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 1ggf_1_B DATA FIRST_RESID 27 DATA SEQUENCE DSLAPEDGSH RPAAEPTPPG AQPTAPGSLK APDTRNEKLN SLEDVRKGSE DATA SEQUENCE NYALTTNQGV RIADDQNSLR AGSRGPTLLE DFILREKITH FDHERIPERI DATA SEQUENCE VNARGSAAHG 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 0.000 176.290 176.300 -0.017 0.000 2.045 27 D CA 0.000 53.992 54.000 -0.014 0.000 0.868 27 D CB 0.000 40.793 40.800 -0.011 0.000 0.688 28 S N 1.164 116.848 115.700 -0.027 0.000 2.742 28 S HA 0.164 4.571 4.470 -0.105 0.000 0.159 28 S C 0.367 174.934 174.600 -0.055 0.000 0.676 28 S CA -0.335 57.841 58.200 -0.039 0.000 0.897 28 S CB -0.267 62.914 63.200 -0.032 0.000 1.530 28 S HN 0.386 nan 8.310 nan 0.000 0.465 29 L N 1.456 122.638 121.223 -0.069 0.000 2.354 29 L HA 0.417 4.695 4.340 -0.105 0.000 0.212 29 L C 1.508 178.298 176.870 -0.134 0.000 1.091 29 L CA 0.516 55.309 54.840 -0.078 0.000 0.828 29 L CB -0.273 41.751 42.059 -0.057 0.000 0.973 29 L HN 0.655 nan 8.230 nan 0.000 0.461 30 A N 1.529 124.215 122.820 -0.222 0.000 2.445 30 A HA 0.323 4.580 4.320 -0.105 0.000 0.242 30 A C -2.038 175.368 177.584 -0.297 0.000 1.075 30 A CA -0.908 50.851 52.037 -0.463 0.000 0.777 30 A CB -0.616 17.823 19.000 -0.934 0.000 1.013 30 A HN 0.000 nan 8.150 nan 0.000 0.493 31 P HA 0.111 nan 4.420 nan 0.000 0.271 31 P C 0.081 177.345 177.300 -0.061 0.000 1.216 31 P CA -0.014 63.026 63.100 -0.100 0.000 0.776 31 P CB 0.895 32.573 31.700 -0.037 0.000 0.881 32 E N 1.634 121.817 120.200 -0.029 0.000 2.204 32 E HA -0.198 4.090 4.350 -0.105 0.000 0.195 32 E C 1.387 178.001 176.600 0.023 0.000 0.990 32 E CA 1.473 57.870 56.400 -0.005 0.000 0.821 32 E CB -0.426 29.270 29.700 -0.006 0.000 0.750 32 E HN 0.529 nan 8.360 nan 0.000 0.477 33 D N -1.210 119.208 120.400 0.030 0.000 2.219 33 D HA -0.078 4.499 4.640 -0.105 0.000 0.205 33 D C 1.275 177.621 176.300 0.075 0.000 0.970 33 D CA 1.193 55.219 54.000 0.044 0.000 0.851 33 D CB -0.457 40.365 40.800 0.036 0.000 0.943 33 D HN 0.228 nan 8.370 nan 0.000 0.488 34 G N 0.127 109.006 108.800 0.133 0.000 2.142 34 G HA2 -0.275 3.622 3.960 -0.105 0.000 0.225 34 G HA3 -0.275 3.622 3.960 -0.105 0.000 0.225 34 G C 0.677 175.704 174.900 0.211 0.000 1.015 34 G CA 0.703 45.942 45.100 0.232 0.000 0.716 34 G HN 0.754 nan 8.290 nan 0.000 0.508 35 S N 0.272 116.097 115.700 0.207 0.000 2.710 35 S HA 0.144 4.552 4.470 -0.105 0.000 0.224 35 S C 1.752 176.453 174.600 0.169 0.000 0.948 35 S CA 0.731 59.009 58.200 0.131 0.000 0.949 35 S CB -0.417 62.831 63.200 0.080 0.000 0.778 35 S HN 0.876 nan 8.310 nan 0.000 0.498 36 H N 0.262 119.341 119.070 0.015 0.000 2.465 36 H HA 0.347 4.841 4.556 -0.105 0.000 0.289 36 H C 0.226 175.568 175.328 0.023 0.000 1.022 36 H CA 0.001 56.059 56.048 0.016 0.000 1.340 36 H CB -0.453 29.318 29.762 0.014 0.000 1.437 36 H HN 0.188 nan 8.280 nan 0.000 0.539 37 R N 2.771 123.032 120.500 -0.399 0.000 2.308 37 R HA 0.345 4.622 4.340 -0.105 0.000 0.305 37 R C -2.284 173.959 176.300 -0.095 0.000 1.053 37 R CA -2.249 53.689 56.100 -0.269 0.000 0.957 37 R CB 0.379 30.486 30.300 -0.322 0.000 1.022 37 R HN 0.312 nan 8.270 nan 0.000 0.461 38 P HA 0.273 nan 4.420 nan 0.000 0.278 38 P C -0.921 176.380 177.300 0.002 0.000 1.238 38 P CA -0.697 62.404 63.100 0.001 0.000 0.794 38 P CB 1.030 32.749 31.700 0.032 0.000 0.955 39 A N 2.011 124.838 122.820 0.012 0.000 2.445 39 A HA 0.427 4.684 4.320 -0.105 0.000 0.242 39 A C 0.775 178.374 177.584 0.025 0.000 1.075 39 A CA 0.042 52.088 52.037 0.015 0.000 0.777 39 A CB -0.430 18.581 19.000 0.018 0.000 1.013 39 A HN 0.563 nan 8.150 nan 0.000 0.493 40 A N 2.656 125.490 122.820 0.022 0.000 3.168 40 A HA 0.514 4.771 4.320 -0.105 0.000 0.260 40 A C 0.271 177.875 177.584 0.033 0.000 1.598 40 A CA 0.022 52.077 52.037 0.029 0.000 1.285 40 A CB -0.738 18.276 19.000 0.023 0.000 1.149 40 A HN 0.879 nan 8.150 nan 0.000 0.630 41 E N -0.495 119.727 120.200 0.037 0.000 2.392 41 E HA 0.469 4.756 4.350 -0.105 0.000 0.279 41 E C -3.285 173.341 176.600 0.042 0.000 0.964 41 E CA -2.436 53.987 56.400 0.039 0.000 0.777 41 E CB 0.944 30.663 29.700 0.031 0.000 1.249 41 E HN 0.037 nan 8.360 nan 0.000 0.449 42 P HA 0.055 nan 4.420 nan 0.000 0.262 42 P C -0.612 176.703 177.300 0.026 0.000 1.199 42 P CA 0.396 63.516 63.100 0.034 0.000 0.763 42 P CB 0.413 32.124 31.700 0.019 0.000 0.790 43 T N 1.223 115.789 114.554 0.020 0.000 2.893 43 T HA 0.668 4.955 4.350 -0.105 0.000 0.291 43 T C -2.892 171.788 174.700 -0.033 0.000 1.028 43 T CA -2.771 59.336 62.100 0.011 0.000 0.995 43 T CB 1.723 70.603 68.868 0.020 0.000 1.051 43 T HN 0.031 nan 8.240 nan 0.000 0.470 44 P HA 0.355 nan 4.420 nan 0.000 0.274 44 P C -2.781 174.400 177.300 -0.198 0.000 1.246 44 P CA -1.785 61.172 63.100 -0.239 0.000 0.795 44 P CB -0.993 30.645 31.700 -0.102 0.000 1.006 45 P HA 0.056 nan 4.420 nan 0.000 0.260 45 P C 0.989 178.260 177.300 -0.048 0.000 1.185 45 P CA 1.447 64.467 63.100 -0.132 0.000 0.763 45 P CB -0.473 31.146 31.700 -0.135 0.000 0.776 46 G N 3.087 111.881 108.800 -0.010 0.000 2.143 46 G HA2 -0.296 3.601 3.960 -0.105 0.000 0.249 46 G HA3 -0.296 3.601 3.960 -0.105 0.000 0.249 46 G C 1.037 175.944 174.900 0.011 0.000 0.981 46 G CA 0.308 45.413 45.100 0.009 0.000 0.665 46 G HN 0.648 nan 8.290 nan 0.000 0.528 47 A N -1.161 121.662 122.820 0.005 0.000 1.898 47 A HA 0.420 4.677 4.320 -0.105 0.000 0.214 47 A C 1.417 179.012 177.584 0.019 0.000 1.183 47 A CA 1.830 53.875 52.037 0.012 0.000 0.622 47 A CB 0.020 19.025 19.000 0.009 0.000 0.824 47 A HN 0.523 nan 8.150 nan 0.000 0.444 48 Q N -0.837 118.978 119.800 0.024 0.000 2.458 48 Q HA 0.456 4.733 4.340 -0.105 0.000 0.282 48 Q C -2.888 173.134 176.000 0.035 0.000 1.106 48 Q CA -2.240 53.581 55.803 0.030 0.000 0.814 48 Q CB 0.676 29.436 28.738 0.037 0.000 1.425 48 Q HN 0.095 nan 8.270 nan 0.000 0.437 49 P HA 0.040 nan 4.420 nan 0.000 0.271 49 P C -0.312 177.022 177.300 0.056 0.000 1.216 49 P CA 0.048 63.167 63.100 0.031 0.000 0.776 49 P CB 0.257 31.973 31.700 0.027 0.000 0.881 50 T N -0.300 114.282 114.554 0.048 0.000 2.813 50 T HA 0.635 4.922 4.350 -0.105 0.000 0.297 50 T C 0.003 174.790 174.700 0.144 0.000 1.036 50 T CA -0.514 61.665 62.100 0.131 0.000 1.044 50 T CB 0.757 69.633 68.868 0.013 0.000 0.993 50 T HN 0.579 nan 8.240 nan 0.000 0.535 51 A N 1.456 124.471 122.820 0.324 0.000 2.609 51 A HA 0.752 5.010 4.320 -0.105 0.000 0.291 51 A C -3.124 174.747 177.584 0.478 0.000 1.096 51 A CA -1.982 50.223 52.037 0.281 0.000 0.684 51 A CB 0.576 19.684 19.000 0.180 0.000 1.282 51 A HN 0.637 nan 8.150 nan 0.000 0.412 52 P HA 0.129 nan 4.420 nan 0.000 0.262 52 P C 1.325 178.773 177.300 0.246 0.000 1.182 52 P CA 1.056 64.389 63.100 0.389 0.000 0.761 52 P CB 0.609 32.453 31.700 0.240 0.000 0.795 53 G N 2.917 111.803 108.800 0.144 0.000 2.596 53 G HA2 -0.357 3.540 3.960 -0.105 0.000 0.223 53 G HA3 -0.357 3.540 3.960 -0.105 0.000 0.223 53 G C 1.533 176.446 174.900 0.022 0.000 1.120 53 G CA 1.374 46.477 45.100 0.004 0.000 0.752 53 G HN 0.593 nan 8.290 nan 0.000 0.596 54 S N -0.334 115.390 115.700 0.040 0.000 2.496 54 S HA 0.210 4.617 4.470 -0.105 0.000 0.224 54 S C 2.191 176.812 174.600 0.034 0.000 0.996 54 S CA 0.652 58.863 58.200 0.018 0.000 0.927 54 S CB -0.096 63.108 63.200 0.007 0.000 0.774 54 S HN 0.336 nan 8.310 nan 0.000 0.524 55 L N -0.146 121.114 121.223 0.060 0.000 2.253 55 L HA 0.285 4.562 4.340 -0.105 0.000 0.205 55 L C 2.667 179.570 176.870 0.055 0.000 1.078 55 L CA 0.698 55.572 54.840 0.056 0.000 0.805 55 L CB -0.356 41.744 42.059 0.068 0.000 0.963 55 L HN 0.230 nan 8.230 nan 0.000 0.459 56 K N 1.532 121.976 120.400 0.073 0.000 2.062 56 K HA 0.038 4.296 4.320 -0.105 0.000 0.205 56 K C 0.651 177.281 176.600 0.050 0.000 1.051 56 K CA 1.313 57.643 56.287 0.071 0.000 0.941 56 K CB 0.068 32.627 32.500 0.100 0.000 0.719 56 K HN 0.151 nan 8.250 nan 0.000 0.440 57 A N 0.929 123.770 122.820 0.035 0.000 3.082 57 A HA 0.361 4.618 4.320 -0.105 0.000 0.328 57 A C -2.231 175.358 177.584 0.008 0.000 1.089 57 A CA -1.065 50.989 52.037 0.028 0.000 0.802 57 A CB 0.803 19.825 19.000 0.037 0.000 1.138 57 A HN 0.152 nan 8.150 nan 0.000 0.474 58 P HA -0.085 nan 4.420 nan 0.000 0.223 58 P C 0.050 177.343 177.300 -0.012 0.000 1.151 58 P CA 1.085 64.184 63.100 -0.002 0.000 0.787 58 P CB 0.372 32.075 31.700 0.005 0.000 0.788 59 D N -0.866 119.531 120.400 -0.005 0.000 2.349 59 D HA 0.029 4.606 4.640 -0.105 0.000 0.214 59 D C 0.229 176.517 176.300 -0.020 0.000 1.063 59 D CA 0.472 54.466 54.000 -0.011 0.000 0.847 59 D CB -0.167 40.633 40.800 0.001 0.000 0.933 59 D HN 0.102 nan 8.370 nan 0.000 0.513 60 T N 1.821 116.360 114.554 -0.025 0.000 2.727 60 T HA 0.366 4.653 4.350 -0.105 0.000 0.295 60 T C 0.466 175.123 174.700 -0.072 0.000 0.915 60 T CA -0.042 62.031 62.100 -0.046 0.000 1.066 60 T CB 1.059 69.895 68.868 -0.053 0.000 0.891 60 T HN -0.064 nan 8.240 nan 0.000 0.516 61 R N 2.558 123.010 120.500 -0.080 0.000 2.836 61 R HA 0.663 4.941 4.340 -0.105 0.000 0.269 61 R C -0.765 175.477 176.300 -0.096 0.000 1.010 61 R CA -1.008 55.038 56.100 -0.091 0.000 0.930 61 R CB 1.601 31.855 30.300 -0.076 0.000 1.218 61 R HN 0.780 nan 8.270 nan 0.000 0.473 62 N N -1.554 117.090 118.700 -0.093 0.000 2.927 62 N HA 0.099 4.776 4.740 -0.105 0.000 0.248 62 N C -0.164 175.301 175.510 -0.076 0.000 1.443 62 N CA -0.742 52.265 53.050 -0.073 0.000 0.870 62 N CB 0.612 39.085 38.487 -0.023 0.000 1.444 62 N HN 0.309 nan 8.380 nan 0.000 0.519 63 E N 0.169 120.336 120.200 -0.054 0.000 2.097 63 E HA -0.221 4.066 4.350 -0.105 0.000 0.196 63 E C 1.019 177.551 176.600 -0.114 0.000 1.000 63 E CA 1.531 57.893 56.400 -0.063 0.000 0.804 63 E CB -0.149 29.534 29.700 -0.030 0.000 0.740 63 E HN 0.649 nan 8.360 nan 0.000 0.454 64 K N 1.182 121.485 120.400 -0.162 0.000 2.001 64 K HA -0.038 4.219 4.320 -0.105 0.000 0.208 64 K C 2.270 178.717 176.600 -0.256 0.000 1.048 64 K CA 0.851 56.960 56.287 -0.296 0.000 0.932 64 K CB -0.610 31.571 32.500 -0.531 0.000 0.715 64 K HN 0.059 nan 8.250 nan 0.000 0.437 65 L N 0.929 122.011 121.223 -0.236 0.000 2.042 65 L HA -0.238 4.039 4.340 -0.105 0.000 0.210 65 L C 1.778 178.533 176.870 -0.191 0.000 1.076 65 L CA 1.429 56.100 54.840 -0.281 0.000 0.749 65 L CB -0.552 41.340 42.059 -0.279 0.000 0.893 65 L HN 0.297 nan 8.230 nan 0.000 0.432 66 N N -0.671 117.944 118.700 -0.141 0.000 2.331 66 N HA -0.124 4.553 4.740 -0.105 0.000 0.180 66 N C 2.005 177.457 175.510 -0.096 0.000 1.019 66 N CA 1.449 54.437 53.050 -0.104 0.000 0.881 66 N CB -0.212 38.227 38.487 -0.081 0.000 0.972 66 N HN 0.346 nan 8.380 nan 0.000 0.435 67 S N 0.042 115.675 115.700 -0.112 0.000 2.522 67 S HA 0.104 4.511 4.470 -0.105 0.000 0.227 67 S C 1.764 176.304 174.600 -0.100 0.000 0.986 67 S CA 0.118 58.260 58.200 -0.097 0.000 0.929 67 S CB -0.309 62.831 63.200 -0.100 0.000 0.769 67 S HN 0.198 nan 8.310 nan 0.000 0.529 68 L N 0.746 121.895 121.223 -0.123 0.000 2.478 68 L HA 0.157 4.434 4.340 -0.105 0.000 0.223 68 L C 2.655 179.479 176.870 -0.076 0.000 1.140 68 L CA 0.698 55.473 54.840 -0.107 0.000 0.842 68 L CB -0.407 41.572 42.059 -0.134 0.000 0.953 68 L HN 0.292 nan 8.230 nan 0.000 0.452 69 E N 0.979 121.136 120.200 -0.072 0.000 2.171 69 E HA -0.271 4.016 4.350 -0.105 0.000 0.197 69 E C 1.646 178.226 176.600 -0.034 0.000 0.997 69 E CA 1.588 57.958 56.400 -0.050 0.000 0.810 69 E CB -0.077 29.595 29.700 -0.048 0.000 0.738 69 E HN 0.576 nan 8.360 nan 0.000 0.467 70 D N -0.734 119.644 120.400 -0.036 0.000 2.310 70 D HA -0.124 4.453 4.640 -0.105 0.000 0.212 70 D C 1.567 177.853 176.300 -0.023 0.000 0.965 70 D CA 1.354 55.337 54.000 -0.027 0.000 0.879 70 D CB -0.174 40.608 40.800 -0.030 0.000 0.921 70 D HN 0.317 nan 8.370 nan 0.000 0.510 71 V N -3.394 116.506 119.914 -0.024 0.000 3.605 71 V HA 0.311 4.368 4.120 -0.105 0.000 0.284 71 V C 0.917 177.007 176.094 -0.008 0.000 1.386 71 V CA -0.662 61.629 62.300 -0.015 0.000 1.053 71 V CB -0.453 31.363 31.823 -0.013 0.000 0.857 71 V HN -0.158 nan 8.190 nan 0.000 0.436 72 R N 2.213 122.707 120.500 -0.010 0.000 2.537 72 R HA 0.386 4.663 4.340 -0.105 0.000 0.280 72 R C -0.279 176.025 176.300 0.005 0.000 1.058 72 R CA 0.108 56.210 56.100 0.003 0.000 1.057 72 R CB 0.513 30.814 30.300 0.002 0.000 0.973 72 R HN 0.328 nan 8.270 nan 0.000 0.438 73 K N 1.146 121.553 120.400 0.011 0.000 2.207 73 K HA 0.332 4.589 4.320 -0.105 0.000 0.255 73 K C 0.246 176.861 176.600 0.026 0.000 0.941 73 K CA -0.489 55.794 56.287 -0.006 0.000 0.825 73 K CB 2.399 34.881 32.500 -0.029 0.000 1.119 73 K HN 0.741 nan 8.250 nan 0.000 0.430 74 G N 0.016 108.845 108.800 0.050 0.000 2.531 74 G HA2 0.295 4.192 3.960 -0.105 0.000 0.253 74 G HA3 0.295 4.192 3.960 -0.105 0.000 0.253 74 G C 0.523 175.512 174.900 0.148 0.000 1.439 74 G CA 0.304 45.488 45.100 0.139 0.000 1.056 74 G HN 0.633 nan 8.290 nan 0.000 0.555 75 S N -2.578 113.290 115.700 0.280 0.000 2.707 75 S HA 0.068 4.475 4.470 -0.105 0.000 0.224 75 S C 0.151 174.928 174.600 0.297 0.000 0.931 75 S CA -0.122 58.246 58.200 0.279 0.000 1.243 75 S CB -0.038 63.243 63.200 0.136 0.000 0.949 75 S HN 0.501 nan 8.310 nan 0.000 0.384 76 E N 3.209 123.508 120.200 0.166 0.000 2.465 76 E HA 0.301 4.588 4.350 -0.105 0.000 0.260 76 E C -0.175 176.391 176.600 -0.057 0.000 0.980 76 E CA 0.396 56.832 56.400 0.060 0.000 0.927 76 E CB -0.006 29.714 29.700 0.033 0.000 0.934 76 E HN 0.390 nan 8.360 nan 0.000 0.459 77 N N 0.587 119.245 118.700 -0.069 0.000 2.878 77 N HA -0.206 4.471 4.740 -0.105 0.000 0.247 77 N C -1.178 174.178 175.510 -0.256 0.000 1.021 77 N CA 1.061 54.010 53.050 -0.168 0.000 0.873 77 N CB -1.337 37.005 38.487 -0.241 0.000 1.128 77 N HN 0.386 nan 8.380 nan 0.000 0.571 78 Y N 0.662 120.970 120.300 0.013 0.000 2.419 78 Y HA 0.632 5.119 4.550 -0.104 0.000 0.328 78 Y C 0.954 176.859 175.900 0.009 0.000 1.162 78 Y CA -0.503 57.603 58.100 0.011 0.000 1.174 78 Y CB 1.019 39.486 38.460 0.011 0.000 1.228 78 Y HN 0.122 nan 8.280 nan 0.000 0.473 79 A N 2.585 125.531 122.820 0.211 0.000 2.425 79 A HA 0.387 4.644 4.320 -0.105 0.000 0.249 79 A C -0.728 176.913 177.584 0.095 0.000 1.084 79 A CA -0.511 51.595 52.037 0.114 0.000 0.781 79 A CB 0.019 19.073 19.000 0.089 0.000 1.019 79 A HN 0.701 nan 8.150 nan 0.000 0.490 80 L N 3.106 124.364 121.223 0.058 0.000 2.410 80 L HA 0.507 4.784 4.340 -0.105 0.000 0.273 80 L C 0.569 177.453 176.870 0.023 0.000 1.144 80 L CA 1.158 56.018 54.840 0.033 0.000 0.863 80 L CB 0.294 42.364 42.059 0.018 0.000 1.140 80 L HN 0.881 nan 8.230 nan 0.000 0.463 81 T N 0.418 114.979 114.554 0.012 0.000 2.883 81 T HA 0.626 4.913 4.350 -0.105 0.000 0.296 81 T C 0.198 174.906 174.700 0.012 0.000 1.117 81 T CA -0.226 61.884 62.100 0.017 0.000 1.006 81 T CB 1.019 69.897 68.868 0.017 0.000 1.191 81 T HN 0.817 nan 8.240 nan 0.000 0.508 82 T N 0.427 115.004 114.554 0.038 0.000 2.667 82 T HA 0.161 4.448 4.350 -0.105 0.000 0.305 82 T C 1.114 175.831 174.700 0.029 0.000 1.022 82 T CA -0.364 61.765 62.100 0.049 0.000 0.995 82 T CB -0.105 68.835 68.868 0.121 0.000 1.026 82 T HN 0.573 nan 8.240 nan 0.000 0.527 83 N N 0.535 119.254 118.700 0.031 0.000 2.453 83 N HA -0.069 4.608 4.740 -0.105 0.000 0.183 83 N C 1.571 177.095 175.510 0.023 0.000 1.041 83 N CA 0.557 53.617 53.050 0.017 0.000 0.900 83 N CB -0.158 38.346 38.487 0.029 0.000 0.961 83 N HN 0.536 nan 8.380 nan 0.000 0.443 84 Q N -0.570 119.254 119.800 0.039 0.000 2.360 84 Q HA 0.193 4.470 4.340 -0.105 0.000 0.202 84 Q C 1.014 177.028 176.000 0.023 0.000 0.915 84 Q CA 0.202 56.022 55.803 0.028 0.000 0.943 84 Q CB 0.266 29.021 28.738 0.029 0.000 1.064 84 Q HN 0.404 nan 8.270 nan 0.000 0.511 85 G N 0.100 108.915 108.800 0.025 0.000 2.157 85 G HA2 -0.234 3.663 3.960 -0.105 0.000 0.239 85 G HA3 -0.234 3.663 3.960 -0.105 0.000 0.239 85 G C 0.076 174.999 174.900 0.038 0.000 0.982 85 G CA 0.156 45.268 45.100 0.020 0.000 0.650 85 G HN 0.218 nan 8.290 nan 0.000 0.527 86 V N 1.564 121.516 119.914 0.063 0.000 2.498 86 V HA 0.397 4.454 4.120 -0.105 0.000 0.279 86 V C 1.240 177.376 176.094 0.071 0.000 1.048 86 V CA -0.523 61.826 62.300 0.082 0.000 0.967 86 V CB 1.180 33.089 31.823 0.143 0.000 0.988 86 V HN 0.398 nan 8.190 nan 0.000 0.473 87 R N 4.591 125.126 120.500 0.057 0.000 2.491 87 R HA 0.404 4.682 4.340 -0.105 0.000 0.283 87 R C -0.519 175.799 176.300 0.031 0.000 1.072 87 R CA -0.133 55.992 56.100 0.042 0.000 1.048 87 R CB 0.529 30.852 30.300 0.039 0.000 0.983 87 R HN 0.581 nan 8.270 nan 0.000 0.450 88 I N 2.455 123.033 120.570 0.012 0.000 2.342 88 I HA 0.114 4.221 4.170 -0.105 0.000 0.291 88 I C 1.054 177.163 176.117 -0.012 0.000 1.010 88 I CA -0.083 61.209 61.300 -0.014 0.000 1.308 88 I CB 1.737 39.720 38.000 -0.028 0.000 1.400 88 I HN 0.786 nan 8.210 nan 0.000 0.488 89 A N 4.405 127.213 122.820 -0.019 0.000 1.903 89 A HA -0.020 4.237 4.320 -0.105 0.000 0.213 89 A C 0.700 178.271 177.584 -0.022 0.000 1.185 89 A CA 1.003 53.031 52.037 -0.014 0.000 0.628 89 A CB 0.023 19.017 19.000 -0.011 0.000 0.830 89 A HN 0.709 nan 8.150 nan 0.000 0.446 90 D N -0.748 119.631 120.400 -0.035 0.000 2.505 90 D HA 0.350 4.928 4.640 -0.105 0.000 0.250 90 D C -1.426 174.845 176.300 -0.049 0.000 1.164 90 D CA -0.394 53.583 54.000 -0.038 0.000 0.870 90 D CB 1.352 42.129 40.800 -0.038 0.000 1.160 90 D HN 0.036 nan 8.370 nan 0.000 0.549 91 D N 2.240 122.615 120.400 -0.042 0.000 2.427 91 D HA 0.072 4.650 4.640 -0.105 0.000 0.224 91 D C 0.604 176.876 176.300 -0.048 0.000 1.157 91 D CA 0.206 54.177 54.000 -0.048 0.000 0.828 91 D CB 0.533 41.309 40.800 -0.039 0.000 0.974 91 D HN 0.240 nan 8.370 nan 0.000 0.498 92 Q N -0.692 119.081 119.800 -0.045 0.000 2.353 92 Q HA 0.246 4.523 4.340 -0.105 0.000 0.240 92 Q C -0.117 175.856 176.000 -0.046 0.000 0.868 92 Q CA 0.321 56.098 55.803 -0.043 0.000 0.944 92 Q CB 0.641 29.358 28.738 -0.035 0.000 1.104 92 Q HN 0.183 nan 8.270 nan 0.000 0.531 93 N N 0.303 118.973 118.700 -0.049 0.000 2.225 93 N HA 0.302 4.979 4.740 -0.105 0.000 0.298 93 N C -0.907 174.569 175.510 -0.056 0.000 1.076 93 N CA -0.216 52.806 53.050 -0.048 0.000 0.792 93 N CB 2.114 40.577 38.487 -0.040 0.000 1.498 93 N HN -0.165 nan 8.380 nan 0.000 0.474 94 S N 0.789 116.458 115.700 -0.051 0.000 2.593 94 S HA 0.229 4.636 4.470 -0.105 0.000 0.269 94 S C 0.148 174.719 174.600 -0.047 0.000 1.334 94 S CA -0.494 57.674 58.200 -0.053 0.000 1.015 94 S CB 0.528 63.704 63.200 -0.041 0.000 0.912 94 S HN 0.386 nan 8.310 nan 0.000 0.541 95 L N 3.856 125.049 121.223 -0.050 0.000 2.290 95 L HA 0.487 4.765 4.340 -0.105 0.000 0.284 95 L C 0.028 176.885 176.870 -0.021 0.000 1.078 95 L CA 0.295 55.113 54.840 -0.037 0.000 0.815 95 L CB 0.093 42.128 42.059 -0.041 0.000 1.162 95 L HN 0.715 nan 8.230 nan 0.000 0.435 96 R N 4.137 124.628 120.500 -0.015 0.000 2.836 96 R HA 0.847 5.124 4.340 -0.105 0.000 0.269 96 R C -1.116 175.182 176.300 -0.004 0.000 1.010 96 R CA -0.833 55.261 56.100 -0.009 0.000 0.930 96 R CB 1.121 31.415 30.300 -0.011 0.000 1.218 96 R HN 0.598 nan 8.270 nan 0.000 0.473 97 A N 1.204 124.023 122.820 -0.001 0.000 2.671 97 A HA 0.560 4.817 4.320 -0.105 0.000 0.306 97 A C 0.620 178.203 177.584 -0.001 0.000 1.473 97 A CA 0.381 52.418 52.037 0.001 0.000 1.155 97 A CB -1.041 17.961 19.000 0.003 0.000 1.123 97 A HN 1.211 nan 8.150 nan 0.000 0.545 98 G N 1.094 109.893 108.800 -0.003 0.000 2.705 98 G HA2 0.030 3.927 3.960 -0.105 0.000 0.686 98 G HA3 0.030 3.927 3.960 -0.105 0.000 0.686 98 G C 0.630 175.526 174.900 -0.006 0.000 1.285 98 G CA 0.081 45.179 45.100 -0.004 0.000 0.800 98 G HN 1.822 nan 8.290 nan 0.000 0.611 99 S N -0.151 115.545 115.700 -0.007 0.000 2.555 99 S HA 0.048 4.455 4.470 -0.105 0.000 0.230 99 S C 1.534 176.129 174.600 -0.009 0.000 0.978 99 S CA 1.331 59.525 58.200 -0.009 0.000 0.934 99 S CB 0.146 63.340 63.200 -0.010 0.000 0.766 99 S HN 0.723 nan 8.310 nan 0.000 0.533 100 R N 0.459 120.954 120.500 -0.007 0.000 2.577 100 R HA 0.319 4.596 4.340 -0.105 0.000 0.344 100 R C 0.897 177.193 176.300 -0.006 0.000 1.037 100 R CA 0.046 56.141 56.100 -0.007 0.000 1.102 100 R CB 0.787 31.083 30.300 -0.006 0.000 1.313 100 R HN 0.469 nan 8.270 nan 0.000 0.561 101 G N 1.363 110.160 108.800 -0.006 0.000 2.568 101 G HA2 0.354 4.251 3.960 -0.105 0.000 0.293 101 G HA3 0.354 4.251 3.960 -0.105 0.000 0.293 101 G C -2.393 172.504 174.900 -0.004 0.000 1.347 101 G CA -0.971 44.127 45.100 -0.004 0.000 1.039 101 G HN -0.085 nan 8.290 nan 0.000 0.523 102 P HA 0.193 nan 4.420 nan 0.000 0.271 102 P C -0.206 177.093 177.300 -0.002 0.000 1.218 102 P CA -0.010 63.089 63.100 -0.001 0.000 0.780 102 P CB 0.689 32.390 31.700 0.002 0.000 0.901 103 T N 3.101 117.653 114.554 -0.003 0.000 2.870 103 T HA 0.221 4.509 4.350 -0.105 0.000 0.300 103 T C 0.539 175.241 174.700 0.003 0.000 0.989 103 T CA -0.114 61.983 62.100 -0.004 0.000 1.139 103 T CB -0.063 68.801 68.868 -0.006 0.000 0.920 103 T HN 0.192 nan 8.240 nan 0.000 0.537 104 L N 4.005 125.230 121.223 0.004 0.000 2.326 104 L HA 0.260 4.537 4.340 -0.105 0.000 0.278 104 L C 1.559 178.442 176.870 0.022 0.000 1.092 104 L CA -0.756 54.093 54.840 0.014 0.000 0.810 104 L CB 0.780 42.848 42.059 0.015 0.000 1.153 104 L HN 0.533 nan 8.230 nan 0.000 0.439 105 L N 2.935 124.175 121.223 0.028 0.000 2.129 105 L HA -0.235 4.043 4.340 -0.105 0.000 0.212 105 L C 2.348 179.252 176.870 0.057 0.000 1.087 105 L CA 1.877 56.740 54.840 0.038 0.000 0.757 105 L CB -0.568 41.512 42.059 0.036 0.000 0.896 105 L HN 0.808 nan 8.230 nan 0.000 0.434 106 E N -1.423 118.816 120.200 0.064 0.000 2.515 106 E HA -0.181 4.107 4.350 -0.105 0.000 0.201 106 E C 0.222 176.905 176.600 0.139 0.000 1.071 106 E CA 0.316 56.780 56.400 0.106 0.000 0.880 106 E CB -0.613 29.143 29.700 0.094 0.000 0.828 106 E HN 0.411 nan 8.360 nan 0.000 0.540 107 D N 1.097 121.534 120.400 0.063 0.000 2.416 107 D HA -0.037 4.540 4.640 -0.105 0.000 0.240 107 D C 0.376 176.673 176.300 -0.004 0.000 1.250 107 D CA -0.500 53.486 54.000 -0.024 0.000 0.967 107 D CB -0.034 40.731 40.800 -0.058 0.000 1.059 107 D HN 0.302 nan 8.370 nan 0.000 0.512 108 F N 2.386 122.342 119.950 0.010 0.000 2.456 108 F HA 0.097 4.560 4.527 -0.105 0.000 0.298 108 F C 1.614 177.422 175.800 0.014 0.000 1.104 108 F CA 0.054 58.062 58.000 0.013 0.000 1.435 108 F CB -0.588 38.419 39.000 0.011 0.000 1.078 108 F HN 0.183 nan 8.300 nan 0.000 0.546 109 I N 0.528 120.734 120.570 -0.606 0.000 2.193 109 I HA -0.198 3.909 4.170 -0.105 0.000 0.240 109 I C 2.516 178.544 176.117 -0.148 0.000 1.084 109 I CA 1.171 62.244 61.300 -0.378 0.000 1.365 109 I CB -0.639 37.071 38.000 -0.483 0.000 1.064 109 I HN 0.277 nan 8.210 nan 0.000 0.410 110 L N 1.306 122.446 121.223 -0.138 0.000 1.990 110 L HA -0.229 4.048 4.340 -0.105 0.000 0.213 110 L C 2.697 179.561 176.870 -0.009 0.000 1.072 110 L CA 1.901 56.701 54.840 -0.065 0.000 0.755 110 L CB -0.566 41.457 42.059 -0.060 0.000 0.889 110 L HN 0.059 nan 8.230 nan 0.000 0.432 111 R N -0.583 119.926 120.500 0.016 0.000 2.096 111 R HA -0.201 4.076 4.340 -0.105 0.000 0.235 111 R C 2.318 178.669 176.300 0.085 0.000 1.127 111 R CA 1.640 57.776 56.100 0.061 0.000 0.968 111 R CB -0.428 29.919 30.300 0.078 0.000 0.861 111 R HN 0.630 nan 8.270 nan 0.000 0.440 112 E N 1.226 121.479 120.200 0.089 0.000 2.051 112 E HA -0.242 4.045 4.350 -0.105 0.000 0.192 112 E C 1.958 178.626 176.600 0.114 0.000 0.991 112 E CA 1.284 57.748 56.400 0.107 0.000 0.799 112 E CB 0.077 29.846 29.700 0.115 0.000 0.748 112 E HN 0.151 nan 8.360 nan 0.000 0.449 113 K N 0.200 120.643 120.400 0.071 0.000 2.026 113 K HA -0.151 4.107 4.320 -0.105 0.000 0.208 113 K C 2.128 178.805 176.600 0.129 0.000 1.048 113 K CA 1.448 57.778 56.287 0.071 0.000 0.929 113 K CB -0.033 32.470 32.500 0.004 0.000 0.713 113 K HN 0.162 nan 8.250 nan 0.000 0.439 114 I N 1.242 121.875 120.570 0.105 0.000 2.286 114 I HA -0.180 3.927 4.170 -0.105 0.000 0.245 114 I C 2.176 178.440 176.117 0.244 0.000 1.104 114 I CA 1.297 62.686 61.300 0.149 0.000 1.397 114 I CB -1.522 36.528 38.000 0.084 0.000 1.072 114 I HN 0.235 nan 8.210 nan 0.000 0.417 115 T N 0.001 114.674 114.554 0.198 0.000 2.635 115 T HA -0.256 4.032 4.350 -0.105 0.000 0.267 115 T C 1.974 176.828 174.700 0.256 0.000 1.040 115 T CA 1.727 63.958 62.100 0.218 0.000 1.156 115 T CB -0.515 68.429 68.868 0.127 0.000 0.863 115 T HN 0.346 nan 8.240 nan 0.000 0.430 116 H N -0.051 119.105 119.070 0.144 0.000 2.353 116 H HA -0.078 4.416 4.556 -0.104 0.000 0.300 116 H C 2.216 177.642 175.328 0.162 0.000 1.090 116 H CA 1.667 57.785 56.048 0.118 0.000 1.327 116 H CB -0.492 29.317 29.762 0.079 0.000 1.383 116 H HN 0.394 nan 8.280 nan 0.000 0.508 117 F N 2.167 122.233 119.950 0.194 0.000 2.095 117 F HA -0.216 4.250 4.527 -0.102 0.000 0.298 117 F C 2.056 177.884 175.800 0.046 0.000 1.104 117 F CA 1.848 59.912 58.000 0.106 0.000 1.232 117 F CB -0.389 38.651 39.000 0.068 0.000 0.987 117 F HN 0.081 nan 8.300 nan 0.000 0.475 118 D N -0.978 119.511 120.400 0.149 0.000 2.228 118 D HA -0.196 4.381 4.640 -0.105 0.000 0.203 118 D C 1.355 177.517 176.300 -0.230 0.000 0.988 118 D CA 1.485 55.462 54.000 -0.038 0.000 0.864 118 D CB -0.520 40.323 40.800 0.072 0.000 0.928 118 D HN 0.548 nan 8.370 nan 0.000 0.469 119 H N -0.209 118.749 119.070 -0.187 0.000 2.469 119 H HA 0.197 4.690 4.556 -0.106 0.000 0.286 119 H C 0.979 176.148 175.328 -0.266 0.000 1.106 119 H CA -0.104 55.818 56.048 -0.211 0.000 1.055 119 H CB 0.623 30.260 29.762 -0.208 0.000 1.618 119 H HN 0.254 nan 8.280 nan 0.000 0.559 120 E N 0.787 120.853 120.200 -0.224 0.000 2.106 120 E HA -0.059 4.229 4.350 -0.105 0.000 0.192 120 E C 0.563 177.021 176.600 -0.237 0.000 0.984 120 E CA 0.611 56.852 56.400 -0.265 0.000 0.806 120 E CB 0.390 29.915 29.700 -0.292 0.000 0.750 120 E HN 0.185 nan 8.360 nan 0.000 0.458 121 R N 1.300 121.700 120.500 -0.166 0.000 2.441 121 R HA 0.318 4.595 4.340 -0.105 0.000 0.284 121 R C 0.412 176.721 176.300 0.016 0.000 1.070 121 R CA -0.158 55.905 56.100 -0.061 0.000 1.047 121 R CB 0.532 30.784 30.300 -0.080 0.000 1.016 121 R HN 0.204 nan 8.270 nan 0.000 0.477 122 I N -0.787 119.852 120.570 0.116 0.000 2.846 122 I HA 0.581 4.688 4.170 -0.105 0.000 0.307 122 I C -2.251 173.908 176.117 0.070 0.000 1.053 122 I CA -2.956 58.408 61.300 0.106 0.000 1.050 122 I CB 1.959 40.058 38.000 0.165 0.000 1.239 122 I HN 0.248 nan 8.210 nan 0.000 0.439 123 P HA 0.101 nan 4.420 nan 0.000 0.265 123 P C -0.800 176.514 177.300 0.023 0.000 1.193 123 P CA -0.015 63.095 63.100 0.015 0.000 0.765 123 P CB 0.421 32.119 31.700 -0.003 0.000 0.823 124 E N 2.662 122.877 120.200 0.025 0.000 2.376 124 E HA 0.223 4.511 4.350 -0.105 0.000 0.254 124 E C -0.385 176.222 176.600 0.013 0.000 1.213 124 E CA -0.856 55.565 56.400 0.034 0.000 0.945 124 E CB 0.535 30.260 29.700 0.041 0.000 1.057 124 E HN 0.270 nan 8.360 nan 0.000 0.479 125 R N 0.214 120.725 120.500 0.018 0.000 2.590 125 R HA 0.055 4.332 4.340 -0.105 0.000 0.274 125 R C 1.144 177.446 176.300 0.004 0.000 1.061 125 R CA -0.104 55.996 56.100 0.001 0.000 1.081 125 R CB 0.300 30.610 30.300 0.017 0.000 0.984 125 R HN 0.623 nan 8.270 nan 0.000 0.448 126 I N 2.900 123.464 120.570 -0.010 0.000 2.208 126 I HA -0.196 3.911 4.170 -0.105 0.000 0.245 126 I C 0.357 176.490 176.117 0.026 0.000 1.097 126 I CA 1.414 62.716 61.300 0.004 0.000 1.363 126 I CB 0.388 38.388 38.000 -0.000 0.000 1.051 126 I HN 0.391 nan 8.210 nan 0.000 0.413 127 V N -1.679 118.264 119.914 0.049 0.000 2.914 127 V HA 0.545 4.602 4.120 -0.105 0.000 0.314 127 V C -0.182 175.961 176.094 0.082 0.000 1.084 127 V CA -0.559 61.793 62.300 0.087 0.000 0.963 127 V CB 1.327 33.259 31.823 0.181 0.000 1.025 127 V HN 0.503 nan 8.190 nan 0.000 0.432 128 N N 0.745 119.502 118.700 0.095 0.000 2.780 128 N HA -0.165 4.512 4.740 -0.105 0.000 0.248 128 N C 0.923 176.476 175.510 0.072 0.000 1.102 128 N CA 0.992 54.094 53.050 0.086 0.000 0.697 128 N CB -1.309 37.221 38.487 0.071 0.000 1.028 128 N HN 1.282 nan 8.380 nan 0.000 0.554 129 A N -0.215 122.649 122.820 0.073 0.000 1.902 129 A HA -0.041 4.216 4.320 -0.105 0.000 0.217 129 A C 1.434 179.085 177.584 0.111 0.000 1.181 129 A CA 1.298 53.381 52.037 0.077 0.000 0.623 129 A CB -0.035 19.002 19.000 0.062 0.000 0.818 129 A HN 0.334 nan 8.150 nan 0.000 0.443 130 R N 0.357 120.927 120.500 0.118 0.000 2.210 130 R HA 0.486 4.763 4.340 -0.105 0.000 0.338 130 R C -0.126 176.281 176.300 0.178 0.000 1.062 130 R CA 0.809 57.002 56.100 0.155 0.000 0.902 130 R CB 0.015 30.402 30.300 0.145 0.000 1.050 130 R HN 0.381 nan 8.270 nan 0.000 0.461 131 G N 0.890 109.823 108.800 0.220 0.000 2.698 131 G HA2 0.487 4.384 3.960 -0.105 0.000 0.293 131 G HA3 0.487 4.384 3.960 -0.105 0.000 0.293 131 G C -1.585 173.473 174.900 0.262 0.000 1.437 131 G CA -0.597 44.609 45.100 0.177 0.000 0.852 131 G HN 0.473 nan 8.290 nan 0.000 0.499 132 S N -0.888 114.938 115.700 0.210 0.000 2.532 132 S HA 0.874 5.282 4.470 -0.105 0.000 0.299 132 S C -0.091 174.546 174.600 0.062 0.000 1.105 132 S CA -0.189 58.182 58.200 0.284 0.000 1.018 132 S CB 1.670 65.163 63.200 0.488 0.000 1.021 132 S HN 1.469 nan 8.310 nan 0.000 0.483 133 A N 1.783 124.585 122.820 -0.029 0.000 2.469 133 A HA 1.019 5.276 4.320 -0.105 0.000 0.299 133 A C -0.908 176.520 177.584 -0.261 0.000 1.098 133 A CA -0.769 51.060 52.037 -0.346 0.000 0.737 133 A CB 1.613 20.249 19.000 -0.607 0.000 1.312 133 A HN 1.230 nan 8.150 nan 0.000 0.414 134 A N 0.590 123.120 122.820 -0.483 0.000 2.606 134 A HA 0.727 4.984 4.320 -0.105 0.000 0.293 134 A C -1.075 176.364 177.584 -0.241 0.000 1.082 134 A CA -0.627 51.276 52.037 -0.223 0.000 0.685 134 A CB 0.826 19.770 19.000 -0.093 0.000 1.284 134 A HN 0.874 nan 8.150 nan 0.000 0.408 135 H N -0.265 118.848 119.070 0.072 0.000 2.482 135 H HA 0.689 5.183 4.556 -0.103 0.000 0.344 135 H C 0.627 175.966 175.328 0.018 0.000 1.151 135 H CA 0.954 57.096 56.048 0.156 0.000 1.300 135 H CB 1.863 31.707 29.762 0.137 0.000 1.494 135 H HN 1.147 nan 8.280 nan 0.000 0.542 136 G N 0.702 109.617 108.800 0.192 0.000 2.500 136 G HA2 0.347 4.244 3.960 -0.105 0.000 0.299 136 G HA3 0.347 4.244 3.960 -0.105 0.000 0.299 136 G C -2.063 172.975 174.900 0.229 0.000 1.242 136 G CA -0.588 44.578 45.100 0.111 0.000 0.859 136 G HN 0.629 nan 8.290 nan 0.000 0.481 137 Y N -1.673 118.671 120.300 0.073 0.000 2.581 137 Y HA 0.822 5.309 4.550 -0.105 0.000 0.337 137 Y C -1.947 174.093 175.900 0.233 0.000 1.108 137 Y CA -1.906 56.282 58.100 0.147 0.000 1.033 137 Y CB 1.730 40.251 38.460 0.102 0.000 1.318 137 Y HN 0.840 nan 8.280 nan 0.000 0.459 138 F N 2.317 122.405 119.950 0.230 0.000 2.561 138 F HA 0.758 5.224 4.527 -0.102 0.000 0.321 138 F C -1.170 174.854 175.800 0.373 0.000 1.065 138 F CA -0.669 57.485 58.000 0.257 0.000 0.934 138 F CB 2.362 41.645 39.000 0.471 0.000 1.215 138 F HN 0.775 nan 8.300 nan 0.000 0.471 139 Q N 5.320 124.535 119.800 -0.975 0.000 2.320 139 Q HA 0.384 4.662 4.340 -0.105 0.000 0.272 139 Q C -2.806 172.626 176.000 -0.947 0.000 1.023 139 Q CA -2.276 53.145 55.803 -0.637 0.000 0.855 139 Q CB 3.078 31.770 28.738 -0.076 0.000 1.367 139 Q HN 0.321 nan 8.270 nan 0.000 0.406 140 P HA 0.053 nan 4.420 nan 0.000 0.274 140 P C -0.504 176.740 177.300 -0.094 0.000 1.237 140 P CA 0.222 63.147 63.100 -0.293 0.000 0.793 140 P CB 0.502 32.160 31.700 -0.070 0.000 0.977 141 Y N 0.362 120.612 120.300 -0.083 0.000 2.448 141 Y HA 0.015 4.503 4.550 -0.103 0.000 0.289 141 Y C 1.432 177.310 175.900 -0.037 0.000 1.114 141 Y CA 0.175 58.244 58.100 -0.050 0.000 1.235 141 Y CB 0.416 38.855 38.460 -0.036 0.000 1.045 141 Y HN 0.348 nan 8.280 nan 0.000 0.554 142 K N -0.993 119.476 120.400 0.114 0.000 2.578 142 K HA 0.358 4.615 4.320 -0.105 0.000 0.287 142 K C -1.063 175.547 176.600 0.017 0.000 1.010 142 K CA -0.908 55.414 56.287 0.058 0.000 0.889 142 K CB 1.576 34.108 32.500 0.053 0.000 1.514 142 K HN -0.242 nan 8.250 nan 0.000 0.424 143 S N 0.516 116.222 115.700 0.010 0.000 2.564 143 S HA 0.239 4.646 4.470 -0.105 0.000 0.278 143 S C 0.283 174.875 174.600 -0.014 0.000 1.333 143 S CA -0.657 57.540 58.200 -0.005 0.000 1.048 143 S CB -0.095 63.105 63.200 -0.000 0.000 0.900 143 S HN 0.526 nan 8.310 nan 0.000 0.505 144 L N 4.411 125.616 121.223 -0.029 0.000 3.017 144 L HA 0.191 4.468 4.340 -0.105 0.000 0.255 144 L C 1.838 178.692 176.870 -0.027 0.000 1.247 144 L CA -0.131 54.696 54.840 -0.022 0.000 1.038 144 L CB 0.107 42.158 42.059 -0.013 0.000 1.380 144 L HN 0.822 nan 8.230 nan 0.000 0.548 145 S N -2.090 113.594 115.700 -0.028 0.000 2.507 145 S HA -0.131 4.276 4.470 -0.105 0.000 0.235 145 S C 1.176 175.756 174.600 -0.032 0.000 0.988 145 S CA 0.837 59.017 58.200 -0.033 0.000 0.944 145 S CB -0.116 63.070 63.200 -0.024 0.000 0.762 145 S HN 0.374 nan 8.310 nan 0.000 0.526 146 D N 2.063 122.448 120.400 -0.025 0.000 2.277 146 D HA 0.070 4.647 4.640 -0.105 0.000 0.208 146 D C 1.766 178.043 176.300 -0.039 0.000 0.962 146 D CA 1.194 55.178 54.000 -0.027 0.000 0.865 146 D CB -0.127 40.663 40.800 -0.017 0.000 0.939 146 D HN 0.792 nan 8.370 nan 0.000 0.510 147 I N -3.835 116.712 120.570 -0.038 0.000 4.181 147 I HA 0.243 4.350 4.170 -0.105 0.000 0.331 147 I C 0.372 176.437 176.117 -0.086 0.000 1.312 147 I CA 0.009 61.275 61.300 -0.057 0.000 1.146 147 I CB 1.156 39.140 38.000 -0.027 0.000 1.074 147 I HN -0.250 nan 8.210 nan 0.000 0.402 148 T N 1.403 115.909 114.554 -0.079 0.000 2.942 148 T HA 0.319 4.607 4.350 -0.105 0.000 0.327 148 T C -0.207 174.438 174.700 -0.093 0.000 1.360 148 T CA -0.680 61.355 62.100 -0.108 0.000 1.055 148 T CB 1.799 70.591 68.868 -0.125 0.000 1.261 148 T HN 0.419 nan 8.240 nan 0.000 0.485 149 K N 2.173 122.517 120.400 -0.094 0.000 2.387 149 K HA 0.599 4.856 4.320 -0.105 0.000 0.198 149 K C 0.755 177.322 176.600 -0.055 0.000 1.022 149 K CA -0.338 55.909 56.287 -0.066 0.000 1.128 149 K CB 0.298 32.761 32.500 -0.061 0.000 0.853 149 K HN 0.520 nan 8.250 nan 0.000 0.523 150 A N 2.211 124.980 122.820 -0.084 0.000 2.545 150 A HA -0.081 4.176 4.320 -0.105 0.000 0.253 150 A C 0.584 178.158 177.584 -0.015 0.000 1.074 150 A CA 0.198 52.207 52.037 -0.048 0.000 0.760 150 A CB -0.012 18.914 19.000 -0.124 0.000 1.005 150 A HN 0.466 nan 8.150 nan 0.000 0.506 151 D N 2.094 122.551 120.400 0.096 0.000 2.144 151 D HA -0.222 4.356 4.640 -0.105 0.000 0.199 151 D C 1.363 177.765 176.300 0.170 0.000 0.984 151 D CA 2.210 56.279 54.000 0.114 0.000 0.834 151 D CB -0.236 40.645 40.800 0.134 0.000 0.955 151 D HN 0.749 nan 8.370 nan 0.000 0.465 152 F N -0.841 119.151 119.950 0.069 0.000 2.546 152 F HA 0.148 4.613 4.527 -0.103 0.000 0.298 152 F C 1.153 177.060 175.800 0.179 0.000 1.120 152 F CA 0.357 58.442 58.000 0.142 0.000 1.456 152 F CB -0.183 38.915 39.000 0.163 0.000 1.088 152 F HN -0.054 nan 8.300 nan 0.000 0.572 153 L N 0.606 121.608 121.223 -0.367 0.000 2.766 153 L HA 0.159 4.436 4.340 -0.105 0.000 0.242 153 L C 2.150 178.947 176.870 -0.121 0.000 1.136 153 L CA 0.417 55.058 54.840 -0.332 0.000 0.933 153 L CB -0.036 41.693 42.059 -0.550 0.000 1.241 153 L HN 0.316 nan 8.230 nan 0.000 0.522 154 S N -1.673 113.995 115.700 -0.053 0.000 2.527 154 S HA -0.012 4.395 4.470 -0.105 0.000 0.222 154 S C 0.350 174.954 174.600 0.006 0.000 0.985 154 S CA 0.216 58.405 58.200 -0.017 0.000 0.921 154 S CB -0.053 63.151 63.200 0.006 0.000 0.772 154 S HN 0.447 nan 8.310 nan 0.000 0.529 155 D N -0.086 120.328 120.400 0.023 0.000 2.836 155 D HA 0.321 4.898 4.640 -0.105 0.000 0.215 155 D C -2.740 173.582 176.300 0.036 0.000 1.255 155 D CA -1.515 52.502 54.000 0.029 0.000 0.822 155 D CB 1.590 42.411 40.800 0.036 0.000 1.656 155 D HN -0.190 nan 8.370 nan 0.000 0.511 156 P HA -0.021 nan 4.420 nan 0.000 0.225 156 P C 0.268 177.592 177.300 0.041 0.000 1.148 156 P CA 0.877 63.997 63.100 0.035 0.000 0.779 156 P CB 0.077 31.806 31.700 0.048 0.000 0.780 157 N N -0.780 117.945 118.700 0.042 0.000 2.412 157 N HA -0.007 4.671 4.740 -0.105 0.000 0.184 157 N C 0.658 176.203 175.510 0.058 0.000 1.101 157 N CA -0.033 53.043 53.050 0.043 0.000 0.881 157 N CB -0.117 38.390 38.487 0.033 0.000 0.969 157 N HN 0.070 nan 8.380 nan 0.000 0.459 158 K N 1.893 122.340 120.400 0.079 0.000 2.292 158 K HA 0.228 4.485 4.320 -0.105 0.000 0.290 158 K C -0.856 175.843 176.600 0.165 0.000 1.083 158 K CA -0.035 56.326 56.287 0.122 0.000 0.918 158 K CB 0.286 32.872 32.500 0.143 0.000 1.089 158 K HN 0.050 nan 8.250 nan 0.000 0.473 159 I N 3.817 124.482 120.570 0.158 0.000 2.331 159 I HA 0.136 4.243 4.170 -0.105 0.000 0.292 159 I C -0.189 176.097 176.117 0.281 0.000 0.998 159 I CA -0.441 60.979 61.300 0.200 0.000 1.267 159 I CB 1.850 39.901 38.000 0.085 0.000 1.386 159 I HN 0.522 nan 8.210 nan 0.000 0.476 160 T N 7.503 122.314 114.554 0.429 0.000 2.786 160 T HA 0.348 4.635 4.350 -0.105 0.000 0.283 160 T C -2.490 172.475 174.700 0.442 0.000 0.992 160 T CA -1.427 60.950 62.100 0.462 0.000 0.954 160 T CB 1.537 70.783 68.868 0.628 0.000 0.934 160 T HN 0.244 nan 8.240 nan 0.000 0.440 161 P HA 0.277 nan 4.420 nan 0.000 0.268 161 P C -0.663 176.885 177.300 0.413 0.000 1.205 161 P CA -0.418 62.886 63.100 0.341 0.000 0.771 161 P CB 0.569 32.399 31.700 0.217 0.000 0.858 162 V N 0.300 120.400 119.914 0.311 0.000 3.078 162 V HA 0.747 4.804 4.120 -0.105 0.000 0.311 162 V C -1.478 174.769 176.094 0.254 0.000 1.138 162 V CA -0.959 61.420 62.300 0.132 0.000 1.007 162 V CB 2.330 34.023 31.823 -0.215 0.000 1.045 162 V HN 0.316 nan 8.190 nan 0.000 0.432 163 F N 2.355 122.269 119.950 -0.060 0.000 2.612 163 F HA 0.811 5.273 4.527 -0.108 0.000 0.332 163 F C -0.905 174.805 175.800 -0.151 0.000 1.167 163 F CA -0.711 57.211 58.000 -0.130 0.000 0.970 163 F CB 1.735 40.671 39.000 -0.108 0.000 1.234 163 F HN 0.533 nan 8.300 nan 0.000 0.453 164 V N 6.496 125.975 119.914 -0.726 0.000 2.513 164 V HA 0.582 4.639 4.120 -0.105 0.000 0.299 164 V C -0.535 174.927 176.094 -1.054 0.000 1.035 164 V CA -0.819 60.994 62.300 -0.813 0.000 0.889 164 V CB 1.951 33.231 31.823 -0.905 0.000 0.988 164 V HN 0.695 nan 8.190 nan 0.000 0.440 165 R N 3.549 123.453 120.500 -0.994 0.000 2.476 165 R HA 0.580 4.857 4.340 -0.105 0.000 0.305 165 R C -1.679 174.051 176.300 -0.950 0.000 0.965 165 R CA -0.428 55.170 56.100 -0.836 0.000 0.867 165 R CB 1.086 31.111 30.300 -0.458 0.000 1.176 165 R HN 0.555 nan 8.270 nan 0.000 0.447 166 F N 2.042 121.606 119.950 -0.643 0.000 2.397 166 F HA 0.526 4.991 4.527 -0.103 0.000 0.331 166 F C 0.546 176.003 175.800 -0.573 0.000 1.090 166 F CA -0.156 57.341 58.000 -0.839 0.000 1.065 166 F CB 2.107 40.118 39.000 -1.649 0.000 1.184 166 F HN 0.606 nan 8.300 nan 0.000 0.499 167 S N -0.922 114.662 115.700 -0.193 0.000 2.615 167 S HA 0.639 5.046 4.470 -0.105 0.000 0.269 167 S C -0.602 174.082 174.600 0.139 0.000 1.161 167 S CA -0.871 57.339 58.200 0.017 0.000 0.817 167 S CB 1.290 64.487 63.200 -0.005 0.000 1.131 167 S HN 0.709 nan 8.310 nan 0.000 0.467 168 T N -1.405 113.266 114.554 0.195 0.000 2.867 168 T HA 0.697 4.984 4.350 -0.105 0.000 0.286 168 T C 0.806 175.604 174.700 0.164 0.000 1.022 168 T CA -0.080 62.141 62.100 0.203 0.000 0.933 168 T CB 0.381 69.367 68.868 0.196 0.000 1.280 168 T HN 0.682 nan 8.240 nan 0.000 0.566 169 V N -0.264 119.748 119.914 0.163 0.000 3.029 169 V HA 0.116 4.173 4.120 -0.105 0.000 0.230 169 V C 2.710 178.870 176.094 0.110 0.000 1.254 169 V CA 0.254 62.655 62.300 0.168 0.000 1.276 169 V CB -0.233 31.739 31.823 0.247 0.000 1.080 169 V HN 0.849 nan 8.190 nan 0.000 0.495 170 Q N 1.268 121.113 119.800 0.075 0.000 2.062 170 Q HA 0.046 4.323 4.340 -0.105 0.000 0.196 170 Q C 1.312 177.318 176.000 0.009 0.000 0.967 170 Q CA 1.476 57.285 55.803 0.011 0.000 0.832 170 Q CB -0.385 28.334 28.738 -0.032 0.000 0.899 170 Q HN 0.582 nan 8.270 nan 0.000 0.442 171 G N -0.074 108.744 108.800 0.029 0.000 2.594 171 G HA2 0.356 4.253 3.960 -0.105 0.000 0.243 171 G HA3 0.356 4.253 3.960 -0.105 0.000 0.243 171 G C 0.133 175.048 174.900 0.026 0.000 1.229 171 G CA 0.092 45.204 45.100 0.019 0.000 0.843 171 G HN 0.343 nan 8.290 nan 0.000 0.578 172 G N -1.019 107.786 108.800 0.009 0.000 2.634 172 G HA2 0.479 4.376 3.960 -0.105 0.000 0.255 172 G HA3 0.479 4.376 3.960 -0.105 0.000 0.255 172 G C 1.329 176.253 174.900 0.039 0.000 1.205 172 G CA 0.436 45.544 45.100 0.014 0.000 0.884 172 G HN 1.101 nan 8.290 nan 0.000 0.549 173 A N -0.181 122.668 122.820 0.049 0.000 2.024 173 A HA 0.069 4.326 4.320 -0.105 0.000 0.220 173 A C 2.276 179.892 177.584 0.053 0.000 1.164 173 A CA 2.088 54.172 52.037 0.077 0.000 0.643 173 A CB -0.411 18.648 19.000 0.098 0.000 0.806 173 A HN 1.133 nan 8.150 nan 0.000 0.451 174 G N -0.399 108.414 108.800 0.023 0.000 3.189 174 G HA2 0.324 4.221 3.960 -0.105 0.000 0.225 174 G HA3 0.324 4.221 3.960 -0.105 0.000 0.225 174 G C 0.727 175.628 174.900 0.001 0.000 1.159 174 G CA 0.674 45.775 45.100 0.001 0.000 0.763 174 G HN 0.665 nan 8.290 nan 0.000 0.549 175 S N -0.129 115.580 115.700 0.015 0.000 2.661 175 S HA 0.719 5.126 4.470 -0.105 0.000 0.265 175 S C 0.495 175.111 174.600 0.026 0.000 1.225 175 S CA -0.132 58.076 58.200 0.012 0.000 0.986 175 S CB 1.490 64.700 63.200 0.016 0.000 1.008 175 S HN 0.540 nan 8.310 nan 0.000 0.565 176 A N 0.308 123.139 122.820 0.019 0.000 2.371 176 A HA 0.360 4.617 4.320 -0.105 0.000 0.257 176 A C 0.654 178.262 177.584 0.040 0.000 1.089 176 A CA -0.535 51.511 52.037 0.014 0.000 0.794 176 A CB -0.196 18.798 19.000 -0.010 0.000 1.029 176 A HN 0.849 nan 8.150 nan 0.000 0.488 177 D N 0.740 121.153 120.400 0.022 0.000 2.123 177 D HA -0.079 4.499 4.640 -0.105 0.000 0.200 177 D C 1.691 177.963 176.300 -0.046 0.000 0.976 177 D CA 2.249 56.268 54.000 0.031 0.000 0.831 177 D CB -0.236 40.535 40.800 -0.048 0.000 0.974 177 D HN 0.691 nan 8.370 nan 0.000 0.469 178 T N -0.395 114.070 114.554 -0.148 0.000 3.330 178 T HA 0.267 4.555 4.350 -0.105 0.000 0.249 178 T C 0.927 175.635 174.700 0.013 0.000 0.980 178 T CA -0.530 61.480 62.100 -0.151 0.000 0.920 178 T CB -0.930 67.779 68.868 -0.266 0.000 1.065 178 T HN -0.054 nan 8.240 nan 0.000 0.588 179 V N -1.048 118.917 119.914 0.084 0.000 3.432 179 V HA 0.346 4.403 4.120 -0.105 0.000 0.304 179 V C 0.741 176.985 176.094 0.250 0.000 1.107 179 V CA -1.274 61.129 62.300 0.172 0.000 1.153 179 V CB 0.204 32.110 31.823 0.139 0.000 1.072 179 V HN 0.577 nan 8.190 nan 0.000 0.485 180 R N 1.554 122.234 120.500 0.300 0.000 2.234 180 R HA 0.473 4.750 4.340 -0.105 0.000 0.324 180 R C -0.868 175.501 176.300 0.116 0.000 1.054 180 R CA -0.091 56.117 56.100 0.181 0.000 0.912 180 R CB 0.255 30.534 30.300 -0.035 0.000 1.030 180 R HN 1.070 nan 8.270 nan 0.000 0.455 181 D N 3.226 123.713 120.400 0.146 0.000 2.725 181 D HA 0.191 4.768 4.640 -0.105 0.000 0.292 181 D C -0.698 175.720 176.300 0.197 0.000 1.288 181 D CA -0.606 53.481 54.000 0.146 0.000 0.784 181 D CB 1.172 42.062 40.800 0.150 0.000 1.308 181 D HN 0.231 nan 8.370 nan 0.000 0.429 182 I N 1.120 121.830 120.570 0.233 0.000 2.945 182 I HA 0.279 4.386 4.170 -0.105 0.000 0.292 182 I C 0.716 176.976 176.117 0.237 0.000 1.093 182 I CA -0.101 61.338 61.300 0.232 0.000 1.336 182 I CB 0.278 38.441 38.000 0.272 0.000 1.435 182 I HN 0.271 nan 8.210 nan 0.000 0.593 183 R N 2.237 122.875 120.500 0.231 0.000 2.562 183 R HA 0.538 4.815 4.340 -0.105 0.000 0.298 183 R C -0.178 176.236 176.300 0.190 0.000 0.961 183 R CA -0.753 55.481 56.100 0.225 0.000 0.881 183 R CB 1.500 31.951 30.300 0.253 0.000 1.159 183 R HN 0.792 nan 8.270 nan 0.000 0.450 184 G N 1.091 109.968 108.800 0.127 0.000 2.400 184 G HA2 0.475 4.372 3.960 -0.105 0.000 0.301 184 G HA3 0.475 4.372 3.960 -0.105 0.000 0.301 184 G C -1.258 173.672 174.900 0.050 0.000 1.154 184 G CA -0.079 45.066 45.100 0.076 0.000 0.852 184 G HN 0.361 nan 8.290 nan 0.000 0.511 185 F N 2.177 122.029 119.950 -0.164 0.000 2.949 185 F HA 0.636 5.099 4.527 -0.108 0.000 0.376 185 F C -0.102 175.453 175.800 -0.408 0.000 1.205 185 F CA -1.913 55.914 58.000 -0.288 0.000 1.155 185 F CB 0.945 39.885 39.000 -0.100 0.000 1.495 185 F HN 0.641 nan 8.300 nan 0.000 0.551 186 A N 3.335 125.938 122.820 -0.363 0.000 2.276 186 A HA 0.763 5.021 4.320 -0.105 0.000 0.316 186 A C -0.439 176.780 177.584 -0.608 0.000 1.229 186 A CA -0.342 51.307 52.037 -0.646 0.000 0.851 186 A CB 0.611 18.771 19.000 -1.400 0.000 1.165 186 A HN 0.548 nan 8.150 nan 0.000 0.513 187 T N 2.405 116.754 114.554 -0.342 0.000 2.812 187 T HA 0.374 4.661 4.350 -0.105 0.000 0.282 187 T C -0.366 174.189 174.700 -0.242 0.000 0.990 187 T CA -0.472 61.434 62.100 -0.323 0.000 0.960 187 T CB 1.090 69.738 68.868 -0.367 0.000 0.948 187 T HN 0.624 nan 8.240 nan 0.000 0.438 188 K N 3.350 123.656 120.400 -0.156 0.000 2.264 188 K HA 0.439 4.696 4.320 -0.105 0.000 0.277 188 K C -1.188 175.061 176.600 -0.585 0.000 1.067 188 K CA -0.575 55.517 56.287 -0.325 0.000 0.900 188 K CB 0.297 32.541 32.500 -0.426 0.000 1.124 188 K HN 0.394 nan 8.250 nan 0.000 0.469 189 F N 4.142 123.796 119.950 -0.493 0.000 2.404 189 F HA 0.215 4.677 4.527 -0.107 0.000 0.358 189 F C -0.304 175.277 175.800 -0.364 0.000 1.120 189 F CA -0.484 57.279 58.000 -0.394 0.000 1.144 189 F CB 0.635 39.306 39.000 -0.549 0.000 1.133 189 F HN 0.443 nan 8.300 nan 0.000 0.495 190 Y N 1.936 122.286 120.300 0.083 0.000 2.724 190 Y HA 0.205 4.693 4.550 -0.103 0.000 0.332 190 Y C 1.091 177.043 175.900 0.086 0.000 1.276 190 Y CA -0.887 57.249 58.100 0.060 0.000 1.597 190 Y CB -0.312 38.178 38.460 0.050 0.000 1.584 190 Y HN 0.582 nan 8.280 nan 0.000 0.478 191 T N -2.642 112.008 114.554 0.159 0.000 2.732 191 T HA 0.139 4.426 4.350 -0.105 0.000 0.287 191 T C 0.962 175.755 174.700 0.155 0.000 0.993 191 T CA -0.541 61.657 62.100 0.163 0.000 0.966 191 T CB 0.887 69.823 68.868 0.115 0.000 1.047 191 T HN 0.615 nan 8.240 nan 0.000 0.527 192 E N -0.372 119.920 120.200 0.153 0.000 2.489 192 E HA 0.063 4.350 4.350 -0.105 0.000 0.193 192 E C 0.851 177.513 176.600 0.102 0.000 1.057 192 E CA 0.291 56.763 56.400 0.120 0.000 0.866 192 E CB 0.207 29.975 29.700 0.113 0.000 0.916 192 E HN 0.692 nan 8.360 nan 0.000 0.500 193 E N 0.412 120.676 120.200 0.105 0.000 2.789 193 E HA 0.249 4.536 4.350 -0.105 0.000 0.208 193 E C -0.038 176.602 176.600 0.068 0.000 0.988 193 E CA -0.322 56.131 56.400 0.088 0.000 1.092 193 E CB 1.259 31.016 29.700 0.095 0.000 1.066 193 E HN 0.212 nan 8.360 nan 0.000 0.465 194 G N 1.111 109.946 108.800 0.059 0.000 2.497 194 G HA2 -0.148 3.749 3.960 -0.105 0.000 0.686 194 G HA3 -0.148 3.749 3.960 -0.105 0.000 0.686 194 G C -0.786 174.117 174.900 0.004 0.000 1.288 194 G CA -1.093 44.018 45.100 0.018 0.000 0.899 194 G HN 0.037 nan 8.290 nan 0.000 0.608 195 I N 0.585 121.122 120.570 -0.055 0.000 2.529 195 I HA 0.498 4.605 4.170 -0.105 0.000 0.284 195 I C 0.211 176.325 176.117 -0.006 0.000 1.082 195 I CA -0.146 61.099 61.300 -0.091 0.000 1.406 195 I CB 0.843 38.725 38.000 -0.198 0.000 1.405 195 I HN 0.552 nan 8.210 nan 0.000 0.548 196 F N 6.253 126.101 119.950 -0.170 0.000 2.499 196 F HA 0.466 4.929 4.527 -0.107 0.000 0.333 196 F C -0.779 175.006 175.800 -0.026 0.000 1.138 196 F CA -1.092 56.813 58.000 -0.159 0.000 0.945 196 F CB 0.885 39.670 39.000 -0.358 0.000 1.181 196 F HN 0.331 nan 8.300 nan 0.000 0.435 197 D N 6.393 126.650 120.400 -0.239 0.000 2.274 197 D HA 0.253 4.830 4.640 -0.105 0.000 0.239 197 D C -0.935 175.023 176.300 -0.570 0.000 1.104 197 D CA -0.060 53.769 54.000 -0.284 0.000 0.840 197 D CB 2.117 42.937 40.800 0.034 0.000 1.100 197 D HN 0.522 nan 8.370 nan 0.000 0.477 198 L N 4.183 125.037 121.223 -0.615 0.000 2.272 198 L HA 0.247 4.524 4.340 -0.105 0.000 0.284 198 L C -0.945 175.768 176.870 -0.261 0.000 1.045 198 L CA -0.656 53.865 54.840 -0.530 0.000 0.842 198 L CB 1.016 42.754 42.059 -0.535 0.000 1.224 198 L HN 0.079 nan 8.230 nan 0.000 0.430 199 V N 6.057 125.868 119.914 -0.172 0.000 2.247 199 V HA 0.668 4.726 4.120 -0.105 0.000 0.262 199 V C 0.884 176.937 176.094 -0.067 0.000 1.096 199 V CA -0.045 62.170 62.300 -0.141 0.000 0.895 199 V CB 0.016 31.764 31.823 -0.125 0.000 1.141 199 V HN 0.839 nan 8.190 nan 0.000 0.478 200 G N 3.051 111.808 108.800 -0.072 0.000 2.820 200 G HA2 0.640 4.537 3.960 -0.105 0.000 0.291 200 G HA3 0.640 4.537 3.960 -0.105 0.000 0.291 200 G C -0.758 174.163 174.900 0.036 0.000 1.323 200 G CA -0.637 44.450 45.100 -0.022 0.000 1.055 200 G HN 0.483 nan 8.290 nan 0.000 0.520 201 N N -0.893 117.858 118.700 0.085 0.000 2.890 201 N HA 0.268 4.945 4.740 -0.105 0.000 0.317 201 N C 0.394 176.050 175.510 0.244 0.000 1.355 201 N CA -0.784 52.359 53.050 0.155 0.000 0.803 201 N CB 1.058 39.622 38.487 0.129 0.000 1.465 201 N HN 0.527 nan 8.380 nan 0.000 0.591 202 N N -1.533 117.334 118.700 0.279 0.000 2.235 202 N HA 0.014 4.691 4.740 -0.105 0.000 0.209 202 N C -0.637 175.122 175.510 0.416 0.000 1.122 202 N CA -0.163 53.114 53.050 0.379 0.000 0.845 202 N CB -0.136 38.556 38.487 0.341 0.000 1.004 202 N HN 0.528 nan 8.380 nan 0.000 0.499 203 T N -3.080 111.528 114.554 0.091 0.000 2.893 203 T HA 0.445 4.733 4.350 -0.105 0.000 0.291 203 T C -2.439 171.625 174.700 -1.059 0.000 1.028 203 T CA -1.720 60.014 62.100 -0.610 0.000 0.995 203 T CB 3.036 71.436 68.868 -0.780 0.000 1.051 203 T HN -0.262 nan 8.240 nan 0.000 0.470 204 P HA 0.133 nan 4.420 nan 0.000 0.237 204 P C 0.577 177.351 177.300 -0.877 0.000 1.178 204 P CA 0.274 62.418 63.100 -1.593 0.000 0.766 204 P CB -0.069 30.668 31.700 -1.606 0.000 0.876 205 I N -4.763 115.280 120.570 -0.878 0.000 3.264 205 I HA 0.536 4.643 4.170 -0.105 0.000 0.315 205 I C -1.316 174.533 176.117 -0.446 0.000 1.154 205 I CA -1.891 59.059 61.300 -0.584 0.000 0.962 205 I CB 1.604 39.258 38.000 -0.577 0.000 1.265 205 I HN -0.252 nan 8.210 nan 0.000 0.463 206 F N 0.600 120.276 119.950 -0.456 0.000 2.572 206 F HA 0.497 4.964 4.527 -0.099 0.000 0.342 206 F C 0.430 176.000 175.800 -0.383 0.000 1.064 206 F CA -0.731 57.030 58.000 -0.398 0.000 1.008 206 F CB 1.802 40.692 39.000 -0.183 0.000 1.303 206 F HN 0.399 nan 8.300 nan 0.000 0.492 207 F N 2.151 121.457 119.950 -1.072 0.000 2.325 207 F HA 0.038 4.501 4.527 -0.108 0.000 0.299 207 F C 0.725 176.286 175.800 -0.398 0.000 1.090 207 F CA 0.702 58.215 58.000 -0.812 0.000 1.392 207 F CB -0.198 37.971 39.000 -1.386 0.000 1.053 207 F HN 0.108 nan 8.300 nan 0.000 0.521 208 I N -2.991 117.604 120.570 0.041 0.000 3.002 208 I HA 0.369 4.476 4.170 -0.105 0.000 0.310 208 I C 0.290 176.550 176.117 0.238 0.000 1.087 208 I CA -0.839 60.558 61.300 0.162 0.000 1.017 208 I CB 2.020 40.164 38.000 0.239 0.000 1.226 208 I HN -0.119 nan 8.210 nan 0.000 0.443 209 Q N 0.498 120.438 119.800 0.233 0.000 2.259 209 Q HA 0.111 4.388 4.340 -0.105 0.000 0.201 209 Q C -0.272 175.901 176.000 0.287 0.000 0.938 209 Q CA 0.623 56.603 55.803 0.295 0.000 0.872 209 Q CB 0.351 29.336 28.738 0.412 0.000 0.971 209 Q HN 0.665 nan 8.270 nan 0.000 0.494 210 D N -0.972 119.572 120.400 0.240 0.000 2.362 210 D HA 0.323 4.901 4.640 -0.105 0.000 0.247 210 D C 0.017 176.452 176.300 0.225 0.000 1.050 210 D CA -0.291 53.829 54.000 0.199 0.000 0.839 210 D CB 1.797 42.685 40.800 0.147 0.000 1.283 210 D HN 0.041 nan 8.370 nan 0.000 0.477 211 A N 3.341 126.270 122.820 0.183 0.000 2.019 211 A HA -0.208 4.050 4.320 -0.105 0.000 0.219 211 A C 1.811 179.519 177.584 0.205 0.000 1.164 211 A CA 1.571 53.708 52.037 0.168 0.000 0.644 211 A CB -0.804 18.241 19.000 0.073 0.000 0.805 211 A HN 0.826 nan 8.150 nan 0.000 0.449 212 H N 0.415 119.561 119.070 0.126 0.000 2.357 212 H HA -0.109 4.391 4.556 -0.093 0.000 0.296 212 H C 1.265 176.673 175.328 0.133 0.000 1.108 212 H CA 2.055 58.168 56.048 0.110 0.000 1.273 212 H CB 0.187 29.999 29.762 0.083 0.000 1.367 212 H HN 0.240 nan 8.280 nan 0.000 0.498 213 K N -0.077 120.468 120.400 0.242 0.000 2.487 213 K HA -0.051 4.206 4.320 -0.105 0.000 0.192 213 K C 1.624 178.363 176.600 0.231 0.000 1.027 213 K CA 0.092 56.514 56.287 0.224 0.000 1.054 213 K CB -0.461 32.219 32.500 0.301 0.000 0.824 213 K HN 0.345 nan 8.250 nan 0.000 0.510 214 F N 3.044 123.042 119.950 0.079 0.000 2.095 214 F HA -0.133 4.320 4.527 -0.124 0.000 0.298 214 F C -0.886 174.903 175.800 -0.018 0.000 1.104 214 F CA 1.388 59.447 58.000 0.098 0.000 1.232 214 F CB -0.566 38.480 39.000 0.077 0.000 0.987 214 F HN 0.058 nan 8.300 nan 0.000 0.475 215 P HA -0.131 nan 4.420 nan 0.000 0.220 215 P C 0.941 177.913 177.300 -0.546 0.000 1.148 215 P CA 1.642 64.494 63.100 -0.413 0.000 0.803 215 P CB -0.068 31.422 31.700 -0.351 0.000 0.782 216 D N -1.325 118.907 120.400 -0.280 0.000 2.091 216 D HA -0.122 4.455 4.640 -0.105 0.000 0.199 216 D C 1.812 177.805 176.300 -0.512 0.000 0.980 216 D CA 0.908 54.773 54.000 -0.224 0.000 0.831 216 D CB -0.803 40.043 40.800 0.078 0.000 0.987 216 D HN 0.135 nan 8.370 nan 0.000 0.460 217 F N 2.031 121.550 119.950 -0.717 0.000 2.046 217 F HA -0.266 4.193 4.527 -0.114 0.000 0.297 217 F C 2.312 177.699 175.800 -0.688 0.000 1.123 217 F CA 1.355 58.738 58.000 -1.028 0.000 1.199 217 F CB -0.292 38.358 39.000 -0.584 0.000 0.972 217 F HN -0.248 nan 8.300 nan 0.000 0.474 218 V N 0.397 119.851 119.914 -0.767 0.000 2.332 218 V HA -0.364 3.693 4.120 -0.105 0.000 0.248 218 V C 2.253 178.097 176.094 -0.417 0.000 1.055 218 V CA 2.523 64.418 62.300 -0.676 0.000 1.038 218 V CB -1.156 30.308 31.823 -0.599 0.000 0.651 218 V HN 0.498 nan 8.190 nan 0.000 0.450 219 H N -0.201 118.628 119.070 -0.401 0.000 2.353 219 H HA -0.124 4.370 4.556 -0.103 0.000 0.300 219 H C 2.333 177.495 175.328 -0.277 0.000 1.090 219 H CA 1.046 56.936 56.048 -0.262 0.000 1.327 219 H CB -0.038 29.624 29.762 -0.166 0.000 1.383 219 H HN 0.486 nan 8.280 nan 0.000 0.508 220 A N 0.425 123.054 122.820 -0.317 0.000 1.933 220 A HA -0.118 4.139 4.320 -0.105 0.000 0.218 220 A C 2.498 179.930 177.584 -0.253 0.000 1.175 220 A CA 1.416 53.273 52.037 -0.299 0.000 0.628 220 A CB -0.690 18.018 19.000 -0.487 0.000 0.814 220 A HN 0.307 nan 8.150 nan 0.000 0.444 221 V N -0.139 119.482 119.914 -0.489 0.000 2.649 221 V HA -0.014 4.043 4.120 -0.105 0.000 0.248 221 V C 1.055 177.118 176.094 -0.052 0.000 1.054 221 V CA 0.825 62.937 62.300 -0.312 0.000 1.073 221 V CB -0.433 31.010 31.823 -0.633 0.000 0.699 221 V HN 0.382 nan 8.190 nan 0.000 0.463 222 K N 0.927 121.252 120.400 -0.125 0.000 2.156 222 K HA 0.189 4.446 4.320 -0.105 0.000 0.242 222 K C -2.257 174.281 176.600 -0.103 0.000 1.033 222 K CA -1.440 54.789 56.287 -0.096 0.000 0.878 222 K CB -0.484 31.957 32.500 -0.098 0.000 1.057 222 K HN 0.155 nan 8.250 nan 0.000 0.505 223 P HA -0.035 nan 4.420 nan 0.000 0.264 223 P C -0.695 176.533 177.300 -0.121 0.000 1.183 223 P CA 0.503 63.464 63.100 -0.233 0.000 0.763 223 P CB 0.291 31.872 31.700 -0.197 0.000 0.807 224 E N 5.735 125.900 120.200 -0.058 0.000 2.392 224 E HA -0.012 4.275 4.350 -0.105 0.000 0.264 224 E C -1.194 175.460 176.600 0.088 0.000 1.024 224 E CA -1.292 55.182 56.400 0.123 0.000 0.903 224 E CB 0.140 30.038 29.700 0.330 0.000 0.963 224 E HN 0.431 nan 8.360 nan 0.000 0.432 225 P HA -0.227 nan 4.420 nan 0.000 0.218 225 P C 1.037 178.390 177.300 0.089 0.000 1.149 225 P CA 1.482 64.612 63.100 0.049 0.000 0.817 225 P CB 0.021 31.733 31.700 0.021 0.000 0.785 226 H N -1.030 118.072 119.070 0.054 0.000 2.357 226 H HA -0.079 4.414 4.556 -0.105 0.000 0.301 226 H C 1.492 176.917 175.328 0.162 0.000 1.082 226 H CA 1.455 57.523 56.048 0.033 0.000 1.342 226 H CB -1.243 28.469 29.762 -0.083 0.000 1.389 226 H HN 0.328 nan 8.280 nan 0.000 0.511 227 W N -0.164 120.755 121.300 -0.635 0.000 2.534 227 W HA 0.694 5.290 4.660 -0.107 0.000 0.339 227 W C 0.378 176.728 176.519 -0.282 0.000 0.961 227 W CA -1.064 56.048 57.345 -0.388 0.000 1.545 227 W CB -0.666 28.554 29.460 -0.400 0.000 1.104 227 W HN 0.415 nan 8.180 nan 0.000 0.538 228 A N 1.423 124.202 122.820 -0.068 0.000 2.667 228 A HA -0.129 4.128 4.320 -0.105 0.000 0.298 228 A C -0.476 176.869 177.584 -0.398 0.000 1.483 228 A CA 1.452 53.375 52.037 -0.190 0.000 0.738 228 A CB -2.373 16.545 19.000 -0.136 0.000 1.067 228 A HN 0.475 nan 8.150 nan 0.000 0.451 229 I N 0.537 120.730 120.570 -0.628 0.000 2.686 229 I HA 0.555 4.663 4.170 -0.105 0.000 0.295 229 I C -2.519 173.301 176.117 -0.495 0.000 1.114 229 I CA -2.274 58.573 61.300 -0.755 0.000 1.038 229 I CB 3.075 40.199 38.000 -1.460 0.000 1.238 229 I HN 0.229 nan 8.210 nan 0.000 0.420 230 P HA 0.330 nan 4.420 nan 0.000 0.292 230 P C -1.665 175.479 177.300 -0.259 0.000 1.308 230 P CA -0.886 62.004 63.100 -0.351 0.000 0.933 230 P CB 1.687 33.257 31.700 -0.217 0.000 1.217 231 Q N 0.569 120.259 119.800 -0.182 0.000 2.279 231 Q HA 0.489 4.766 4.340 -0.105 0.000 0.256 231 Q C 0.970 176.936 176.000 -0.057 0.000 0.937 231 Q CA 0.796 56.528 55.803 -0.118 0.000 0.933 231 Q CB -0.331 28.346 28.738 -0.102 0.000 1.189 231 Q HN 0.812 nan 8.270 nan 0.000 0.417 232 G N 3.403 112.179 108.800 -0.040 0.000 2.273 232 G HA2 -0.296 3.601 3.960 -0.105 0.000 0.280 232 G HA3 -0.296 3.601 3.960 -0.105 0.000 0.280 232 G C -0.462 174.455 174.900 0.029 0.000 1.047 232 G CA 0.582 45.685 45.100 0.005 0.000 0.869 232 G HN 0.554 nan 8.290 nan 0.000 0.502 233 Q N -1.042 118.763 119.800 0.008 0.000 2.331 233 Q HA 0.552 4.829 4.340 -0.105 0.000 0.272 233 Q C 0.808 176.820 176.000 0.021 0.000 1.062 233 Q CA -0.135 55.700 55.803 0.053 0.000 0.806 233 Q CB 1.789 30.599 28.738 0.120 0.000 1.312 233 Q HN 0.471 nan 8.270 nan 0.000 0.431 234 S N -0.445 115.168 115.700 -0.146 0.000 2.575 234 S HA 0.206 4.614 4.470 -0.105 0.000 0.215 234 S C 0.800 175.305 174.600 -0.159 0.000 0.966 234 S CA -0.043 57.853 58.200 -0.507 0.000 0.911 234 S CB 0.332 62.645 63.200 -1.478 0.000 0.780 234 S HN 0.573 nan 8.310 nan 0.000 0.514 235 A N 2.216 125.151 122.820 0.192 0.000 3.056 235 A HA 0.552 4.809 4.320 -0.105 0.000 0.274 235 A C 0.091 177.896 177.584 0.368 0.000 1.661 235 A CA -0.656 51.582 52.037 0.335 0.000 1.363 235 A CB -1.112 18.053 19.000 0.274 0.000 1.139 235 A HN 0.899 nan 8.150 nan 0.000 0.598 236 H N -3.365 115.874 119.070 0.281 0.000 2.990 236 H HA 0.571 5.063 4.556 -0.107 0.000 0.336 236 H C -0.316 175.195 175.328 0.305 0.000 1.306 236 H CA -0.792 55.397 56.048 0.236 0.000 1.118 236 H CB 0.446 30.315 29.762 0.179 0.000 1.856 236 H HN 0.059 nan 8.280 nan 0.000 0.538 237 D N -0.057 120.497 120.400 0.256 0.000 2.097 237 D HA -0.172 4.405 4.640 -0.105 0.000 0.195 237 D C 2.148 178.501 176.300 0.089 0.000 0.989 237 D CA 2.814 56.911 54.000 0.162 0.000 0.827 237 D CB -0.473 40.401 40.800 0.123 0.000 0.966 237 D HN 0.773 nan 8.370 nan 0.000 0.456 238 T N -1.339 113.265 114.554 0.084 0.000 2.788 238 T HA -0.221 4.066 4.350 -0.105 0.000 0.268 238 T C 1.924 176.569 174.700 -0.091 0.000 1.044 238 T CA 0.779 62.900 62.100 0.035 0.000 1.139 238 T CB -0.782 68.156 68.868 0.117 0.000 0.867 238 T HN 0.164 nan 8.240 nan 0.000 0.454 239 F N 0.972 120.620 119.950 -0.503 0.000 2.046 239 F HA 0.011 4.473 4.527 -0.108 0.000 0.297 239 F C 1.982 177.527 175.800 -0.426 0.000 1.123 239 F CA 1.098 58.740 58.000 -0.596 0.000 1.199 239 F CB -0.721 37.749 39.000 -0.883 0.000 0.972 239 F HN 0.158 nan 8.300 nan 0.000 0.474 240 W N 0.709 121.962 121.300 -0.077 0.000 2.392 240 W HA -0.147 4.454 4.660 -0.098 0.000 0.279 240 W C 2.308 178.759 176.519 -0.113 0.000 1.225 240 W CA 1.151 58.437 57.345 -0.099 0.000 1.233 240 W CB -0.661 28.823 29.460 0.041 0.000 1.122 240 W HN 0.141 nan 8.180 nan 0.000 0.561 241 D N -0.828 119.616 120.400 0.074 0.000 2.097 241 D HA -0.281 4.296 4.640 -0.105 0.000 0.197 241 D C 1.890 178.202 176.300 0.019 0.000 0.984 241 D CA 1.386 55.414 54.000 0.047 0.000 0.826 241 D CB -0.503 40.331 40.800 0.057 0.000 0.973 241 D HN 0.202 nan 8.370 nan 0.000 0.460 242 Y N 0.352 120.557 120.300 -0.159 0.000 2.181 242 Y HA -0.157 4.332 4.550 -0.102 0.000 0.288 242 Y C 2.169 177.944 175.900 -0.208 0.000 1.146 242 Y CA 1.351 59.349 58.100 -0.171 0.000 1.164 242 Y CB -0.370 37.960 38.460 -0.217 0.000 0.982 242 Y HN -0.112 nan 8.280 nan 0.000 0.515 243 V N 0.213 120.013 119.914 -0.190 0.000 2.332 243 V HA -0.338 3.719 4.120 -0.105 0.000 0.248 243 V C 2.644 178.678 176.094 -0.100 0.000 1.055 243 V CA 2.231 64.398 62.300 -0.221 0.000 1.038 243 V CB -1.231 30.357 31.823 -0.391 0.000 0.651 243 V HN 0.670 nan 8.190 nan 0.000 0.450 244 S N -0.280 115.409 115.700 -0.018 0.000 2.442 244 S HA -0.064 4.343 4.470 -0.105 0.000 0.236 244 S C 1.658 176.227 174.600 -0.051 0.000 1.007 244 S CA 1.349 59.560 58.200 0.018 0.000 0.965 244 S CB -0.435 62.806 63.200 0.069 0.000 0.773 244 S HN 0.569 nan 8.310 nan 0.000 0.504 245 L N 0.020 121.163 121.223 -0.133 0.000 2.640 245 L HA 0.358 4.635 4.340 -0.105 0.000 0.230 245 L C 0.309 177.006 176.870 -0.290 0.000 1.123 245 L CA 0.021 54.757 54.840 -0.174 0.000 0.900 245 L CB 0.101 42.063 42.059 -0.163 0.000 1.146 245 L HN 0.237 nan 8.230 nan 0.000 0.484 246 Q N 0.201 119.786 119.800 -0.359 0.000 3.255 246 Q HA 0.230 4.507 4.340 -0.105 0.000 0.231 246 Q C -2.031 173.749 176.000 -0.366 0.000 0.935 246 Q CA -1.346 54.198 55.803 -0.431 0.000 0.714 246 Q CB 1.638 29.986 28.738 -0.649 0.000 1.345 246 Q HN -0.053 nan 8.270 nan 0.000 0.463 247 P HA -0.177 nan 4.420 nan 0.000 0.230 247 P C 0.927 177.919 177.300 -0.514 0.000 1.158 247 P CA 0.884 63.734 63.100 -0.417 0.000 0.769 247 P CB 0.287 31.734 31.700 -0.422 0.000 0.807 248 E N 0.730 120.533 120.200 -0.661 0.000 2.209 248 E HA -0.179 4.108 4.350 -0.105 0.000 0.196 248 E C 1.401 177.956 176.600 -0.076 0.000 0.993 248 E CA 1.843 58.095 56.400 -0.247 0.000 0.819 248 E CB -1.338 28.282 29.700 -0.133 0.000 0.745 248 E HN 0.274 nan 8.360 nan 0.000 0.477 249 T N -0.545 113.963 114.554 -0.078 0.000 3.035 249 T HA 0.009 4.296 4.350 -0.105 0.000 0.268 249 T C 1.952 176.712 174.700 0.099 0.000 1.109 249 T CA 0.494 62.609 62.100 0.025 0.000 1.119 249 T CB -0.322 68.566 68.868 0.033 0.000 0.900 249 T HN 0.134 nan 8.240 nan 0.000 0.503 250 L N 0.106 121.389 121.223 0.100 0.000 2.046 250 L HA -0.098 4.179 4.340 -0.105 0.000 0.208 250 L C 2.874 179.910 176.870 0.278 0.000 1.077 250 L CA 1.923 56.893 54.840 0.217 0.000 0.747 250 L CB -0.821 41.365 42.059 0.212 0.000 0.896 250 L HN 0.450 nan 8.230 nan 0.000 0.432 251 H N 0.101 119.223 119.070 0.088 0.000 2.267 251 H HA -0.228 4.265 4.556 -0.104 0.000 0.297 251 H C 2.189 177.531 175.328 0.023 0.000 1.080 251 H CA 1.964 58.065 56.048 0.088 0.000 1.278 251 H CB 0.172 29.944 29.762 0.017 0.000 1.365 251 H HN 0.366 nan 8.280 nan 0.000 0.489 252 N N -0.248 118.299 118.700 -0.255 0.000 2.244 252 N HA -0.131 4.546 4.740 -0.105 0.000 0.183 252 N C 1.969 177.331 175.510 -0.248 0.000 1.016 252 N CA 0.736 53.414 53.050 -0.619 0.000 0.866 252 N CB 0.264 37.891 38.487 -1.433 0.000 0.980 252 N HN 0.115 nan 8.380 nan 0.000 0.430 253 V N 1.707 121.675 119.914 0.089 0.000 2.287 253 V HA -0.273 3.785 4.120 -0.105 0.000 0.248 253 V C 2.519 178.758 176.094 0.243 0.000 1.053 253 V CA 1.332 63.826 62.300 0.323 0.000 1.027 253 V CB -0.385 31.687 31.823 0.414 0.000 0.646 253 V HN 0.397 nan 8.190 nan 0.000 0.447 254 M N -1.522 118.261 119.600 0.305 0.000 2.082 254 M HA -0.240 4.177 4.480 -0.105 0.000 0.258 254 M C 2.076 178.368 176.300 -0.013 0.000 1.069 254 M CA 2.038 57.510 55.300 0.287 0.000 1.102 254 M CB -1.301 31.497 32.600 0.329 0.000 1.336 254 M HN 0.483 nan 8.290 nan 0.000 0.404 255 W N 0.328 121.369 121.300 -0.431 0.000 2.358 255 W HA -0.080 4.520 4.660 -0.101 0.000 0.303 255 W C 2.801 179.224 176.519 -0.159 0.000 1.208 255 W CA 1.807 58.858 57.345 -0.491 0.000 1.274 255 W CB -1.138 27.976 29.460 -0.577 0.000 1.138 255 W HN 0.309 nan 8.180 nan 0.000 0.515 256 A N -0.624 122.264 122.820 0.112 0.000 1.940 256 A HA -0.208 4.049 4.320 -0.105 0.000 0.219 256 A C 1.946 179.563 177.584 0.055 0.000 1.176 256 A CA 1.856 53.962 52.037 0.115 0.000 0.631 256 A CB -0.583 18.519 19.000 0.171 0.000 0.814 256 A HN 0.111 nan 8.150 nan 0.000 0.446 257 M N 0.507 120.100 119.600 -0.012 0.000 2.447 257 M HA 0.030 4.448 4.480 -0.105 0.000 0.264 257 M C 1.502 177.819 176.300 0.028 0.000 1.095 257 M CA 0.741 55.966 55.300 -0.125 0.000 1.125 257 M CB -1.336 30.939 32.600 -0.542 0.000 1.389 257 M HN 0.553 nan 8.290 nan 0.000 0.459 258 S N 0.153 115.936 115.700 0.137 0.000 2.626 258 S HA 0.074 4.481 4.470 -0.105 0.000 0.257 258 S C 0.774 175.499 174.600 0.208 0.000 1.288 258 S CA -0.351 57.987 58.200 0.230 0.000 0.980 258 S CB 0.877 64.275 63.200 0.330 0.000 0.975 258 S HN 0.182 nan 8.310 nan 0.000 0.577 259 D N 0.087 120.639 120.400 0.255 0.000 2.348 259 D HA 0.047 4.624 4.640 -0.105 0.000 0.216 259 D C 1.920 178.369 176.300 0.249 0.000 0.970 259 D CA 0.322 54.490 54.000 0.281 0.000 0.889 259 D CB -0.143 40.903 40.800 0.410 0.000 0.912 259 D HN 0.347 nan 8.370 nan 0.000 0.524 260 R N 0.214 120.851 120.500 0.228 0.000 2.127 260 R HA -0.062 4.215 4.340 -0.105 0.000 0.238 260 R C 2.049 178.501 176.300 0.254 0.000 1.134 260 R CA 1.066 57.319 56.100 0.256 0.000 0.975 260 R CB -0.924 29.575 30.300 0.332 0.000 0.865 260 R HN 0.201 nan 8.270 nan 0.000 0.447 261 G N 1.013 109.944 108.800 0.219 0.000 2.679 261 G HA2 -0.019 3.879 3.960 -0.105 0.000 0.212 261 G HA3 -0.019 3.879 3.960 -0.105 0.000 0.212 261 G C 0.926 175.960 174.900 0.224 0.000 1.137 261 G CA 0.148 45.368 45.100 0.200 0.000 0.787 261 G HN 0.416 nan 8.290 nan 0.000 0.534 262 I N -2.220 118.497 120.570 0.246 0.000 2.871 262 I HA 0.355 4.463 4.170 -0.105 0.000 0.284 262 I C -2.927 173.357 176.117 0.278 0.000 1.390 262 I CA -2.593 58.866 61.300 0.265 0.000 0.958 262 I CB 1.809 39.969 38.000 0.267 0.000 1.618 262 I HN -0.281 nan 8.210 nan 0.000 0.595 263 P HA 0.048 nan 4.420 nan 0.000 0.268 263 P C 0.623 178.105 177.300 0.304 0.000 1.208 263 P CA -0.139 63.103 63.100 0.238 0.000 0.777 263 P CB 0.955 32.736 31.700 0.136 0.000 0.875 264 R N 1.832 122.473 120.500 0.236 0.000 2.115 264 R HA 0.043 4.320 4.340 -0.105 0.000 0.226 264 R C 0.323 176.796 176.300 0.288 0.000 1.100 264 R CA 1.562 57.846 56.100 0.306 0.000 0.980 264 R CB -0.283 30.154 30.300 0.228 0.000 0.875 264 R HN 0.563 nan 8.270 nan 0.000 0.445 265 S N -3.011 112.641 115.700 -0.079 0.000 2.611 265 S HA 0.170 4.577 4.470 -0.105 0.000 0.270 265 S C -0.359 173.969 174.600 -0.454 0.000 1.131 265 S CA -0.854 57.076 58.200 -0.450 0.000 0.826 265 S CB -0.150 62.941 63.200 -0.182 0.000 1.095 265 S HN 0.060 nan 8.310 nan 0.000 0.461 266 Y N 1.653 121.578 120.300 -0.625 0.000 2.421 266 Y HA 0.165 4.654 4.550 -0.103 0.000 0.292 266 Y C 2.432 177.997 175.900 -0.559 0.000 1.136 266 Y CA 0.921 58.533 58.100 -0.813 0.000 1.255 266 Y CB -0.416 37.204 38.460 -1.398 0.000 0.991 266 Y HN 0.570 nan 8.280 nan 0.000 0.552 267 R N -0.552 119.823 120.500 -0.209 0.000 2.193 267 R HA -0.024 4.254 4.340 -0.105 0.000 0.213 267 R C 1.018 177.271 176.300 -0.077 0.000 1.055 267 R CA 1.443 57.460 56.100 -0.139 0.000 0.995 267 R CB -0.248 29.965 30.300 -0.146 0.000 0.893 267 R HN 0.283 nan 8.270 nan 0.000 0.459 268 T N -1.209 113.318 114.554 -0.044 0.000 3.256 268 T HA 0.384 4.671 4.350 -0.105 0.000 0.249 268 T C 0.121 174.864 174.700 0.072 0.000 0.975 268 T CA -0.639 61.465 62.100 0.007 0.000 1.011 268 T CB -0.135 68.724 68.868 -0.015 0.000 1.127 268 T HN 0.070 nan 8.240 nan 0.000 0.543 269 M N -1.230 118.457 119.600 0.147 0.000 2.575 269 M HA 0.704 5.121 4.480 -0.105 0.000 0.284 269 M C -1.338 175.146 176.300 0.306 0.000 1.253 269 M CA -0.840 54.586 55.300 0.210 0.000 0.861 269 M CB 2.257 34.978 32.600 0.203 0.000 1.733 269 M HN -0.101 nan 8.290 nan 0.000 0.462 270 E N 0.339 120.707 120.200 0.281 0.000 2.312 270 E HA 0.702 4.990 4.350 -0.105 0.000 0.259 270 E C -0.348 176.309 176.600 0.095 0.000 1.122 270 E CA -0.502 55.998 56.400 0.166 0.000 0.922 270 E CB 1.739 31.495 29.700 0.093 0.000 1.109 270 E HN 0.859 nan 8.360 nan 0.000 0.442 271 G N 0.615 109.246 108.800 -0.281 0.000 2.682 271 G HA2 0.601 4.498 3.960 -0.105 0.000 0.300 271 G HA3 0.601 4.498 3.960 -0.105 0.000 0.300 271 G C -1.579 172.859 174.900 -0.771 0.000 1.391 271 G CA -0.474 44.417 45.100 -0.348 0.000 0.990 271 G HN 0.264 nan 8.290 nan 0.000 0.501 272 F N -0.099 119.751 119.950 -0.168 0.000 2.613 272 F HA 0.562 5.025 4.527 -0.107 0.000 0.310 272 F C 1.118 176.810 175.800 -0.180 0.000 1.085 272 F CA -0.420 57.428 58.000 -0.253 0.000 0.945 272 F CB 2.541 41.355 39.000 -0.309 0.000 1.298 272 F HN 0.599 nan 8.300 nan 0.000 0.455 273 G N 0.393 109.241 108.800 0.079 0.000 2.603 273 G HA2 0.171 4.068 3.960 -0.105 0.000 0.214 273 G HA3 0.171 4.068 3.960 -0.105 0.000 0.214 273 G C 1.135 176.098 174.900 0.105 0.000 1.140 273 G CA 0.850 46.049 45.100 0.164 0.000 0.800 273 G HN 0.772 nan 8.290 nan 0.000 0.533 274 I N -1.117 119.453 120.570 -0.001 0.000 4.734 274 I HA -0.296 3.811 4.170 -0.105 0.000 0.042 274 I C 0.438 176.455 176.117 -0.167 0.000 0.629 274 I CA 1.266 62.446 61.300 -0.201 0.000 0.696 274 I CB -1.180 36.593 38.000 -0.378 0.000 0.654 274 I HN 0.242 nan 8.210 nan 0.000 0.155 275 H N 2.314 121.408 119.070 0.040 0.000 2.757 275 H HA 0.223 4.714 4.556 -0.108 0.000 0.370 275 H C 0.052 175.348 175.328 -0.053 0.000 1.172 275 H CA 0.628 56.615 56.048 -0.102 0.000 1.426 275 H CB 0.289 29.833 29.762 -0.363 0.000 1.438 275 H HN 0.202 nan 8.280 nan 0.000 0.612 276 T N 3.534 118.084 114.554 -0.007 0.000 2.794 276 T HA 0.259 4.546 4.350 -0.105 0.000 0.296 276 T C 0.234 174.888 174.700 -0.077 0.000 0.949 276 T CA 0.009 62.100 62.100 -0.014 0.000 1.101 276 T CB -0.060 68.746 68.868 -0.103 0.000 0.905 276 T HN 0.247 nan 8.240 nan 0.000 0.516 277 F N 1.259 121.219 119.950 0.016 0.000 2.732 277 F HA 0.678 5.139 4.527 -0.109 0.000 0.394 277 F C 0.967 176.752 175.800 -0.026 0.000 1.194 277 F CA -1.327 56.694 58.000 0.034 0.000 1.127 277 F CB 1.365 40.389 39.000 0.039 0.000 1.470 277 F HN 0.167 nan 8.300 nan 0.000 0.505 278 R N 0.582 121.152 120.500 0.116 0.000 2.686 278 R HA 0.622 4.899 4.340 -0.105 0.000 0.283 278 R C -1.753 174.429 176.300 -0.196 0.000 0.978 278 R CA -0.864 55.163 56.100 -0.121 0.000 0.897 278 R CB 2.217 32.385 30.300 -0.220 0.000 1.192 278 R HN 0.423 nan 8.270 nan 0.000 0.457 279 L N 3.840 124.891 121.223 -0.286 0.000 2.317 279 L HA 0.553 4.830 4.340 -0.105 0.000 0.281 279 L C -0.497 176.200 176.870 -0.288 0.000 1.024 279 L CA -0.940 53.733 54.840 -0.278 0.000 0.810 279 L CB 1.442 43.329 42.059 -0.286 0.000 1.240 279 L HN 0.380 nan 8.230 nan 0.000 0.427 280 I N 2.883 123.303 120.570 -0.250 0.000 2.436 280 I HA 0.303 4.410 4.170 -0.105 0.000 0.289 280 I C -0.239 175.769 176.117 -0.181 0.000 1.010 280 I CA -0.677 60.471 61.300 -0.254 0.000 1.098 280 I CB 1.554 39.403 38.000 -0.251 0.000 1.266 280 I HN 0.618 nan 8.210 nan 0.000 0.434 281 N N 4.677 123.283 118.700 -0.157 0.000 2.538 281 N HA 0.380 5.058 4.740 -0.105 0.000 0.292 281 N C 0.747 176.202 175.510 -0.091 0.000 1.262 281 N CA -0.450 52.534 53.050 -0.111 0.000 0.976 281 N CB 0.618 39.050 38.487 -0.092 0.000 1.161 281 N HN 0.535 nan 8.380 nan 0.000 0.598 282 A N -0.885 121.894 122.820 -0.068 0.000 2.125 282 A HA -0.181 4.076 4.320 -0.105 0.000 0.219 282 A C 1.728 179.283 177.584 -0.047 0.000 1.156 282 A CA 1.560 53.565 52.037 -0.055 0.000 0.671 282 A CB -1.026 17.950 19.000 -0.040 0.000 0.794 282 A HN 0.887 nan 8.150 nan 0.000 0.459 283 E N -1.410 118.762 120.200 -0.047 0.000 2.358 283 E HA 0.248 4.535 4.350 -0.105 0.000 0.195 283 E C 1.134 177.714 176.600 -0.032 0.000 1.010 283 E CA 0.805 57.183 56.400 -0.036 0.000 0.856 283 E CB -0.338 29.342 29.700 -0.034 0.000 0.795 283 E HN 0.769 nan 8.360 nan 0.000 0.504 284 G N 1.911 110.684 108.800 -0.046 0.000 2.159 284 G HA2 -0.332 3.565 3.960 -0.105 0.000 0.227 284 G HA3 -0.332 3.565 3.960 -0.105 0.000 0.227 284 G C 0.082 174.967 174.900 -0.025 0.000 0.986 284 G CA 0.188 45.275 45.100 -0.022 0.000 0.651 284 G HN 0.454 nan 8.290 nan 0.000 0.523 285 K N 0.719 121.072 120.400 -0.078 0.000 2.322 285 K HA 0.692 4.949 4.320 -0.105 0.000 0.283 285 K C 0.488 176.919 176.600 -0.282 0.000 1.042 285 K CA 0.161 56.373 56.287 -0.126 0.000 0.958 285 K CB 0.889 33.330 32.500 -0.098 0.000 0.984 285 K HN 0.706 nan 8.250 nan 0.000 0.473 286 A N 3.543 126.079 122.820 -0.472 0.000 2.309 286 A HA 0.418 4.676 4.320 -0.105 0.000 0.298 286 A C -0.730 176.530 177.584 -0.539 0.000 1.165 286 A CA -0.529 51.072 52.037 -0.727 0.000 0.821 286 A CB 1.020 19.175 19.000 -1.408 0.000 1.102 286 A HN 0.777 nan 8.150 nan 0.000 0.500 287 T N 2.193 116.457 114.554 -0.484 0.000 2.861 287 T HA 0.547 4.834 4.350 -0.105 0.000 0.287 287 T C -0.730 173.741 174.700 -0.382 0.000 1.003 287 T CA -0.094 61.780 62.100 -0.378 0.000 0.977 287 T CB 0.545 69.280 68.868 -0.222 0.000 0.996 287 T HN 0.342 nan 8.240 nan 0.000 0.448 288 F N 1.977 121.833 119.950 -0.157 0.000 2.399 288 F HA 0.611 5.075 4.527 -0.106 0.000 0.342 288 F C 0.540 176.225 175.800 -0.193 0.000 1.106 288 F CA -0.464 57.444 58.000 -0.153 0.000 1.196 288 F CB 0.880 39.814 39.000 -0.112 0.000 1.163 288 F HN 0.210 nan 8.300 nan 0.000 0.547 289 V N 4.142 124.030 119.914 -0.043 0.000 3.012 289 V HA 0.614 4.671 4.120 -0.105 0.000 0.307 289 V C -1.223 174.684 176.094 -0.311 0.000 1.166 289 V CA -0.791 61.334 62.300 -0.291 0.000 0.974 289 V CB 2.369 33.784 31.823 -0.681 0.000 1.040 289 V HN 0.773 nan 8.190 nan 0.000 0.428 290 R N 4.136 124.470 120.500 -0.277 0.000 2.561 290 R HA 0.552 4.829 4.340 -0.105 0.000 0.297 290 R C -1.759 174.466 176.300 -0.125 0.000 0.969 290 R CA -0.433 55.584 56.100 -0.138 0.000 0.879 290 R CB 2.134 32.460 30.300 0.043 0.000 1.178 290 R HN 0.602 nan 8.270 nan 0.000 0.445 291 F N 2.310 122.292 119.950 0.053 0.000 2.404 291 F HA 0.379 4.842 4.527 -0.106 0.000 0.339 291 F C 0.965 176.690 175.800 -0.125 0.000 1.105 291 F CA -0.134 57.856 58.000 -0.017 0.000 1.087 291 F CB 0.990 39.870 39.000 -0.201 0.000 1.143 291 F HN 0.205 nan 8.300 nan 0.000 0.491 292 H N 1.219 120.290 119.070 0.002 0.000 2.690 292 H HA 0.261 4.755 4.556 -0.103 0.000 0.368 292 H C -1.513 173.658 175.328 -0.261 0.000 1.150 292 H CA -1.003 54.950 56.048 -0.157 0.000 1.174 292 H CB 2.087 31.833 29.762 -0.028 0.000 1.684 292 H HN 0.696 nan 8.280 nan 0.000 0.538 293 W N 2.573 123.770 121.300 -0.172 0.000 2.499 293 W HA 0.269 4.864 4.660 -0.108 0.000 0.320 293 W C -0.219 176.319 176.519 0.031 0.000 1.010 293 W CA -0.737 56.535 57.345 -0.121 0.000 1.267 293 W CB 1.684 30.839 29.460 -0.508 0.000 1.316 293 W HN 0.238 nan 8.180 nan 0.000 0.431 294 K N 6.101 126.759 120.400 0.431 0.000 2.240 294 K HA 0.356 4.613 4.320 -0.105 0.000 0.271 294 K C -2.430 174.373 176.600 0.339 0.000 1.018 294 K CA -1.837 54.637 56.287 0.312 0.000 0.874 294 K CB 1.524 34.165 32.500 0.235 0.000 1.098 294 K HN 0.041 nan 8.250 nan 0.000 0.458 295 P HA 0.071 nan 4.420 nan 0.000 0.281 295 P C 0.330 177.634 177.300 0.006 0.000 1.286 295 P CA -0.126 63.026 63.100 0.085 0.000 0.772 295 P CB 0.750 32.520 31.700 0.116 0.000 0.862 296 L N 2.794 123.975 121.223 -0.070 0.000 2.465 296 L HA -0.058 4.219 4.340 -0.105 0.000 0.224 296 L C 2.274 179.122 176.870 -0.037 0.000 1.145 296 L CA 1.016 55.844 54.840 -0.019 0.000 0.834 296 L CB -0.611 41.448 42.059 0.001 0.000 0.944 296 L HN 0.328 nan 8.230 nan 0.000 0.451 297 A N 0.026 122.796 122.820 -0.084 0.000 2.208 297 A HA 0.395 4.652 4.320 -0.105 0.000 0.209 297 A C 1.322 178.899 177.584 -0.012 0.000 1.161 297 A CA 0.699 52.704 52.037 -0.053 0.000 0.782 297 A CB -0.455 18.496 19.000 -0.080 0.000 0.816 297 A HN 0.446 nan 8.150 nan 0.000 0.477 298 G N -0.723 108.083 108.800 0.010 0.000 2.756 298 G HA2 -0.141 3.756 3.960 -0.105 0.000 0.678 298 G HA3 -0.141 3.756 3.960 -0.105 0.000 0.678 298 G C -0.640 174.285 174.900 0.041 0.000 1.349 298 G CA -0.325 44.801 45.100 0.043 0.000 0.847 298 G HN 0.508 nan 8.290 nan 0.000 0.548 299 K N 0.100 120.531 120.400 0.052 0.000 2.156 299 K HA 0.745 5.002 4.320 -0.105 0.000 0.271 299 K C 0.237 176.833 176.600 -0.008 0.000 0.995 299 K CA 0.175 56.478 56.287 0.027 0.000 0.890 299 K CB 1.868 34.374 32.500 0.010 0.000 1.073 299 K HN 1.434 nan 8.250 nan 0.000 0.454 300 A N 1.604 124.414 122.820 -0.017 0.000 2.547 300 A HA 0.661 4.918 4.320 -0.105 0.000 0.297 300 A C -1.202 176.457 177.584 0.125 0.000 1.056 300 A CA -0.713 51.286 52.037 -0.063 0.000 0.688 300 A CB 1.717 20.487 19.000 -0.383 0.000 1.282 300 A HN 0.505 nan 8.150 nan 0.000 0.400 301 S N 0.718 116.660 115.700 0.404 0.000 2.569 301 S HA 0.679 5.087 4.470 -0.105 0.000 0.280 301 S C 0.012 174.922 174.600 0.515 0.000 1.111 301 S CA -0.647 57.802 58.200 0.416 0.000 0.887 301 S CB 1.230 64.656 63.200 0.376 0.000 1.095 301 S HN 0.664 nan 8.310 nan 0.000 0.476 302 L N 1.244 122.664 121.223 0.329 0.000 2.506 302 L HA 0.459 4.737 4.340 -0.105 0.000 0.199 302 L C 0.023 176.997 176.870 0.172 0.000 1.178 302 L CA -0.642 54.312 54.840 0.189 0.000 0.868 302 L CB -0.058 42.030 42.059 0.047 0.000 1.451 302 L HN 0.505 nan 8.230 nan 0.000 0.526 303 V N -3.715 116.197 119.914 -0.003 0.000 2.715 303 V HA 0.158 4.215 4.120 -0.105 0.000 0.310 303 V C 0.652 176.703 176.094 -0.073 0.000 1.054 303 V CA -0.937 61.334 62.300 -0.049 0.000 0.928 303 V CB 1.502 33.258 31.823 -0.111 0.000 1.007 303 V HN 0.906 nan 8.190 nan 0.000 0.437 304 W N 2.509 123.678 121.300 -0.218 0.000 2.290 304 W HA -0.324 4.272 4.660 -0.105 0.000 0.328 304 W C 1.809 178.178 176.519 -0.250 0.000 1.272 304 W CA 2.843 60.053 57.345 -0.224 0.000 1.262 304 W CB -0.081 29.226 29.460 -0.255 0.000 1.151 304 W HN 1.008 nan 8.180 nan 0.000 0.473 305 D N -0.083 120.029 120.400 -0.479 0.000 2.178 305 D HA -0.282 4.295 4.640 -0.105 0.000 0.201 305 D C 2.165 178.109 176.300 -0.594 0.000 0.980 305 D CA 2.018 55.677 54.000 -0.569 0.000 0.842 305 D CB -0.486 40.222 40.800 -0.153 0.000 0.948 305 D HN 0.418 nan 8.370 nan 0.000 0.472 306 E N -0.159 119.560 120.200 -0.801 0.000 2.051 306 E HA -0.234 4.053 4.350 -0.105 0.000 0.192 306 E C 2.051 178.313 176.600 -0.562 0.000 0.991 306 E CA 1.131 56.981 56.400 -0.917 0.000 0.799 306 E CB -0.263 28.813 29.700 -1.041 0.000 0.748 306 E HN 0.311 nan 8.360 nan 0.000 0.449 307 A N 1.253 123.783 122.820 -0.483 0.000 1.883 307 A HA -0.287 3.970 4.320 -0.105 0.000 0.217 307 A C 2.212 179.501 177.584 -0.493 0.000 1.186 307 A CA 1.996 53.806 52.037 -0.378 0.000 0.624 307 A CB -0.785 18.118 19.000 -0.161 0.000 0.822 307 A HN 0.507 nan 8.150 nan 0.000 0.444 308 Q N -0.788 118.508 119.800 -0.839 0.000 2.172 308 Q HA -0.124 4.153 4.340 -0.105 0.000 0.200 308 Q C 2.039 177.768 176.000 -0.453 0.000 0.964 308 Q CA 1.539 56.865 55.803 -0.795 0.000 0.855 308 Q CB -0.081 27.856 28.738 -1.334 0.000 0.918 308 Q HN 0.659 nan 8.270 nan 0.000 0.444 309 K N 0.004 120.148 120.400 -0.426 0.000 2.097 309 K HA -0.124 4.133 4.320 -0.105 0.000 0.205 309 K C 1.939 178.397 176.600 -0.237 0.000 1.050 309 K CA 0.784 56.914 56.287 -0.262 0.000 0.938 309 K CB -0.022 32.360 32.500 -0.197 0.000 0.718 309 K HN 0.140 nan 8.250 nan 0.000 0.442 310 L N 1.084 122.128 121.223 -0.298 0.000 2.275 310 L HA -0.118 4.160 4.340 -0.105 0.000 0.215 310 L C 2.028 178.770 176.870 -0.213 0.000 1.119 310 L CA 1.818 56.483 54.840 -0.293 0.000 0.790 310 L CB -0.714 41.084 42.059 -0.436 0.000 0.919 310 L HN 0.322 nan 8.230 nan 0.000 0.443 311 T N -4.946 109.491 114.554 -0.195 0.000 3.007 311 T HA -0.010 4.278 4.350 -0.105 0.000 0.270 311 T C 1.735 176.378 174.700 -0.095 0.000 1.107 311 T CA 0.845 62.870 62.100 -0.125 0.000 1.118 311 T CB -0.556 68.252 68.868 -0.099 0.000 0.889 311 T HN 0.360 nan 8.240 nan 0.000 0.506 312 G N 0.767 109.504 108.800 -0.106 0.000 2.576 312 G HA2 0.082 3.979 3.960 -0.105 0.000 0.210 312 G HA3 0.082 3.979 3.960 -0.105 0.000 0.210 312 G C 1.893 176.753 174.900 -0.066 0.000 1.143 312 G CA -0.394 44.660 45.100 -0.077 0.000 0.819 312 G HN 0.279 nan 8.290 nan 0.000 0.534 313 R N 0.168 120.621 120.500 -0.079 0.000 2.127 313 R HA 0.075 4.352 4.340 -0.105 0.000 0.217 313 R C -0.219 176.057 176.300 -0.039 0.000 1.074 313 R CA 0.717 56.783 56.100 -0.057 0.000 0.991 313 R CB 0.037 30.296 30.300 -0.068 0.000 0.895 313 R HN 0.284 nan 8.270 nan 0.000 0.450 314 D N -0.277 120.095 120.400 -0.047 0.000 2.668 314 D HA 0.152 4.729 4.640 -0.105 0.000 0.247 314 D C -2.052 174.253 176.300 0.008 0.000 1.268 314 D CA -1.784 52.218 54.000 0.004 0.000 0.842 314 D CB 1.162 42.008 40.800 0.077 0.000 1.399 314 D HN -0.153 nan 8.370 nan 0.000 0.530 315 P HA -0.050 nan 4.420 nan 0.000 0.223 315 P C 0.106 177.412 177.300 0.010 0.000 1.144 315 P CA 0.832 63.924 63.100 -0.014 0.000 0.783 315 P CB 0.459 32.147 31.700 -0.020 0.000 0.771 316 D N -1.699 118.717 120.400 0.027 0.000 2.463 316 D HA 0.076 4.653 4.640 -0.105 0.000 0.224 316 D C 1.230 177.559 176.300 0.049 0.000 1.174 316 D CA -0.464 53.553 54.000 0.029 0.000 0.829 316 D CB -0.513 40.283 40.800 -0.006 0.000 0.993 316 D HN 0.123 nan 8.370 nan 0.000 0.497 317 F N 1.481 121.375 119.950 -0.093 0.000 2.065 317 F HA -0.266 4.198 4.527 -0.105 0.000 0.298 317 F C 2.124 177.906 175.800 -0.031 0.000 1.112 317 F CA 1.926 59.871 58.000 -0.093 0.000 1.212 317 F CB -0.039 38.861 39.000 -0.168 0.000 0.975 317 F HN 0.104 nan 8.300 nan 0.000 0.476 318 H N -0.989 117.917 119.070 -0.272 0.000 2.389 318 H HA -0.127 4.366 4.556 -0.106 0.000 0.299 318 H C 2.398 177.529 175.328 -0.329 0.000 1.081 318 H CA 0.981 56.721 56.048 -0.513 0.000 1.345 318 H CB -0.120 29.223 29.762 -0.699 0.000 1.393 318 H HN 0.235 nan 8.280 nan 0.000 0.520 319 R N 1.241 121.772 120.500 0.052 0.000 2.075 319 R HA -0.116 4.162 4.340 -0.105 0.000 0.232 319 R C 2.433 178.803 176.300 0.116 0.000 1.126 319 R CA 1.177 57.380 56.100 0.172 0.000 0.963 319 R CB -0.012 30.402 30.300 0.190 0.000 0.858 319 R HN 0.198 nan 8.270 nan 0.000 0.435 320 R N 0.591 121.089 120.500 -0.004 0.000 2.070 320 R HA -0.203 4.074 4.340 -0.105 0.000 0.232 320 R C 2.218 178.503 176.300 -0.024 0.000 1.138 320 R CA 2.120 58.207 56.100 -0.020 0.000 0.936 320 R CB -0.291 29.970 30.300 -0.066 0.000 0.839 320 R HN 0.281 nan 8.270 nan 0.000 0.429 321 E N 0.527 120.595 120.200 -0.220 0.000 2.118 321 E HA -0.228 4.059 4.350 -0.105 0.000 0.195 321 E C 1.893 178.445 176.600 -0.080 0.000 0.992 321 E CA 1.443 57.701 56.400 -0.238 0.000 0.804 321 E CB -0.336 29.029 29.700 -0.559 0.000 0.741 321 E HN 0.355 nan 8.360 nan 0.000 0.458 322 L N 0.106 121.318 121.223 -0.017 0.000 2.005 322 L HA -0.080 4.197 4.340 -0.105 0.000 0.207 322 L C 2.202 179.166 176.870 0.157 0.000 1.072 322 L CA 2.081 56.965 54.840 0.073 0.000 0.744 322 L CB -0.985 41.176 42.059 0.170 0.000 0.895 322 L HN 0.424 nan 8.230 nan 0.000 0.433 323 W N 0.989 122.315 121.300 0.044 0.000 2.338 323 W HA -0.218 4.378 4.660 -0.107 0.000 0.304 323 W C 2.160 178.705 176.519 0.043 0.000 1.212 323 W CA 2.202 59.589 57.345 0.069 0.000 1.264 323 W CB -0.120 29.384 29.460 0.074 0.000 1.142 323 W HN 0.367 nan 8.180 nan 0.000 0.512 324 E N -0.142 120.244 120.200 0.311 0.000 2.208 324 E HA -0.096 4.191 4.350 -0.105 0.000 0.193 324 E C 2.349 178.979 176.600 0.050 0.000 0.988 324 E CA 0.871 57.374 56.400 0.171 0.000 0.828 324 E CB -0.274 29.479 29.700 0.089 0.000 0.763 324 E HN 0.181 nan 8.360 nan 0.000 0.478 325 A N 1.369 124.211 122.820 0.036 0.000 1.877 325 A HA -0.174 4.084 4.320 -0.105 0.000 0.216 325 A C 2.159 179.756 177.584 0.022 0.000 1.186 325 A CA 1.029 53.074 52.037 0.013 0.000 0.620 325 A CB -0.536 18.472 19.000 0.013 0.000 0.822 325 A HN 0.130 nan 8.150 nan 0.000 0.443 326 I N -0.420 120.190 120.570 0.067 0.000 2.226 326 I HA -0.256 3.852 4.170 -0.105 0.000 0.245 326 I C 2.505 178.685 176.117 0.105 0.000 1.100 326 I CA 1.554 62.943 61.300 0.148 0.000 1.374 326 I CB -0.423 37.608 38.000 0.052 0.000 1.057 326 I HN 0.441 nan 8.210 nan 0.000 0.413 327 E N 0.793 121.011 120.200 0.029 0.000 2.153 327 E HA -0.187 4.100 4.350 -0.105 0.000 0.194 327 E C 2.208 178.824 176.600 0.026 0.000 0.988 327 E CA 1.213 57.641 56.400 0.047 0.000 0.811 327 E CB -0.122 29.642 29.700 0.106 0.000 0.746 327 E HN 0.502 nan 8.360 nan 0.000 0.466 328 A N 0.273 123.081 122.820 -0.021 0.000 2.168 328 A HA 0.116 4.374 4.320 -0.105 0.000 0.215 328 A C 1.816 179.335 177.584 -0.109 0.000 1.152 328 A CA 1.069 53.072 52.037 -0.058 0.000 0.716 328 A CB -0.332 18.605 19.000 -0.106 0.000 0.794 328 A HN 0.358 nan 8.150 nan 0.000 0.465 329 G N -0.554 108.110 108.800 -0.226 0.000 2.143 329 G HA2 -0.198 3.699 3.960 -0.105 0.000 0.249 329 G HA3 -0.198 3.699 3.960 -0.105 0.000 0.249 329 G C -0.226 174.153 174.900 -0.868 0.000 0.981 329 G CA 0.245 44.904 45.100 -0.736 0.000 0.665 329 G HN 0.472 nan 8.290 nan 0.000 0.528 330 D N 0.925 121.084 120.400 -0.401 0.000 2.845 330 D HA 0.249 4.826 4.640 -0.105 0.000 0.235 330 D C 0.854 177.075 176.300 -0.131 0.000 1.158 330 D CA -0.166 53.698 54.000 -0.227 0.000 0.990 330 D CB -0.679 40.097 40.800 -0.040 0.000 1.094 330 D HN 0.453 nan 8.370 nan 0.000 0.486 331 F N 1.338 121.287 119.950 -0.001 0.000 2.612 331 F HA 0.064 4.528 4.527 -0.104 0.000 0.389 331 F C -1.420 174.346 175.800 -0.058 0.000 1.055 331 F CA -1.840 56.150 58.000 -0.018 0.000 1.232 331 F CB -0.208 38.792 39.000 0.001 0.000 1.044 331 F HN -0.089 nan 8.300 nan 0.000 0.560 332 P HA 0.038 nan 4.420 nan 0.000 0.262 332 P C -1.020 176.201 177.300 -0.132 0.000 1.199 332 P CA 0.338 63.404 63.100 -0.057 0.000 0.763 332 P CB 0.473 32.218 31.700 0.074 0.000 0.790 333 E N 2.529 122.515 120.200 -0.357 0.000 2.248 333 E HA 0.453 4.741 4.350 -0.105 0.000 0.267 333 E C -1.088 175.235 176.600 -0.463 0.000 0.877 333 E CA -0.592 55.669 56.400 -0.233 0.000 0.759 333 E CB 1.514 31.178 29.700 -0.058 0.000 1.182 333 E HN 0.382 nan 8.360 nan 0.000 0.418 334 Y N 0.335 120.685 120.300 0.083 0.000 2.457 334 Y HA 0.255 4.743 4.550 -0.102 0.000 0.343 334 Y C -0.206 175.887 175.900 0.320 0.000 0.994 334 Y CA -0.959 57.249 58.100 0.179 0.000 1.031 334 Y CB 1.968 40.492 38.460 0.106 0.000 1.246 334 Y HN 0.449 nan 8.280 nan 0.000 0.449 335 E N 2.511 122.998 120.200 0.479 0.000 2.200 335 E HA 0.330 4.617 4.350 -0.105 0.000 0.283 335 E C -1.262 175.627 176.600 0.482 0.000 1.015 335 E CA -0.914 55.733 56.400 0.411 0.000 0.819 335 E CB 0.934 30.810 29.700 0.293 0.000 1.081 335 E HN 0.535 nan 8.360 nan 0.000 0.397 336 L N 4.193 125.660 121.223 0.407 0.000 2.410 336 L HA 0.422 4.700 4.340 -0.105 0.000 0.273 336 L C -0.030 176.809 176.870 -0.052 0.000 1.152 336 L CA 0.655 55.510 54.840 0.026 0.000 0.855 336 L CB 0.864 42.877 42.059 -0.077 0.000 1.129 336 L HN 0.532 nan 8.230 nan 0.000 0.463 337 G N 4.715 113.509 108.800 -0.009 0.000 2.571 337 G HA2 0.565 4.463 3.960 -0.105 0.000 0.304 337 G HA3 0.565 4.463 3.960 -0.105 0.000 0.304 337 G C -1.535 173.519 174.900 0.257 0.000 1.314 337 G CA -0.517 44.599 45.100 0.026 0.000 0.975 337 G HN 0.473 nan 8.290 nan 0.000 0.485 338 F N 0.261 120.204 119.950 -0.011 0.000 2.507 338 F HA 0.380 4.844 4.527 -0.104 0.000 0.325 338 F C 0.353 176.120 175.800 -0.056 0.000 1.116 338 F CA -0.953 57.025 58.000 -0.038 0.000 0.930 338 F CB 2.609 41.565 39.000 -0.073 0.000 1.146 338 F HN 0.132 nan 8.300 nan 0.000 0.447 339 Q N 4.556 124.440 119.800 0.140 0.000 2.360 339 Q HA 0.430 4.707 4.340 -0.105 0.000 0.254 339 Q C -0.937 175.086 176.000 0.039 0.000 0.975 339 Q CA -0.421 55.425 55.803 0.072 0.000 0.912 339 Q CB 1.837 30.633 28.738 0.096 0.000 1.212 339 Q HN 0.538 nan 8.270 nan 0.000 0.452 340 L N 4.405 125.662 121.223 0.056 0.000 2.282 340 L HA 0.512 4.789 4.340 -0.105 0.000 0.288 340 L C -0.651 176.264 176.870 0.075 0.000 1.033 340 L CA -0.777 54.086 54.840 0.038 0.000 0.807 340 L CB 0.908 42.998 42.059 0.051 0.000 1.209 340 L HN 0.509 nan 8.230 nan 0.000 0.423 341 I N 4.941 125.571 120.570 0.100 0.000 2.439 341 I HA 0.362 4.469 4.170 -0.105 0.000 0.285 341 I C -2.270 173.955 176.117 0.179 0.000 1.021 341 I CA -1.902 59.502 61.300 0.175 0.000 1.091 341 I CB 1.702 39.836 38.000 0.223 0.000 1.242 341 I HN 0.299 nan 8.210 nan 0.000 0.439 342 P HA 0.009 nan 4.420 nan 0.000 0.266 342 P C 0.860 178.226 177.300 0.111 0.000 1.195 342 P CA 0.016 63.151 63.100 0.059 0.000 0.768 342 P CB 0.797 32.524 31.700 0.044 0.000 0.838 343 E N 2.052 122.233 120.200 -0.032 0.000 2.114 343 E HA -0.312 3.975 4.350 -0.105 0.000 0.199 343 E C 0.997 177.691 176.600 0.158 0.000 1.008 343 E CA 1.758 58.143 56.400 -0.024 0.000 0.810 343 E CB -0.030 29.586 29.700 -0.140 0.000 0.739 343 E HN 0.446 nan 8.360 nan 0.000 0.456 344 E N 0.547 120.803 120.200 0.093 0.000 2.265 344 E HA -0.150 4.137 4.350 -0.105 0.000 0.196 344 E C 1.015 177.670 176.600 0.092 0.000 0.996 344 E CA 1.232 57.688 56.400 0.094 0.000 0.832 344 E CB 0.004 29.737 29.700 0.055 0.000 0.756 344 E HN 0.299 nan 8.360 nan 0.000 0.491 345 D N 0.087 120.542 120.400 0.090 0.000 2.328 345 D HA -0.031 4.546 4.640 -0.105 0.000 0.226 345 D C 1.292 177.602 176.300 0.017 0.000 1.066 345 D CA 0.124 54.147 54.000 0.039 0.000 0.861 345 D CB -0.018 40.821 40.800 0.065 0.000 0.912 345 D HN 0.297 nan 8.370 nan 0.000 0.521 346 E N -0.041 120.143 120.200 -0.027 0.000 2.065 346 E HA -0.217 4.070 4.350 -0.105 0.000 0.201 346 E C 0.372 176.630 176.600 -0.570 0.000 1.016 346 E CA 1.196 57.365 56.400 -0.386 0.000 0.818 346 E CB -0.025 29.297 29.700 -0.630 0.000 0.749 346 E HN 0.266 nan 8.360 nan 0.000 0.453 347 F N -0.218 119.727 119.950 -0.009 0.000 2.730 347 F HA 0.288 4.752 4.527 -0.105 0.000 0.295 347 F C 1.262 176.995 175.800 -0.112 0.000 1.143 347 F CA -0.194 57.778 58.000 -0.046 0.000 1.367 347 F CB 0.483 39.465 39.000 -0.029 0.000 0.970 347 F HN -0.159 nan 8.300 nan 0.000 0.514 348 K N -0.127 120.200 120.400 -0.121 0.000 2.444 348 K HA 0.118 4.375 4.320 -0.105 0.000 0.193 348 K C -0.046 176.192 176.600 -0.603 0.000 1.024 348 K CA 0.308 56.380 56.287 -0.358 0.000 1.077 348 K CB 0.190 32.408 32.500 -0.469 0.000 0.833 348 K HN 0.134 nan 8.250 nan 0.000 0.517 349 F N 0.434 120.230 119.950 -0.257 0.000 2.461 349 F HA 0.106 4.571 4.527 -0.103 0.000 0.337 349 F C 1.163 176.796 175.800 -0.279 0.000 1.079 349 F CA -1.150 56.624 58.000 -0.377 0.000 1.032 349 F CB 0.528 38.959 39.000 -0.950 0.000 1.327 349 F HN -0.014 nan 8.300 nan 0.000 0.491 350 D N -0.669 119.764 120.400 0.054 0.000 2.358 350 D HA 0.116 4.693 4.640 -0.105 0.000 0.224 350 D C -0.605 175.812 176.300 0.195 0.000 1.123 350 D CA 0.031 54.103 54.000 0.119 0.000 0.833 350 D CB -0.837 40.057 40.800 0.158 0.000 0.946 350 D HN 0.255 nan 8.370 nan 0.000 0.505 351 F N -2.099 117.921 119.950 0.116 0.000 2.650 351 F HA 0.540 5.004 4.527 -0.106 0.000 0.320 351 F C -0.564 175.224 175.800 -0.020 0.000 1.091 351 F CA -1.640 56.356 58.000 -0.007 0.000 0.962 351 F CB 0.957 39.904 39.000 -0.089 0.000 1.363 351 F HN -0.322 nan 8.300 nan 0.000 0.482 352 D N 1.656 122.092 120.400 0.061 0.000 2.256 352 D HA 0.215 4.792 4.640 -0.105 0.000 0.250 352 D C 1.008 177.264 176.300 -0.072 0.000 1.093 352 D CA -0.093 53.876 54.000 -0.051 0.000 0.882 352 D CB 1.625 42.389 40.800 -0.060 0.000 1.185 352 D HN 0.710 nan 8.370 nan 0.000 0.437 353 L N 3.352 124.454 121.223 -0.201 0.000 2.131 353 L HA -0.127 4.151 4.340 -0.105 0.000 0.210 353 L C 2.035 178.787 176.870 -0.197 0.000 1.092 353 L CA 0.778 55.478 54.840 -0.234 0.000 0.759 353 L CB -0.080 41.688 42.059 -0.485 0.000 0.903 353 L HN 0.477 nan 8.230 nan 0.000 0.435 354 L N -0.597 120.523 121.223 -0.171 0.000 2.610 354 L HA -0.014 4.263 4.340 -0.105 0.000 0.232 354 L C 0.402 177.191 176.870 -0.135 0.000 1.149 354 L CA 0.013 54.813 54.840 -0.067 0.000 0.872 354 L CB -0.436 41.675 42.059 0.086 0.000 0.992 354 L HN 0.154 nan 8.230 nan 0.000 0.447 355 D N 1.653 121.771 120.400 -0.471 0.000 2.359 355 D HA 0.122 4.699 4.640 -0.105 0.000 0.230 355 D C -1.550 174.539 176.300 -0.351 0.000 1.118 355 D CA -2.446 51.052 54.000 -0.836 0.000 0.844 355 D CB 1.486 41.472 40.800 -1.357 0.000 1.059 355 D HN -0.095 nan 8.370 nan 0.000 0.493 356 P HA -0.051 nan 4.420 nan 0.000 0.242 356 P C 0.705 177.921 177.300 -0.140 0.000 1.197 356 P CA 0.625 63.663 63.100 -0.104 0.000 0.765 356 P CB -0.042 31.680 31.700 0.037 0.000 0.936 357 T N -4.598 109.862 114.554 -0.157 0.000 3.069 357 T HA 0.189 4.477 4.350 -0.105 0.000 0.252 357 T C 0.671 175.298 174.700 -0.121 0.000 1.053 357 T CA -0.219 61.807 62.100 -0.123 0.000 0.964 357 T CB -0.070 68.765 68.868 -0.056 0.000 1.005 357 T HN -0.142 nan 8.240 nan 0.000 0.532 358 K N 2.046 122.285 120.400 -0.268 0.000 2.270 358 K HA 0.594 4.851 4.320 -0.105 0.000 0.255 358 K C -0.386 176.044 176.600 -0.284 0.000 0.936 358 K CA -0.817 55.196 56.287 -0.457 0.000 0.809 358 K CB 2.365 34.436 32.500 -0.715 0.000 1.131 358 K HN 0.280 nan 8.250 nan 0.000 0.427 359 L N -0.555 120.626 121.223 -0.070 0.000 2.376 359 L HA 0.676 4.953 4.340 -0.105 0.000 0.267 359 L C -0.034 176.665 176.870 -0.284 0.000 1.035 359 L CA -0.507 54.248 54.840 -0.142 0.000 0.800 359 L CB 0.344 42.389 42.059 -0.023 0.000 1.290 359 L HN 0.463 nan 8.230 nan 0.000 0.462 360 I N 1.249 121.750 120.570 -0.114 0.000 2.371 360 I HA 0.366 4.473 4.170 -0.105 0.000 0.282 360 I C -2.211 173.932 176.117 0.043 0.000 1.031 360 I CA -1.739 59.543 61.300 -0.029 0.000 1.180 360 I CB 1.228 39.222 38.000 -0.010 0.000 1.336 360 I HN 0.454 nan 8.210 nan 0.000 0.467 361 P HA 0.014 nan 4.420 nan 0.000 0.262 361 P C 0.355 177.720 177.300 0.109 0.000 1.182 361 P CA 0.203 63.350 63.100 0.078 0.000 0.761 361 P CB 0.643 32.378 31.700 0.059 0.000 0.795 362 E N 1.667 121.938 120.200 0.119 0.000 2.268 362 E HA -0.187 4.101 4.350 -0.105 0.000 0.195 362 E C 1.487 178.140 176.600 0.088 0.000 0.995 362 E CA 0.695 57.153 56.400 0.097 0.000 0.836 362 E CB -0.013 29.743 29.700 0.094 0.000 0.763 362 E HN 0.495 nan 8.360 nan 0.000 0.491 363 E N 0.595 120.848 120.200 0.089 0.000 2.085 363 E HA -0.179 4.108 4.350 -0.105 0.000 0.194 363 E C 2.111 178.775 176.600 0.106 0.000 0.994 363 E CA 0.877 57.327 56.400 0.083 0.000 0.801 363 E CB -0.056 29.688 29.700 0.074 0.000 0.743 363 E HN 0.355 nan 8.360 nan 0.000 0.453 364 L N -0.154 121.156 121.223 0.145 0.000 2.095 364 L HA 0.000 4.277 4.340 -0.105 0.000 0.204 364 L C 0.682 177.680 176.870 0.213 0.000 1.080 364 L CA 0.654 55.621 54.840 0.212 0.000 0.759 364 L CB 0.229 42.495 42.059 0.345 0.000 0.914 364 L HN -0.158 nan 8.230 nan 0.000 0.439 365 V N 1.303 121.318 119.914 0.169 0.000 2.445 365 V HA 0.296 4.353 4.120 -0.105 0.000 0.283 365 V C -2.382 173.761 176.094 0.082 0.000 1.014 365 V CA -1.365 61.017 62.300 0.138 0.000 0.852 365 V CB 1.562 33.466 31.823 0.135 0.000 1.021 365 V HN -0.004 nan 8.190 nan 0.000 0.435 366 P HA 0.228 nan 4.420 nan 0.000 0.274 366 P C -0.336 176.961 177.300 -0.006 0.000 1.231 366 P CA -0.073 63.046 63.100 0.032 0.000 0.790 366 P CB 1.471 33.195 31.700 0.040 0.000 0.951 367 V N 3.187 123.061 119.914 -0.066 0.000 2.455 367 V HA 0.098 4.155 4.120 -0.105 0.000 0.273 367 V C 0.889 176.963 176.094 -0.033 0.000 1.045 367 V CA 0.020 62.244 62.300 -0.126 0.000 0.976 367 V CB 0.266 31.900 31.823 -0.314 0.000 0.993 367 V HN 0.565 nan 8.190 nan 0.000 0.475 368 Q N 5.971 125.773 119.800 0.003 0.000 2.296 368 Q HA 0.318 4.596 4.340 -0.105 0.000 0.257 368 Q C -0.123 175.861 176.000 -0.027 0.000 0.942 368 Q CA -0.695 55.114 55.803 0.010 0.000 0.939 368 Q CB 0.638 29.394 28.738 0.030 0.000 1.198 368 Q HN 0.669 nan 8.270 nan 0.000 0.429 369 R N 2.782 123.297 120.500 0.024 0.000 2.484 369 R HA 0.040 4.318 4.340 -0.105 0.000 0.293 369 R C 0.207 176.490 176.300 -0.028 0.000 1.023 369 R CA -0.194 55.946 56.100 0.065 0.000 1.037 369 R CB 0.674 31.116 30.300 0.238 0.000 0.951 369 R HN 0.501 nan 8.270 nan 0.000 0.418 370 V N 1.507 121.271 119.914 -0.250 0.000 3.572 370 V HA 0.276 4.333 4.120 -0.105 0.000 0.260 370 V C 0.693 176.447 176.094 -0.567 0.000 1.324 370 V CA 1.068 63.129 62.300 -0.399 0.000 1.068 370 V CB 1.108 32.458 31.823 -0.787 0.000 0.837 370 V HN 1.053 nan 8.190 nan 0.000 0.450 371 G N 0.048 108.345 108.800 -0.838 0.000 2.349 371 G HA2 0.465 4.362 3.960 -0.105 0.000 0.294 371 G HA3 0.465 4.362 3.960 -0.105 0.000 0.294 371 G C -1.759 172.824 174.900 -0.528 0.000 1.380 371 G CA -0.468 43.996 45.100 -1.060 0.000 0.811 371 G HN 0.118 nan 8.290 nan 0.000 0.519 372 K N -0.924 119.294 120.400 -0.303 0.000 2.375 372 K HA 0.797 5.054 4.320 -0.105 0.000 0.249 372 K C -0.839 175.873 176.600 0.186 0.000 0.942 372 K CA -0.893 55.464 56.287 0.116 0.000 0.806 372 K CB 2.260 34.877 32.500 0.195 0.000 1.227 372 K HN 0.677 nan 8.250 nan 0.000 0.430 373 M N 4.211 123.997 119.600 0.310 0.000 2.383 373 M HA 0.431 4.848 4.480 -0.105 0.000 0.325 373 M C -1.816 174.462 176.300 -0.038 0.000 1.092 373 M CA -0.748 54.652 55.300 0.167 0.000 0.961 373 M CB 1.918 34.581 32.600 0.106 0.000 1.672 373 M HN 0.416 nan 8.290 nan 0.000 0.438 374 V N 5.634 125.378 119.914 -0.284 0.000 2.487 374 V HA 0.451 4.508 4.120 -0.105 0.000 0.298 374 V C -0.908 175.074 176.094 -0.187 0.000 1.028 374 V CA -0.858 61.297 62.300 -0.242 0.000 0.860 374 V CB 1.727 33.299 31.823 -0.419 0.000 0.991 374 V HN 0.664 nan 8.190 nan 0.000 0.427 375 L N 5.852 127.043 121.223 -0.053 0.000 2.257 375 L HA 0.477 4.754 4.340 -0.105 0.000 0.290 375 L C 0.688 177.473 176.870 -0.142 0.000 1.044 375 L CA 0.145 54.950 54.840 -0.059 0.000 0.810 375 L CB 0.970 43.034 42.059 0.009 0.000 1.193 375 L HN 0.904 nan 8.230 nan 0.000 0.425 376 N N 1.609 120.126 118.700 -0.305 0.000 2.160 376 N HA 0.121 4.798 4.740 -0.105 0.000 0.226 376 N C 0.066 175.379 175.510 -0.328 0.000 1.256 376 N CA -0.227 52.377 53.050 -0.742 0.000 0.890 376 N CB 0.779 38.550 38.487 -1.193 0.000 1.116 376 N HN 0.293 nan 8.380 nan 0.000 0.517 377 R N 0.752 121.176 120.500 -0.127 0.000 2.510 377 R HA 0.319 4.596 4.340 -0.105 0.000 0.287 377 R C -1.210 175.053 176.300 -0.062 0.000 1.084 377 R CA -0.421 55.629 56.100 -0.083 0.000 0.934 377 R CB 1.246 31.508 30.300 -0.063 0.000 1.201 377 R HN 0.105 nan 8.270 nan 0.000 0.431 378 N N 3.042 121.590 118.700 -0.254 0.000 2.399 378 N HA 0.296 4.973 4.740 -0.105 0.000 0.250 378 N C -2.216 173.237 175.510 -0.095 0.000 1.272 378 N CA -1.251 51.535 53.050 -0.440 0.000 0.928 378 N CB 0.337 37.969 38.487 -1.425 0.000 1.158 378 N HN 0.255 nan 8.380 nan 0.000 0.463 379 P HA 0.127 nan 4.420 nan 0.000 0.274 379 P C 0.174 177.635 177.300 0.269 0.000 1.260 379 P CA -0.086 63.178 63.100 0.274 0.000 0.793 379 P CB 0.806 32.711 31.700 0.341 0.000 1.048 380 D N -1.336 119.209 120.400 0.242 0.000 2.323 380 D HA 0.003 4.580 4.640 -0.105 0.000 0.218 380 D C 0.313 176.781 176.300 0.280 0.000 0.973 380 D CA 1.240 55.382 54.000 0.237 0.000 0.890 380 D CB 0.202 41.087 40.800 0.142 0.000 1.011 380 D HN 0.362 nan 8.370 nan 0.000 0.499 381 N N -0.163 118.695 118.700 0.264 0.000 2.410 381 N HA 0.014 4.692 4.740 -0.105 0.000 0.287 381 N C 0.032 175.741 175.510 0.332 0.000 1.044 381 N CA -0.344 52.877 53.050 0.287 0.000 0.881 381 N CB 1.612 40.241 38.487 0.235 0.000 1.405 381 N HN -0.189 nan 8.380 nan 0.000 0.490 382 F N 4.375 124.474 119.950 0.248 0.000 2.065 382 F HA -0.200 4.264 4.527 -0.105 0.000 0.298 382 F C 1.724 177.648 175.800 0.206 0.000 1.112 382 F CA 1.660 59.805 58.000 0.242 0.000 1.212 382 F CB -0.180 38.941 39.000 0.202 0.000 0.975 382 F HN 0.625 nan 8.300 nan 0.000 0.476 383 F N 0.842 121.027 119.950 0.392 0.000 2.026 383 F HA -0.227 4.238 4.527 -0.103 0.000 0.296 383 F C 2.403 178.265 175.800 0.103 0.000 1.133 383 F CA 2.141 60.290 58.000 0.249 0.000 1.188 383 F CB -1.027 38.095 39.000 0.203 0.000 0.968 383 F HN 0.017 nan 8.300 nan 0.000 0.476 384 A N -0.453 122.478 122.820 0.185 0.000 1.940 384 A HA -0.209 4.048 4.320 -0.105 0.000 0.219 384 A C 2.004 179.522 177.584 -0.109 0.000 1.176 384 A CA 2.204 54.264 52.037 0.040 0.000 0.631 384 A CB -0.710 18.377 19.000 0.147 0.000 0.814 384 A HN 0.654 nan 8.150 nan 0.000 0.446 385 E N -1.701 118.446 120.200 -0.089 0.000 2.256 385 E HA -0.038 4.250 4.350 -0.105 0.000 0.198 385 E C 1.932 178.434 176.600 -0.164 0.000 0.908 385 E CA 0.362 56.644 56.400 -0.197 0.000 0.915 385 E CB -0.117 29.491 29.700 -0.153 0.000 0.890 385 E HN 0.559 nan 8.360 nan 0.000 0.484 386 N N 1.487 120.093 118.700 -0.157 0.000 2.176 386 N HA -0.155 4.522 4.740 -0.105 0.000 0.187 386 N C 1.825 177.174 175.510 -0.269 0.000 1.043 386 N CA 1.359 54.278 53.050 -0.219 0.000 0.851 386 N CB 0.016 38.038 38.487 -0.776 0.000 1.018 386 N HN -0.083 nan 8.380 nan 0.000 0.436 387 E N 0.853 120.830 120.200 -0.372 0.000 2.097 387 E HA -0.146 4.142 4.350 -0.105 0.000 0.196 387 E C 1.673 178.094 176.600 -0.299 0.000 1.000 387 E CA 1.601 57.847 56.400 -0.257 0.000 0.804 387 E CB -0.203 29.352 29.700 -0.242 0.000 0.740 387 E HN 0.513 nan 8.360 nan 0.000 0.454 388 Q N -0.494 119.068 119.800 -0.396 0.000 2.444 388 Q HA 0.234 4.512 4.340 -0.105 0.000 0.206 388 Q C -0.044 175.852 176.000 -0.173 0.000 0.948 388 Q CA 0.194 55.817 55.803 -0.299 0.000 0.946 388 Q CB 0.455 28.994 28.738 -0.331 0.000 1.027 388 Q HN 0.214 nan 8.270 nan 0.000 0.513 389 A N 1.095 123.833 122.820 -0.137 0.000 2.462 389 A HA 0.479 4.736 4.320 -0.105 0.000 0.243 389 A C -0.179 177.322 177.584 -0.137 0.000 1.076 389 A CA 0.164 52.114 52.037 -0.146 0.000 0.773 389 A CB 0.296 19.285 19.000 -0.018 0.000 1.010 389 A HN 0.264 nan 8.150 nan 0.000 0.493 390 A N 2.023 124.712 122.820 -0.217 0.000 2.335 390 A HA 0.729 4.987 4.320 -0.105 0.000 0.304 390 A C -0.888 176.617 177.584 -0.130 0.000 1.118 390 A CA -0.403 51.583 52.037 -0.084 0.000 0.757 390 A CB 0.495 19.495 19.000 0.000 0.000 1.188 390 A HN 0.662 nan 8.150 nan 0.000 0.460 391 F N 1.718 121.701 119.950 0.055 0.000 2.522 391 F HA 0.623 5.082 4.527 -0.113 0.000 0.324 391 F C 0.276 176.025 175.800 -0.086 0.000 1.077 391 F CA -0.310 57.693 58.000 0.005 0.000 0.944 391 F CB 2.075 41.042 39.000 -0.054 0.000 1.175 391 F HN 0.667 nan 8.300 nan 0.000 0.468 392 H N 3.959 122.886 119.070 -0.238 0.000 2.877 392 H HA 0.313 4.823 4.556 -0.077 0.000 0.347 392 H C -2.362 172.654 175.328 -0.520 0.000 1.042 392 H CA -2.790 52.862 56.048 -0.660 0.000 1.276 392 H CB 2.791 31.932 29.762 -1.035 0.000 1.681 392 H HN 0.190 nan 8.280 nan 0.000 0.521 393 P HA -0.061 nan 4.420 nan 0.000 0.220 393 P C 1.290 178.638 177.300 0.080 0.000 1.148 393 P CA 1.448 64.526 63.100 -0.037 0.000 0.803 393 P CB 0.026 31.692 31.700 -0.056 0.000 0.782 394 G N -1.122 107.538 108.800 -0.233 0.000 2.559 394 G HA2 -0.182 3.715 3.960 -0.105 0.000 0.216 394 G HA3 -0.182 3.715 3.960 -0.105 0.000 0.216 394 G C 0.482 175.273 174.900 -0.181 0.000 1.126 394 G CA 0.100 44.961 45.100 -0.398 0.000 0.778 394 G HN 0.435 nan 8.290 nan 0.000 0.543 395 H N 0.738 119.683 119.070 -0.207 0.000 3.092 395 H HA 0.338 4.837 4.556 -0.094 0.000 0.263 395 H C 0.590 175.939 175.328 0.035 0.000 1.611 395 H CA -0.801 55.189 56.048 -0.096 0.000 1.457 395 H CB -0.096 29.633 29.762 -0.054 0.000 1.731 395 H HN 0.365 nan 8.280 nan 0.000 0.532 396 I N -0.406 120.203 120.570 0.064 0.000 3.100 396 I HA 0.674 4.781 4.170 -0.105 0.000 0.312 396 I C -0.075 175.978 176.117 -0.105 0.000 1.063 396 I CA -1.390 59.889 61.300 -0.035 0.000 1.031 396 I CB 1.845 39.719 38.000 -0.209 0.000 1.243 396 I HN 0.104 nan 8.210 nan 0.000 0.483 397 V N -1.983 117.878 119.914 -0.089 0.000 3.102 397 V HA 0.671 4.729 4.120 -0.105 0.000 0.312 397 V C -2.854 173.335 176.094 0.159 0.000 1.135 397 V CA -2.576 59.744 62.300 0.033 0.000 1.022 397 V CB 1.065 32.900 31.823 0.020 0.000 1.056 397 V HN 0.632 nan 8.190 nan 0.000 0.436 398 P HA 0.356 nan 4.420 nan 0.000 0.262 398 P C 0.911 178.197 177.300 -0.024 0.000 1.182 398 P CA 2.015 65.165 63.100 0.085 0.000 0.761 398 P CB 0.638 32.370 31.700 0.055 0.000 0.795 399 G N 1.791 110.527 108.800 -0.107 0.000 2.238 399 G HA2 -0.159 3.738 3.960 -0.105 0.000 0.217 399 G HA3 -0.159 3.738 3.960 -0.105 0.000 0.217 399 G C -0.281 174.520 174.900 -0.166 0.000 0.996 399 G CA -0.427 44.595 45.100 -0.130 0.000 0.632 399 G HN 0.456 nan 8.290 nan 0.000 0.503 400 L N 0.256 121.393 121.223 -0.144 0.000 2.354 400 L HA 0.882 5.159 4.340 -0.105 0.000 0.264 400 L C -0.781 176.018 176.870 -0.117 0.000 1.008 400 L CA -1.038 53.694 54.840 -0.180 0.000 0.819 400 L CB 2.155 44.026 42.059 -0.312 0.000 1.339 400 L HN 0.096 nan 8.230 nan 0.000 0.420 401 D N -0.451 119.869 120.400 -0.135 0.000 2.615 401 D HA 0.460 5.037 4.640 -0.105 0.000 0.267 401 D C -0.873 175.347 176.300 -0.134 0.000 1.236 401 D CA -0.355 53.535 54.000 -0.183 0.000 0.839 401 D CB 2.040 42.800 40.800 -0.068 0.000 1.380 401 D HN 0.097 nan 8.370 nan 0.000 0.433 402 F N -0.131 119.932 119.950 0.189 0.000 2.181 402 F HA 0.467 4.939 4.527 -0.090 0.000 0.285 402 F C 1.588 177.404 175.800 0.028 0.000 1.134 402 F CA -0.081 57.965 58.000 0.076 0.000 1.139 402 F CB 0.427 39.431 39.000 0.007 0.000 1.614 402 F HN 0.244 nan 8.300 nan 0.000 0.519 403 T N -3.466 111.186 114.554 0.164 0.000 2.778 403 T HA 0.293 4.580 4.350 -0.105 0.000 0.293 403 T C -0.186 174.548 174.700 0.056 0.000 1.144 403 T CA -1.001 61.172 62.100 0.122 0.000 1.010 403 T CB 1.169 70.093 68.868 0.094 0.000 1.325 403 T HN 0.307 nan 8.240 nan 0.000 0.515 404 N N 1.109 119.846 118.700 0.062 0.000 2.461 404 N HA 0.049 4.726 4.740 -0.105 0.000 0.188 404 N C 0.132 175.654 175.510 0.019 0.000 1.134 404 N CA 0.147 53.217 53.050 0.034 0.000 0.878 404 N CB -0.439 38.083 38.487 0.059 0.000 0.972 404 N HN 0.712 nan 8.380 nan 0.000 0.456 405 D N 2.211 122.608 120.400 -0.004 0.000 2.662 405 D HA -0.083 4.494 4.640 -0.105 0.000 0.237 405 D C -1.462 174.837 176.300 -0.002 0.000 1.154 405 D CA -0.937 53.083 54.000 0.033 0.000 0.861 405 D CB 1.249 42.024 40.800 -0.042 0.000 1.146 405 D HN 0.122 nan 8.370 nan 0.000 0.518 406 P HA -0.106 nan 4.420 nan 0.000 0.226 406 P C 1.454 178.784 177.300 0.049 0.000 1.153 406 P CA 0.221 63.353 63.100 0.053 0.000 0.777 406 P CB 0.298 32.036 31.700 0.065 0.000 0.794 407 L N -0.556 120.715 121.223 0.080 0.000 2.127 407 L HA 0.040 4.317 4.340 -0.105 0.000 0.203 407 L C 2.215 179.034 176.870 -0.084 0.000 1.080 407 L CA 1.299 56.192 54.840 0.089 0.000 0.768 407 L CB -1.512 40.690 42.059 0.239 0.000 0.924 407 L HN -0.157 nan 8.230 nan 0.000 0.444 408 L N -0.783 120.196 121.223 -0.407 0.000 2.056 408 L HA -0.157 4.120 4.340 -0.105 0.000 0.207 408 L C 2.382 179.013 176.870 -0.398 0.000 1.078 408 L CA 1.659 56.042 54.840 -0.762 0.000 0.749 408 L CB -0.887 40.306 42.059 -1.444 0.000 0.901 408 L HN 0.317 nan 8.230 nan 0.000 0.433 409 Q N 0.192 119.817 119.800 -0.291 0.000 2.077 409 Q HA -0.172 4.106 4.340 -0.105 0.000 0.206 409 Q C 2.117 178.016 176.000 -0.169 0.000 0.989 409 Q CA 1.930 57.590 55.803 -0.237 0.000 0.853 409 Q CB -0.914 27.737 28.738 -0.145 0.000 0.907 409 Q HN 0.706 nan 8.270 nan 0.000 0.418 410 G N 0.432 109.188 108.800 -0.073 0.000 2.448 410 G HA2 -0.215 3.682 3.960 -0.105 0.000 0.218 410 G HA3 -0.215 3.682 3.960 -0.105 0.000 0.218 410 G C 1.467 176.384 174.900 0.028 0.000 1.135 410 G CA 0.122 45.238 45.100 0.027 0.000 0.784 410 G HN 0.252 nan 8.290 nan 0.000 0.543 411 R N -0.264 120.215 120.500 -0.036 0.000 2.200 411 R HA 0.042 4.319 4.340 -0.105 0.000 0.234 411 R C 1.954 178.341 176.300 0.145 0.000 1.127 411 R CA 0.597 56.727 56.100 0.051 0.000 0.989 411 R CB -0.289 30.036 30.300 0.042 0.000 0.869 411 R HN 0.378 nan 8.270 nan 0.000 0.459 412 L N -0.784 120.446 121.223 0.011 0.000 2.599 412 L HA 0.016 4.294 4.340 -0.105 0.000 0.230 412 L C 1.083 178.008 176.870 0.092 0.000 1.141 412 L CA 0.090 54.946 54.840 0.026 0.000 0.877 412 L CB -0.042 41.853 42.059 -0.272 0.000 1.009 412 L HN 0.036 nan 8.230 nan 0.000 0.447 413 F N -0.812 119.147 119.950 0.015 0.000 2.727 413 F HA 0.189 4.667 4.527 -0.082 0.000 0.302 413 F C 1.533 177.335 175.800 0.003 0.000 1.097 413 F CA -0.310 57.699 58.000 0.014 0.000 1.330 413 F CB 0.220 39.219 39.000 -0.002 0.000 1.084 413 F HN -0.057 nan 8.300 nan 0.000 0.578 414 S N -2.472 113.336 115.700 0.180 0.000 2.841 414 S HA 0.449 4.856 4.470 -0.105 0.000 0.274 414 S C 0.149 174.716 174.600 -0.055 0.000 1.044 414 S CA 0.092 58.283 58.200 -0.015 0.000 0.952 414 S CB 0.155 63.240 63.200 -0.191 0.000 1.331 414 S HN 0.221 nan 8.310 nan 0.000 0.610 415 Y N -0.332 119.796 120.300 -0.287 0.000 2.745 415 Y HA -0.377 4.138 4.550 -0.058 0.000 0.477 415 Y C 2.306 178.031 175.900 -0.291 0.000 1.099 415 Y CA 1.967 59.820 58.100 -0.412 0.000 2.900 415 Y CB -2.331 35.590 38.460 -0.897 0.000 1.080 415 Y HN 0.616 nan 8.280 nan 0.000 0.599 416 T N 0.195 114.720 114.554 -0.048 0.000 2.592 416 T HA -0.329 3.958 4.350 -0.105 0.000 0.267 416 T C 1.258 176.003 174.700 0.074 0.000 1.060 416 T CA 2.033 64.223 62.100 0.150 0.000 1.167 416 T CB -0.732 68.322 68.868 0.309 0.000 0.863 416 T HN 0.554 nan 8.240 nan 0.000 0.431 417 D N 0.014 120.447 120.400 0.056 0.000 2.160 417 D HA -0.144 4.433 4.640 -0.105 0.000 0.189 417 D C 2.325 178.603 176.300 -0.038 0.000 1.003 417 D CA 1.865 55.881 54.000 0.025 0.000 0.846 417 D CB -0.530 40.275 40.800 0.008 0.000 0.949 417 D HN 0.317 nan 8.370 nan 0.000 0.446 418 T N -1.188 113.310 114.554 -0.093 0.000 2.821 418 T HA -0.123 4.165 4.350 -0.105 0.000 0.267 418 T C 1.871 176.472 174.700 -0.166 0.000 1.046 418 T CA 1.389 63.416 62.100 -0.122 0.000 1.139 418 T CB -0.126 68.647 68.868 -0.159 0.000 0.871 418 T HN 0.178 nan 8.240 nan 0.000 0.454 419 Q N -0.071 119.575 119.800 -0.257 0.000 2.119 419 Q HA 0.085 4.362 4.340 -0.105 0.000 0.201 419 Q C 2.238 177.959 176.000 -0.466 0.000 0.972 419 Q CA 1.282 56.791 55.803 -0.490 0.000 0.847 419 Q CB -0.147 28.048 28.738 -0.904 0.000 0.903 419 Q HN 0.537 nan 8.270 nan 0.000 0.433 420 I N 0.324 120.755 120.570 -0.232 0.000 2.286 420 I HA -0.262 3.845 4.170 -0.105 0.000 0.248 420 I C 2.296 178.404 176.117 -0.016 0.000 1.115 420 I CA 1.297 62.595 61.300 -0.003 0.000 1.392 420 I CB -0.216 37.864 38.000 0.134 0.000 1.065 420 I HN 0.223 nan 8.210 nan 0.000 0.418 421 S N 0.384 116.060 115.700 -0.041 0.000 2.461 421 S HA -0.118 4.289 4.470 -0.105 0.000 0.228 421 S C 2.039 176.619 174.600 -0.034 0.000 1.005 421 S CA 0.348 58.535 58.200 -0.022 0.000 0.942 421 S CB -0.259 62.930 63.200 -0.018 0.000 0.776 421 S HN 0.409 nan 8.310 nan 0.000 0.514 422 R N 1.030 121.486 120.500 -0.073 0.000 2.055 422 R HA 0.234 4.511 4.340 -0.105 0.000 0.226 422 R C 2.101 178.371 176.300 -0.050 0.000 1.135 422 R CA 1.060 57.122 56.100 -0.062 0.000 0.959 422 R CB -0.357 29.885 30.300 -0.097 0.000 0.854 422 R HN 0.430 nan 8.270 nan 0.000 0.431 423 L N -0.876 120.294 121.223 -0.089 0.000 2.240 423 L HA 0.216 4.493 4.340 -0.105 0.000 0.211 423 L C 1.279 178.150 176.870 0.001 0.000 1.106 423 L CA 0.840 55.648 54.840 -0.054 0.000 0.793 423 L CB 0.188 42.192 42.059 -0.092 0.000 0.927 423 L HN 0.693 nan 8.230 nan 0.000 0.446 424 G N -0.745 108.066 108.800 0.018 0.000 2.168 424 G HA2 0.018 3.915 3.960 -0.105 0.000 0.197 424 G HA3 0.018 3.915 3.960 -0.105 0.000 0.197 424 G C 0.292 175.242 174.900 0.083 0.000 0.997 424 G CA -0.403 44.722 45.100 0.042 0.000 0.658 424 G HN 0.726 nan 8.290 nan 0.000 0.513 425 G N -1.219 107.662 108.800 0.134 0.000 2.316 425 G HA2 0.675 4.572 3.960 -0.105 0.000 0.296 425 G HA3 0.675 4.572 3.960 -0.105 0.000 0.296 425 G C -2.285 172.775 174.900 0.267 0.000 1.399 425 G CA 0.356 45.555 45.100 0.164 0.000 0.833 425 G HN 0.321 nan 8.290 nan 0.000 0.565 426 P HA 0.083 nan 4.420 nan 0.000 0.249 426 P C 0.203 177.533 177.300 0.049 0.000 1.229 426 P CA 0.338 63.552 63.100 0.190 0.000 0.788 426 P CB 0.305 32.090 31.700 0.140 0.000 1.072 427 N N 0.362 119.055 118.700 -0.012 0.000 2.320 427 N HA 0.068 4.745 4.740 -0.105 0.000 0.237 427 N C 1.027 176.291 175.510 -0.411 0.000 1.129 427 N CA -0.192 52.668 53.050 -0.316 0.000 0.854 427 N CB -0.549 37.845 38.487 -0.155 0.000 1.083 427 N HN 0.274 nan 8.380 nan 0.000 0.504 428 F N 0.828 120.707 119.950 -0.119 0.000 2.546 428 F HA -0.053 4.415 4.527 -0.098 0.000 0.298 428 F C 2.180 177.917 175.800 -0.104 0.000 1.120 428 F CA 0.633 58.579 58.000 -0.091 0.000 1.456 428 F CB -0.723 38.265 39.000 -0.020 0.000 1.088 428 F HN 0.168 nan 8.300 nan 0.000 0.572 429 H N 0.364 119.108 119.070 -0.544 0.000 2.521 429 H HA 0.035 4.526 4.556 -0.108 0.000 0.286 429 H C 0.750 176.006 175.328 -0.119 0.000 1.034 429 H CA 1.360 57.198 56.048 -0.351 0.000 1.278 429 H CB -0.726 28.737 29.762 -0.498 0.000 1.386 429 H HN 0.518 nan 8.280 nan 0.000 0.567 430 E N 1.022 120.940 120.200 -0.470 0.000 2.489 430 E HA 0.191 4.478 4.350 -0.105 0.000 0.193 430 E C 0.190 176.745 176.600 -0.076 0.000 1.057 430 E CA -0.300 55.986 56.400 -0.189 0.000 0.866 430 E CB 0.414 29.991 29.700 -0.204 0.000 0.916 430 E HN 0.445 nan 8.360 nan 0.000 0.500 431 I N 2.314 122.853 120.570 -0.051 0.000 2.556 431 I HA -0.021 4.086 4.170 -0.105 0.000 0.284 431 I C -1.493 174.607 176.117 -0.029 0.000 1.114 431 I CA -1.731 59.557 61.300 -0.020 0.000 1.418 431 I CB 0.690 38.688 38.000 -0.003 0.000 1.394 431 I HN -0.182 nan 8.210 nan 0.000 0.552 432 P HA -0.253 nan 4.420 nan 0.000 0.217 432 P C 1.725 178.977 177.300 -0.079 0.000 1.158 432 P CA 1.353 64.422 63.100 -0.052 0.000 0.887 432 P CB 0.162 31.831 31.700 -0.051 0.000 0.792 433 I N -0.815 119.682 120.570 -0.122 0.000 2.335 433 I HA -0.203 3.904 4.170 -0.105 0.000 0.251 433 I C 1.437 177.507 176.117 -0.079 0.000 1.129 433 I CA 1.697 62.878 61.300 -0.198 0.000 1.402 433 I CB -0.624 37.152 38.000 -0.374 0.000 1.069 433 I HN -0.109 nan 8.210 nan 0.000 0.424 434 N N 0.530 119.211 118.700 -0.032 0.000 2.424 434 N HA 0.043 4.720 4.740 -0.105 0.000 0.178 434 N C 0.215 175.779 175.510 0.089 0.000 1.060 434 N CA 0.215 53.282 53.050 0.029 0.000 0.901 434 N CB -0.035 38.495 38.487 0.070 0.000 0.979 434 N HN 0.376 nan 8.380 nan 0.000 0.451 435 R N 1.713 122.261 120.500 0.079 0.000 2.537 435 R HA 0.172 4.449 4.340 -0.105 0.000 0.280 435 R C -2.193 174.198 176.300 0.151 0.000 1.058 435 R CA -1.222 54.935 56.100 0.095 0.000 1.057 435 R CB -0.227 30.103 30.300 0.050 0.000 0.973 435 R HN 0.051 nan 8.270 nan 0.000 0.438 436 P HA -0.005 nan 4.420 nan 0.000 0.270 436 P C 0.508 177.875 177.300 0.112 0.000 1.223 436 P CA -0.166 63.033 63.100 0.165 0.000 0.785 436 P CB 0.472 32.232 31.700 0.099 0.000 0.923 437 T N -1.324 113.299 114.554 0.114 0.000 2.674 437 T HA -0.092 4.195 4.350 -0.105 0.000 0.265 437 T C 0.854 175.570 174.700 0.027 0.000 1.039 437 T CA 1.043 63.159 62.100 0.028 0.000 1.150 437 T CB -0.836 68.060 68.868 0.047 0.000 0.864 437 T HN 0.391 nan 8.240 nan 0.000 0.427 438 C N 3.761 123.093 119.300 0.052 0.000 2.350 438 C HA 0.510 4.907 4.460 -0.105 0.000 0.348 438 C C -1.946 173.069 174.990 0.041 0.000 1.260 438 C CA -1.900 57.143 59.018 0.042 0.000 1.966 438 C CB 0.583 28.355 27.740 0.054 0.000 2.380 438 C HN 0.447 nan 8.230 nan 0.000 0.535 439 P HA -0.006 nan 4.420 nan 0.000 0.266 439 P C -1.050 176.140 177.300 -0.183 0.000 1.186 439 P CA 0.464 63.479 63.100 -0.143 0.000 0.767 439 P CB 0.120 31.692 31.700 -0.214 0.000 0.820 440 Y N -0.055 120.077 120.300 -0.279 0.000 2.453 440 Y HA 0.665 5.156 4.550 -0.099 0.000 0.326 440 Y C -0.223 175.332 175.900 -0.574 0.000 1.186 440 Y CA -1.113 56.833 58.100 -0.257 0.000 1.200 440 Y CB 1.046 39.392 38.460 -0.190 0.000 1.247 440 Y HN 0.339 nan 8.280 nan 0.000 0.482 441 H N 1.844 120.939 119.070 0.040 0.000 2.744 441 H HA 0.465 4.959 4.556 -0.104 0.000 0.339 441 H C -1.103 174.194 175.328 -0.052 0.000 1.004 441 H CA -0.799 55.199 56.048 -0.084 0.000 1.257 441 H CB 1.198 30.883 29.762 -0.128 0.000 1.552 441 H HN 0.850 nan 8.280 nan 0.000 0.522 442 N N 0.590 119.261 118.700 -0.048 0.000 3.364 442 N HA 0.214 4.892 4.740 -0.105 0.000 0.294 442 N C -1.192 174.155 175.510 -0.271 0.000 1.562 442 N CA -0.916 52.049 53.050 -0.142 0.000 0.862 442 N CB 0.729 39.241 38.487 0.041 0.000 1.691 442 N HN 0.270 nan 8.380 nan 0.000 0.572 443 F N -0.523 119.483 119.950 0.093 0.000 2.639 443 F HA 0.369 4.832 4.527 -0.106 0.000 0.302 443 F C 0.442 176.294 175.800 0.087 0.000 1.097 443 F CA -0.390 57.659 58.000 0.082 0.000 1.294 443 F CB 0.279 39.317 39.000 0.064 0.000 1.027 443 F HN 0.167 nan 8.300 nan 0.000 0.550 444 Q N 1.781 121.699 119.800 0.197 0.000 2.364 444 Q HA 0.291 4.568 4.340 -0.105 0.000 0.267 444 Q C 0.063 176.151 176.000 0.146 0.000 0.999 444 Q CA 0.274 56.165 55.803 0.146 0.000 0.886 444 Q CB 0.841 29.628 28.738 0.081 0.000 1.243 444 Q HN 0.105 nan 8.270 nan 0.000 0.415 445 R N 1.678 122.256 120.500 0.130 0.000 2.799 445 R HA 0.339 4.616 4.340 -0.105 0.000 0.270 445 R C -0.597 175.762 176.300 0.098 0.000 1.010 445 R CA -0.691 55.479 56.100 0.117 0.000 0.916 445 R CB 1.088 31.458 30.300 0.117 0.000 1.228 445 R HN 0.710 nan 8.270 nan 0.000 0.469 446 D N -0.143 120.308 120.400 0.084 0.000 3.395 446 D HA -0.172 4.405 4.640 -0.105 0.000 0.238 446 D C 0.416 176.761 176.300 0.075 0.000 1.741 446 D CA 2.080 56.122 54.000 0.070 0.000 1.135 446 D CB -0.947 39.891 40.800 0.064 0.000 0.767 446 D HN 0.897 nan 8.370 nan 0.000 0.934 447 G N -1.812 107.030 108.800 0.070 0.000 2.663 447 G HA2 0.044 3.942 3.960 -0.105 0.000 0.686 447 G HA3 0.044 3.942 3.960 -0.105 0.000 0.686 447 G C -0.208 174.738 174.900 0.076 0.000 1.246 447 G CA -0.112 45.035 45.100 0.077 0.000 0.795 447 G HN 0.556 nan 8.290 nan 0.000 0.627 448 M N 1.848 121.503 119.600 0.092 0.000 2.252 448 M HA 0.172 4.590 4.480 -0.105 0.000 0.329 448 M C 1.272 177.670 176.300 0.164 0.000 1.101 448 M CA 0.484 55.852 55.300 0.114 0.000 1.117 448 M CB 0.102 32.784 32.600 0.137 0.000 1.563 448 M HN 0.799 nan 8.290 nan 0.000 0.445 449 H N 0.422 119.507 119.070 0.025 0.000 2.692 449 H HA -0.135 4.358 4.556 -0.104 0.000 0.316 449 H C -0.259 175.069 175.328 0.001 0.000 1.176 449 H CA 0.327 56.384 56.048 0.016 0.000 1.142 449 H CB -0.850 28.925 29.762 0.022 0.000 1.475 449 H HN 0.446 nan 8.280 nan 0.000 0.423 450 R N 1.334 121.859 120.500 0.042 0.000 2.296 450 R HA 0.083 4.360 4.340 -0.105 0.000 0.323 450 R C 1.256 177.562 176.300 0.009 0.000 1.067 450 R CA -0.191 55.926 56.100 0.030 0.000 0.946 450 R CB 0.352 30.672 30.300 0.033 0.000 0.991 450 R HN 0.182 nan 8.270 nan 0.000 0.448 451 M N 2.468 122.077 119.600 0.015 0.000 2.447 451 M HA 0.230 4.648 4.480 -0.105 0.000 0.266 451 M C 0.886 177.183 176.300 -0.005 0.000 1.120 451 M CA 0.709 56.013 55.300 0.007 0.000 1.166 451 M CB -0.590 32.018 32.600 0.013 0.000 1.349 451 M HN 0.677 nan 8.290 nan 0.000 0.463 452 G N 1.850 110.649 108.800 -0.001 0.000 2.378 452 G HA2 0.444 4.342 3.960 -0.105 0.000 0.255 452 G HA3 0.444 4.342 3.960 -0.105 0.000 0.255 452 G C -0.352 174.538 174.900 -0.017 0.000 1.270 452 G CA -0.420 44.665 45.100 -0.024 0.000 0.876 452 G HN 0.301 nan 8.290 nan 0.000 0.521 453 I N 2.930 123.483 120.570 -0.027 0.000 2.307 453 I HA 0.103 4.210 4.170 -0.105 0.000 0.287 453 I C -0.200 175.906 176.117 -0.018 0.000 1.054 453 I CA -0.578 60.713 61.300 -0.015 0.000 1.218 453 I CB 0.876 38.868 38.000 -0.014 0.000 1.398 453 I HN 0.344 nan 8.210 nan 0.000 0.475 454 D N 4.548 124.945 120.400 -0.005 0.000 2.389 454 D HA 0.072 4.649 4.640 -0.105 0.000 0.247 454 D C 1.109 177.414 176.300 0.009 0.000 1.128 454 D CA 0.379 54.377 54.000 -0.003 0.000 0.884 454 D CB 1.800 42.611 40.800 0.019 0.000 1.194 454 D HN 0.578 nan 8.370 nan 0.000 0.441 455 T N -1.248 113.310 114.554 0.006 0.000 3.044 455 T HA -0.025 4.262 4.350 -0.105 0.000 0.260 455 T C 0.761 175.477 174.700 0.027 0.000 1.019 455 T CA -0.581 61.527 62.100 0.013 0.000 0.921 455 T CB 0.218 69.087 68.868 0.001 0.000 1.053 455 T HN 0.132 nan 8.240 nan 0.000 0.533 456 N N 3.515 122.235 118.700 0.033 0.000 2.359 456 N HA 0.085 4.762 4.740 -0.105 0.000 0.261 456 N C -1.599 173.957 175.510 0.076 0.000 1.267 456 N CA -1.313 51.770 53.050 0.055 0.000 0.864 456 N CB 1.487 40.011 38.487 0.062 0.000 1.063 456 N HN 0.079 nan 8.380 nan 0.000 0.474 457 P HA 0.014 nan 4.420 nan 0.000 0.220 457 P C -0.603 176.758 177.300 0.103 0.000 1.148 457 P CA 0.843 63.992 63.100 0.082 0.000 0.803 457 P CB 0.261 32.003 31.700 0.071 0.000 0.782 458 A N 0.696 123.565 122.820 0.082 0.000 2.304 458 A HA 0.404 4.661 4.320 -0.105 0.000 0.323 458 A C 0.500 178.178 177.584 0.156 0.000 1.195 458 A CA -0.704 51.323 52.037 -0.016 0.000 0.826 458 A CB 0.093 18.880 19.000 -0.356 0.000 1.184 458 A HN 0.250 nan 8.150 nan 0.000 0.496 459 N N 0.585 119.418 118.700 0.221 0.000 2.234 459 N HA 0.302 4.979 4.740 -0.105 0.000 0.227 459 N C -0.572 175.111 175.510 0.288 0.000 1.151 459 N CA -0.302 52.969 53.050 0.369 0.000 0.865 459 N CB 0.200 38.859 38.487 0.288 0.000 1.066 459 N HN 0.705 nan 8.380 nan 0.000 0.515 460 Y N -0.639 119.557 120.300 -0.174 0.000 2.644 460 Y HA 0.710 5.197 4.550 -0.106 0.000 0.338 460 Y C -1.278 174.041 175.900 -0.967 0.000 1.119 460 Y CA -1.429 56.392 58.100 -0.465 0.000 1.060 460 Y CB 1.092 39.431 38.460 -0.202 0.000 1.294 460 Y HN 0.064 nan 8.280 nan 0.000 0.472 461 E N 0.303 120.068 120.200 -0.725 0.000 2.372 461 E HA 0.581 4.869 4.350 -0.105 0.000 0.279 461 E C -3.224 173.272 176.600 -0.173 0.000 0.946 461 E CA -1.950 54.105 56.400 -0.576 0.000 0.769 461 E CB 1.765 31.032 29.700 -0.721 0.000 1.230 461 E HN 0.598 nan 8.360 nan 0.000 0.442 462 P HA 0.304 nan 4.420 nan 0.000 0.278 462 P C -1.310 175.957 177.300 -0.055 0.000 1.238 462 P CA -0.466 62.569 63.100 -0.109 0.000 0.794 462 P CB 0.625 32.290 31.700 -0.059 0.000 0.955 463 N N -1.272 117.330 118.700 -0.164 0.000 2.262 463 N HA 0.363 5.041 4.740 -0.105 0.000 0.295 463 N C 0.306 175.782 175.510 -0.057 0.000 1.161 463 N CA -0.777 52.193 53.050 -0.134 0.000 0.767 463 N CB 1.570 39.741 38.487 -0.527 0.000 1.499 463 N HN 0.209 nan 8.380 nan 0.000 0.476 464 S N 0.587 116.296 115.700 0.015 0.000 2.502 464 S HA 0.005 4.413 4.470 -0.105 0.000 0.215 464 S C 1.502 176.121 174.600 0.032 0.000 1.009 464 S CA -0.090 58.119 58.200 0.016 0.000 0.908 464 S CB -0.749 62.469 63.200 0.030 0.000 0.801 464 S HN 0.715 nan 8.310 nan 0.000 0.505 465 I N -0.780 119.816 120.570 0.043 0.000 2.830 465 I HA 0.242 4.350 4.170 -0.105 0.000 0.263 465 I C 1.292 177.446 176.117 0.061 0.000 1.230 465 I CA 1.214 62.549 61.300 0.058 0.000 1.480 465 I CB -0.356 37.695 38.000 0.086 0.000 1.095 465 I HN 0.189 nan 8.210 nan 0.000 0.455 466 N N 1.109 119.845 118.700 0.061 0.000 2.291 466 N HA 0.040 4.718 4.740 -0.105 0.000 0.244 466 N C -0.246 175.383 175.510 0.199 0.000 1.216 466 N CA -0.062 53.063 53.050 0.126 0.000 0.879 466 N CB 0.099 38.674 38.487 0.147 0.000 1.167 466 N HN 0.208 nan 8.380 nan 0.000 0.515 467 D N 0.837 121.299 120.400 0.104 0.000 2.689 467 D HA -0.249 4.328 4.640 -0.105 0.000 0.237 467 D C -0.121 176.086 176.300 -0.155 0.000 1.148 467 D CA 0.912 54.940 54.000 0.046 0.000 0.656 467 D CB -1.442 39.466 40.800 0.180 0.000 1.050 467 D HN 0.453 nan 8.370 nan 0.000 0.426 468 N N -1.408 117.216 118.700 -0.127 0.000 2.713 468 N HA -0.252 4.426 4.740 -0.105 0.000 0.251 468 N C -0.743 174.672 175.510 -0.158 0.000 1.117 468 N CA 1.468 54.410 53.050 -0.179 0.000 0.770 468 N CB -1.154 37.186 38.487 -0.244 0.000 1.137 468 N HN 0.568 nan 8.380 nan 0.000 0.566 469 W N 0.746 122.106 121.300 0.100 0.000 2.375 469 W HA 0.447 5.044 4.660 -0.106 0.000 0.336 469 W C -1.569 175.018 176.519 0.113 0.000 1.160 469 W CA -1.709 55.682 57.345 0.078 0.000 1.266 469 W CB 0.438 29.894 29.460 -0.007 0.000 1.195 469 W HN -0.056 nan 8.180 nan 0.000 0.599 470 P HA 0.111 nan 4.420 nan 0.000 0.269 470 P C -0.689 176.772 177.300 0.268 0.000 1.215 470 P CA 0.148 63.424 63.100 0.293 0.000 0.780 470 P CB 0.958 32.680 31.700 0.037 0.000 0.898 471 R N 0.647 121.277 120.500 0.218 0.000 2.787 471 R HA 0.334 4.611 4.340 -0.105 0.000 0.271 471 R C 0.401 176.732 176.300 0.051 0.000 0.993 471 R CA -0.897 55.197 56.100 -0.011 0.000 0.993 471 R CB 1.123 31.199 30.300 -0.374 0.000 1.155 471 R HN 0.486 nan 8.270 nan 0.000 0.486 472 E N 0.499 120.713 120.200 0.023 0.000 2.442 472 E HA 0.013 4.301 4.350 -0.105 0.000 0.260 472 E C -0.605 176.012 176.600 0.028 0.000 1.148 472 E CA 0.799 57.222 56.400 0.038 0.000 0.976 472 E CB 0.601 30.311 29.700 0.017 0.000 0.967 472 E HN 0.359 nan 8.360 nan 0.000 0.454 473 T N 3.098 117.678 114.554 0.044 0.000 3.011 473 T HA 0.313 4.600 4.350 -0.105 0.000 0.303 473 T C -2.522 172.197 174.700 0.032 0.000 0.997 473 T CA -1.423 60.703 62.100 0.042 0.000 1.007 473 T CB 1.490 70.395 68.868 0.063 0.000 1.017 473 T HN 0.245 nan 8.240 nan 0.000 0.443 474 P HA 0.286 nan 4.420 nan 0.000 0.269 474 P C -2.540 174.761 177.300 0.003 0.000 1.215 474 P CA -1.378 61.725 63.100 0.006 0.000 0.780 474 P CB -0.430 31.269 31.700 -0.002 0.000 0.898 475 P HA 0.294 nan 4.420 nan 0.000 0.269 475 P C 0.067 177.350 177.300 -0.028 0.000 1.215 475 P CA 0.414 63.493 63.100 -0.034 0.000 0.780 475 P CB 0.586 32.245 31.700 -0.067 0.000 0.898 476 G N 1.049 109.831 108.800 -0.030 0.000 2.488 476 G HA2 0.384 4.281 3.960 -0.105 0.000 0.301 476 G HA3 0.384 4.281 3.960 -0.105 0.000 0.301 476 G C -2.539 172.345 174.900 -0.025 0.000 1.339 476 G CA -0.738 44.348 45.100 -0.023 0.000 0.803 476 G HN 0.093 nan 8.290 nan 0.000 0.482 477 P HA 0.060 nan 4.420 nan 0.000 0.218 477 P C 0.291 177.584 177.300 -0.012 0.000 1.148 477 P CA 1.284 64.373 63.100 -0.020 0.000 0.822 477 P CB 0.265 31.957 31.700 -0.013 0.000 0.784 478 K N -1.846 118.553 120.400 -0.000 0.000 2.557 478 K HA 0.348 4.605 4.320 -0.105 0.000 0.261 478 K C -0.542 176.071 176.600 0.022 0.000 0.932 478 K CA -0.720 55.574 56.287 0.012 0.000 0.829 478 K CB 1.091 33.599 32.500 0.014 0.000 1.358 478 K HN -0.405 nan 8.250 nan 0.000 0.430 479 R N -0.105 120.415 120.500 0.035 0.000 3.770 479 R HA -0.130 4.147 4.340 -0.105 0.000 0.305 479 R C -0.292 176.033 176.300 0.042 0.000 1.184 479 R CA 1.124 57.250 56.100 0.043 0.000 0.823 479 R CB -2.322 28.003 30.300 0.041 0.000 1.285 479 R HN 0.867 nan 8.270 nan 0.000 0.499 480 G N -1.414 107.405 108.800 0.033 0.000 2.509 480 G HA2 0.663 4.560 3.960 -0.105 0.000 0.328 480 G HA3 0.663 4.560 3.960 -0.105 0.000 0.328 480 G C 0.281 175.208 174.900 0.044 0.000 1.194 480 G CA -0.001 45.116 45.100 0.028 0.000 0.967 480 G HN 0.275 nan 8.290 nan 0.000 0.488 481 G N -1.325 107.503 108.800 0.046 0.000 2.572 481 G HA2 0.419 4.316 3.960 -0.105 0.000 0.261 481 G HA3 0.419 4.316 3.960 -0.105 0.000 0.261 481 G C -0.742 174.209 174.900 0.086 0.000 1.197 481 G CA -0.553 44.595 45.100 0.080 0.000 0.870 481 G HN 0.455 nan 8.290 nan 0.000 0.548 482 F N 0.171 120.121 119.950 -0.000 0.000 2.456 482 F HA 0.391 4.859 4.527 -0.099 0.000 0.358 482 F C 0.538 176.335 175.800 -0.006 0.000 1.095 482 F CA -0.238 57.755 58.000 -0.012 0.000 1.216 482 F CB 0.960 39.950 39.000 -0.017 0.000 1.125 482 F HN 0.417 nan 8.300 nan 0.000 0.549 483 E N 3.932 123.746 120.200 -0.643 0.000 2.224 483 E HA 0.310 4.597 4.350 -0.105 0.000 0.265 483 E C -1.131 175.106 176.600 -0.605 0.000 0.878 483 E CA -0.754 55.408 56.400 -0.396 0.000 0.759 483 E CB 1.446 31.014 29.700 -0.220 0.000 1.164 483 E HN 0.627 nan 8.360 nan 0.000 0.414 484 S N 2.643 118.221 115.700 -0.203 0.000 2.564 484 S HA 0.022 4.429 4.470 -0.105 0.000 0.278 484 S C -0.533 174.045 174.600 -0.036 0.000 1.333 484 S CA -0.411 57.748 58.200 -0.068 0.000 1.048 484 S CB 0.182 63.469 63.200 0.144 0.000 0.900 484 S HN 0.467 nan 8.310 nan 0.000 0.505 485 Y N 2.726 122.941 120.300 -0.142 0.000 2.717 485 Y HA -0.056 4.431 4.550 -0.106 0.000 0.330 485 Y C 0.848 176.711 175.900 -0.062 0.000 1.217 485 Y CA -0.035 57.996 58.100 -0.115 0.000 1.506 485 Y CB 0.061 38.455 38.460 -0.111 0.000 1.268 485 Y HN 0.590 nan 8.280 nan 0.000 0.561 486 Q N 5.239 124.754 119.800 -0.474 0.000 3.159 486 Q HA 0.003 4.280 4.340 -0.105 0.000 0.280 486 Q C -0.108 175.579 176.000 -0.521 0.000 1.403 486 Q CA 0.036 55.601 55.803 -0.396 0.000 0.957 486 Q CB -0.245 28.331 28.738 -0.270 0.000 1.729 486 Q HN 0.634 nan 8.270 nan 0.000 0.551 487 E N 1.474 121.424 120.200 -0.416 0.000 2.392 487 E HA 0.017 4.304 4.350 -0.105 0.000 0.264 487 E C -0.258 176.276 176.600 -0.111 0.000 1.024 487 E CA -0.462 55.800 56.400 -0.230 0.000 0.903 487 E CB 0.662 30.365 29.700 0.006 0.000 0.963 487 E HN 0.162 nan 8.360 nan 0.000 0.432 488 R N 2.986 123.447 120.500 -0.066 0.000 2.347 488 R HA 0.186 4.463 4.340 -0.105 0.000 0.304 488 R C -1.395 174.908 176.300 0.005 0.000 1.072 488 R CA -0.203 55.879 56.100 -0.030 0.000 0.980 488 R CB 0.772 31.063 30.300 -0.015 0.000 0.986 488 R HN 0.267 nan 8.270 nan 0.000 0.448 489 V N 4.870 124.784 119.914 -0.000 0.000 2.417 489 V HA 0.405 4.462 4.120 -0.105 0.000 0.291 489 V C -0.351 175.747 176.094 0.006 0.000 1.024 489 V CA -0.491 61.816 62.300 0.011 0.000 0.861 489 V CB 1.483 33.310 31.823 0.006 0.000 0.985 489 V HN 0.817 nan 8.190 nan 0.000 0.436 490 E N 2.602 122.809 120.200 0.012 0.000 2.294 490 E HA 0.676 4.964 4.350 -0.105 0.000 0.272 490 E C -0.084 176.518 176.600 0.004 0.000 0.896 490 E CA -0.182 56.222 56.400 0.006 0.000 0.802 490 E CB 2.173 31.878 29.700 0.008 0.000 1.267 490 E HN 1.007 nan 8.360 nan 0.000 0.406 491 G N 2.536 111.335 108.800 -0.002 0.000 2.356 491 G HA2 0.026 3.923 3.960 -0.105 0.000 0.288 491 G HA3 0.026 3.923 3.960 -0.105 0.000 0.288 491 G C -1.538 173.357 174.900 -0.008 0.000 1.302 491 G CA -1.074 44.022 45.100 -0.006 0.000 0.887 491 G HN 0.395 nan 8.290 nan 0.000 0.521 492 N N 0.167 118.860 118.700 -0.011 0.000 2.492 492 N HA 0.479 5.157 4.740 -0.105 0.000 0.289 492 N C -0.301 175.201 175.510 -0.014 0.000 1.133 492 N CA -0.630 52.413 53.050 -0.012 0.000 0.961 492 N CB 1.220 39.700 38.487 -0.012 0.000 1.186 492 N HN 0.483 nan 8.380 nan 0.000 0.493 493 K N 1.089 121.482 120.400 -0.012 0.000 2.361 493 K HA 0.157 4.415 4.320 -0.105 0.000 0.283 493 K C -0.621 175.969 176.600 -0.017 0.000 1.078 493 K CA -0.072 56.207 56.287 -0.012 0.000 1.041 493 K CB -0.330 32.166 32.500 -0.008 0.000 0.932 493 K HN 0.360 nan 8.250 nan 0.000 0.462 494 V N 0.257 120.157 119.914 -0.024 0.000 3.007 494 V HA 0.495 4.552 4.120 -0.105 0.000 0.311 494 V C -0.536 175.533 176.094 -0.042 0.000 1.120 494 V CA -1.371 60.911 62.300 -0.031 0.000 0.980 494 V CB 2.096 33.899 31.823 -0.033 0.000 1.033 494 V HN 0.607 nan 8.190 nan 0.000 0.429 495 R N 1.797 122.268 120.500 -0.048 0.000 2.471 495 R HA 0.594 4.872 4.340 -0.105 0.000 0.292 495 R C -0.535 175.724 176.300 -0.068 0.000 1.192 495 R CA -0.096 55.963 56.100 -0.068 0.000 1.257 495 R CB 0.646 30.895 30.300 -0.084 0.000 1.130 495 R HN 0.919 nan 8.270 nan 0.000 0.558 496 E N 1.611 121.767 120.200 -0.073 0.000 2.321 496 E HA 0.244 4.531 4.350 -0.105 0.000 0.278 496 E C -1.266 175.272 176.600 -0.104 0.000 0.902 496 E CA -1.032 55.325 56.400 -0.072 0.000 0.758 496 E CB 1.695 31.360 29.700 -0.059 0.000 1.213 496 E HN 0.097 nan 8.360 nan 0.000 0.426 497 R N 1.390 121.831 120.500 -0.099 0.000 2.438 497 R HA 0.205 4.482 4.340 -0.105 0.000 0.287 497 R C -0.509 175.677 176.300 -0.189 0.000 1.077 497 R CA 0.105 56.111 56.100 -0.157 0.000 1.034 497 R CB 1.174 31.434 30.300 -0.067 0.000 0.993 497 R HN 0.345 nan 8.270 nan 0.000 0.459 498 S N 4.813 120.288 115.700 -0.375 0.000 2.533 498 S HA 0.136 4.543 4.470 -0.105 0.000 0.282 498 S C -1.575 172.994 174.600 -0.051 0.000 1.304 498 S CA -1.271 56.790 58.200 -0.231 0.000 1.063 498 S CB 0.688 63.705 63.200 -0.304 0.000 0.881 498 S HN 0.532 nan 8.310 nan 0.000 0.493 499 P HA -0.132 nan 4.420 nan 0.000 0.217 499 P C 1.584 178.931 177.300 0.079 0.000 1.148 499 P CA 1.361 64.481 63.100 0.034 0.000 0.828 499 P CB -0.100 31.610 31.700 0.017 0.000 0.783 500 S N -2.146 113.635 115.700 0.136 0.000 2.469 500 S HA -0.130 4.278 4.470 -0.105 0.000 0.238 500 S C 1.506 176.260 174.600 0.257 0.000 0.998 500 S CA 0.929 59.240 58.200 0.185 0.000 0.957 500 S CB -1.367 61.976 63.200 0.238 0.000 0.764 500 S HN -0.028 nan 8.310 nan 0.000 0.514 501 F N 2.121 122.060 119.950 -0.018 0.000 2.754 501 F HA 0.391 4.853 4.527 -0.108 0.000 0.297 501 F C 2.013 177.746 175.800 -0.113 0.000 1.122 501 F CA -0.766 57.218 58.000 -0.027 0.000 1.400 501 F CB -0.737 38.279 39.000 0.027 0.000 1.117 501 F HN 0.336 nan 8.300 nan 0.000 0.587 502 G N 0.927 109.736 108.800 0.016 0.000 3.180 502 G HA2 0.069 3.966 3.960 -0.105 0.000 0.252 502 G HA3 0.069 3.966 3.960 -0.105 0.000 0.252 502 G C -0.028 174.457 174.900 -0.691 0.000 0.871 502 G CA 0.194 45.109 45.100 -0.308 0.000 1.979 502 G HN 0.039 nan 8.290 nan 0.000 0.624 503 E N 0.411 120.111 120.200 -0.833 0.000 2.281 503 E HA 0.282 4.569 4.350 -0.105 0.000 0.266 503 E C -0.871 175.289 176.600 -0.733 0.000 0.893 503 E CA -0.764 55.234 56.400 -0.670 0.000 0.798 503 E CB 1.358 30.904 29.700 -0.257 0.000 1.245 503 E HN 0.267 nan 8.360 nan 0.000 0.410 504 Y N 2.709 122.779 120.300 -0.384 0.000 2.500 504 Y HA 0.201 4.688 4.550 -0.105 0.000 0.246 504 Y C 0.706 176.236 175.900 -0.616 0.000 1.146 504 Y CA -0.127 57.635 58.100 -0.564 0.000 1.230 504 Y CB 0.372 38.348 38.460 -0.807 0.000 1.214 504 Y HN 0.423 nan 8.280 nan 0.000 0.526 505 Y N -1.328 119.042 120.300 0.116 0.000 2.535 505 Y HA 0.065 4.553 4.550 -0.103 0.000 0.264 505 Y C 2.419 178.373 175.900 0.091 0.000 1.087 505 Y CA 0.243 58.410 58.100 0.110 0.000 1.285 505 Y CB -0.379 38.148 38.460 0.112 0.000 1.200 505 Y HN 0.059 nan 8.280 nan 0.000 0.514 506 S N -0.747 115.080 115.700 0.211 0.000 2.402 506 S HA -0.182 4.225 4.470 -0.105 0.000 0.229 506 S C 1.434 176.122 174.600 0.148 0.000 1.021 506 S CA 1.516 59.828 58.200 0.188 0.000 0.974 506 S CB -0.554 62.758 63.200 0.187 0.000 0.800 506 S HN 0.414 nan 8.310 nan 0.000 0.484 507 H N 3.004 121.979 119.070 -0.159 0.000 2.326 507 H HA 0.159 4.652 4.556 -0.104 0.000 0.301 507 H C -0.651 174.494 175.328 -0.305 0.000 1.081 507 H CA 1.363 57.174 56.048 -0.394 0.000 1.334 507 H CB -1.744 27.538 29.762 -0.799 0.000 1.385 507 H HN 0.393 nan 8.280 nan 0.000 0.504 508 P HA -0.162 nan 4.420 nan 0.000 0.215 508 P C 1.505 178.996 177.300 0.319 0.000 1.153 508 P CA 1.619 64.877 63.100 0.263 0.000 0.853 508 P CB 0.099 31.970 31.700 0.285 0.000 0.788 509 R N -0.409 120.228 120.500 0.229 0.000 2.081 509 R HA -0.130 4.147 4.340 -0.105 0.000 0.235 509 R C 2.184 178.617 176.300 0.221 0.000 1.131 509 R CA 1.154 57.394 56.100 0.234 0.000 0.960 509 R CB -1.077 29.322 30.300 0.166 0.000 0.856 509 R HN 0.057 nan 8.270 nan 0.000 0.436 510 L N 0.573 121.869 121.223 0.120 0.000 2.012 510 L HA -0.180 4.098 4.340 -0.105 0.000 0.210 510 L C 2.030 178.956 176.870 0.093 0.000 1.073 510 L CA 1.836 56.708 54.840 0.053 0.000 0.748 510 L CB -0.784 41.232 42.059 -0.072 0.000 0.891 510 L HN 0.257 nan 8.230 nan 0.000 0.431 511 F N -0.824 119.161 119.950 0.058 0.000 2.102 511 F HA -0.271 4.195 4.527 -0.102 0.000 0.298 511 F C 2.295 178.095 175.800 0.001 0.000 1.105 511 F CA 2.118 60.129 58.000 0.018 0.000 1.239 511 F CB -0.675 38.360 39.000 0.059 0.000 0.991 511 F HN 0.402 nan 8.300 nan 0.000 0.474 512 W N 1.503 122.778 121.300 -0.042 0.000 2.354 512 W HA -0.231 4.366 4.660 -0.105 0.000 0.315 512 W C 1.801 178.192 176.519 -0.214 0.000 1.206 512 W CA 1.849 59.114 57.345 -0.134 0.000 1.290 512 W CB -0.829 28.659 29.460 0.046 0.000 1.152 512 W HN 0.087 nan 8.180 nan 0.000 0.489 513 L N 1.357 122.506 121.223 -0.123 0.000 2.265 513 L HA -0.185 4.092 4.340 -0.105 0.000 0.215 513 L C 2.323 178.994 176.870 -0.332 0.000 1.117 513 L CA 1.279 55.971 54.840 -0.248 0.000 0.782 513 L CB -0.727 41.306 42.059 -0.044 0.000 0.914 513 L HN -0.125 nan 8.230 nan 0.000 0.441 514 S N -1.560 113.929 115.700 -0.351 0.000 2.558 514 S HA 0.052 4.459 4.470 -0.105 0.000 0.217 514 S C 0.669 174.978 174.600 -0.486 0.000 0.975 514 S CA 0.073 58.065 58.200 -0.347 0.000 0.912 514 S CB 0.002 63.036 63.200 -0.276 0.000 0.776 514 S HN 0.290 nan 8.310 nan 0.000 0.526 515 Q N 2.456 121.856 119.800 -0.668 0.000 2.259 515 Q HA 0.282 4.559 4.340 -0.105 0.000 0.249 515 Q C 0.681 176.282 176.000 -0.666 0.000 0.914 515 Q CA -0.122 55.254 55.803 -0.711 0.000 0.904 515 Q CB 0.637 28.877 28.738 -0.831 0.000 1.213 515 Q HN 0.450 nan 8.270 nan 0.000 0.428 516 T N -1.022 113.111 114.554 -0.702 0.000 2.680 516 T HA 0.087 4.374 4.350 -0.105 0.000 0.314 516 T C -1.722 172.500 174.700 -0.797 0.000 1.045 516 T CA -1.005 60.630 62.100 -0.776 0.000 1.025 516 T CB 0.032 68.179 68.868 -1.201 0.000 1.000 516 T HN 0.280 nan 8.240 nan 0.000 0.535 517 P HA 0.070 nan 4.420 nan 0.000 0.220 517 P C 1.389 178.462 177.300 -0.377 0.000 1.152 517 P CA 0.696 63.546 63.100 -0.416 0.000 0.812 517 P CB -0.226 31.344 31.700 -0.216 0.000 0.792 518 F N -0.162 119.597 119.950 -0.319 0.000 2.259 518 F HA 0.100 4.564 4.527 -0.105 0.000 0.298 518 F C 1.770 177.202 175.800 -0.613 0.000 1.088 518 F CA 0.773 58.522 58.000 -0.419 0.000 1.358 518 F CB -1.479 37.284 39.000 -0.395 0.000 1.040 518 F HN -0.130 nan 8.300 nan 0.000 0.505 519 E N 0.582 120.226 120.200 -0.927 0.000 2.107 519 E HA -0.178 4.109 4.350 -0.105 0.000 0.191 519 E C 2.200 178.610 176.600 -0.317 0.000 0.982 519 E CA 1.151 57.244 56.400 -0.512 0.000 0.809 519 E CB -0.235 29.126 29.700 -0.566 0.000 0.756 519 E HN 0.610 nan 8.360 nan 0.000 0.459 520 Q N 0.445 119.963 119.800 -0.470 0.000 2.061 520 Q HA -0.212 4.065 4.340 -0.105 0.000 0.204 520 Q C 2.287 178.309 176.000 0.037 0.000 0.984 520 Q CA 1.414 56.978 55.803 -0.398 0.000 0.846 520 Q CB -0.209 28.049 28.738 -0.801 0.000 0.902 520 Q HN 0.116 nan 8.270 nan 0.000 0.421 521 R N 0.058 120.549 120.500 -0.015 0.000 2.105 521 R HA -0.185 4.092 4.340 -0.105 0.000 0.239 521 R C 1.806 178.262 176.300 0.261 0.000 1.135 521 R CA 1.734 57.912 56.100 0.129 0.000 0.967 521 R CB -0.160 30.185 30.300 0.075 0.000 0.861 521 R HN 0.478 nan 8.270 nan 0.000 0.442 522 H N -0.396 118.775 119.070 0.168 0.000 2.389 522 H HA -0.068 4.425 4.556 -0.105 0.000 0.299 522 H C 2.160 177.608 175.328 0.199 0.000 1.081 522 H CA 1.374 57.536 56.048 0.190 0.000 1.345 522 H CB 0.020 29.905 29.762 0.205 0.000 1.393 522 H HN 0.221 nan 8.280 nan 0.000 0.520 523 I N 0.243 121.032 120.570 0.366 0.000 2.179 523 I HA -0.257 3.850 4.170 -0.105 0.000 0.242 523 I C 2.294 178.691 176.117 0.467 0.000 1.088 523 I CA 0.800 62.347 61.300 0.411 0.000 1.357 523 I CB -0.237 38.105 38.000 0.570 0.000 1.051 523 I HN 0.099 nan 8.210 nan 0.000 0.409 524 V N 1.110 121.289 119.914 0.442 0.000 2.287 524 V HA -0.320 3.738 4.120 -0.105 0.000 0.248 524 V C 2.097 178.364 176.094 0.289 0.000 1.053 524 V CA 2.196 64.706 62.300 0.349 0.000 1.027 524 V CB -0.703 31.285 31.823 0.276 0.000 0.646 524 V HN 0.414 nan 8.190 nan 0.000 0.447 525 D N 0.442 120.998 120.400 0.260 0.000 2.144 525 D HA -0.102 4.475 4.640 -0.105 0.000 0.199 525 D C 2.169 178.563 176.300 0.157 0.000 0.984 525 D CA 1.542 55.671 54.000 0.213 0.000 0.834 525 D CB -0.711 40.224 40.800 0.224 0.000 0.955 525 D HN 0.467 nan 8.370 nan 0.000 0.465 526 G N 0.210 109.068 108.800 0.097 0.000 2.480 526 G HA2 -0.264 3.633 3.960 -0.105 0.000 0.216 526 G HA3 -0.264 3.633 3.960 -0.105 0.000 0.216 526 G C 1.473 176.383 174.900 0.017 0.000 1.200 526 G CA 0.385 45.447 45.100 -0.063 0.000 0.782 526 G HN 0.181 nan 8.290 nan 0.000 0.554 527 F N 1.772 121.763 119.950 0.070 0.000 2.095 527 F HA -0.109 4.355 4.527 -0.105 0.000 0.298 527 F C 3.226 178.960 175.800 -0.111 0.000 1.104 527 F CA 1.666 59.639 58.000 -0.045 0.000 1.232 527 F CB -0.539 38.433 39.000 -0.047 0.000 0.987 527 F HN 0.083 nan 8.300 nan 0.000 0.475 528 S N 0.094 115.897 115.700 0.172 0.000 2.359 528 S HA -0.250 4.158 4.470 -0.105 0.000 0.224 528 S C 1.855 176.496 174.600 0.069 0.000 1.035 528 S CA 1.598 59.850 58.200 0.086 0.000 1.018 528 S CB -0.894 62.376 63.200 0.117 0.000 0.876 528 S HN 0.413 nan 8.310 nan 0.000 0.448 529 F N 2.545 122.482 119.950 -0.022 0.000 2.075 529 F HA -0.100 4.364 4.527 -0.106 0.000 0.297 529 F C 2.376 178.143 175.800 -0.054 0.000 1.113 529 F CA 1.526 59.514 58.000 -0.021 0.000 1.218 529 F CB -0.372 38.593 39.000 -0.058 0.000 0.984 529 F HN 0.100 nan 8.300 nan 0.000 0.472 530 E N 0.638 120.884 120.200 0.077 0.000 2.085 530 E HA -0.223 4.064 4.350 -0.105 0.000 0.194 530 E C 2.346 178.778 176.600 -0.280 0.000 0.994 530 E CA 1.740 58.121 56.400 -0.031 0.000 0.801 530 E CB -0.507 29.284 29.700 0.151 0.000 0.743 530 E HN 0.497 nan 8.360 nan 0.000 0.453 531 L N 0.700 121.701 121.223 -0.369 0.000 2.217 531 L HA -0.079 4.198 4.340 -0.105 0.000 0.211 531 L C 2.420 179.148 176.870 -0.236 0.000 1.107 531 L CA 0.437 55.033 54.840 -0.406 0.000 0.783 531 L CB -0.155 41.673 42.059 -0.385 0.000 0.919 531 L HN -0.011 nan 8.230 nan 0.000 0.442 532 S N -0.026 115.547 115.700 -0.210 0.000 2.419 532 S HA -0.148 4.259 4.470 -0.105 0.000 0.233 532 S C 1.806 176.308 174.600 -0.164 0.000 1.016 532 S CA 1.177 59.276 58.200 -0.169 0.000 0.974 532 S CB -0.089 63.005 63.200 -0.176 0.000 0.786 532 S HN 0.402 nan 8.310 nan 0.000 0.492 533 K N 0.881 121.159 120.400 -0.203 0.000 2.400 533 K HA 0.136 4.393 4.320 -0.105 0.000 0.194 533 K C -0.086 176.511 176.600 -0.005 0.000 1.033 533 K CA 0.086 56.307 56.287 -0.110 0.000 1.021 533 K CB 0.215 32.634 32.500 -0.134 0.000 0.808 533 K HN 0.119 nan 8.250 nan 0.000 0.505 534 V N 2.113 122.009 119.914 -0.029 0.000 2.479 534 V HA -0.062 3.995 4.120 -0.105 0.000 0.281 534 V C 1.523 177.613 176.094 -0.007 0.000 1.031 534 V CA 0.102 62.412 62.300 0.016 0.000 1.038 534 V CB 1.268 33.075 31.823 -0.027 0.000 0.981 534 V HN -0.006 nan 8.190 nan 0.000 0.478 535 V N 5.285 125.216 119.914 0.028 0.000 2.453 535 V HA -0.070 3.987 4.120 -0.105 0.000 0.247 535 V C 1.357 177.445 176.094 -0.010 0.000 1.048 535 V CA 1.336 63.647 62.300 0.018 0.000 1.049 535 V CB -0.463 31.386 31.823 0.044 0.000 0.672 535 V HN 0.773 nan 8.190 nan 0.000 0.457 536 R N 0.922 121.392 120.500 -0.051 0.000 2.242 536 R HA 0.165 4.442 4.340 -0.105 0.000 0.334 536 R C -1.746 174.452 176.300 -0.169 0.000 1.071 536 R CA -1.381 54.659 56.100 -0.101 0.000 0.922 536 R CB 0.508 30.679 30.300 -0.215 0.000 1.023 536 R HN 0.252 nan 8.270 nan 0.000 0.458 537 P HA -0.195 nan 4.420 nan 0.000 0.218 537 P C 0.814 178.093 177.300 -0.035 0.000 1.149 537 P CA 1.116 64.196 63.100 -0.033 0.000 0.817 537 P CB -0.011 31.704 31.700 0.024 0.000 0.785 538 Y N -0.953 119.351 120.300 0.007 0.000 2.224 538 Y HA -0.128 4.359 4.550 -0.105 0.000 0.289 538 Y C 1.940 177.850 175.900 0.017 0.000 1.146 538 Y CA 0.952 59.056 58.100 0.008 0.000 1.182 538 Y CB -1.833 36.632 38.460 0.008 0.000 0.983 538 Y HN -0.125 nan 8.280 nan 0.000 0.524 539 I N 0.777 120.957 120.570 -0.650 0.000 2.315 539 I HA -0.231 3.876 4.170 -0.105 0.000 0.248 539 I C 2.519 178.553 176.117 -0.138 0.000 1.117 539 I CA 1.319 62.399 61.300 -0.367 0.000 1.404 539 I CB -0.397 37.362 38.000 -0.402 0.000 1.071 539 I HN 0.193 nan 8.210 nan 0.000 0.419 540 R N 0.863 121.276 120.500 -0.144 0.000 2.081 540 R HA -0.179 4.098 4.340 -0.105 0.000 0.235 540 R C 2.090 178.344 176.300 -0.077 0.000 1.131 540 R CA 1.514 57.542 56.100 -0.121 0.000 0.960 540 R CB -0.344 29.885 30.300 -0.118 0.000 0.856 540 R HN 0.464 nan 8.270 nan 0.000 0.436 541 E N 0.246 120.424 120.200 -0.038 0.000 2.152 541 E HA -0.120 4.167 4.350 -0.105 0.000 0.192 541 E C 2.045 178.653 176.600 0.013 0.000 0.983 541 E CA 0.768 57.164 56.400 -0.008 0.000 0.818 541 E CB 0.022 29.736 29.700 0.024 0.000 0.758 541 E HN 0.280 nan 8.360 nan 0.000 0.467 542 R N 0.423 120.943 120.500 0.034 0.000 2.092 542 R HA -0.072 4.206 4.340 -0.105 0.000 0.231 542 R C 2.348 178.680 176.300 0.054 0.000 1.119 542 R CA 0.910 57.046 56.100 0.060 0.000 0.970 542 R CB -0.210 30.144 30.300 0.090 0.000 0.864 542 R HN 0.042 nan 8.270 nan 0.000 0.440 543 V N 0.334 120.273 119.914 0.041 0.000 2.307 543 V HA -0.196 3.861 4.120 -0.105 0.000 0.245 543 V C 2.314 178.394 176.094 -0.024 0.000 1.045 543 V CA 1.486 63.820 62.300 0.057 0.000 1.024 543 V CB -0.334 31.529 31.823 0.067 0.000 0.651 543 V HN 0.100 nan 8.190 nan 0.000 0.449 544 V N 0.622 120.492 119.914 -0.073 0.000 2.324 544 V HA -0.357 3.700 4.120 -0.105 0.000 0.250 544 V C 2.334 178.383 176.094 -0.076 0.000 1.060 544 V CA 2.576 64.811 62.300 -0.110 0.000 1.042 544 V CB -0.746 31.021 31.823 -0.093 0.000 0.650 544 V HN 0.654 nan 8.190 nan 0.000 0.450 545 D N -1.004 119.386 120.400 -0.018 0.000 2.149 545 D HA -0.190 4.388 4.640 -0.105 0.000 0.198 545 D C 2.285 178.657 176.300 0.120 0.000 0.990 545 D CA 1.125 55.141 54.000 0.027 0.000 0.839 545 D CB -0.014 40.830 40.800 0.074 0.000 0.948 545 D HN 0.341 nan 8.370 nan 0.000 0.460 546 Q N -0.327 119.539 119.800 0.110 0.000 2.123 546 Q HA -0.035 4.242 4.340 -0.105 0.000 0.199 546 Q C 2.542 178.591 176.000 0.082 0.000 0.966 546 Q CA 0.586 56.489 55.803 0.168 0.000 0.845 546 Q CB -0.234 28.597 28.738 0.156 0.000 0.907 546 Q HN 0.446 nan 8.270 nan 0.000 0.439 547 L N 0.096 121.279 121.223 -0.066 0.000 2.131 547 L HA -0.129 4.148 4.340 -0.105 0.000 0.210 547 L C 2.393 179.145 176.870 -0.198 0.000 1.092 547 L CA 0.986 55.706 54.840 -0.201 0.000 0.759 547 L CB -0.730 41.100 42.059 -0.381 0.000 0.903 547 L HN 0.084 nan 8.230 nan 0.000 0.435 548 A N -0.373 122.340 122.820 -0.179 0.000 2.019 548 A HA -0.223 4.035 4.320 -0.105 0.000 0.219 548 A C 1.837 179.228 177.584 -0.322 0.000 1.164 548 A CA 1.516 53.406 52.037 -0.245 0.000 0.644 548 A CB -0.768 18.076 19.000 -0.259 0.000 0.805 548 A HN 0.472 nan 8.150 nan 0.000 0.449 549 H N -1.197 117.706 119.070 -0.279 0.000 2.547 549 H HA 0.207 4.701 4.556 -0.104 0.000 0.272 549 H C 1.623 176.738 175.328 -0.356 0.000 0.989 549 H CA 1.147 56.917 56.048 -0.462 0.000 1.214 549 H CB 0.013 29.190 29.762 -0.975 0.000 1.389 549 H HN 0.510 nan 8.280 nan 0.000 0.577 550 I N -1.005 119.504 120.570 -0.102 0.000 2.499 550 I HA 0.040 4.148 4.170 -0.105 0.000 0.243 550 I C -0.055 175.998 176.117 -0.106 0.000 1.085 550 I CA 0.617 61.902 61.300 -0.025 0.000 1.422 550 I CB 0.607 38.607 38.000 0.001 0.000 1.165 550 I HN 0.115 nan 8.210 nan 0.000 0.440 551 D N -0.382 119.880 120.400 -0.230 0.000 2.804 551 D HA 0.132 4.710 4.640 -0.105 0.000 0.209 551 D C 0.420 176.551 176.300 -0.281 0.000 1.314 551 D CA -0.342 53.499 54.000 -0.266 0.000 0.894 551 D CB 1.207 41.711 40.800 -0.494 0.000 1.615 551 D HN -0.057 nan 8.370 nan 0.000 0.571 552 L N 3.016 124.135 121.223 -0.174 0.000 2.081 552 L HA -0.127 4.150 4.340 -0.105 0.000 0.212 552 L C 1.346 178.135 176.870 -0.134 0.000 1.080 552 L CA 2.048 56.800 54.840 -0.146 0.000 0.754 552 L CB -0.605 41.398 42.059 -0.094 0.000 0.893 552 L HN 0.604 nan 8.230 nan 0.000 0.433 553 T N 0.511 115.009 114.554 -0.094 0.000 2.746 553 T HA -0.204 4.083 4.350 -0.105 0.000 0.267 553 T C 1.794 176.432 174.700 -0.103 0.000 1.039 553 T CA 1.585 63.672 62.100 -0.021 0.000 1.142 553 T CB -0.292 68.658 68.868 0.136 0.000 0.866 553 T HN 0.334 nan 8.240 nan 0.000 0.444 554 L N 1.504 122.499 121.223 -0.380 0.000 2.056 554 L HA 0.139 4.416 4.340 -0.105 0.000 0.207 554 L C 2.570 179.222 176.870 -0.364 0.000 1.078 554 L CA 1.914 56.391 54.840 -0.606 0.000 0.749 554 L CB -1.079 40.163 42.059 -1.362 0.000 0.901 554 L HN 0.185 nan 8.230 nan 0.000 0.433 555 A N -0.549 122.069 122.820 -0.336 0.000 1.851 555 A HA -0.296 3.961 4.320 -0.105 0.000 0.216 555 A C 2.205 179.693 177.584 -0.160 0.000 1.195 555 A CA 2.166 54.056 52.037 -0.246 0.000 0.622 555 A CB -0.880 17.989 19.000 -0.220 0.000 0.831 555 A HN 0.687 nan 8.150 nan 0.000 0.444 556 Q N -0.791 118.938 119.800 -0.118 0.000 2.096 556 Q HA -0.170 4.108 4.340 -0.105 0.000 0.204 556 Q C 2.445 178.419 176.000 -0.043 0.000 0.982 556 Q CA 1.500 57.262 55.803 -0.069 0.000 0.850 556 Q CB -0.429 28.282 28.738 -0.044 0.000 0.901 556 Q HN 0.701 nan 8.270 nan 0.000 0.422 557 A N 0.447 123.246 122.820 -0.035 0.000 1.877 557 A HA -0.133 4.124 4.320 -0.105 0.000 0.216 557 A C 2.367 179.952 177.584 0.002 0.000 1.186 557 A CA 1.420 53.463 52.037 0.011 0.000 0.620 557 A CB -0.681 18.356 19.000 0.062 0.000 0.822 557 A HN 0.205 nan 8.150 nan 0.000 0.443 558 V N -0.056 119.832 119.914 -0.043 0.000 2.307 558 V HA -0.229 3.828 4.120 -0.105 0.000 0.245 558 V C 3.077 179.143 176.094 -0.046 0.000 1.045 558 V CA 1.868 64.143 62.300 -0.041 0.000 1.024 558 V CB -1.411 30.341 31.823 -0.117 0.000 0.651 558 V HN 0.613 nan 8.190 nan 0.000 0.449 559 A N 0.025 122.804 122.820 -0.069 0.000 1.927 559 A HA -0.353 3.905 4.320 -0.105 0.000 0.220 559 A C 2.355 179.922 177.584 -0.029 0.000 1.185 559 A CA 2.606 54.610 52.037 -0.055 0.000 0.639 559 A CB -0.610 18.354 19.000 -0.060 0.000 0.820 559 A HN 0.561 nan 8.150 nan 0.000 0.451 560 K N -0.668 119.723 120.400 -0.016 0.000 2.097 560 K HA -0.175 4.082 4.320 -0.105 0.000 0.206 560 K C 1.388 177.994 176.600 0.011 0.000 1.049 560 K CA 1.539 57.827 56.287 0.001 0.000 0.933 560 K CB -0.205 32.302 32.500 0.011 0.000 0.717 560 K HN 0.441 nan 8.250 nan 0.000 0.442 561 N N 0.464 119.175 118.700 0.018 0.000 2.459 561 N HA -0.086 4.591 4.740 -0.105 0.000 0.181 561 N C 0.790 176.307 175.510 0.012 0.000 1.046 561 N CA 0.665 53.733 53.050 0.030 0.000 0.904 561 N CB 0.140 38.660 38.487 0.054 0.000 0.964 561 N HN 0.152 nan 8.380 nan 0.000 0.444 562 L N -0.455 120.763 121.223 -0.007 0.000 2.667 562 L HA 0.317 4.594 4.340 -0.105 0.000 0.232 562 L C 1.169 178.030 176.870 -0.015 0.000 1.138 562 L CA -0.024 54.803 54.840 -0.021 0.000 0.921 562 L CB -0.837 41.196 42.059 -0.043 0.000 1.180 562 L HN 0.165 nan 8.230 nan 0.000 0.487 563 G N 0.683 109.479 108.800 -0.006 0.000 2.221 563 G HA2 -0.296 3.601 3.960 -0.105 0.000 0.265 563 G HA3 -0.296 3.601 3.960 -0.105 0.000 0.265 563 G C 0.315 175.210 174.900 -0.008 0.000 1.041 563 G CA 0.328 45.426 45.100 -0.003 0.000 0.807 563 G HN 0.324 nan 8.290 nan 0.000 0.502 564 I N -0.081 120.480 120.570 -0.015 0.000 2.460 564 I HA 0.374 4.482 4.170 -0.105 0.000 0.298 564 I C 0.040 176.145 176.117 -0.021 0.000 0.989 564 I CA -0.791 60.497 61.300 -0.019 0.000 1.173 564 I CB 1.615 39.597 38.000 -0.029 0.000 1.338 564 I HN -0.045 nan 8.210 nan 0.000 0.456 565 E N 5.839 126.028 120.200 -0.019 0.000 2.092 565 E HA 0.259 4.547 4.350 -0.105 0.000 0.271 565 E C -0.855 175.728 176.600 -0.029 0.000 0.919 565 E CA -0.935 55.452 56.400 -0.021 0.000 0.760 565 E CB 1.416 31.107 29.700 -0.014 0.000 1.106 565 E HN 0.271 nan 8.360 nan 0.000 0.408 566 L N 2.654 123.854 121.223 -0.038 0.000 2.499 566 L HA -0.002 4.275 4.340 -0.105 0.000 0.281 566 L C 1.487 178.333 176.870 -0.040 0.000 1.234 566 L CA 0.615 55.426 54.840 -0.049 0.000 0.839 566 L CB -0.283 41.737 42.059 -0.064 0.000 1.104 566 L HN 0.552 nan 8.230 nan 0.000 0.500 567 T N -1.677 112.852 114.554 -0.043 0.000 2.824 567 T HA 0.217 4.504 4.350 -0.105 0.000 0.277 567 T C 1.046 175.721 174.700 -0.042 0.000 0.975 567 T CA -0.001 62.077 62.100 -0.035 0.000 0.966 567 T CB 0.562 69.411 68.868 -0.031 0.000 1.054 567 T HN 0.634 nan 8.240 nan 0.000 0.533 568 D N 0.587 120.966 120.400 -0.034 0.000 2.126 568 D HA -0.195 4.382 4.640 -0.105 0.000 0.190 568 D C 1.368 177.642 176.300 -0.043 0.000 1.001 568 D CA 1.458 55.438 54.000 -0.034 0.000 0.841 568 D CB -0.394 40.392 40.800 -0.025 0.000 0.949 568 D HN 0.542 nan 8.370 nan 0.000 0.446 569 D N 0.157 120.531 120.400 -0.044 0.000 2.117 569 D HA -0.130 4.448 4.640 -0.105 0.000 0.197 569 D C 2.246 178.494 176.300 -0.086 0.000 0.987 569 D CA 0.924 54.892 54.000 -0.053 0.000 0.829 569 D CB -0.322 40.454 40.800 -0.040 0.000 0.961 569 D HN 0.409 nan 8.370 nan 0.000 0.460 570 Q N -0.283 119.461 119.800 -0.094 0.000 2.124 570 Q HA -0.102 4.175 4.340 -0.105 0.000 0.202 570 Q C 2.009 177.924 176.000 -0.143 0.000 0.977 570 Q CA 0.506 56.223 55.803 -0.144 0.000 0.850 570 Q CB 0.013 28.675 28.738 -0.126 0.000 0.901 570 Q HN 0.155 nan 8.270 nan 0.000 0.429 571 L N 1.052 122.216 121.223 -0.099 0.000 2.191 571 L HA -0.136 4.141 4.340 -0.105 0.000 0.212 571 L C 1.159 177.980 176.870 -0.081 0.000 1.103 571 L CA 1.510 56.300 54.840 -0.084 0.000 0.769 571 L CB -0.355 41.669 42.059 -0.059 0.000 0.908 571 L HN 0.232 nan 8.230 nan 0.000 0.438 572 N N -0.872 117.781 118.700 -0.080 0.000 2.270 572 N HA 0.145 4.822 4.740 -0.105 0.000 0.198 572 N C 0.394 175.853 175.510 -0.085 0.000 1.117 572 N CA 0.005 53.015 53.050 -0.067 0.000 0.845 572 N CB 0.269 38.726 38.487 -0.050 0.000 0.980 572 N HN 0.244 nan 8.380 nan 0.000 0.486 573 I N 1.635 122.125 120.570 -0.133 0.000 2.668 573 I HA -0.080 4.028 4.170 -0.105 0.000 0.285 573 I C 0.440 176.487 176.117 -0.117 0.000 1.168 573 I CA 0.525 61.724 61.300 -0.168 0.000 1.424 573 I CB 0.209 38.012 38.000 -0.328 0.000 1.377 573 I HN -0.138 nan 8.210 nan 0.000 0.560 574 T N 8.354 122.863 114.554 -0.074 0.000 2.851 574 T HA 0.180 4.467 4.350 -0.105 0.000 0.298 574 T C -1.935 172.741 174.700 -0.040 0.000 0.977 574 T CA -0.848 61.227 62.100 -0.041 0.000 1.126 574 T CB 0.361 69.221 68.868 -0.013 0.000 0.916 574 T HN 0.438 nan 8.240 nan 0.000 0.529 575 P HA 0.198 nan 4.420 nan 0.000 0.269 575 P C -2.450 174.868 177.300 0.029 0.000 1.215 575 P CA -1.291 61.803 63.100 -0.010 0.000 0.780 575 P CB -0.372 31.331 31.700 0.004 0.000 0.898 576 P HA 0.244 nan 4.420 nan 0.000 0.273 576 P C -2.447 174.908 177.300 0.092 0.000 1.250 576 P CA -1.283 61.882 63.100 0.109 0.000 0.793 576 P CB -1.219 30.595 31.700 0.189 0.000 1.011 577 P HA 0.142 nan 4.420 nan 0.000 0.271 577 P C -0.356 176.997 177.300 0.089 0.000 1.233 577 P CA 0.144 63.294 63.100 0.084 0.000 0.789 577 P CB 0.125 31.876 31.700 0.085 0.000 0.951 578 D N -0.331 120.114 120.400 0.075 0.000 2.357 578 D HA 0.107 4.684 4.640 -0.105 0.000 0.242 578 D C -0.200 176.150 176.300 0.084 0.000 1.153 578 D CA -0.061 53.980 54.000 0.067 0.000 0.918 578 D CB 0.391 41.224 40.800 0.055 0.000 1.181 578 D HN -0.057 nan 8.370 nan 0.000 0.435 579 V N 2.747 122.698 119.914 0.062 0.000 2.427 579 V HA 0.014 4.071 4.120 -0.105 0.000 0.268 579 V C 0.233 176.409 176.094 0.137 0.000 1.046 579 V CA -0.418 61.942 62.300 0.099 0.000 0.970 579 V CB -0.177 31.613 31.823 -0.054 0.000 1.001 579 V HN 0.593 nan 8.190 nan 0.000 0.476 580 N N 4.737 123.545 118.700 0.180 0.000 2.702 580 N HA -0.245 4.432 4.740 -0.105 0.000 0.255 580 N C 1.201 176.772 175.510 0.101 0.000 0.983 580 N CA 1.180 54.322 53.050 0.152 0.000 0.768 580 N CB -0.944 37.676 38.487 0.222 0.000 0.918 580 N HN 1.274 nan 8.380 nan 0.000 0.540 581 G N -2.293 106.553 108.800 0.078 0.000 2.234 581 G HA2 -0.354 3.543 3.960 -0.105 0.000 0.260 581 G HA3 -0.354 3.543 3.960 -0.105 0.000 0.260 581 G C 0.302 175.231 174.900 0.048 0.000 0.987 581 G CA 0.420 45.553 45.100 0.056 0.000 0.625 581 G HN 0.437 nan 8.290 nan 0.000 0.532 582 L N 0.529 121.784 121.223 0.053 0.000 2.482 582 L HA 0.391 4.668 4.340 -0.105 0.000 0.273 582 L C 1.533 178.417 176.870 0.023 0.000 1.228 582 L CA 0.854 55.715 54.840 0.036 0.000 0.827 582 L CB 0.451 42.530 42.059 0.033 0.000 1.099 582 L HN 0.335 nan 8.230 nan 0.000 0.494 583 K N 1.579 121.985 120.400 0.010 0.000 2.609 583 K HA 0.254 4.511 4.320 -0.105 0.000 0.195 583 K C -0.770 175.819 176.600 -0.018 0.000 1.144 583 K CA -0.337 55.953 56.287 0.005 0.000 1.084 583 K CB 0.692 33.196 32.500 0.008 0.000 0.877 583 K HN 0.761 nan 8.250 nan 0.000 0.540 584 K N -0.145 120.240 120.400 -0.025 0.000 3.035 584 K HA 0.148 4.405 4.320 -0.105 0.000 0.330 584 K C -2.454 174.125 176.600 -0.036 0.000 1.164 584 K CA -0.566 55.687 56.287 -0.056 0.000 0.919 584 K CB 0.281 32.731 32.500 -0.084 0.000 1.368 584 K HN -0.119 nan 8.250 nan 0.000 0.385 585 D N 2.940 123.313 120.400 -0.045 0.000 2.375 585 D HA 0.269 4.846 4.640 -0.105 0.000 0.241 585 D C -1.979 174.308 176.300 -0.021 0.000 1.361 585 D CA -1.881 52.115 54.000 -0.006 0.000 0.995 585 D CB 2.017 42.836 40.800 0.031 0.000 1.312 585 D HN 0.296 nan 8.370 nan 0.000 0.576 586 P HA -0.133 nan 4.420 nan 0.000 0.221 586 P C 1.237 178.538 177.300 0.002 0.000 1.145 586 P CA 0.812 63.892 63.100 -0.035 0.000 0.795 586 P CB 0.088 31.776 31.700 -0.018 0.000 0.775 587 S N -1.024 114.708 115.700 0.053 0.000 2.547 587 S HA -0.025 4.382 4.470 -0.105 0.000 0.235 587 S C 1.748 176.444 174.600 0.159 0.000 0.980 587 S CA 0.519 58.788 58.200 0.114 0.000 0.941 587 S CB -1.358 61.928 63.200 0.143 0.000 0.763 587 S HN 0.133 nan 8.310 nan 0.000 0.532 588 L N 1.229 122.510 121.223 0.097 0.000 2.509 588 L HA 0.235 4.512 4.340 -0.105 0.000 0.222 588 L C 1.468 178.280 176.870 -0.096 0.000 1.123 588 L CA 0.099 55.005 54.840 0.111 0.000 0.856 588 L CB -0.203 41.913 42.059 0.095 0.000 0.985 588 L HN 0.349 nan 8.230 nan 0.000 0.456 589 S N -0.497 115.116 115.700 -0.145 0.000 2.610 589 S HA 0.302 4.709 4.470 -0.105 0.000 0.273 589 S C 1.017 175.523 174.600 -0.156 0.000 1.274 589 S CA -0.616 57.439 58.200 -0.242 0.000 1.023 589 S CB 1.499 64.542 63.200 -0.262 0.000 0.962 589 S HN 0.160 nan 8.310 nan 0.000 0.523 590 L N 2.418 123.481 121.223 -0.266 0.000 2.131 590 L HA 0.058 4.335 4.340 -0.105 0.000 0.206 590 L C 1.021 177.638 176.870 -0.421 0.000 1.087 590 L CA 1.058 55.642 54.840 -0.427 0.000 0.767 590 L CB -0.239 41.312 42.059 -0.846 0.000 0.917 590 L HN 0.788 nan 8.230 nan 0.000 0.441 591 Y N -2.287 118.012 120.300 -0.002 0.000 2.467 591 Y HA 0.313 4.800 4.550 -0.104 0.000 0.259 591 Y C 2.277 178.185 175.900 0.014 0.000 1.084 591 Y CA -0.028 58.108 58.100 0.061 0.000 1.275 591 Y CB -0.653 37.873 38.460 0.110 0.000 1.208 591 Y HN -0.028 nan 8.280 nan 0.000 0.511 592 A N 1.151 123.987 122.820 0.026 0.000 1.929 592 A HA -0.223 4.035 4.320 -0.105 0.000 0.221 592 A C 1.035 178.649 177.584 0.050 0.000 1.211 592 A CA 1.567 53.596 52.037 -0.014 0.000 0.657 592 A CB -1.130 17.816 19.000 -0.090 0.000 0.827 592 A HN 0.365 nan 8.150 nan 0.000 0.462 593 I N 1.532 122.141 120.570 0.065 0.000 2.337 593 I HA 0.207 4.314 4.170 -0.105 0.000 0.285 593 I C -2.250 173.938 176.117 0.119 0.000 1.041 593 I CA -2.225 59.123 61.300 0.080 0.000 1.199 593 I CB 1.288 39.324 38.000 0.060 0.000 1.370 593 I HN 0.091 nan 8.210 nan 0.000 0.470 594 P HA -0.075 nan 4.420 nan 0.000 0.257 594 P C -0.383 176.995 177.300 0.130 0.000 1.162 594 P CA 0.516 63.712 63.100 0.160 0.000 0.762 594 P CB 0.436 32.215 31.700 0.131 0.000 0.753 595 D N 0.858 121.343 120.400 0.142 0.000 2.530 595 D HA 0.085 4.662 4.640 -0.105 0.000 0.253 595 D C 0.847 177.205 176.300 0.098 0.000 1.338 595 D CA -0.287 53.776 54.000 0.105 0.000 0.806 595 D CB -0.644 40.213 40.800 0.095 0.000 1.160 595 D HN 0.329 nan 8.370 nan 0.000 0.514 596 G N 0.105 108.978 108.800 0.122 0.000 2.707 596 G HA2 0.264 4.161 3.960 -0.105 0.000 0.231 596 G HA3 0.264 4.161 3.960 -0.105 0.000 0.231 596 G C -0.543 174.395 174.900 0.063 0.000 1.246 596 G CA 0.275 45.435 45.100 0.099 0.000 0.852 596 G HN 0.204 nan 8.290 nan 0.000 0.584 597 D N -0.760 119.667 120.400 0.045 0.000 2.896 597 D HA 0.305 4.882 4.640 -0.105 0.000 0.241 597 D C 0.930 177.243 176.300 0.022 0.000 1.188 597 D CA -0.298 53.717 54.000 0.025 0.000 0.879 597 D CB 1.951 42.758 40.800 0.010 0.000 1.553 597 D HN 0.335 nan 8.370 nan 0.000 0.515 598 V N 1.485 121.406 119.914 0.011 0.000 3.354 598 V HA 0.264 4.321 4.120 -0.105 0.000 0.258 598 V C 1.003 177.087 176.094 -0.016 0.000 1.159 598 V CA 0.192 62.495 62.300 0.005 0.000 1.125 598 V CB -0.611 31.209 31.823 -0.004 0.000 0.774 598 V HN 0.419 nan 8.190 nan 0.000 0.464 599 K N 1.457 121.840 120.400 -0.029 0.000 2.419 599 K HA 0.396 4.654 4.320 -0.105 0.000 0.282 599 K C 1.165 177.744 176.600 -0.033 0.000 1.056 599 K CA 1.074 57.327 56.287 -0.056 0.000 1.035 599 K CB -0.029 32.438 32.500 -0.054 0.000 0.921 599 K HN 0.703 nan 8.250 nan 0.000 0.472 600 G N 3.488 112.265 108.800 -0.038 0.000 2.232 600 G HA2 -0.198 3.699 3.960 -0.105 0.000 0.226 600 G HA3 -0.198 3.699 3.960 -0.105 0.000 0.226 600 G C 0.020 174.994 174.900 0.125 0.000 0.996 600 G CA -0.441 44.709 45.100 0.082 0.000 0.626 600 G HN 0.556 nan 8.290 nan 0.000 0.509 601 R N 0.105 120.643 120.500 0.064 0.000 2.801 601 R HA 0.580 4.858 4.340 -0.105 0.000 0.273 601 R C 0.298 176.668 176.300 0.116 0.000 1.080 601 R CA 0.052 56.207 56.100 0.091 0.000 1.197 601 R CB 0.341 30.684 30.300 0.072 0.000 1.109 601 R HN 0.372 nan 8.270 nan 0.000 0.535 602 V N 0.570 120.560 119.914 0.127 0.000 2.735 602 V HA 0.421 4.478 4.120 -0.105 0.000 0.310 602 V C -0.229 175.927 176.094 0.104 0.000 1.061 602 V CA -0.896 61.487 62.300 0.139 0.000 0.913 602 V CB 2.431 34.350 31.823 0.161 0.000 1.005 602 V HN 0.366 nan 8.190 nan 0.000 0.428 603 V N 2.395 122.366 119.914 0.095 0.000 2.555 603 V HA 0.798 4.856 4.120 -0.105 0.000 0.302 603 V C 0.295 176.444 176.094 0.091 0.000 1.038 603 V CA -0.602 61.745 62.300 0.077 0.000 0.887 603 V CB 1.947 33.800 31.823 0.052 0.000 0.991 603 V HN 1.050 nan 8.190 nan 0.000 0.434 604 A N 5.751 128.631 122.820 0.100 0.000 2.301 604 A HA 0.802 5.060 4.320 -0.105 0.000 0.298 604 A C -0.484 177.118 177.584 0.031 0.000 1.185 604 A CA -0.352 51.739 52.037 0.090 0.000 0.830 604 A CB 0.180 19.273 19.000 0.155 0.000 1.112 604 A HN 0.764 nan 8.150 nan 0.000 0.508 605 I N 3.766 124.349 120.570 0.022 0.000 2.359 605 I HA 0.196 4.303 4.170 -0.105 0.000 0.284 605 I C -0.571 175.552 176.117 0.010 0.000 1.018 605 I CA -0.209 61.102 61.300 0.018 0.000 1.173 605 I CB 1.150 39.171 38.000 0.036 0.000 1.326 605 I HN 0.479 nan 8.210 nan 0.000 0.462 606 L N 7.175 128.381 121.223 -0.028 0.000 2.325 606 L HA 0.384 4.661 4.340 -0.105 0.000 0.284 606 L C 0.100 177.036 176.870 0.110 0.000 1.089 606 L CA -0.180 54.676 54.840 0.027 0.000 0.836 606 L CB 0.401 42.341 42.059 -0.198 0.000 1.184 606 L HN 0.481 nan 8.230 nan 0.000 0.444 607 L N 3.763 125.103 121.223 0.195 0.000 2.448 607 L HA 0.423 4.700 4.340 -0.105 0.000 0.258 607 L C -0.029 176.975 176.870 0.224 0.000 1.104 607 L CA -0.598 54.314 54.840 0.121 0.000 0.800 607 L CB 1.198 43.250 42.059 -0.011 0.000 1.241 607 L HN 0.692 nan 8.230 nan 0.000 0.472 608 N N -2.252 116.489 118.700 0.069 0.000 2.902 608 N HA 0.213 4.890 4.740 -0.105 0.000 0.268 608 N C -0.491 174.951 175.510 -0.113 0.000 1.450 608 N CA -0.757 52.368 53.050 0.125 0.000 0.819 608 N CB 0.381 38.959 38.487 0.151 0.000 1.540 608 N HN 0.486 nan 8.380 nan 0.000 0.545 609 D N -1.841 118.538 120.400 -0.035 0.000 2.317 609 D HA -0.037 4.541 4.640 -0.105 0.000 0.211 609 D C -0.105 176.155 176.300 -0.066 0.000 0.966 609 D CA 0.967 54.909 54.000 -0.098 0.000 0.876 609 D CB 0.064 40.873 40.800 0.015 0.000 0.927 609 D HN 0.676 nan 8.370 nan 0.000 0.519 610 E N 0.341 120.523 120.200 -0.030 0.000 3.896 610 E HA 0.255 4.543 4.350 -0.105 0.000 0.217 610 E C -1.098 175.488 176.600 -0.022 0.000 1.150 610 E CA -0.445 55.941 56.400 -0.024 0.000 1.338 610 E CB 0.560 30.257 29.700 -0.006 0.000 1.242 610 E HN -0.079 nan 8.360 nan 0.000 0.435 611 V N 1.593 121.484 119.914 -0.038 0.000 2.872 611 V HA 0.070 4.127 4.120 -0.105 0.000 0.307 611 V C 0.719 176.797 176.094 -0.027 0.000 1.072 611 V CA 0.053 62.336 62.300 -0.029 0.000 1.148 611 V CB 0.770 32.568 31.823 -0.042 0.000 0.954 611 V HN 0.377 nan 8.190 nan 0.000 0.490 612 R N 3.063 123.548 120.500 -0.025 0.000 2.612 612 R HA 0.142 4.419 4.340 -0.105 0.000 0.273 612 R C 1.571 177.851 176.300 -0.034 0.000 1.376 612 R CA 0.266 56.347 56.100 -0.031 0.000 1.171 612 R CB -0.368 29.909 30.300 -0.038 0.000 1.151 612 R HN 0.943 nan 8.270 nan 0.000 0.560 613 S N 0.232 115.914 115.700 -0.030 0.000 2.484 613 S HA -0.267 4.140 4.470 -0.105 0.000 0.250 613 S C 1.791 176.375 174.600 -0.027 0.000 0.995 613 S CA 1.099 59.283 58.200 -0.027 0.000 0.967 613 S CB -0.082 63.104 63.200 -0.024 0.000 0.752 613 S HN 0.494 nan 8.310 nan 0.000 0.517 614 A N 2.208 125.008 122.820 -0.034 0.000 1.897 614 A HA -0.053 4.204 4.320 -0.105 0.000 0.215 614 A C 1.987 179.543 177.584 -0.047 0.000 1.181 614 A CA 1.356 53.370 52.037 -0.037 0.000 0.620 614 A CB -0.537 18.438 19.000 -0.042 0.000 0.821 614 A HN 0.517 nan 8.150 nan 0.000 0.443 615 D N 0.216 120.580 120.400 -0.061 0.000 2.085 615 D HA -0.091 4.487 4.640 -0.105 0.000 0.199 615 D C 2.065 178.343 176.300 -0.036 0.000 0.981 615 D CA 0.792 54.745 54.000 -0.079 0.000 0.834 615 D CB -0.600 40.132 40.800 -0.113 0.000 0.992 615 D HN 0.349 nan 8.370 nan 0.000 0.457 616 L N 0.671 121.880 121.223 -0.023 0.000 1.976 616 L HA -0.250 4.028 4.340 -0.105 0.000 0.223 616 L C 2.697 179.568 176.870 0.001 0.000 1.081 616 L CA 1.232 56.069 54.840 -0.005 0.000 0.784 616 L CB -0.574 41.481 42.059 -0.007 0.000 0.896 616 L HN 0.083 nan 8.230 nan 0.000 0.438 617 L N -0.712 120.508 121.223 -0.005 0.000 1.997 617 L HA -0.303 3.974 4.340 -0.105 0.000 0.216 617 L C 2.840 179.713 176.870 0.005 0.000 1.074 617 L CA 1.647 56.486 54.840 -0.001 0.000 0.763 617 L CB -0.904 41.152 42.059 -0.005 0.000 0.890 617 L HN 0.351 nan 8.230 nan 0.000 0.434 618 A N 0.096 122.917 122.820 0.001 0.000 1.908 618 A HA -0.203 4.054 4.320 -0.105 0.000 0.218 618 A C 2.208 179.813 177.584 0.036 0.000 1.181 618 A CA 1.823 53.866 52.037 0.011 0.000 0.627 618 A CB -0.730 18.268 19.000 -0.003 0.000 0.818 618 A HN 0.384 nan 8.150 nan 0.000 0.445 619 I N -0.500 120.095 120.570 0.041 0.000 2.113 619 I HA -0.277 3.830 4.170 -0.105 0.000 0.238 619 I C 2.401 178.549 176.117 0.051 0.000 1.070 619 I CA 1.412 62.758 61.300 0.075 0.000 1.332 619 I CB -0.405 37.644 38.000 0.082 0.000 1.044 619 I HN 0.281 nan 8.210 nan 0.000 0.402 620 L N 0.465 121.709 121.223 0.034 0.000 2.131 620 L HA -0.209 4.069 4.340 -0.105 0.000 0.210 620 L C 2.604 179.485 176.870 0.018 0.000 1.092 620 L CA 1.225 56.080 54.840 0.026 0.000 0.759 620 L CB -0.524 41.548 42.059 0.023 0.000 0.903 620 L HN 0.246 nan 8.230 nan 0.000 0.435 621 K N 0.419 120.829 120.400 0.017 0.000 2.057 621 K HA -0.157 4.100 4.320 -0.105 0.000 0.206 621 K C 2.137 178.744 176.600 0.011 0.000 1.050 621 K CA 1.256 57.550 56.287 0.012 0.000 0.935 621 K CB -0.014 32.493 32.500 0.011 0.000 0.715 621 K HN 0.261 nan 8.250 nan 0.000 0.439 622 A N 1.274 124.106 122.820 0.021 0.000 1.897 622 A HA -0.056 4.201 4.320 -0.105 0.000 0.215 622 A C 2.092 179.679 177.584 0.005 0.000 1.181 622 A CA 0.938 52.987 52.037 0.020 0.000 0.620 622 A CB -0.511 18.514 19.000 0.041 0.000 0.821 622 A HN 0.268 nan 8.150 nan 0.000 0.443 623 L N -0.537 120.689 121.223 0.005 0.000 1.989 623 L HA -0.222 4.055 4.340 -0.105 0.000 0.211 623 L C 2.618 179.461 176.870 -0.046 0.000 1.071 623 L CA 2.094 56.924 54.840 -0.017 0.000 0.749 623 L CB -0.519 41.536 42.059 -0.007 0.000 0.890 623 L HN 0.453 nan 8.230 nan 0.000 0.431 624 K N 0.470 120.848 120.400 -0.035 0.000 2.211 624 K HA -0.176 4.081 4.320 -0.105 0.000 0.204 624 K C 1.966 178.539 176.600 -0.045 0.000 1.047 624 K CA 1.253 57.511 56.287 -0.047 0.000 0.935 624 K CB -0.069 32.421 32.500 -0.017 0.000 0.728 624 K HN 0.297 nan 8.250 nan 0.000 0.452 625 A N 0.759 123.562 122.820 -0.029 0.000 2.015 625 A HA -0.070 4.188 4.320 -0.105 0.000 0.219 625 A C 1.394 178.958 177.584 -0.033 0.000 1.163 625 A CA 1.225 53.248 52.037 -0.023 0.000 0.646 625 A CB -0.075 18.918 19.000 -0.011 0.000 0.806 625 A HN 0.262 nan 8.150 nan 0.000 0.448 626 K N -1.064 119.310 120.400 -0.044 0.000 2.440 626 K HA 0.265 4.522 4.320 -0.105 0.000 0.206 626 K C 0.580 177.131 176.600 -0.082 0.000 1.025 626 K CA 0.342 56.600 56.287 -0.048 0.000 1.135 626 K CB 0.223 32.702 32.500 -0.035 0.000 0.856 626 K HN 0.536 nan 8.250 nan 0.000 0.502 627 G N 1.850 110.581 108.800 -0.115 0.000 2.323 627 G HA2 -0.231 3.667 3.960 -0.105 0.000 0.292 627 G HA3 -0.231 3.667 3.960 -0.105 0.000 0.292 627 G C -0.040 174.666 174.900 -0.322 0.000 1.040 627 G CA 0.016 44.993 45.100 -0.204 0.000 0.942 627 G HN 0.134 nan 8.290 nan 0.000 0.506 628 V N 0.370 120.127 119.914 -0.261 0.000 2.472 628 V HA 0.530 4.588 4.120 -0.105 0.000 0.290 628 V C 0.687 176.619 176.094 -0.271 0.000 1.037 628 V CA -0.849 61.318 62.300 -0.222 0.000 0.908 628 V CB 1.395 33.168 31.823 -0.083 0.000 0.985 628 V HN 0.498 nan 8.190 nan 0.000 0.454 629 H N 1.548 120.631 119.070 0.021 0.000 2.499 629 H HA 0.806 5.299 4.556 -0.105 0.000 0.352 629 H C 0.147 175.495 175.328 0.034 0.000 1.237 629 H CA 0.139 56.202 56.048 0.025 0.000 1.343 629 H CB 1.344 31.122 29.762 0.027 0.000 1.578 629 H HN 0.865 nan 8.280 nan 0.000 0.577 630 A N 0.918 123.842 122.820 0.173 0.000 2.449 630 A HA 0.541 4.798 4.320 -0.105 0.000 0.302 630 A C -1.207 176.436 177.584 0.098 0.000 1.048 630 A CA -1.037 51.066 52.037 0.109 0.000 0.708 630 A CB 1.146 20.192 19.000 0.077 0.000 1.274 630 A HN 0.767 nan 8.150 nan 0.000 0.410 631 K N 2.206 122.658 120.400 0.086 0.000 2.376 631 K HA 0.702 4.959 4.320 -0.105 0.000 0.257 631 K C -1.530 175.105 176.600 0.058 0.000 0.939 631 K CA -0.536 55.795 56.287 0.073 0.000 0.809 631 K CB 1.570 34.120 32.500 0.083 0.000 1.121 631 K HN 0.490 nan 8.250 nan 0.000 0.425 632 L N 4.186 125.435 121.223 0.043 0.000 2.283 632 L HA 0.292 4.569 4.340 -0.105 0.000 0.287 632 L C -0.823 176.067 176.870 0.032 0.000 1.073 632 L CA -1.002 53.858 54.840 0.033 0.000 0.822 632 L CB 0.301 42.370 42.059 0.016 0.000 1.186 632 L HN 0.464 nan 8.230 nan 0.000 0.436 633 L N 4.553 125.805 121.223 0.048 0.000 2.329 633 L HA 0.550 4.827 4.340 -0.105 0.000 0.279 633 L C -0.449 176.428 176.870 0.011 0.000 1.014 633 L CA -0.207 54.648 54.840 0.025 0.000 0.814 633 L CB 1.426 43.528 42.059 0.071 0.000 1.257 633 L HN 0.312 nan 8.230 nan 0.000 0.424 634 Y N 0.086 120.103 120.300 -0.472 0.000 2.876 634 Y HA 0.398 4.885 4.550 -0.105 0.000 0.317 634 Y C 1.012 176.208 175.900 -1.174 0.000 1.369 634 Y CA -0.743 56.945 58.100 -0.687 0.000 1.101 634 Y CB 1.732 40.030 38.460 -0.270 0.000 1.346 634 Y HN 0.570 nan 8.280 nan 0.000 0.505 635 S N 0.328 115.115 115.700 -1.522 0.000 2.575 635 S HA 0.277 4.684 4.470 -0.105 0.000 0.215 635 S C -0.059 174.206 174.600 -0.559 0.000 0.966 635 S CA -0.046 57.564 58.200 -0.983 0.000 0.911 635 S CB -0.120 62.712 63.200 -0.615 0.000 0.780 635 S HN 0.582 nan 8.310 nan 0.000 0.514 636 R N -1.036 119.195 120.500 -0.448 0.000 2.781 636 R HA 0.670 4.947 4.340 -0.105 0.000 0.269 636 R C -0.717 175.552 176.300 -0.051 0.000 1.025 636 R CA -1.083 54.913 56.100 -0.173 0.000 0.914 636 R CB 0.536 30.779 30.300 -0.095 0.000 1.236 636 R HN -0.101 nan 8.270 nan 0.000 0.465 637 M N -0.016 119.571 119.600 -0.021 0.000 2.116 637 M HA 0.505 4.922 4.480 -0.105 0.000 0.235 637 M C 1.017 177.337 176.300 0.033 0.000 1.193 637 M CA 0.905 56.208 55.300 0.006 0.000 0.959 637 M CB 0.605 33.200 32.600 -0.007 0.000 1.313 637 M HN 1.036 nan 8.290 nan 0.000 0.530 638 G N 0.637 109.449 108.800 0.020 0.000 2.754 638 G HA2 -0.126 3.771 3.960 -0.105 0.000 0.241 638 G HA3 -0.126 3.771 3.960 -0.105 0.000 0.241 638 G C -0.741 174.163 174.900 0.006 0.000 1.281 638 G CA 0.122 45.232 45.100 0.016 0.000 0.971 638 G HN 0.888 nan 8.290 nan 0.000 0.569 639 E N -1.190 119.008 120.200 -0.004 0.000 2.445 639 E HA 0.664 4.951 4.350 -0.105 0.000 0.279 639 E C -0.594 175.949 176.600 -0.096 0.000 1.018 639 E CA -0.633 55.741 56.400 -0.043 0.000 0.816 639 E CB 2.340 32.018 29.700 -0.036 0.000 1.356 639 E HN 1.666 nan 8.360 nan 0.000 0.462 640 V N -2.265 117.554 119.914 -0.159 0.000 3.074 640 V HA 0.756 4.813 4.120 -0.105 0.000 0.314 640 V C -0.538 175.476 176.094 -0.132 0.000 1.117 640 V CA -0.674 61.497 62.300 -0.216 0.000 1.014 640 V CB 1.741 33.307 31.823 -0.429 0.000 1.057 640 V HN 0.756 nan 8.190 nan 0.000 0.438 641 T N 2.373 116.862 114.554 -0.109 0.000 2.779 641 T HA 0.776 5.063 4.350 -0.105 0.000 0.280 641 T C 0.316 174.976 174.700 -0.067 0.000 0.987 641 T CA 0.265 62.323 62.100 -0.070 0.000 0.966 641 T CB 1.309 70.149 68.868 -0.047 0.000 0.933 641 T HN 1.367 nan 8.240 nan 0.000 0.442 642 A N 2.325 125.112 122.820 -0.055 0.000 2.366 642 A HA 0.282 4.539 4.320 -0.105 0.000 0.250 642 A C 1.601 179.164 177.584 -0.036 0.000 1.099 642 A CA -0.162 51.846 52.037 -0.047 0.000 0.794 642 A CB 0.025 19.002 19.000 -0.038 0.000 1.056 642 A HN 0.932 nan 8.150 nan 0.000 0.499 643 D N -0.267 120.115 120.400 -0.031 0.000 2.218 643 D HA -0.185 4.392 4.640 -0.105 0.000 0.204 643 D C 0.727 177.014 176.300 -0.021 0.000 0.976 643 D CA 1.605 55.591 54.000 -0.025 0.000 0.853 643 D CB -0.223 40.564 40.800 -0.022 0.000 0.939 643 D HN 0.605 nan 8.370 nan 0.000 0.481 644 D N -1.334 119.053 120.400 -0.022 0.000 2.349 644 D HA 0.159 4.736 4.640 -0.105 0.000 0.214 644 D C 1.657 177.946 176.300 -0.018 0.000 1.063 644 D CA 0.676 54.665 54.000 -0.018 0.000 0.847 644 D CB 0.024 40.813 40.800 -0.018 0.000 0.933 644 D HN 0.387 nan 8.370 nan 0.000 0.513 645 G N -0.173 108.615 108.800 -0.021 0.000 2.179 645 G HA2 -0.236 3.661 3.960 -0.105 0.000 0.220 645 G HA3 -0.236 3.661 3.960 -0.105 0.000 0.220 645 G C 0.373 175.260 174.900 -0.022 0.000 0.990 645 G CA 0.119 45.207 45.100 -0.020 0.000 0.646 645 G HN 0.415 nan 8.290 nan 0.000 0.517 646 T N 0.748 115.288 114.554 -0.023 0.000 2.928 646 T HA 0.386 4.673 4.350 -0.105 0.000 0.305 646 T C 0.312 174.994 174.700 -0.029 0.000 1.035 646 T CA 0.310 62.396 62.100 -0.023 0.000 1.145 646 T CB 2.384 71.239 68.868 -0.021 0.000 0.963 646 T HN 0.534 nan 8.240 nan 0.000 0.545 647 V N 5.599 125.498 119.914 -0.026 0.000 2.328 647 V HA 0.365 4.422 4.120 -0.105 0.000 0.278 647 V C -0.325 175.749 176.094 -0.032 0.000 1.021 647 V CA -0.642 61.639 62.300 -0.032 0.000 0.838 647 V CB 0.466 32.274 31.823 -0.024 0.000 0.999 647 V HN 0.644 nan 8.190 nan 0.000 0.447 648 L N 9.609 130.803 121.223 -0.048 0.000 2.264 648 L HA 0.514 4.791 4.340 -0.105 0.000 0.289 648 L C -2.203 174.640 176.870 -0.046 0.000 1.044 648 L CA -1.768 53.044 54.840 -0.046 0.000 0.807 648 L CB 1.498 43.519 42.059 -0.063 0.000 1.192 648 L HN 0.421 nan 8.230 nan 0.000 0.425 649 P HA 0.251 nan 4.420 nan 0.000 0.280 649 P C -0.634 176.658 177.300 -0.014 0.000 1.244 649 P CA -0.133 62.957 63.100 -0.016 0.000 0.784 649 P CB 1.091 32.789 31.700 -0.004 0.000 0.913 650 I N 2.244 122.809 120.570 -0.008 0.000 2.315 650 I HA 0.242 4.350 4.170 -0.105 0.000 0.291 650 I C 1.600 177.721 176.117 0.007 0.000 1.006 650 I CA -0.564 60.736 61.300 0.001 0.000 1.265 650 I CB 1.405 39.417 38.000 0.019 0.000 1.387 650 I HN 0.344 nan 8.210 nan 0.000 0.475 651 A N 5.294 128.122 122.820 0.013 0.000 1.897 651 A HA 0.435 4.692 4.320 -0.105 0.000 0.215 651 A C 1.084 178.678 177.584 0.016 0.000 1.181 651 A CA 1.515 53.563 52.037 0.019 0.000 0.620 651 A CB -0.027 18.992 19.000 0.033 0.000 0.821 651 A HN 0.843 nan 8.150 nan 0.000 0.443 652 A N -2.451 120.374 122.820 0.008 0.000 2.564 652 A HA 0.582 4.839 4.320 -0.105 0.000 0.291 652 A C -0.002 177.548 177.584 -0.058 0.000 1.102 652 A CA 0.099 52.134 52.037 -0.003 0.000 0.660 652 A CB -0.270 18.749 19.000 0.032 0.000 1.283 652 A HN 0.754 nan 8.150 nan 0.000 0.430 653 T N -1.731 112.777 114.554 -0.077 0.000 2.847 653 T HA 0.568 4.855 4.350 -0.105 0.000 0.279 653 T C 0.923 175.590 174.700 -0.055 0.000 0.984 653 T CA 0.017 61.997 62.100 -0.200 0.000 0.988 653 T CB 0.141 68.915 68.868 -0.157 0.000 1.040 653 T HN 0.439 nan 8.240 nan 0.000 0.528 654 F N 0.385 120.345 119.950 0.018 0.000 2.102 654 F HA 0.002 4.466 4.527 -0.105 0.000 0.298 654 F C 2.985 178.901 175.800 0.192 0.000 1.105 654 F CA 0.847 58.904 58.000 0.094 0.000 1.239 654 F CB -0.562 38.466 39.000 0.047 0.000 0.991 654 F HN 0.688 nan 8.300 nan 0.000 0.474 655 A N 0.259 123.239 122.820 0.267 0.000 1.970 655 A HA 0.051 4.308 4.320 -0.105 0.000 0.216 655 A C 2.397 180.053 177.584 0.120 0.000 1.170 655 A CA 1.367 53.511 52.037 0.178 0.000 0.645 655 A CB -1.370 17.696 19.000 0.110 0.000 0.816 655 A HN 0.391 nan 8.150 nan 0.000 0.447 656 G N -0.686 108.170 108.800 0.094 0.000 2.403 656 G HA2 0.249 4.146 3.960 -0.105 0.000 0.216 656 G HA3 0.249 4.146 3.960 -0.105 0.000 0.216 656 G C 0.744 175.695 174.900 0.085 0.000 1.154 656 G CA 0.967 46.105 45.100 0.063 0.000 0.784 656 G HN 1.042 nan 8.290 nan 0.000 0.538 657 A N 0.848 123.753 122.820 0.141 0.000 3.105 657 A HA 0.702 4.959 4.320 -0.105 0.000 0.336 657 A C -2.575 175.157 177.584 0.246 0.000 1.042 657 A CA -1.184 50.949 52.037 0.160 0.000 0.851 657 A CB 1.007 20.099 19.000 0.153 0.000 1.068 657 A HN 0.130 nan 8.150 nan 0.000 0.477 658 P HA -0.005 nan 4.420 nan 0.000 0.270 658 P C 1.399 178.525 177.300 -0.290 0.000 1.227 658 P CA 0.533 63.591 63.100 -0.070 0.000 0.788 658 P CB 0.673 32.312 31.700 -0.102 0.000 0.926 659 S N 0.829 115.974 115.700 -0.924 0.000 2.419 659 S HA -0.176 4.231 4.470 -0.105 0.000 0.235 659 S C 1.775 176.198 174.600 -0.295 0.000 1.019 659 S CA 1.262 59.036 58.200 -0.710 0.000 0.982 659 S CB -1.485 61.183 63.200 -0.887 0.000 0.789 659 S HN 0.357 nan 8.310 nan 0.000 0.490 660 L N 1.969 123.030 121.223 -0.270 0.000 2.137 660 L HA -0.113 4.165 4.340 -0.105 0.000 0.213 660 L C 2.988 179.685 176.870 -0.288 0.000 1.085 660 L CA 1.670 56.357 54.840 -0.254 0.000 0.760 660 L CB -1.677 40.214 42.059 -0.279 0.000 0.893 660 L HN 0.630 nan 8.230 nan 0.000 0.434 661 T N -2.855 111.587 114.554 -0.187 0.000 3.148 661 T HA 0.188 4.475 4.350 -0.105 0.000 0.253 661 T C 0.485 175.238 174.700 0.087 0.000 1.134 661 T CA 0.251 62.315 62.100 -0.060 0.000 1.051 661 T CB -0.525 68.385 68.868 0.070 0.000 0.959 661 T HN 0.198 nan 8.240 nan 0.000 0.525 662 V N -1.979 117.961 119.914 0.043 0.000 3.158 662 V HA 0.679 4.736 4.120 -0.105 0.000 0.315 662 V C -0.196 175.931 176.094 0.055 0.000 1.148 662 V CA -0.924 61.431 62.300 0.093 0.000 1.042 662 V CB 1.846 33.743 31.823 0.124 0.000 1.101 662 V HN 0.025 nan 8.190 nan 0.000 0.448 663 D N 0.512 120.950 120.400 0.064 0.000 2.423 663 D HA 0.645 5.222 4.640 -0.105 0.000 0.208 663 D C 0.421 176.709 176.300 -0.019 0.000 1.068 663 D CA 1.170 55.190 54.000 0.034 0.000 0.860 663 D CB 0.931 41.778 40.800 0.078 0.000 0.992 663 D HN 1.078 nan 8.370 nan 0.000 0.504 664 A N -0.155 122.666 122.820 0.002 0.000 2.586 664 A HA 0.609 4.867 4.320 -0.105 0.000 0.291 664 A C -1.798 175.800 177.584 0.024 0.000 1.062 664 A CA -0.649 51.376 52.037 -0.020 0.000 0.666 664 A CB 1.153 20.129 19.000 -0.040 0.000 1.281 664 A HN -0.086 nan 8.150 nan 0.000 0.421 665 V N 1.285 121.207 119.914 0.014 0.000 2.588 665 V HA 0.595 4.652 4.120 -0.105 0.000 0.304 665 V C -0.642 175.456 176.094 0.007 0.000 1.042 665 V CA -0.223 62.101 62.300 0.039 0.000 0.877 665 V CB 1.529 33.399 31.823 0.079 0.000 0.996 665 V HN 0.706 nan 8.190 nan 0.000 0.425 666 I N 4.123 124.703 120.570 0.017 0.000 2.465 666 I HA 0.552 4.659 4.170 -0.105 0.000 0.291 666 I C -0.911 175.230 176.117 0.040 0.000 1.014 666 I CA -0.924 60.411 61.300 0.058 0.000 1.093 666 I CB 2.411 40.475 38.000 0.106 0.000 1.267 666 I HN 0.282 nan 8.210 nan 0.000 0.431 667 V N 7.617 127.571 119.914 0.066 0.000 2.325 667 V HA 0.319 4.376 4.120 -0.105 0.000 0.280 667 V C -2.137 174.005 176.094 0.080 0.000 1.016 667 V CA -1.551 60.773 62.300 0.040 0.000 0.818 667 V CB 1.309 33.137 31.823 0.008 0.000 1.019 667 V HN 0.552 nan 8.190 nan 0.000 0.434 668 P HA 0.142 nan 4.420 nan 0.000 0.274 668 P C 0.321 177.630 177.300 0.015 0.000 1.237 668 P CA -0.213 62.894 63.100 0.013 0.000 0.793 668 P CB 1.082 32.783 31.700 0.001 0.000 0.977 669 C N 1.520 120.805 119.300 -0.025 0.000 2.745 669 C HA 0.588 4.985 4.460 -0.105 0.000 0.387 669 C C 1.177 176.166 174.990 -0.002 0.000 1.312 669 C CA 1.768 60.778 59.018 -0.013 0.000 2.204 669 C CB -1.285 26.428 27.740 -0.044 0.000 2.686 669 C HN 0.916 nan 8.230 nan 0.000 0.705 670 G N 2.498 111.301 108.800 0.006 0.000 2.441 670 G HA2 0.092 3.989 3.960 -0.105 0.000 0.222 670 G HA3 0.092 3.989 3.960 -0.105 0.000 0.222 670 G C -1.070 173.839 174.900 0.015 0.000 1.254 670 G CA -0.091 45.013 45.100 0.006 0.000 0.959 670 G HN 0.923 nan 8.290 nan 0.000 0.474 671 N N 1.629 120.343 118.700 0.023 0.000 2.739 671 N HA 0.192 4.869 4.740 -0.105 0.000 0.266 671 N C 1.578 177.120 175.510 0.053 0.000 1.168 671 N CA -0.524 52.543 53.050 0.028 0.000 1.055 671 N CB -0.146 38.359 38.487 0.029 0.000 1.393 671 N HN 0.366 nan 8.380 nan 0.000 0.514 672 I N 1.408 122.001 120.570 0.039 0.000 2.567 672 I HA -0.184 3.923 4.170 -0.105 0.000 0.257 672 I C 1.949 178.076 176.117 0.017 0.000 1.184 672 I CA 0.614 61.942 61.300 0.047 0.000 1.451 672 I CB -1.503 36.490 38.000 -0.011 0.000 1.089 672 I HN 0.513 nan 8.210 nan 0.000 0.441 673 A N 0.484 123.306 122.820 0.002 0.000 2.070 673 A HA -0.250 4.007 4.320 -0.105 0.000 0.220 673 A C 2.060 179.669 177.584 0.041 0.000 1.159 673 A CA 1.840 53.875 52.037 -0.003 0.000 0.656 673 A CB -0.629 18.369 19.000 -0.003 0.000 0.800 673 A HN 0.400 nan 8.150 nan 0.000 0.453 674 D N 0.050 120.500 120.400 0.083 0.000 2.219 674 D HA -0.112 4.465 4.640 -0.105 0.000 0.205 674 D C 1.491 177.889 176.300 0.164 0.000 0.970 674 D CA 1.610 55.688 54.000 0.129 0.000 0.851 674 D CB -0.098 40.807 40.800 0.175 0.000 0.943 674 D HN 0.643 nan 8.370 nan 0.000 0.488 675 I N -4.672 116.013 120.570 0.191 0.000 4.557 675 I HA 0.471 4.578 4.170 -0.105 0.000 0.333 675 I C 1.684 177.963 176.117 0.270 0.000 1.332 675 I CA -0.114 61.336 61.300 0.251 0.000 1.240 675 I CB 0.048 38.251 38.000 0.337 0.000 1.312 675 I HN -0.108 nan 8.210 nan 0.000 0.457 676 A N 1.463 124.342 122.820 0.097 0.000 2.024 676 A HA -0.138 4.119 4.320 -0.105 0.000 0.220 676 A C 1.551 179.132 177.584 -0.005 0.000 1.164 676 A CA 1.907 53.865 52.037 -0.131 0.000 0.643 676 A CB -0.456 18.364 19.000 -0.299 0.000 0.806 676 A HN 0.528 nan 8.150 nan 0.000 0.451 677 D N -0.592 119.832 120.400 0.041 0.000 2.402 677 D HA 0.021 4.598 4.640 -0.105 0.000 0.216 677 D C -0.104 176.240 176.300 0.073 0.000 1.128 677 D CA -0.138 53.888 54.000 0.042 0.000 0.833 677 D CB -0.119 40.692 40.800 0.020 0.000 0.971 677 D HN 0.288 nan 8.370 nan 0.000 0.503 678 N N 1.096 119.865 118.700 0.114 0.000 2.401 678 N HA 0.038 4.715 4.740 -0.105 0.000 0.255 678 N C 1.330 176.902 175.510 0.103 0.000 1.110 678 N CA -0.015 53.105 53.050 0.115 0.000 0.949 678 N CB 1.410 39.993 38.487 0.159 0.000 1.110 678 N HN -0.000 nan 8.380 nan 0.000 0.490 679 G N 3.047 111.899 108.800 0.087 0.000 2.448 679 G HA2 -0.234 3.663 3.960 -0.105 0.000 0.219 679 G HA3 -0.234 3.663 3.960 -0.105 0.000 0.219 679 G C 1.005 175.970 174.900 0.108 0.000 1.127 679 G CA 0.429 45.578 45.100 0.083 0.000 0.766 679 G HN 0.544 nan 8.290 nan 0.000 0.552 680 D N 0.592 121.067 120.400 0.125 0.000 2.149 680 D HA 0.086 4.663 4.640 -0.105 0.000 0.201 680 D C 2.785 179.085 176.300 0.000 0.000 0.972 680 D CA 1.013 55.118 54.000 0.176 0.000 0.835 680 D CB -0.256 40.721 40.800 0.294 0.000 0.966 680 D HN 0.275 nan 8.370 nan 0.000 0.476 681 A N 0.829 123.522 122.820 -0.213 0.000 1.898 681 A HA -0.151 4.106 4.320 -0.105 0.000 0.216 681 A C 1.990 179.363 177.584 -0.352 0.000 1.181 681 A CA 1.116 52.759 52.037 -0.656 0.000 0.620 681 A CB -0.411 18.242 19.000 -0.579 0.000 0.819 681 A HN 0.158 nan 8.150 nan 0.000 0.442 682 N N -1.523 117.136 118.700 -0.069 0.000 2.142 682 N HA -0.166 4.511 4.740 -0.105 0.000 0.186 682 N C 1.721 177.240 175.510 0.015 0.000 1.023 682 N CA 1.637 54.699 53.050 0.020 0.000 0.852 682 N CB -0.425 38.151 38.487 0.148 0.000 0.998 682 N HN 0.694 nan 8.380 nan 0.000 0.424 683 Y N 0.707 120.979 120.300 -0.045 0.000 2.207 683 Y HA -0.310 4.177 4.550 -0.105 0.000 0.287 683 Y C 2.441 178.305 175.900 -0.061 0.000 1.156 683 Y CA 1.292 59.365 58.100 -0.046 0.000 1.182 683 Y CB -0.309 38.133 38.460 -0.030 0.000 0.979 683 Y HN 0.019 nan 8.280 nan 0.000 0.521 684 Y N 0.440 120.559 120.300 -0.301 0.000 2.151 684 Y HA -0.336 4.151 4.550 -0.104 0.000 0.284 684 Y C 2.037 177.710 175.900 -0.378 0.000 1.166 684 Y CA 2.136 60.022 58.100 -0.356 0.000 1.163 684 Y CB -0.403 37.852 38.460 -0.341 0.000 0.974 684 Y HN 0.142 nan 8.280 nan 0.000 0.511 685 L N -1.261 119.872 121.223 -0.150 0.000 2.179 685 L HA -0.191 4.086 4.340 -0.105 0.000 0.208 685 L C 2.310 179.073 176.870 -0.179 0.000 1.096 685 L CA 0.939 55.688 54.840 -0.153 0.000 0.779 685 L CB -0.416 41.521 42.059 -0.204 0.000 0.922 685 L HN 0.272 nan 8.230 nan 0.000 0.443 686 M N -0.582 118.875 119.600 -0.238 0.000 2.175 686 M HA -0.212 4.205 4.480 -0.105 0.000 0.264 686 M C 2.156 178.260 176.300 -0.326 0.000 1.063 686 M CA 1.641 56.817 55.300 -0.207 0.000 1.119 686 M CB -0.355 32.178 32.600 -0.111 0.000 1.377 686 M HN 0.214 nan 8.290 nan 0.000 0.415 687 E N 0.718 120.535 120.200 -0.638 0.000 2.047 687 E HA -0.154 4.133 4.350 -0.105 0.000 0.191 687 E C 2.065 178.335 176.600 -0.551 0.000 0.987 687 E CA 1.205 57.171 56.400 -0.724 0.000 0.799 687 E CB 0.033 29.192 29.700 -0.902 0.000 0.752 687 E HN 0.459 nan 8.360 nan 0.000 0.449 688 A N 0.293 122.886 122.820 -0.379 0.000 1.933 688 A HA -0.209 4.048 4.320 -0.105 0.000 0.218 688 A C 2.024 179.506 177.584 -0.171 0.000 1.175 688 A CA 1.459 53.358 52.037 -0.230 0.000 0.628 688 A CB -0.883 18.031 19.000 -0.144 0.000 0.814 688 A HN 0.537 nan 8.150 nan 0.000 0.444 689 Y N 0.665 120.811 120.300 -0.256 0.000 2.089 689 Y HA -0.237 4.251 4.550 -0.104 0.000 0.282 689 Y C 2.432 178.205 175.900 -0.211 0.000 1.139 689 Y CA 2.428 60.407 58.100 -0.202 0.000 1.123 689 Y CB -0.319 38.043 38.460 -0.164 0.000 0.980 689 Y HN 0.334 nan 8.280 nan 0.000 0.493 690 K N -0.586 119.694 120.400 -0.199 0.000 2.113 690 K HA -0.250 4.008 4.320 -0.105 0.000 0.208 690 K C 1.050 177.491 176.600 -0.266 0.000 1.047 690 K CA 2.174 58.298 56.287 -0.272 0.000 0.928 690 K CB -0.520 31.780 32.500 -0.333 0.000 0.716 690 K HN 0.602 nan 8.250 nan 0.000 0.446 691 H N 0.561 119.508 119.070 -0.204 0.000 2.555 691 H HA 0.196 4.690 4.556 -0.104 0.000 0.283 691 H C -0.030 175.128 175.328 -0.284 0.000 1.037 691 H CA 0.177 56.096 56.048 -0.215 0.000 1.169 691 H CB 0.088 29.720 29.762 -0.216 0.000 1.375 691 H HN 0.134 nan 8.280 nan 0.000 0.582 692 L N -0.124 120.941 121.223 -0.262 0.000 4.089 692 L HA -0.284 3.993 4.340 -0.105 0.000 0.408 692 L C -0.316 176.298 176.870 -0.427 0.000 1.184 692 L CA 0.693 55.296 54.840 -0.396 0.000 0.947 692 L CB -1.717 40.087 42.059 -0.424 0.000 2.066 692 L HN 0.348 nan 8.230 nan 0.000 0.851 693 K N 0.665 120.878 120.400 -0.312 0.000 2.118 693 K HA 0.502 4.759 4.320 -0.105 0.000 0.267 693 K C -2.179 174.294 176.600 -0.211 0.000 0.991 693 K CA -1.804 54.322 56.287 -0.268 0.000 0.916 693 K CB 0.870 33.259 32.500 -0.185 0.000 1.041 693 K HN -0.218 nan 8.250 nan 0.000 0.455 694 P HA 0.076 nan 4.420 nan 0.000 0.267 694 P C -0.849 176.389 177.300 -0.102 0.000 1.205 694 P CA 0.302 63.310 63.100 -0.154 0.000 0.765 694 P CB 0.407 32.016 31.700 -0.152 0.000 0.828 695 I N 2.288 122.810 120.570 -0.079 0.000 2.466 695 I HA 0.574 4.682 4.170 -0.105 0.000 0.289 695 I C -0.226 175.851 176.117 -0.067 0.000 1.026 695 I CA -0.677 60.595 61.300 -0.047 0.000 1.078 695 I CB 2.002 39.999 38.000 -0.004 0.000 1.249 695 I HN 0.266 nan 8.210 nan 0.000 0.429 696 A N 7.710 130.495 122.820 -0.058 0.000 2.331 696 A HA 0.907 5.164 4.320 -0.105 0.000 0.320 696 A C -1.087 176.605 177.584 0.179 0.000 1.138 696 A CA -0.425 51.565 52.037 -0.079 0.000 0.790 696 A CB 0.854 19.645 19.000 -0.348 0.000 1.206 696 A HN 0.666 nan 8.150 nan 0.000 0.470 697 L N 2.183 123.591 121.223 0.310 0.000 2.404 697 L HA 0.684 4.962 4.340 -0.105 0.000 0.272 697 L C 0.231 177.277 176.870 0.295 0.000 0.980 697 L CA -0.369 54.635 54.840 0.274 0.000 0.836 697 L CB 1.975 44.138 42.059 0.172 0.000 1.238 697 L HN 0.799 nan 8.230 nan 0.000 0.408 698 A N 2.170 125.062 122.820 0.120 0.000 2.325 698 A HA 0.870 5.127 4.320 -0.105 0.000 0.333 698 A C 0.754 178.313 177.584 -0.041 0.000 1.155 698 A CA 0.279 52.261 52.037 -0.091 0.000 0.814 698 A CB 1.179 19.956 19.000 -0.372 0.000 1.206 698 A HN 0.969 nan 8.150 nan 0.000 0.482 699 G N 1.617 110.379 108.800 -0.062 0.000 2.665 699 G HA2 -0.371 3.526 3.960 -0.105 0.000 0.326 699 G HA3 -0.371 3.526 3.960 -0.105 0.000 0.326 699 G C 0.556 175.451 174.900 -0.008 0.000 1.231 699 G CA 1.140 46.217 45.100 -0.038 0.000 0.992 699 G HN 0.747 nan 8.290 nan 0.000 0.549 700 D N 1.735 122.130 120.400 -0.008 0.000 2.378 700 D HA 0.393 4.970 4.640 -0.105 0.000 0.227 700 D C 2.415 178.720 176.300 0.008 0.000 1.012 700 D CA 1.379 55.373 54.000 -0.010 0.000 0.905 700 D CB -0.461 40.328 40.800 -0.019 0.000 0.895 700 D HN 0.714 nan 8.370 nan 0.000 0.532 701 A N 0.237 123.095 122.820 0.063 0.000 2.066 701 A HA -0.116 4.141 4.320 -0.105 0.000 0.218 701 A C 1.949 179.630 177.584 0.162 0.000 1.157 701 A CA 0.593 52.731 52.037 0.168 0.000 0.670 701 A CB -0.226 18.878 19.000 0.174 0.000 0.804 701 A HN 0.131 nan 8.150 nan 0.000 0.453 702 R N -0.674 119.874 120.500 0.081 0.000 2.377 702 R HA -0.061 4.216 4.340 -0.105 0.000 0.207 702 R C 1.662 177.968 176.300 0.010 0.000 1.075 702 R CA 1.001 57.136 56.100 0.059 0.000 1.035 702 R CB -0.132 30.193 30.300 0.041 0.000 0.857 702 R HN 0.324 nan 8.270 nan 0.000 0.475 703 K N 0.343 120.711 120.400 -0.053 0.000 2.097 703 K HA -0.059 4.198 4.320 -0.105 0.000 0.205 703 K C 1.075 177.562 176.600 -0.188 0.000 1.050 703 K CA 1.305 57.496 56.287 -0.161 0.000 0.938 703 K CB -0.079 32.243 32.500 -0.296 0.000 0.718 703 K HN 0.086 nan 8.250 nan 0.000 0.442 704 F N 0.977 120.904 119.950 -0.038 0.000 2.546 704 F HA -0.093 4.371 4.527 -0.104 0.000 0.298 704 F C 1.692 177.447 175.800 -0.075 0.000 1.120 704 F CA 0.739 58.706 58.000 -0.055 0.000 1.456 704 F CB 0.018 38.983 39.000 -0.058 0.000 1.088 704 F HN -0.028 nan 8.300 nan 0.000 0.572 705 K N 0.426 120.868 120.400 0.071 0.000 2.089 705 K HA -0.263 3.994 4.320 -0.105 0.000 0.210 705 K C 2.377 178.950 176.600 -0.044 0.000 1.048 705 K CA 1.424 57.708 56.287 -0.006 0.000 0.926 705 K CB -0.522 31.973 32.500 -0.010 0.000 0.714 705 K HN 0.279 nan 8.250 nan 0.000 0.448 706 A N 1.041 123.838 122.820 -0.037 0.000 1.908 706 A HA -0.205 4.052 4.320 -0.105 0.000 0.218 706 A C 2.230 179.788 177.584 -0.044 0.000 1.181 706 A CA 2.325 54.335 52.037 -0.046 0.000 0.627 706 A CB -1.138 17.833 19.000 -0.048 0.000 0.818 706 A HN 0.359 nan 8.150 nan 0.000 0.445 707 T N 0.840 115.388 114.554 -0.010 0.000 2.759 707 T HA -0.142 4.145 4.350 -0.105 0.000 0.269 707 T C 1.468 176.120 174.700 -0.080 0.000 1.042 707 T CA 1.605 63.705 62.100 -0.001 0.000 1.140 707 T CB -0.584 68.331 68.868 0.078 0.000 0.864 707 T HN 0.757 nan 8.240 nan 0.000 0.455 708 I N -1.746 118.723 120.570 -0.168 0.000 3.884 708 I HA 0.403 4.510 4.170 -0.105 0.000 0.330 708 I C -0.448 175.434 176.117 -0.393 0.000 1.451 708 I CA -0.670 60.398 61.300 -0.388 0.000 1.165 708 I CB -0.514 37.086 38.000 -0.666 0.000 1.097 708 I HN -0.047 nan 8.210 nan 0.000 0.404 709 K N 2.320 122.603 120.400 -0.194 0.000 4.430 709 K HA -0.127 4.131 4.320 -0.105 0.000 0.283 709 K C -0.550 175.974 176.600 -0.126 0.000 0.845 709 K CA 0.593 56.805 56.287 -0.124 0.000 0.819 709 K CB -1.117 31.335 32.500 -0.081 0.000 1.735 709 K HN 0.563 nan 8.250 nan 0.000 0.429 710 I N 1.273 121.776 120.570 -0.112 0.000 2.377 710 I HA 0.280 4.388 4.170 -0.105 0.000 0.293 710 I C 0.834 176.933 176.117 -0.030 0.000 0.987 710 I CA -0.688 60.571 61.300 -0.068 0.000 1.185 710 I CB 1.631 39.583 38.000 -0.079 0.000 1.341 710 I HN 0.420 nan 8.210 nan 0.000 0.455 711 A N 4.539 127.353 122.820 -0.010 0.000 2.448 711 A HA 0.037 4.294 4.320 -0.105 0.000 0.239 711 A C 0.994 178.577 177.584 -0.002 0.000 1.080 711 A CA -0.096 51.938 52.037 -0.004 0.000 0.779 711 A CB 0.136 19.139 19.000 0.004 0.000 1.026 711 A HN 0.815 nan 8.150 nan 0.000 0.499 712 D N 0.240 120.639 120.400 -0.002 0.000 2.149 712 D HA -0.189 4.388 4.640 -0.105 0.000 0.198 712 D C 2.092 178.395 176.300 0.005 0.000 0.990 712 D CA 2.030 56.030 54.000 -0.001 0.000 0.839 712 D CB -0.069 40.730 40.800 -0.002 0.000 0.948 712 D HN 0.843 nan 8.370 nan 0.000 0.460 713 Q N 0.229 120.032 119.800 0.006 0.000 2.378 713 Q HA 0.183 4.460 4.340 -0.105 0.000 0.205 713 Q C 0.969 176.976 176.000 0.011 0.000 0.954 713 Q CA 0.910 56.718 55.803 0.009 0.000 0.901 713 Q CB 0.337 29.080 28.738 0.008 0.000 0.981 713 Q HN 0.126 nan 8.270 nan 0.000 0.483 714 G N 0.458 109.265 108.800 0.012 0.000 2.409 714 G HA2 -0.136 3.761 3.960 -0.105 0.000 0.421 714 G HA3 -0.136 3.761 3.960 -0.105 0.000 0.421 714 G C -1.648 173.263 174.900 0.017 0.000 1.259 714 G CA -0.320 44.788 45.100 0.014 0.000 1.011 714 G HN 0.263 nan 8.290 nan 0.000 0.497 715 E N -0.585 119.626 120.200 0.019 0.000 2.354 715 E HA 0.372 4.659 4.350 -0.105 0.000 0.283 715 E C -0.849 175.756 176.600 0.007 0.000 0.938 715 E CA -0.779 55.635 56.400 0.024 0.000 0.777 715 E CB 1.317 31.050 29.700 0.056 0.000 1.222 715 E HN 0.417 nan 8.360 nan 0.000 0.423 716 E N 1.008 121.206 120.200 -0.004 0.000 2.417 716 E HA 0.182 4.469 4.350 -0.105 0.000 0.261 716 E C 0.730 177.301 176.600 -0.048 0.000 1.000 716 E CA 1.401 57.785 56.400 -0.027 0.000 0.919 716 E CB 1.090 30.773 29.700 -0.029 0.000 0.955 716 E HN 0.869 nan 8.360 nan 0.000 0.455 717 G N 3.201 111.960 108.800 -0.068 0.000 2.195 717 G HA2 -0.190 3.707 3.960 -0.105 0.000 0.224 717 G HA3 -0.190 3.707 3.960 -0.105 0.000 0.224 717 G C 0.138 174.998 174.900 -0.068 0.000 0.990 717 G CA -0.383 44.658 45.100 -0.099 0.000 0.639 717 G HN 0.411 nan 8.290 nan 0.000 0.514 718 I N 2.386 122.936 120.570 -0.033 0.000 2.437 718 I HA 0.385 4.492 4.170 -0.105 0.000 0.279 718 I C 0.536 176.628 176.117 -0.041 0.000 1.028 718 I CA -1.025 60.266 61.300 -0.015 0.000 1.142 718 I CB 1.196 39.214 38.000 0.031 0.000 1.266 718 I HN -0.092 nan 8.210 nan 0.000 0.461 719 V N 7.186 127.039 119.914 -0.101 0.000 2.508 719 V HA 0.248 4.305 4.120 -0.105 0.000 0.281 719 V C 0.473 176.561 176.094 -0.010 0.000 1.041 719 V CA -0.335 61.874 62.300 -0.151 0.000 1.016 719 V CB 0.676 32.249 31.823 -0.416 0.000 0.984 719 V HN 0.826 nan 8.190 nan 0.000 0.478 720 E N 4.312 124.565 120.200 0.088 0.000 2.308 720 E HA 0.863 5.150 4.350 -0.105 0.000 0.275 720 E C -0.935 175.797 176.600 0.219 0.000 0.890 720 E CA -0.953 55.560 56.400 0.188 0.000 0.754 720 E CB 2.554 32.317 29.700 0.105 0.000 1.207 720 E HN 0.759 nan 8.360 nan 0.000 0.426 721 A N 2.109 125.074 122.820 0.242 0.000 2.586 721 A HA 0.296 4.553 4.320 -0.105 0.000 0.290 721 A C -0.245 177.358 177.584 0.031 0.000 1.086 721 A CA -0.637 51.488 52.037 0.147 0.000 0.665 721 A CB 1.493 20.627 19.000 0.224 0.000 1.279 721 A HN 0.699 nan 8.150 nan 0.000 0.423 722 D N 0.169 120.568 120.400 -0.003 0.000 2.218 722 D HA 0.005 4.582 4.640 -0.105 0.000 0.204 722 D C 0.808 177.054 176.300 -0.089 0.000 0.976 722 D CA 2.184 56.163 54.000 -0.035 0.000 0.853 722 D CB 0.215 41.002 40.800 -0.023 0.000 0.939 722 D HN 0.772 nan 8.370 nan 0.000 0.481 723 S N -1.895 113.711 115.700 -0.156 0.000 2.615 723 S HA 0.575 4.982 4.470 -0.105 0.000 0.269 723 S C -0.857 173.453 174.600 -0.484 0.000 1.161 723 S CA -0.702 57.351 58.200 -0.244 0.000 0.817 723 S CB 1.858 64.968 63.200 -0.150 0.000 1.131 723 S HN -0.053 nan 8.310 nan 0.000 0.467 724 A N 1.661 124.138 122.820 -0.571 0.000 3.118 724 A HA 0.488 4.745 4.320 -0.105 0.000 0.256 724 A C 0.206 177.616 177.584 -0.290 0.000 1.667 724 A CA -0.325 51.206 52.037 -0.844 0.000 1.338 724 A CB -1.893 16.753 19.000 -0.591 0.000 1.127 724 A HN 0.840 nan 8.150 nan 0.000 0.634 725 D N -0.356 119.954 120.400 -0.151 0.000 2.398 725 D HA 0.402 4.979 4.640 -0.105 0.000 0.264 725 D C 1.494 177.843 176.300 0.082 0.000 1.263 725 D CA 0.093 54.085 54.000 -0.013 0.000 1.037 725 D CB 0.034 40.836 40.800 0.002 0.000 1.101 725 D HN 0.054 nan 8.370 nan 0.000 0.551 726 G N -0.828 108.011 108.800 0.064 0.000 2.552 726 G HA2 -0.345 3.552 3.960 -0.105 0.000 0.216 726 G HA3 -0.345 3.552 3.960 -0.105 0.000 0.216 726 G C 1.649 176.613 174.900 0.107 0.000 1.240 726 G CA 1.327 46.472 45.100 0.074 0.000 0.796 726 G HN 0.491 nan 8.290 nan 0.000 0.568 727 S N 0.062 115.817 115.700 0.091 0.000 2.408 727 S HA -0.301 4.107 4.470 -0.105 0.000 0.241 727 S C 2.027 176.705 174.600 0.130 0.000 1.080 727 S CA 2.265 60.520 58.200 0.091 0.000 1.109 727 S CB -0.500 62.749 63.200 0.081 0.000 0.966 727 S HN 0.472 nan 8.310 nan 0.000 0.449 728 F N 1.704 121.652 119.950 -0.002 0.000 2.051 728 F HA -0.086 4.378 4.527 -0.104 0.000 0.296 728 F C 2.136 177.933 175.800 -0.004 0.000 1.122 728 F CA 1.888 59.886 58.000 -0.003 0.000 1.201 728 F CB -0.622 38.378 39.000 -0.001 0.000 0.978 728 F HN 0.159 nan 8.300 nan 0.000 0.472 729 M N 0.724 120.503 119.600 0.298 0.000 2.108 729 M HA -0.260 4.157 4.480 -0.105 0.000 0.257 729 M C 1.884 178.179 176.300 -0.008 0.000 1.071 729 M CA 1.638 57.003 55.300 0.108 0.000 1.093 729 M CB -1.565 31.130 32.600 0.159 0.000 1.345 729 M HN 0.222 nan 8.290 nan 0.000 0.403 730 D N 0.123 120.530 120.400 0.012 0.000 2.178 730 D HA -0.126 4.451 4.640 -0.105 0.000 0.201 730 D C 1.929 178.200 176.300 -0.048 0.000 0.980 730 D CA 1.042 55.035 54.000 -0.012 0.000 0.842 730 D CB -0.029 40.775 40.800 0.008 0.000 0.948 730 D HN 0.514 nan 8.370 nan 0.000 0.472 731 E N 0.130 120.281 120.200 -0.082 0.000 2.216 731 E HA -0.054 4.234 4.350 -0.105 0.000 0.192 731 E C 2.038 178.545 176.600 -0.154 0.000 0.988 731 E CA -0.017 56.318 56.400 -0.108 0.000 0.834 731 E CB 0.182 29.810 29.700 -0.120 0.000 0.772 731 E HN 0.165 nan 8.360 nan 0.000 0.479 732 L N 0.870 121.961 121.223 -0.220 0.000 2.044 732 L HA -0.114 4.163 4.340 -0.105 0.000 0.205 732 L C 2.058 178.854 176.870 -0.123 0.000 1.075 732 L CA 1.493 56.202 54.840 -0.217 0.000 0.747 732 L CB -0.369 41.513 42.059 -0.294 0.000 0.903 732 L HN 0.241 nan 8.230 nan 0.000 0.435 733 L N -0.414 120.757 121.223 -0.087 0.000 2.083 733 L HA -0.212 4.065 4.340 -0.105 0.000 0.209 733 L C 2.477 179.322 176.870 -0.043 0.000 1.083 733 L CA 1.623 56.432 54.840 -0.051 0.000 0.752 733 L CB -0.746 41.294 42.059 -0.031 0.000 0.899 733 L HN 0.262 nan 8.230 nan 0.000 0.433 734 T N 0.121 114.647 114.554 -0.047 0.000 2.708 734 T HA -0.151 4.136 4.350 -0.105 0.000 0.266 734 T C 1.962 176.635 174.700 -0.045 0.000 1.037 734 T CA 1.173 63.252 62.100 -0.034 0.000 1.146 734 T CB -0.231 68.617 68.868 -0.033 0.000 0.865 734 T HN 0.180 nan 8.240 nan 0.000 0.435 735 L N 0.328 121.505 121.223 -0.076 0.000 2.012 735 L HA -0.111 4.166 4.340 -0.105 0.000 0.210 735 L C 2.736 179.550 176.870 -0.093 0.000 1.073 735 L CA 1.460 56.239 54.840 -0.102 0.000 0.748 735 L CB -0.576 41.402 42.059 -0.135 0.000 0.891 735 L HN 0.308 nan 8.230 nan 0.000 0.431 736 M N -0.673 118.884 119.600 -0.072 0.000 2.202 736 M HA -0.192 4.226 4.480 -0.105 0.000 0.262 736 M C 2.411 178.717 176.300 0.010 0.000 1.063 736 M CA 1.759 57.036 55.300 -0.038 0.000 1.097 736 M CB -0.526 32.059 32.600 -0.026 0.000 1.382 736 M HN 0.321 nan 8.290 nan 0.000 0.413 737 A N 0.213 123.038 122.820 0.009 0.000 2.015 737 A HA 0.072 4.329 4.320 -0.105 0.000 0.219 737 A C 2.157 179.785 177.584 0.074 0.000 1.163 737 A CA 1.619 53.680 52.037 0.041 0.000 0.646 737 A CB -0.621 18.398 19.000 0.031 0.000 0.806 737 A HN 0.501 nan 8.150 nan 0.000 0.448 738 A N -2.515 120.332 122.820 0.044 0.000 2.278 738 A HA 0.344 4.601 4.320 -0.105 0.000 0.212 738 A C 0.968 178.589 177.584 0.062 0.000 1.213 738 A CA 1.214 53.291 52.037 0.066 0.000 0.840 738 A CB -0.494 18.501 19.000 -0.009 0.000 0.866 738 A HN 0.898 nan 8.150 nan 0.000 0.489 739 H N -1.079 117.941 119.070 -0.083 0.000 4.891 739 H HA -0.196 4.297 4.556 -0.105 0.000 0.059 739 H C 0.057 175.180 175.328 -0.342 0.000 0.587 739 H CA 2.438 58.413 56.048 -0.122 0.000 0.970 739 H CB -0.559 29.226 29.762 0.038 0.000 0.535 739 H HN 0.467 nan 8.280 nan 0.000 0.802 740 R N -0.352 119.620 120.500 -0.879 0.000 2.836 740 R HA 0.613 4.890 4.340 -0.105 0.000 0.269 740 R C -0.619 174.877 176.300 -1.340 0.000 1.010 740 R CA -0.289 55.048 56.100 -1.271 0.000 0.930 740 R CB 1.769 30.977 30.300 -1.820 0.000 1.218 740 R HN 0.087 nan 8.270 nan 0.000 0.473 741 V N 2.297 121.625 119.914 -0.976 0.000 2.221 741 V HA 0.111 4.168 4.120 -0.105 0.000 0.258 741 V C 0.759 176.474 176.094 -0.632 0.000 1.179 741 V CA -0.576 61.317 62.300 -0.679 0.000 1.022 741 V CB -0.335 31.235 31.823 -0.422 0.000 1.228 741 V HN 0.731 nan 8.190 nan 0.000 0.487 742 W N 1.679 122.710 121.300 -0.449 0.000 2.331 742 W HA -0.231 4.366 4.660 -0.105 0.000 0.291 742 W C 2.568 178.898 176.519 -0.316 0.000 1.214 742 W CA 1.081 58.076 57.345 -0.583 0.000 1.228 742 W CB -0.548 28.223 29.460 -1.147 0.000 1.135 742 W HN 0.658 nan 8.180 nan 0.000 0.537 743 S N 0.695 116.362 115.700 -0.053 0.000 2.474 743 S HA -0.151 4.256 4.470 -0.105 0.000 0.235 743 S C 1.750 176.314 174.600 -0.059 0.000 0.997 743 S CA 0.954 59.139 58.200 -0.025 0.000 0.949 743 S CB -0.417 62.769 63.200 -0.022 0.000 0.766 743 S HN 0.414 nan 8.310 nan 0.000 0.517 744 R N 0.582 120.999 120.500 -0.137 0.000 2.276 744 R HA 0.215 4.492 4.340 -0.105 0.000 0.203 744 R C 1.791 178.016 176.300 -0.125 0.000 1.017 744 R CA 0.470 56.466 56.100 -0.173 0.000 1.010 744 R CB -0.429 29.657 30.300 -0.357 0.000 0.900 744 R HN 0.489 nan 8.270 nan 0.000 0.469 745 I N 1.776 122.313 120.570 -0.055 0.000 2.113 745 I HA -0.292 3.815 4.170 -0.105 0.000 0.242 745 I C -0.806 175.330 176.117 0.033 0.000 1.057 745 I CA 1.700 63.013 61.300 0.020 0.000 1.314 745 I CB -0.992 37.069 38.000 0.102 0.000 1.022 745 I HN 0.179 nan 8.210 nan 0.000 0.408 746 P HA -0.162 nan 4.420 nan 0.000 0.219 746 P C 1.033 178.360 177.300 0.046 0.000 1.146 746 P CA 1.530 64.659 63.100 0.047 0.000 0.808 746 P CB -0.077 31.650 31.700 0.045 0.000 0.779 747 K N -0.514 119.906 120.400 0.035 0.000 2.361 747 K HA 0.099 4.356 4.320 -0.105 0.000 0.196 747 K C 1.921 178.580 176.600 0.099 0.000 1.039 747 K CA 0.597 56.927 56.287 0.072 0.000 1.001 747 K CB -0.392 32.170 32.500 0.104 0.000 0.795 747 K HN 0.280 nan 8.250 nan 0.000 0.495 748 I N -1.602 118.990 120.570 0.036 0.000 2.761 748 I HA -0.044 4.063 4.170 -0.105 0.000 0.261 748 I C 1.506 177.668 176.117 0.075 0.000 1.198 748 I CA 0.894 62.225 61.300 0.051 0.000 1.482 748 I CB -0.218 37.753 38.000 -0.048 0.000 1.100 748 I HN -0.119 nan 8.210 nan 0.000 0.445 749 D N 2.431 122.873 120.400 0.069 0.000 2.200 749 D HA -0.206 4.371 4.640 -0.105 0.000 0.192 749 D C 1.440 177.780 176.300 0.067 0.000 1.008 749 D CA 1.481 55.523 54.000 0.070 0.000 0.872 749 D CB 0.084 40.924 40.800 0.067 0.000 0.923 749 D HN 0.259 nan 8.370 nan 0.000 0.447 750 K N -0.175 120.266 120.400 0.069 0.000 2.675 750 K HA 0.148 4.405 4.320 -0.105 0.000 0.213 750 K C -0.136 176.501 176.600 0.061 0.000 1.074 750 K CA -0.307 56.015 56.287 0.059 0.000 1.172 750 K CB 1.017 33.548 32.500 0.052 0.000 0.927 750 K HN 0.222 nan 8.250 nan 0.000 0.471 751 I N 3.790 124.405 120.570 0.075 0.000 2.390 751 I HA 0.215 4.322 4.170 -0.105 0.000 0.283 751 I C -2.513 173.641 176.117 0.062 0.000 1.016 751 I CA -2.593 58.752 61.300 0.074 0.000 1.151 751 I CB 1.826 39.904 38.000 0.130 0.000 1.293 751 I HN -0.095 nan 8.210 nan 0.000 0.458 752 P HA 0.401 nan 4.420 nan 0.000 0.260 752 P C -0.777 176.576 177.300 0.088 0.000 1.651 752 P CA -0.020 63.114 63.100 0.056 0.000 1.139 752 P CB 0.506 32.230 31.700 0.040 0.000 1.756 753 A N 0.000 122.881 122.820 0.102 0.000 2.254 753 A HA 0.000 4.257 4.320 -0.105 0.000 0.244 753 A CA 0.000 52.157 52.037 0.200 0.000 0.836 753 A CB 0.000 19.061 19.000 0.102 0.000 0.831 753 A HN 0.000 nan 8.150 nan 0.000 0.486