000 1.231 128 H CA 0.694 56.801 56.048 0.099 0.000 1.135 128 H CB -1.209 28.604 29.762 0.085 0.000 1.328 128 H HN 1.142 nan 8.280 nan 0.000 0.388 129 A N 0.796 123.713 122.820 0.161 0.000 1.972 129 A HA -0.101 4.236 4.320 0.029 0.000 0.219 129 A C 1.703 179.380 177.584 0.153 0.000 1.169 129 A CA 1.290 53.407 52.037 0.134 0.000 0.635 129 A CB -0.065 18.993 19.000 0.097 0.000 0.810 129 A HN 0.263 nan 8.150 nan 0.000 0.446 130 R N 0.297 120.887 120.500 0.150 0.000 2.196 130 R HA 0.502 4.860 4.340 0.029 0.000 0.340 130 R C -0.120 176.305 176.300 0.209 0.000 1.043 130 R CA 0.715 56.921 56.100 0.176 0.000 0.883 130 R CB 0.129 30.517 30.300 0.148 0.000 1.078 130 R HN 0.319 nan 8.270 nan 0.000 0.462 131 G N 0.813 109.762 108.800 0.249 0.000 2.692 131 G HA2 0.516 4.493 3.960 0.029 0.000 0.291 131 G HA3 0.516 4.493 3.960 0.029 0.000 0.291 131 G C -1.569 173.495 174.900 0.273 0.000 1.423 131 G CA -0.598 44.621 45.100 0.198 0.000 0.843 131 G HN 0.469 nan 8.290 nan 0.000 0.486 132 S N -0.924 114.889 115.700 0.189 0.000 2.557 132 S HA 0.861 5.348 4.470 0.029 0.000 0.291 132 S C -0.139 174.477 174.600 0.028 0.000 1.116 132 S CA -0.236 58.126 58.200 0.270 0.000 0.992 132 S CB 1.675 65.156 63.200 0.468 0.000 1.028 132 S HN 1.443 nan 8.310 nan 0.000 0.484 133 A N 1.785 124.575 122.820 -0.050 0.000 2.469 133 A HA 1.024 5.361 4.320 0.029 0.000 0.299 133 A C -0.830 176.561 177.584 -0.322 0.000 1.098 133 A CA -0.765 51.032 52.037 -0.399 0.000 0.737 133 A CB 1.615 20.226 19.000 -0.649 0.000 1.312 133 A HN 1.255 nan 8.150 nan 0.000 0.414 134 A N 0.609 123.091 122.820 -0.564 0.000 2.606 134 A HA 0.731 5.069 4.320 0.029 0.000 0.293 134 A C -1.048 176.338 177.584 -0.330 0.000 1.082 134 A CA -0.642 51.220 52.037 -0.291 0.000 0.685 134 A CB 0.799 19.713 19.000 -0.144 0.000 1.284 134 A HN 0.882 nan 8.150 nan 0.000 0.408 135 H N -0.331 118.752 119.070 0.023 0.000 2.482 135 H HA 0.677 5.251 4.556 0.030 0.000 0.344 135 H C 0.596 175.917 175.328 -0.012 0.000 1.151 135 H CA 0.842 56.963 56.048 0.122 0.000 1.300 135 H CB 1.865 31.701 29.762 0.123 0.000 1.494 135 H HN 1.112 nan 8.280 nan 0.000 0.542 136 G N 0.624 109.517 108.800 0.156 0.000 2.578 136 G HA2 0.374 4.352 3.960 0.029 0.000 0.302 136 G HA3 0.374 4.352 3.960 0.029 0.000 0.302 136 G C -2.042 172.982 174.900 0.207 0.000 1.243 136 G CA -0.663 44.482 45.100 0.074 0.000 0.843 136 G HN 0.626 nan 8.290 nan 0.000 0.486 137 Y N -1.840 118.500 120.300 0.066 0.000 2.609 137 Y HA 0.830 5.397 4.550 0.029 0.000 0.336 137 Y C -1.753 174.291 175.900 0.241 0.000 1.129 137 Y CA -1.942 56.244 58.100 0.144 0.000 1.040 137 Y CB 1.854 40.372 38.460 0.097 0.000 1.310 137 Y HN 0.786 nan 8.280 nan 0.000 0.460 138 F N 1.902 122.009 119.950 0.262 0.000 2.563 138 F HA 0.731 5.277 4.527 0.032 0.000 0.316 138 F C -1.233 174.783 175.800 0.361 0.000 1.076 138 F CA -0.651 57.515 58.000 0.277 0.000 0.921 138 F CB 2.396 41.679 39.000 0.473 0.000 1.209 138 F HN 0.762 nan 8.300 nan 0.000 0.462 139 Q N 5.862 125.149 119.800 -0.855 0.000 2.284 139 Q HA 0.420 4.778 4.340 0.029 0.000 0.269 139 Q C -2.762 172.654 176.000 -0.973 0.000 1.026 139 Q CA -2.372 53.069 55.803 -0.603 0.000 0.831 139 Q CB 3.036 31.715 28.738 -0.097 0.000 1.322 139 Q HN 0.329 nan 8.270 nan 0.000 0.419 140 P HA 0.031 nan 4.420 nan 0.000 0.274 140 P C -0.551 176.669 177.300 -0.134 0.000 1.237 140 P CA 0.232 63.120 63.100 -0.354 0.000 0.793 140 P CB 0.497 32.139 31.700 -0.098 0.000 0.977 141 Y N 0.088 120.331 120.300 -0.094 0.000 2.490 141 Y HA 0.049 4.618 4.550 0.030 0.000 0.285 141 Y C 1.326 177.201 175.900 -0.042 0.000 1.117 141 Y CA 0.004 58.070 58.100 -0.057 0.000 1.262 141 Y CB 0.462 38.896 38.460 -0.043 0.000 1.043 141 Y HN 0.343 nan 8.280 nan 0.000 0.553 142 K N -0.903 119.559 120.400 0.103 0.000 2.607 142 K HA 0.289 4.627 4.320 0.029 0.000 0.287 142 K C -1.105 175.500 176.600 0.010 0.000 0.996 142 K CA -0.870 55.446 56.287 0.049 0.000 0.876 142 K CB 1.373 33.902 32.500 0.048 0.000 1.496 142 K HN -0.216 nan 8.250 nan 0.000 0.415 143 S N 1.149 116.852 115.700 0.004 0.000 2.533 143 S HA 0.189 4.676 4.470 0.029 0.000 0.282 143 S C 0.335 174.924 174.600 -0.018 0.000 1.304 143 S CA -0.609 57.584 58.200 -0.011 0.000 1.063 143 S CB -0.141 63.056 63.200 -0.005 0.000 0.881 143 S HN 0.542 nan 8.310 nan 0.000 0.493 144 L N 4.837 126.038 121.223 -0.035 0.000 2.928 144 L HA 0.166 4.523 4.340 0.029 0.000 0.246 144 L C 1.997 178.851 176.870 -0.027 0.000 1.239 144 L CA -0.078 54.748 54.840 -0.023 0.000 1.035 144 L CB -0.118 41.933 42.059 -0.014 0.000 1.360 144 L HN 0.872 nan 8.230 nan 0.000 0.529 145 S N -1.764 113.918 115.700 -0.029 0.000 2.442 145 S HA -0.188 4.299 4.470 0.029 0.000 0.236 145 S C 1.274 175.857 174.600 -0.028 0.000 1.007 145 S CA 1.178 59.359 58.200 -0.032 0.000 0.965 145 S CB -0.126 63.060 63.200 -0.023 0.000 0.773 145 S HN 0.395 nan 8.310 nan 0.000 0.504 146 D N 1.947 122.335 120.400 -0.020 0.000 2.219 146 D HA 0.023 4.681 4.640 0.029 0.000 0.205 146 D C 1.767 178.050 176.300 -0.028 0.000 0.970 146 D CA 1.418 55.406 54.000 -0.020 0.000 0.851 146 D CB -0.174 40.619 40.800 -0.010 0.000 0.943 146 D HN 0.823 nan 8.370 nan 0.000 0.488 147 I N -4.372 116.181 120.570 -0.028 0.000 4.323 147 I HA 0.235 4.422 4.170 0.029 0.000 0.328 147 I C 0.456 176.530 176.117 -0.071 0.000 1.310 147 I CA -0.072 61.202 61.300 -0.043 0.000 1.186 147 I CB 1.119 39.112 38.000 -0.013 0.000 1.130 147 I HN -0.246 nan 8.210 nan 0.000 0.411 148 T N 1.554 116.070 114.554 -0.065 0.000 2.982 148 T HA 0.319 4.687 4.350 0.029 0.000 0.321 148 T C -0.088 174.559 174.700 -0.088 0.000 1.229 148 T CA -0.685 61.358 62.100 -0.095 0.000 1.044 148 T CB 1.819 70.618 68.868 -0.115 0.000 1.184 148 T HN 0.421 nan 8.240 nan 0.000 0.477 149 K N 2.495 122.842 120.400 -0.088 0.000 2.417 149 K HA 0.572 4.909 4.320 0.029 0.000 0.196 149 K C 0.752 177.315 176.600 -0.062 0.000 1.023 149 K CA -0.286 55.962 56.287 -0.066 0.000 1.122 149 K CB 0.213 32.680 32.500 -0.055 0.000 0.850 149 K HN 0.516 nan 8.250 nan 0.000 0.521 150 A N 2.183 124.944 122.820 -0.099 0.000 2.545 150 A HA -0.076 4.262 4.320 0.029 0.000 0.253 150 A C 0.586 178.133 177.584 -0.061 0.000 1.074 150 A CA 0.201 52.188 52.037 -0.082 0.000 0.760 150 A CB -0.028 18.857 19.000 -0.193 0.000 1.005 150 A HN 0.491 nan 8.150 nan 0.000 0.506 151 D N 2.275 122.711 120.400 0.060 0.000 2.123 151 D HA -0.245 4.412 4.640 0.029 0.000 0.196 151 D C 1.385 177.758 176.300 0.123 0.000 0.992 151 D CA 2.312 56.364 54.000 0.086 0.000 0.833 151 D CB -0.241 40.633 40.800 0.123 0.000 0.954 151 D HN 0.755 nan 8.370 nan 0.000 0.455 152 F N -0.531 119.447 119.950 0.046 0.000 2.546 152 F HA 0.103 4.648 4.527 0.030 0.000 0.298 152 F C 1.100 176.988 175.800 0.148 0.000 1.120 152 F CA 0.507 58.574 58.000 0.112 0.000 1.456 152 F CB -0.239 38.830 39.000 0.115 0.000 1.088 152 F HN -0.040 nan 8.300 nan 0.000 0.572 153 L N 0.725 121.653 121.223 -0.491 0.000 2.769 153 L HA 0.180 4.538 4.340 0.029 0.000 0.240 153 L C 2.021 178.803 176.870 -0.146 0.000 1.163 153 L CA 0.371 54.988 54.840 -0.372 0.000 0.962 153 L CB -0.132 41.594 42.059 -0.556 0.000 1.258 153 L HN 0.305 nan 8.230 nan 0.000 0.513 154 S N -1.967 113.688 115.700 -0.075 0.000 2.496 154 S HA 0.003 4.490 4.470 0.029 0.000 0.224 154 S C 0.385 174.982 174.600 -0.005 0.000 0.996 154 S CA 0.105 58.286 58.200 -0.031 0.000 0.927 154 S CB -0.019 63.178 63.200 -0.006 0.000 0.774 154 S HN 0.428 nan 8.310 nan 0.000 0.524 155 D N 0.183 120.589 120.400 0.011 0.000 2.886 155 D HA 0.361 5.019 4.640 0.029 0.000 0.216 155 D C -2.643 173.672 176.300 0.025 0.000 1.256 155 D CA -1.794 52.218 54.000 0.021 0.000 0.844 155 D CB 1.833 42.652 40.800 0.032 0.000 1.669 155 D HN -0.203 nan 8.370 nan 0.000 0.513 156 P HA -0.031 nan 4.420 nan 0.000 0.222 156 P C 0.289 177.608 177.300 0.031 0.000 1.147 156 P CA 0.933 64.047 63.100 0.024 0.000 0.790 156 P CB 0.107 31.832 31.700 0.042 0.000 0.780 157 N N -0.803 117.919 118.700 0.036 0.000 2.398 157 N HA -0.001 4.756 4.740 0.029 0.000 0.188 157 N C 0.662 176.205 175.510 0.055 0.000 1.122 157 N CA -0.102 52.972 53.050 0.039 0.000 0.866 157 N CB -0.064 38.442 38.487 0.031 0.000 0.970 157 N HN 0.096 nan 8.380 nan 0.000 0.462 158 K N 1.946 122.390 120.400 0.073 0.000 2.310 158 K HA 0.233 4.571 4.320 0.029 0.000 0.290 158 K C -0.852 175.842 176.600 0.156 0.000 1.077 158 K CA -0.081 56.275 56.287 0.115 0.000 0.922 158 K CB 0.367 32.949 32.500 0.136 0.000 1.057 158 K HN 0.040 nan 8.250 nan 0.000 0.479 159 I N 3.964 124.627 120.570 0.155 0.000 2.315 159 I HA 0.131 4.318 4.170 0.029 0.000 0.291 159 I C -0.172 176.112 176.117 0.279 0.000 1.006 159 I CA -0.447 60.974 61.300 0.203 0.000 1.265 159 I CB 1.809 39.873 38.000 0.107 0.000 1.387 159 I HN 0.504 nan 8.210 nan 0.000 0.475 160 T N 7.626 122.434 114.554 0.423 0.000 2.758 160 T HA 0.347 4.714 4.350 0.029 0.000 0.285 160 T C -2.462 172.498 174.700 0.434 0.000 0.981 160 T CA -1.455 60.915 62.100 0.450 0.000 0.965 160 T CB 1.324 70.561 68.868 0.615 0.000 0.927 160 T HN 0.245 nan 8.240 nan 0.000 0.448 161 P HA 0.259 nan 4.420 nan 0.000 0.268 161 P C -0.632 176.909 177.300 0.402 0.000 1.205 161 P CA -0.406 62.889 63.100 0.326 0.000 0.771 161 P CB 0.503 32.314 31.700 0.184 0.000 0.858 162 V N -0.068 120.023 119.914 0.295 0.000 3.040 162 V HA 0.741 4.878 4.120 0.029 0.000 0.312 162 V C -1.387 174.851 176.094 0.241 0.000 1.115 162 V CA -0.966 61.403 62.300 0.115 0.000 0.998 162 V CB 2.308 33.979 31.823 -0.254 0.000 1.042 162 V HN 0.321 nan 8.190 nan 0.000 0.433 163 F N 2.298 122.218 119.950 -0.050 0.000 2.539 163 F HA 0.821 5.363 4.527 0.025 0.000 0.328 163 F C -0.880 174.813 175.800 -0.178 0.000 1.148 163 F CA -0.745 57.173 58.000 -0.136 0.000 0.940 163 F CB 1.817 40.765 39.000 -0.086 0.000 1.194 163 F HN 0.524 nan 8.300 nan 0.000 0.438 164 V N 6.609 126.054 119.914 -0.783 0.000 2.513 164 V HA 0.578 4.715 4.120 0.029 0.000 0.299 164 V C -0.590 174.825 176.094 -1.133 0.000 1.035 164 V CA -0.825 60.932 62.300 -0.905 0.000 0.889 164 V CB 1.943 33.170 31.823 -0.994 0.000 0.988 164 V HN 0.709 nan 8.190 nan 0.000 0.440 165 R N 3.695 123.518 120.500 -1.128 0.000 2.439 165 R HA 0.596 4.954 4.340 0.029 0.000 0.310 165 R C -1.662 174.030 176.300 -1.014 0.000 0.955 165 R CA -0.433 55.120 56.100 -0.911 0.000 0.853 165 R CB 1.113 31.086 30.300 -0.545 0.000 1.171 165 R HN 0.541 nan 8.270 nan 0.000 0.449 166 F N 2.089 121.620 119.950 -0.698 0.000 2.397 166 F HA 0.510 5.055 4.527 0.030 0.000 0.331 166 F C 0.542 175.988 175.800 -0.590 0.000 1.090 166 F CA -0.142 57.324 58.000 -0.890 0.000 1.065 166 F CB 2.103 40.050 39.000 -1.757 0.000 1.184 166 F HN 0.621 nan 8.300 nan 0.000 0.499 167 S N -0.913 114.707 115.700 -0.133 0.000 2.656 167 S HA 0.693 5.180 4.470 0.029 0.000 0.273 167 S C -0.556 174.162 174.600 0.196 0.000 1.168 167 S CA -0.833 57.426 58.200 0.097 0.000 0.817 167 S CB 1.445 64.757 63.200 0.186 0.000 1.146 167 S HN 0.695 nan 8.310 nan 0.000 0.475 168 T N -1.725 112.942 114.554 0.189 0.000 2.902 168 T HA 0.702 5.069 4.350 0.029 0.000 0.287 168 T C 0.729 175.377 174.700 -0.087 0.000 1.048 168 T CA -0.183 61.989 62.100 0.119 0.000 0.941 168 T CB 0.434 69.387 68.868 0.141 0.000 1.432 168 T HN 0.592 nan 8.240 nan 0.000 0.586 169 V N -0.241 119.590 119.914 -0.138 0.000 2.996 169 V HA 0.127 4.264 4.120 0.029 0.000 0.235 169 V C 2.715 178.751 176.094 -0.096 0.000 1.205 169 V CA 0.292 62.401 62.300 -0.319 0.000 1.225 169 V CB -0.150 31.561 31.823 -0.187 0.000 0.995 169 V HN 0.853 nan 8.190 nan 0.000 0.484 170 Q N 1.079 120.851 119.800 -0.048 0.000 2.033 170 Q HA 0.065 4.422 4.340 0.029 0.000 0.196 170 Q C 1.315 177.299 176.000 -0.028 0.000 0.970 170 Q CA 1.408 57.182 55.803 -0.049 0.000 0.828 170 Q CB -0.301 28.391 28.738 -0.076 0.000 0.895 170 Q HN 0.583 nan 8.270 nan 0.000 0.440 171 G N -0.117 108.678 108.800 -0.008 0.000 2.636 171 G HA2 0.359 4.337 3.960 0.029 0.000 0.246 171 G HA3 0.359 4.337 3.960 0.029 0.000 0.246 171 G C 0.185 175.097 174.900 0.019 0.000 1.216 171 G CA 0.077 45.177 45.100 -0.001 0.000 0.854 171 G HN 0.347 nan 8.290 nan 0.000 0.572 172 G N -1.065 107.741 108.800 0.010 0.000 2.653 172 G HA2 0.469 4.446 3.960 0.029 0.000 0.265 172 G HA3 0.469 4.446 3.960 0.029 0.000 0.265 172 G C 1.344 176.276 174.900 0.052 0.000 1.237 172 G CA 0.447 45.562 45.100 0.026 0.000 0.946 172 G HN 1.078 nan 8.290 nan 0.000 0.522 173 A N -0.792 122.068 122.820 0.067 0.000 2.019 173 A HA 0.131 4.468 4.320 0.029 0.000 0.219 173 A C 2.271 179.894 177.584 0.065 0.000 1.164 173 A CA 1.989 54.084 52.037 0.097 0.000 0.644 173 A CB -0.414 18.658 19.000 0.121 0.000 0.805 173 A HN 1.091 nan 8.150 nan 0.000 0.449 174 G N -0.216 108.603 108.800 0.032 0.000 3.141 174 G HA2 0.310 4.288 3.960 0.029 0.000 0.218 174 G HA3 0.310 4.288 3.960 0.029 0.000 0.218 174 G C 0.774 175.675 174.900 0.003 0.000 1.170 174 G CA 0.671 45.775 45.100 0.006 0.000 0.769 174 G HN 0.660 nan 8.290 nan 0.000 0.546 175 S N -0.161 115.550 115.700 0.018 0.000 2.661 175 S HA 0.726 5.213 4.470 0.029 0.000 0.265 175 S C 0.423 175.037 174.600 0.022 0.000 1.225 175 S CA -0.086 58.121 58.200 0.011 0.000 0.986 175 S CB 1.515 64.723 63.200 0.014 0.000 1.008 175 S HN 0.540 nan 8.310 nan 0.000 0.565 176 A N 0.075 122.904 122.820 0.015 0.000 2.302 176 A HA 0.471 4.808 4.320 0.029 0.000 0.285 176 A C 0.545 178.149 177.584 0.034 0.000 1.105 176 A CA -0.643 51.400 52.037 0.009 0.000 0.816 176 A CB 0.031 19.019 19.000 -0.021 0.000 1.067 176 A HN 0.842 nan 8.150 nan 0.000 0.489 177 D N 0.550 120.961 120.400 0.017 0.000 2.120 177 D HA -0.071 4.587 4.640 0.029 0.000 0.202 177 D C 1.670 177.943 176.300 -0.045 0.000 0.972 177 D CA 2.277 56.297 54.000 0.034 0.000 0.837 177 D CB -0.339 40.440 40.800 -0.036 0.000 0.989 177 D HN 0.679 nan 8.370 nan 0.000 0.469 178 T N 0.005 114.445 114.554 -0.190 0.000 3.500 178 T HA 0.250 4.617 4.350 0.029 0.000 0.244 178 T C 0.905 175.589 174.700 -0.027 0.000 0.962 178 T CA -0.517 61.474 62.100 -0.181 0.000 0.932 178 T CB -1.110 67.575 68.868 -0.305 0.000 1.096 178 T HN -0.066 nan 8.240 nan 0.000 0.617 179 V N -1.401 118.548 119.914 0.058 0.000 3.441 179 V HA 0.441 4.578 4.120 0.029 0.000 0.300 179 V C 0.694 176.926 176.094 0.229 0.000 1.091 179 V CA -1.450 60.934 62.300 0.140 0.000 1.099 179 V CB 0.439 32.333 31.823 0.119 0.000 1.138 179 V HN 0.525 nan 8.190 nan 0.000 0.471 180 R N 1.361 122.045 120.500 0.307 0.000 2.202 180 R HA 0.503 4.860 4.340 0.029 0.000 0.334 180 R C -1.056 175.326 176.300 0.136 0.000 1.036 180 R CA -0.117 56.127 56.100 0.240 0.000 0.878 180 R CB 0.232 30.617 30.300 0.143 0.000 1.067 180 R HN 1.065 nan 8.270 nan 0.000 0.457 181 D N 3.183 123.673 120.400 0.151 0.000 2.725 181 D HA 0.197 4.855 4.640 0.029 0.000 0.292 181 D C -0.750 175.658 176.300 0.181 0.000 1.288 181 D CA -0.602 53.475 54.000 0.129 0.000 0.784 181 D CB 1.211 42.075 40.800 0.107 0.000 1.308 181 D HN 0.227 nan 8.370 nan 0.000 0.429 182 I N 1.289 121.980 120.570 0.202 0.000 2.720 182 I HA 0.299 4.486 4.170 0.029 0.000 0.287 182 I C 0.752 176.991 176.117 0.204 0.000 1.090 182 I CA -0.176 61.252 61.300 0.213 0.000 1.384 182 I CB 0.284 38.442 38.000 0.262 0.000 1.420 182 I HN 0.256 nan 8.210 nan 0.000 0.575 183 R N 2.686 123.328 120.500 0.236 0.000 2.637 183 R HA 0.568 4.926 4.340 0.029 0.000 0.291 183 R C -0.095 176.377 176.300 0.287 0.000 0.963 183 R CA -0.756 55.496 56.100 0.254 0.000 0.901 183 R CB 1.538 32.017 30.300 0.298 0.000 1.160 183 R HN 0.799 nan 8.270 nan 0.000 0.457 184 G N 0.858 109.845 108.800 0.312 0.000 2.448 184 G HA2 0.486 4.463 3.960 0.029 0.000 0.285 184 G HA3 0.486 4.463 3.960 0.029 0.000 0.285 184 G C -1.289 173.696 174.900 0.143 0.000 1.176 184 G CA -0.079 45.219 45.100 0.330 0.000 0.852 184 G HN 0.356 nan 8.290 nan 0.000 0.530 185 F N 1.843 121.704 119.950 -0.150 0.000 2.949 185 F HA 0.637 5.179 4.527 0.026 0.000 0.376 185 F C -0.198 175.299 175.800 -0.505 0.000 1.205 185 F CA -1.807 55.990 58.000 -0.339 0.000 1.155 185 F CB 1.009 39.919 39.000 -0.150 0.000 1.495 185 F HN 0.660 nan 8.300 nan 0.000 0.551 186 A N 3.305 125.834 122.820 -0.484 0.000 2.318 186 A HA 0.782 5.119 4.320 0.029 0.000 0.324 186 A C -0.588 176.513 177.584 -0.805 0.000 1.170 186 A CA -0.442 51.142 52.037 -0.755 0.000 0.810 186 A CB 0.788 18.978 19.000 -1.349 0.000 1.198 186 A HN 0.535 nan 8.150 nan 0.000 0.484 187 T N 2.400 116.647 114.554 -0.511 0.000 2.809 187 T HA 0.374 4.742 4.350 0.029 0.000 0.284 187 T C -0.333 174.150 174.700 -0.361 0.000 0.992 187 T CA -0.463 61.345 62.100 -0.486 0.000 0.957 187 T CB 0.987 69.519 68.868 -0.560 0.000 0.942 187 T HN 0.628 nan 8.240 nan 0.000 0.439 188 K N 3.632 123.919 120.400 -0.188 0.000 2.264 188 K HA 0.428 4.765 4.320 0.029 0.000 0.277 188 K C -1.224 175.052 176.600 -0.540 0.000 1.067 188 K CA -0.591 55.517 56.287 -0.299 0.000 0.900 188 K CB 0.306 32.595 32.500 -0.353 0.000 1.124 188 K HN 0.388 nan 8.250 nan 0.000 0.469 189 F N 4.270 123.933 119.950 -0.478 0.000 2.391 189 F HA 0.224 4.767 4.527 0.026 0.000 0.359 189 F C -0.353 175.246 175.800 -0.336 0.000 1.122 189 F CA -0.553 57.231 58.000 -0.360 0.000 1.120 189 F CB 0.642 39.344 39.000 -0.497 0.000 1.142 189 F HN 0.434 nan 8.300 nan 0.000 0.483 190 Y N 1.920 122.282 120.300 0.104 0.000 2.632 190 Y HA 0.221 4.789 4.550 0.031 0.000 0.336 190 Y C 1.072 177.033 175.900 0.101 0.000 1.237 190 Y CA -0.880 57.263 58.100 0.072 0.000 1.595 190 Y CB -0.277 38.214 38.460 0.052 0.000 1.508 190 Y HN 0.567 nan 8.280 nan 0.000 0.480 191 T N -2.460 112.196 114.554 0.170 0.000 2.788 191 T HA 0.166 4.533 4.350 0.029 0.000 0.280 191 T C 0.955 175.754 174.700 0.165 0.000 0.984 191 T CA -0.694 61.513 62.100 0.177 0.000 0.972 191 T CB 1.016 69.968 68.868 0.140 0.000 1.039 191 T HN 0.637 nan 8.240 nan 0.000 0.530 192 E N -0.151 120.148 120.200 0.166 0.000 2.482 192 E HA -0.002 4.365 4.350 0.029 0.000 0.196 192 E C 0.898 177.567 176.600 0.115 0.000 1.047 192 E CA 0.530 57.009 56.400 0.131 0.000 0.869 192 E CB 0.129 29.903 29.700 0.122 0.000 0.836 192 E HN 0.711 nan 8.360 nan 0.000 0.520 193 E N 0.280 120.552 120.200 0.120 0.000 2.789 193 E HA 0.271 4.638 4.350 0.029 0.000 0.208 193 E C 0.069 176.723 176.600 0.089 0.000 0.988 193 E CA -0.281 56.181 56.400 0.105 0.000 1.092 193 E CB 1.352 31.117 29.700 0.108 0.000 1.066 193 E HN 0.179 nan 8.360 nan 0.000 0.465 194 G N 1.167 110.014 108.800 0.078 0.000 2.406 194 G HA2 -0.101 3.877 3.960 0.029 0.000 0.680 194 G HA3 -0.101 3.877 3.960 0.029 0.000 0.680 194 G C -0.944 173.970 174.900 0.024 0.000 1.338 194 G CA -1.113 44.010 45.100 0.038 0.000 0.941 194 G HN 0.022 nan 8.290 nan 0.000 0.633 195 I N 0.735 121.282 120.570 -0.038 0.000 2.496 195 I HA 0.433 4.621 4.170 0.029 0.000 0.285 195 I C 0.058 176.190 176.117 0.025 0.000 1.080 195 I CA -0.080 61.172 61.300 -0.080 0.000 1.404 195 I CB 0.862 38.745 38.000 -0.196 0.000 1.403 195 I HN 0.489 nan 8.210 nan 0.000 0.539 196 F N 6.645 126.505 119.950 -0.151 0.000 2.460 196 F HA 0.456 5.000 4.527 0.028 0.000 0.341 196 F C -0.696 175.077 175.800 -0.045 0.000 1.130 196 F CA -1.231 56.678 58.000 -0.151 0.000 0.962 196 F CB 0.812 39.586 39.000 -0.376 0.000 1.171 196 F HN 0.333 nan 8.300 nan 0.000 0.436 197 D N 6.656 126.844 120.400 -0.352 0.000 2.280 197 D HA 0.252 4.909 4.640 0.029 0.000 0.236 197 D C -0.935 174.892 176.300 -0.788 0.000 1.082 197 D CA -0.119 53.621 54.000 -0.434 0.000 0.834 197 D CB 2.095 42.841 40.800 -0.091 0.000 1.100 197 D HN 0.513 nan 8.370 nan 0.000 0.486 198 L N 4.008 124.731 121.223 -0.832 0.000 2.272 198 L HA 0.298 4.655 4.340 0.029 0.000 0.284 198 L C -1.151 175.503 176.870 -0.359 0.000 1.045 198 L CA -0.678 53.768 54.840 -0.657 0.000 0.842 198 L CB 1.004 42.682 42.059 -0.635 0.000 1.224 198 L HN 0.058 nan 8.230 nan 0.000 0.430 199 V N 6.241 125.982 119.914 -0.288 0.000 2.270 199 V HA 0.727 4.865 4.120 0.029 0.000 0.263 199 V C 0.870 176.873 176.094 -0.152 0.000 1.066 199 V CA 0.036 62.178 62.300 -0.264 0.000 0.857 199 V CB 0.127 31.750 31.823 -0.333 0.000 1.099 199 V HN 0.892 nan 8.190 nan 0.000 0.476 200 G N 3.315 112.041 108.800 -0.123 0.000 2.932 200 G HA2 0.656 4.634 3.960 0.029 0.000 0.283 200 G HA3 0.656 4.634 3.960 0.029 0.000 0.283 200 G C -0.878 174.049 174.900 0.045 0.000 1.336 200 G CA -0.617 44.463 45.100 -0.034 0.000 1.056 200 G HN 0.479 nan 8.290 nan 0.000 0.522 201 N N -0.956 117.813 118.700 0.115 0.000 2.701 201 N HA 0.247 5.004 4.740 0.029 0.000 0.290 201 N C 0.385 176.061 175.510 0.278 0.000 1.338 201 N CA -0.750 52.425 53.050 0.209 0.000 0.799 201 N CB 1.378 39.980 38.487 0.191 0.000 1.491 201 N HN 0.527 nan 8.380 nan 0.000 0.540 202 N N -1.383 117.498 118.700 0.302 0.000 2.322 202 N HA -0.008 4.750 4.740 0.029 0.000 0.194 202 N C -0.543 175.205 175.510 0.397 0.000 1.126 202 N CA -0.058 53.219 53.050 0.379 0.000 0.845 202 N CB -0.174 38.519 38.487 0.343 0.000 0.976 202 N HN 0.537 nan 8.380 nan 0.000 0.475 203 T N -3.500 111.109 114.554 0.092 0.000 2.900 203 T HA 0.441 4.808 4.350 0.029 0.000 0.295 203 T C -2.578 171.496 174.700 -1.042 0.000 1.044 203 T CA -1.666 60.068 62.100 -0.611 0.000 0.995 203 T CB 2.948 71.341 68.868 -0.792 0.000 1.072 203 T HN -0.261 nan 8.240 nan 0.000 0.473 204 P HA 0.165 nan 4.420 nan 0.000 0.245 204 P C 0.430 177.181 177.300 -0.916 0.000 1.212 204 P CA 0.186 62.300 63.100 -1.643 0.000 0.774 204 P CB -0.125 30.563 31.700 -1.687 0.000 0.999 205 I N -4.814 115.212 120.570 -0.908 0.000 3.264 205 I HA 0.539 4.727 4.170 0.029 0.000 0.315 205 I C -1.336 174.498 176.117 -0.470 0.000 1.154 205 I CA -1.991 58.934 61.300 -0.624 0.000 0.962 205 I CB 1.439 39.042 38.000 -0.661 0.000 1.265 205 I HN -0.251 nan 8.210 nan 0.000 0.463 206 F N 0.621 120.287 119.950 -0.472 0.000 2.557 206 F HA 0.511 5.060 4.527 0.036 0.000 0.336 206 F C 0.472 176.036 175.800 -0.393 0.000 1.058 206 F CA -0.718 57.042 58.000 -0.401 0.000 0.988 206 F CB 1.865 40.752 39.000 -0.187 0.000 1.275 206 F HN 0.406 nan 8.300 nan 0.000 0.488 207 F N 2.167 121.369 119.950 -1.246 0.000 2.234 207 F HA -0.013 4.529 4.527 0.025 0.000 0.299 207 F C 0.738 176.266 175.800 -0.454 0.000 1.087 207 F CA 0.958 58.408 58.000 -0.915 0.000 1.340 207 F CB -0.167 37.883 39.000 -1.584 0.000 1.031 207 F HN 0.139 nan 8.300 nan 0.000 0.500 208 I N -3.236 117.315 120.570 -0.030 0.000 3.002 208 I HA 0.357 4.545 4.170 0.029 0.000 0.310 208 I C 0.344 176.607 176.117 0.244 0.000 1.087 208 I CA -0.853 60.543 61.300 0.160 0.000 1.017 208 I CB 1.880 40.030 38.000 0.249 0.000 1.226 208 I HN -0.130 nan 8.210 nan 0.000 0.443 209 Q N 0.409 120.352 119.800 0.238 0.000 2.259 209 Q HA 0.128 4.485 4.340 0.029 0.000 0.201 209 Q C -0.257 175.910 176.000 0.277 0.000 0.938 209 Q CA 0.635 56.617 55.803 0.297 0.000 0.872 209 Q CB 0.401 29.384 28.738 0.408 0.000 0.971 209 Q HN 0.661 nan 8.270 nan 0.000 0.494 210 D N -1.003 119.533 120.400 0.227 0.000 2.362 210 D HA 0.318 4.975 4.640 0.029 0.000 0.247 210 D C 0.014 176.433 176.300 0.200 0.000 1.050 210 D CA -0.266 53.839 54.000 0.174 0.000 0.839 210 D CB 1.832 42.708 40.800 0.127 0.000 1.283 210 D HN 0.038 nan 8.370 nan 0.000 0.477 211 A N 3.283 126.192 122.820 0.148 0.000 2.076 211 A HA -0.233 4.105 4.320 0.029 0.000 0.220 211 A C 1.780 179.476 177.584 0.187 0.000 1.160 211 A CA 1.650 53.770 52.037 0.138 0.000 0.653 211 A CB -0.760 18.268 19.000 0.048 0.000 0.801 211 A HN 0.807 nan 8.150 nan 0.000 0.455 212 H N 0.110 119.236 119.070 0.094 0.000 2.456 212 H HA -0.000 4.576 4.556 0.033 0.000 0.296 212 H C 1.466 176.870 175.328 0.125 0.000 1.079 212 H CA 1.838 57.935 56.048 0.081 0.000 1.322 212 H CB 0.057 29.844 29.762 0.042 0.000 1.388 212 H HN 0.394 nan 8.280 nan 0.000 0.538 213 K N -0.491 120.023 120.400 0.190 0.000 2.417 213 K HA -0.030 4.308 4.320 0.029 0.000 0.196 213 K C 1.210 177.945 176.600 0.225 0.000 1.023 213 K CA -0.083 56.316 56.287 0.186 0.000 1.122 213 K CB 0.062 32.730 32.500 0.280 0.000 0.850 213 K HN 0.289 nan 8.250 nan 0.000 0.521 214 F N 2.973 122.970 119.950 0.079 0.000 2.102 214 F HA -0.129 4.401 4.527 0.005 0.000 0.298 214 F C -1.007 174.804 175.800 0.019 0.000 1.105 214 F CA 1.324 59.396 58.000 0.119 0.000 1.239 214 F CB -0.455 38.607 39.000 0.103 0.000 0.991 214 F HN 0.026 nan 8.300 nan 0.000 0.474 215 P HA -0.150 nan 4.420 nan 0.000 0.216 215 P C 1.002 177.976 177.300 -0.543 0.000 1.150 215 P CA 1.802 64.662 63.100 -0.400 0.000 0.837 215 P CB -0.078 31.408 31.700 -0.357 0.000 0.786 216 D N -1.220 119.013 120.400 -0.279 0.000 2.084 216 D HA -0.155 4.503 4.640 0.029 0.000 0.196 216 D C 1.837 177.859 176.300 -0.464 0.000 0.985 216 D CA 1.040 54.921 54.000 -0.198 0.000 0.826 216 D CB -0.917 39.941 40.800 0.097 0.000 0.978 216 D HN 0.148 nan 8.370 nan 0.000 0.456 217 F N 1.956 121.501 119.950 -0.675 0.000 2.095 217 F HA -0.238 4.301 4.527 0.019 0.000 0.298 217 F C 2.278 177.683 175.800 -0.659 0.000 1.104 217 F CA 1.206 58.599 58.000 -1.013 0.000 1.232 217 F CB -0.259 38.400 39.000 -0.568 0.000 0.987 217 F HN -0.248 nan 8.300 nan 0.000 0.475 218 V N 0.428 119.924 119.914 -0.696 0.000 2.343 218 V HA -0.354 3.783 4.120 0.029 0.000 0.247 218 V C 2.304 178.180 176.094 -0.364 0.000 1.051 218 V CA 2.510 64.446 62.300 -0.607 0.000 1.036 218 V CB -1.075 30.403 31.823 -0.575 0.000 0.654 218 V HN 0.487 nan 8.190 nan 0.000 0.451 219 H N -0.335 118.510 119.070 -0.375 0.000 2.387 219 H HA -0.126 4.449 4.556 0.031 0.000 0.299 219 H C 2.332 177.508 175.328 -0.253 0.000 1.090 219 H CA 1.017 56.922 56.048 -0.238 0.000 1.332 219 H CB 0.006 29.680 29.762 -0.146 0.000 1.386 219 H HN 0.488 nan 8.280 nan 0.000 0.516 220 A N 0.461 123.108 122.820 -0.288 0.000 1.902 220 A HA -0.128 4.210 4.320 0.029 0.000 0.217 220 A C 2.522 179.954 177.584 -0.254 0.000 1.181 220 A CA 1.483 53.343 52.037 -0.294 0.000 0.623 220 A CB -0.770 17.918 19.000 -0.521 0.000 0.818 220 A HN 0.303 nan 8.150 nan 0.000 0.443 221 V N -0.123 119.516 119.914 -0.460 0.000 2.591 221 V HA -0.018 4.119 4.120 0.029 0.000 0.249 221 V C 0.940 177.006 176.094 -0.047 0.000 1.053 221 V CA 0.876 62.984 62.300 -0.320 0.000 1.068 221 V CB -0.470 30.970 31.823 -0.639 0.000 0.689 221 V HN 0.354 nan 8.190 nan 0.000 0.462 222 K N 1.022 121.357 120.400 -0.107 0.000 2.234 222 K HA 0.183 4.521 4.320 0.029 0.000 0.251 222 K C -2.282 174.275 176.600 -0.073 0.000 1.011 222 K CA -1.541 54.698 56.287 -0.080 0.000 0.889 222 K CB -0.456 31.992 32.500 -0.087 0.000 1.011 222 K HN 0.171 nan 8.250 nan 0.000 0.505 223 P HA -0.047 nan 4.420 nan 0.000 0.264 223 P C -0.509 176.731 177.300 -0.099 0.000 1.183 223 P CA 0.517 63.484 63.100 -0.222 0.000 0.763 223 P CB 0.285 31.863 31.700 -0.202 0.000 0.807 224 E N 5.658 125.845 120.200 -0.021 0.000 2.415 224 E HA -0.027 4.341 4.350 0.029 0.000 0.262 224 E C -1.184 175.495 176.600 0.131 0.000 1.038 224 E CA -1.231 55.268 56.400 0.165 0.000 0.921 224 E CB 0.078 30.009 29.700 0.385 0.000 0.950 224 E HN 0.425 nan 8.360 nan 0.000 0.438 225 P HA -0.218 nan 4.420 nan 0.000 0.219 225 P C 1.051 178.431 177.300 0.133 0.000 1.150 225 P CA 1.476 64.626 63.100 0.083 0.000 0.814 225 P CB -0.017 31.705 31.700 0.036 0.000 0.787 226 H N -0.630 118.481 119.070 0.068 0.000 2.299 226 H HA -0.103 4.470 4.556 0.028 0.000 0.302 226 H C 1.496 176.928 175.328 0.172 0.000 1.078 226 H CA 1.614 57.691 56.048 0.049 0.000 1.323 226 H CB -1.492 28.228 29.762 -0.071 0.000 1.381 226 H HN 0.320 nan 8.280 nan 0.000 0.498 227 W N -0.042 120.924 121.300 -0.557 0.000 2.870 227 W HA 0.704 5.380 4.660 0.026 0.000 0.358 227 W C 0.391 176.745 176.519 -0.274 0.000 1.043 227 W CA -1.261 55.864 57.345 -0.366 0.000 1.692 227 W CB -0.800 28.406 29.460 -0.424 0.000 1.100 227 W HN 0.462 nan 8.180 nan 0.000 0.557 228 A N 1.452 124.241 122.820 -0.052 0.000 2.519 228 A HA -0.135 4.202 4.320 0.029 0.000 0.297 228 A C -0.445 176.899 177.584 -0.400 0.000 1.472 228 A CA 1.460 53.390 52.037 -0.178 0.000 0.739 228 A CB -2.362 16.562 19.000 -0.126 0.000 1.096 228 A HN 0.480 nan 8.150 nan 0.000 0.414 229 I N 0.711 120.898 120.570 -0.639 0.000 2.686 229 I HA 0.552 4.739 4.170 0.029 0.000 0.295 229 I C -2.546 173.261 176.117 -0.517 0.000 1.114 229 I CA -2.338 58.495 61.300 -0.779 0.000 1.038 229 I CB 3.059 40.115 38.000 -1.573 0.000 1.238 229 I HN 0.218 nan 8.210 nan 0.000 0.420 230 P HA 0.336 nan 4.420 nan 0.000 0.295 230 P C -1.589 175.542 177.300 -0.281 0.000 1.319 230 P CA -0.903 61.969 63.100 -0.379 0.000 0.940 230 P CB 1.578 33.132 31.700 -0.244 0.000 1.192 231 Q N 0.852 120.532 119.800 -0.199 0.000 2.286 231 Q HA 0.478 4.836 4.340 0.029 0.000 0.257 231 Q C 1.100 177.058 176.000 -0.069 0.000 0.941 231 Q CA 0.985 56.710 55.803 -0.129 0.000 0.912 231 Q CB -0.348 28.324 28.738 -0.110 0.000 1.192 231 Q HN 0.812 nan 8.270 nan 0.000 0.410 232 G N 3.239 112.009 108.800 -0.050 0.000 2.283 232 G HA2 -0.305 3.672 3.960 0.029 0.000 0.280 232 G HA3 -0.305 3.672 3.960 0.029 0.000 0.280 232 G C -0.397 174.515 174.900 0.019 0.000 1.029 232 G CA 0.670 45.766 45.100 -0.007 0.000 0.840 232 G HN 0.549 nan 8.290 nan 0.000 0.505 233 Q N -1.128 118.671 119.800 -0.003 0.000 2.331 233 Q HA 0.564 4.922 4.340 0.029 0.000 0.272 233 Q C 0.803 176.818 176.000 0.025 0.000 1.062 233 Q CA -0.113 55.718 55.803 0.046 0.000 0.806 233 Q CB 1.819 30.622 28.738 0.108 0.000 1.312 233 Q HN 0.445 nan 8.270 nan 0.000 0.431 234 S N -0.419 115.207 115.700 -0.124 0.000 2.556 234 S HA 0.194 4.682 4.470 0.029 0.000 0.216 234 S C 0.916 175.465 174.600 -0.086 0.000 0.970 234 S CA 0.017 57.918 58.200 -0.499 0.000 0.912 234 S CB 0.386 62.761 63.200 -1.374 0.000 0.790 234 S HN 0.592 nan 8.310 nan 0.000 0.504 235 A N 2.340 125.299 122.820 0.231 0.000 3.048 235 A HA 0.487 4.824 4.320 0.029 0.000 0.264 235 A C 0.126 177.949 177.584 0.400 0.000 1.796 235 A CA -0.515 51.741 52.037 0.366 0.000 1.445 235 A CB -1.360 17.790 19.000 0.251 0.000 1.074 235 A HN 0.907 nan 8.150 nan 0.000 0.621 236 H N -3.649 115.609 119.070 0.313 0.000 3.017 236 H HA 0.518 5.091 4.556 0.027 0.000 0.346 236 H C -0.228 175.290 175.328 0.317 0.000 1.286 236 H CA -0.833 55.364 56.048 0.248 0.000 1.120 236 H CB 0.386 30.257 29.762 0.183 0.000 1.860 236 H HN 0.070 nan 8.280 nan 0.000 0.542 237 D N 0.281 120.849 120.400 0.281 0.000 2.116 237 D HA -0.225 4.433 4.640 0.029 0.000 0.193 237 D C 2.171 178.531 176.300 0.099 0.000 0.998 237 D CA 3.121 57.223 54.000 0.170 0.000 0.836 237 D CB -0.460 40.418 40.800 0.129 0.000 0.951 237 D HN 0.791 nan 8.370 nan 0.000 0.449 238 T N -1.606 113.002 114.554 0.090 0.000 2.788 238 T HA -0.210 4.157 4.350 0.029 0.000 0.268 238 T C 1.907 176.543 174.700 -0.106 0.000 1.044 238 T CA 0.775 62.892 62.100 0.030 0.000 1.139 238 T CB -0.715 68.221 68.868 0.115 0.000 0.867 238 T HN 0.158 nan 8.240 nan 0.000 0.454 239 F N 0.904 120.543 119.950 -0.518 0.000 2.051 239 F HA 0.065 4.607 4.527 0.025 0.000 0.296 239 F C 1.903 177.436 175.800 -0.446 0.000 1.122 239 F CA 0.834 58.453 58.000 -0.636 0.000 1.201 239 F CB -0.674 37.758 39.000 -0.945 0.000 0.978 239 F HN 0.157 nan 8.300 nan 0.000 0.472 240 W N 0.640 121.852 121.300 -0.147 0.000 2.425 240 W HA -0.112 4.570 4.660 0.035 0.000 0.277 240 W C 2.315 178.745 176.519 -0.147 0.000 1.231 240 W CA 1.021 58.269 57.345 -0.161 0.000 1.248 240 W CB -0.655 28.801 29.460 -0.006 0.000 1.117 240 W HN 0.098 nan 8.180 nan 0.000 0.568 241 D N -0.527 119.906 120.400 0.054 0.000 2.092 241 D HA -0.297 4.361 4.640 0.029 0.000 0.193 241 D C 1.882 178.181 176.300 -0.001 0.000 0.994 241 D CA 1.540 55.558 54.000 0.030 0.000 0.828 241 D CB -0.605 40.224 40.800 0.048 0.000 0.963 241 D HN 0.202 nan 8.370 nan 0.000 0.450 242 Y N 0.427 120.618 120.300 -0.183 0.000 2.097 242 Y HA -0.219 4.350 4.550 0.032 0.000 0.282 242 Y C 2.328 178.095 175.900 -0.222 0.000 1.152 242 Y CA 1.658 59.639 58.100 -0.199 0.000 1.136 242 Y CB -0.455 37.843 38.460 -0.269 0.000 0.975 242 Y HN -0.109 nan 8.280 nan 0.000 0.498 243 V N 0.152 119.948 119.914 -0.196 0.000 2.287 243 V HA -0.364 3.773 4.120 0.029 0.000 0.248 243 V C 2.630 178.666 176.094 -0.097 0.000 1.053 243 V CA 2.312 64.484 62.300 -0.213 0.000 1.027 243 V CB -1.269 30.306 31.823 -0.413 0.000 0.646 243 V HN 0.679 nan 8.190 nan 0.000 0.447 244 S N -0.271 115.417 115.700 -0.021 0.000 2.419 244 S HA -0.096 4.391 4.470 0.029 0.000 0.233 244 S C 1.691 176.257 174.600 -0.056 0.000 1.016 244 S CA 1.512 59.720 58.200 0.013 0.000 0.974 244 S CB -0.476 62.757 63.200 0.056 0.000 0.786 244 S HN 0.569 nan 8.310 nan 0.000 0.492 245 L N -0.085 121.058 121.223 -0.134 0.000 2.607 245 L HA 0.333 4.691 4.340 0.029 0.000 0.228 245 L C 0.449 177.152 176.870 -0.279 0.000 1.123 245 L CA 0.078 54.814 54.840 -0.174 0.000 0.890 245 L CB 0.065 42.021 42.059 -0.171 0.000 1.103 245 L HN 0.243 nan 8.230 nan 0.000 0.468 246 Q N 0.189 119.779 119.800 -0.350 0.000 3.090 246 Q HA 0.236 4.593 4.340 0.029 0.000 0.241 246 Q C -1.955 173.827 176.000 -0.363 0.000 0.958 246 Q CA -1.502 54.052 55.803 -0.416 0.000 0.715 246 Q CB 1.593 29.974 28.738 -0.596 0.000 1.298 246 Q HN -0.045 nan 8.270 nan 0.000 0.468 247 P HA -0.219 nan 4.420 nan 0.000 0.223 247 P C 0.988 177.961 177.300 -0.544 0.000 1.144 247 P CA 1.164 63.990 63.100 -0.457 0.000 0.783 247 P CB 0.265 31.654 31.700 -0.519 0.000 0.771 248 E N 0.455 120.228 120.200 -0.711 0.000 2.265 248 E HA -0.174 4.194 4.350 0.029 0.000 0.196 248 E C 1.514 178.076 176.600 -0.064 0.000 0.996 248 E CA 1.812 58.060 56.400 -0.252 0.000 0.832 248 E CB -1.294 28.339 29.700 -0.112 0.000 0.756 248 E HN 0.297 nan 8.360 nan 0.000 0.491 249 T N -0.334 114.184 114.554 -0.060 0.000 2.995 249 T HA -0.019 4.349 4.350 0.029 0.000 0.269 249 T C 2.001 176.770 174.700 0.116 0.000 1.091 249 T CA 0.591 62.722 62.100 0.052 0.000 1.128 249 T CB -0.407 68.522 68.868 0.101 0.000 0.891 249 T HN 0.156 nan 8.240 nan 0.000 0.492 250 L N 0.137 121.433 121.223 0.121 0.000 2.079 250 L HA -0.109 4.249 4.340 0.029 0.000 0.210 250 L C 2.856 179.900 176.870 0.291 0.000 1.081 250 L CA 1.950 56.934 54.840 0.240 0.000 0.752 250 L CB -0.902 41.311 42.059 0.257 0.000 0.896 250 L HN 0.468 nan 8.230 nan 0.000 0.433 251 H N 0.172 119.297 119.070 0.091 0.000 2.267 251 H HA -0.221 4.353 4.556 0.030 0.000 0.297 251 H C 2.200 177.529 175.328 0.002 0.000 1.080 251 H CA 1.917 58.013 56.048 0.081 0.000 1.278 251 H CB 0.159 29.929 29.762 0.013 0.000 1.365 251 H HN 0.372 nan 8.280 nan 0.000 0.489 252 N N -0.170 118.349 118.700 -0.302 0.000 2.309 252 N HA -0.132 4.626 4.740 0.029 0.000 0.182 252 N C 1.948 177.286 175.510 -0.287 0.000 1.018 252 N CA 0.735 53.388 53.050 -0.661 0.000 0.876 252 N CB 0.247 37.868 38.487 -1.442 0.000 0.972 252 N HN 0.125 nan 8.380 nan 0.000 0.434 253 V N 1.580 121.546 119.914 0.087 0.000 2.343 253 V HA -0.243 3.894 4.120 0.029 0.000 0.247 253 V C 2.471 178.718 176.094 0.255 0.000 1.051 253 V CA 1.228 63.730 62.300 0.338 0.000 1.036 253 V CB -0.337 31.736 31.823 0.418 0.000 0.654 253 V HN 0.404 nan 8.190 nan 0.000 0.451 254 M N -1.631 118.160 119.600 0.317 0.000 2.108 254 M HA -0.217 4.280 4.480 0.029 0.000 0.261 254 M C 2.081 178.419 176.300 0.063 0.000 1.066 254 M CA 1.936 57.437 55.300 0.336 0.000 1.107 254 M CB -1.197 31.646 32.600 0.405 0.000 1.356 254 M HN 0.472 nan 8.290 nan 0.000 0.406 255 W N 0.484 121.542 121.300 -0.402 0.000 2.358 255 W HA -0.074 4.606 4.660 0.033 0.000 0.303 255 W C 2.818 179.278 176.519 -0.099 0.000 1.208 255 W CA 1.782 58.864 57.345 -0.437 0.000 1.274 255 W CB -1.081 28.035 29.460 -0.572 0.000 1.138 255 W HN 0.287 nan 8.180 nan 0.000 0.515 256 A N -0.533 122.378 122.820 0.153 0.000 1.933 256 A HA -0.210 4.127 4.320 0.029 0.000 0.218 256 A C 1.951 179.593 177.584 0.095 0.000 1.175 256 A CA 1.869 53.996 52.037 0.149 0.000 0.628 256 A CB -0.631 18.492 19.000 0.205 0.000 0.814 256 A HN 0.108 nan 8.150 nan 0.000 0.444 257 M N 0.693 120.309 119.600 0.027 0.000 2.394 257 M HA 0.001 4.499 4.480 0.029 0.000 0.264 257 M C 1.509 177.852 176.300 0.072 0.000 1.073 257 M CA 0.883 56.135 55.300 -0.082 0.000 1.111 257 M CB -1.453 30.842 32.600 -0.508 0.000 1.401 257 M HN 0.559 nan 8.290 nan 0.000 0.448 258 S N 0.206 116.012 115.700 0.177 0.000 2.641 258 S HA 0.091 4.578 4.470 0.029 0.000 0.261 258 S C 0.743 175.473 174.600 0.216 0.000 1.257 258 S CA -0.492 57.848 58.200 0.233 0.000 0.983 258 S CB 0.815 64.195 63.200 0.301 0.000 0.990 258 S HN 0.193 nan 8.310 nan 0.000 0.572 259 D N 0.176 120.722 120.400 0.244 0.000 2.378 259 D HA 0.005 4.662 4.640 0.029 0.000 0.222 259 D C 1.865 178.312 176.300 0.245 0.000 0.980 259 D CA 0.374 54.539 54.000 0.274 0.000 0.907 259 D CB -0.170 40.859 40.800 0.382 0.000 0.899 259 D HN 0.368 nan 8.370 nan 0.000 0.527 260 R N 0.280 120.916 120.500 0.228 0.000 2.127 260 R HA -0.055 4.303 4.340 0.029 0.000 0.238 260 R C 2.143 178.599 176.300 0.260 0.000 1.134 260 R CA 1.023 57.280 56.100 0.262 0.000 0.975 260 R CB -0.893 29.622 30.300 0.359 0.000 0.865 260 R HN 0.210 nan 8.270 nan 0.000 0.447 261 G N 1.341 110.282 108.800 0.235 0.000 2.559 261 G HA2 -0.078 3.900 3.960 0.029 0.000 0.216 261 G HA3 -0.078 3.900 3.960 0.029 0.000 0.216 261 G C 1.044 176.085 174.900 0.236 0.000 1.126 261 G CA 0.248 45.479 45.100 0.217 0.000 0.778 261 G HN 0.427 nan 8.290 nan 0.000 0.543 262 I N -1.923 118.797 120.570 0.250 0.000 2.862 262 I HA 0.374 4.562 4.170 0.029 0.000 0.285 262 I C -2.904 173.371 176.117 0.264 0.000 1.339 262 I CA -2.691 58.764 61.300 0.259 0.000 1.002 262 I CB 1.780 39.934 38.000 0.256 0.000 1.618 262 I HN -0.273 nan 8.210 nan 0.000 0.593 263 P HA 0.068 nan 4.420 nan 0.000 0.269 263 P C 0.587 178.043 177.300 0.261 0.000 1.209 263 P CA -0.156 63.064 63.100 0.199 0.000 0.776 263 P CB 1.015 32.762 31.700 0.079 0.000 0.876 264 R N 1.977 122.604 120.500 0.212 0.000 2.115 264 R HA 0.022 4.380 4.340 0.029 0.000 0.230 264 R C 0.401 176.858 176.300 0.262 0.000 1.111 264 R CA 1.548 57.822 56.100 0.290 0.000 0.976 264 R CB -0.361 30.073 30.300 0.224 0.000 0.870 264 R HN 0.550 nan 8.270 nan 0.000 0.445 265 S N -3.020 112.620 115.700 -0.101 0.000 2.595 265 S HA 0.198 4.685 4.470 0.029 0.000 0.270 265 S C -0.324 173.961 174.600 -0.525 0.000 1.145 265 S CA -0.849 57.087 58.200 -0.441 0.000 0.825 265 S CB -0.056 63.037 63.200 -0.178 0.000 1.107 265 S HN 0.075 nan 8.310 nan 0.000 0.461 266 Y N 1.744 121.670 120.300 -0.623 0.000 2.421 266 Y HA 0.144 4.712 4.550 0.031 0.000 0.292 266 Y C 2.399 177.951 175.900 -0.580 0.000 1.136 266 Y CA 0.940 58.556 58.100 -0.807 0.000 1.255 266 Y CB -0.354 37.246 38.460 -1.433 0.000 0.991 266 Y HN 0.551 nan 8.280 nan 0.000 0.552 267 R N -0.519 119.849 120.500 -0.220 0.000 2.235 267 R HA -0.027 4.331 4.340 0.029 0.000 0.213 267 R C 0.934 177.197 176.300 -0.063 0.000 1.059 267 R CA 1.489 57.514 56.100 -0.126 0.000 0.997 267 R CB -0.308 29.913 30.300 -0.133 0.000 0.884 267 R HN 0.309 nan 8.270 nan 0.000 0.462 268 T N -1.659 112.874 114.554 -0.034 0.000 3.313 268 T HA 0.375 4.743 4.350 0.029 0.000 0.263 268 T C 0.112 174.855 174.700 0.072 0.000 0.983 268 T CA -0.673 61.436 62.100 0.015 0.000 0.963 268 T CB -0.104 68.758 68.868 -0.010 0.000 1.141 268 T HN 0.071 nan 8.240 nan 0.000 0.526 269 M N -1.242 118.445 119.600 0.146 0.000 2.593 269 M HA 0.730 5.227 4.480 0.029 0.000 0.290 269 M C -1.278 175.203 176.300 0.302 0.000 1.244 269 M CA -0.865 54.560 55.300 0.207 0.000 0.857 269 M CB 2.201 34.916 32.600 0.192 0.000 1.738 269 M HN -0.136 nan 8.290 nan 0.000 0.461 270 E N 0.381 120.754 120.200 0.288 0.000 2.314 270 E HA 0.669 5.036 4.350 0.029 0.000 0.262 270 E C -0.341 176.329 176.600 0.117 0.000 1.093 270 E CA -0.588 55.917 56.400 0.175 0.000 0.908 270 E CB 1.703 31.460 29.700 0.095 0.000 1.091 270 E HN 0.857 nan 8.360 nan 0.000 0.425 271 G N 0.809 109.491 108.800 -0.197 0.000 2.591 271 G HA2 0.612 4.590 3.960 0.029 0.000 0.306 271 G HA3 0.612 4.590 3.960 0.029 0.000 0.306 271 G C -1.491 173.005 174.900 -0.674 0.000 1.334 271 G CA -0.459 44.500 45.100 -0.235 0.000 0.981 271 G HN 0.272 nan 8.290 nan 0.000 0.491 272 F N 0.003 119.879 119.950 -0.122 0.000 2.601 272 F HA 0.518 5.061 4.527 0.027 0.000 0.309 272 F C 1.124 176.829 175.800 -0.157 0.000 1.089 272 F CA -0.538 57.320 58.000 -0.237 0.000 0.940 272 F CB 2.652 41.458 39.000 -0.323 0.000 1.273 272 F HN 0.589 nan 8.300 nan 0.000 0.450 273 G N 0.826 109.684 108.800 0.097 0.000 2.623 273 G HA2 0.121 4.098 3.960 0.029 0.000 0.214 273 G HA3 0.121 4.098 3.960 0.029 0.000 0.214 273 G C 1.201 176.146 174.900 0.076 0.000 1.138 273 G CA 0.832 46.043 45.100 0.185 0.000 0.794 273 G HN 0.800 nan 8.290 nan 0.000 0.535 274 I N -1.081 119.457 120.570 -0.052 0.000 4.624 274 I HA -0.318 3.869 4.170 0.029 0.000 0.049 274 I C 0.518 176.475 176.117 -0.268 0.000 0.621 274 I CA 1.495 62.633 61.300 -0.271 0.000 0.836 274 I CB -1.209 36.521 38.000 -0.450 0.000 0.765 274 I HN 0.260 nan 8.210 nan 0.000 0.159 275 H N 2.254 121.315 119.070 -0.016 0.000 2.690 275 H HA 0.226 4.799 4.556 0.028 0.000 0.365 275 H C 0.105 175.339 175.328 -0.157 0.000 1.142 275 H CA 0.543 56.487 56.048 -0.173 0.000 1.417 275 H CB 0.314 29.797 29.762 -0.464 0.000 1.446 275 H HN 0.187 nan 8.280 nan 0.000 0.599 276 T N 3.800 118.299 114.554 -0.093 0.000 2.794 276 T HA 0.243 4.611 4.350 0.029 0.000 0.296 276 T C 0.266 174.879 174.700 -0.145 0.000 0.949 276 T CA 0.012 62.050 62.100 -0.104 0.000 1.101 276 T CB -0.119 68.638 68.868 -0.185 0.000 0.905 276 T HN 0.245 nan 8.240 nan 0.000 0.516 277 F N 1.351 121.248 119.950 -0.089 0.000 2.629 277 F HA 0.665 5.207 4.527 0.024 0.000 0.386 277 F C 1.025 176.784 175.800 -0.068 0.000 1.135 277 F CA -1.327 56.651 58.000 -0.037 0.000 1.116 277 F CB 1.331 40.293 39.000 -0.063 0.000 1.426 277 F HN 0.170 nan 8.300 nan 0.000 0.501 278 R N 0.558 121.126 120.500 0.114 0.000 2.686 278 R HA 0.624 4.981 4.340 0.029 0.000 0.286 278 R C -1.688 174.506 176.300 -0.177 0.000 0.969 278 R CA -0.866 55.174 56.100 -0.101 0.000 0.898 278 R CB 2.055 32.238 30.300 -0.194 0.000 1.183 278 R HN 0.423 nan 8.270 nan 0.000 0.456 279 L N 3.858 124.928 121.223 -0.256 0.000 2.309 279 L HA 0.535 4.892 4.340 0.029 0.000 0.282 279 L C -0.447 176.272 176.870 -0.252 0.000 1.036 279 L CA -0.886 53.806 54.840 -0.247 0.000 0.806 279 L CB 1.280 43.193 42.059 -0.244 0.000 1.220 279 L HN 0.366 nan 8.230 nan 0.000 0.429 280 I N 2.820 123.264 120.570 -0.210 0.000 2.436 280 I HA 0.295 4.482 4.170 0.029 0.000 0.289 280 I C -0.262 175.771 176.117 -0.140 0.000 1.010 280 I CA -0.696 60.486 61.300 -0.197 0.000 1.098 280 I CB 1.421 39.312 38.000 -0.181 0.000 1.266 280 I HN 0.622 nan 8.210 nan 0.000 0.434 281 N N 4.811 123.441 118.700 -0.118 0.000 2.491 281 N HA 0.411 5.168 4.740 0.029 0.000 0.279 281 N C 0.851 176.321 175.510 -0.067 0.000 1.236 281 N CA -0.348 52.651 53.050 -0.084 0.000 0.982 281 N CB 0.571 39.016 38.487 -0.071 0.000 1.194 281 N HN 0.524 nan 8.380 nan 0.000 0.582 282 A N -0.354 122.436 122.820 -0.051 0.000 1.940 282 A HA -0.221 4.116 4.320 0.029 0.000 0.219 282 A C 1.697 179.261 177.584 -0.033 0.000 1.176 282 A CA 1.864 53.878 52.037 -0.039 0.000 0.631 282 A CB -1.116 17.866 19.000 -0.029 0.000 0.814 282 A HN 0.889 nan 8.150 nan 0.000 0.446 283 E N -1.724 118.457 120.200 -0.032 0.000 2.347 283 E HA 0.279 4.647 4.350 0.029 0.000 0.196 283 E C 1.148 177.737 176.600 -0.018 0.000 1.008 283 E CA 0.589 56.975 56.400 -0.023 0.000 0.852 283 E CB -0.367 29.320 29.700 -0.021 0.000 0.783 283 E HN 0.846 nan 8.360 nan 0.000 0.505 284 G N 1.537 110.323 108.800 -0.023 0.000 2.159 284 G HA2 -0.343 3.635 3.960 0.029 0.000 0.227 284 G HA3 -0.343 3.635 3.960 0.029 0.000 0.227 284 G C 0.086 175.003 174.900 0.028 0.000 0.986 284 G CA 0.094 45.198 45.100 0.007 0.000 0.651 284 G HN 0.349 nan 8.290 nan 0.000 0.523 285 K N 0.779 121.159 120.400 -0.034 0.000 2.298 285 K HA 0.662 5.000 4.320 0.029 0.000 0.280 285 K C 0.516 176.986 176.600 -0.217 0.000 1.032 285 K CA 0.198 56.439 56.287 -0.077 0.000 0.958 285 K CB 0.645 33.100 32.500 -0.076 0.000 0.978 285 K HN 0.639 nan 8.250 nan 0.000 0.472 286 A N 3.470 126.051 122.820 -0.399 0.000 2.301 286 A HA 0.418 4.756 4.320 0.029 0.000 0.312 286 A C -0.801 176.460 177.584 -0.539 0.000 1.182 286 A CA -0.559 51.075 52.037 -0.672 0.000 0.826 286 A CB 1.149 19.312 19.000 -1.395 0.000 1.134 286 A HN 0.742 nan 8.150 nan 0.000 0.501 287 T N 2.474 116.752 114.554 -0.460 0.000 2.824 287 T HA 0.529 4.896 4.350 0.029 0.000 0.282 287 T C -0.696 173.792 174.700 -0.353 0.000 0.993 287 T CA -0.085 61.798 62.100 -0.361 0.000 0.967 287 T CB 0.402 69.149 68.868 -0.202 0.000 0.960 287 T HN 0.337 nan 8.240 nan 0.000 0.441 288 F N 2.255 122.109 119.950 -0.159 0.000 2.443 288 F HA 0.537 5.081 4.527 0.028 0.000 0.353 288 F C 0.546 176.231 175.800 -0.193 0.000 1.101 288 F CA -0.518 57.385 58.000 -0.162 0.000 1.226 288 F CB 0.731 39.658 39.000 -0.121 0.000 1.140 288 F HN 0.196 nan 8.300 nan 0.000 0.557 289 V N 4.846 124.724 119.914 -0.060 0.000 2.888 289 V HA 0.617 4.755 4.120 0.029 0.000 0.309 289 V C -1.059 174.820 176.094 -0.358 0.000 1.114 289 V CA -0.796 61.327 62.300 -0.295 0.000 0.940 289 V CB 2.218 33.656 31.823 -0.640 0.000 1.021 289 V HN 0.766 nan 8.190 nan 0.000 0.426 290 R N 4.759 125.090 120.500 -0.282 0.000 2.480 290 R HA 0.531 4.888 4.340 0.029 0.000 0.306 290 R C -1.648 174.582 176.300 -0.117 0.000 0.958 290 R CA -0.458 55.527 56.100 -0.193 0.000 0.861 290 R CB 1.955 32.256 30.300 0.002 0.000 1.171 290 R HN 0.592 nan 8.270 nan 0.000 0.445 291 F N 2.515 122.507 119.950 0.071 0.000 2.396 291 F HA 0.336 4.879 4.527 0.026 0.000 0.343 291 F C 1.036 176.771 175.800 -0.109 0.000 1.104 291 F CA 0.042 58.046 58.000 0.006 0.000 1.161 291 F CB 0.762 39.668 39.000 -0.158 0.000 1.146 291 F HN 0.215 nan 8.300 nan 0.000 0.522 292 H N 1.037 120.093 119.070 -0.024 0.000 2.768 292 H HA 0.244 4.818 4.556 0.031 0.000 0.371 292 H C -1.567 173.502 175.328 -0.431 0.000 1.151 292 H CA -0.989 54.925 56.048 -0.224 0.000 1.165 292 H CB 1.972 31.688 29.762 -0.076 0.000 1.722 292 H HN 0.674 nan 8.280 nan 0.000 0.543 293 W N 2.464 123.641 121.300 -0.206 0.000 2.475 293 W HA 0.300 4.976 4.660 0.025 0.000 0.320 293 W C -0.136 176.387 176.519 0.007 0.000 1.022 293 W CA -0.736 56.521 57.345 -0.146 0.000 1.240 293 W CB 1.661 30.827 29.460 -0.490 0.000 1.328 293 W HN 0.268 nan 8.180 nan 0.000 0.439 294 K N 6.038 126.685 120.400 0.411 0.000 2.240 294 K HA 0.372 4.709 4.320 0.029 0.000 0.271 294 K C -2.365 174.463 176.600 0.380 0.000 1.018 294 K CA -1.896 54.582 56.287 0.318 0.000 0.874 294 K CB 1.352 33.990 32.500 0.229 0.000 1.098 294 K HN 0.041 nan 8.250 nan 0.000 0.458 295 P HA 0.025 nan 4.420 nan 0.000 0.271 295 P C 0.221 177.542 177.300 0.035 0.000 1.233 295 P CA 0.025 63.213 63.100 0.145 0.000 0.764 295 P CB 0.712 32.506 31.700 0.156 0.000 0.825 296 L N 2.634 123.818 121.223 -0.065 0.000 2.492 296 L HA 0.004 4.362 4.340 0.029 0.000 0.223 296 L C 2.178 179.032 176.870 -0.027 0.000 1.132 296 L CA 0.762 55.597 54.840 -0.008 0.000 0.850 296 L CB -0.468 41.597 42.059 0.011 0.000 0.966 296 L HN 0.337 nan 8.230 nan 0.000 0.454 297 A N 0.063 122.840 122.820 -0.072 0.000 2.238 297 A HA 0.417 4.755 4.320 0.029 0.000 0.208 297 A C 1.270 178.852 177.584 -0.003 0.000 1.177 297 A CA 0.669 52.679 52.037 -0.045 0.000 0.804 297 A CB -0.339 18.617 19.000 -0.073 0.000 0.823 297 A HN 0.437 nan 8.150 nan 0.000 0.482 298 G N -0.625 108.188 108.800 0.022 0.000 2.756 298 G HA2 -0.131 3.846 3.960 0.029 0.000 0.678 298 G HA3 -0.131 3.846 3.960 0.029 0.000 0.678 298 G C -0.655 174.275 174.900 0.050 0.000 1.349 298 G CA -0.409 44.722 45.100 0.052 0.000 0.847 298 G HN 0.474 nan 8.290 nan 0.000 0.548 299 K N 0.122 120.556 120.400 0.056 0.000 2.183 299 K HA 0.726 5.063 4.320 0.029 0.000 0.274 299 K C 0.206 176.797 176.600 -0.014 0.000 1.009 299 K CA 0.191 56.493 56.287 0.025 0.000 0.888 299 K CB 1.807 34.309 32.500 0.003 0.000 1.078 299 K HN 1.468 nan 8.250 nan 0.000 0.459 300 A N 1.715 124.517 122.820 -0.030 0.000 2.540 300 A HA 0.591 4.928 4.320 0.029 0.000 0.297 300 A C -1.144 176.485 177.584 0.075 0.000 1.056 300 A CA -0.675 51.302 52.037 -0.099 0.000 0.700 300 A CB 1.709 20.465 19.000 -0.407 0.000 1.280 300 A HN 0.508 nan 8.150 nan 0.000 0.398 301 S N 0.553 116.451 115.700 0.330 0.000 2.632 301 S HA 0.760 5.248 4.470 0.029 0.000 0.289 301 S C -0.038 174.875 174.600 0.522 0.000 1.115 301 S CA -0.601 57.831 58.200 0.387 0.000 0.889 301 S CB 1.219 64.638 63.200 0.364 0.000 1.116 301 S HN 0.651 nan 8.310 nan 0.000 0.486 302 L N 1.183 122.609 121.223 0.337 0.000 2.600 302 L HA 0.587 4.944 4.340 0.029 0.000 0.221 302 L C -0.047 176.941 176.870 0.197 0.000 1.197 302 L CA -0.805 54.160 54.840 0.209 0.000 0.838 302 L CB 0.084 42.174 42.059 0.051 0.000 1.474 302 L HN 0.481 nan 8.230 nan 0.000 0.514 303 V N -3.452 116.475 119.914 0.022 0.000 2.815 303 V HA 0.189 4.327 4.120 0.029 0.000 0.314 303 V C 0.612 176.649 176.094 -0.094 0.000 1.064 303 V CA -0.858 61.424 62.300 -0.030 0.000 0.952 303 V CB 1.622 33.395 31.823 -0.083 0.000 1.020 303 V HN 0.925 nan 8.190 nan 0.000 0.439 304 W N 2.004 123.169 121.300 -0.225 0.000 2.318 304 W HA -0.242 4.435 4.660 0.028 0.000 0.313 304 W C 1.706 178.064 176.519 -0.268 0.000 1.221 304 W CA 2.646 59.850 57.345 -0.235 0.000 1.266 304 W CB -0.056 29.245 29.460 -0.266 0.000 1.150 304 W HN 1.005 nan 8.180 nan 0.000 0.496 305 D N 0.129 120.237 120.400 -0.487 0.000 2.144 305 D HA -0.273 4.384 4.640 0.029 0.000 0.199 305 D C 2.168 178.101 176.300 -0.612 0.000 0.984 305 D CA 2.005 55.683 54.000 -0.536 0.000 0.834 305 D CB -0.427 40.309 40.800 -0.106 0.000 0.955 305 D HN 0.383 nan 8.370 nan 0.000 0.465 306 E N -0.327 119.372 120.200 -0.834 0.000 2.047 306 E HA -0.185 4.182 4.350 0.029 0.000 0.191 306 E C 2.020 178.279 176.600 -0.569 0.000 0.987 306 E CA 0.990 56.866 56.400 -0.873 0.000 0.799 306 E CB -0.196 28.879 29.700 -1.041 0.000 0.752 306 E HN 0.289 nan 8.360 nan 0.000 0.449 307 A N 1.294 123.802 122.820 -0.520 0.000 1.865 307 A HA -0.278 4.060 4.320 0.029 0.000 0.217 307 A C 2.209 179.462 177.584 -0.552 0.000 1.191 307 A CA 1.911 53.688 52.037 -0.433 0.000 0.623 307 A CB -0.799 18.050 19.000 -0.251 0.000 0.826 307 A HN 0.461 nan 8.150 nan 0.000 0.444 308 Q N -0.602 118.655 119.800 -0.905 0.000 2.084 308 Q HA -0.194 4.164 4.340 0.029 0.000 0.202 308 Q C 2.194 177.919 176.000 -0.459 0.000 0.978 308 Q CA 1.861 57.163 55.803 -0.836 0.000 0.844 308 Q CB -0.148 27.817 28.738 -1.289 0.000 0.898 308 Q HN 0.662 nan 8.270 nan 0.000 0.426 309 K N -0.028 120.121 120.400 -0.419 0.000 2.148 309 K HA -0.146 4.192 4.320 0.029 0.000 0.204 309 K C 2.036 178.497 176.600 -0.231 0.000 1.050 309 K CA 0.711 56.847 56.287 -0.252 0.000 0.942 309 K CB -0.031 32.365 32.500 -0.173 0.000 0.724 309 K HN 0.185 nan 8.250 nan 0.000 0.446 310 L N 1.382 122.425 121.223 -0.300 0.000 2.201 310 L HA -0.131 4.226 4.340 0.029 0.000 0.212 310 L C 2.213 178.948 176.870 -0.226 0.000 1.105 310 L CA 2.092 56.751 54.840 -0.300 0.000 0.775 310 L CB -0.881 40.911 42.059 -0.445 0.000 0.913 310 L HN 0.330 nan 8.230 nan 0.000 0.440 311 T N -4.437 109.987 114.554 -0.217 0.000 2.881 311 T HA -0.074 4.293 4.350 0.029 0.000 0.270 311 T C 1.856 176.493 174.700 -0.106 0.000 1.068 311 T CA 1.010 63.024 62.100 -0.143 0.000 1.131 311 T CB -0.939 67.856 68.868 -0.123 0.000 0.871 311 T HN 0.368 nan 8.240 nan 0.000 0.479 312 G N 1.029 109.761 108.800 -0.113 0.000 2.441 312 G HA2 0.005 3.982 3.960 0.029 0.000 0.212 312 G HA3 0.005 3.982 3.960 0.029 0.000 0.212 312 G C 1.905 176.763 174.900 -0.069 0.000 1.164 312 G CA -0.270 44.782 45.100 -0.081 0.000 0.811 312 G HN 0.303 nan 8.290 nan 0.000 0.535 313 R N 0.233 120.683 120.500 -0.084 0.000 2.115 313 R HA 0.053 4.410 4.340 0.029 0.000 0.226 313 R C -0.172 176.104 176.300 -0.041 0.000 1.100 313 R CA 0.765 56.828 56.100 -0.061 0.000 0.980 313 R CB -0.170 30.087 30.300 -0.071 0.000 0.875 313 R HN 0.332 nan 8.270 nan 0.000 0.445 314 D N -0.630 119.741 120.400 -0.049 0.000 2.445 314 D HA 0.142 4.800 4.640 0.029 0.000 0.236 314 D C -2.133 174.167 176.300 0.000 0.000 1.315 314 D CA -1.694 52.307 54.000 0.002 0.000 0.924 314 D CB 1.295 42.141 40.800 0.077 0.000 1.447 314 D HN -0.163 nan 8.370 nan 0.000 0.532 315 P HA -0.023 nan 4.420 nan 0.000 0.225 315 P C 0.126 177.430 177.300 0.006 0.000 1.148 315 P CA 0.771 63.859 63.100 -0.020 0.000 0.779 315 P CB 0.454 32.140 31.700 -0.024 0.000 0.780 316 D N -1.578 118.837 120.400 0.025 0.000 2.427 316 D HA 0.072 4.730 4.640 0.029 0.000 0.224 316 D C 1.207 177.544 176.300 0.060 0.000 1.157 316 D CA -0.415 53.605 54.000 0.033 0.000 0.828 316 D CB -0.564 40.234 40.800 -0.003 0.000 0.974 316 D HN 0.128 nan 8.370 nan 0.000 0.498 317 F N 1.251 121.145 119.950 -0.093 0.000 2.095 317 F HA -0.228 4.316 4.527 0.028 0.000 0.298 317 F C 2.093 177.872 175.800 -0.035 0.000 1.104 317 F CA 1.853 59.796 58.000 -0.095 0.000 1.232 317 F CB 0.046 38.941 39.000 -0.175 0.000 0.987 317 F HN 0.101 nan 8.300 nan 0.000 0.475 318 H N -1.045 117.931 119.070 -0.158 0.000 2.357 318 H HA -0.102 4.471 4.556 0.028 0.000 0.301 318 H C 2.389 177.585 175.328 -0.220 0.000 1.082 318 H CA 0.953 56.754 56.048 -0.412 0.000 1.342 318 H CB -0.123 29.248 29.762 -0.652 0.000 1.389 318 H HN 0.186 nan 8.280 nan 0.000 0.511 319 R N 1.302 121.881 120.500 0.130 0.000 2.081 319 R HA -0.141 4.216 4.340 0.029 0.000 0.235 319 R C 2.442 178.840 176.300 0.163 0.000 1.131 319 R CA 1.402 57.637 56.100 0.226 0.000 0.960 319 R CB -0.052 30.375 30.300 0.210 0.000 0.856 319 R HN 0.199 nan 8.270 nan 0.000 0.436 320 R N 0.398 120.918 120.500 0.034 0.000 2.073 320 R HA -0.198 4.160 4.340 0.029 0.000 0.234 320 R C 2.186 178.483 176.300 -0.004 0.000 1.134 320 R CA 2.033 58.138 56.100 0.009 0.000 0.952 320 R CB -0.216 30.054 30.300 -0.050 0.000 0.850 320 R HN 0.298 nan 8.270 nan 0.000 0.433 321 E N 0.658 120.744 120.200 -0.190 0.000 2.058 321 E HA -0.228 4.139 4.350 0.029 0.000 0.194 321 E C 1.914 178.483 176.600 -0.052 0.000 0.997 321 E CA 1.471 57.732 56.400 -0.232 0.000 0.801 321 E CB -0.445 28.951 29.700 -0.508 0.000 0.746 321 E HN 0.328 nan 8.360 nan 0.000 0.450 322 L N 0.184 121.416 121.223 0.014 0.000 1.994 322 L HA -0.109 4.249 4.340 0.029 0.000 0.208 322 L C 2.267 179.241 176.870 0.173 0.000 1.071 322 L CA 2.177 57.079 54.840 0.103 0.000 0.745 322 L CB -0.918 41.267 42.059 0.210 0.000 0.892 322 L HN 0.444 nan 8.230 nan 0.000 0.431 323 W N 0.833 122.167 121.300 0.057 0.000 2.355 323 W HA -0.213 4.463 4.660 0.027 0.000 0.309 323 W C 2.222 178.773 176.519 0.054 0.000 1.206 323 W CA 2.161 59.552 57.345 0.076 0.000 1.284 323 W CB -0.130 29.378 29.460 0.081 0.000 1.145 323 W HN 0.352 nan 8.180 nan 0.000 0.502 324 E N -0.088 120.296 120.200 0.307 0.000 2.152 324 E HA -0.119 4.248 4.350 0.029 0.000 0.192 324 E C 2.363 179.000 176.600 0.063 0.000 0.983 324 E CA 1.001 57.502 56.400 0.169 0.000 0.818 324 E CB -0.314 29.440 29.700 0.089 0.000 0.758 324 E HN 0.179 nan 8.360 nan 0.000 0.467 325 A N 1.287 124.141 122.820 0.056 0.000 1.877 325 A HA -0.183 4.155 4.320 0.029 0.000 0.216 325 A C 2.156 179.776 177.584 0.061 0.000 1.186 325 A CA 1.098 53.162 52.037 0.045 0.000 0.620 325 A CB -0.549 18.474 19.000 0.039 0.000 0.822 325 A HN 0.136 nan 8.150 nan 0.000 0.443 326 I N -0.480 120.142 120.570 0.087 0.000 2.252 326 I HA -0.234 3.953 4.170 0.029 0.000 0.245 326 I C 2.432 178.630 176.117 0.135 0.000 1.102 326 I CA 1.441 62.843 61.300 0.169 0.000 1.385 326 I CB -0.420 37.598 38.000 0.029 0.000 1.064 326 I HN 0.421 nan 8.210 nan 0.000 0.414 327 E N 0.764 120.985 120.200 0.035 0.000 2.204 327 E HA -0.173 4.194 4.350 0.029 0.000 0.195 327 E C 2.092 178.716 176.600 0.040 0.000 0.990 327 E CA 1.148 57.579 56.400 0.053 0.000 0.821 327 E CB -0.062 29.699 29.700 0.101 0.000 0.750 327 E HN 0.505 nan 8.360 nan 0.000 0.477 328 A N 0.068 122.889 122.820 0.002 0.000 2.178 328 A HA 0.245 4.582 4.320 0.029 0.000 0.211 328 A C 1.712 179.242 177.584 -0.090 0.000 1.157 328 A CA 0.857 52.872 52.037 -0.036 0.000 0.780 328 A CB 0.013 18.971 19.000 -0.069 0.000 0.828 328 A HN 0.311 nan 8.150 nan 0.000 0.476 329 G N -0.357 108.322 108.800 -0.202 0.000 2.141 329 G HA2 -0.183 3.795 3.960 0.029 0.000 0.242 329 G HA3 -0.183 3.795 3.960 0.029 0.000 0.242 329 G C -0.260 174.190 174.900 -0.751 0.000 0.982 329 G CA 0.223 44.910 45.100 -0.689 0.000 0.662 329 G HN 0.420 nan 8.290 nan 0.000 0.527 330 D N 0.863 121.065 120.400 -0.330 0.000 3.057 330 D HA 0.264 4.921 4.640 0.029 0.000 0.246 330 D C 0.906 177.163 176.300 -0.073 0.000 1.238 330 D CA -0.254 53.644 54.000 -0.171 0.000 0.949 330 D CB -0.635 40.161 40.800 -0.006 0.000 1.086 330 D HN 0.466 nan 8.370 nan 0.000 0.487 331 F N 1.353 121.304 119.950 0.002 0.000 2.623 331 F HA 0.051 4.595 4.527 0.029 0.000 0.383 331 F C -1.388 174.378 175.800 -0.056 0.000 1.077 331 F CA -1.796 56.195 58.000 -0.016 0.000 1.268 331 F CB -0.129 38.872 39.000 0.002 0.000 1.053 331 F HN -0.101 nan 8.300 nan 0.000 0.571 332 P HA 0.034 nan 4.420 nan 0.000 0.265 332 P C -1.057 176.175 177.300 -0.113 0.000 1.222 332 P CA 0.326 63.402 63.100 -0.039 0.000 0.767 332 P CB 0.407 32.163 31.700 0.093 0.000 0.801 333 E N 2.953 122.953 120.200 -0.334 0.000 2.210 333 E HA 0.402 4.770 4.350 0.029 0.000 0.266 333 E C -0.939 175.383 176.600 -0.463 0.000 0.883 333 E CA -0.582 55.679 56.400 -0.232 0.000 0.761 333 E CB 1.442 31.109 29.700 -0.056 0.000 1.156 333 E HN 0.386 nan 8.360 nan 0.000 0.412 334 Y N 0.366 120.744 120.300 0.130 0.000 2.499 334 Y HA 0.285 4.854 4.550 0.032 0.000 0.347 334 Y C -0.070 176.065 175.900 0.392 0.000 0.987 334 Y CA -1.018 57.236 58.100 0.256 0.000 1.044 334 Y CB 1.998 40.598 38.460 0.233 0.000 1.245 334 Y HN 0.461 nan 8.280 nan 0.000 0.461 335 E N 2.360 122.892 120.200 0.554 0.000 2.133 335 E HA 0.384 4.751 4.350 0.029 0.000 0.274 335 E C -1.571 175.263 176.600 0.390 0.000 0.930 335 E CA -0.993 55.659 56.400 0.419 0.000 0.770 335 E CB 1.075 30.957 29.700 0.303 0.000 1.104 335 E HN 0.579 nan 8.360 nan 0.000 0.403 336 L N 4.325 125.687 121.223 0.232 0.000 2.410 336 L HA 0.481 4.839 4.340 0.029 0.000 0.273 336 L C -0.085 176.670 176.870 -0.192 0.000 1.152 336 L CA 0.607 55.289 54.840 -0.264 0.000 0.855 336 L CB 0.982 42.831 42.059 -0.351 0.000 1.129 336 L HN 0.575 nan 8.230 nan 0.000 0.463 337 G N 4.729 113.448 108.800 -0.136 0.000 2.571 337 G HA2 0.559 4.536 3.960 0.029 0.000 0.304 337 G HA3 0.559 4.536 3.960 0.029 0.000 0.304 337 G C -1.520 173.497 174.900 0.195 0.000 1.314 337 G CA -0.504 44.568 45.100 -0.047 0.000 0.975 337 G HN 0.473 nan 8.290 nan 0.000 0.485 338 F N 0.304 120.255 119.950 0.002 0.000 2.482 338 F HA 0.385 4.929 4.527 0.030 0.000 0.331 338 F C 0.413 176.198 175.800 -0.024 0.000 1.115 338 F CA -0.969 57.037 58.000 0.010 0.000 0.955 338 F CB 2.555 41.550 39.000 -0.009 0.000 1.136 338 F HN 0.130 nan 8.300 nan 0.000 0.452 339 Q N 4.478 124.385 119.800 0.178 0.000 2.331 339 Q HA 0.453 4.810 4.340 0.029 0.000 0.257 339 Q C -1.044 174.993 176.000 0.062 0.000 0.957 339 Q CA -0.452 55.404 55.803 0.089 0.000 0.923 339 Q CB 1.928 30.723 28.738 0.094 0.000 1.212 339 Q HN 0.542 nan 8.270 nan 0.000 0.443 340 L N 4.411 125.680 121.223 0.077 0.000 2.296 340 L HA 0.543 4.900 4.340 0.029 0.000 0.286 340 L C -0.734 176.186 176.870 0.084 0.000 1.023 340 L CA -0.745 54.129 54.840 0.057 0.000 0.812 340 L CB 0.978 43.078 42.059 0.069 0.000 1.223 340 L HN 0.495 nan 8.230 nan 0.000 0.421 341 I N 4.831 125.465 120.570 0.107 0.000 2.447 341 I HA 0.404 4.591 4.170 0.029 0.000 0.287 341 I C -2.265 173.949 176.117 0.162 0.000 1.023 341 I CA -1.928 59.480 61.300 0.179 0.000 1.083 341 I CB 1.784 39.933 38.000 0.248 0.000 1.245 341 I HN 0.307 nan 8.210 nan 0.000 0.434 342 P HA 0.013 nan 4.420 nan 0.000 0.267 342 P C 0.726 178.057 177.300 0.052 0.000 1.200 342 P CA -0.054 63.062 63.100 0.027 0.000 0.772 342 P CB 0.788 32.505 31.700 0.028 0.000 0.855 343 E N 1.555 121.682 120.200 -0.122 0.000 2.118 343 E HA -0.266 4.101 4.350 0.029 0.000 0.195 343 E C 0.837 177.492 176.600 0.091 0.000 0.992 343 E CA 1.435 57.746 56.400 -0.148 0.000 0.804 343 E CB 0.006 29.559 29.700 -0.244 0.000 0.741 343 E HN 0.428 nan 8.360 nan 0.000 0.458 344 E N 0.513 120.750 120.200 0.062 0.000 2.418 344 E HA -0.106 4.262 4.350 0.029 0.000 0.197 344 E C 0.703 177.355 176.600 0.087 0.000 1.026 344 E CA 0.866 57.316 56.400 0.083 0.000 0.862 344 E CB 0.092 29.822 29.700 0.051 0.000 0.799 344 E HN 0.241 nan 8.360 nan 0.000 0.518 345 D N 0.192 120.648 120.400 0.092 0.000 2.328 345 D HA -0.021 4.636 4.640 0.029 0.000 0.221 345 D C 1.282 177.606 176.300 0.041 0.000 1.072 345 D CA 0.095 54.124 54.000 0.049 0.000 0.850 345 D CB 0.043 40.887 40.800 0.073 0.000 0.922 345 D HN 0.288 nan 8.370 nan 0.000 0.516 346 E N -0.138 120.066 120.200 0.008 0.000 2.086 346 E HA -0.209 4.159 4.350 0.029 0.000 0.200 346 E C 0.331 176.607 176.600 -0.541 0.000 1.012 346 E CA 1.161 57.362 56.400 -0.332 0.000 0.812 346 E CB -0.003 29.333 29.700 -0.607 0.000 0.743 346 E HN 0.261 nan 8.360 nan 0.000 0.453 347 F N -0.410 119.547 119.950 0.012 0.000 2.750 347 F HA 0.298 4.843 4.527 0.029 0.000 0.297 347 F C 1.072 176.802 175.800 -0.117 0.000 1.138 347 F CA -0.267 57.712 58.000 -0.035 0.000 1.346 347 F CB 0.627 39.615 39.000 -0.019 0.000 0.965 347 F HN -0.179 nan 8.300 nan 0.000 0.514 348 K N -0.113 120.197 120.400 -0.150 0.000 2.374 348 K HA 0.181 4.518 4.320 0.029 0.000 0.196 348 K C -0.236 175.961 176.600 -0.671 0.000 1.023 348 K CA 0.143 56.191 56.287 -0.399 0.000 1.103 348 K CB 0.316 32.511 32.500 -0.508 0.000 0.848 348 K HN 0.140 nan 8.250 nan 0.000 0.528 349 F N 0.462 120.252 119.950 -0.267 0.000 2.509 349 F HA 0.112 4.657 4.527 0.030 0.000 0.334 349 F C 1.084 176.678 175.800 -0.344 0.000 1.060 349 F CA -1.172 56.561 58.000 -0.444 0.000 0.997 349 F CB 0.824 39.171 39.000 -1.088 0.000 1.271 349 F HN -0.012 nan 8.300 nan 0.000 0.488 350 D N -0.597 119.786 120.400 -0.028 0.000 2.328 350 D HA 0.067 4.724 4.640 0.029 0.000 0.221 350 D C -0.424 175.951 176.300 0.126 0.000 1.072 350 D CA 0.110 54.148 54.000 0.064 0.000 0.850 350 D CB -0.797 40.074 40.800 0.118 0.000 0.922 350 D HN 0.229 nan 8.370 nan 0.000 0.516 351 F N -1.439 118.590 119.950 0.133 0.000 2.598 351 F HA 0.555 5.099 4.527 0.028 0.000 0.327 351 F C -0.157 175.636 175.800 -0.010 0.000 1.057 351 F CA -1.769 56.233 58.000 0.004 0.000 0.957 351 F CB 0.958 39.912 39.000 -0.076 0.000 1.278 351 F HN -0.343 nan 8.300 nan 0.000 0.484 352 D N 1.727 122.156 120.400 0.048 0.000 2.264 352 D HA 0.203 4.861 4.640 0.029 0.000 0.250 352 D C 1.004 177.263 176.300 -0.069 0.000 1.113 352 D CA -0.103 53.871 54.000 -0.043 0.000 0.871 352 D CB 1.506 42.292 40.800 -0.024 0.000 1.167 352 D HN 0.741 nan 8.370 nan 0.000 0.447 353 L N 3.407 124.530 121.223 -0.165 0.000 2.191 353 L HA -0.135 4.222 4.340 0.029 0.000 0.212 353 L C 1.994 178.732 176.870 -0.220 0.000 1.103 353 L CA 0.712 55.427 54.840 -0.209 0.000 0.769 353 L CB -0.093 41.704 42.059 -0.436 0.000 0.908 353 L HN 0.461 nan 8.230 nan 0.000 0.438 354 L N -1.013 120.101 121.223 -0.182 0.000 2.591 354 L HA 0.041 4.398 4.340 0.029 0.000 0.228 354 L C 0.506 177.300 176.870 -0.126 0.000 1.133 354 L CA -0.088 54.708 54.840 -0.074 0.000 0.880 354 L CB -0.283 41.847 42.059 0.119 0.000 1.033 354 L HN 0.105 nan 8.230 nan 0.000 0.450 355 D N 1.862 121.936 120.400 -0.544 0.000 2.339 355 D HA 0.105 4.762 4.640 0.029 0.000 0.241 355 D C -1.584 174.483 176.300 -0.389 0.000 1.183 355 D CA -2.220 51.211 54.000 -0.950 0.000 0.859 355 D CB 1.552 41.574 40.800 -1.298 0.000 1.067 355 D HN -0.058 nan 8.370 nan 0.000 0.484 356 P HA -0.029 nan 4.420 nan 0.000 0.242 356 P C 0.796 177.997 177.300 -0.166 0.000 1.197 356 P CA 0.575 63.600 63.100 -0.125 0.000 0.765 356 P CB -0.028 31.685 31.700 0.022 0.000 0.936 357 T N -4.499 109.947 114.554 -0.180 0.000 3.086 357 T HA 0.181 4.548 4.350 0.029 0.000 0.250 357 T C 0.668 175.274 174.700 -0.156 0.000 1.074 357 T CA -0.162 61.848 62.100 -0.150 0.000 0.988 357 T CB -0.141 68.686 68.868 -0.069 0.000 0.988 357 T HN -0.152 nan 8.240 nan 0.000 0.530 358 K N 2.130 122.346 120.400 -0.306 0.000 2.292 358 K HA 0.575 4.912 4.320 0.029 0.000 0.257 358 K C -0.443 175.965 176.600 -0.319 0.000 0.940 358 K CA -0.857 55.124 56.287 -0.509 0.000 0.811 358 K CB 2.313 34.375 32.500 -0.731 0.000 1.120 358 K HN 0.291 nan 8.250 nan 0.000 0.428 359 L N -0.286 120.896 121.223 -0.069 0.000 2.387 359 L HA 0.656 5.013 4.340 0.029 0.000 0.266 359 L C -0.058 176.614 176.870 -0.330 0.000 1.059 359 L CA -0.432 54.310 54.840 -0.164 0.000 0.801 359 L CB 0.370 42.406 42.059 -0.038 0.000 1.223 359 L HN 0.459 nan 8.230 nan 0.000 0.456 360 I N 1.683 122.149 120.570 -0.173 0.000 2.330 360 I HA 0.364 4.551 4.170 0.029 0.000 0.286 360 I C -2.125 173.997 176.117 0.008 0.000 1.025 360 I CA -1.738 59.508 61.300 -0.091 0.000 1.197 360 I CB 1.078 39.053 38.000 -0.042 0.000 1.358 360 I HN 0.457 nan 8.210 nan 0.000 0.467 361 P HA 0.006 nan 4.420 nan 0.000 0.262 361 P C 0.329 177.687 177.300 0.096 0.000 1.182 361 P CA 0.169 63.305 63.100 0.061 0.000 0.761 361 P CB 0.584 32.313 31.700 0.048 0.000 0.795 362 E N 1.693 121.959 120.200 0.109 0.000 2.268 362 E HA -0.186 4.181 4.350 0.029 0.000 0.195 362 E C 1.398 178.046 176.600 0.081 0.000 0.995 362 E CA 0.685 57.138 56.400 0.088 0.000 0.836 362 E CB -0.014 29.738 29.700 0.086 0.000 0.763 362 E HN 0.490 nan 8.360 nan 0.000 0.491 363 E N 0.484 120.735 120.200 0.084 0.000 2.153 363 E HA -0.135 4.232 4.350 0.029 0.000 0.194 363 E C 2.023 178.683 176.600 0.100 0.000 0.988 363 E CA 0.772 57.219 56.400 0.079 0.000 0.811 363 E CB 0.054 29.797 29.700 0.070 0.000 0.746 363 E HN 0.354 nan 8.360 nan 0.000 0.466 364 L N -0.509 120.795 121.223 0.134 0.000 2.145 364 L HA 0.041 4.399 4.340 0.029 0.000 0.201 364 L C 0.575 177.563 176.870 0.197 0.000 1.075 364 L CA 0.457 55.414 54.840 0.197 0.000 0.773 364 L CB 0.386 42.626 42.059 0.303 0.000 0.936 364 L HN -0.201 nan 8.230 nan 0.000 0.451 365 V N 1.449 121.454 119.914 0.151 0.000 2.419 365 V HA 0.309 4.447 4.120 0.029 0.000 0.287 365 V C -2.368 173.769 176.094 0.072 0.000 1.017 365 V CA -1.491 60.883 62.300 0.123 0.000 0.844 365 V CB 1.468 33.356 31.823 0.109 0.000 1.011 365 V HN -0.020 nan 8.190 nan 0.000 0.429 366 P HA 0.169 nan 4.420 nan 0.000 0.272 366 P C -0.294 177.002 177.300 -0.006 0.000 1.223 366 P CA -0.002 63.115 63.100 0.029 0.000 0.784 366 P CB 1.313 33.035 31.700 0.037 0.000 0.923 367 V N 3.583 123.460 119.914 -0.062 0.000 2.427 367 V HA 0.068 4.205 4.120 0.029 0.000 0.268 367 V C 0.977 177.055 176.094 -0.027 0.000 1.046 367 V CA 0.062 62.293 62.300 -0.115 0.000 0.970 367 V CB 0.100 31.768 31.823 -0.257 0.000 1.001 367 V HN 0.561 nan 8.190 nan 0.000 0.476 368 Q N 5.866 125.672 119.800 0.009 0.000 2.295 368 Q HA 0.260 4.617 4.340 0.029 0.000 0.259 368 Q C -0.057 175.926 176.000 -0.029 0.000 0.976 368 Q CA -0.579 55.231 55.803 0.012 0.000 0.923 368 Q CB 0.558 29.316 28.738 0.033 0.000 1.185 368 Q HN 0.637 nan 8.270 nan 0.000 0.410 369 R N 3.091 123.605 120.500 0.023 0.000 2.370 369 R HA 0.059 4.416 4.340 0.029 0.000 0.309 369 R C 0.240 176.552 176.300 0.021 0.000 1.059 369 R CA -0.234 55.911 56.100 0.075 0.000 0.981 369 R CB 0.695 31.138 30.300 0.238 0.000 0.972 369 R HN 0.512 nan 8.270 nan 0.000 0.437 370 V N 1.723 121.507 119.914 -0.217 0.000 3.455 370 V HA 0.260 4.397 4.120 0.029 0.000 0.250 370 V C 0.857 176.641 176.094 -0.518 0.000 1.230 370 V CA 1.134 63.209 62.300 -0.373 0.000 1.105 370 V CB 0.945 32.300 31.823 -0.780 0.000 0.850 370 V HN 1.044 nan 8.190 nan 0.000 0.461 371 G N -0.177 108.143 108.800 -0.801 0.000 2.342 371 G HA2 0.463 4.441 3.960 0.029 0.000 0.297 371 G HA3 0.463 4.441 3.960 0.029 0.000 0.297 371 G C -1.766 172.781 174.900 -0.588 0.000 1.313 371 G CA -0.513 43.922 45.100 -1.108 0.000 0.830 371 G HN 0.080 nan 8.290 nan 0.000 0.506 372 K N -0.703 119.473 120.400 -0.374 0.000 2.422 372 K HA 0.745 5.083 4.320 0.029 0.000 0.251 372 K C -1.018 175.695 176.600 0.188 0.000 0.933 372 K CA -0.850 55.493 56.287 0.094 0.000 0.798 372 K CB 2.192 34.792 32.500 0.166 0.000 1.238 372 K HN 0.648 nan 8.250 nan 0.000 0.428 373 M N 4.646 124.458 119.600 0.352 0.000 2.311 373 M HA 0.405 4.902 4.480 0.029 0.000 0.325 373 M C -1.781 174.506 176.300 -0.021 0.000 1.061 373 M CA -0.769 54.651 55.300 0.200 0.000 0.957 373 M CB 1.784 34.513 32.600 0.214 0.000 1.646 373 M HN 0.390 nan 8.290 nan 0.000 0.434 374 V N 5.770 125.494 119.914 -0.316 0.000 2.487 374 V HA 0.437 4.574 4.120 0.029 0.000 0.298 374 V C -0.915 175.027 176.094 -0.253 0.000 1.028 374 V CA -0.833 61.288 62.300 -0.298 0.000 0.860 374 V CB 1.720 33.233 31.823 -0.515 0.000 0.991 374 V HN 0.665 nan 8.190 nan 0.000 0.427 375 L N 5.972 127.136 121.223 -0.098 0.000 2.255 375 L HA 0.476 4.834 4.340 0.029 0.000 0.289 375 L C 0.707 177.457 176.870 -0.199 0.000 1.046 375 L CA 0.124 54.905 54.840 -0.098 0.000 0.816 375 L CB 0.907 42.963 42.059 -0.005 0.000 1.197 375 L HN 0.866 nan 8.230 nan 0.000 0.427 376 N N 2.204 120.697 118.700 -0.344 0.000 2.194 376 N HA 0.156 4.914 4.740 0.029 0.000 0.231 376 N C 0.030 175.328 175.510 -0.354 0.000 1.247 376 N CA -0.267 52.312 53.050 -0.785 0.000 0.884 376 N CB 0.750 38.467 38.487 -1.283 0.000 1.146 376 N HN 0.407 nan 8.380 nan 0.000 0.516 377 R N 0.237 120.647 120.500 -0.150 0.000 2.536 377 R HA 0.294 4.651 4.340 0.029 0.000 0.269 377 R C -1.294 174.953 176.300 -0.089 0.000 1.113 377 R CA -0.539 55.499 56.100 -0.104 0.000 0.948 377 R CB 1.274 31.526 30.300 -0.080 0.000 1.237 377 R HN 0.067 nan 8.270 nan 0.000 0.441 378 N N 3.058 121.585 118.700 -0.288 0.000 2.445 378 N HA 0.320 5.077 4.740 0.029 0.000 0.264 378 N C -2.302 173.151 175.510 -0.094 0.000 1.227 378 N CA -1.273 51.480 53.050 -0.496 0.000 0.963 378 N CB 0.567 38.070 38.487 -1.640 0.000 1.188 378 N HN 0.309 nan 8.380 nan 0.000 0.491 379 P HA 0.123 nan 4.420 nan 0.000 0.273 379 P C 0.133 177.613 177.300 0.300 0.000 1.250 379 P CA -0.084 63.209 63.100 0.321 0.000 0.793 379 P CB 1.003 32.933 31.700 0.383 0.000 1.011 380 D N -1.092 119.457 120.400 0.249 0.000 2.269 380 D HA -0.017 4.640 4.640 0.029 0.000 0.220 380 D C 0.401 176.870 176.300 0.282 0.000 0.962 380 D CA 1.326 55.467 54.000 0.235 0.000 0.884 380 D CB 0.149 41.029 40.800 0.135 0.000 1.023 380 D HN 0.372 nan 8.370 nan 0.000 0.484 381 N N -0.052 118.804 118.700 0.260 0.000 2.448 381 N HA 0.016 4.773 4.740 0.029 0.000 0.279 381 N C 0.131 175.843 175.510 0.336 0.000 1.025 381 N CA -0.326 52.894 53.050 0.282 0.000 0.898 381 N CB 1.533 40.154 38.487 0.223 0.000 1.303 381 N HN -0.147 nan 8.380 nan 0.000 0.495 382 F N 4.493 124.594 119.950 0.251 0.000 2.065 382 F HA -0.211 4.333 4.527 0.028 0.000 0.298 382 F C 1.714 177.646 175.800 0.220 0.000 1.112 382 F CA 1.628 59.778 58.000 0.250 0.000 1.212 382 F CB -0.164 38.959 39.000 0.204 0.000 0.975 382 F HN 0.605 nan 8.300 nan 0.000 0.476 383 F N 0.906 121.107 119.950 0.419 0.000 2.069 383 F HA -0.196 4.350 4.527 0.031 0.000 0.298 383 F C 2.339 178.202 175.800 0.104 0.000 1.113 383 F CA 1.976 60.134 58.000 0.263 0.000 1.214 383 F CB -0.990 38.133 39.000 0.205 0.000 0.978 383 F HN 0.009 nan 8.300 nan 0.000 0.474 384 A N -0.439 122.525 122.820 0.240 0.000 1.933 384 A HA -0.177 4.160 4.320 0.029 0.000 0.218 384 A C 2.064 179.581 177.584 -0.111 0.000 1.175 384 A CA 2.081 54.156 52.037 0.063 0.000 0.628 384 A CB -0.674 18.421 19.000 0.159 0.000 0.814 384 A HN 0.626 nan 8.150 nan 0.000 0.444 385 E N -1.490 118.657 120.200 -0.089 0.000 2.175 385 E HA -0.053 4.314 4.350 0.029 0.000 0.195 385 E C 1.968 178.475 176.600 -0.155 0.000 0.934 385 E CA 0.403 56.688 56.400 -0.192 0.000 0.870 385 E CB -0.129 29.505 29.700 -0.109 0.000 0.838 385 E HN 0.560 nan 8.360 nan 0.000 0.474 386 N N 1.361 119.965 118.700 -0.160 0.000 2.182 386 N HA -0.162 4.596 4.740 0.029 0.000 0.186 386 N C 1.832 177.173 175.510 -0.282 0.000 1.036 386 N CA 1.340 54.244 53.050 -0.244 0.000 0.850 386 N CB 0.052 38.002 38.487 -0.895 0.000 1.010 386 N HN -0.075 nan 8.380 nan 0.000 0.432 387 E N 0.924 120.895 120.200 -0.383 0.000 2.097 387 E HA -0.136 4.231 4.350 0.029 0.000 0.196 387 E C 1.730 178.147 176.600 -0.305 0.000 1.000 387 E CA 1.585 57.831 56.400 -0.257 0.000 0.804 387 E CB -0.216 29.339 29.700 -0.241 0.000 0.740 387 E HN 0.505 nan 8.360 nan 0.000 0.454 388 Q N -0.379 119.165 119.800 -0.426 0.000 2.451 388 Q HA 0.217 4.574 4.340 0.029 0.000 0.206 388 Q C 0.060 175.937 176.000 -0.204 0.000 0.947 388 Q CA 0.247 55.853 55.803 -0.329 0.000 0.937 388 Q CB 0.356 28.877 28.738 -0.363 0.000 1.025 388 Q HN 0.218 nan 8.270 nan 0.000 0.511 389 A N 1.146 123.862 122.820 -0.173 0.000 2.462 389 A HA 0.461 4.799 4.320 0.029 0.000 0.243 389 A C -0.160 177.298 177.584 -0.210 0.000 1.076 389 A CA 0.179 52.090 52.037 -0.210 0.000 0.773 389 A CB 0.279 19.214 19.000 -0.108 0.000 1.010 389 A HN 0.264 nan 8.150 nan 0.000 0.493 390 A N 2.199 124.838 122.820 -0.302 0.000 2.332 390 A HA 0.698 5.035 4.320 0.029 0.000 0.300 390 A C -0.853 176.590 177.584 -0.236 0.000 1.153 390 A CA -0.406 51.523 52.037 -0.180 0.000 0.764 390 A CB 0.326 19.252 19.000 -0.123 0.000 1.174 390 A HN 0.637 nan 8.150 nan 0.000 0.467 391 F N 1.041 120.992 119.950 0.002 0.000 2.450 391 F HA 0.650 5.190 4.527 0.020 0.000 0.332 391 F C 0.307 176.052 175.800 -0.092 0.000 1.093 391 F CA -0.132 57.837 58.000 -0.051 0.000 1.003 391 F CB 2.022 40.941 39.000 -0.135 0.000 1.151 391 F HN 0.745 nan 8.300 nan 0.000 0.474 392 H N 3.492 122.388 119.070 -0.290 0.000 3.042 392 H HA 0.296 4.861 4.556 0.014 0.000 0.345 392 H C -2.418 172.533 175.328 -0.629 0.000 1.052 392 H CA -1.886 53.741 56.048 -0.701 0.000 1.311 392 H CB 2.695 31.924 29.762 -0.887 0.000 1.810 392 H HN 0.182 nan 8.280 nan 0.000 0.505 393 P HA -0.047 nan 4.420 nan 0.000 0.222 393 P C 1.197 178.344 177.300 -0.254 0.000 1.147 393 P CA 1.489 64.258 63.100 -0.550 0.000 0.790 393 P CB 0.114 31.542 31.700 -0.453 0.000 0.780 394 G N -1.209 107.195 108.800 -0.659 0.000 2.598 394 G HA2 -0.148 3.830 3.960 0.029 0.000 0.215 394 G HA3 -0.148 3.830 3.960 0.029 0.000 0.215 394 G C 0.468 175.576 174.900 0.347 0.000 1.131 394 G CA -0.004 45.108 45.100 0.019 0.000 0.785 394 G HN 0.427 nan 8.290 nan 0.000 0.539 395 H N 0.804 119.980 119.070 0.176 0.000 3.224 395 H HA 0.333 4.912 4.556 0.037 0.000 0.265 395 H C 0.492 175.920 175.328 0.166 0.000 1.461 395 H CA -0.732 55.400 56.048 0.139 0.000 1.509 395 H CB -0.072 29.740 29.762 0.084 0.000 1.686 395 H HN 0.362 nan 8.280 nan 0.000 0.514 396 I N -0.210 120.482 120.570 0.203 0.000 3.100 396 I HA 0.688 4.875 4.170 0.029 0.000 0.312 396 I C -0.166 175.944 176.117 -0.013 0.000 1.063 396 I CA -1.415 59.931 61.300 0.076 0.000 1.031 396 I CB 1.937 39.864 38.000 -0.122 0.000 1.243 396 I HN 0.112 nan 8.210 nan 0.000 0.483 397 V N -1.982 117.911 119.914 -0.035 0.000 3.102 397 V HA 0.669 4.806 4.120 0.029 0.000 0.312 397 V C -2.828 173.369 176.094 0.173 0.000 1.135 397 V CA -2.608 59.733 62.300 0.069 0.000 1.022 397 V CB 1.006 32.856 31.823 0.046 0.000 1.056 397 V HN 0.637 nan 8.190 nan 0.000 0.436 398 P HA 0.331 nan 4.420 nan 0.000 0.262 398 P C 0.919 178.219 177.300 0.001 0.000 1.182 398 P CA 1.990 65.162 63.100 0.120 0.000 0.761 398 P CB 0.522 32.268 31.700 0.077 0.000 0.795 399 G N 1.726 110.479 108.800 -0.078 0.000 2.231 399 G HA2 -0.154 3.823 3.960 0.029 0.000 0.206 399 G HA3 -0.154 3.823 3.960 0.029 0.000 0.206 399 G C -0.286 174.527 174.900 -0.146 0.000 0.996 399 G CA -0.427 44.606 45.100 -0.111 0.000 0.645 399 G HN 0.456 nan 8.290 nan 0.000 0.498 400 L N 0.165 121.313 121.223 -0.125 0.000 2.323 400 L HA 0.916 5.273 4.340 0.029 0.000 0.265 400 L C -0.647 176.166 176.870 -0.095 0.000 1.012 400 L CA -1.058 53.686 54.840 -0.160 0.000 0.820 400 L CB 2.158 44.048 42.059 -0.281 0.000 1.334 400 L HN 0.092 nan 8.230 nan 0.000 0.427 401 D N -0.538 119.793 120.400 -0.115 0.000 2.639 401 D HA 0.455 5.113 4.640 0.029 0.000 0.271 401 D C -1.192 175.057 176.300 -0.084 0.000 1.254 401 D CA -0.351 53.554 54.000 -0.158 0.000 0.810 401 D CB 1.992 42.769 40.800 -0.039 0.000 1.351 401 D HN 0.118 nan 8.370 nan 0.000 0.427 402 F N -0.187 119.902 119.950 0.231 0.000 2.294 402 F HA 0.534 5.086 4.527 0.043 0.000 0.319 402 F C 1.509 177.345 175.800 0.060 0.000 1.107 402 F CA -0.214 57.859 58.000 0.123 0.000 1.094 402 F CB 0.991 40.032 39.000 0.067 0.000 1.508 402 F HN 0.225 nan 8.300 nan 0.000 0.506 403 T N -3.351 111.314 114.554 0.185 0.000 2.804 403 T HA 0.302 4.670 4.350 0.029 0.000 0.290 403 T C -0.100 174.636 174.700 0.059 0.000 1.099 403 T CA -0.968 61.207 62.100 0.125 0.000 1.011 403 T CB 1.216 70.121 68.868 0.062 0.000 1.291 403 T HN 0.330 nan 8.240 nan 0.000 0.523 404 N N 1.073 119.809 118.700 0.060 0.000 2.461 404 N HA 0.052 4.810 4.740 0.029 0.000 0.188 404 N C 0.090 175.607 175.510 0.012 0.000 1.134 404 N CA 0.127 53.197 53.050 0.034 0.000 0.878 404 N CB -0.421 38.103 38.487 0.062 0.000 0.972 404 N HN 0.702 nan 8.380 nan 0.000 0.456 405 D N 2.243 122.636 120.400 -0.012 0.000 2.662 405 D HA -0.084 4.573 4.640 0.029 0.000 0.237 405 D C -1.413 174.881 176.300 -0.011 0.000 1.154 405 D CA -0.902 53.115 54.000 0.028 0.000 0.861 405 D CB 1.229 41.996 40.800 -0.054 0.000 1.146 405 D HN 0.146 nan 8.370 nan 0.000 0.518 406 P HA -0.101 nan 4.420 nan 0.000 0.229 406 P C 1.475 178.788 177.300 0.021 0.000 1.160 406 P CA 0.164 63.277 63.100 0.021 0.000 0.777 406 P CB 0.388 32.092 31.700 0.006 0.000 0.814 407 L N -0.364 120.886 121.223 0.045 0.000 2.102 407 L HA 0.037 4.395 4.340 0.029 0.000 0.202 407 L C 2.325 179.108 176.870 -0.144 0.000 1.076 407 L CA 1.230 56.091 54.840 0.036 0.000 0.761 407 L CB -1.554 40.611 42.059 0.177 0.000 0.921 407 L HN -0.174 nan 8.230 nan 0.000 0.444 408 L N -0.532 120.441 121.223 -0.416 0.000 2.046 408 L HA -0.204 4.154 4.340 0.029 0.000 0.208 408 L C 2.431 179.050 176.870 -0.418 0.000 1.077 408 L CA 1.765 56.141 54.840 -0.774 0.000 0.747 408 L CB -0.937 40.407 42.059 -1.190 0.000 0.896 408 L HN 0.358 nan 8.230 nan 0.000 0.432 409 Q N -0.051 119.577 119.800 -0.287 0.000 2.077 409 Q HA -0.173 4.184 4.340 0.029 0.000 0.206 409 Q C 2.099 178.018 176.000 -0.135 0.000 0.989 409 Q CA 1.899 57.576 55.803 -0.210 0.000 0.853 409 Q CB -0.830 27.836 28.738 -0.121 0.000 0.907 409 Q HN 0.710 nan 8.270 nan 0.000 0.418 410 G N 0.323 109.075 108.800 -0.079 0.000 2.430 410 G HA2 -0.195 3.783 3.960 0.029 0.000 0.216 410 G HA3 -0.195 3.783 3.960 0.029 0.000 0.216 410 G C 1.503 176.422 174.900 0.033 0.000 1.146 410 G CA 0.123 45.223 45.100 -0.000 0.000 0.793 410 G HN 0.246 nan 8.290 nan 0.000 0.537 411 R N -0.075 120.394 120.500 -0.051 0.000 2.127 411 R HA 0.015 4.373 4.340 0.029 0.000 0.238 411 R C 2.471 178.850 176.300 0.132 0.000 1.134 411 R CA 0.808 56.932 56.100 0.040 0.000 0.975 411 R CB -0.443 29.849 30.300 -0.015 0.000 0.865 411 R HN 0.345 nan 8.270 nan 0.000 0.447 412 L N -0.466 120.738 121.223 -0.032 0.000 2.127 412 L HA -0.208 4.149 4.340 0.029 0.000 0.211 412 L C 2.282 179.300 176.870 0.246 0.000 1.089 412 L CA 1.204 56.048 54.840 0.006 0.000 0.757 412 L CB -0.459 41.463 42.059 -0.229 0.000 0.899 412 L HN 0.172 nan 8.230 nan 0.000 0.434 413 F N -0.014 119.973 119.950 0.063 0.000 2.163 413 F HA -0.157 4.348 4.527 -0.036 0.000 0.297 413 F C 2.755 178.596 175.800 0.069 0.000 1.094 413 F CA 1.455 59.487 58.000 0.052 0.000 1.290 413 F CB -0.232 38.776 39.000 0.014 0.000 1.017 413 F HN -0.064 nan 8.300 nan 0.000 0.483 414 S N -0.512 115.200 115.700 0.020 0.000 2.356 414 S HA -0.229 4.258 4.470 0.029 0.000 0.223 414 S C 2.018 176.497 174.600 -0.202 0.000 1.032 414 S CA 1.602 59.701 58.200 -0.169 0.000 1.005 414 S CB -0.808 62.316 63.200 -0.127 0.000 0.867 414 S HN 0.569 nan 8.310 nan 0.000 0.449 415 Y N 1.260 121.540 120.300 -0.032 0.000 2.509 415 Y HA -0.001 4.594 4.550 0.075 0.000 0.293 415 Y C 2.802 178.399 175.900 -0.505 0.000 1.133 415 Y CA 1.007 59.072 58.100 -0.058 0.000 1.283 415 Y CB -0.480 38.403 38.460 0.706 0.000 1.001 415 Y HN 0.271 nan 8.280 nan 0.000 0.555 416 T N -0.801 113.423 114.554 -0.551 0.000 2.852 416 T HA -0.150 4.217 4.350 0.029 0.000 0.256 416 T C 1.400 175.901 174.700 -0.331 0.000 1.038 416 T CA 1.382 63.229 62.100 -0.422 0.000 1.141 416 T CB -0.352 68.331 68.868 -0.308 0.000 0.869 416 T HN 0.311 nan 8.240 nan 0.000 0.439 417 D N 0.996 121.139 120.400 -0.429 0.000 2.106 417 D HA -0.141 4.516 4.640 0.029 0.000 0.191 417 D C 2.253 178.390 176.300 -0.271 0.000 0.997 417 D CA 1.684 55.444 54.000 -0.401 0.000 0.834 417 D CB -0.524 39.843 40.800 -0.722 0.000 0.956 417 D HN 0.234 nan 8.370 nan 0.000 0.448 418 T N -1.168 113.220 114.554 -0.275 0.000 2.881 418 T HA -0.162 4.205 4.350 0.029 0.000 0.270 418 T C 1.649 176.219 174.700 -0.216 0.000 1.068 418 T CA 1.410 63.386 62.100 -0.206 0.000 1.131 418 T CB -0.203 68.543 68.868 -0.203 0.000 0.871 418 T HN 0.175 nan 8.240 nan 0.000 0.479 419 Q N 0.030 119.629 119.800 -0.335 0.000 2.472 419 Q HA 0.157 4.515 4.340 0.029 0.000 0.208 419 Q C 1.962 177.837 176.000 -0.208 0.000 0.958 419 Q CA 0.372 55.936 55.803 -0.398 0.000 0.932 419 Q CB -0.019 28.180 28.738 -0.899 0.000 1.007 419 Q HN 0.461 nan 8.270 nan 0.000 0.508 420 I N 0.027 120.526 120.570 -0.119 0.000 2.286 420 I HA -0.235 3.952 4.170 0.029 0.000 0.248 420 I C 2.095 178.204 176.117 -0.013 0.000 1.115 420 I CA 1.666 62.957 61.300 -0.015 0.000 1.392 420 I CB -1.288 36.709 38.000 -0.006 0.000 1.065 420 I HN 0.250 nan 8.210 nan 0.000 0.418 421 S N 0.303 115.981 115.700 -0.036 0.000 2.427 421 S HA -0.049 4.439 4.470 0.029 0.000 0.224 421 S C 2.154 176.740 174.600 -0.023 0.000 1.047 421 S CA 0.077 58.267 58.200 -0.017 0.000 0.953 421 S CB -0.354 62.840 63.200 -0.012 0.000 0.824 421 S HN 0.283 nan 8.310 nan 0.000 0.502 422 R N 1.004 121.472 120.500 -0.053 0.000 2.091 422 R HA 0.126 4.484 4.340 0.029 0.000 0.238 422 R C 1.212 177.486 176.300 -0.044 0.000 1.136 422 R CA 1.493 57.562 56.100 -0.051 0.000 0.959 422 R CB -0.248 30.001 30.300 -0.085 0.000 0.856 422 R HN 0.450 nan 8.270 nan 0.000 0.437 423 L N -0.731 120.455 121.223 -0.061 0.000 2.910 423 L HA 0.331 4.688 4.340 0.029 0.000 0.252 423 L C 0.801 177.687 176.870 0.027 0.000 1.195 423 L CA 0.243 55.069 54.840 -0.024 0.000 1.003 423 L CB 1.149 43.186 42.059 -0.036 0.000 1.328 423 L HN 0.571 nan 8.230 nan 0.000 0.540 424 G N 0.135 108.948 108.800 0.022 0.000 2.189 424 G HA2 -0.179 3.798 3.960 0.029 0.000 0.267 424 G HA3 -0.179 3.798 3.960 0.029 0.000 0.267 424 G C 0.466 175.404 174.900 0.064 0.000 0.975 424 G CA 0.154 45.276 45.100 0.037 0.000 0.644 424 G HN 0.765 nan 8.290 nan 0.000 0.537 425 G N -1.823 107.038 108.800 0.102 0.000 2.324 425 G HA2 0.631 4.609 3.960 0.029 0.000 0.293 425 G HA3 0.631 4.609 3.960 0.029 0.000 0.293 425 G C -2.304 172.737 174.900 0.234 0.000 1.297 425 G CA 0.389 45.566 45.100 0.128 0.000 0.853 425 G HN 0.370 nan 8.290 nan 0.000 0.535 426 P HA 0.123 nan 4.420 nan 0.000 0.249 426 P C 0.293 177.625 177.300 0.055 0.000 1.229 426 P CA 0.316 63.520 63.100 0.173 0.000 0.788 426 P CB 0.273 32.031 31.700 0.098 0.000 1.072 427 N N 0.426 119.162 118.700 0.060 0.000 2.327 427 N HA 0.060 4.817 4.740 0.029 0.000 0.231 427 N C 1.030 176.423 175.510 -0.196 0.000 1.130 427 N CA -0.150 52.852 53.050 -0.080 0.000 0.845 427 N CB -0.662 37.796 38.487 -0.048 0.000 1.073 427 N HN 0.277 nan 8.380 nan 0.000 0.496 428 F N 0.665 120.622 119.950 0.013 0.000 2.408 428 F HA -0.067 4.488 4.527 0.047 0.000 0.300 428 F C 2.180 177.935 175.800 -0.076 0.000 1.090 428 F CA 0.724 58.697 58.000 -0.045 0.000 1.427 428 F CB -0.716 38.266 39.000 -0.029 0.000 1.070 428 F HN 0.153 nan 8.300 nan 0.000 0.549 429 H N 0.411 119.102 119.070 -0.630 0.000 2.546 429 H HA 0.071 4.643 4.556 0.027 0.000 0.277 429 H C 0.876 176.055 175.328 -0.247 0.000 1.004 429 H CA 1.237 57.024 56.048 -0.435 0.000 1.231 429 H CB -0.831 28.555 29.762 -0.628 0.000 1.382 429 H HN 0.529 nan 8.280 nan 0.000 0.580 430 E N 0.931 120.705 120.200 -0.710 0.000 2.478 430 E HA 0.167 4.534 4.350 0.029 0.000 0.194 430 E C 0.328 176.820 176.600 -0.180 0.000 1.045 430 E CA -0.238 55.919 56.400 -0.406 0.000 0.868 430 E CB 0.489 29.971 29.700 -0.363 0.000 0.885 430 E HN 0.434 nan 8.360 nan 0.000 0.505 431 I N 2.691 123.174 120.570 -0.144 0.000 2.598 431 I HA -0.037 4.150 4.170 0.029 0.000 0.284 431 I C -1.563 174.499 176.117 -0.091 0.000 1.140 431 I CA -1.562 59.685 61.300 -0.087 0.000 1.420 431 I CB 0.592 38.553 38.000 -0.065 0.000 1.387 431 I HN -0.203 nan 8.210 nan 0.000 0.553 432 P HA -0.270 nan 4.420 nan 0.000 0.217 432 P C 1.729 178.959 177.300 -0.116 0.000 1.162 432 P CA 1.396 64.443 63.100 -0.088 0.000 0.901 432 P CB 0.157 31.811 31.700 -0.076 0.000 0.793 433 I N -0.873 119.601 120.570 -0.159 0.000 2.454 433 I HA -0.188 3.999 4.170 0.029 0.000 0.254 433 I C 1.339 177.385 176.117 -0.118 0.000 1.156 433 I CA 1.679 62.836 61.300 -0.238 0.000 1.433 433 I CB -0.771 36.981 38.000 -0.412 0.000 1.082 433 I HN -0.095 nan 8.210 nan 0.000 0.432 434 N N 0.603 119.251 118.700 -0.086 0.000 2.422 434 N HA 0.032 4.789 4.740 0.029 0.000 0.181 434 N C 0.315 175.840 175.510 0.024 0.000 1.080 434 N CA 0.196 53.226 53.050 -0.033 0.000 0.893 434 N CB -0.120 38.362 38.487 -0.008 0.000 0.973 434 N HN 0.369 nan 8.380 nan 0.000 0.456 435 R N 1.642 122.149 120.500 0.012 0.000 2.570 435 R HA 0.118 4.475 4.340 0.029 0.000 0.277 435 R C -2.219 174.150 176.300 0.115 0.000 1.039 435 R CA -1.099 55.014 56.100 0.020 0.000 1.065 435 R CB -0.155 30.138 30.300 -0.012 0.000 0.964 435 R HN 0.041 nan 8.270 nan 0.000 0.428 436 P HA -0.011 nan 4.420 nan 0.000 0.269 436 P C 0.531 177.908 177.300 0.128 0.000 1.215 436 P CA 0.016 63.198 63.100 0.137 0.000 0.780 436 P CB 0.682 32.418 31.700 0.060 0.000 0.898 437 T N -2.945 111.697 114.554 0.147 0.000 3.044 437 T HA 0.080 4.448 4.350 0.029 0.000 0.250 437 T C 0.856 175.600 174.700 0.074 0.000 1.081 437 T CA -0.020 62.120 62.100 0.065 0.000 1.040 437 T CB -1.032 67.855 68.868 0.032 0.000 0.962 437 T HN 0.566 nan 8.240 nan 0.000 0.506 438 C N 1.199 120.557 119.300 0.098 0.000 2.347 438 C HA 0.786 5.264 4.460 0.029 0.000 0.366 438 C C -2.445 172.602 174.990 0.095 0.000 1.241 438 C CA -2.523 56.550 59.018 0.092 0.000 2.360 438 C CB 0.117 27.918 27.740 0.101 0.000 2.290 438 C HN 0.169 nan 8.230 nan 0.000 0.587 439 P HA 0.289 nan 4.420 nan 0.000 0.268 439 P C -1.216 176.155 177.300 0.118 0.000 1.205 439 P CA 0.477 63.642 63.100 0.108 0.000 0.771 439 P CB -0.050 31.759 31.700 0.181 0.000 0.858 440 Y N 0.891 121.083 120.300 -0.181 0.000 2.361 440 Y HA 0.636 5.207 4.550 0.034 0.000 0.328 440 Y C -1.513 174.075 175.900 -0.520 0.000 1.044 440 Y CA -0.918 57.058 58.100 -0.207 0.000 1.085 440 Y CB 1.382 39.749 38.460 -0.156 0.000 1.194 440 Y HN 0.427 nan 8.280 nan 0.000 0.438 441 H N 4.070 123.057 119.070 -0.138 0.000 2.966 441 H HA 0.508 5.082 4.556 0.030 0.000 0.347 441 H C -1.198 174.028 175.328 -0.170 0.000 1.048 441 H CA -0.764 55.117 56.048 -0.278 0.000 1.295 441 H CB 1.571 31.200 29.762 -0.223 0.000 1.744 441 H HN 0.887 nan 8.280 nan 0.000 0.513 442 N N 0.558 119.173 118.700 -0.142 0.000 3.364 442 N HA 0.213 4.970 4.740 0.029 0.000 0.294 442 N C -1.127 174.188 175.510 -0.325 0.000 1.562 442 N CA -0.964 51.973 53.050 -0.188 0.000 0.862 442 N CB 0.724 39.240 38.487 0.048 0.000 1.691 442 N HN 0.281 nan 8.380 nan 0.000 0.572 443 F N -0.390 119.605 119.950 0.074 0.000 2.641 443 F HA 0.345 4.888 4.527 0.027 0.000 0.302 443 F C 0.393 176.237 175.800 0.072 0.000 1.098 443 F CA -0.369 57.668 58.000 0.062 0.000 1.318 443 F CB 0.155 39.185 39.000 0.050 0.000 1.035 443 F HN 0.130 nan 8.300 nan 0.000 0.551 444 Q N 1.583 121.492 119.800 0.183 0.000 2.314 444 Q HA 0.416 4.774 4.340 0.029 0.000 0.258 444 Q C 0.063 176.140 176.000 0.127 0.000 0.954 444 Q CA -0.089 55.798 55.803 0.141 0.000 0.890 444 Q CB 1.139 29.936 28.738 0.099 0.000 1.210 444 Q HN 0.104 nan 8.270 nan 0.000 0.410 445 R N 1.600 122.168 120.500 0.113 0.000 2.836 445 R HA 0.368 4.725 4.340 0.029 0.000 0.269 445 R C -0.610 175.738 176.300 0.080 0.000 1.010 445 R CA -0.632 55.525 56.100 0.096 0.000 0.930 445 R CB 1.148 31.507 30.300 0.098 0.000 1.218 445 R HN 0.714 nan 8.270 nan 0.000 0.473 446 D N -0.261 120.178 120.400 0.065 0.000 3.455 446 D HA -0.164 4.493 4.640 0.029 0.000 0.216 446 D C 0.322 176.656 176.300 0.057 0.000 1.510 446 D CA 1.979 56.010 54.000 0.052 0.000 1.128 446 D CB -1.049 39.781 40.800 0.049 0.000 0.680 446 D HN 0.892 nan 8.370 nan 0.000 0.828 447 G N -1.316 107.515 108.800 0.053 0.000 2.692 447 G HA2 0.232 4.209 3.960 0.029 0.000 0.686 447 G HA3 0.232 4.209 3.960 0.029 0.000 0.686 447 G C -0.276 174.659 174.900 0.058 0.000 1.243 447 G CA 0.053 45.188 45.100 0.059 0.000 0.782 447 G HN 0.795 nan 8.290 nan 0.000 0.625 448 M N 1.122 120.763 119.600 0.067 0.000 2.250 448 M HA 0.455 4.952 4.480 0.029 0.000 0.337 448 M C 1.105 177.482 176.300 0.128 0.000 1.161 448 M CA 1.154 56.503 55.300 0.082 0.000 1.088 448 M CB -0.509 32.139 32.600 0.081 0.000 1.639 448 M HN 1.544 nan 8.290 nan 0.000 0.447 449 H N 0.923 119.999 119.070 0.010 0.000 2.592 449 H HA -0.189 4.384 4.556 0.029 0.000 0.323 449 H C -0.762 174.560 175.328 -0.011 0.000 1.117 449 H CA 0.768 56.817 56.048 0.003 0.000 1.120 449 H CB -0.663 29.103 29.762 0.006 0.000 1.561 449 H HN 0.589 nan 8.280 nan 0.000 0.409 450 R N 1.757 122.265 120.500 0.014 0.000 2.351 450 R HA 0.067 4.425 4.340 0.029 0.000 0.318 450 R C 0.879 177.158 176.300 -0.034 0.000 1.055 450 R CA -0.030 56.072 56.100 0.003 0.000 0.968 450 R CB 0.248 30.552 30.300 0.008 0.000 0.974 450 R HN 0.407 nan 8.270 nan 0.000 0.439 451 M N 2.521 122.114 119.600 -0.012 0.000 2.398 451 M HA 0.213 4.711 4.480 0.029 0.000 0.261 451 M C 0.962 177.248 176.300 -0.022 0.000 1.125 451 M CA 1.050 56.339 55.300 -0.019 0.000 1.183 451 M CB -0.911 31.691 32.600 0.003 0.000 1.322 451 M HN 0.696 nan 8.290 nan 0.000 0.467 452 G N 1.997 110.790 108.800 -0.011 0.000 2.313 452 G HA2 0.355 4.332 3.960 0.029 0.000 0.250 452 G HA3 0.355 4.332 3.960 0.029 0.000 0.250 452 G C -0.332 174.557 174.900 -0.019 0.000 1.281 452 G CA -0.335 44.754 45.100 -0.018 0.000 0.917 452 G HN 0.339 nan 8.290 nan 0.000 0.501 453 I N 2.984 123.537 120.570 -0.029 0.000 2.307 453 I HA 0.093 4.281 4.170 0.029 0.000 0.287 453 I C -0.246 175.856 176.117 -0.024 0.000 1.054 453 I CA -0.552 60.735 61.300 -0.021 0.000 1.218 453 I CB 0.864 38.852 38.000 -0.020 0.000 1.398 453 I HN 0.361 nan 8.210 nan 0.000 0.475 454 D N 4.863 125.254 120.400 -0.015 0.000 2.383 454 D HA 0.043 4.700 4.640 0.029 0.000 0.252 454 D C 1.250 177.549 176.300 -0.002 0.000 1.166 454 D CA 0.293 54.283 54.000 -0.016 0.000 0.879 454 D CB 1.709 42.507 40.800 -0.003 0.000 1.164 454 D HN 0.561 nan 8.370 nan 0.000 0.462 455 T N -0.735 113.814 114.554 -0.008 0.000 3.086 455 T HA -0.060 4.307 4.350 0.029 0.000 0.250 455 T C 0.838 175.544 174.700 0.011 0.000 1.074 455 T CA -0.557 61.543 62.100 0.000 0.000 0.988 455 T CB 0.163 69.025 68.868 -0.010 0.000 0.988 455 T HN 0.117 nan 8.240 nan 0.000 0.530 456 N N 3.290 121.997 118.700 0.012 0.000 2.411 456 N HA 0.088 4.845 4.740 0.029 0.000 0.261 456 N C -1.659 173.886 175.510 0.059 0.000 1.248 456 N CA -1.488 51.581 53.050 0.032 0.000 0.885 456 N CB 1.458 39.964 38.487 0.032 0.000 1.062 456 N HN 0.054 nan 8.380 nan 0.000 0.471 457 P HA -0.032 nan 4.420 nan 0.000 0.218 457 P C -0.540 176.817 177.300 0.095 0.000 1.148 457 P CA 1.032 64.174 63.100 0.071 0.000 0.822 457 P CB 0.201 31.939 31.700 0.064 0.000 0.784 458 A N 0.441 123.306 122.820 0.076 0.000 2.312 458 A HA 0.423 4.760 4.320 0.029 0.000 0.328 458 A C 0.440 178.122 177.584 0.162 0.000 1.158 458 A CA -0.638 51.401 52.037 0.002 0.000 0.821 458 A CB 0.106 18.921 19.000 -0.308 0.000 1.170 458 A HN 0.276 nan 8.150 nan 0.000 0.490 459 N N -0.145 118.689 118.700 0.224 0.000 2.291 459 N HA 0.344 5.101 4.740 0.029 0.000 0.244 459 N C -0.853 174.825 175.510 0.282 0.000 1.216 459 N CA -0.342 52.921 53.050 0.355 0.000 0.879 459 N CB 0.345 38.993 38.487 0.268 0.000 1.167 459 N HN 0.689 nan 8.380 nan 0.000 0.515 460 Y N -0.876 119.325 120.300 -0.166 0.000 2.625 460 Y HA 0.702 5.268 4.550 0.028 0.000 0.338 460 Y C -1.459 173.863 175.900 -0.963 0.000 1.123 460 Y CA -1.373 56.447 58.100 -0.467 0.000 1.046 460 Y CB 1.086 39.425 38.460 -0.203 0.000 1.299 460 Y HN 0.052 nan 8.280 nan 0.000 0.464 461 E N 0.774 120.515 120.200 -0.764 0.000 2.356 461 E HA 0.630 4.997 4.350 0.029 0.000 0.275 461 E C -3.205 173.283 176.600 -0.186 0.000 0.904 461 E CA -2.036 53.995 56.400 -0.615 0.000 0.757 461 E CB 1.644 30.906 29.700 -0.730 0.000 1.232 461 E HN 0.563 nan 8.360 nan 0.000 0.442 462 P HA 0.288 nan 4.420 nan 0.000 0.275 462 P C -1.249 176.011 177.300 -0.068 0.000 1.227 462 P CA -0.419 62.613 63.100 -0.114 0.000 0.781 462 P CB 0.492 32.159 31.700 -0.055 0.000 0.906 463 N N -1.276 117.313 118.700 -0.184 0.000 2.229 463 N HA 0.341 5.099 4.740 0.029 0.000 0.298 463 N C 0.279 175.743 175.510 -0.077 0.000 1.114 463 N CA -0.756 52.193 53.050 -0.170 0.000 0.776 463 N CB 1.496 39.593 38.487 -0.651 0.000 1.501 463 N HN 0.181 nan 8.380 nan 0.000 0.474 464 S N 0.858 116.561 115.700 0.004 0.000 2.497 464 S HA -0.006 4.481 4.470 0.029 0.000 0.218 464 S C 1.571 176.183 174.600 0.021 0.000 1.023 464 S CA 0.031 58.234 58.200 0.005 0.000 0.913 464 S CB -0.794 62.420 63.200 0.023 0.000 0.800 464 S HN 0.716 nan 8.310 nan 0.000 0.505 465 I N -0.608 119.983 120.570 0.035 0.000 2.756 465 I HA 0.184 4.371 4.170 0.029 0.000 0.262 465 I C 1.272 177.419 176.117 0.050 0.000 1.225 465 I CA 1.302 62.632 61.300 0.051 0.000 1.472 465 I CB -0.380 37.670 38.000 0.083 0.000 1.094 465 I HN 0.185 nan 8.210 nan 0.000 0.454 466 N N 1.140 119.867 118.700 0.045 0.000 2.291 466 N HA 0.037 4.795 4.740 0.029 0.000 0.244 466 N C -0.076 175.536 175.510 0.170 0.000 1.216 466 N CA -0.040 53.076 53.050 0.111 0.000 0.879 466 N CB 0.005 38.570 38.487 0.129 0.000 1.167 466 N HN 0.218 nan 8.380 nan 0.000 0.515 467 D N 0.771 121.219 120.400 0.081 0.000 2.751 467 D HA -0.254 4.404 4.640 0.029 0.000 0.233 467 D C -0.061 176.129 176.300 -0.183 0.000 1.149 467 D CA 1.090 55.103 54.000 0.021 0.000 0.682 467 D CB -1.358 39.531 40.800 0.150 0.000 1.068 467 D HN 0.475 nan 8.370 nan 0.000 0.429 468 N N -1.743 116.870 118.700 -0.145 0.000 2.800 468 N HA -0.244 4.513 4.740 0.029 0.000 0.250 468 N C -0.755 174.662 175.510 -0.156 0.000 1.078 468 N CA 1.402 54.338 53.050 -0.190 0.000 0.804 468 N CB -1.339 36.989 38.487 -0.265 0.000 1.135 468 N HN 0.536 nan 8.380 nan 0.000 0.565 469 W N 1.168 122.518 121.300 0.084 0.000 2.313 469 W HA 0.431 5.108 4.660 0.028 0.000 0.328 469 W C -1.603 174.945 176.519 0.048 0.000 1.197 469 W CA -1.578 55.795 57.345 0.048 0.000 1.235 469 W CB 0.423 29.860 29.460 -0.039 0.000 1.158 469 W HN -0.034 nan 8.180 nan 0.000 0.578 470 P HA 0.149 nan 4.420 nan 0.000 0.271 470 P C -0.718 176.719 177.300 0.228 0.000 1.218 470 P CA -0.002 63.230 63.100 0.221 0.000 0.780 470 P CB 0.878 32.565 31.700 -0.021 0.000 0.901 471 R N 1.080 121.699 120.500 0.198 0.000 2.732 471 R HA 0.335 4.692 4.340 0.029 0.000 0.278 471 R C 0.315 176.652 176.300 0.062 0.000 0.976 471 R CA -0.864 55.226 56.100 -0.017 0.000 0.963 471 R CB 1.171 31.234 30.300 -0.395 0.000 1.150 471 R HN 0.475 nan 8.270 nan 0.000 0.478 472 E N 0.692 120.916 120.200 0.039 0.000 2.436 472 E HA 0.014 4.382 4.350 0.029 0.000 0.262 472 E C -0.552 176.073 176.600 0.042 0.000 1.063 472 E CA 0.723 57.156 56.400 0.055 0.000 0.944 472 E CB 0.614 30.335 29.700 0.035 0.000 0.950 472 E HN 0.367 nan 8.360 nan 0.000 0.444 473 T N 3.513 118.103 114.554 0.060 0.000 2.879 473 T HA 0.325 4.693 4.350 0.029 0.000 0.290 473 T C -2.467 172.259 174.700 0.044 0.000 0.993 473 T CA -1.577 60.557 62.100 0.056 0.000 0.975 473 T CB 1.446 70.360 68.868 0.077 0.000 0.981 473 T HN 0.237 nan 8.240 nan 0.000 0.439 474 P HA 0.197 nan 4.420 nan 0.000 0.267 474 P C -2.428 174.880 177.300 0.013 0.000 1.200 474 P CA -1.162 61.948 63.100 0.015 0.000 0.772 474 P CB -0.404 31.300 31.700 0.007 0.000 0.855 475 P HA 0.229 nan 4.420 nan 0.000 0.269 475 P C 0.010 177.299 177.300 -0.019 0.000 1.209 475 P CA 0.465 63.550 63.100 -0.024 0.000 0.776 475 P CB 0.626 32.289 31.700 -0.062 0.000 0.876 476 G N 1.425 110.214 108.800 -0.020 0.000 2.495 476 G HA2 0.399 4.376 3.960 0.029 0.000 0.294 476 G HA3 0.399 4.376 3.960 0.029 0.000 0.294 476 G C -2.485 172.406 174.900 -0.015 0.000 1.397 476 G CA -0.779 44.314 45.100 -0.013 0.000 0.790 476 G HN 0.154 nan 8.290 nan 0.000 0.486 477 P HA 0.002 nan 4.420 nan 0.000 0.218 477 P C 0.309 177.606 177.300 -0.006 0.000 1.148 477 P CA 1.315 64.407 63.100 -0.013 0.000 0.822 477 P CB 0.381 32.076 31.700 -0.008 0.000 0.784 478 K N -1.294 119.110 120.400 0.006 0.000 2.542 478 K HA 0.290 4.628 4.320 0.029 0.000 0.259 478 K C -0.357 176.260 176.600 0.029 0.000 0.932 478 K CA -0.725 55.573 56.287 0.018 0.000 0.820 478 K CB 1.229 33.740 32.500 0.019 0.000 1.345 478 K HN -0.378 nan 8.250 nan 0.000 0.432 479 R N -0.042 120.483 120.500 0.042 0.000 3.641 479 R HA -0.145 4.213 4.340 0.029 0.000 0.286 479 R C -0.185 176.147 176.300 0.053 0.000 1.153 479 R CA 1.088 57.220 56.100 0.053 0.000 0.775 479 R CB -2.321 28.010 30.300 0.052 0.000 1.215 479 R HN 0.851 nan 8.270 nan 0.000 0.474 480 G N -0.983 107.844 108.800 0.044 0.000 2.488 480 G HA2 0.637 4.615 3.960 0.029 0.000 0.318 480 G HA3 0.637 4.615 3.960 0.029 0.000 0.318 480 G C 0.374 175.309 174.900 0.059 0.000 1.188 480 G CA 0.059 45.183 45.100 0.040 0.000 0.944 480 G HN 0.262 nan 8.290 nan 0.000 0.495 481 G N -1.243 107.594 108.800 0.062 0.000 2.606 481 G HA2 0.410 4.387 3.960 0.029 0.000 0.252 481 G HA3 0.410 4.387 3.960 0.029 0.000 0.252 481 G C -0.722 174.236 174.900 0.097 0.000 1.206 481 G CA -0.577 44.583 45.100 0.100 0.000 0.861 481 G HN 0.459 nan 8.290 nan 0.000 0.561 482 F N 0.288 120.256 119.950 0.030 0.000 2.467 482 F HA 0.393 4.941 4.527 0.035 0.000 0.362 482 F C 0.525 176.343 175.800 0.029 0.000 1.090 482 F CA -0.238 57.776 58.000 0.023 0.000 1.202 482 F CB 0.875 39.892 39.000 0.028 0.000 1.113 482 F HN 0.426 nan 8.300 nan 0.000 0.541 483 E N 4.217 124.069 120.200 -0.580 0.000 2.246 483 E HA 0.308 4.675 4.350 0.029 0.000 0.266 483 E C -1.085 175.210 176.600 -0.509 0.000 0.880 483 E CA -0.758 55.455 56.400 -0.312 0.000 0.762 483 E CB 1.491 31.088 29.700 -0.171 0.000 1.180 483 E HN 0.616 nan 8.360 nan 0.000 0.416 484 S N 2.562 118.179 115.700 -0.138 0.000 2.572 484 S HA -0.005 4.483 4.470 0.029 0.000 0.279 484 S C -0.511 174.079 174.600 -0.016 0.000 1.341 484 S CA -0.340 57.856 58.200 -0.006 0.000 1.043 484 S CB 0.145 63.466 63.200 0.200 0.000 0.887 484 S HN 0.478 nan 8.310 nan 0.000 0.516 485 Y N 2.482 122.725 120.300 -0.095 0.000 2.620 485 Y HA -0.011 4.556 4.550 0.027 0.000 0.330 485 Y C 0.789 176.673 175.900 -0.027 0.000 1.186 485 Y CA 0.052 58.105 58.100 -0.079 0.000 1.467 485 Y CB 0.153 38.568 38.460 -0.074 0.000 1.262 485 Y HN 0.578 nan 8.280 nan 0.000 0.550 486 Q N 5.277 124.731 119.800 -0.577 0.000 3.184 486 Q HA 0.027 4.384 4.340 0.029 0.000 0.288 486 Q C -0.229 175.478 176.000 -0.488 0.000 1.412 486 Q CA -0.044 55.517 55.803 -0.405 0.000 0.991 486 Q CB -0.193 28.378 28.738 -0.278 0.000 1.688 486 Q HN 0.646 nan 8.270 nan 0.000 0.554 487 E N 1.510 121.506 120.200 -0.340 0.000 2.413 487 E HA -0.001 4.367 4.350 0.029 0.000 0.263 487 E C -0.261 176.308 176.600 -0.052 0.000 1.015 487 E CA -0.446 55.882 56.400 -0.120 0.000 0.916 487 E CB 0.648 30.423 29.700 0.125 0.000 0.947 487 E HN 0.138 nan 8.360 nan 0.000 0.440 488 R N 3.110 123.602 120.500 -0.012 0.000 2.347 488 R HA 0.205 4.562 4.340 0.029 0.000 0.304 488 R C -1.478 174.845 176.300 0.038 0.000 1.072 488 R CA -0.213 55.890 56.100 0.005 0.000 0.980 488 R CB 0.775 31.084 30.300 0.016 0.000 0.986 488 R HN 0.274 nan 8.270 nan 0.000 0.448 489 V N 5.350 125.279 119.914 0.025 0.000 2.378 489 V HA 0.401 4.538 4.120 0.029 0.000 0.288 489 V C -0.454 175.653 176.094 0.022 0.000 1.016 489 V CA -0.562 61.758 62.300 0.032 0.000 0.840 489 V CB 1.466 33.306 31.823 0.029 0.000 0.994 489 V HN 0.805 nan 8.190 nan 0.000 0.431 490 E N 3.186 123.401 120.200 0.024 0.000 2.260 490 E HA 0.734 5.101 4.350 0.029 0.000 0.266 490 E C -0.034 176.572 176.600 0.009 0.000 0.887 490 E CA -0.490 55.919 56.400 0.014 0.000 0.777 490 E CB 2.518 32.226 29.700 0.013 0.000 1.205 490 E HN 0.952 nan 8.360 nan 0.000 0.414 491 G N 2.448 111.249 108.800 0.001 0.000 2.337 491 G HA2 0.076 4.054 3.960 0.029 0.000 0.298 491 G HA3 0.076 4.054 3.960 0.029 0.000 0.298 491 G C -1.517 173.377 174.900 -0.009 0.000 1.335 491 G CA -1.084 44.013 45.100 -0.005 0.000 0.875 491 G HN 0.387 nan 8.290 nan 0.000 0.579 492 N N 0.083 118.774 118.700 -0.015 0.000 2.495 492 N HA 0.448 5.206 4.740 0.029 0.000 0.280 492 N C -0.202 175.295 175.510 -0.022 0.000 1.168 492 N CA -0.614 52.426 53.050 -0.017 0.000 0.978 492 N CB 1.079 39.555 38.487 -0.018 0.000 1.191 492 N HN 0.447 nan 8.380 nan 0.000 0.497 493 K N 1.167 121.554 120.400 -0.022 0.000 2.361 493 K HA 0.145 4.482 4.320 0.029 0.000 0.283 493 K C -0.676 175.902 176.600 -0.035 0.000 1.078 493 K CA -0.050 56.220 56.287 -0.028 0.000 1.041 493 K CB -0.377 32.108 32.500 -0.025 0.000 0.932 493 K HN 0.361 nan 8.250 nan 0.000 0.462 494 V N 0.244 120.132 119.914 -0.044 0.000 3.007 494 V HA 0.472 4.609 4.120 0.029 0.000 0.311 494 V C -0.512 175.542 176.094 -0.066 0.000 1.120 494 V CA -1.348 60.922 62.300 -0.051 0.000 0.980 494 V CB 2.095 33.890 31.823 -0.047 0.000 1.033 494 V HN 0.610 nan 8.190 nan 0.000 0.429 495 R N 2.104 122.560 120.500 -0.073 0.000 2.666 495 R HA 0.567 4.924 4.340 0.029 0.000 0.275 495 R C -0.524 175.728 176.300 -0.081 0.000 1.266 495 R CA -0.131 55.913 56.100 -0.093 0.000 1.401 495 R CB 0.727 30.959 30.300 -0.114 0.000 1.145 495 R HN 0.920 nan 8.270 nan 0.000 0.581 496 E N 1.888 122.038 120.200 -0.084 0.000 2.304 496 E HA 0.223 4.591 4.350 0.029 0.000 0.277 496 E C -1.221 175.312 176.600 -0.112 0.000 0.898 496 E CA -1.010 55.342 56.400 -0.079 0.000 0.764 496 E CB 1.706 31.366 29.700 -0.066 0.000 1.216 496 E HN 0.108 nan 8.360 nan 0.000 0.419 497 R N 1.617 122.054 120.500 -0.105 0.000 2.438 497 R HA 0.195 4.552 4.340 0.029 0.000 0.287 497 R C -0.472 175.708 176.300 -0.200 0.000 1.077 497 R CA 0.118 56.115 56.100 -0.171 0.000 1.034 497 R CB 1.160 31.415 30.300 -0.076 0.000 0.993 497 R HN 0.375 nan 8.270 nan 0.000 0.459 498 S N 4.793 120.266 115.700 -0.377 0.000 2.549 498 S HA 0.142 4.629 4.470 0.029 0.000 0.283 498 S C -1.531 173.035 174.600 -0.057 0.000 1.320 498 S CA -1.299 56.769 58.200 -0.220 0.000 1.058 498 S CB 0.687 63.723 63.200 -0.273 0.000 0.882 498 S HN 0.548 nan 8.310 nan 0.000 0.498 499 P HA -0.116 nan 4.420 nan 0.000 0.218 499 P C 1.570 178.916 177.300 0.077 0.000 1.148 499 P CA 1.323 64.440 63.100 0.029 0.000 0.822 499 P CB -0.241 31.467 31.700 0.013 0.000 0.784 500 S N -1.774 114.008 115.700 0.137 0.000 2.440 500 S HA -0.150 4.338 4.470 0.029 0.000 0.238 500 S C 1.504 176.271 174.600 0.278 0.000 1.010 500 S CA 1.024 59.343 58.200 0.198 0.000 0.972 500 S CB -1.449 61.907 63.200 0.261 0.000 0.774 500 S HN -0.022 nan 8.310 nan 0.000 0.501 501 F N 2.154 122.091 119.950 -0.021 0.000 2.789 501 F HA 0.387 4.929 4.527 0.026 0.000 0.300 501 F C 2.023 177.752 175.800 -0.119 0.000 1.132 501 F CA -0.842 57.139 58.000 -0.031 0.000 1.404 501 F CB -0.756 38.258 39.000 0.023 0.000 1.114 501 F HN 0.335 nan 8.300 nan 0.000 0.584 502 G N 0.719 109.523 108.800 0.006 0.000 3.353 502 G HA2 0.055 4.032 3.960 0.029 0.000 0.247 502 G HA3 0.055 4.032 3.960 0.029 0.000 0.247 502 G C 0.022 174.486 174.900 -0.726 0.000 1.025 502 G CA 0.190 45.106 45.100 -0.306 0.000 1.863 502 G HN 0.056 nan 8.290 nan 0.000 0.635 503 E N 0.144 119.823 120.200 -0.869 0.000 2.274 503 E HA 0.298 4.665 4.350 0.029 0.000 0.269 503 E C -0.889 175.271 176.600 -0.733 0.000 0.891 503 E CA -0.760 55.223 56.400 -0.695 0.000 0.784 503 E CB 1.413 30.954 29.700 -0.265 0.000 1.225 503 E HN 0.232 nan 8.360 nan 0.000 0.412 504 Y N 2.679 122.749 120.300 -0.384 0.000 2.471 504 Y HA 0.199 4.766 4.550 0.029 0.000 0.249 504 Y C 0.675 176.297 175.900 -0.463 0.000 1.116 504 Y CA -0.123 57.672 58.100 -0.509 0.000 1.240 504 Y CB 0.397 38.402 38.460 -0.760 0.000 1.251 504 Y HN 0.421 nan 8.280 nan 0.000 0.527 505 Y N -1.400 118.981 120.300 0.136 0.000 2.483 505 Y HA 0.093 4.661 4.550 0.031 0.000 0.258 505 Y C 2.387 178.347 175.900 0.100 0.000 1.083 505 Y CA 0.096 58.271 58.100 0.125 0.000 1.283 505 Y CB -0.359 38.181 38.460 0.133 0.000 1.178 505 Y HN 0.061 nan 8.280 nan 0.000 0.515 506 S N -0.652 115.178 115.700 0.217 0.000 2.383 506 S HA -0.197 4.290 4.470 0.029 0.000 0.227 506 S C 1.460 176.146 174.600 0.144 0.000 1.026 506 S CA 1.621 59.935 58.200 0.191 0.000 0.981 506 S CB -0.561 62.759 63.200 0.199 0.000 0.818 506 S HN 0.422 nan 8.310 nan 0.000 0.472 507 H N 2.962 121.936 119.070 -0.161 0.000 2.326 507 H HA 0.169 4.743 4.556 0.030 0.000 0.301 507 H C -0.607 174.518 175.328 -0.338 0.000 1.081 507 H CA 1.384 57.176 56.048 -0.426 0.000 1.334 507 H CB -1.805 27.452 29.762 -0.842 0.000 1.385 507 H HN 0.381 nan 8.280 nan 0.000 0.504 508 P HA -0.180 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 1.746 65.000 63.100 0.256 0.000 0.858 508 P CB 0.078 31.955 31.700 0.294 0.000 0.789 509 R N -0.454 120.181 120.500 0.225 0.000 2.075 509 R HA -0.129 4.228 4.340 0.029 0.000 0.232 509 R C 2.177 178.611 176.300 0.224 0.000 1.126 509 R CA 1.167 57.404 56.100 0.229 0.000 0.963 509 R CB -1.074 29.321 30.300 0.159 0.000 0.858 509 R HN 0.063 nan 8.270 nan 0.000 0.435 510 L N 0.435 121.734 121.223 0.127 0.000 2.042 510 L HA -0.138 4.219 4.340 0.029 0.000 0.210 510 L C 1.980 178.913 176.870 0.104 0.000 1.076 510 L CA 1.771 56.648 54.840 0.061 0.000 0.749 510 L CB -0.747 41.274 42.059 -0.063 0.000 0.893 510 L HN 0.249 nan 8.230 nan 0.000 0.432 511 F N -0.753 119.233 119.950 0.059 0.000 2.075 511 F HA -0.285 4.261 4.527 0.032 0.000 0.297 511 F C 2.344 178.146 175.800 0.004 0.000 1.113 511 F CA 2.196 60.212 58.000 0.028 0.000 1.218 511 F CB -0.627 38.437 39.000 0.106 0.000 0.984 511 F HN 0.388 nan 8.300 nan 0.000 0.472 512 W N 1.503 122.779 121.300 -0.041 0.000 2.335 512 W HA -0.248 4.429 4.660 0.028 0.000 0.311 512 W C 1.768 178.160 176.519 -0.212 0.000 1.213 512 W CA 1.851 59.111 57.345 -0.142 0.000 1.274 512 W CB -0.768 28.711 29.460 0.032 0.000 1.148 512 W HN 0.095 nan 8.180 nan 0.000 0.498 513 L N 1.146 122.292 121.223 -0.129 0.000 2.362 513 L HA -0.158 4.199 4.340 0.029 0.000 0.219 513 L C 2.353 179.034 176.870 -0.315 0.000 1.134 513 L CA 1.068 55.765 54.840 -0.237 0.000 0.807 513 L CB -0.700 41.343 42.059 -0.028 0.000 0.927 513 L HN -0.136 nan 8.230 nan 0.000 0.447 514 S N -1.464 114.032 115.700 -0.340 0.000 2.527 514 S HA 0.036 4.523 4.470 0.029 0.000 0.222 514 S C 0.762 175.081 174.600 -0.468 0.000 0.985 514 S CA 0.145 58.144 58.200 -0.335 0.000 0.921 514 S CB 0.020 63.061 63.200 -0.265 0.000 0.772 514 S HN 0.312 nan 8.310 nan 0.000 0.529 515 Q N 2.258 121.665 119.800 -0.655 0.000 2.306 515 Q HA 0.267 4.624 4.340 0.029 0.000 0.241 515 Q C 0.630 176.237 176.000 -0.654 0.000 0.948 515 Q CA -0.081 55.299 55.803 -0.706 0.000 0.886 515 Q CB 0.310 28.545 28.738 -0.839 0.000 1.227 515 Q HN 0.427 nan 8.270 nan 0.000 0.457 516 T N -1.670 112.458 114.554 -0.710 0.000 2.748 516 T HA 0.132 4.499 4.350 0.029 0.000 0.304 516 T C -1.727 172.509 174.700 -0.772 0.000 1.041 516 T CA -1.264 60.386 62.100 -0.750 0.000 1.033 516 T CB 0.214 68.379 68.868 -1.173 0.000 0.995 516 T HN 0.237 nan 8.240 nan 0.000 0.536 517 P HA -0.024 nan 4.420 nan 0.000 0.215 517 P C 1.407 178.496 177.300 -0.351 0.000 1.153 517 P CA 1.027 63.910 63.100 -0.363 0.000 0.853 517 P CB -0.259 31.348 31.700 -0.154 0.000 0.788 518 F N -0.191 119.554 119.950 -0.341 0.000 2.259 518 F HA 0.072 4.616 4.527 0.029 0.000 0.298 518 F C 1.792 177.210 175.800 -0.637 0.000 1.088 518 F CA 0.794 58.520 58.000 -0.457 0.000 1.358 518 F CB -1.540 37.179 39.000 -0.469 0.000 1.040 518 F HN -0.102 nan 8.300 nan 0.000 0.505 519 E N 0.562 120.162 120.200 -1.001 0.000 2.106 519 E HA -0.185 4.183 4.350 0.029 0.000 0.192 519 E C 2.208 178.585 176.600 -0.372 0.000 0.984 519 E CA 1.206 57.243 56.400 -0.605 0.000 0.806 519 E CB -0.256 29.044 29.700 -0.667 0.000 0.750 519 E HN 0.614 nan 8.360 nan 0.000 0.458 520 Q N 0.427 119.923 119.800 -0.508 0.000 2.084 520 Q HA -0.196 4.162 4.340 0.029 0.000 0.202 520 Q C 2.295 178.297 176.000 0.003 0.000 0.978 520 Q CA 1.196 56.724 55.803 -0.457 0.000 0.844 520 Q CB -0.182 28.046 28.738 -0.850 0.000 0.898 520 Q HN 0.140 nan 8.270 nan 0.000 0.426 521 R N 0.170 120.651 120.500 -0.031 0.000 2.091 521 R HA -0.181 4.176 4.340 0.029 0.000 0.238 521 R C 1.783 178.245 176.300 0.269 0.000 1.136 521 R CA 1.724 57.899 56.100 0.124 0.000 0.959 521 R CB -0.186 30.156 30.300 0.070 0.000 0.856 521 R HN 0.492 nan 8.270 nan 0.000 0.437 522 H N -0.513 118.641 119.070 0.139 0.000 2.423 522 H HA -0.053 4.520 4.556 0.029 0.000 0.297 522 H C 2.162 177.598 175.328 0.180 0.000 1.075 522 H CA 1.173 57.318 56.048 0.162 0.000 1.342 522 H CB 0.079 29.942 29.762 0.168 0.000 1.395 522 H HN 0.241 nan 8.280 nan 0.000 0.530 523 I N 0.094 120.871 120.570 0.345 0.000 2.202 523 I HA -0.234 3.953 4.170 0.029 0.000 0.242 523 I C 2.282 178.688 176.117 0.481 0.000 1.091 523 I CA 0.683 62.227 61.300 0.408 0.000 1.368 523 I CB -0.117 38.219 38.000 0.560 0.000 1.058 523 I HN 0.078 nan 8.210 nan 0.000 0.410 524 V N 1.004 121.191 119.914 0.455 0.000 2.287 524 V HA -0.319 3.818 4.120 0.029 0.000 0.248 524 V C 2.064 178.329 176.094 0.286 0.000 1.053 524 V CA 2.105 64.619 62.300 0.357 0.000 1.027 524 V CB -0.682 31.309 31.823 0.280 0.000 0.646 524 V HN 0.416 nan 8.190 nan 0.000 0.447 525 D N 0.425 120.976 120.400 0.252 0.000 2.117 525 D HA -0.103 4.555 4.640 0.029 0.000 0.197 525 D C 2.180 178.553 176.300 0.122 0.000 0.987 525 D CA 1.559 55.673 54.000 0.190 0.000 0.829 525 D CB -0.692 40.224 40.800 0.193 0.000 0.961 525 D HN 0.466 nan 8.370 nan 0.000 0.460 526 G N 0.237 109.088 108.800 0.085 0.000 2.480 526 G HA2 -0.273 3.705 3.960 0.029 0.000 0.216 526 G HA3 -0.273 3.705 3.960 0.029 0.000 0.216 526 G C 1.491 176.385 174.900 -0.011 0.000 1.200 526 G CA 0.400 45.459 45.100 -0.068 0.000 0.782 526 G HN 0.170 nan 8.290 nan 0.000 0.554 527 F N 1.804 121.793 119.950 0.066 0.000 2.069 527 F HA -0.117 4.427 4.527 0.029 0.000 0.298 527 F C 3.237 178.954 175.800 -0.137 0.000 1.113 527 F CA 1.727 59.699 58.000 -0.047 0.000 1.214 527 F CB -0.563 38.416 39.000 -0.036 0.000 0.978 527 F HN 0.092 nan 8.300 nan 0.000 0.474 528 S N 0.055 115.848 115.700 0.154 0.000 2.365 528 S HA -0.264 4.223 4.470 0.029 0.000 0.225 528 S C 1.877 176.499 174.600 0.037 0.000 1.039 528 S CA 1.621 59.860 58.200 0.065 0.000 1.033 528 S CB -0.958 62.303 63.200 0.101 0.000 0.887 528 S HN 0.413 nan 8.310 nan 0.000 0.447 529 F N 2.426 122.332 119.950 -0.073 0.000 2.102 529 F HA -0.115 4.429 4.527 0.028 0.000 0.298 529 F C 2.383 178.115 175.800 -0.113 0.000 1.105 529 F CA 1.528 59.473 58.000 -0.091 0.000 1.239 529 F CB -0.257 38.624 39.000 -0.199 0.000 0.991 529 F HN 0.139 nan 8.300 nan 0.000 0.474 530 E N 0.532 120.717 120.200 -0.024 0.000 2.072 530 E HA -0.198 4.169 4.350 0.029 0.000 0.191 530 E C 2.350 178.760 176.600 -0.317 0.000 0.985 530 E CA 1.562 57.906 56.400 -0.094 0.000 0.801 530 E CB -0.463 29.318 29.700 0.135 0.000 0.750 530 E HN 0.478 nan 8.360 nan 0.000 0.452 531 L N 0.933 121.889 121.223 -0.444 0.000 2.201 531 L HA -0.105 4.252 4.340 0.029 0.000 0.212 531 L C 2.411 179.123 176.870 -0.263 0.000 1.105 531 L CA 0.516 55.081 54.840 -0.459 0.000 0.775 531 L CB -0.174 41.628 42.059 -0.428 0.000 0.913 531 L HN 0.010 nan 8.230 nan 0.000 0.440 532 S N -0.165 115.397 115.700 -0.231 0.000 2.423 532 S HA -0.123 4.364 4.470 0.029 0.000 0.231 532 S C 1.685 176.176 174.600 -0.182 0.000 1.014 532 S CA 1.069 59.160 58.200 -0.183 0.000 0.965 532 S CB -0.073 63.021 63.200 -0.177 0.000 0.785 532 S HN 0.420 nan 8.310 nan 0.000 0.495 533 K N 0.974 121.240 120.400 -0.223 0.000 2.444 533 K HA 0.166 4.503 4.320 0.029 0.000 0.193 533 K C -0.293 176.299 176.600 -0.013 0.000 1.024 533 K CA 0.062 56.273 56.287 -0.126 0.000 1.077 533 K CB 0.326 32.731 32.500 -0.159 0.000 0.833 533 K HN 0.114 nan 8.250 nan 0.000 0.517 534 V N 1.983 121.872 119.914 -0.042 0.000 2.432 534 V HA -0.026 4.111 4.120 0.029 0.000 0.271 534 V C 1.424 177.505 176.094 -0.021 0.000 1.046 534 V CA -0.024 62.278 62.300 0.003 0.000 0.945 534 V CB 1.397 33.190 31.823 -0.050 0.000 0.992 534 V HN -0.024 nan 8.190 nan 0.000 0.471 535 V N 5.218 125.141 119.914 0.015 0.000 2.488 535 V HA -0.021 4.117 4.120 0.029 0.000 0.246 535 V C 1.298 177.382 176.094 -0.016 0.000 1.046 535 V CA 1.165 63.470 62.300 0.010 0.000 1.053 535 V CB -0.448 31.399 31.823 0.040 0.000 0.679 535 V HN 0.758 nan 8.190 nan 0.000 0.458 536 R N 0.979 121.447 120.500 -0.053 0.000 2.242 536 R HA 0.172 4.530 4.340 0.029 0.000 0.334 536 R C -1.713 174.484 176.300 -0.171 0.000 1.071 536 R CA -1.355 54.694 56.100 -0.085 0.000 0.922 536 R CB 0.548 30.747 30.300 -0.169 0.000 1.023 536 R HN 0.229 nan 8.270 nan 0.000 0.458 537 P HA -0.207 nan 4.420 nan 0.000 0.216 537 P C 0.772 178.045 177.300 -0.045 0.000 1.150 537 P CA 1.176 64.255 63.100 -0.035 0.000 0.837 537 P CB -0.012 31.701 31.700 0.023 0.000 0.786 538 Y N -1.140 119.160 120.300 0.000 0.000 2.274 538 Y HA -0.122 4.445 4.550 0.028 0.000 0.290 538 Y C 1.967 177.873 175.900 0.010 0.000 1.145 538 Y CA 0.865 58.966 58.100 0.002 0.000 1.203 538 Y CB -1.778 36.684 38.460 0.003 0.000 0.984 538 Y HN -0.123 nan 8.280 nan 0.000 0.533 539 I N 0.927 121.032 120.570 -0.776 0.000 2.226 539 I HA -0.264 3.924 4.170 0.029 0.000 0.245 539 I C 2.567 178.587 176.117 -0.161 0.000 1.100 539 I CA 1.491 62.540 61.300 -0.419 0.000 1.374 539 I CB -0.403 37.357 38.000 -0.401 0.000 1.057 539 I HN 0.200 nan 8.210 nan 0.000 0.413 540 R N 0.805 121.204 120.500 -0.168 0.000 2.091 540 R HA -0.202 4.155 4.340 0.029 0.000 0.238 540 R C 2.148 178.398 176.300 -0.083 0.000 1.136 540 R CA 1.633 57.652 56.100 -0.135 0.000 0.959 540 R CB -0.470 29.750 30.300 -0.135 0.000 0.856 540 R HN 0.456 nan 8.270 nan 0.000 0.437 541 E N 0.423 120.595 120.200 -0.046 0.000 2.077 541 E HA -0.174 4.193 4.350 0.029 0.000 0.193 541 E C 2.144 178.749 176.600 0.008 0.000 0.989 541 E CA 1.121 57.515 56.400 -0.010 0.000 0.800 541 E CB -0.037 29.681 29.700 0.029 0.000 0.746 541 E HN 0.293 nan 8.360 nan 0.000 0.452 542 R N 0.283 120.801 120.500 0.030 0.000 2.092 542 R HA -0.084 4.273 4.340 0.029 0.000 0.231 542 R C 2.392 178.716 176.300 0.040 0.000 1.119 542 R CA 1.004 57.134 56.100 0.050 0.000 0.970 542 R CB -0.226 30.122 30.300 0.080 0.000 0.864 542 R HN 0.065 nan 8.270 nan 0.000 0.440 543 V N 0.391 120.324 119.914 0.030 0.000 2.358 543 V HA -0.182 3.956 4.120 0.029 0.000 0.246 543 V C 2.301 178.382 176.094 -0.022 0.000 1.047 543 V CA 1.375 63.707 62.300 0.054 0.000 1.035 543 V CB -0.247 31.625 31.823 0.081 0.000 0.658 543 V HN 0.111 nan 8.190 nan 0.000 0.452 544 V N 0.561 120.437 119.914 -0.063 0.000 2.392 544 V HA -0.327 3.810 4.120 0.029 0.000 0.249 544 V C 2.304 178.360 176.094 -0.062 0.000 1.059 544 V CA 2.517 64.757 62.300 -0.099 0.000 1.051 544 V CB -0.656 31.112 31.823 -0.092 0.000 0.658 544 V HN 0.661 nan 8.190 nan 0.000 0.455 545 D N -0.938 119.458 120.400 -0.005 0.000 2.123 545 D HA -0.200 4.458 4.640 0.029 0.000 0.196 545 D C 2.284 178.670 176.300 0.144 0.000 0.992 545 D CA 1.177 55.209 54.000 0.053 0.000 0.833 545 D CB -0.010 40.840 40.800 0.084 0.000 0.954 545 D HN 0.326 nan 8.370 nan 0.000 0.455 546 Q N -0.166 119.687 119.800 0.088 0.000 2.084 546 Q HA -0.098 4.259 4.340 0.029 0.000 0.202 546 Q C 2.582 178.616 176.000 0.055 0.000 0.978 546 Q CA 0.762 56.624 55.803 0.099 0.000 0.844 546 Q CB -0.363 28.443 28.738 0.112 0.000 0.898 546 Q HN 0.461 nan 8.270 nan 0.000 0.426 547 L N 0.105 121.291 121.223 -0.061 0.000 2.131 547 L HA -0.136 4.222 4.340 0.029 0.000 0.210 547 L C 2.362 179.117 176.870 -0.190 0.000 1.092 547 L CA 0.942 55.666 54.840 -0.193 0.000 0.759 547 L CB -0.683 41.152 42.059 -0.373 0.000 0.903 547 L HN 0.090 nan 8.230 nan 0.000 0.435 548 A N -0.651 122.082 122.820 -0.145 0.000 2.067 548 A HA -0.192 4.145 4.320 0.029 0.000 0.219 548 A C 1.783 179.184 177.584 -0.305 0.000 1.158 548 A CA 1.236 53.146 52.037 -0.211 0.000 0.661 548 A CB -0.703 18.174 19.000 -0.205 0.000 0.801 548 A HN 0.445 nan 8.150 nan 0.000 0.452 549 H N -1.126 117.736 119.070 -0.347 0.000 2.548 549 H HA 0.235 4.809 4.556 0.030 0.000 0.268 549 H C 1.592 176.644 175.328 -0.460 0.000 0.975 549 H CA 1.048 56.758 56.048 -0.565 0.000 1.195 549 H CB 0.057 29.072 29.762 -1.245 0.000 1.397 549 H HN 0.501 nan 8.280 nan 0.000 0.572 550 I N -1.134 119.337 120.570 -0.166 0.000 2.681 550 I HA 0.072 4.259 4.170 0.029 0.000 0.247 550 I C -0.092 175.949 176.117 -0.125 0.000 1.091 550 I CA 0.484 61.750 61.300 -0.057 0.000 1.442 550 I CB 0.613 38.601 38.000 -0.021 0.000 1.219 550 I HN 0.105 nan 8.210 nan 0.000 0.451 551 D N -0.540 119.711 120.400 -0.248 0.000 2.931 551 D HA 0.184 4.841 4.640 0.029 0.000 0.215 551 D C 0.246 176.377 176.300 -0.283 0.000 1.297 551 D CA -0.384 53.453 54.000 -0.272 0.000 0.892 551 D CB 1.523 42.038 40.800 -0.475 0.000 1.642 551 D HN -0.019 nan 8.370 nan 0.000 0.560 552 L N 2.626 123.743 121.223 -0.177 0.000 2.083 552 L HA -0.096 4.261 4.340 0.029 0.000 0.209 552 L C 1.430 178.219 176.870 -0.135 0.000 1.083 552 L CA 1.622 56.374 54.840 -0.148 0.000 0.752 552 L CB -0.272 41.732 42.059 -0.093 0.000 0.899 552 L HN 0.593 nan 8.230 nan 0.000 0.433 553 T N 0.446 114.945 114.554 -0.092 0.000 2.746 553 T HA -0.215 4.152 4.350 0.029 0.000 0.267 553 T C 1.741 176.375 174.700 -0.109 0.000 1.039 553 T CA 1.582 63.669 62.100 -0.022 0.000 1.142 553 T CB -0.313 68.633 68.868 0.129 0.000 0.866 553 T HN 0.267 nan 8.240 nan 0.000 0.444 554 L N 1.741 122.735 121.223 -0.383 0.000 1.989 554 L HA 0.035 4.392 4.340 0.029 0.000 0.211 554 L C 2.620 179.262 176.870 -0.381 0.000 1.071 554 L CA 2.167 56.623 54.840 -0.639 0.000 0.749 554 L CB -1.197 40.061 42.059 -1.335 0.000 0.890 554 L HN 0.204 nan 8.230 nan 0.000 0.431 555 A N -0.941 121.669 122.820 -0.350 0.000 1.883 555 A HA -0.294 4.043 4.320 0.029 0.000 0.217 555 A C 2.241 179.725 177.584 -0.167 0.000 1.186 555 A CA 2.120 54.004 52.037 -0.256 0.000 0.624 555 A CB -0.784 18.082 19.000 -0.223 0.000 0.822 555 A HN 0.711 nan 8.150 nan 0.000 0.444 556 Q N -0.924 118.800 119.800 -0.126 0.000 2.084 556 Q HA -0.116 4.241 4.340 0.029 0.000 0.202 556 Q C 2.469 178.440 176.000 -0.048 0.000 0.978 556 Q CA 1.357 57.115 55.803 -0.074 0.000 0.844 556 Q CB -0.380 28.328 28.738 -0.050 0.000 0.898 556 Q HN 0.702 nan 8.270 nan 0.000 0.426 557 A N 0.225 123.023 122.820 -0.038 0.000 1.902 557 A HA -0.145 4.192 4.320 0.029 0.000 0.217 557 A C 2.305 179.889 177.584 -0.001 0.000 1.181 557 A CA 1.420 53.462 52.037 0.007 0.000 0.623 557 A CB -0.673 18.359 19.000 0.053 0.000 0.818 557 A HN 0.216 nan 8.150 nan 0.000 0.443 558 V N -0.199 119.687 119.914 -0.046 0.000 2.307 558 V HA -0.205 3.933 4.120 0.029 0.000 0.245 558 V C 3.066 179.128 176.094 -0.053 0.000 1.045 558 V CA 1.808 64.079 62.300 -0.047 0.000 1.024 558 V CB -1.267 30.479 31.823 -0.129 0.000 0.651 558 V HN 0.615 nan 8.190 nan 0.000 0.449 559 A N -0.093 122.684 122.820 -0.072 0.000 1.883 559 A HA -0.310 4.027 4.320 0.029 0.000 0.217 559 A C 2.359 179.924 177.584 -0.032 0.000 1.186 559 A CA 2.394 54.396 52.037 -0.058 0.000 0.624 559 A CB -0.556 18.407 19.000 -0.062 0.000 0.822 559 A HN 0.517 nan 8.150 nan 0.000 0.444 560 K N -0.574 119.815 120.400 -0.020 0.000 2.097 560 K HA -0.175 4.163 4.320 0.029 0.000 0.206 560 K C 1.382 177.985 176.600 0.006 0.000 1.049 560 K CA 1.506 57.792 56.287 -0.003 0.000 0.933 560 K CB -0.211 32.293 32.500 0.006 0.000 0.717 560 K HN 0.428 nan 8.250 nan 0.000 0.442 561 N N 0.536 119.243 118.700 0.011 0.000 2.396 561 N HA -0.094 4.663 4.740 0.029 0.000 0.180 561 N C 0.950 176.463 175.510 0.004 0.000 1.028 561 N CA 0.662 53.725 53.050 0.023 0.000 0.893 561 N CB 0.122 38.635 38.487 0.043 0.000 0.967 561 N HN 0.155 nan 8.380 nan 0.000 0.440 562 L N -0.392 120.822 121.223 -0.015 0.000 2.607 562 L HA 0.294 4.651 4.340 0.029 0.000 0.228 562 L C 1.160 178.017 176.870 -0.021 0.000 1.123 562 L CA 0.120 54.943 54.840 -0.029 0.000 0.890 562 L CB -0.983 41.044 42.059 -0.053 0.000 1.103 562 L HN 0.177 nan 8.230 nan 0.000 0.468 563 G N 0.829 109.622 108.800 -0.012 0.000 2.221 563 G HA2 -0.287 3.691 3.960 0.029 0.000 0.265 563 G HA3 -0.287 3.691 3.960 0.029 0.000 0.265 563 G C 0.300 175.193 174.900 -0.012 0.000 1.041 563 G CA 0.349 45.445 45.100 -0.008 0.000 0.807 563 G HN 0.340 nan 8.290 nan 0.000 0.502 564 I N -0.257 120.301 120.570 -0.019 0.000 2.562 564 I HA 0.439 4.627 4.170 0.029 0.000 0.301 564 I C 0.219 176.323 176.117 -0.023 0.000 1.003 564 I CA -0.793 60.494 61.300 -0.022 0.000 1.127 564 I CB 1.750 39.731 38.000 -0.032 0.000 1.304 564 I HN -0.012 nan 8.210 nan 0.000 0.446 565 E N 5.069 125.257 120.200 -0.020 0.000 2.133 565 E HA 0.325 4.693 4.350 0.029 0.000 0.274 565 E C -1.085 175.499 176.600 -0.027 0.000 0.930 565 E CA -0.957 55.430 56.400 -0.021 0.000 0.770 565 E CB 1.831 31.522 29.700 -0.015 0.000 1.104 565 E HN 0.255 nan 8.360 nan 0.000 0.403 566 L N 2.993 124.194 121.223 -0.036 0.000 2.456 566 L HA 0.064 4.422 4.340 0.029 0.000 0.272 566 L C 1.327 178.175 176.870 -0.037 0.000 1.189 566 L CA 0.433 55.246 54.840 -0.044 0.000 0.846 566 L CB 0.080 42.104 42.059 -0.059 0.000 1.111 566 L HN 0.618 nan 8.230 nan 0.000 0.475 567 T N -1.336 113.196 114.554 -0.036 0.000 2.788 567 T HA 0.112 4.480 4.350 0.029 0.000 0.287 567 T C 1.228 175.905 174.700 -0.038 0.000 1.007 567 T CA -0.366 61.716 62.100 -0.030 0.000 1.005 567 T CB 0.766 69.619 68.868 -0.025 0.000 1.012 567 T HN 0.660 nan 8.240 nan 0.000 0.530 568 D N 0.858 121.240 120.400 -0.031 0.000 2.126 568 D HA -0.234 4.424 4.640 0.029 0.000 0.190 568 D C 1.253 177.528 176.300 -0.042 0.000 1.001 568 D CA 1.540 55.521 54.000 -0.032 0.000 0.841 568 D CB -0.448 40.338 40.800 -0.023 0.000 0.949 568 D HN 0.576 nan 8.370 nan 0.000 0.446 569 D N 0.929 121.304 120.400 -0.041 0.000 2.117 569 D HA -0.128 4.530 4.640 0.029 0.000 0.197 569 D C 2.360 178.610 176.300 -0.083 0.000 0.987 569 D CA 0.904 54.873 54.000 -0.051 0.000 0.829 569 D CB -0.219 40.559 40.800 -0.037 0.000 0.961 569 D HN 0.429 nan 8.370 nan 0.000 0.460 570 Q N -0.303 119.446 119.800 -0.085 0.000 2.167 570 Q HA -0.092 4.265 4.340 0.029 0.000 0.202 570 Q C 1.985 177.906 176.000 -0.132 0.000 0.970 570 Q CA 0.451 56.179 55.803 -0.126 0.000 0.855 570 Q CB 0.084 28.762 28.738 -0.100 0.000 0.911 570 Q HN 0.152 nan 8.270 nan 0.000 0.438 571 L N 0.960 122.127 121.223 -0.094 0.000 2.275 571 L HA -0.103 4.254 4.340 0.029 0.000 0.215 571 L C 1.114 177.933 176.870 -0.085 0.000 1.119 571 L CA 1.432 56.222 54.840 -0.083 0.000 0.790 571 L CB -0.311 41.713 42.059 -0.058 0.000 0.919 571 L HN 0.224 nan 8.230 nan 0.000 0.443 572 N N -0.741 117.908 118.700 -0.086 0.000 2.235 572 N HA 0.164 4.921 4.740 0.029 0.000 0.209 572 N C 0.342 175.791 175.510 -0.102 0.000 1.122 572 N CA 0.002 53.006 53.050 -0.077 0.000 0.845 572 N CB 0.541 38.995 38.487 -0.057 0.000 1.004 572 N HN 0.242 nan 8.380 nan 0.000 0.499 573 I N 1.738 122.213 120.570 -0.157 0.000 2.598 573 I HA -0.050 4.138 4.170 0.029 0.000 0.284 573 I C 0.409 176.435 176.117 -0.152 0.000 1.140 573 I CA 0.333 61.508 61.300 -0.209 0.000 1.420 573 I CB 0.290 38.042 38.000 -0.414 0.000 1.387 573 I HN -0.146 nan 8.210 nan 0.000 0.553 574 T N 8.153 122.646 114.554 -0.101 0.000 2.853 574 T HA 0.152 4.520 4.350 0.029 0.000 0.298 574 T C -2.026 172.640 174.700 -0.057 0.000 0.978 574 T CA -0.886 61.179 62.100 -0.058 0.000 1.152 574 T CB 0.069 68.923 68.868 -0.024 0.000 0.914 574 T HN 0.374 nan 8.240 nan 0.000 0.539 575 P HA 0.160 nan 4.420 nan 0.000 0.266 575 P C -2.316 175.001 177.300 0.028 0.000 1.193 575 P CA -1.194 61.895 63.100 -0.018 0.000 0.770 575 P CB -0.490 31.209 31.700 -0.001 0.000 0.836 576 P HA 0.216 nan 4.420 nan 0.000 0.272 576 P C -2.437 174.919 177.300 0.093 0.000 1.230 576 P CA -1.373 61.797 63.100 0.117 0.000 0.788 576 P CB -0.981 30.836 31.700 0.195 0.000 0.949 577 P HA 0.131 nan 4.420 nan 0.000 0.272 577 P C -0.195 177.157 177.300 0.087 0.000 1.230 577 P CA 0.092 63.240 63.100 0.081 0.000 0.788 577 P CB 0.446 32.194 31.700 0.079 0.000 0.949 578 D N -0.091 120.353 120.400 0.073 0.000 2.363 578 D HA 0.087 4.744 4.640 0.029 0.000 0.240 578 D C -0.094 176.258 176.300 0.087 0.000 1.236 578 D CA 0.034 54.075 54.000 0.067 0.000 0.927 578 D CB 0.662 41.494 40.800 0.054 0.000 1.150 578 D HN 0.016 nan 8.370 nan 0.000 0.458 579 V N 2.114 122.073 119.914 0.075 0.000 2.353 579 V HA 0.032 4.170 4.120 0.029 0.000 0.264 579 V C 0.137 176.328 176.094 0.161 0.000 1.049 579 V CA -0.372 62.004 62.300 0.128 0.000 0.896 579 V CB -0.230 31.591 31.823 -0.004 0.000 1.025 579 V HN 0.588 nan 8.190 nan 0.000 0.475 580 N N 4.565 123.372 118.700 0.179 0.000 2.714 580 N HA -0.230 4.527 4.740 0.029 0.000 0.252 580 N C 1.181 176.752 175.510 0.102 0.000 1.014 580 N CA 1.032 54.169 53.050 0.145 0.000 0.735 580 N CB -0.896 37.718 38.487 0.212 0.000 0.924 580 N HN 1.270 nan 8.380 nan 0.000 0.540 581 G N -1.943 106.904 108.800 0.079 0.000 2.212 581 G HA2 -0.341 3.637 3.960 0.029 0.000 0.266 581 G HA3 -0.341 3.637 3.960 0.029 0.000 0.266 581 G C 0.151 175.083 174.900 0.052 0.000 0.978 581 G CA 0.402 45.537 45.100 0.057 0.000 0.632 581 G HN 0.420 nan 8.290 nan 0.000 0.537 582 L N 1.077 122.335 121.223 0.059 0.000 2.331 582 L HA 0.377 4.735 4.340 0.029 0.000 0.278 582 L C 1.644 178.531 176.870 0.029 0.000 1.106 582 L CA -0.059 54.806 54.840 0.042 0.000 0.824 582 L CB 1.065 43.149 42.059 0.041 0.000 1.142 582 L HN 0.227 nan 8.230 nan 0.000 0.443 583 K N 4.185 124.596 120.400 0.019 0.000 2.373 583 K HA 0.187 4.525 4.320 0.029 0.000 0.202 583 K C -0.371 176.226 176.600 -0.006 0.000 1.025 583 K CA -0.062 56.233 56.287 0.013 0.000 1.115 583 K CB 0.488 32.996 32.500 0.012 0.000 0.858 583 K HN 0.760 nan 8.250 nan 0.000 0.525 584 K N -0.648 119.745 120.400 -0.012 0.000 3.076 584 K HA 0.182 4.519 4.320 0.029 0.000 0.314 584 K C -2.295 174.292 176.600 -0.021 0.000 1.113 584 K CA -0.773 55.492 56.287 -0.037 0.000 0.860 584 K CB 0.297 32.756 32.500 -0.069 0.000 1.435 584 K HN -0.127 nan 8.250 nan 0.000 0.374 585 D N 1.499 121.881 120.400 -0.031 0.000 2.452 585 D HA 0.299 4.956 4.640 0.029 0.000 0.226 585 D C -2.216 174.073 176.300 -0.018 0.000 1.366 585 D CA -1.810 52.190 54.000 -0.000 0.000 0.986 585 D CB 2.156 42.977 40.800 0.035 0.000 1.420 585 D HN 0.268 nan 8.370 nan 0.000 0.583 586 P HA -0.117 nan 4.420 nan 0.000 0.221 586 P C 1.314 178.612 177.300 -0.003 0.000 1.145 586 P CA 0.921 63.999 63.100 -0.037 0.000 0.795 586 P CB 0.166 31.855 31.700 -0.019 0.000 0.775 587 S N -1.217 114.513 115.700 0.049 0.000 2.547 587 S HA -0.051 4.436 4.470 0.029 0.000 0.235 587 S C 1.652 176.345 174.600 0.154 0.000 0.980 587 S CA 0.717 58.981 58.200 0.108 0.000 0.941 587 S CB -1.384 61.900 63.200 0.139 0.000 0.763 587 S HN 0.136 nan 8.310 nan 0.000 0.532 588 L N 1.160 122.443 121.223 0.100 0.000 2.446 588 L HA 0.225 4.583 4.340 0.029 0.000 0.219 588 L C 1.470 178.271 176.870 -0.115 0.000 1.116 588 L CA 0.117 55.024 54.840 0.112 0.000 0.844 588 L CB -0.229 41.895 42.059 0.108 0.000 0.970 588 L HN 0.337 nan 8.230 nan 0.000 0.457 589 S N -0.384 115.216 115.700 -0.168 0.000 2.586 589 S HA 0.282 4.770 4.470 0.029 0.000 0.274 589 S C 1.089 175.578 174.600 -0.184 0.000 1.281 589 S CA -0.616 57.424 58.200 -0.267 0.000 1.035 589 S CB 1.355 64.390 63.200 -0.275 0.000 0.962 589 S HN 0.168 nan 8.310 nan 0.000 0.512 590 L N 2.948 123.985 121.223 -0.310 0.000 2.109 590 L HA 0.013 4.371 4.340 0.029 0.000 0.207 590 L C 0.907 177.510 176.870 -0.446 0.000 1.086 590 L CA 1.175 55.736 54.840 -0.464 0.000 0.760 590 L CB -0.267 41.226 42.059 -0.943 0.000 0.910 590 L HN 0.783 nan 8.230 nan 0.000 0.437 591 Y N -2.328 117.973 120.300 0.002 0.000 2.453 591 Y HA 0.332 4.900 4.550 0.030 0.000 0.247 591 Y C 2.131 178.058 175.900 0.045 0.000 1.124 591 Y CA -0.115 58.037 58.100 0.087 0.000 1.243 591 Y CB -0.492 38.072 38.460 0.173 0.000 1.213 591 Y HN -0.035 nan 8.280 nan 0.000 0.523 592 A N 0.884 123.737 122.820 0.054 0.000 1.917 592 A HA -0.129 4.208 4.320 0.029 0.000 0.219 592 A C 0.951 178.573 177.584 0.064 0.000 1.182 592 A CA 1.276 53.319 52.037 0.009 0.000 0.633 592 A CB -0.773 18.180 19.000 -0.079 0.000 0.819 592 A HN 0.317 nan 8.150 nan 0.000 0.448 593 I N 0.908 121.521 120.570 0.073 0.000 2.330 593 I HA 0.251 4.438 4.170 0.029 0.000 0.289 593 I C -2.417 173.771 176.117 0.118 0.000 1.001 593 I CA -2.329 59.020 61.300 0.082 0.000 1.193 593 I CB 1.536 39.572 38.000 0.061 0.000 1.345 593 I HN 0.013 nan 8.210 nan 0.000 0.461 594 P HA -0.058 nan 4.420 nan 0.000 0.259 594 P C -0.175 177.199 177.300 0.124 0.000 1.163 594 P CA 0.508 63.695 63.100 0.144 0.000 0.760 594 P CB 0.391 32.159 31.700 0.113 0.000 0.762 595 D N 1.413 121.898 120.400 0.140 0.000 2.640 595 D HA 0.039 4.696 4.640 0.029 0.000 0.282 595 D C 0.422 176.784 176.300 0.102 0.000 1.558 595 D CA -0.294 53.771 54.000 0.108 0.000 0.820 595 D CB -0.349 40.511 40.800 0.100 0.000 1.243 595 D HN 0.349 nan 8.370 nan 0.000 0.456 596 G N 0.427 109.299 108.800 0.120 0.000 2.559 596 G HA2 0.311 4.289 3.960 0.029 0.000 0.235 596 G HA3 0.311 4.289 3.960 0.029 0.000 0.235 596 G C -0.579 174.360 174.900 0.066 0.000 1.266 596 G CA 0.204 45.367 45.100 0.105 0.000 0.847 596 G HN 0.196 nan 8.290 nan 0.000 0.583 597 D N 0.300 120.731 120.400 0.051 0.000 2.855 597 D HA 0.191 4.848 4.640 0.029 0.000 0.241 597 D C 0.891 177.204 176.300 0.021 0.000 1.277 597 D CA -0.515 53.501 54.000 0.027 0.000 0.918 597 D CB 1.796 42.605 40.800 0.015 0.000 1.462 597 D HN 0.325 nan 8.370 nan 0.000 0.559 598 V N 1.833 121.752 119.914 0.009 0.000 3.406 598 V HA 0.258 4.395 4.120 0.029 0.000 0.263 598 V C 0.985 177.060 176.094 -0.032 0.000 1.172 598 V CA 0.176 62.476 62.300 -0.000 0.000 1.140 598 V CB -0.590 31.228 31.823 -0.008 0.000 0.784 598 V HN 0.387 nan 8.190 nan 0.000 0.467 599 K N 1.211 121.586 120.400 -0.043 0.000 2.447 599 K HA 0.399 4.736 4.320 0.029 0.000 0.281 599 K C 1.252 177.813 176.600 -0.066 0.000 1.031 599 K CA 1.014 57.252 56.287 -0.081 0.000 1.019 599 K CB 0.185 32.644 32.500 -0.069 0.000 0.918 599 K HN 0.685 nan 8.250 nan 0.000 0.476 600 G N 3.331 112.061 108.800 -0.117 0.000 2.213 600 G HA2 -0.208 3.769 3.960 0.029 0.000 0.236 600 G HA3 -0.208 3.769 3.960 0.029 0.000 0.236 600 G C 0.080 175.025 174.900 0.074 0.000 0.991 600 G CA -0.306 44.805 45.100 0.018 0.000 0.629 600 G HN 0.557 nan 8.290 nan 0.000 0.517 601 R N -0.076 120.435 120.500 0.018 0.000 2.726 601 R HA 0.644 5.001 4.340 0.029 0.000 0.272 601 R C 0.217 176.570 176.300 0.089 0.000 1.097 601 R CA -0.088 56.055 56.100 0.071 0.000 1.198 601 R CB 0.589 30.925 30.300 0.061 0.000 1.114 601 R HN 0.372 nan 8.270 nan 0.000 0.550 602 V N 0.567 120.555 119.914 0.123 0.000 2.789 602 V HA 0.406 4.543 4.120 0.029 0.000 0.311 602 V C -0.288 175.871 176.094 0.108 0.000 1.073 602 V CA -0.913 61.473 62.300 0.143 0.000 0.921 602 V CB 2.376 34.306 31.823 0.178 0.000 1.009 602 V HN 0.365 nan 8.190 nan 0.000 0.426 603 V N 2.530 122.502 119.914 0.098 0.000 2.555 603 V HA 0.794 4.932 4.120 0.029 0.000 0.302 603 V C 0.361 176.511 176.094 0.094 0.000 1.038 603 V CA -0.607 61.741 62.300 0.080 0.000 0.887 603 V CB 1.948 33.804 31.823 0.054 0.000 0.991 603 V HN 1.054 nan 8.190 nan 0.000 0.434 604 A N 5.839 128.721 122.820 0.104 0.000 2.289 604 A HA 0.788 5.126 4.320 0.029 0.000 0.298 604 A C -0.497 177.101 177.584 0.024 0.000 1.208 604 A CA -0.277 51.814 52.037 0.090 0.000 0.845 604 A CB 0.069 19.173 19.000 0.172 0.000 1.125 604 A HN 0.763 nan 8.150 nan 0.000 0.517 605 I N 3.538 124.116 120.570 0.013 0.000 2.355 605 I HA 0.217 4.404 4.170 0.029 0.000 0.288 605 I C -0.604 175.511 176.117 -0.003 0.000 0.999 605 I CA -0.242 61.063 61.300 0.008 0.000 1.163 605 I CB 1.445 39.464 38.000 0.032 0.000 1.316 605 I HN 0.494 nan 8.210 nan 0.000 0.454 606 L N 7.324 128.521 121.223 -0.043 0.000 2.295 606 L HA 0.429 4.786 4.340 0.029 0.000 0.288 606 L C -0.025 176.914 176.870 0.114 0.000 1.079 606 L CA -0.330 54.517 54.840 0.010 0.000 0.830 606 L CB 0.166 42.069 42.059 -0.260 0.000 1.200 606 L HN 0.445 nan 8.230 nan 0.000 0.438 607 L N 3.500 124.853 121.223 0.217 0.000 2.454 607 L HA 0.397 4.755 4.340 0.029 0.000 0.256 607 L C 0.076 177.103 176.870 0.262 0.000 1.136 607 L CA -0.498 54.427 54.840 0.142 0.000 0.804 607 L CB 1.076 43.136 42.059 0.002 0.000 1.181 607 L HN 0.707 nan 8.230 nan 0.000 0.469 608 N N -2.305 116.448 118.700 0.087 0.000 2.831 608 N HA 0.222 4.980 4.740 0.029 0.000 0.276 608 N C -0.369 175.084 175.510 -0.095 0.000 1.416 608 N CA -0.735 52.414 53.050 0.165 0.000 0.799 608 N CB 0.589 39.183 38.487 0.177 0.000 1.554 608 N HN 0.522 nan 8.380 nan 0.000 0.541 609 D N -1.894 118.502 120.400 -0.007 0.000 2.371 609 D HA -0.013 4.644 4.640 0.029 0.000 0.221 609 D C -0.374 175.882 176.300 -0.072 0.000 0.986 609 D CA 0.908 54.849 54.000 -0.099 0.000 0.899 609 D CB -0.019 40.800 40.800 0.032 0.000 0.902 609 D HN 0.647 nan 8.370 nan 0.000 0.530 610 E N 0.047 120.224 120.200 -0.038 0.000 3.626 610 E HA 0.246 4.613 4.350 0.029 0.000 0.245 610 E C -1.316 175.267 176.600 -0.028 0.000 1.236 610 E CA -0.397 55.982 56.400 -0.034 0.000 1.072 610 E CB 1.076 30.766 29.700 -0.016 0.000 1.309 610 E HN -0.098 nan 8.360 nan 0.000 0.400 611 V N 1.917 121.806 119.914 -0.043 0.000 2.673 611 V HA 0.052 4.189 4.120 0.029 0.000 0.303 611 V C 0.779 176.854 176.094 -0.030 0.000 1.046 611 V CA 0.058 62.339 62.300 -0.032 0.000 1.126 611 V CB 0.626 32.423 31.823 -0.042 0.000 0.934 611 V HN 0.432 nan 8.190 nan 0.000 0.487 612 R N 3.658 124.141 120.500 -0.028 0.000 2.606 612 R HA 0.063 4.421 4.340 0.029 0.000 0.276 612 R C 1.723 178.001 176.300 -0.038 0.000 1.416 612 R CA 0.640 56.720 56.100 -0.034 0.000 1.064 612 R CB -0.566 29.709 30.300 -0.041 0.000 1.117 612 R HN 0.998 nan 8.270 nan 0.000 0.543 613 S N 1.365 117.045 115.700 -0.034 0.000 2.400 613 S HA -0.340 4.147 4.470 0.029 0.000 0.234 613 S C 2.017 176.597 174.600 -0.033 0.000 1.049 613 S CA 1.311 59.492 58.200 -0.031 0.000 1.039 613 S CB -0.257 62.927 63.200 -0.027 0.000 0.856 613 S HN 0.551 nan 8.310 nan 0.000 0.465 614 A N 2.195 124.993 122.820 -0.038 0.000 1.940 614 A HA -0.151 4.187 4.320 0.029 0.000 0.219 614 A C 1.991 179.541 177.584 -0.056 0.000 1.176 614 A CA 1.791 53.803 52.037 -0.042 0.000 0.631 614 A CB -0.851 18.122 19.000 -0.045 0.000 0.814 614 A HN 0.545 nan 8.150 nan 0.000 0.446 615 D N -0.071 120.286 120.400 -0.071 0.000 2.084 615 D HA -0.092 4.565 4.640 0.029 0.000 0.196 615 D C 2.007 178.273 176.300 -0.057 0.000 0.985 615 D CA 0.850 54.790 54.000 -0.099 0.000 0.826 615 D CB -0.457 40.267 40.800 -0.126 0.000 0.978 615 D HN 0.379 nan 8.370 nan 0.000 0.456 616 L N 0.512 121.714 121.223 -0.035 0.000 2.013 616 L HA -0.195 4.162 4.340 0.029 0.000 0.212 616 L C 2.590 179.456 176.870 -0.007 0.000 1.073 616 L CA 0.842 55.674 54.840 -0.013 0.000 0.753 616 L CB -0.351 41.700 42.059 -0.013 0.000 0.890 616 L HN 0.103 nan 8.230 nan 0.000 0.432 617 L N -0.716 120.498 121.223 -0.014 0.000 1.990 617 L HA -0.269 4.089 4.340 0.029 0.000 0.213 617 L C 2.832 179.700 176.870 -0.002 0.000 1.072 617 L CA 1.550 56.386 54.840 -0.008 0.000 0.755 617 L CB -0.664 41.387 42.059 -0.012 0.000 0.889 617 L HN 0.290 nan 8.230 nan 0.000 0.432 618 A N 0.036 122.850 122.820 -0.009 0.000 1.877 618 A HA -0.193 4.144 4.320 0.029 0.000 0.216 618 A C 2.158 179.758 177.584 0.027 0.000 1.186 618 A CA 1.586 53.625 52.037 0.002 0.000 0.620 618 A CB -0.682 18.308 19.000 -0.016 0.000 0.822 618 A HN 0.361 nan 8.150 nan 0.000 0.443 619 I N -0.301 120.287 120.570 0.030 0.000 2.076 619 I HA -0.302 3.886 4.170 0.029 0.000 0.237 619 I C 2.453 178.598 176.117 0.048 0.000 1.059 619 I CA 1.523 62.862 61.300 0.066 0.000 1.317 619 I CB -0.447 37.595 38.000 0.069 0.000 1.037 619 I HN 0.288 nan 8.210 nan 0.000 0.398 620 L N 0.449 121.691 121.223 0.032 0.000 2.083 620 L HA -0.238 4.120 4.340 0.029 0.000 0.209 620 L C 2.641 179.524 176.870 0.022 0.000 1.083 620 L CA 1.416 56.272 54.840 0.028 0.000 0.752 620 L CB -0.608 41.465 42.059 0.023 0.000 0.899 620 L HN 0.278 nan 8.230 nan 0.000 0.433 621 K N 0.514 120.925 120.400 0.018 0.000 2.026 621 K HA -0.195 4.143 4.320 0.029 0.000 0.208 621 K C 2.141 178.749 176.600 0.013 0.000 1.048 621 K CA 1.453 57.748 56.287 0.014 0.000 0.929 621 K CB -0.089 32.418 32.500 0.011 0.000 0.713 621 K HN 0.252 nan 8.250 nan 0.000 0.439 622 A N 1.231 124.063 122.820 0.021 0.000 1.898 622 A HA -0.079 4.259 4.320 0.029 0.000 0.216 622 A C 2.126 179.715 177.584 0.009 0.000 1.181 622 A CA 1.158 53.207 52.037 0.020 0.000 0.620 622 A CB -0.556 18.467 19.000 0.038 0.000 0.819 622 A HN 0.319 nan 8.150 nan 0.000 0.442 623 L N -0.660 120.569 121.223 0.011 0.000 2.017 623 L HA -0.206 4.151 4.340 0.029 0.000 0.208 623 L C 2.626 179.478 176.870 -0.030 0.000 1.073 623 L CA 2.007 56.843 54.840 -0.007 0.000 0.745 623 L CB -0.437 41.626 42.059 0.006 0.000 0.894 623 L HN 0.480 nan 8.230 nan 0.000 0.432 624 K N 0.553 120.945 120.400 -0.014 0.000 2.147 624 K HA -0.156 4.181 4.320 0.029 0.000 0.205 624 K C 2.001 178.586 176.600 -0.025 0.000 1.049 624 K CA 1.267 57.543 56.287 -0.018 0.000 0.936 624 K CB -0.070 32.433 32.500 0.004 0.000 0.722 624 K HN 0.258 nan 8.250 nan 0.000 0.446 625 A N 0.646 123.457 122.820 -0.016 0.000 2.067 625 A HA -0.056 4.282 4.320 0.029 0.000 0.219 625 A C 1.432 179.000 177.584 -0.026 0.000 1.158 625 A CA 1.124 53.152 52.037 -0.016 0.000 0.661 625 A CB -0.081 18.915 19.000 -0.006 0.000 0.801 625 A HN 0.143 nan 8.150 nan 0.000 0.452 626 K N -1.320 119.058 120.400 -0.037 0.000 2.358 626 K HA 0.212 4.549 4.320 0.029 0.000 0.197 626 K C 0.943 177.494 176.600 -0.081 0.000 1.025 626 K CA 0.605 56.864 56.287 -0.046 0.000 1.104 626 K CB 0.112 32.589 32.500 -0.038 0.000 0.855 626 K HN 0.684 nan 8.250 nan 0.000 0.531 627 G N 1.575 110.310 108.800 -0.109 0.000 2.176 627 G HA2 -0.232 3.746 3.960 0.029 0.000 0.252 627 G HA3 -0.232 3.746 3.960 0.029 0.000 0.252 627 G C 0.046 174.734 174.900 -0.353 0.000 1.024 627 G CA 0.235 45.221 45.100 -0.190 0.000 0.755 627 G HN 0.113 nan 8.290 nan 0.000 0.507 628 V N 0.930 120.688 119.914 -0.260 0.000 2.465 628 V HA 0.465 4.602 4.120 0.029 0.000 0.279 628 V C 0.809 176.745 176.094 -0.264 0.000 1.045 628 V CA -0.714 61.435 62.300 -0.252 0.000 0.938 628 V CB 0.986 32.752 31.823 -0.096 0.000 0.986 628 V HN 0.459 nan 8.190 nan 0.000 0.467 629 H N 1.997 121.081 119.070 0.023 0.000 2.508 629 H HA 0.748 5.322 4.556 0.029 0.000 0.358 629 H C 0.226 175.576 175.328 0.037 0.000 1.212 629 H CA 0.105 56.170 56.048 0.027 0.000 1.356 629 H CB 1.158 30.938 29.762 0.030 0.000 1.525 629 H HN 0.838 nan 8.280 nan 0.000 0.578 630 A N 1.204 124.129 122.820 0.176 0.000 2.435 630 A HA 0.543 4.880 4.320 0.029 0.000 0.304 630 A C -1.099 176.544 177.584 0.099 0.000 1.064 630 A CA -1.042 51.062 52.037 0.111 0.000 0.727 630 A CB 1.160 20.207 19.000 0.078 0.000 1.284 630 A HN 0.797 nan 8.150 nan 0.000 0.415 631 K N 2.261 122.713 120.400 0.087 0.000 2.463 631 K HA 0.669 5.007 4.320 0.029 0.000 0.255 631 K C -1.625 175.010 176.600 0.058 0.000 0.942 631 K CA -0.487 55.844 56.287 0.074 0.000 0.814 631 K CB 1.335 33.888 32.500 0.089 0.000 1.122 631 K HN 0.508 nan 8.250 nan 0.000 0.425 632 L N 4.222 125.472 121.223 0.044 0.000 2.278 632 L HA 0.319 4.677 4.340 0.029 0.000 0.287 632 L C -0.695 176.196 176.870 0.036 0.000 1.072 632 L CA -1.023 53.838 54.840 0.034 0.000 0.819 632 L CB 0.366 42.436 42.059 0.018 0.000 1.176 632 L HN 0.484 nan 8.230 nan 0.000 0.435 633 L N 4.296 125.552 121.223 0.055 0.000 2.342 633 L HA 0.607 4.964 4.340 0.029 0.000 0.271 633 L C -0.500 176.389 176.870 0.031 0.000 1.008 633 L CA -0.326 54.534 54.840 0.034 0.000 0.818 633 L CB 1.621 43.733 42.059 0.088 0.000 1.296 633 L HN 0.343 nan 8.230 nan 0.000 0.427 634 Y N -0.601 119.389 120.300 -0.516 0.000 2.896 634 Y HA 0.324 4.891 4.550 0.029 0.000 0.317 634 Y C 0.887 176.078 175.900 -1.181 0.000 1.444 634 Y CA -0.562 57.114 58.100 -0.706 0.000 1.084 634 Y CB 1.446 39.751 38.460 -0.257 0.000 1.382 634 Y HN 0.551 nan 8.280 nan 0.000 0.471 635 S N 0.577 115.359 115.700 -1.531 0.000 2.593 635 S HA 0.274 4.761 4.470 0.029 0.000 0.217 635 S C -0.048 174.230 174.600 -0.536 0.000 0.966 635 S CA 0.182 57.814 58.200 -0.946 0.000 0.914 635 S CB -0.233 62.563 63.200 -0.674 0.000 0.776 635 S HN 0.588 nan 8.310 nan 0.000 0.523 636 R N -1.122 119.135 120.500 -0.405 0.000 2.752 636 R HA 0.630 4.987 4.340 0.029 0.000 0.271 636 R C -0.763 175.515 176.300 -0.038 0.000 1.026 636 R CA -1.111 54.899 56.100 -0.150 0.000 0.901 636 R CB 0.529 30.784 30.300 -0.074 0.000 1.243 636 R HN -0.080 nan 8.270 nan 0.000 0.463 637 M N 0.221 119.808 119.600 -0.022 0.000 2.012 637 M HA 0.486 4.984 4.480 0.029 0.000 0.248 637 M C 1.055 177.371 176.300 0.027 0.000 1.238 637 M CA 1.030 56.331 55.300 0.001 0.000 0.980 637 M CB 0.474 33.069 32.600 -0.009 0.000 1.346 637 M HN 1.051 nan 8.290 nan 0.000 0.511 638 G N 0.701 109.511 108.800 0.017 0.000 2.709 638 G HA2 -0.117 3.861 3.960 0.029 0.000 0.228 638 G HA3 -0.117 3.861 3.960 0.029 0.000 0.228 638 G C -0.869 174.033 174.900 0.003 0.000 1.215 638 G CA 0.063 45.171 45.100 0.014 0.000 1.003 638 G HN 0.918 nan 8.290 nan 0.000 0.584 639 E N -1.207 118.989 120.200 -0.006 0.000 2.412 639 E HA 0.654 5.022 4.350 0.029 0.000 0.279 639 E C -0.573 175.975 176.600 -0.087 0.000 0.984 639 E CA -0.662 55.712 56.400 -0.043 0.000 0.788 639 E CB 2.430 32.110 29.700 -0.033 0.000 1.277 639 E HN 1.656 nan 8.360 nan 0.000 0.455 640 V N -1.926 117.896 119.914 -0.152 0.000 3.046 640 V HA 0.776 4.913 4.120 0.029 0.000 0.316 640 V C -0.526 175.489 176.094 -0.133 0.000 1.104 640 V CA -0.641 61.531 62.300 -0.214 0.000 1.006 640 V CB 1.791 33.354 31.823 -0.434 0.000 1.058 640 V HN 0.758 nan 8.190 nan 0.000 0.440 641 T N 2.296 116.784 114.554 -0.110 0.000 2.792 641 T HA 0.782 5.149 4.350 0.029 0.000 0.280 641 T C 0.200 174.859 174.700 -0.068 0.000 0.990 641 T CA 0.228 62.285 62.100 -0.071 0.000 0.960 641 T CB 1.321 70.160 68.868 -0.048 0.000 0.939 641 T HN 1.351 nan 8.240 nan 0.000 0.439 642 A N 2.377 125.163 122.820 -0.057 0.000 2.327 642 A HA 0.376 4.714 4.320 0.029 0.000 0.255 642 A C 1.613 179.176 177.584 -0.036 0.000 1.099 642 A CA -0.317 51.691 52.037 -0.048 0.000 0.801 642 A CB 0.082 19.057 19.000 -0.042 0.000 1.062 642 A HN 0.928 nan 8.150 nan 0.000 0.496 643 D N 0.473 120.854 120.400 -0.031 0.000 2.149 643 D HA -0.259 4.399 4.640 0.029 0.000 0.194 643 D C 0.807 177.094 176.300 -0.022 0.000 1.001 643 D CA 1.937 55.922 54.000 -0.025 0.000 0.849 643 D CB -0.458 40.328 40.800 -0.023 0.000 0.939 643 D HN 0.650 nan 8.370 nan 0.000 0.449 644 D N -1.335 119.051 120.400 -0.022 0.000 2.340 644 D HA 0.132 4.790 4.640 0.029 0.000 0.220 644 D C 1.692 177.981 176.300 -0.019 0.000 1.039 644 D CA 0.875 54.864 54.000 -0.019 0.000 0.866 644 D CB -0.054 40.735 40.800 -0.019 0.000 0.913 644 D HN 0.491 nan 8.370 nan 0.000 0.523 645 G N -0.251 108.536 108.800 -0.022 0.000 2.179 645 G HA2 -0.230 3.748 3.960 0.029 0.000 0.220 645 G HA3 -0.230 3.748 3.960 0.029 0.000 0.220 645 G C 0.293 175.179 174.900 -0.023 0.000 0.990 645 G CA 0.107 45.194 45.100 -0.021 0.000 0.646 645 G HN 0.400 nan 8.290 nan 0.000 0.517 646 T N 1.653 116.192 114.554 -0.025 0.000 2.817 646 T HA 0.421 4.789 4.350 0.029 0.000 0.295 646 T C 0.681 175.362 174.700 -0.031 0.000 0.958 646 T CA 0.011 62.096 62.100 -0.024 0.000 1.157 646 T CB 2.103 70.957 68.868 -0.023 0.000 0.898 646 T HN 0.411 nan 8.240 nan 0.000 0.536 647 V N 6.114 126.011 119.914 -0.028 0.000 2.455 647 V HA 0.233 4.370 4.120 0.029 0.000 0.273 647 V C 0.264 176.337 176.094 -0.035 0.000 1.045 647 V CA -0.382 61.898 62.300 -0.034 0.000 0.976 647 V CB 0.281 32.089 31.823 -0.026 0.000 0.993 647 V HN 0.675 nan 8.190 nan 0.000 0.475 648 L N 8.402 129.594 121.223 -0.051 0.000 2.280 648 L HA 0.471 4.828 4.340 0.029 0.000 0.287 648 L C -2.386 174.454 176.870 -0.049 0.000 1.023 648 L CA -1.865 52.946 54.840 -0.049 0.000 0.819 648 L CB 1.726 43.746 42.059 -0.065 0.000 1.212 648 L HN 0.412 nan 8.230 nan 0.000 0.420 649 P HA 0.254 nan 4.420 nan 0.000 0.282 649 P C -0.491 176.800 177.300 -0.015 0.000 1.262 649 P CA -0.035 63.054 63.100 -0.019 0.000 0.773 649 P CB 0.814 32.510 31.700 -0.007 0.000 0.879 650 I N 2.316 122.879 120.570 -0.011 0.000 2.365 650 I HA 0.243 4.430 4.170 0.029 0.000 0.291 650 I C 1.526 177.647 176.117 0.005 0.000 1.004 650 I CA -0.339 60.961 61.300 -0.000 0.000 1.311 650 I CB 1.367 39.377 38.000 0.018 0.000 1.401 650 I HN 0.348 nan 8.210 nan 0.000 0.491 651 A N 5.118 127.944 122.820 0.011 0.000 1.935 651 A HA 0.610 4.948 4.320 0.029 0.000 0.214 651 A C 0.969 178.561 177.584 0.014 0.000 1.178 651 A CA 1.158 53.205 52.037 0.016 0.000 0.640 651 A CB 0.043 19.060 19.000 0.029 0.000 0.825 651 A HN 0.828 nan 8.150 nan 0.000 0.447 652 A N -2.059 120.764 122.820 0.005 0.000 2.540 652 A HA 0.578 4.916 4.320 0.029 0.000 0.291 652 A C -0.045 177.502 177.584 -0.062 0.000 1.083 652 A CA 0.111 52.145 52.037 -0.005 0.000 0.650 652 A CB -0.271 18.749 19.000 0.034 0.000 1.292 652 A HN 0.754 nan 8.150 nan 0.000 0.435 653 T N -1.792 112.713 114.554 -0.082 0.000 2.862 653 T HA 0.594 4.961 4.350 0.029 0.000 0.276 653 T C 0.921 175.571 174.700 -0.084 0.000 0.974 653 T CA 0.022 61.990 62.100 -0.221 0.000 0.966 653 T CB 0.169 68.928 68.868 -0.181 0.000 1.072 653 T HN 0.467 nan 8.240 nan 0.000 0.538 654 F N 0.349 120.312 119.950 0.022 0.000 2.134 654 F HA 0.026 4.571 4.527 0.029 0.000 0.299 654 F C 3.004 178.937 175.800 0.221 0.000 1.097 654 F CA 0.798 58.861 58.000 0.106 0.000 1.264 654 F CB -0.613 38.428 39.000 0.068 0.000 1.001 654 F HN 0.688 nan 8.300 nan 0.000 0.479 655 A N 0.427 123.415 122.820 0.279 0.000 1.968 655 A HA 0.022 4.359 4.320 0.029 0.000 0.217 655 A C 2.431 180.090 177.584 0.124 0.000 1.169 655 A CA 1.436 53.579 52.037 0.178 0.000 0.638 655 A CB -1.447 17.612 19.000 0.098 0.000 0.812 655 A HN 0.393 nan 8.150 nan 0.000 0.446 656 G N -0.665 108.193 108.800 0.096 0.000 2.408 656 G HA2 0.227 4.205 3.960 0.029 0.000 0.217 656 G HA3 0.227 4.205 3.960 0.029 0.000 0.217 656 G C 0.705 175.661 174.900 0.092 0.000 1.150 656 G CA 1.043 46.183 45.100 0.066 0.000 0.776 656 G HN 1.132 nan 8.290 nan 0.000 0.542 657 A N 1.048 123.961 122.820 0.155 0.000 3.030 657 A HA 0.667 5.004 4.320 0.029 0.000 0.335 657 A C -2.551 175.199 177.584 0.278 0.000 1.089 657 A CA -1.201 50.942 52.037 0.176 0.000 0.807 657 A CB 1.161 20.261 19.000 0.166 0.000 1.099 657 A HN 0.142 nan 8.150 nan 0.000 0.474 658 P HA -0.004 nan 4.420 nan 0.000 0.269 658 P C 1.286 178.445 177.300 -0.236 0.000 1.217 658 P CA 0.524 63.602 63.100 -0.036 0.000 0.783 658 P CB 0.774 32.431 31.700 -0.072 0.000 0.898 659 S N 1.430 116.598 115.700 -0.886 0.000 2.440 659 S HA -0.172 4.315 4.470 0.029 0.000 0.238 659 S C 1.894 176.345 174.600 -0.249 0.000 1.010 659 S CA 1.047 58.861 58.200 -0.643 0.000 0.972 659 S CB -1.362 61.360 63.200 -0.797 0.000 0.774 659 S HN 0.388 nan 8.310 nan 0.000 0.501 660 L N 1.889 122.978 121.223 -0.223 0.000 2.137 660 L HA -0.128 4.230 4.340 0.029 0.000 0.213 660 L C 3.036 179.743 176.870 -0.272 0.000 1.085 660 L CA 1.716 56.425 54.840 -0.218 0.000 0.760 660 L CB -1.530 40.382 42.059 -0.245 0.000 0.893 660 L HN 0.655 nan 8.230 nan 0.000 0.434 661 T N -3.130 111.331 114.554 -0.155 0.000 3.113 661 T HA 0.154 4.521 4.350 0.029 0.000 0.256 661 T C 0.495 175.279 174.700 0.141 0.000 1.131 661 T CA 0.262 62.353 62.100 -0.014 0.000 1.074 661 T CB -0.410 68.534 68.868 0.127 0.000 0.944 661 T HN 0.171 nan 8.240 nan 0.000 0.516 662 V N -2.270 117.694 119.914 0.083 0.000 3.103 662 V HA 0.565 4.703 4.120 0.029 0.000 0.318 662 V C 0.075 176.214 176.094 0.074 0.000 1.114 662 V CA -0.959 61.414 62.300 0.122 0.000 1.020 662 V CB 2.076 33.987 31.823 0.147 0.000 1.085 662 V HN -0.012 nan 8.190 nan 0.000 0.446 663 D N 0.967 121.415 120.400 0.080 0.000 2.327 663 D HA 0.457 5.115 4.640 0.029 0.000 0.205 663 D C 0.571 176.861 176.300 -0.017 0.000 0.989 663 D CA 1.528 55.552 54.000 0.040 0.000 0.873 663 D CB 1.425 42.270 40.800 0.076 0.000 0.955 663 D HN 0.953 nan 8.370 nan 0.000 0.515 664 A N 0.033 122.857 122.820 0.008 0.000 2.586 664 A HA 0.555 4.892 4.320 0.029 0.000 0.290 664 A C -1.571 176.029 177.584 0.026 0.000 1.086 664 A CA -0.544 51.482 52.037 -0.018 0.000 0.665 664 A CB 1.582 20.558 19.000 -0.040 0.000 1.279 664 A HN -0.111 nan 8.150 nan 0.000 0.423 665 V N 0.907 120.828 119.914 0.012 0.000 2.638 665 V HA 0.580 4.717 4.120 0.029 0.000 0.306 665 V C -0.799 175.297 176.094 0.003 0.000 1.052 665 V CA -0.172 62.149 62.300 0.035 0.000 0.885 665 V CB 1.493 33.356 31.823 0.067 0.000 0.999 665 V HN 0.694 nan 8.190 nan 0.000 0.424 666 I N 4.249 124.829 120.570 0.016 0.000 2.465 666 I HA 0.583 4.771 4.170 0.029 0.000 0.291 666 I C -0.902 175.236 176.117 0.034 0.000 1.014 666 I CA -0.946 60.390 61.300 0.060 0.000 1.093 666 I CB 2.330 40.398 38.000 0.114 0.000 1.267 666 I HN 0.290 nan 8.210 nan 0.000 0.431 667 V N 7.380 127.329 119.914 0.059 0.000 2.349 667 V HA 0.369 4.506 4.120 0.029 0.000 0.284 667 V C -2.215 173.925 176.094 0.077 0.000 1.014 667 V CA -1.627 60.688 62.300 0.025 0.000 0.826 667 V CB 1.324 33.129 31.823 -0.030 0.000 1.009 667 V HN 0.542 nan 8.190 nan 0.000 0.431 668 P HA 0.242 nan 4.420 nan 0.000 0.276 668 P C 0.162 177.472 177.300 0.016 0.000 1.252 668 P CA -0.283 62.820 63.100 0.005 0.000 0.802 668 P CB 1.116 32.812 31.700 -0.007 0.000 1.035 669 C N 0.611 119.898 119.300 -0.021 0.000 2.641 669 C HA 0.731 5.209 4.460 0.029 0.000 0.318 669 C C 1.300 176.292 174.990 0.003 0.000 1.490 669 C CA 1.551 60.566 59.018 -0.004 0.000 2.260 669 C CB -0.716 27.003 27.740 -0.034 0.000 2.103 669 C HN 0.925 nan 8.230 nan 0.000 0.641 670 G N 1.538 110.340 108.800 0.004 0.000 2.233 670 G HA2 0.001 3.978 3.960 0.029 0.000 0.162 670 G HA3 0.001 3.978 3.960 0.029 0.000 0.162 670 G C -0.936 173.972 174.900 0.014 0.000 1.327 670 G CA 0.083 45.185 45.100 0.004 0.000 1.187 670 G HN 0.968 nan 8.290 nan 0.000 0.479 671 N N 1.839 120.553 118.700 0.023 0.000 2.807 671 N HA 0.279 5.036 4.740 0.029 0.000 0.259 671 N C 1.613 177.156 175.510 0.055 0.000 1.149 671 N CA -0.504 52.564 53.050 0.030 0.000 1.042 671 N CB -0.133 38.373 38.487 0.031 0.000 1.367 671 N HN 0.382 nan 8.380 nan 0.000 0.516 672 I N 1.377 121.970 120.570 0.038 0.000 2.361 672 I HA -0.180 4.007 4.170 0.029 0.000 0.251 672 I C 2.047 178.171 176.117 0.012 0.000 1.133 672 I CA 0.680 62.005 61.300 0.042 0.000 1.413 672 I CB -1.508 36.480 38.000 -0.019 0.000 1.073 672 I HN 0.511 nan 8.210 nan 0.000 0.424 673 A N 0.671 123.488 122.820 -0.005 0.000 1.978 673 A HA -0.290 4.047 4.320 0.029 0.000 0.220 673 A C 2.090 179.697 177.584 0.038 0.000 1.170 673 A CA 2.111 54.143 52.037 -0.008 0.000 0.636 673 A CB -0.732 18.264 19.000 -0.008 0.000 0.810 673 A HN 0.429 nan 8.150 nan 0.000 0.448 674 D N 0.502 120.950 120.400 0.080 0.000 2.116 674 D HA -0.179 4.478 4.640 0.029 0.000 0.193 674 D C 1.594 177.989 176.300 0.157 0.000 0.998 674 D CA 1.962 56.040 54.000 0.130 0.000 0.836 674 D CB -0.232 40.680 40.800 0.187 0.000 0.951 674 D HN 0.652 nan 8.370 nan 0.000 0.449 675 I N -3.607 117.080 120.570 0.196 0.000 4.018 675 I HA 0.462 4.650 4.170 0.029 0.000 0.337 675 I C 1.904 178.160 176.117 0.233 0.000 1.327 675 I CA 0.024 61.473 61.300 0.248 0.000 1.100 675 I CB 0.111 38.317 38.000 0.344 0.000 1.025 675 I HN -0.076 nan 8.210 nan 0.000 0.396 676 A N 1.801 124.653 122.820 0.053 0.000 1.978 676 A HA -0.178 4.159 4.320 0.029 0.000 0.220 676 A C 1.675 179.236 177.584 -0.038 0.000 1.170 676 A CA 2.024 53.959 52.037 -0.170 0.000 0.636 676 A CB -0.500 18.338 19.000 -0.270 0.000 0.810 676 A HN 0.555 nan 8.150 nan 0.000 0.448 677 D N -0.552 119.861 120.400 0.021 0.000 2.363 677 D HA 0.008 4.666 4.640 0.029 0.000 0.214 677 D C -0.011 176.330 176.300 0.070 0.000 1.093 677 D CA -0.171 53.849 54.000 0.033 0.000 0.837 677 D CB -0.176 40.634 40.800 0.016 0.000 0.948 677 D HN 0.318 nan 8.370 nan 0.000 0.507 678 N N 1.343 120.109 118.700 0.110 0.000 2.405 678 N HA 0.022 4.779 4.740 0.029 0.000 0.260 678 N C 1.348 176.923 175.510 0.108 0.000 1.152 678 N CA -0.003 53.117 53.050 0.117 0.000 0.948 678 N CB 1.444 40.032 38.487 0.169 0.000 1.111 678 N HN -0.010 nan 8.380 nan 0.000 0.485 679 G N 3.445 112.300 108.800 0.091 0.000 2.440 679 G HA2 -0.273 3.705 3.960 0.029 0.000 0.218 679 G HA3 -0.273 3.705 3.960 0.029 0.000 0.218 679 G C 1.007 175.977 174.900 0.117 0.000 1.154 679 G CA 0.573 45.727 45.100 0.089 0.000 0.767 679 G HN 0.572 nan 8.290 nan 0.000 0.552 680 D N 0.798 121.279 120.400 0.134 0.000 2.117 680 D HA -0.012 4.645 4.640 0.029 0.000 0.197 680 D C 2.801 179.142 176.300 0.068 0.000 0.987 680 D CA 1.253 55.367 54.000 0.192 0.000 0.829 680 D CB -0.413 40.558 40.800 0.285 0.000 0.961 680 D HN 0.308 nan 8.370 nan 0.000 0.460 681 A N 0.778 123.497 122.820 -0.168 0.000 1.898 681 A HA -0.176 4.162 4.320 0.029 0.000 0.216 681 A C 2.020 179.424 177.584 -0.299 0.000 1.181 681 A CA 1.231 52.910 52.037 -0.597 0.000 0.620 681 A CB -0.452 18.185 19.000 -0.604 0.000 0.819 681 A HN 0.155 nan 8.150 nan 0.000 0.442 682 N N -1.468 117.213 118.700 -0.032 0.000 2.084 682 N HA -0.184 4.573 4.740 0.029 0.000 0.190 682 N C 1.694 177.215 175.510 0.018 0.000 1.030 682 N CA 1.780 54.862 53.050 0.052 0.000 0.849 682 N CB -0.459 38.120 38.487 0.153 0.000 1.012 682 N HN 0.684 nan 8.380 nan 0.000 0.423 683 Y N 0.523 120.804 120.300 -0.032 0.000 2.274 683 Y HA -0.260 4.307 4.550 0.029 0.000 0.290 683 Y C 2.381 178.242 175.900 -0.065 0.000 1.145 683 Y CA 1.215 59.290 58.100 -0.041 0.000 1.203 683 Y CB -0.336 38.108 38.460 -0.026 0.000 0.984 683 Y HN 0.031 nan 8.280 nan 0.000 0.533 684 Y N 0.367 120.541 120.300 -0.211 0.000 2.114 684 Y HA -0.333 4.235 4.550 0.029 0.000 0.282 684 Y C 2.113 177.815 175.900 -0.329 0.000 1.165 684 Y CA 2.132 60.073 58.100 -0.264 0.000 1.148 684 Y CB -0.453 37.839 38.460 -0.280 0.000 0.972 684 Y HN 0.113 nan 8.280 nan 0.000 0.504 685 L N -1.164 119.982 121.223 -0.129 0.000 2.056 685 L HA -0.253 4.105 4.340 0.029 0.000 0.207 685 L C 2.367 179.121 176.870 -0.194 0.000 1.078 685 L CA 1.468 56.213 54.840 -0.160 0.000 0.749 685 L CB -0.533 41.398 42.059 -0.214 0.000 0.901 685 L HN 0.309 nan 8.230 nan 0.000 0.433 686 M N -0.612 118.823 119.600 -0.276 0.000 2.175 686 M HA -0.199 4.298 4.480 0.029 0.000 0.264 686 M C 2.223 178.271 176.300 -0.420 0.000 1.063 686 M CA 1.586 56.719 55.300 -0.279 0.000 1.119 686 M CB -0.291 32.153 32.600 -0.260 0.000 1.377 686 M HN 0.195 nan 8.290 nan 0.000 0.415 687 E N 0.591 120.343 120.200 -0.746 0.000 2.047 687 E HA -0.183 4.184 4.350 0.029 0.000 0.191 687 E C 2.024 178.247 176.600 -0.628 0.000 0.987 687 E CA 1.299 57.215 56.400 -0.807 0.000 0.799 687 E CB -0.002 29.174 29.700 -0.874 0.000 0.752 687 E HN 0.462 nan 8.360 nan 0.000 0.449 688 A N 0.367 122.936 122.820 -0.419 0.000 1.908 688 A HA -0.225 4.113 4.320 0.029 0.000 0.218 688 A C 2.056 179.521 177.584 -0.199 0.000 1.181 688 A CA 1.602 53.487 52.037 -0.253 0.000 0.627 688 A CB -0.974 17.935 19.000 -0.151 0.000 0.818 688 A HN 0.573 nan 8.150 nan 0.000 0.445 689 Y N 0.565 120.698 120.300 -0.278 0.000 2.114 689 Y HA -0.235 4.333 4.550 0.029 0.000 0.284 689 Y C 2.418 178.188 175.900 -0.217 0.000 1.143 689 Y CA 2.417 60.387 58.100 -0.217 0.000 1.135 689 Y CB -0.291 38.058 38.460 -0.184 0.000 0.980 689 Y HN 0.329 nan 8.280 nan 0.000 0.499 690 K N -0.562 119.699 120.400 -0.233 0.000 2.103 690 K HA -0.238 4.099 4.320 0.029 0.000 0.207 690 K C 0.972 177.437 176.600 -0.225 0.000 1.048 690 K CA 2.112 58.236 56.287 -0.271 0.000 0.930 690 K CB -0.478 31.817 32.500 -0.342 0.000 0.716 690 K HN 0.596 nan 8.250 nan 0.000 0.444 691 H N 0.538 119.482 119.070 -0.210 0.000 2.592 691 H HA 0.184 4.758 4.556 0.030 0.000 0.291 691 H C -0.059 175.105 175.328 -0.274 0.000 1.052 691 H CA 0.076 55.998 56.048 -0.209 0.000 1.175 691 H CB 0.010 29.648 29.762 -0.206 0.000 1.378 691 H HN 0.136 nan 8.280 nan 0.000 0.576 692 L N -0.188 120.884 121.223 -0.253 0.000 4.232 692 L HA -0.291 4.066 4.340 0.029 0.000 0.415 692 L C -0.303 176.303 176.870 -0.439 0.000 1.168 692 L CA 0.672 55.275 54.840 -0.396 0.000 0.966 692 L CB -1.712 40.103 42.059 -0.406 0.000 2.052 692 L HN 0.347 nan 8.230 nan 0.000 0.887 693 K N 0.929 121.138 120.400 -0.319 0.000 2.174 693 K HA 0.436 4.774 4.320 0.029 0.000 0.275 693 K C -2.111 174.355 176.600 -0.223 0.000 1.015 693 K CA -1.807 54.316 56.287 -0.273 0.000 0.933 693 K CB 0.674 33.066 32.500 -0.179 0.000 1.025 693 K HN -0.203 nan 8.250 nan 0.000 0.463 694 P HA 0.007 nan 4.420 nan 0.000 0.264 694 P C -0.773 176.459 177.300 -0.114 0.000 1.193 694 P CA 0.492 63.490 63.100 -0.169 0.000 0.763 694 P CB 0.377 31.977 31.700 -0.166 0.000 0.810 695 I N 2.060 122.575 120.570 -0.092 0.000 2.498 695 I HA 0.598 4.786 4.170 0.029 0.000 0.290 695 I C -0.293 175.773 176.117 -0.084 0.000 1.032 695 I CA -0.854 60.411 61.300 -0.058 0.000 1.073 695 I CB 2.188 40.182 38.000 -0.011 0.000 1.251 695 I HN 0.259 nan 8.210 nan 0.000 0.426 696 A N 7.732 130.507 122.820 -0.075 0.000 2.330 696 A HA 0.873 5.210 4.320 0.029 0.000 0.313 696 A C -1.066 176.607 177.584 0.148 0.000 1.124 696 A CA -0.441 51.525 52.037 -0.118 0.000 0.774 696 A CB 0.973 19.736 19.000 -0.395 0.000 1.198 696 A HN 0.677 nan 8.150 nan 0.000 0.465 697 L N 2.392 123.762 121.223 0.245 0.000 2.343 697 L HA 0.683 5.041 4.340 0.029 0.000 0.278 697 L C 0.297 177.369 176.870 0.338 0.000 0.996 697 L CA -0.535 54.467 54.840 0.270 0.000 0.831 697 L CB 1.876 44.034 42.059 0.166 0.000 1.232 697 L HN 0.775 nan 8.230 nan 0.000 0.413 698 A N 2.448 125.369 122.820 0.169 0.000 2.292 698 A HA 0.814 5.151 4.320 0.029 0.000 0.319 698 A C 0.760 178.326 177.584 -0.031 0.000 1.206 698 A CA 0.365 52.357 52.037 -0.075 0.000 0.835 698 A CB 1.042 19.802 19.000 -0.399 0.000 1.164 698 A HN 0.986 nan 8.150 nan 0.000 0.505 699 G N 2.207 110.986 108.800 -0.036 0.000 2.629 699 G HA2 -0.353 3.624 3.960 0.029 0.000 0.313 699 G HA3 -0.353 3.624 3.960 0.029 0.000 0.313 699 G C 0.507 175.409 174.900 0.003 0.000 1.217 699 G CA 0.857 45.943 45.100 -0.023 0.000 0.994 699 G HN 0.695 nan 8.290 nan 0.000 0.549 700 D N 1.600 121.999 120.400 -0.002 0.000 2.378 700 D HA 0.267 4.924 4.640 0.029 0.000 0.222 700 D C 2.498 178.808 176.300 0.016 0.000 0.980 700 D CA 1.420 55.416 54.000 -0.007 0.000 0.907 700 D CB -0.582 40.206 40.800 -0.020 0.000 0.899 700 D HN 0.758 nan 8.370 nan 0.000 0.527 701 A N 0.673 123.540 122.820 0.078 0.000 2.067 701 A HA -0.156 4.181 4.320 0.029 0.000 0.219 701 A C 2.036 179.740 177.584 0.200 0.000 1.158 701 A CA 0.687 52.846 52.037 0.204 0.000 0.661 701 A CB -0.364 18.753 19.000 0.196 0.000 0.801 701 A HN 0.122 nan 8.150 nan 0.000 0.452 702 R N -0.463 120.098 120.500 0.101 0.000 2.303 702 R HA -0.111 4.246 4.340 0.029 0.000 0.225 702 R C 1.514 177.827 176.300 0.021 0.000 1.114 702 R CA 1.287 57.430 56.100 0.072 0.000 1.007 702 R CB -0.176 30.153 30.300 0.047 0.000 0.861 702 R HN 0.388 nan 8.270 nan 0.000 0.471 703 K N -0.339 120.030 120.400 -0.051 0.000 2.362 703 K HA -0.076 4.261 4.320 0.029 0.000 0.200 703 K C 1.015 177.499 176.600 -0.193 0.000 1.046 703 K CA 1.009 57.204 56.287 -0.154 0.000 0.952 703 K CB -0.017 32.337 32.500 -0.243 0.000 0.753 703 K HN 0.135 nan 8.250 nan 0.000 0.466 704 F N 0.838 120.764 119.950 -0.040 0.000 2.699 704 F HA -0.027 4.518 4.527 0.029 0.000 0.298 704 F C 1.641 177.393 175.800 -0.079 0.000 1.154 704 F CA 0.579 58.544 58.000 -0.058 0.000 1.457 704 F CB 0.034 38.998 39.000 -0.060 0.000 1.106 704 F HN -0.081 nan 8.300 nan 0.000 0.585 705 K N 0.333 120.776 120.400 0.071 0.000 2.152 705 K HA -0.197 4.141 4.320 0.029 0.000 0.206 705 K C 2.315 178.888 176.600 -0.045 0.000 1.048 705 K CA 1.151 57.434 56.287 -0.007 0.000 0.933 705 K CB -0.307 32.187 32.500 -0.011 0.000 0.721 705 K HN 0.269 nan 8.250 nan 0.000 0.447 706 A N 0.700 123.499 122.820 -0.036 0.000 1.930 706 A HA -0.132 4.205 4.320 0.029 0.000 0.217 706 A C 2.110 179.665 177.584 -0.047 0.000 1.175 706 A CA 1.888 53.897 52.037 -0.047 0.000 0.627 706 A CB -0.786 18.184 19.000 -0.049 0.000 0.815 706 A HN 0.270 nan 8.150 nan 0.000 0.443 707 T N 0.749 115.293 114.554 -0.016 0.000 2.881 707 T HA -0.073 4.294 4.350 0.029 0.000 0.270 707 T C 1.403 176.046 174.700 -0.096 0.000 1.068 707 T CA 1.495 63.587 62.100 -0.014 0.000 1.131 707 T CB -0.490 68.418 68.868 0.067 0.000 0.871 707 T HN 0.734 nan 8.240 nan 0.000 0.479 708 I N -2.714 117.747 120.570 -0.182 0.000 3.914 708 I HA 0.433 4.621 4.170 0.029 0.000 0.333 708 I C -0.360 175.503 176.117 -0.423 0.000 1.449 708 I CA -0.665 60.387 61.300 -0.412 0.000 1.135 708 I CB -0.009 37.590 38.000 -0.669 0.000 1.073 708 I HN -0.225 nan 8.210 nan 0.000 0.401 709 K N 2.575 122.848 120.400 -0.212 0.000 3.540 709 K HA -0.119 4.219 4.320 0.029 0.000 0.274 709 K C -0.406 176.116 176.600 -0.131 0.000 0.890 709 K CA 0.726 56.931 56.287 -0.136 0.000 0.701 709 K CB -1.417 31.030 32.500 -0.089 0.000 1.523 709 K HN 0.614 nan 8.250 nan 0.000 0.450 710 I N 0.770 121.264 120.570 -0.127 0.000 2.385 710 I HA 0.229 4.416 4.170 0.029 0.000 0.294 710 I C 1.173 177.267 176.117 -0.039 0.000 0.988 710 I CA -0.628 60.625 61.300 -0.079 0.000 1.265 710 I CB 1.476 39.428 38.000 -0.079 0.000 1.388 710 I HN 0.310 nan 8.210 nan 0.000 0.480 711 A N 4.356 127.166 122.820 -0.018 0.000 2.448 711 A HA 0.039 4.376 4.320 0.029 0.000 0.239 711 A C 0.983 178.562 177.584 -0.008 0.000 1.080 711 A CA -0.191 51.840 52.037 -0.010 0.000 0.779 711 A CB 0.126 19.125 19.000 -0.002 0.000 1.026 711 A HN 0.819 nan 8.150 nan 0.000 0.499 712 D N 0.213 120.609 120.400 -0.007 0.000 2.133 712 D HA -0.196 4.461 4.640 0.029 0.000 0.195 712 D C 1.911 178.211 176.300 0.000 0.000 0.997 712 D CA 2.157 56.154 54.000 -0.004 0.000 0.840 712 D CB -0.141 40.656 40.800 -0.005 0.000 0.947 712 D HN 0.845 nan 8.370 nan 0.000 0.452 713 Q N 0.228 120.029 119.800 0.002 0.000 2.466 713 Q HA 0.271 4.628 4.340 0.029 0.000 0.210 713 Q C 0.887 176.890 176.000 0.005 0.000 0.961 713 Q CA 0.510 56.316 55.803 0.004 0.000 0.953 713 Q CB 0.118 28.859 28.738 0.004 0.000 1.011 713 Q HN 0.095 nan 8.270 nan 0.000 0.516 714 G N 0.650 109.453 108.800 0.005 0.000 2.760 714 G HA2 -0.282 3.695 3.960 0.029 0.000 0.246 714 G HA3 -0.282 3.695 3.960 0.029 0.000 0.246 714 G C -1.209 173.696 174.900 0.007 0.000 1.359 714 G CA -0.170 44.933 45.100 0.006 0.000 0.861 714 G HN 0.463 nan 8.290 nan 0.000 0.541 715 E N -0.572 119.633 120.200 0.009 0.000 2.335 715 E HA 0.376 4.743 4.350 0.029 0.000 0.280 715 E C -0.546 176.053 176.600 -0.001 0.000 0.918 715 E CA -0.786 55.623 56.400 0.014 0.000 0.765 715 E CB 1.035 30.761 29.700 0.043 0.000 1.218 715 E HN 0.458 nan 8.360 nan 0.000 0.425 716 E N 1.477 121.669 120.200 -0.014 0.000 2.480 716 E HA 0.170 4.538 4.350 0.029 0.000 0.258 716 E C 0.703 177.268 176.600 -0.058 0.000 0.984 716 E CA 1.560 57.937 56.400 -0.038 0.000 0.930 716 E CB 1.111 30.786 29.700 -0.041 0.000 0.936 716 E HN 0.881 nan 8.360 nan 0.000 0.466 717 G N 2.964 111.715 108.800 -0.082 0.000 2.231 717 G HA2 -0.187 3.791 3.960 0.029 0.000 0.206 717 G HA3 -0.187 3.791 3.960 0.029 0.000 0.206 717 G C 0.096 174.946 174.900 -0.082 0.000 0.996 717 G CA -0.427 44.605 45.100 -0.113 0.000 0.645 717 G HN 0.404 nan 8.290 nan 0.000 0.498 718 I N 2.235 122.776 120.570 -0.049 0.000 2.382 718 I HA 0.468 4.655 4.170 0.029 0.000 0.285 718 I C 0.403 176.475 176.117 -0.074 0.000 1.007 718 I CA -1.140 60.137 61.300 -0.038 0.000 1.142 718 I CB 1.375 39.382 38.000 0.012 0.000 1.289 718 I HN -0.100 nan 8.210 nan 0.000 0.453 719 V N 7.332 127.160 119.914 -0.142 0.000 2.461 719 V HA 0.346 4.484 4.120 0.029 0.000 0.275 719 V C 0.248 176.288 176.094 -0.089 0.000 1.047 719 V CA -0.424 61.740 62.300 -0.228 0.000 0.955 719 V CB 1.015 32.514 31.823 -0.539 0.000 0.988 719 V HN 0.855 nan 8.190 nan 0.000 0.471 720 E N 4.161 124.384 120.200 0.038 0.000 2.321 720 E HA 0.863 5.230 4.350 0.029 0.000 0.278 720 E C -0.969 175.768 176.600 0.230 0.000 0.902 720 E CA -0.933 55.576 56.400 0.182 0.000 0.758 720 E CB 2.468 32.227 29.700 0.098 0.000 1.213 720 E HN 0.780 nan 8.360 nan 0.000 0.426 721 A N 2.209 125.195 122.820 0.276 0.000 2.601 721 A HA 0.384 4.721 4.320 0.029 0.000 0.291 721 A C -0.427 177.182 177.584 0.043 0.000 1.075 721 A CA -0.677 51.459 52.037 0.165 0.000 0.671 721 A CB 1.331 20.483 19.000 0.252 0.000 1.277 721 A HN 0.593 nan 8.150 nan 0.000 0.417 722 D N 0.508 120.912 120.400 0.008 0.000 2.144 722 D HA -0.002 4.656 4.640 0.029 0.000 0.199 722 D C 1.178 177.428 176.300 -0.084 0.000 0.984 722 D CA 2.395 56.379 54.000 -0.027 0.000 0.834 722 D CB 0.071 40.860 40.800 -0.018 0.000 0.955 722 D HN 0.763 nan 8.370 nan 0.000 0.465 723 S N -1.810 113.808 115.700 -0.138 0.000 2.685 723 S HA 0.669 5.156 4.470 0.029 0.000 0.282 723 S C -0.140 174.170 174.600 -0.483 0.000 1.159 723 S CA -0.438 57.619 58.200 -0.239 0.000 0.833 723 S CB 1.954 65.063 63.200 -0.152 0.000 1.151 723 S HN -0.040 nan 8.310 nan 0.000 0.485 724 A N 0.920 123.392 122.820 -0.579 0.000 2.579 724 A HA 0.364 4.702 4.320 0.029 0.000 0.273 724 A C 0.428 177.844 177.584 -0.281 0.000 1.363 724 A CA -0.017 51.502 52.037 -0.864 0.000 0.953 724 A CB -1.918 16.691 19.000 -0.652 0.000 1.034 724 A HN 0.924 nan 8.150 nan 0.000 0.536 725 D N -1.044 119.276 120.400 -0.134 0.000 2.151 725 D HA 0.140 4.797 4.640 0.029 0.000 0.235 725 D C 1.453 177.798 176.300 0.075 0.000 1.365 725 D CA 0.474 54.468 54.000 -0.011 0.000 0.925 725 D CB -0.025 40.777 40.800 0.004 0.000 1.316 725 D HN -0.007 nan 8.370 nan 0.000 0.531 726 G N -1.507 107.329 108.800 0.060 0.000 2.422 726 G HA2 -0.283 3.694 3.960 0.029 0.000 0.218 726 G HA3 -0.283 3.694 3.960 0.029 0.000 0.218 726 G C 1.614 176.566 174.900 0.085 0.000 1.146 726 G CA 0.943 46.083 45.100 0.067 0.000 0.769 726 G HN 0.487 nan 8.290 nan 0.000 0.547 727 S N -0.268 115.486 115.700 0.090 0.000 2.368 727 S HA -0.108 4.379 4.470 0.029 0.000 0.224 727 S C 2.059 176.735 174.600 0.126 0.000 1.029 727 S CA 1.347 59.599 58.200 0.087 0.000 0.988 727 S CB -0.415 62.829 63.200 0.074 0.000 0.838 727 S HN 0.373 nan 8.310 nan 0.000 0.462 728 F N 1.887 121.834 119.950 -0.005 0.000 2.095 728 F HA -0.075 4.470 4.527 0.029 0.000 0.298 728 F C 2.091 177.886 175.800 -0.008 0.000 1.104 728 F CA 1.694 59.690 58.000 -0.006 0.000 1.232 728 F CB -0.290 38.707 39.000 -0.004 0.000 0.987 728 F HN 0.202 nan 8.300 nan 0.000 0.475 729 M N 0.220 119.972 119.600 0.255 0.000 2.175 729 M HA -0.162 4.335 4.480 0.029 0.000 0.264 729 M C 1.767 178.074 176.300 0.011 0.000 1.063 729 M CA 1.322 56.691 55.300 0.115 0.000 1.119 729 M CB -1.359 31.329 32.600 0.147 0.000 1.377 729 M HN 0.130 nan 8.290 nan 0.000 0.415 730 D N 0.365 120.775 120.400 0.017 0.000 2.117 730 D HA -0.133 4.524 4.640 0.029 0.000 0.197 730 D C 1.990 178.267 176.300 -0.039 0.000 0.987 730 D CA 1.055 55.051 54.000 -0.006 0.000 0.829 730 D CB -0.141 40.662 40.800 0.005 0.000 0.961 730 D HN 0.471 nan 8.370 nan 0.000 0.460 731 E N 0.314 120.476 120.200 -0.063 0.000 2.051 731 E HA -0.134 4.233 4.350 0.029 0.000 0.192 731 E C 2.099 178.616 176.600 -0.139 0.000 0.991 731 E CA 0.270 56.611 56.400 -0.098 0.000 0.799 731 E CB -0.053 29.569 29.700 -0.131 0.000 0.748 731 E HN 0.155 nan 8.360 nan 0.000 0.449 732 L N 1.052 122.158 121.223 -0.195 0.000 2.056 732 L HA -0.151 4.206 4.340 0.029 0.000 0.207 732 L C 2.115 178.915 176.870 -0.117 0.000 1.078 732 L CA 1.533 56.253 54.840 -0.200 0.000 0.749 732 L CB -0.521 41.379 42.059 -0.264 0.000 0.901 732 L HN 0.222 nan 8.230 nan 0.000 0.433 733 L N -0.465 120.710 121.223 -0.079 0.000 2.201 733 L HA -0.178 4.180 4.340 0.029 0.000 0.212 733 L C 2.422 179.266 176.870 -0.043 0.000 1.105 733 L CA 1.301 56.112 54.840 -0.048 0.000 0.775 733 L CB -0.622 41.420 42.059 -0.028 0.000 0.913 733 L HN 0.252 nan 8.230 nan 0.000 0.440 734 T N 0.031 114.555 114.554 -0.050 0.000 2.777 734 T HA -0.115 4.252 4.350 0.029 0.000 0.266 734 T C 1.951 176.618 174.700 -0.056 0.000 1.040 734 T CA 1.085 63.160 62.100 -0.041 0.000 1.141 734 T CB -0.155 68.689 68.868 -0.040 0.000 0.868 734 T HN 0.185 nan 8.240 nan 0.000 0.444 735 L N 0.363 121.533 121.223 -0.088 0.000 2.046 735 L HA -0.082 4.275 4.340 0.029 0.000 0.208 735 L C 2.713 179.515 176.870 -0.112 0.000 1.077 735 L CA 1.343 56.111 54.840 -0.120 0.000 0.747 735 L CB -0.573 41.395 42.059 -0.152 0.000 0.896 735 L HN 0.301 nan 8.230 nan 0.000 0.432 736 M N -0.605 118.946 119.600 -0.083 0.000 2.159 736 M HA -0.192 4.305 4.480 0.029 0.000 0.263 736 M C 2.458 178.760 176.300 0.003 0.000 1.063 736 M CA 1.817 57.089 55.300 -0.047 0.000 1.110 736 M CB -0.536 32.046 32.600 -0.030 0.000 1.374 736 M HN 0.321 nan 8.290 nan 0.000 0.411 737 A N 0.214 123.038 122.820 0.005 0.000 2.015 737 A HA 0.048 4.386 4.320 0.029 0.000 0.219 737 A C 2.208 179.836 177.584 0.073 0.000 1.163 737 A CA 1.663 53.724 52.037 0.040 0.000 0.646 737 A CB -0.655 18.362 19.000 0.028 0.000 0.806 737 A HN 0.508 nan 8.150 nan 0.000 0.448 738 A N -2.625 120.216 122.820 0.033 0.000 2.251 738 A HA 0.309 4.647 4.320 0.029 0.000 0.209 738 A C 1.014 178.624 177.584 0.043 0.000 1.187 738 A CA 1.436 53.500 52.037 0.046 0.000 0.823 738 A CB -0.431 18.547 19.000 -0.037 0.000 0.846 738 A HN 1.025 nan 8.150 nan 0.000 0.486 739 H N -1.511 117.497 119.070 -0.104 0.000 4.806 739 H HA -0.180 4.394 4.556 0.029 0.000 0.061 739 H C -0.017 175.097 175.328 -0.356 0.000 0.604 739 H CA 2.274 58.246 56.048 -0.126 0.000 0.938 739 H CB -0.660 29.133 29.762 0.051 0.000 0.431 739 H HN 0.449 nan 8.280 nan 0.000 0.803 740 R N -0.095 119.819 120.500 -0.976 0.000 2.837 740 R HA 0.614 4.971 4.340 0.029 0.000 0.271 740 R C -0.620 174.816 176.300 -1.439 0.000 0.993 740 R CA -0.332 54.963 56.100 -1.343 0.000 0.931 740 R CB 1.841 31.066 30.300 -1.793 0.000 1.206 740 R HN 0.096 nan 8.270 nan 0.000 0.474 741 V N 2.546 121.862 119.914 -0.996 0.000 2.222 741 V HA 0.082 4.220 4.120 0.029 0.000 0.253 741 V C 0.781 176.489 176.094 -0.643 0.000 1.210 741 V CA -0.388 61.489 62.300 -0.704 0.000 1.079 741 V CB -0.516 31.044 31.823 -0.439 0.000 1.265 741 V HN 0.724 nan 8.190 nan 0.000 0.494 742 W N 1.660 122.678 121.300 -0.470 0.000 2.350 742 W HA -0.203 4.474 4.660 0.029 0.000 0.289 742 W C 2.530 178.827 176.519 -0.370 0.000 1.215 742 W CA 0.896 57.871 57.345 -0.616 0.000 1.236 742 W CB -0.458 28.244 29.460 -1.263 0.000 1.130 742 W HN 0.653 nan 8.180 nan 0.000 0.541 743 S N 0.685 116.335 115.700 -0.083 0.000 2.507 743 S HA -0.150 4.338 4.470 0.029 0.000 0.235 743 S C 1.701 176.264 174.600 -0.062 0.000 0.988 743 S CA 0.936 59.108 58.200 -0.046 0.000 0.944 743 S CB -0.419 62.755 63.200 -0.044 0.000 0.762 743 S HN 0.418 nan 8.310 nan 0.000 0.526 744 R N 0.690 121.112 120.500 -0.129 0.000 2.275 744 R HA 0.234 4.591 4.340 0.029 0.000 0.199 744 R C 1.777 178.010 176.300 -0.112 0.000 0.989 744 R CA 0.393 56.397 56.100 -0.160 0.000 1.016 744 R CB -0.392 29.706 30.300 -0.337 0.000 0.918 744 R HN 0.470 nan 8.270 nan 0.000 0.473 745 I N 1.897 122.441 120.570 -0.043 0.000 2.113 745 I HA -0.261 3.927 4.170 0.029 0.000 0.242 745 I C -0.790 175.352 176.117 0.042 0.000 1.064 745 I CA 1.532 62.851 61.300 0.032 0.000 1.320 745 I CB -0.915 37.156 38.000 0.117 0.000 1.028 745 I HN 0.170 nan 8.210 nan 0.000 0.406 746 P HA -0.142 nan 4.420 nan 0.000 0.225 746 P C 1.011 178.340 177.300 0.048 0.000 1.148 746 P CA 1.428 64.557 63.100 0.049 0.000 0.779 746 P CB -0.054 31.673 31.700 0.045 0.000 0.780 747 K N -0.535 119.888 120.400 0.039 0.000 2.356 747 K HA 0.139 4.476 4.320 0.029 0.000 0.195 747 K C 1.955 178.618 176.600 0.104 0.000 1.037 747 K CA 0.358 56.691 56.287 0.076 0.000 1.014 747 K CB -0.252 32.316 32.500 0.112 0.000 0.815 747 K HN 0.245 nan 8.250 nan 0.000 0.507 748 I N -1.167 119.432 120.570 0.048 0.000 2.676 748 I HA -0.139 4.049 4.170 0.029 0.000 0.259 748 I C 1.799 177.962 176.117 0.076 0.000 1.194 748 I CA 1.196 62.532 61.300 0.061 0.000 1.473 748 I CB -0.199 37.785 38.000 -0.026 0.000 1.096 748 I HN 0.062 nan 8.210 nan 0.000 0.443 749 D N 2.462 122.905 120.400 0.072 0.000 2.172 749 D HA -0.201 4.457 4.640 0.029 0.000 0.196 749 D C 1.274 177.613 176.300 0.066 0.000 0.999 749 D CA 1.250 55.293 54.000 0.071 0.000 0.856 749 D CB 0.146 40.986 40.800 0.068 0.000 0.934 749 D HN 0.397 nan 8.370 nan 0.000 0.453 750 K N 0.243 120.684 120.400 0.068 0.000 2.500 750 K HA 0.136 4.473 4.320 0.029 0.000 0.206 750 K C 0.351 176.984 176.600 0.056 0.000 1.034 750 K CA -0.329 55.993 56.287 0.057 0.000 1.179 750 K CB 1.134 33.665 32.500 0.051 0.000 0.884 750 K HN 0.209 nan 8.250 nan 0.000 0.493 751 I N 3.481 124.091 120.570 0.067 0.000 2.362 751 I HA 0.224 4.411 4.170 0.029 0.000 0.289 751 I C -2.490 173.659 176.117 0.053 0.000 0.994 751 I CA -2.571 58.763 61.300 0.057 0.000 1.158 751 I CB 2.049 40.101 38.000 0.088 0.000 1.315 751 I HN -0.120 nan 8.210 nan 0.000 0.451 752 P HA 0.369 nan 4.420 nan 0.000 0.260 752 P C -0.811 176.547 177.300 0.097 0.000 1.651 752 P CA 0.007 63.144 63.100 0.063 0.000 1.139 752 P CB 0.328 32.060 31.700 0.053 0.000 1.756 753 A N 0.000 122.878 122.820 0.097 0.000 2.254 753 A HA 0.000 4.337 4.320 0.029 0.000 0.244 753 A CA 0.000 52.134 52.037 0.162 0.000 0.836 753 A CB 0.000 18.998 19.000 -0.003 0.000 0.831 753 A HN 0.000 nan 8.150 nan 0.000 0.486