REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1gge_1_A DATA FIRST_RESID 27 DATA SEQUENCE DSLAPEDGSH RPAAEPTPPG AQPTAPGSLK APDTRNEKLN SLEDVRKGSE DATA SEQUENCE NYALTTNQGV RIADDQNSLR AGSRGPTLLE DFILREKITH FDHERIPERI DATA SEQUENCE VHARGSAAHG YFQPYKSLSD ITKADFLSDP NKITPVFVRF STVQGGAGSA DATA SEQUENCE DTVRDIRGFA TKFYTEEGIF DLVGNNTPIF FIQDAHKFPD FVHAVKPEPH DATA SEQUENCE WAIPQGQSAH DTFWDYVSLQ PETLHNVMWA MSDRGIPRSY RTMEGFGIHT DATA SEQUENCE FRLINAEGKA TFVRFHWKPL AGKASLVWDE AQKLTGRDPD FHRRELWEAI DATA SEQUENCE EAGDFPEYEL GFQLIPEEDE FKFDFDLLDP TKLIPEELVP VQRVGKMVLN DATA SEQUENCE RNPDNFFAEN EQAAFHPGHI VPGLDFTNDP LLQGRLFSYT DTQISRLGGP DATA SEQUENCE NFHEIPINRP TCPYHNFQRD GMHRMGIDTN PANYEPNSIN DNWPRETPPG DATA SEQUENCE PKRGGFESYQ ERVEGNKVRE RSPSFGEYYS HPRLFWLSQT PFEQRHIVDG DATA SEQUENCE FSFELSKVVR PYIRERVVDQ LAHIDLTLAQ AVAKNLGIEL TDDQLNITPP DATA SEQUENCE PDVNGLKKDP SLSLYAIPDG DVKGRVVAIL LNDEVRSADL LAILKALKAK DATA SEQUENCE GVHAKLLYSR MGEVTADDGT VLPIAATFAG APSLTVDAVI VPCGNIADIA DATA SEQUENCE DNGDANYYLM EAYKHLKPIA LAGDARKFKA TIKIADQGEE GIVEADSADG DATA SEQUENCE SFMDELLTLM AAHRVWSRIP KIDKIPA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 27 D HA 0.000 nan 4.640 nan 0.000 0.175 27 D C 0.000 176.283 176.300 -0.028 0.000 2.045 27 D CA 0.000 53.986 54.000 -0.023 0.000 0.868 27 D CB 0.000 40.788 40.800 -0.021 0.000 0.688 28 S N 1.156 116.839 115.700 -0.028 0.000 3.975 28 S HA 0.117 4.626 4.470 0.064 0.000 0.278 28 S C 0.289 174.863 174.600 -0.043 0.000 0.453 28 S CA 1.006 59.187 58.200 -0.032 0.000 1.501 28 S CB -1.883 61.301 63.200 -0.027 0.000 1.534 28 S HN 0.600 nan 8.310 nan 0.000 0.366 29 L N -0.322 120.867 121.223 -0.057 0.000 2.235 29 L HA 1.049 5.428 4.340 0.064 0.000 0.260 29 L C 0.389 177.178 176.870 -0.136 0.000 1.025 29 L CA -1.273 53.515 54.840 -0.087 0.000 0.836 29 L CB 0.089 42.103 42.059 -0.076 0.000 1.395 29 L HN 0.466 nan 8.230 nan 0.000 0.443 30 A N 0.116 122.793 122.820 -0.238 0.000 2.448 30 A HA 0.558 4.917 4.320 0.064 0.000 0.239 30 A C -2.104 175.331 177.584 -0.248 0.000 1.080 30 A CA -0.626 51.147 52.037 -0.441 0.000 0.779 30 A CB -1.249 17.139 19.000 -1.020 0.000 1.026 30 A HN 0.719 nan 8.150 nan 0.000 0.499 31 P HA 0.098 nan 4.420 nan 0.000 0.269 31 P C 0.357 177.635 177.300 -0.038 0.000 1.209 31 P CA -0.021 63.044 63.100 -0.059 0.000 0.776 31 P CB 0.770 32.477 31.700 0.012 0.000 0.876 32 E N 2.345 122.535 120.200 -0.017 0.000 2.070 32 E HA -0.261 4.127 4.350 0.064 0.000 0.197 32 E C 1.133 177.750 176.600 0.028 0.000 1.004 32 E CA 2.152 58.551 56.400 -0.001 0.000 0.805 32 E CB -0.565 29.135 29.700 -0.000 0.000 0.744 32 E HN 0.560 nan 8.360 nan 0.000 0.451 33 D N -1.193 119.231 120.400 0.039 0.000 2.378 33 D HA 0.001 4.679 4.640 0.064 0.000 0.227 33 D C 1.255 177.606 176.300 0.085 0.000 1.012 33 D CA 0.926 54.957 54.000 0.051 0.000 0.905 33 D CB -0.500 40.323 40.800 0.039 0.000 0.895 33 D HN 0.337 nan 8.370 nan 0.000 0.532 34 G N 0.224 109.118 108.800 0.156 0.000 2.168 34 G HA2 -0.357 3.641 3.960 0.064 0.000 0.257 34 G HA3 -0.357 3.641 3.960 0.064 0.000 0.257 34 G C 0.984 175.973 174.900 0.148 0.000 0.997 34 G CA 0.902 46.136 45.100 0.224 0.000 0.708 34 G HN 0.744 nan 8.290 nan 0.000 0.520 35 S N -0.349 115.450 115.700 0.165 0.000 2.603 35 S HA 0.090 4.598 4.470 0.064 0.000 0.220 35 S C 1.654 176.311 174.600 0.094 0.000 0.967 35 S CA 1.044 59.294 58.200 0.083 0.000 0.920 35 S CB -0.569 62.669 63.200 0.063 0.000 0.773 35 S HN 1.011 nan 8.310 nan 0.000 0.529 36 H N 0.427 119.504 119.070 0.012 0.000 2.470 36 H HA 0.303 4.897 4.556 0.064 0.000 0.289 36 H C 1.144 176.484 175.328 0.020 0.000 1.033 36 H CA 0.202 56.259 56.048 0.014 0.000 1.331 36 H CB -0.047 29.722 29.762 0.012 0.000 1.414 36 H HN 0.324 nan 8.280 nan 0.000 0.545 37 R N 2.006 122.183 120.500 -0.538 0.000 2.338 37 R HA 0.312 4.690 4.340 0.064 0.000 0.317 37 R C -2.750 173.454 176.300 -0.159 0.000 0.968 37 R CA -2.448 53.430 56.100 -0.370 0.000 0.849 37 R CB 0.879 30.865 30.300 -0.524 0.000 1.128 37 R HN 0.092 nan 8.270 nan 0.000 0.448 38 P HA 0.034 nan 4.420 nan 0.000 0.264 38 P C -0.934 176.356 177.300 -0.016 0.000 1.193 38 P CA -0.066 63.022 63.100 -0.019 0.000 0.763 38 P CB 0.968 32.683 31.700 0.024 0.000 0.810 39 A N 3.401 126.217 122.820 -0.006 0.000 2.511 39 A HA 0.377 4.736 4.320 0.064 0.000 0.242 39 A C 0.878 178.472 177.584 0.015 0.000 1.069 39 A CA 0.127 52.164 52.037 0.001 0.000 0.763 39 A CB -0.274 18.729 19.000 0.005 0.000 1.001 39 A HN 0.574 nan 8.150 nan 0.000 0.498 40 A N 3.018 125.847 122.820 0.015 0.000 3.091 40 A HA 0.525 4.883 4.320 0.064 0.000 0.264 40 A C 0.211 177.813 177.584 0.029 0.000 1.673 40 A CA -0.086 51.967 52.037 0.026 0.000 1.362 40 A CB -0.418 18.595 19.000 0.021 0.000 1.137 40 A HN 0.753 nan 8.150 nan 0.000 0.617 41 E N 0.234 120.454 120.200 0.033 0.000 2.407 41 E HA 0.341 4.729 4.350 0.064 0.000 0.279 41 E C -3.153 173.470 176.600 0.038 0.000 1.012 41 E CA -1.925 54.496 56.400 0.036 0.000 0.800 41 E CB 1.590 31.306 29.700 0.027 0.000 1.276 41 E HN 0.052 nan 8.360 nan 0.000 0.452 42 P HA 0.069 nan 4.420 nan 0.000 0.262 42 P C -0.619 176.690 177.300 0.016 0.000 1.199 42 P CA 0.299 63.415 63.100 0.026 0.000 0.763 42 P CB 0.133 31.837 31.700 0.006 0.000 0.790 43 T N 1.312 115.871 114.554 0.009 0.000 2.900 43 T HA 0.624 5.013 4.350 0.064 0.000 0.295 43 T C -2.950 171.724 174.700 -0.044 0.000 1.044 43 T CA -2.792 59.307 62.100 -0.001 0.000 0.995 43 T CB 1.612 70.485 68.868 0.008 0.000 1.072 43 T HN 0.023 nan 8.240 nan 0.000 0.473 44 P HA 0.315 nan 4.420 nan 0.000 0.270 44 P C -2.719 174.447 177.300 -0.223 0.000 1.223 44 P CA -1.501 61.450 63.100 -0.248 0.000 0.785 44 P CB -1.013 30.622 31.700 -0.108 0.000 0.923 45 P HA 0.026 nan 4.420 nan 0.000 0.262 45 P C 1.125 178.381 177.300 -0.074 0.000 1.182 45 P CA 1.461 64.463 63.100 -0.163 0.000 0.761 45 P CB -0.261 31.340 31.700 -0.165 0.000 0.795 46 G N 2.901 111.687 108.800 -0.025 0.000 2.267 46 G HA2 -0.366 3.633 3.960 0.064 0.000 0.257 46 G HA3 -0.366 3.633 3.960 0.064 0.000 0.257 46 G C 1.189 176.088 174.900 -0.001 0.000 0.998 46 G CA 0.456 45.553 45.100 -0.004 0.000 0.620 46 G HN 0.682 nan 8.290 nan 0.000 0.529 47 A N -1.095 121.719 122.820 -0.009 0.000 2.015 47 A HA 0.395 4.753 4.320 0.064 0.000 0.219 47 A C 1.327 178.915 177.584 0.007 0.000 1.163 47 A CA 2.120 54.157 52.037 -0.000 0.000 0.646 47 A CB -0.011 18.987 19.000 -0.004 0.000 0.806 47 A HN 0.532 nan 8.150 nan 0.000 0.448 48 Q N -1.336 118.471 119.800 0.012 0.000 2.462 48 Q HA 0.410 4.788 4.340 0.064 0.000 0.285 48 Q C -3.023 172.993 176.000 0.027 0.000 1.035 48 Q CA -1.996 53.818 55.803 0.018 0.000 0.799 48 Q CB 0.985 29.737 28.738 0.023 0.000 1.452 48 Q HN 0.035 nan 8.270 nan 0.000 0.404 49 P HA 0.031 nan 4.420 nan 0.000 0.268 49 P C -0.168 177.164 177.300 0.053 0.000 1.205 49 P CA 0.141 63.256 63.100 0.025 0.000 0.771 49 P CB 0.243 31.955 31.700 0.020 0.000 0.858 50 T N -0.307 114.278 114.554 0.052 0.000 2.813 50 T HA 0.600 4.988 4.350 0.064 0.000 0.297 50 T C 0.020 174.810 174.700 0.149 0.000 1.036 50 T CA -0.453 61.730 62.100 0.137 0.000 1.044 50 T CB 0.657 69.553 68.868 0.046 0.000 0.993 50 T HN 0.573 nan 8.240 nan 0.000 0.535 51 A N 1.291 124.299 122.820 0.314 0.000 2.609 51 A HA 0.762 5.121 4.320 0.064 0.000 0.291 51 A C -3.074 174.774 177.584 0.440 0.000 1.096 51 A CA -1.967 50.230 52.037 0.266 0.000 0.684 51 A CB 0.536 19.642 19.000 0.176 0.000 1.282 51 A HN 0.662 nan 8.150 nan 0.000 0.412 52 P HA 0.131 nan 4.420 nan 0.000 0.264 52 P C 1.222 178.670 177.300 0.247 0.000 1.183 52 P CA 0.945 64.257 63.100 0.353 0.000 0.763 52 P CB 0.541 32.373 31.700 0.220 0.000 0.807 53 G N 2.503 111.410 108.800 0.179 0.000 2.469 53 G HA2 -0.308 3.690 3.960 0.064 0.000 0.219 53 G HA3 -0.308 3.690 3.960 0.064 0.000 0.219 53 G C 1.583 176.499 174.900 0.026 0.000 1.150 53 G CA 1.154 46.273 45.100 0.032 0.000 0.763 53 G HN 0.593 nan 8.290 nan 0.000 0.561 54 S N 0.062 115.780 115.700 0.031 0.000 2.474 54 S HA 0.101 4.609 4.470 0.064 0.000 0.235 54 S C 2.201 176.819 174.600 0.029 0.000 0.997 54 S CA 0.996 59.202 58.200 0.009 0.000 0.949 54 S CB -0.191 63.010 63.200 0.000 0.000 0.766 54 S HN 0.331 nan 8.310 nan 0.000 0.517 55 L N -0.275 120.981 121.223 0.056 0.000 2.298 55 L HA 0.296 4.674 4.340 0.064 0.000 0.209 55 L C 2.622 179.524 176.870 0.055 0.000 1.084 55 L CA 0.662 55.535 54.840 0.055 0.000 0.816 55 L CB -0.307 41.793 42.059 0.068 0.000 0.967 55 L HN 0.228 nan 8.230 nan 0.000 0.460 56 K N 1.593 122.036 120.400 0.072 0.000 2.103 56 K HA 0.043 4.402 4.320 0.064 0.000 0.204 56 K C 0.698 177.328 176.600 0.050 0.000 1.052 56 K CA 1.288 57.618 56.287 0.071 0.000 0.945 56 K CB 0.129 32.688 32.500 0.098 0.000 0.722 56 K HN 0.142 nan 8.250 nan 0.000 0.443 57 A N 0.812 123.653 122.820 0.036 0.000 3.216 57 A HA 0.355 4.713 4.320 0.064 0.000 0.321 57 A C -2.231 175.358 177.584 0.007 0.000 1.042 57 A CA -1.034 51.021 52.037 0.029 0.000 0.838 57 A CB 0.705 19.727 19.000 0.036 0.000 1.136 57 A HN 0.144 nan 8.150 nan 0.000 0.483 58 P HA -0.117 nan 4.420 nan 0.000 0.220 58 P C 0.203 177.496 177.300 -0.012 0.000 1.148 58 P CA 1.163 64.261 63.100 -0.003 0.000 0.803 58 P CB 0.325 32.028 31.700 0.005 0.000 0.782 59 D N -0.836 119.561 120.400 -0.005 0.000 2.347 59 D HA -0.005 4.673 4.640 0.064 0.000 0.213 59 D C 0.369 176.655 176.300 -0.022 0.000 0.985 59 D CA 0.690 54.684 54.000 -0.009 0.000 0.879 59 D CB -0.533 40.270 40.800 0.004 0.000 0.919 59 D HN 0.132 nan 8.370 nan 0.000 0.526 60 T N 2.193 116.731 114.554 -0.027 0.000 2.727 60 T HA 0.338 4.726 4.350 0.064 0.000 0.295 60 T C 0.557 175.210 174.700 -0.078 0.000 0.915 60 T CA -0.133 61.936 62.100 -0.052 0.000 1.066 60 T CB 0.990 69.825 68.868 -0.055 0.000 0.891 60 T HN -0.056 nan 8.240 nan 0.000 0.516 61 R N 2.723 123.170 120.500 -0.089 0.000 2.912 61 R HA 0.722 5.100 4.340 0.064 0.000 0.262 61 R C -0.564 175.672 176.300 -0.107 0.000 1.057 61 R CA -1.090 54.952 56.100 -0.098 0.000 0.981 61 R CB 1.466 31.717 30.300 -0.082 0.000 1.201 61 R HN 0.748 nan 8.270 nan 0.000 0.484 62 N N -1.743 116.897 118.700 -0.100 0.000 3.046 62 N HA -0.021 4.758 4.740 0.064 0.000 0.243 62 N C -0.192 175.272 175.510 -0.077 0.000 1.452 62 N CA -0.839 52.165 53.050 -0.077 0.000 0.882 62 N CB 0.795 39.263 38.487 -0.030 0.000 1.425 62 N HN 0.637 nan 8.380 nan 0.000 0.517 63 E N -0.172 119.999 120.200 -0.050 0.000 2.118 63 E HA -0.261 4.127 4.350 0.064 0.000 0.195 63 E C 1.044 177.576 176.600 -0.114 0.000 0.992 63 E CA 1.506 57.871 56.400 -0.058 0.000 0.804 63 E CB 0.102 29.793 29.700 -0.016 0.000 0.741 63 E HN 0.491 nan 8.360 nan 0.000 0.458 64 K N 0.675 120.975 120.400 -0.168 0.000 2.025 64 K HA -0.090 4.269 4.320 0.064 0.000 0.207 64 K C 2.049 178.487 176.600 -0.270 0.000 1.049 64 K CA 1.200 57.295 56.287 -0.321 0.000 0.933 64 K CB -0.479 31.666 32.500 -0.590 0.000 0.714 64 K HN 0.165 nan 8.250 nan 0.000 0.438 65 L N 0.953 122.028 121.223 -0.245 0.000 2.042 65 L HA -0.252 4.127 4.340 0.064 0.000 0.210 65 L C 1.924 178.677 176.870 -0.195 0.000 1.076 65 L CA 1.444 56.111 54.840 -0.287 0.000 0.749 65 L CB -0.650 41.237 42.059 -0.286 0.000 0.893 65 L HN 0.284 nan 8.230 nan 0.000 0.432 66 N N -0.273 118.340 118.700 -0.145 0.000 2.120 66 N HA -0.165 4.614 4.740 0.064 0.000 0.188 66 N C 2.046 177.496 175.510 -0.100 0.000 1.024 66 N CA 1.712 54.699 53.050 -0.105 0.000 0.852 66 N CB -0.510 37.929 38.487 -0.081 0.000 1.003 66 N HN 0.390 nan 8.380 nan 0.000 0.424 67 S N 0.493 116.124 115.700 -0.115 0.000 2.447 67 S HA 0.011 4.519 4.470 0.064 0.000 0.233 67 S C 1.803 176.342 174.600 -0.102 0.000 1.006 67 S CA 0.442 58.581 58.200 -0.101 0.000 0.957 67 S CB -0.503 62.628 63.200 -0.114 0.000 0.773 67 S HN 0.255 nan 8.310 nan 0.000 0.507 68 L N 0.745 121.893 121.223 -0.125 0.000 2.610 68 L HA 0.180 4.559 4.340 0.064 0.000 0.232 68 L C 2.578 179.401 176.870 -0.078 0.000 1.149 68 L CA 0.560 55.334 54.840 -0.110 0.000 0.872 68 L CB -0.391 41.585 42.059 -0.139 0.000 0.992 68 L HN 0.282 nan 8.230 nan 0.000 0.447 69 E N 0.961 121.118 120.200 -0.071 0.000 2.204 69 E HA -0.238 4.150 4.350 0.064 0.000 0.195 69 E C 1.700 178.279 176.600 -0.036 0.000 0.990 69 E CA 1.333 57.704 56.400 -0.049 0.000 0.821 69 E CB -0.021 29.652 29.700 -0.044 0.000 0.750 69 E HN 0.563 nan 8.360 nan 0.000 0.477 70 D N -0.520 119.857 120.400 -0.037 0.000 2.218 70 D HA -0.148 4.530 4.640 0.064 0.000 0.204 70 D C 1.671 177.957 176.300 -0.024 0.000 0.976 70 D CA 1.651 55.634 54.000 -0.028 0.000 0.853 70 D CB -0.383 40.400 40.800 -0.028 0.000 0.939 70 D HN 0.305 nan 8.370 nan 0.000 0.481 71 V N -3.425 116.473 119.914 -0.027 0.000 3.643 71 V HA 0.304 4.462 4.120 0.064 0.000 0.280 71 V C 0.943 177.029 176.094 -0.014 0.000 1.351 71 V CA -0.637 61.652 62.300 -0.018 0.000 1.073 71 V CB -0.509 31.304 31.823 -0.017 0.000 0.863 71 V HN -0.156 nan 8.190 nan 0.000 0.436 72 R N 2.068 122.557 120.500 -0.017 0.000 2.522 72 R HA 0.366 4.744 4.340 0.064 0.000 0.284 72 R C -0.229 176.067 176.300 -0.007 0.000 1.032 72 R CA 0.234 56.330 56.100 -0.007 0.000 1.049 72 R CB 0.557 30.852 30.300 -0.008 0.000 0.956 72 R HN 0.393 nan 8.270 nan 0.000 0.422 73 K N 1.135 121.534 120.400 -0.001 0.000 2.376 73 K HA 0.334 4.692 4.320 0.064 0.000 0.257 73 K C 0.025 176.628 176.600 0.005 0.000 0.939 73 K CA -0.421 55.851 56.287 -0.024 0.000 0.809 73 K CB 1.805 34.277 32.500 -0.048 0.000 1.121 73 K HN 0.670 nan 8.250 nan 0.000 0.425 74 G N 0.622 109.434 108.800 0.020 0.000 2.514 74 G HA2 0.260 4.258 3.960 0.064 0.000 0.245 74 G HA3 0.260 4.258 3.960 0.064 0.000 0.245 74 G C 0.269 175.235 174.900 0.110 0.000 1.488 74 G CA 0.335 45.497 45.100 0.104 0.000 1.063 74 G HN 0.788 nan 8.290 nan 0.000 0.557 75 S N -2.817 113.030 115.700 0.244 0.000 2.707 75 S HA 0.076 4.584 4.470 0.064 0.000 0.224 75 S C 0.201 174.976 174.600 0.291 0.000 0.931 75 S CA -0.065 58.283 58.200 0.248 0.000 1.243 75 S CB -0.083 63.192 63.200 0.126 0.000 0.949 75 S HN 0.506 nan 8.310 nan 0.000 0.384 76 E N 3.082 123.389 120.200 0.177 0.000 2.465 76 E HA 0.268 4.656 4.350 0.064 0.000 0.260 76 E C -0.235 176.334 176.600 -0.052 0.000 0.980 76 E CA 0.371 56.813 56.400 0.070 0.000 0.927 76 E CB 0.025 29.751 29.700 0.043 0.000 0.934 76 E HN 0.413 nan 8.360 nan 0.000 0.459 77 N N 0.635 119.291 118.700 -0.074 0.000 2.878 77 N HA -0.210 4.568 4.740 0.064 0.000 0.247 77 N C -1.230 174.136 175.510 -0.240 0.000 1.021 77 N CA 1.145 54.092 53.050 -0.171 0.000 0.873 77 N CB -1.418 36.922 38.487 -0.245 0.000 1.128 77 N HN 0.386 nan 8.380 nan 0.000 0.571 78 Y N 0.526 120.832 120.300 0.011 0.000 2.420 78 Y HA 0.661 5.250 4.550 0.065 0.000 0.334 78 Y C 0.843 176.746 175.900 0.006 0.000 1.094 78 Y CA -0.598 57.507 58.100 0.009 0.000 1.126 78 Y CB 1.212 39.678 38.460 0.010 0.000 1.217 78 Y HN 0.127 nan 8.280 nan 0.000 0.462 79 A N 2.579 125.516 122.820 0.196 0.000 2.371 79 A HA 0.412 4.771 4.320 0.064 0.000 0.257 79 A C -0.763 176.872 177.584 0.085 0.000 1.089 79 A CA -0.505 51.594 52.037 0.104 0.000 0.794 79 A CB 0.114 19.163 19.000 0.081 0.000 1.029 79 A HN 0.720 nan 8.150 nan 0.000 0.488 80 L N 2.882 124.135 121.223 0.050 0.000 2.360 80 L HA 0.518 4.896 4.340 0.064 0.000 0.276 80 L C 0.622 177.502 176.870 0.017 0.000 1.121 80 L CA 1.104 55.960 54.840 0.026 0.000 0.845 80 L CB 0.373 42.438 42.059 0.011 0.000 1.143 80 L HN 0.916 nan 8.230 nan 0.000 0.452 81 T N 0.399 114.958 114.554 0.008 0.000 2.864 81 T HA 0.680 5.068 4.350 0.064 0.000 0.289 81 T C 0.204 174.908 174.700 0.006 0.000 1.082 81 T CA -0.177 61.930 62.100 0.013 0.000 1.009 81 T CB 1.028 69.907 68.868 0.018 0.000 1.234 81 T HN 0.779 nan 8.240 nan 0.000 0.526 82 T N 0.167 114.739 114.554 0.031 0.000 2.698 82 T HA 0.258 4.646 4.350 0.064 0.000 0.295 82 T C 1.022 175.742 174.700 0.034 0.000 1.007 82 T CA -0.567 61.561 62.100 0.045 0.000 0.980 82 T CB -0.032 68.908 68.868 0.120 0.000 1.036 82 T HN 0.561 nan 8.240 nan 0.000 0.526 83 N N 0.365 119.088 118.700 0.039 0.000 2.459 83 N HA -0.056 4.723 4.740 0.064 0.000 0.181 83 N C 1.571 177.103 175.510 0.038 0.000 1.046 83 N CA 0.553 53.620 53.050 0.027 0.000 0.904 83 N CB -0.158 38.356 38.487 0.045 0.000 0.964 83 N HN 0.546 nan 8.380 nan 0.000 0.444 84 Q N -0.507 119.327 119.800 0.057 0.000 2.360 84 Q HA 0.192 4.571 4.340 0.064 0.000 0.202 84 Q C 0.761 176.784 176.000 0.040 0.000 0.915 84 Q CA 0.183 56.014 55.803 0.047 0.000 0.943 84 Q CB 0.450 29.220 28.738 0.054 0.000 1.064 84 Q HN 0.397 nan 8.270 nan 0.000 0.511 85 G N 0.467 109.290 108.800 0.039 0.000 2.132 85 G HA2 -0.232 3.767 3.960 0.064 0.000 0.234 85 G HA3 -0.232 3.767 3.960 0.064 0.000 0.234 85 G C 0.073 175.001 174.900 0.047 0.000 0.989 85 G CA 0.126 45.244 45.100 0.030 0.000 0.676 85 G HN 0.214 nan 8.290 nan 0.000 0.522 86 V N 1.640 121.598 119.914 0.074 0.000 2.461 86 V HA 0.365 4.524 4.120 0.064 0.000 0.275 86 V C 1.307 177.443 176.094 0.070 0.000 1.047 86 V CA -0.591 61.764 62.300 0.092 0.000 0.955 86 V CB 1.108 33.032 31.823 0.168 0.000 0.988 86 V HN 0.405 nan 8.190 nan 0.000 0.471 87 R N 4.382 124.916 120.500 0.056 0.000 2.570 87 R HA 0.338 4.716 4.340 0.064 0.000 0.277 87 R C -0.532 175.785 176.300 0.028 0.000 1.039 87 R CA -0.003 56.121 56.100 0.039 0.000 1.065 87 R CB 0.459 30.781 30.300 0.038 0.000 0.964 87 R HN 0.576 nan 8.270 nan 0.000 0.428 88 I N 2.108 122.683 120.570 0.007 0.000 2.359 88 I HA 0.128 4.336 4.170 0.064 0.000 0.294 88 I C 0.968 177.076 176.117 -0.016 0.000 0.987 88 I CA -0.003 61.285 61.300 -0.020 0.000 1.225 88 I CB 1.896 39.873 38.000 -0.038 0.000 1.366 88 I HN 0.771 nan 8.210 nan 0.000 0.466 89 A N 4.061 126.868 122.820 -0.021 0.000 1.911 89 A HA 0.005 4.364 4.320 0.064 0.000 0.212 89 A C 0.695 178.265 177.584 -0.024 0.000 1.189 89 A CA 0.964 52.992 52.037 -0.015 0.000 0.639 89 A CB 0.046 19.040 19.000 -0.011 0.000 0.839 89 A HN 0.679 nan 8.150 nan 0.000 0.449 90 D N -0.560 119.817 120.400 -0.037 0.000 2.440 90 D HA 0.325 5.003 4.640 0.064 0.000 0.252 90 D C -1.295 174.974 176.300 -0.052 0.000 1.180 90 D CA -0.369 53.607 54.000 -0.040 0.000 0.894 90 D CB 1.152 41.929 40.800 -0.039 0.000 1.111 90 D HN 0.064 nan 8.370 nan 0.000 0.544 91 D N 1.960 122.333 120.400 -0.046 0.000 2.370 91 D HA 0.045 4.723 4.640 0.064 0.000 0.230 91 D C 0.667 176.935 176.300 -0.052 0.000 1.143 91 D CA 0.313 54.282 54.000 -0.053 0.000 0.834 91 D CB 0.496 41.269 40.800 -0.044 0.000 0.944 91 D HN 0.245 nan 8.370 nan 0.000 0.504 92 Q N -0.650 119.121 119.800 -0.048 0.000 2.246 92 Q HA 0.259 4.637 4.340 0.064 0.000 0.222 92 Q C -0.160 175.811 176.000 -0.049 0.000 0.851 92 Q CA 0.167 55.942 55.803 -0.046 0.000 0.945 92 Q CB 0.843 29.558 28.738 -0.038 0.000 1.122 92 Q HN 0.191 nan 8.270 nan 0.000 0.508 93 N N 0.100 118.769 118.700 -0.052 0.000 2.277 93 N HA 0.300 5.078 4.740 0.064 0.000 0.286 93 N C -1.014 174.462 175.510 -0.057 0.000 1.140 93 N CA -0.235 52.786 53.050 -0.049 0.000 0.799 93 N CB 2.132 40.595 38.487 -0.040 0.000 1.596 93 N HN -0.172 nan 8.380 nan 0.000 0.473 94 S N 0.701 116.370 115.700 -0.051 0.000 2.632 94 S HA 0.315 4.823 4.470 0.064 0.000 0.267 94 S C 0.149 174.723 174.600 -0.044 0.000 1.276 94 S CA -0.584 57.584 58.200 -0.052 0.000 0.998 94 S CB 0.811 63.986 63.200 -0.041 0.000 0.953 94 S HN 0.411 nan 8.310 nan 0.000 0.547 95 L N 3.111 124.308 121.223 -0.044 0.000 2.319 95 L HA 0.433 4.811 4.340 0.064 0.000 0.280 95 L C 0.052 176.912 176.870 -0.015 0.000 1.099 95 L CA 0.303 55.126 54.840 -0.029 0.000 0.828 95 L CB -0.010 42.034 42.059 -0.026 0.000 1.150 95 L HN 0.726 nan 8.230 nan 0.000 0.442 96 R N 4.206 124.699 120.500 -0.011 0.000 2.836 96 R HA 0.867 5.246 4.340 0.064 0.000 0.269 96 R C -1.206 175.092 176.300 -0.002 0.000 1.010 96 R CA -0.892 55.204 56.100 -0.006 0.000 0.930 96 R CB 1.186 31.480 30.300 -0.010 0.000 1.218 96 R HN 0.591 nan 8.270 nan 0.000 0.473 97 A N 1.255 124.075 122.820 0.000 0.000 2.506 97 A HA 0.610 4.968 4.320 0.064 0.000 0.320 97 A C 0.550 178.134 177.584 -0.000 0.000 1.424 97 A CA 0.226 52.264 52.037 0.002 0.000 1.044 97 A CB -0.689 18.313 19.000 0.004 0.000 1.140 97 A HN 1.218 nan 8.150 nan 0.000 0.538 98 G N 1.231 110.030 108.800 -0.002 0.000 2.690 98 G HA2 0.044 4.043 3.960 0.064 0.000 0.686 98 G HA3 0.044 4.043 3.960 0.064 0.000 0.686 98 G C 0.719 175.616 174.900 -0.005 0.000 1.277 98 G CA 0.159 45.258 45.100 -0.003 0.000 0.799 98 G HN 1.850 nan 8.290 nan 0.000 0.613 99 S N -0.300 115.397 115.700 -0.007 0.000 2.474 99 S HA -0.023 4.486 4.470 0.064 0.000 0.235 99 S C 1.547 176.141 174.600 -0.009 0.000 0.997 99 S CA 1.499 59.694 58.200 -0.009 0.000 0.949 99 S CB 0.043 63.237 63.200 -0.009 0.000 0.766 99 S HN 0.764 nan 8.310 nan 0.000 0.517 100 R N 0.924 121.420 120.500 -0.008 0.000 2.613 100 R HA 0.353 4.731 4.340 0.064 0.000 0.361 100 R C 0.810 177.107 176.300 -0.006 0.000 1.072 100 R CA 0.028 56.124 56.100 -0.008 0.000 1.089 100 R CB 0.830 31.127 30.300 -0.007 0.000 1.343 100 R HN 0.429 nan 8.270 nan 0.000 0.571 101 G N 1.718 110.515 108.800 -0.006 0.000 0.000 101 G HA2 0.390 4.388 3.960 0.064 0.000 0.000 101 G HA3 0.390 4.388 3.960 0.064 0.000 0.000 101 G C -2.394 172.504 174.900 -0.004 0.000 0.000 101 G CA -1.166 43.931 45.100 -0.004 0.000 0.000 101 G HN -0.104 nan 8.290 nan 0.000 0.000 102 P HA 0.205 nan 4.420 nan 0.000 0.275 102 P C -0.130 177.169 177.300 -0.001 0.000 1.228 102 P CA -0.053 63.047 63.100 -0.001 0.000 0.786 102 P CB 0.798 32.499 31.700 0.002 0.000 0.927 103 T N 3.100 117.653 114.554 -0.002 0.000 2.901 103 T HA 0.231 4.619 4.350 0.064 0.000 0.301 103 T C 0.553 175.256 174.700 0.005 0.000 1.012 103 T CA -0.078 62.020 62.100 -0.003 0.000 1.135 103 T CB -0.028 68.836 68.868 -0.006 0.000 0.936 103 T HN 0.189 nan 8.240 nan 0.000 0.539 104 L N 3.486 124.713 121.223 0.007 0.000 2.357 104 L HA 0.322 4.700 4.340 0.064 0.000 0.273 104 L C 1.443 178.329 176.870 0.026 0.000 1.080 104 L CA -0.808 54.042 54.840 0.017 0.000 0.803 104 L CB 0.737 42.808 42.059 0.020 0.000 1.174 104 L HN 0.502 nan 8.230 nan 0.000 0.443 105 L N 2.011 123.254 121.223 0.033 0.000 2.191 105 L HA -0.177 4.201 4.340 0.064 0.000 0.212 105 L C 2.310 179.220 176.870 0.066 0.000 1.103 105 L CA 1.594 56.460 54.840 0.043 0.000 0.769 105 L CB -0.590 41.492 42.059 0.039 0.000 0.908 105 L HN 0.793 nan 8.230 nan 0.000 0.438 106 E N -1.557 118.687 120.200 0.072 0.000 2.516 106 E HA -0.171 4.218 4.350 0.064 0.000 0.199 106 E C 0.200 176.899 176.600 0.164 0.000 1.069 106 E CA 0.223 56.693 56.400 0.117 0.000 0.876 106 E CB -0.493 29.268 29.700 0.101 0.000 0.843 106 E HN 0.362 nan 8.360 nan 0.000 0.530 107 D N 1.180 121.631 120.400 0.084 0.000 2.455 107 D HA -0.044 4.634 4.640 0.064 0.000 0.234 107 D C 0.412 176.724 176.300 0.020 0.000 1.224 107 D CA -0.472 53.530 54.000 0.003 0.000 0.999 107 D CB -0.090 40.685 40.800 -0.041 0.000 1.072 107 D HN 0.303 nan 8.370 nan 0.000 0.514 108 F N 2.246 122.205 119.950 0.015 0.000 2.456 108 F HA 0.116 4.681 4.527 0.064 0.000 0.298 108 F C 1.605 177.418 175.800 0.022 0.000 1.104 108 F CA 0.059 58.071 58.000 0.020 0.000 1.435 108 F CB -0.544 38.467 39.000 0.018 0.000 1.078 108 F HN 0.186 nan 8.300 nan 0.000 0.546 109 I N 0.456 120.621 120.570 -0.674 0.000 2.233 109 I HA -0.201 4.008 4.170 0.064 0.000 0.243 109 I C 2.483 178.494 176.117 -0.176 0.000 1.093 109 I CA 1.109 62.137 61.300 -0.454 0.000 1.380 109 I CB -0.492 37.175 38.000 -0.555 0.000 1.067 109 I HN 0.287 nan 8.210 nan 0.000 0.413 110 L N 1.105 122.236 121.223 -0.153 0.000 1.994 110 L HA -0.191 4.187 4.340 0.064 0.000 0.208 110 L C 2.646 179.508 176.870 -0.013 0.000 1.071 110 L CA 1.848 56.644 54.840 -0.073 0.000 0.745 110 L CB -0.557 41.465 42.059 -0.062 0.000 0.892 110 L HN 0.043 nan 8.230 nan 0.000 0.431 111 R N -0.556 119.955 120.500 0.018 0.000 2.096 111 R HA -0.185 4.193 4.340 0.064 0.000 0.235 111 R C 2.317 178.675 176.300 0.096 0.000 1.127 111 R CA 1.593 57.733 56.100 0.067 0.000 0.968 111 R CB -0.401 29.953 30.300 0.090 0.000 0.861 111 R HN 0.602 nan 8.270 nan 0.000 0.440 112 E N 1.195 121.457 120.200 0.103 0.000 2.047 112 E HA -0.230 4.159 4.350 0.064 0.000 0.191 112 E C 1.945 178.625 176.600 0.134 0.000 0.987 112 E CA 1.185 57.664 56.400 0.132 0.000 0.799 112 E CB 0.104 29.886 29.700 0.136 0.000 0.752 112 E HN 0.146 nan 8.360 nan 0.000 0.449 113 K N 0.303 120.749 120.400 0.077 0.000 2.032 113 K HA -0.156 4.202 4.320 0.064 0.000 0.209 113 K C 2.126 178.800 176.600 0.124 0.000 1.048 113 K CA 1.482 57.812 56.287 0.071 0.000 0.927 113 K CB -0.049 32.451 32.500 -0.000 0.000 0.712 113 K HN 0.160 nan 8.250 nan 0.000 0.441 114 I N 1.221 121.849 120.570 0.096 0.000 2.353 114 I HA -0.179 4.029 4.170 0.064 0.000 0.248 114 I C 2.142 178.375 176.117 0.195 0.000 1.119 114 I CA 1.308 62.687 61.300 0.131 0.000 1.417 114 I CB -1.407 36.633 38.000 0.066 0.000 1.078 114 I HN 0.248 nan 8.210 nan 0.000 0.421 115 T N -0.280 114.379 114.554 0.175 0.000 2.684 115 T HA -0.225 4.163 4.350 0.064 0.000 0.267 115 T C 1.965 176.813 174.700 0.246 0.000 1.036 115 T CA 1.433 63.660 62.100 0.211 0.000 1.148 115 T CB -0.426 68.571 68.868 0.214 0.000 0.863 115 T HN 0.338 nan 8.240 nan 0.000 0.436 116 H N -0.101 119.067 119.070 0.163 0.000 2.357 116 H HA -0.050 4.545 4.556 0.065 0.000 0.301 116 H C 2.182 177.573 175.328 0.105 0.000 1.082 116 H CA 1.433 57.562 56.048 0.135 0.000 1.342 116 H CB -0.417 29.404 29.762 0.099 0.000 1.389 116 H HN 0.386 nan 8.280 nan 0.000 0.511 117 F N 2.103 122.128 119.950 0.126 0.000 2.095 117 F HA -0.209 4.358 4.527 0.065 0.000 0.298 117 F C 2.017 177.773 175.800 -0.074 0.000 1.104 117 F CA 1.800 59.816 58.000 0.027 0.000 1.232 117 F CB -0.362 38.642 39.000 0.008 0.000 0.987 117 F HN 0.063 nan 8.300 nan 0.000 0.475 118 D N -1.081 119.222 120.400 -0.161 0.000 2.221 118 D HA -0.166 4.513 4.640 0.064 0.000 0.204 118 D C 1.253 177.159 176.300 -0.656 0.000 0.982 118 D CA 1.324 55.063 54.000 -0.436 0.000 0.857 118 D CB -0.403 40.126 40.800 -0.451 0.000 0.934 118 D HN 0.496 nan 8.370 nan 0.000 0.475 119 H N -0.264 118.689 119.070 -0.196 0.000 2.475 119 H HA 0.228 4.823 4.556 0.065 0.000 0.276 119 H C 1.009 176.181 175.328 -0.261 0.000 1.126 119 H CA -0.100 55.829 56.048 -0.198 0.000 1.023 119 H CB 0.471 30.133 29.762 -0.167 0.000 1.669 119 H HN 0.278 nan 8.280 nan 0.000 0.573 120 E N 0.736 120.780 120.200 -0.259 0.000 2.106 120 E HA -0.048 4.340 4.350 0.064 0.000 0.192 120 E C 0.530 176.982 176.600 -0.247 0.000 0.984 120 E CA 0.547 56.772 56.400 -0.293 0.000 0.806 120 E CB 0.409 29.910 29.700 -0.331 0.000 0.750 120 E HN 0.169 nan 8.360 nan 0.000 0.458 121 R N 1.430 121.837 120.500 -0.156 0.000 2.438 121 R HA 0.287 4.665 4.340 0.064 0.000 0.287 121 R C 0.456 176.786 176.300 0.049 0.000 1.077 121 R CA -0.093 55.984 56.100 -0.038 0.000 1.034 121 R CB 0.400 30.669 30.300 -0.052 0.000 0.993 121 R HN 0.203 nan 8.270 nan 0.000 0.459 122 I N -0.740 119.920 120.570 0.150 0.000 2.797 122 I HA 0.565 4.773 4.170 0.064 0.000 0.307 122 I C -2.217 173.961 176.117 0.101 0.000 1.033 122 I CA -3.011 58.372 61.300 0.139 0.000 1.071 122 I CB 1.784 39.904 38.000 0.201 0.000 1.255 122 I HN 0.244 nan 8.210 nan 0.000 0.445 123 P HA 0.053 nan 4.420 nan 0.000 0.264 123 P C -0.873 176.458 177.300 0.053 0.000 1.183 123 P CA 0.050 63.177 63.100 0.046 0.000 0.763 123 P CB 0.381 32.097 31.700 0.027 0.000 0.807 124 E N 2.768 123.001 120.200 0.055 0.000 2.342 124 E HA 0.244 4.632 4.350 0.064 0.000 0.257 124 E C -0.455 176.175 176.600 0.049 0.000 1.150 124 E CA -0.940 55.499 56.400 0.065 0.000 0.926 124 E CB 0.670 30.415 29.700 0.074 0.000 1.074 124 E HN 0.245 nan 8.360 nan 0.000 0.449 125 R N 0.728 121.262 120.500 0.058 0.000 2.640 125 R HA -0.011 4.367 4.340 0.064 0.000 0.270 125 R C 1.285 177.622 176.300 0.060 0.000 1.024 125 R CA -0.405 55.726 56.100 0.052 0.000 1.085 125 R CB 0.231 30.581 30.300 0.082 0.000 0.963 125 R HN 0.571 nan 8.270 nan 0.000 0.426 126 I N 1.779 122.379 120.570 0.050 0.000 2.208 126 I HA -0.149 4.059 4.170 0.064 0.000 0.245 126 I C 1.231 177.402 176.117 0.091 0.000 1.097 126 I CA 1.568 62.907 61.300 0.065 0.000 1.363 126 I CB -1.075 36.967 38.000 0.070 0.000 1.051 126 I HN 0.410 nan 8.210 nan 0.000 0.413 127 V N -3.336 116.663 119.914 0.143 0.000 3.040 127 V HA 0.514 4.672 4.120 0.064 0.000 0.312 127 V C 0.394 176.648 176.094 0.267 0.000 1.115 127 V CA -0.848 61.560 62.300 0.180 0.000 0.998 127 V CB 1.792 33.792 31.823 0.295 0.000 1.042 127 V HN 0.440 nan 8.190 nan 0.000 0.433 128 H N 0.418 119.558 119.070 0.116 0.000 2.862 128 H HA -0.220 4.374 4.556 0.064 0.000 0.290 128 H C 1.523 176.903 175.328 0.088 0.000 1.211 128 H CA 0.806 56.915 56.048 0.102 0.000 1.140 128 H CB -1.240 28.571 29.762 0.082 0.000 1.341 128 H HN 1.163 nan 8.280 nan 0.000 0.392 129 A N 0.704 123.619 122.820 0.158 0.000 2.015 129 A HA -0.096 4.263 4.320 0.064 0.000 0.219 129 A C 1.711 179.390 177.584 0.158 0.000 1.163 129 A CA 1.200 53.319 52.037 0.137 0.000 0.646 129 A CB -0.058 19.001 19.000 0.099 0.000 0.806 129 A HN 0.240 nan 8.150 nan 0.000 0.448 130 R N 0.377 120.971 120.500 0.157 0.000 2.210 130 R HA 0.507 4.885 4.340 0.064 0.000 0.338 130 R C -0.137 176.296 176.300 0.221 0.000 1.062 130 R CA 0.649 56.859 56.100 0.184 0.000 0.902 130 R CB 0.104 30.500 30.300 0.159 0.000 1.050 130 R HN 0.330 nan 8.270 nan 0.000 0.461 131 G N 0.876 109.832 108.800 0.261 0.000 2.673 131 G HA2 0.505 4.503 3.960 0.064 0.000 0.292 131 G HA3 0.505 4.503 3.960 0.064 0.000 0.292 131 G C -1.618 173.451 174.900 0.281 0.000 1.450 131 G CA -0.585 44.638 45.100 0.205 0.000 0.837 131 G HN 0.484 nan 8.290 nan 0.000 0.505 132 S N -0.949 114.861 115.700 0.184 0.000 2.538 132 S HA 0.885 5.393 4.470 0.064 0.000 0.288 132 S C -0.098 174.506 174.600 0.007 0.000 1.108 132 S CA -0.177 58.182 58.200 0.266 0.000 0.971 132 S CB 1.739 65.212 63.200 0.454 0.000 1.041 132 S HN 1.519 nan 8.310 nan 0.000 0.483 133 A N 1.605 124.389 122.820 -0.060 0.000 2.479 133 A HA 1.037 5.395 4.320 0.064 0.000 0.296 133 A C -0.852 176.549 177.584 -0.306 0.000 1.121 133 A CA -0.749 51.047 52.037 -0.401 0.000 0.743 133 A CB 1.601 20.187 19.000 -0.690 0.000 1.323 133 A HN 1.316 nan 8.150 nan 0.000 0.415 134 A N 0.300 122.780 122.820 -0.567 0.000 2.609 134 A HA 0.728 5.086 4.320 0.064 0.000 0.291 134 A C -1.052 176.333 177.584 -0.332 0.000 1.096 134 A CA -0.659 51.197 52.037 -0.303 0.000 0.684 134 A CB 0.748 19.661 19.000 -0.144 0.000 1.282 134 A HN 0.883 nan 8.150 nan 0.000 0.412 135 H N -0.385 118.704 119.070 0.032 0.000 2.488 135 H HA 0.692 5.286 4.556 0.064 0.000 0.347 135 H C 0.577 175.905 175.328 -0.000 0.000 1.174 135 H CA 0.675 56.798 56.048 0.125 0.000 1.307 135 H CB 1.847 31.686 29.762 0.129 0.000 1.517 135 H HN 1.126 nan 8.280 nan 0.000 0.554 136 G N 0.383 109.286 108.800 0.171 0.000 2.494 136 G HA2 0.374 4.373 3.960 0.064 0.000 0.308 136 G HA3 0.374 4.373 3.960 0.064 0.000 0.308 136 G C -2.079 172.956 174.900 0.225 0.000 1.263 136 G CA -0.714 44.446 45.100 0.100 0.000 0.840 136 G HN 0.638 nan 8.290 nan 0.000 0.479 137 Y N -1.804 118.538 120.300 0.070 0.000 2.597 137 Y HA 0.838 5.426 4.550 0.063 0.000 0.340 137 Y C -1.652 174.392 175.900 0.240 0.000 1.097 137 Y CA -1.877 56.310 58.100 0.144 0.000 1.037 137 Y CB 1.923 40.439 38.460 0.092 0.000 1.305 137 Y HN 0.825 nan 8.280 nan 0.000 0.463 138 F N 2.785 122.881 119.950 0.243 0.000 2.588 138 F HA 0.715 5.281 4.527 0.066 0.000 0.314 138 F C -1.555 174.430 175.800 0.307 0.000 1.069 138 F CA -0.602 57.543 58.000 0.241 0.000 0.931 138 F CB 2.302 41.578 39.000 0.460 0.000 1.260 138 F HN 0.799 nan 8.300 nan 0.000 0.465 139 Q N 4.667 123.900 119.800 -0.946 0.000 2.352 139 Q HA 0.503 4.881 4.340 0.064 0.000 0.270 139 Q C -3.325 172.047 176.000 -1.047 0.000 1.006 139 Q CA -2.204 53.203 55.803 -0.660 0.000 0.880 139 Q CB 2.561 31.224 28.738 -0.125 0.000 1.392 139 Q HN 0.322 nan 8.270 nan 0.000 0.401 140 P HA 0.028 nan 4.420 nan 0.000 0.274 140 P C -0.415 176.736 177.300 -0.249 0.000 1.231 140 P CA -0.054 62.790 63.100 -0.426 0.000 0.790 140 P CB 0.646 32.262 31.700 -0.140 0.000 0.951 141 Y N 0.795 121.024 120.300 -0.118 0.000 2.337 141 Y HA -0.058 4.530 4.550 0.065 0.000 0.293 141 Y C 1.422 177.289 175.900 -0.055 0.000 1.123 141 Y CA 0.510 58.565 58.100 -0.075 0.000 1.201 141 Y CB 0.218 38.643 38.460 -0.058 0.000 1.011 141 Y HN 0.373 nan 8.280 nan 0.000 0.545 142 K N -1.262 119.191 120.400 0.088 0.000 2.555 142 K HA 0.389 4.747 4.320 0.064 0.000 0.279 142 K C -0.916 175.682 176.600 -0.003 0.000 0.986 142 K CA -0.944 55.367 56.287 0.039 0.000 0.880 142 K CB 1.490 34.015 32.500 0.042 0.000 1.474 142 K HN -0.259 nan 8.250 nan 0.000 0.433 143 S N 0.803 116.500 115.700 -0.005 0.000 2.549 143 S HA 0.129 4.637 4.470 0.064 0.000 0.286 143 S C 0.331 174.915 174.600 -0.026 0.000 1.314 143 S CA -0.528 57.661 58.200 -0.019 0.000 1.062 143 S CB -0.160 63.034 63.200 -0.011 0.000 0.865 143 S HN 0.554 nan 8.310 nan 0.000 0.498 144 L N 4.737 125.932 121.223 -0.045 0.000 3.017 144 L HA 0.153 4.531 4.340 0.064 0.000 0.255 144 L C 1.958 178.809 176.870 -0.033 0.000 1.247 144 L CA -0.048 54.772 54.840 -0.034 0.000 1.038 144 L CB -0.119 41.916 42.059 -0.040 0.000 1.380 144 L HN 0.854 nan 8.230 nan 0.000 0.548 145 S N -1.753 113.927 115.700 -0.033 0.000 2.442 145 S HA -0.178 4.331 4.470 0.064 0.000 0.236 145 S C 1.235 175.818 174.600 -0.027 0.000 1.007 145 S CA 1.101 59.282 58.200 -0.032 0.000 0.965 145 S CB -0.115 63.071 63.200 -0.024 0.000 0.773 145 S HN 0.397 nan 8.310 nan 0.000 0.504 146 D N 1.949 122.337 120.400 -0.019 0.000 2.269 146 D HA 0.046 4.725 4.640 0.064 0.000 0.208 146 D C 1.777 178.062 176.300 -0.025 0.000 0.963 146 D CA 1.329 55.318 54.000 -0.018 0.000 0.864 146 D CB -0.146 40.648 40.800 -0.009 0.000 0.936 146 D HN 0.810 nan 8.370 nan 0.000 0.505 147 I N -4.048 116.509 120.570 -0.023 0.000 4.288 147 I HA 0.236 4.445 4.170 0.064 0.000 0.331 147 I C 0.383 176.464 176.117 -0.059 0.000 1.322 147 I CA -0.056 61.223 61.300 -0.035 0.000 1.149 147 I CB 1.192 39.191 38.000 -0.001 0.000 1.112 147 I HN -0.265 nan 8.210 nan 0.000 0.403 148 T N 1.581 116.102 114.554 -0.055 0.000 2.982 148 T HA 0.309 4.697 4.350 0.064 0.000 0.321 148 T C -0.025 174.627 174.700 -0.080 0.000 1.229 148 T CA -0.680 61.370 62.100 -0.083 0.000 1.044 148 T CB 1.771 70.584 68.868 -0.092 0.000 1.184 148 T HN 0.425 nan 8.240 nan 0.000 0.477 149 K N 2.485 122.836 120.400 -0.081 0.000 2.417 149 K HA 0.561 4.919 4.320 0.064 0.000 0.196 149 K C 0.768 177.333 176.600 -0.057 0.000 1.023 149 K CA -0.277 55.973 56.287 -0.062 0.000 1.122 149 K CB 0.237 32.705 32.500 -0.053 0.000 0.850 149 K HN 0.497 nan 8.250 nan 0.000 0.521 150 A N 2.158 124.924 122.820 -0.091 0.000 2.548 150 A HA -0.061 4.297 4.320 0.064 0.000 0.247 150 A C 0.540 178.090 177.584 -0.056 0.000 1.067 150 A CA 0.111 52.106 52.037 -0.071 0.000 0.757 150 A CB 0.079 18.986 19.000 -0.154 0.000 0.996 150 A HN 0.453 nan 8.150 nan 0.000 0.504 151 D N 2.050 122.487 120.400 0.060 0.000 2.144 151 D HA -0.225 4.453 4.640 0.064 0.000 0.199 151 D C 1.355 177.729 176.300 0.122 0.000 0.984 151 D CA 2.239 56.290 54.000 0.084 0.000 0.834 151 D CB -0.237 40.633 40.800 0.117 0.000 0.955 151 D HN 0.738 nan 8.370 nan 0.000 0.465 152 F N -0.737 119.230 119.950 0.028 0.000 2.641 152 F HA 0.154 4.720 4.527 0.065 0.000 0.298 152 F C 1.039 176.925 175.800 0.143 0.000 1.146 152 F CA 0.405 58.462 58.000 0.095 0.000 1.464 152 F CB -0.182 38.861 39.000 0.071 0.000 1.101 152 F HN -0.054 nan 8.300 nan 0.000 0.585 153 L N 0.660 121.583 121.223 -0.500 0.000 2.857 153 L HA 0.189 4.568 4.340 0.064 0.000 0.249 153 L C 1.941 178.714 176.870 -0.161 0.000 1.172 153 L CA 0.356 54.965 54.840 -0.385 0.000 0.980 153 L CB -0.000 41.702 42.059 -0.594 0.000 1.299 153 L HN 0.307 nan 8.230 nan 0.000 0.535 154 S N -2.291 113.359 115.700 -0.084 0.000 2.501 154 S HA 0.026 4.534 4.470 0.064 0.000 0.220 154 S C 0.462 175.056 174.600 -0.011 0.000 0.997 154 S CA 0.001 58.178 58.200 -0.039 0.000 0.919 154 S CB 0.159 63.351 63.200 -0.012 0.000 0.778 154 S HN 0.348 nan 8.310 nan 0.000 0.523 155 D N 0.671 121.074 120.400 0.005 0.000 2.966 155 D HA 0.338 5.016 4.640 0.064 0.000 0.222 155 D C -2.524 173.786 176.300 0.018 0.000 1.292 155 D CA -1.950 52.059 54.000 0.016 0.000 0.907 155 D CB 2.183 43.002 40.800 0.031 0.000 1.621 155 D HN -0.164 nan 8.370 nan 0.000 0.557 156 P HA -0.049 nan 4.420 nan 0.000 0.222 156 P C 0.420 177.733 177.300 0.022 0.000 1.147 156 P CA 0.770 63.877 63.100 0.012 0.000 0.790 156 P CB 0.436 32.155 31.700 0.031 0.000 0.780 157 N N -0.630 118.089 118.700 0.031 0.000 2.230 157 N HA 0.051 4.829 4.740 0.064 0.000 0.202 157 N C 0.313 175.852 175.510 0.048 0.000 1.119 157 N CA 0.076 53.148 53.050 0.037 0.000 0.851 157 N CB 0.665 39.170 38.487 0.030 0.000 0.990 157 N HN 0.237 nan 8.380 nan 0.000 0.497 158 K N 1.452 121.889 120.400 0.063 0.000 2.263 158 K HA 0.408 4.767 4.320 0.064 0.000 0.272 158 K C -0.488 176.197 176.600 0.140 0.000 1.033 158 K CA -0.313 56.030 56.287 0.093 0.000 0.884 158 K CB 1.047 33.606 32.500 0.097 0.000 1.107 158 K HN -0.061 nan 8.250 nan 0.000 0.460 159 I N 2.912 123.570 120.570 0.146 0.000 2.440 159 I HA 0.184 4.393 4.170 0.064 0.000 0.294 159 I C -0.108 176.177 176.117 0.280 0.000 0.995 159 I CA -0.479 60.948 61.300 0.212 0.000 1.306 159 I CB 1.954 40.038 38.000 0.140 0.000 1.407 159 I HN 0.520 nan 8.210 nan 0.000 0.501 160 T N 6.704 121.509 114.554 0.418 0.000 2.791 160 T HA 0.347 4.735 4.350 0.064 0.000 0.288 160 T C -2.520 172.445 174.700 0.442 0.000 0.999 160 T CA -1.437 60.933 62.100 0.451 0.000 0.952 160 T CB 1.513 70.753 68.868 0.621 0.000 0.938 160 T HN 0.264 nan 8.240 nan 0.000 0.444 161 P HA 0.262 nan 4.420 nan 0.000 0.268 161 P C -0.497 177.047 177.300 0.408 0.000 1.205 161 P CA -0.404 62.892 63.100 0.326 0.000 0.771 161 P CB 0.513 32.323 31.700 0.183 0.000 0.858 162 V N 0.137 120.232 119.914 0.302 0.000 3.074 162 V HA 0.751 4.909 4.120 0.064 0.000 0.314 162 V C -1.291 174.973 176.094 0.284 0.000 1.117 162 V CA -1.001 61.386 62.300 0.145 0.000 1.014 162 V CB 2.267 33.955 31.823 -0.225 0.000 1.057 162 V HN 0.330 nan 8.190 nan 0.000 0.438 163 F N 1.877 121.823 119.950 -0.007 0.000 2.536 163 F HA 0.826 5.391 4.527 0.063 0.000 0.322 163 F C -0.917 174.785 175.800 -0.163 0.000 1.144 163 F CA -0.726 57.211 58.000 -0.105 0.000 0.924 163 F CB 1.908 40.871 39.000 -0.061 0.000 1.181 163 F HN 0.521 nan 8.300 nan 0.000 0.438 164 V N 6.649 126.083 119.914 -0.800 0.000 2.555 164 V HA 0.573 4.732 4.120 0.064 0.000 0.302 164 V C -0.635 174.773 176.094 -1.144 0.000 1.038 164 V CA -0.817 60.941 62.300 -0.904 0.000 0.887 164 V CB 1.958 33.195 31.823 -0.977 0.000 0.991 164 V HN 0.727 nan 8.190 nan 0.000 0.434 165 R N 3.610 123.442 120.500 -1.114 0.000 2.439 165 R HA 0.606 4.985 4.340 0.064 0.000 0.310 165 R C -1.591 174.093 176.300 -1.027 0.000 0.955 165 R CA -0.417 55.132 56.100 -0.919 0.000 0.853 165 R CB 1.093 31.059 30.300 -0.557 0.000 1.171 165 R HN 0.548 nan 8.270 nan 0.000 0.449 166 F N 2.004 121.537 119.950 -0.694 0.000 2.399 166 F HA 0.525 5.092 4.527 0.065 0.000 0.328 166 F C 0.557 176.001 175.800 -0.592 0.000 1.084 166 F CA -0.152 57.313 58.000 -0.891 0.000 1.053 166 F CB 2.092 40.045 39.000 -1.745 0.000 1.209 166 F HN 0.618 nan 8.300 nan 0.000 0.502 167 S N -1.002 114.622 115.700 -0.127 0.000 2.643 167 S HA 0.681 5.190 4.470 0.064 0.000 0.270 167 S C -0.619 174.135 174.600 0.256 0.000 1.166 167 S CA -0.844 57.434 58.200 0.129 0.000 0.815 167 S CB 1.419 64.746 63.200 0.213 0.000 1.139 167 S HN 0.691 nan 8.310 nan 0.000 0.472 168 T N -1.690 113.005 114.554 0.235 0.000 2.902 168 T HA 0.729 5.117 4.350 0.064 0.000 0.287 168 T C 0.728 175.415 174.700 -0.022 0.000 1.048 168 T CA -0.182 62.021 62.100 0.171 0.000 0.941 168 T CB 0.447 69.415 68.868 0.168 0.000 1.432 168 T HN 0.599 nan 8.240 nan 0.000 0.586 169 V N -0.232 119.626 119.914 -0.092 0.000 2.948 169 V HA 0.126 4.284 4.120 0.064 0.000 0.234 169 V C 2.724 178.752 176.094 -0.111 0.000 1.205 169 V CA 0.296 62.419 62.300 -0.295 0.000 1.234 169 V CB -0.228 31.509 31.823 -0.143 0.000 1.020 169 V HN 0.849 nan 8.190 nan 0.000 0.491 170 Q N 1.079 120.850 119.800 -0.048 0.000 2.062 170 Q HA 0.048 4.427 4.340 0.064 0.000 0.196 170 Q C 1.323 177.308 176.000 -0.026 0.000 0.967 170 Q CA 1.345 57.119 55.803 -0.049 0.000 0.832 170 Q CB -0.379 28.316 28.738 -0.071 0.000 0.899 170 Q HN 0.591 nan 8.270 nan 0.000 0.442 171 G N 0.062 108.860 108.800 -0.003 0.000 2.614 171 G HA2 0.302 4.300 3.960 0.064 0.000 0.239 171 G HA3 0.302 4.300 3.960 0.064 0.000 0.239 171 G C 0.221 175.135 174.900 0.023 0.000 1.240 171 G CA 0.135 45.240 45.100 0.007 0.000 0.842 171 G HN 0.346 nan 8.290 nan 0.000 0.584 172 G N -0.767 108.042 108.800 0.014 0.000 2.653 172 G HA2 0.483 4.482 3.960 0.064 0.000 0.265 172 G HA3 0.483 4.482 3.960 0.064 0.000 0.265 172 G C 1.343 176.276 174.900 0.055 0.000 1.237 172 G CA 0.403 45.520 45.100 0.029 0.000 0.946 172 G HN 1.111 nan 8.290 nan 0.000 0.522 173 A N -0.792 122.071 122.820 0.072 0.000 2.070 173 A HA 0.121 4.479 4.320 0.064 0.000 0.220 173 A C 2.226 179.849 177.584 0.064 0.000 1.159 173 A CA 1.965 54.062 52.037 0.100 0.000 0.656 173 A CB -0.393 18.684 19.000 0.128 0.000 0.800 173 A HN 1.102 nan 8.150 nan 0.000 0.453 174 G N -0.168 108.651 108.800 0.033 0.000 3.284 174 G HA2 0.325 4.324 3.960 0.064 0.000 0.236 174 G HA3 0.325 4.324 3.960 0.064 0.000 0.236 174 G C 0.695 175.598 174.900 0.005 0.000 1.158 174 G CA 0.638 45.742 45.100 0.007 0.000 0.774 174 G HN 0.649 nan 8.290 nan 0.000 0.545 175 S N -0.239 115.474 115.700 0.021 0.000 2.655 175 S HA 0.741 5.249 4.470 0.064 0.000 0.265 175 S C 0.462 175.079 174.600 0.028 0.000 1.240 175 S CA -0.125 58.084 58.200 0.016 0.000 0.986 175 S CB 1.619 64.830 63.200 0.019 0.000 0.985 175 S HN 0.530 nan 8.310 nan 0.000 0.562 176 A N 0.210 123.042 122.820 0.020 0.000 2.322 176 A HA 0.422 4.780 4.320 0.064 0.000 0.269 176 A C 0.618 178.228 177.584 0.043 0.000 1.094 176 A CA -0.565 51.482 52.037 0.015 0.000 0.807 176 A CB -0.095 18.897 19.000 -0.014 0.000 1.047 176 A HN 0.866 nan 8.150 nan 0.000 0.487 177 D N 0.389 120.802 120.400 0.023 0.000 2.120 177 D HA -0.062 4.616 4.640 0.064 0.000 0.202 177 D C 1.610 177.892 176.300 -0.030 0.000 0.972 177 D CA 2.251 56.274 54.000 0.038 0.000 0.837 177 D CB -0.272 40.500 40.800 -0.047 0.000 0.989 177 D HN 0.677 nan 8.370 nan 0.000 0.469 178 T N -0.005 114.452 114.554 -0.161 0.000 3.418 178 T HA 0.290 4.679 4.350 0.064 0.000 0.239 178 T C 0.817 175.521 174.700 0.007 0.000 0.905 178 T CA -0.567 61.444 62.100 -0.147 0.000 0.929 178 T CB -1.010 67.689 68.868 -0.281 0.000 1.121 178 T HN -0.087 nan 8.240 nan 0.000 0.608 179 V N -1.328 118.639 119.914 0.089 0.000 3.385 179 V HA 0.479 4.638 4.120 0.064 0.000 0.301 179 V C 0.684 176.930 176.094 0.253 0.000 1.082 179 V CA -1.502 60.899 62.300 0.169 0.000 1.085 179 V CB 0.505 32.410 31.823 0.137 0.000 1.152 179 V HN 0.556 nan 8.190 nan 0.000 0.465 180 R N 1.335 122.023 120.500 0.314 0.000 2.202 180 R HA 0.506 4.885 4.340 0.064 0.000 0.334 180 R C -1.059 175.320 176.300 0.131 0.000 1.036 180 R CA -0.096 56.138 56.100 0.222 0.000 0.878 180 R CB 0.258 30.606 30.300 0.081 0.000 1.067 180 R HN 1.058 nan 8.270 nan 0.000 0.457 181 D N 3.207 123.697 120.400 0.150 0.000 2.764 181 D HA 0.188 4.866 4.640 0.064 0.000 0.293 181 D C -0.735 175.675 176.300 0.184 0.000 1.287 181 D CA -0.596 53.485 54.000 0.134 0.000 0.768 181 D CB 1.193 42.065 40.800 0.121 0.000 1.288 181 D HN 0.230 nan 8.370 nan 0.000 0.426 182 I N 1.238 121.932 120.570 0.208 0.000 2.823 182 I HA 0.301 4.510 4.170 0.064 0.000 0.290 182 I C 0.794 177.048 176.117 0.228 0.000 1.091 182 I CA -0.160 61.269 61.300 0.215 0.000 1.365 182 I CB 0.223 38.373 38.000 0.251 0.000 1.427 182 I HN 0.250 nan 8.210 nan 0.000 0.583 183 R N 2.451 123.106 120.500 0.258 0.000 2.589 183 R HA 0.584 4.962 4.340 0.064 0.000 0.293 183 R C -0.079 176.413 176.300 0.320 0.000 0.963 183 R CA -0.769 55.504 56.100 0.289 0.000 0.905 183 R CB 1.493 31.982 30.300 0.315 0.000 1.144 183 R HN 0.808 nan 8.270 nan 0.000 0.459 184 G N 0.766 109.778 108.800 0.353 0.000 2.425 184 G HA2 0.505 4.503 3.960 0.064 0.000 0.302 184 G HA3 0.505 4.503 3.960 0.064 0.000 0.302 184 G C -1.306 173.672 174.900 0.130 0.000 1.159 184 G CA -0.073 45.202 45.100 0.290 0.000 0.865 184 G HN 0.354 nan 8.290 nan 0.000 0.515 185 F N 1.661 121.509 119.950 -0.170 0.000 3.090 185 F HA 0.630 5.194 4.527 0.063 0.000 0.381 185 F C -0.191 175.306 175.800 -0.504 0.000 1.231 185 F CA -1.793 56.007 58.000 -0.334 0.000 1.177 185 F CB 0.877 39.792 39.000 -0.140 0.000 1.598 185 F HN 0.664 nan 8.300 nan 0.000 0.589 186 A N 3.134 125.665 122.820 -0.482 0.000 2.304 186 A HA 0.802 5.160 4.320 0.064 0.000 0.323 186 A C -0.523 176.592 177.584 -0.782 0.000 1.195 186 A CA -0.406 51.181 52.037 -0.750 0.000 0.826 186 A CB 0.801 18.968 19.000 -1.388 0.000 1.184 186 A HN 0.531 nan 8.150 nan 0.000 0.496 187 T N 2.316 116.576 114.554 -0.490 0.000 2.841 187 T HA 0.393 4.781 4.350 0.064 0.000 0.285 187 T C -0.419 174.080 174.700 -0.335 0.000 0.991 187 T CA -0.502 61.325 62.100 -0.455 0.000 0.966 187 T CB 1.094 69.643 68.868 -0.531 0.000 0.962 187 T HN 0.635 nan 8.240 nan 0.000 0.438 188 K N 3.454 123.745 120.400 -0.183 0.000 2.263 188 K HA 0.460 4.818 4.320 0.064 0.000 0.272 188 K C -1.281 174.983 176.600 -0.559 0.000 1.033 188 K CA -0.604 55.496 56.287 -0.312 0.000 0.884 188 K CB 0.407 32.686 32.500 -0.368 0.000 1.107 188 K HN 0.403 nan 8.250 nan 0.000 0.460 189 F N 4.247 123.908 119.950 -0.482 0.000 2.391 189 F HA 0.236 4.800 4.527 0.062 0.000 0.359 189 F C -0.392 175.199 175.800 -0.348 0.000 1.122 189 F CA -0.575 57.209 58.000 -0.359 0.000 1.120 189 F CB 0.692 39.394 39.000 -0.497 0.000 1.142 189 F HN 0.444 nan 8.300 nan 0.000 0.483 190 Y N 1.920 122.283 120.300 0.105 0.000 2.632 190 Y HA 0.216 4.804 4.550 0.064 0.000 0.336 190 Y C 1.048 177.010 175.900 0.102 0.000 1.237 190 Y CA -0.840 57.303 58.100 0.071 0.000 1.595 190 Y CB -0.236 38.255 38.460 0.052 0.000 1.508 190 Y HN 0.545 nan 8.280 nan 0.000 0.480 191 T N -2.381 112.270 114.554 0.161 0.000 2.847 191 T HA 0.172 4.561 4.350 0.064 0.000 0.279 191 T C 1.014 175.808 174.700 0.155 0.000 0.984 191 T CA -0.704 61.498 62.100 0.169 0.000 0.988 191 T CB 1.087 70.029 68.868 0.123 0.000 1.040 191 T HN 0.643 nan 8.240 nan 0.000 0.528 192 E N -0.017 120.278 120.200 0.159 0.000 2.418 192 E HA -0.047 4.342 4.350 0.064 0.000 0.197 192 E C 1.075 177.740 176.600 0.110 0.000 1.026 192 E CA 0.742 57.218 56.400 0.126 0.000 0.862 192 E CB 0.119 29.890 29.700 0.118 0.000 0.799 192 E HN 0.727 nan 8.360 nan 0.000 0.518 193 E N 0.045 120.312 120.200 0.111 0.000 2.651 193 E HA 0.257 4.645 4.350 0.064 0.000 0.208 193 E C 0.059 176.707 176.600 0.080 0.000 0.997 193 E CA -0.244 56.214 56.400 0.097 0.000 1.020 193 E CB 1.332 31.092 29.700 0.101 0.000 1.052 193 E HN 0.175 nan 8.360 nan 0.000 0.465 194 G N 1.082 109.924 108.800 0.069 0.000 2.362 194 G HA2 -0.088 3.910 3.960 0.064 0.000 0.656 194 G HA3 -0.088 3.910 3.960 0.064 0.000 0.656 194 G C -0.937 173.969 174.900 0.009 0.000 1.376 194 G CA -1.124 43.994 45.100 0.029 0.000 0.971 194 G HN 0.009 nan 8.290 nan 0.000 0.636 195 I N 0.670 121.210 120.570 -0.050 0.000 2.556 195 I HA 0.382 4.590 4.170 0.064 0.000 0.284 195 I C 0.037 176.158 176.117 0.007 0.000 1.114 195 I CA 0.015 61.258 61.300 -0.095 0.000 1.418 195 I CB 0.831 38.704 38.000 -0.211 0.000 1.394 195 I HN 0.464 nan 8.210 nan 0.000 0.552 196 F N 6.581 126.421 119.950 -0.183 0.000 2.460 196 F HA 0.449 5.013 4.527 0.062 0.000 0.341 196 F C -0.658 175.098 175.800 -0.073 0.000 1.130 196 F CA -1.340 56.545 58.000 -0.192 0.000 0.962 196 F CB 0.732 39.445 39.000 -0.479 0.000 1.171 196 F HN 0.342 nan 8.300 nan 0.000 0.436 197 D N 6.803 127.031 120.400 -0.286 0.000 2.280 197 D HA 0.259 4.937 4.640 0.064 0.000 0.236 197 D C -0.640 175.196 176.300 -0.774 0.000 1.082 197 D CA 0.001 53.763 54.000 -0.398 0.000 0.834 197 D CB 2.438 43.200 40.800 -0.064 0.000 1.100 197 D HN 0.641 nan 8.370 nan 0.000 0.486 198 L N 3.191 123.921 121.223 -0.822 0.000 2.272 198 L HA 0.274 4.653 4.340 0.064 0.000 0.284 198 L C -0.978 175.668 176.870 -0.373 0.000 1.045 198 L CA -0.633 53.785 54.840 -0.704 0.000 0.842 198 L CB 0.655 42.328 42.059 -0.642 0.000 1.224 198 L HN 0.058 nan 8.230 nan 0.000 0.430 199 V N 5.267 125.005 119.914 -0.294 0.000 2.270 199 V HA 0.527 4.685 4.120 0.064 0.000 0.263 199 V C 0.784 176.785 176.094 -0.154 0.000 1.066 199 V CA -0.298 61.844 62.300 -0.263 0.000 0.857 199 V CB 0.455 32.092 31.823 -0.310 0.000 1.099 199 V HN 0.812 nan 8.190 nan 0.000 0.476 200 G N 3.345 112.067 108.800 -0.130 0.000 3.016 200 G HA2 0.678 4.676 3.960 0.064 0.000 0.270 200 G HA3 0.678 4.676 3.960 0.064 0.000 0.270 200 G C -0.921 173.999 174.900 0.034 0.000 1.352 200 G CA -0.617 44.459 45.100 -0.039 0.000 1.060 200 G HN 0.480 nan 8.290 nan 0.000 0.538 201 N N -1.037 117.727 118.700 0.107 0.000 3.038 201 N HA 0.251 5.029 4.740 0.064 0.000 0.307 201 N C 0.276 175.950 175.510 0.273 0.000 1.441 201 N CA -0.724 52.446 53.050 0.201 0.000 0.772 201 N CB 1.334 39.935 38.487 0.190 0.000 1.651 201 N HN 0.522 nan 8.380 nan 0.000 0.593 202 N N -1.362 117.514 118.700 0.293 0.000 2.270 202 N HA 0.003 4.781 4.740 0.064 0.000 0.198 202 N C -0.555 175.181 175.510 0.376 0.000 1.117 202 N CA -0.078 53.193 53.050 0.369 0.000 0.845 202 N CB -0.146 38.542 38.487 0.335 0.000 0.980 202 N HN 0.535 nan 8.380 nan 0.000 0.486 203 T N -3.435 111.158 114.554 0.065 0.000 2.900 203 T HA 0.439 4.827 4.350 0.064 0.000 0.295 203 T C -2.546 171.550 174.700 -1.006 0.000 1.044 203 T CA -1.649 60.053 62.100 -0.663 0.000 0.995 203 T CB 3.016 71.379 68.868 -0.841 0.000 1.072 203 T HN -0.248 nan 8.240 nan 0.000 0.473 204 P HA 0.157 nan 4.420 nan 0.000 0.245 204 P C 0.413 177.196 177.300 -0.862 0.000 1.212 204 P CA 0.172 62.364 63.100 -1.514 0.000 0.774 204 P CB -0.083 30.638 31.700 -1.632 0.000 0.999 205 I N -4.506 115.536 120.570 -0.880 0.000 3.174 205 I HA 0.539 4.748 4.170 0.064 0.000 0.313 205 I C -1.280 174.555 176.117 -0.470 0.000 1.155 205 I CA -2.138 58.793 61.300 -0.614 0.000 0.977 205 I CB 1.372 38.981 38.000 -0.652 0.000 1.248 205 I HN -0.249 nan 8.210 nan 0.000 0.453 206 F N 0.976 120.650 119.950 -0.460 0.000 2.572 206 F HA 0.510 5.077 4.527 0.066 0.000 0.342 206 F C 0.415 175.989 175.800 -0.378 0.000 1.064 206 F CA -0.720 57.050 58.000 -0.384 0.000 1.008 206 F CB 1.766 40.664 39.000 -0.170 0.000 1.303 206 F HN 0.392 nan 8.300 nan 0.000 0.492 207 F N 2.135 121.357 119.950 -1.214 0.000 2.325 207 F HA 0.046 4.611 4.527 0.063 0.000 0.299 207 F C 0.661 176.179 175.800 -0.471 0.000 1.090 207 F CA 0.707 58.166 58.000 -0.902 0.000 1.392 207 F CB -0.196 37.900 39.000 -1.507 0.000 1.053 207 F HN 0.130 nan 8.300 nan 0.000 0.521 208 I N -3.325 117.230 120.570 -0.025 0.000 3.002 208 I HA 0.380 4.588 4.170 0.064 0.000 0.310 208 I C 0.398 176.658 176.117 0.239 0.000 1.087 208 I CA -0.844 60.545 61.300 0.148 0.000 1.017 208 I CB 1.890 40.032 38.000 0.235 0.000 1.226 208 I HN -0.161 nan 8.210 nan 0.000 0.443 209 Q N 0.306 120.247 119.800 0.235 0.000 2.259 209 Q HA 0.134 4.513 4.340 0.064 0.000 0.201 209 Q C -0.269 175.898 176.000 0.278 0.000 0.938 209 Q CA 0.622 56.601 55.803 0.295 0.000 0.872 209 Q CB 0.464 29.439 28.738 0.395 0.000 0.971 209 Q HN 0.654 nan 8.270 nan 0.000 0.494 210 D N -1.054 119.483 120.400 0.228 0.000 2.362 210 D HA 0.308 4.987 4.640 0.064 0.000 0.247 210 D C 0.078 176.503 176.300 0.209 0.000 1.050 210 D CA -0.200 53.907 54.000 0.179 0.000 0.839 210 D CB 1.848 42.726 40.800 0.131 0.000 1.283 210 D HN 0.051 nan 8.370 nan 0.000 0.477 211 A N 3.370 126.287 122.820 0.161 0.000 2.024 211 A HA -0.252 4.107 4.320 0.064 0.000 0.220 211 A C 1.805 179.514 177.584 0.208 0.000 1.164 211 A CA 1.769 53.900 52.037 0.156 0.000 0.643 211 A CB -0.794 18.244 19.000 0.064 0.000 0.806 211 A HN 0.818 nan 8.150 nan 0.000 0.451 212 H N -0.032 119.099 119.070 0.102 0.000 2.457 212 H HA -0.002 4.590 4.556 0.061 0.000 0.297 212 H C 1.493 176.897 175.328 0.127 0.000 1.092 212 H CA 1.816 57.916 56.048 0.087 0.000 1.309 212 H CB 0.046 29.834 29.762 0.044 0.000 1.382 212 H HN 0.412 nan 8.280 nan 0.000 0.535 213 K N -0.579 119.933 120.400 0.186 0.000 2.417 213 K HA -0.028 4.331 4.320 0.064 0.000 0.196 213 K C 1.255 177.976 176.600 0.201 0.000 1.023 213 K CA -0.084 56.307 56.287 0.174 0.000 1.122 213 K CB 0.078 32.742 32.500 0.272 0.000 0.850 213 K HN 0.283 nan 8.250 nan 0.000 0.521 214 F N 3.082 123.077 119.950 0.075 0.000 2.069 214 F HA -0.160 4.405 4.527 0.064 0.000 0.298 214 F C -0.991 174.813 175.800 0.007 0.000 1.113 214 F CA 1.493 59.562 58.000 0.114 0.000 1.214 214 F CB -0.493 38.566 39.000 0.098 0.000 0.978 214 F HN 0.026 nan 8.300 nan 0.000 0.474 215 P HA -0.150 nan 4.420 nan 0.000 0.216 215 P C 1.008 177.973 177.300 -0.559 0.000 1.150 215 P CA 1.817 64.654 63.100 -0.438 0.000 0.837 215 P CB -0.097 31.372 31.700 -0.385 0.000 0.786 216 D N -1.225 118.998 120.400 -0.295 0.000 2.084 216 D HA -0.157 4.521 4.640 0.064 0.000 0.196 216 D C 1.843 177.840 176.300 -0.506 0.000 0.985 216 D CA 1.045 54.912 54.000 -0.221 0.000 0.826 216 D CB -0.894 39.953 40.800 0.077 0.000 0.978 216 D HN 0.143 nan 8.370 nan 0.000 0.456 217 F N 1.895 121.418 119.950 -0.713 0.000 2.069 217 F HA -0.244 4.320 4.527 0.062 0.000 0.298 217 F C 2.292 177.693 175.800 -0.666 0.000 1.113 217 F CA 1.229 58.621 58.000 -1.012 0.000 1.214 217 F CB -0.207 38.439 39.000 -0.590 0.000 0.978 217 F HN -0.242 nan 8.300 nan 0.000 0.474 218 V N 0.330 119.805 119.914 -0.732 0.000 2.343 218 V HA -0.346 3.812 4.120 0.064 0.000 0.247 218 V C 2.271 178.134 176.094 -0.384 0.000 1.051 218 V CA 2.458 64.376 62.300 -0.638 0.000 1.036 218 V CB -1.134 30.335 31.823 -0.589 0.000 0.654 218 V HN 0.478 nan 8.190 nan 0.000 0.451 219 H N -0.093 118.745 119.070 -0.387 0.000 2.352 219 H HA -0.162 4.432 4.556 0.064 0.000 0.299 219 H C 2.342 177.518 175.328 -0.255 0.000 1.097 219 H CA 1.101 57.001 56.048 -0.247 0.000 1.311 219 H CB -0.016 29.650 29.762 -0.160 0.000 1.377 219 H HN 0.490 nan 8.280 nan 0.000 0.504 220 A N 0.446 123.095 122.820 -0.286 0.000 1.902 220 A HA -0.120 4.239 4.320 0.064 0.000 0.217 220 A C 2.519 179.954 177.584 -0.248 0.000 1.181 220 A CA 1.479 53.345 52.037 -0.285 0.000 0.623 220 A CB -0.729 17.969 19.000 -0.504 0.000 0.818 220 A HN 0.307 nan 8.150 nan 0.000 0.443 221 V N -0.178 119.453 119.914 -0.472 0.000 2.788 221 V HA -0.006 4.153 4.120 0.064 0.000 0.251 221 V C 0.960 177.026 176.094 -0.047 0.000 1.068 221 V CA 0.809 62.918 62.300 -0.318 0.000 1.090 221 V CB -0.476 30.970 31.823 -0.629 0.000 0.710 221 V HN 0.354 nan 8.190 nan 0.000 0.467 222 K N 1.057 121.393 120.400 -0.106 0.000 2.156 222 K HA 0.206 4.564 4.320 0.064 0.000 0.242 222 K C -2.289 174.273 176.600 -0.064 0.000 1.033 222 K CA -1.557 54.686 56.287 -0.073 0.000 0.878 222 K CB -0.522 31.928 32.500 -0.083 0.000 1.057 222 K HN 0.158 nan 8.250 nan 0.000 0.505 223 P HA -0.030 nan 4.420 nan 0.000 0.262 223 P C -0.591 176.655 177.300 -0.089 0.000 1.182 223 P CA 0.465 63.440 63.100 -0.209 0.000 0.761 223 P CB 0.249 31.835 31.700 -0.191 0.000 0.795 224 E N 5.773 125.966 120.200 -0.012 0.000 2.413 224 E HA -0.040 4.349 4.350 0.064 0.000 0.263 224 E C -1.185 175.487 176.600 0.120 0.000 1.015 224 E CA -1.173 55.325 56.400 0.163 0.000 0.916 224 E CB 0.061 29.985 29.700 0.374 0.000 0.947 224 E HN 0.431 nan 8.360 nan 0.000 0.440 225 P HA -0.213 nan 4.420 nan 0.000 0.221 225 P C 0.998 178.361 177.300 0.105 0.000 1.150 225 P CA 1.441 64.578 63.100 0.062 0.000 0.800 225 P CB 0.017 31.729 31.700 0.020 0.000 0.787 226 H N -0.803 118.298 119.070 0.051 0.000 2.307 226 H HA -0.073 4.521 4.556 0.064 0.000 0.303 226 H C 1.494 176.916 175.328 0.157 0.000 1.073 226 H CA 1.423 57.490 56.048 0.031 0.000 1.338 226 H CB -1.386 28.325 29.762 -0.084 0.000 1.389 226 H HN 0.287 nan 8.280 nan 0.000 0.503 227 W N 0.249 121.114 121.300 -0.724 0.000 3.008 227 W HA 0.698 5.396 4.660 0.063 0.000 0.355 227 W C 0.394 176.736 176.519 -0.295 0.000 1.095 227 W CA -1.255 55.835 57.345 -0.424 0.000 1.738 227 W CB -0.846 28.345 29.460 -0.448 0.000 1.091 227 W HN 0.464 nan 8.180 nan 0.000 0.574 228 A N 1.323 124.121 122.820 -0.037 0.000 2.519 228 A HA -0.132 4.227 4.320 0.064 0.000 0.297 228 A C -0.455 176.911 177.584 -0.363 0.000 1.472 228 A CA 1.436 53.379 52.037 -0.157 0.000 0.739 228 A CB -2.380 16.551 19.000 -0.115 0.000 1.096 228 A HN 0.489 nan 8.150 nan 0.000 0.414 229 I N 0.594 120.822 120.570 -0.570 0.000 2.722 229 I HA 0.540 4.748 4.170 0.064 0.000 0.295 229 I C -2.537 173.280 176.117 -0.500 0.000 1.161 229 I CA -2.310 58.543 61.300 -0.746 0.000 1.032 229 I CB 3.063 40.126 38.000 -1.561 0.000 1.244 229 I HN 0.223 nan 8.210 nan 0.000 0.421 230 P HA 0.333 nan 4.420 nan 0.000 0.289 230 P C -1.585 175.557 177.300 -0.264 0.000 1.293 230 P CA -0.849 62.036 63.100 -0.358 0.000 0.897 230 P CB 1.514 33.081 31.700 -0.221 0.000 1.166 231 Q N 0.612 120.303 119.800 -0.182 0.000 2.261 231 Q HA 0.488 4.866 4.340 0.064 0.000 0.252 231 Q C 1.043 177.009 176.000 -0.057 0.000 0.915 231 Q CA 0.883 56.616 55.803 -0.116 0.000 0.915 231 Q CB -0.274 28.406 28.738 -0.097 0.000 1.204 231 Q HN 0.811 nan 8.270 nan 0.000 0.421 232 G N 3.189 111.967 108.800 -0.038 0.000 2.283 232 G HA2 -0.299 3.699 3.960 0.064 0.000 0.280 232 G HA3 -0.299 3.699 3.960 0.064 0.000 0.280 232 G C -0.439 174.481 174.900 0.033 0.000 1.029 232 G CA 0.704 45.806 45.100 0.005 0.000 0.840 232 G HN 0.544 nan 8.290 nan 0.000 0.505 233 Q N -1.316 118.492 119.800 0.012 0.000 2.309 233 Q HA 0.547 4.926 4.340 0.064 0.000 0.273 233 Q C 0.712 176.735 176.000 0.039 0.000 1.040 233 Q CA -0.141 55.696 55.803 0.056 0.000 0.834 233 Q CB 1.774 30.586 28.738 0.124 0.000 1.345 233 Q HN 0.453 nan 8.270 nan 0.000 0.414 234 S N -0.615 115.014 115.700 -0.120 0.000 2.556 234 S HA 0.217 4.726 4.470 0.064 0.000 0.216 234 S C 0.893 175.448 174.600 -0.074 0.000 0.970 234 S CA 0.033 57.924 58.200 -0.514 0.000 0.912 234 S CB 0.410 62.775 63.200 -1.393 0.000 0.790 234 S HN 0.594 nan 8.310 nan 0.000 0.504 235 A N 2.396 125.358 122.820 0.237 0.000 3.048 235 A HA 0.516 4.874 4.320 0.064 0.000 0.264 235 A C 0.095 177.911 177.584 0.386 0.000 1.796 235 A CA -0.535 51.715 52.037 0.355 0.000 1.445 235 A CB -1.304 17.828 19.000 0.219 0.000 1.074 235 A HN 0.895 nan 8.150 nan 0.000 0.621 236 H N -3.567 115.695 119.070 0.319 0.000 3.014 236 H HA 0.493 5.087 4.556 0.063 0.000 0.337 236 H C -0.254 175.265 175.328 0.318 0.000 1.320 236 H CA -0.759 55.440 56.048 0.252 0.000 1.128 236 H CB 0.300 30.175 29.762 0.189 0.000 1.862 236 H HN 0.076 nan 8.280 nan 0.000 0.536 237 D N 0.270 120.845 120.400 0.291 0.000 2.116 237 D HA -0.206 4.472 4.640 0.064 0.000 0.193 237 D C 2.129 178.493 176.300 0.107 0.000 0.998 237 D CA 3.133 57.238 54.000 0.175 0.000 0.836 237 D CB -0.309 40.569 40.800 0.130 0.000 0.951 237 D HN 0.787 nan 8.370 nan 0.000 0.449 238 T N -1.767 112.852 114.554 0.108 0.000 2.867 238 T HA -0.183 4.205 4.350 0.064 0.000 0.268 238 T C 1.891 176.529 174.700 -0.103 0.000 1.057 238 T CA 0.605 62.727 62.100 0.038 0.000 1.136 238 T CB -0.652 68.288 68.868 0.119 0.000 0.874 238 T HN 0.167 nan 8.240 nan 0.000 0.466 239 F N 0.725 120.365 119.950 -0.516 0.000 2.113 239 F HA 0.104 4.668 4.527 0.063 0.000 0.297 239 F C 1.823 177.350 175.800 -0.456 0.000 1.103 239 F CA 0.715 58.340 58.000 -0.625 0.000 1.248 239 F CB -0.520 37.925 39.000 -0.924 0.000 0.999 239 F HN 0.140 nan 8.300 nan 0.000 0.475 240 W N 0.644 121.873 121.300 -0.117 0.000 2.425 240 W HA -0.096 4.603 4.660 0.066 0.000 0.277 240 W C 2.285 178.721 176.519 -0.138 0.000 1.231 240 W CA 1.037 58.301 57.345 -0.135 0.000 1.248 240 W CB -0.630 28.834 29.460 0.006 0.000 1.117 240 W HN 0.078 nan 8.180 nan 0.000 0.568 241 D N -0.572 119.859 120.400 0.052 0.000 2.078 241 D HA -0.293 4.385 4.640 0.064 0.000 0.193 241 D C 1.899 178.194 176.300 -0.010 0.000 0.990 241 D CA 1.534 55.553 54.000 0.030 0.000 0.827 241 D CB -0.651 40.177 40.800 0.048 0.000 0.975 241 D HN 0.180 nan 8.370 nan 0.000 0.451 242 Y N 0.497 120.689 120.300 -0.180 0.000 2.081 242 Y HA -0.244 4.344 4.550 0.064 0.000 0.280 242 Y C 2.330 178.091 175.900 -0.232 0.000 1.163 242 Y CA 1.726 59.705 58.100 -0.200 0.000 1.135 242 Y CB -0.478 37.826 38.460 -0.260 0.000 0.970 242 Y HN -0.101 nan 8.280 nan 0.000 0.498 243 V N 0.108 119.884 119.914 -0.230 0.000 2.332 243 V HA -0.356 3.803 4.120 0.064 0.000 0.248 243 V C 2.593 178.614 176.094 -0.122 0.000 1.055 243 V CA 2.283 64.433 62.300 -0.250 0.000 1.038 243 V CB -1.171 30.378 31.823 -0.456 0.000 0.651 243 V HN 0.685 nan 8.190 nan 0.000 0.450 244 S N -0.378 115.296 115.700 -0.043 0.000 2.423 244 S HA -0.064 4.444 4.470 0.064 0.000 0.231 244 S C 1.733 176.293 174.600 -0.067 0.000 1.014 244 S CA 1.351 59.553 58.200 0.002 0.000 0.965 244 S CB -0.436 62.797 63.200 0.054 0.000 0.785 244 S HN 0.556 nan 8.310 nan 0.000 0.495 245 L N -0.003 121.133 121.223 -0.145 0.000 2.585 245 L HA 0.297 4.676 4.340 0.064 0.000 0.226 245 L C 0.550 177.245 176.870 -0.291 0.000 1.113 245 L CA 0.189 54.918 54.840 -0.185 0.000 0.876 245 L CB 0.019 41.973 42.059 -0.174 0.000 1.072 245 L HN 0.261 nan 8.230 nan 0.000 0.468 246 Q N 0.173 119.750 119.800 -0.372 0.000 3.064 246 Q HA 0.230 4.609 4.340 0.064 0.000 0.258 246 Q C -1.927 173.840 176.000 -0.388 0.000 0.972 246 Q CA -1.522 54.018 55.803 -0.438 0.000 0.761 246 Q CB 1.422 29.788 28.738 -0.620 0.000 1.281 246 Q HN -0.011 nan 8.270 nan 0.000 0.455 247 P HA -0.242 nan 4.420 nan 0.000 0.220 247 P C 1.062 178.047 177.300 -0.525 0.000 1.144 247 P CA 1.245 64.073 63.100 -0.453 0.000 0.800 247 P CB 0.241 31.649 31.700 -0.487 0.000 0.772 248 E N 0.576 120.341 120.200 -0.725 0.000 2.209 248 E HA -0.197 4.191 4.350 0.064 0.000 0.196 248 E C 1.516 178.076 176.600 -0.066 0.000 0.993 248 E CA 1.923 58.175 56.400 -0.246 0.000 0.819 248 E CB -1.309 28.318 29.700 -0.122 0.000 0.745 248 E HN 0.304 nan 8.360 nan 0.000 0.477 249 T N -0.622 113.887 114.554 -0.075 0.000 3.035 249 T HA 0.005 4.393 4.350 0.064 0.000 0.268 249 T C 1.972 176.733 174.700 0.103 0.000 1.109 249 T CA 0.520 62.637 62.100 0.030 0.000 1.119 249 T CB -0.349 68.550 68.868 0.052 0.000 0.900 249 T HN 0.155 nan 8.240 nan 0.000 0.503 250 L N 0.159 121.449 121.223 0.112 0.000 2.079 250 L HA -0.123 4.256 4.340 0.064 0.000 0.210 250 L C 2.855 179.897 176.870 0.287 0.000 1.081 250 L CA 1.963 56.941 54.840 0.231 0.000 0.752 250 L CB -0.806 41.401 42.059 0.247 0.000 0.896 250 L HN 0.487 nan 8.230 nan 0.000 0.433 251 H N -0.013 119.115 119.070 0.097 0.000 2.293 251 H HA -0.214 4.380 4.556 0.064 0.000 0.300 251 H C 2.178 177.522 175.328 0.027 0.000 1.082 251 H CA 1.832 57.936 56.048 0.092 0.000 1.308 251 H CB 0.188 29.971 29.762 0.034 0.000 1.375 251 H HN 0.371 nan 8.280 nan 0.000 0.495 252 N N -0.115 118.440 118.700 -0.241 0.000 2.309 252 N HA -0.124 4.655 4.740 0.064 0.000 0.182 252 N C 1.903 177.248 175.510 -0.275 0.000 1.018 252 N CA 0.694 53.375 53.050 -0.614 0.000 0.876 252 N CB 0.282 37.973 38.487 -1.327 0.000 0.972 252 N HN 0.134 nan 8.380 nan 0.000 0.434 253 V N 1.523 121.493 119.914 0.094 0.000 2.358 253 V HA -0.219 3.939 4.120 0.064 0.000 0.246 253 V C 2.483 178.713 176.094 0.226 0.000 1.047 253 V CA 1.127 63.615 62.300 0.314 0.000 1.035 253 V CB -0.328 31.734 31.823 0.398 0.000 0.658 253 V HN 0.385 nan 8.190 nan 0.000 0.452 254 M N -1.450 118.319 119.600 0.282 0.000 2.082 254 M HA -0.225 4.293 4.480 0.064 0.000 0.258 254 M C 2.070 178.379 176.300 0.015 0.000 1.069 254 M CA 1.960 57.428 55.300 0.280 0.000 1.102 254 M CB -1.255 31.536 32.600 0.318 0.000 1.336 254 M HN 0.468 nan 8.290 nan 0.000 0.404 255 W N 0.345 121.388 121.300 -0.429 0.000 2.358 255 W HA -0.093 4.607 4.660 0.066 0.000 0.303 255 W C 2.791 179.239 176.519 -0.117 0.000 1.208 255 W CA 1.853 58.925 57.345 -0.454 0.000 1.274 255 W CB -1.015 28.093 29.460 -0.587 0.000 1.138 255 W HN 0.299 nan 8.180 nan 0.000 0.515 256 A N -0.519 122.382 122.820 0.135 0.000 1.902 256 A HA -0.210 4.148 4.320 0.064 0.000 0.217 256 A C 1.944 179.581 177.584 0.089 0.000 1.181 256 A CA 1.890 54.008 52.037 0.135 0.000 0.623 256 A CB -0.640 18.471 19.000 0.185 0.000 0.818 256 A HN 0.114 nan 8.150 nan 0.000 0.443 257 M N 0.725 120.337 119.600 0.020 0.000 2.419 257 M HA 0.007 4.526 4.480 0.064 0.000 0.264 257 M C 1.493 177.834 176.300 0.068 0.000 1.082 257 M CA 0.860 56.114 55.300 -0.078 0.000 1.119 257 M CB -1.467 30.851 32.600 -0.470 0.000 1.398 257 M HN 0.556 nan 8.290 nan 0.000 0.453 258 S N 0.302 116.104 115.700 0.171 0.000 2.641 258 S HA 0.084 4.592 4.470 0.064 0.000 0.261 258 S C 0.717 175.452 174.600 0.224 0.000 1.257 258 S CA -0.457 57.885 58.200 0.237 0.000 0.983 258 S CB 0.801 64.190 63.200 0.314 0.000 0.990 258 S HN 0.193 nan 8.310 nan 0.000 0.572 259 D N 0.110 120.662 120.400 0.253 0.000 2.378 259 D HA 0.026 4.705 4.640 0.064 0.000 0.222 259 D C 1.815 178.268 176.300 0.256 0.000 0.980 259 D CA 0.307 54.479 54.000 0.287 0.000 0.907 259 D CB -0.162 40.877 40.800 0.398 0.000 0.899 259 D HN 0.363 nan 8.370 nan 0.000 0.527 260 R N 0.236 120.881 120.500 0.242 0.000 2.152 260 R HA -0.041 4.338 4.340 0.064 0.000 0.232 260 R C 2.079 178.538 176.300 0.265 0.000 1.117 260 R CA 0.938 57.203 56.100 0.277 0.000 0.981 260 R CB -0.805 29.725 30.300 0.383 0.000 0.870 260 R HN 0.192 nan 8.270 nan 0.000 0.451 261 G N 1.253 110.194 108.800 0.236 0.000 2.598 261 G HA2 -0.037 3.961 3.960 0.064 0.000 0.215 261 G HA3 -0.037 3.961 3.960 0.064 0.000 0.215 261 G C 0.987 176.029 174.900 0.236 0.000 1.131 261 G CA 0.151 45.380 45.100 0.215 0.000 0.785 261 G HN 0.411 nan 8.290 nan 0.000 0.539 262 I N -1.945 118.777 120.570 0.254 0.000 2.871 262 I HA 0.363 4.571 4.170 0.064 0.000 0.284 262 I C -2.885 173.392 176.117 0.267 0.000 1.390 262 I CA -2.668 58.792 61.300 0.268 0.000 0.958 262 I CB 1.917 40.081 38.000 0.274 0.000 1.618 262 I HN -0.259 nan 8.210 nan 0.000 0.595 263 P HA 0.097 nan 4.420 nan 0.000 0.272 263 P C 0.440 177.886 177.300 0.242 0.000 1.223 263 P CA -0.206 63.006 63.100 0.187 0.000 0.784 263 P CB 1.391 33.133 31.700 0.070 0.000 0.923 264 R N 1.741 122.364 120.500 0.205 0.000 2.115 264 R HA 0.041 4.420 4.340 0.064 0.000 0.226 264 R C 0.525 176.977 176.300 0.253 0.000 1.100 264 R CA 1.377 57.646 56.100 0.282 0.000 0.980 264 R CB -0.439 30.000 30.300 0.232 0.000 0.875 264 R HN 0.559 nan 8.270 nan 0.000 0.445 265 S N -2.923 112.725 115.700 -0.087 0.000 2.587 265 S HA 0.235 4.743 4.470 0.064 0.000 0.269 265 S C -0.459 173.832 174.600 -0.515 0.000 1.154 265 S CA -0.847 57.138 58.200 -0.357 0.000 0.824 265 S CB 0.131 63.255 63.200 -0.126 0.000 1.118 265 S HN 0.094 nan 8.310 nan 0.000 0.462 266 Y N 1.843 121.789 120.300 -0.590 0.000 2.421 266 Y HA 0.147 4.736 4.550 0.065 0.000 0.292 266 Y C 2.313 177.849 175.900 -0.607 0.000 1.136 266 Y CA 0.859 58.470 58.100 -0.816 0.000 1.255 266 Y CB -0.255 37.366 38.460 -1.400 0.000 0.991 266 Y HN 0.547 nan 8.280 nan 0.000 0.552 267 R N -0.590 119.784 120.500 -0.210 0.000 2.235 267 R HA -0.020 4.358 4.340 0.064 0.000 0.213 267 R C 0.981 177.248 176.300 -0.056 0.000 1.059 267 R CA 1.471 57.507 56.100 -0.106 0.000 0.997 267 R CB -0.335 29.896 30.300 -0.115 0.000 0.884 267 R HN 0.283 nan 8.270 nan 0.000 0.462 268 T N -1.544 112.987 114.554 -0.038 0.000 3.313 268 T HA 0.384 4.773 4.350 0.064 0.000 0.263 268 T C 0.099 174.837 174.700 0.064 0.000 0.983 268 T CA -0.709 61.397 62.100 0.010 0.000 0.963 268 T CB -0.119 68.741 68.868 -0.014 0.000 1.141 268 T HN 0.083 nan 8.240 nan 0.000 0.526 269 M N -1.216 118.462 119.600 0.130 0.000 2.593 269 M HA 0.735 5.253 4.480 0.064 0.000 0.290 269 M C -1.164 175.308 176.300 0.287 0.000 1.244 269 M CA -0.887 54.529 55.300 0.193 0.000 0.857 269 M CB 2.157 34.862 32.600 0.175 0.000 1.738 269 M HN -0.132 nan 8.290 nan 0.000 0.461 270 E N 0.462 120.828 120.200 0.276 0.000 2.342 270 E HA 0.672 5.061 4.350 0.064 0.000 0.257 270 E C -0.276 176.389 176.600 0.109 0.000 1.150 270 E CA -0.593 55.903 56.400 0.159 0.000 0.926 270 E CB 1.563 31.289 29.700 0.043 0.000 1.074 270 E HN 0.860 nan 8.360 nan 0.000 0.449 271 G N 0.680 109.369 108.800 -0.186 0.000 2.571 271 G HA2 0.619 4.617 3.960 0.064 0.000 0.304 271 G HA3 0.619 4.617 3.960 0.064 0.000 0.304 271 G C -1.513 173.019 174.900 -0.613 0.000 1.314 271 G CA -0.476 44.518 45.100 -0.176 0.000 0.975 271 G HN 0.276 nan 8.290 nan 0.000 0.485 272 F N -0.121 119.770 119.950 -0.098 0.000 2.591 272 F HA 0.513 5.078 4.527 0.063 0.000 0.309 272 F C 1.084 176.797 175.800 -0.145 0.000 1.098 272 F CA -0.533 57.334 58.000 -0.222 0.000 0.937 272 F CB 2.622 41.433 39.000 -0.315 0.000 1.250 272 F HN 0.601 nan 8.300 nan 0.000 0.447 273 G N 0.858 109.724 108.800 0.110 0.000 2.712 273 G HA2 0.145 4.143 3.960 0.064 0.000 0.212 273 G HA3 0.145 4.143 3.960 0.064 0.000 0.212 273 G C 1.180 176.139 174.900 0.099 0.000 1.142 273 G CA 0.816 46.039 45.100 0.205 0.000 0.789 273 G HN 0.797 nan 8.290 nan 0.000 0.535 274 I N -1.082 119.463 120.570 -0.042 0.000 4.624 274 I HA -0.321 3.888 4.170 0.064 0.000 0.049 274 I C 0.554 176.517 176.117 -0.258 0.000 0.621 274 I CA 1.511 62.655 61.300 -0.260 0.000 0.836 274 I CB -1.240 36.501 38.000 -0.432 0.000 0.765 274 I HN 0.263 nan 8.210 nan 0.000 0.159 275 H N 2.242 121.298 119.070 -0.023 0.000 2.679 275 H HA 0.229 4.824 4.556 0.066 0.000 0.369 275 H C 0.086 175.314 175.328 -0.166 0.000 1.178 275 H CA 0.560 56.498 56.048 -0.184 0.000 1.419 275 H CB 0.274 29.752 29.762 -0.474 0.000 1.458 275 H HN 0.198 nan 8.280 nan 0.000 0.605 276 T N 3.653 118.149 114.554 -0.096 0.000 2.761 276 T HA 0.249 4.637 4.350 0.064 0.000 0.296 276 T C 0.249 174.867 174.700 -0.137 0.000 0.934 276 T CA -0.029 62.010 62.100 -0.101 0.000 1.091 276 T CB -0.146 68.620 68.868 -0.170 0.000 0.896 276 T HN 0.242 nan 8.240 nan 0.000 0.515 277 F N 1.360 121.245 119.950 -0.108 0.000 2.629 277 F HA 0.674 5.238 4.527 0.062 0.000 0.386 277 F C 1.048 176.799 175.800 -0.082 0.000 1.135 277 F CA -1.313 56.653 58.000 -0.058 0.000 1.116 277 F CB 1.326 40.265 39.000 -0.102 0.000 1.426 277 F HN 0.182 nan 8.300 nan 0.000 0.501 278 R N 0.399 120.954 120.500 0.091 0.000 2.750 278 R HA 0.654 5.032 4.340 0.064 0.000 0.281 278 R C -1.721 174.467 176.300 -0.186 0.000 0.972 278 R CA -0.897 55.128 56.100 -0.126 0.000 0.912 278 R CB 2.107 32.276 30.300 -0.218 0.000 1.187 278 R HN 0.428 nan 8.270 nan 0.000 0.464 279 L N 3.581 124.648 121.223 -0.259 0.000 2.322 279 L HA 0.540 4.918 4.340 0.064 0.000 0.281 279 L C -0.655 176.067 176.870 -0.246 0.000 1.014 279 L CA -0.936 53.763 54.840 -0.234 0.000 0.815 279 L CB 1.555 43.483 42.059 -0.218 0.000 1.247 279 L HN 0.377 nan 8.230 nan 0.000 0.421 280 I N 3.132 123.579 120.570 -0.205 0.000 2.418 280 I HA 0.271 4.480 4.170 0.064 0.000 0.287 280 I C -0.142 175.892 176.117 -0.138 0.000 1.008 280 I CA -0.674 60.508 61.300 -0.198 0.000 1.104 280 I CB 1.363 39.254 38.000 -0.183 0.000 1.264 280 I HN 0.621 nan 8.210 nan 0.000 0.438 281 N N 5.071 123.702 118.700 -0.116 0.000 2.476 281 N HA 0.373 5.152 4.740 0.064 0.000 0.287 281 N C 0.863 176.334 175.510 -0.065 0.000 1.262 281 N CA -0.342 52.659 53.050 -0.081 0.000 0.980 281 N CB 0.484 38.931 38.487 -0.067 0.000 1.163 281 N HN 0.503 nan 8.380 nan 0.000 0.592 282 A N -0.748 122.043 122.820 -0.049 0.000 2.015 282 A HA -0.090 4.268 4.320 0.064 0.000 0.219 282 A C 1.625 179.189 177.584 -0.032 0.000 1.163 282 A CA 1.248 53.262 52.037 -0.039 0.000 0.646 282 A CB -0.776 18.206 19.000 -0.028 0.000 0.806 282 A HN 0.727 nan 8.150 nan 0.000 0.448 283 E N -1.432 118.750 120.200 -0.031 0.000 2.427 283 E HA 0.221 4.609 4.350 0.064 0.000 0.196 283 E C 1.353 177.944 176.600 -0.016 0.000 1.028 283 E CA 0.901 57.288 56.400 -0.022 0.000 0.864 283 E CB -0.116 29.571 29.700 -0.021 0.000 0.813 283 E HN 0.753 nan 8.360 nan 0.000 0.514 284 G N 0.698 109.485 108.800 -0.021 0.000 2.176 284 G HA2 -0.329 3.669 3.960 0.064 0.000 0.232 284 G HA3 -0.329 3.669 3.960 0.064 0.000 0.232 284 G C 0.321 175.235 174.900 0.023 0.000 0.986 284 G CA 0.169 45.275 45.100 0.010 0.000 0.643 284 G HN 0.267 nan 8.290 nan 0.000 0.522 285 K N 1.027 121.405 120.400 -0.038 0.000 2.368 285 K HA 0.623 4.981 4.320 0.064 0.000 0.282 285 K C 0.560 177.026 176.600 -0.224 0.000 1.035 285 K CA 0.299 56.535 56.287 -0.085 0.000 0.973 285 K CB 0.499 32.952 32.500 -0.078 0.000 0.957 285 K HN 0.590 nan 8.250 nan 0.000 0.474 286 A N 3.462 126.041 122.820 -0.401 0.000 2.292 286 A HA 0.410 4.769 4.320 0.064 0.000 0.319 286 A C -0.782 176.486 177.584 -0.526 0.000 1.206 286 A CA -0.524 51.115 52.037 -0.663 0.000 0.835 286 A CB 1.162 19.346 19.000 -1.360 0.000 1.164 286 A HN 0.715 nan 8.150 nan 0.000 0.505 287 T N 2.506 116.789 114.554 -0.451 0.000 2.824 287 T HA 0.529 4.918 4.350 0.064 0.000 0.282 287 T C -0.630 173.856 174.700 -0.357 0.000 0.993 287 T CA -0.078 61.814 62.100 -0.347 0.000 0.967 287 T CB 0.396 69.152 68.868 -0.187 0.000 0.960 287 T HN 0.342 nan 8.240 nan 0.000 0.441 288 F N 2.144 122.005 119.950 -0.148 0.000 2.471 288 F HA 0.513 5.078 4.527 0.063 0.000 0.353 288 F C 0.569 176.254 175.800 -0.191 0.000 1.113 288 F CA -0.412 57.493 58.000 -0.158 0.000 1.262 288 F CB 0.673 39.600 39.000 -0.122 0.000 1.146 288 F HN 0.186 nan 8.300 nan 0.000 0.578 289 V N 4.752 124.624 119.914 -0.070 0.000 2.841 289 V HA 0.601 4.760 4.120 0.064 0.000 0.310 289 V C -1.003 174.867 176.094 -0.373 0.000 1.090 289 V CA -0.774 61.341 62.300 -0.308 0.000 0.930 289 V CB 2.107 33.538 31.823 -0.654 0.000 1.014 289 V HN 0.762 nan 8.190 nan 0.000 0.425 290 R N 4.929 125.260 120.500 -0.281 0.000 2.534 290 R HA 0.537 4.915 4.340 0.064 0.000 0.301 290 R C -1.637 174.610 176.300 -0.088 0.000 0.961 290 R CA -0.473 55.508 56.100 -0.198 0.000 0.871 290 R CB 1.953 32.255 30.300 0.003 0.000 1.170 290 R HN 0.585 nan 8.270 nan 0.000 0.446 291 F N 2.582 122.575 119.950 0.072 0.000 2.396 291 F HA 0.331 4.896 4.527 0.063 0.000 0.343 291 F C 1.033 176.773 175.800 -0.099 0.000 1.104 291 F CA -0.026 57.982 58.000 0.012 0.000 1.161 291 F CB 0.734 39.633 39.000 -0.167 0.000 1.146 291 F HN 0.214 nan 8.300 nan 0.000 0.522 292 H N 1.160 120.235 119.070 0.008 0.000 2.690 292 H HA 0.277 4.872 4.556 0.064 0.000 0.368 292 H C -1.522 173.579 175.328 -0.378 0.000 1.150 292 H CA -0.968 54.975 56.048 -0.175 0.000 1.174 292 H CB 1.994 31.746 29.762 -0.017 0.000 1.684 292 H HN 0.670 nan 8.280 nan 0.000 0.538 293 W N 2.210 123.403 121.300 -0.177 0.000 2.538 293 W HA 0.316 5.013 4.660 0.062 0.000 0.322 293 W C -0.168 176.380 176.519 0.048 0.000 1.028 293 W CA -0.757 56.537 57.345 -0.085 0.000 1.228 293 W CB 1.745 31.002 29.460 -0.338 0.000 1.356 293 W HN 0.260 nan 8.180 nan 0.000 0.452 294 K N 5.617 126.286 120.400 0.449 0.000 2.240 294 K HA 0.390 4.748 4.320 0.064 0.000 0.271 294 K C -2.394 174.428 176.600 0.370 0.000 1.018 294 K CA -1.910 54.577 56.287 0.332 0.000 0.874 294 K CB 1.430 34.077 32.500 0.246 0.000 1.098 294 K HN 0.034 nan 8.250 nan 0.000 0.458 295 P HA 0.051 nan 4.420 nan 0.000 0.276 295 P C 0.261 177.567 177.300 0.010 0.000 1.264 295 P CA -0.038 63.132 63.100 0.117 0.000 0.769 295 P CB 0.680 32.468 31.700 0.147 0.000 0.840 296 L N 2.559 123.727 121.223 -0.093 0.000 2.552 296 L HA -0.019 4.359 4.340 0.064 0.000 0.227 296 L C 2.083 178.930 176.870 -0.039 0.000 1.146 296 L CA 0.796 55.620 54.840 -0.027 0.000 0.858 296 L CB -0.499 41.554 42.059 -0.011 0.000 0.969 296 L HN 0.338 nan 8.230 nan 0.000 0.451 297 A N 0.010 122.782 122.820 -0.079 0.000 2.251 297 A HA 0.441 4.800 4.320 0.064 0.000 0.209 297 A C 1.249 178.830 177.584 -0.006 0.000 1.187 297 A CA 0.600 52.609 52.037 -0.047 0.000 0.823 297 A CB -0.299 18.656 19.000 -0.074 0.000 0.846 297 A HN 0.437 nan 8.150 nan 0.000 0.486 298 G N -0.526 108.285 108.800 0.018 0.000 2.756 298 G HA2 -0.136 3.862 3.960 0.064 0.000 0.678 298 G HA3 -0.136 3.862 3.960 0.064 0.000 0.678 298 G C -0.647 174.282 174.900 0.048 0.000 1.349 298 G CA -0.455 44.674 45.100 0.048 0.000 0.847 298 G HN 0.451 nan 8.290 nan 0.000 0.548 299 K N 0.209 120.643 120.400 0.057 0.000 2.211 299 K HA 0.704 5.063 4.320 0.064 0.000 0.275 299 K C 0.196 176.789 176.600 -0.011 0.000 1.024 299 K CA 0.227 56.533 56.287 0.031 0.000 0.887 299 K CB 1.727 34.237 32.500 0.016 0.000 1.084 299 K HN 1.405 nan 8.250 nan 0.000 0.463 300 A N 1.868 124.671 122.820 -0.029 0.000 2.540 300 A HA 0.600 4.959 4.320 0.064 0.000 0.297 300 A C -1.102 176.529 177.584 0.079 0.000 1.056 300 A CA -0.659 51.309 52.037 -0.114 0.000 0.700 300 A CB 1.720 20.464 19.000 -0.427 0.000 1.280 300 A HN 0.516 nan 8.150 nan 0.000 0.398 301 S N 0.564 116.477 115.700 0.354 0.000 2.632 301 S HA 0.760 5.268 4.470 0.064 0.000 0.289 301 S C -0.059 174.865 174.600 0.540 0.000 1.115 301 S CA -0.598 57.846 58.200 0.406 0.000 0.889 301 S CB 1.208 64.634 63.200 0.376 0.000 1.116 301 S HN 0.647 nan 8.310 nan 0.000 0.486 302 L N 1.213 122.642 121.223 0.345 0.000 2.600 302 L HA 0.587 4.966 4.340 0.064 0.000 0.221 302 L C -0.006 176.983 176.870 0.198 0.000 1.197 302 L CA -0.780 54.184 54.840 0.206 0.000 0.838 302 L CB 0.161 42.258 42.059 0.064 0.000 1.474 302 L HN 0.498 nan 8.230 nan 0.000 0.514 303 V N -3.394 116.531 119.914 0.019 0.000 2.815 303 V HA 0.192 4.351 4.120 0.064 0.000 0.314 303 V C 0.647 176.701 176.094 -0.067 0.000 1.064 303 V CA -0.831 61.457 62.300 -0.019 0.000 0.952 303 V CB 1.643 33.414 31.823 -0.087 0.000 1.020 303 V HN 0.927 nan 8.190 nan 0.000 0.439 304 W N 1.988 123.166 121.300 -0.203 0.000 2.302 304 W HA -0.261 4.437 4.660 0.064 0.000 0.320 304 W C 1.811 178.176 176.519 -0.256 0.000 1.241 304 W CA 2.700 59.917 57.345 -0.213 0.000 1.264 304 W CB -0.109 29.215 29.460 -0.227 0.000 1.154 304 W HN 1.022 nan 8.180 nan 0.000 0.483 305 D N 0.114 120.228 120.400 -0.476 0.000 2.123 305 D HA -0.297 4.382 4.640 0.064 0.000 0.196 305 D C 2.136 178.070 176.300 -0.609 0.000 0.992 305 D CA 2.232 55.911 54.000 -0.534 0.000 0.833 305 D CB -0.523 40.207 40.800 -0.117 0.000 0.954 305 D HN 0.386 nan 8.370 nan 0.000 0.455 306 E N -0.390 119.327 120.200 -0.805 0.000 2.031 306 E HA -0.217 4.171 4.350 0.064 0.000 0.193 306 E C 2.053 178.315 176.600 -0.564 0.000 0.994 306 E CA 1.108 56.981 56.400 -0.879 0.000 0.800 306 E CB -0.260 28.838 29.700 -1.003 0.000 0.752 306 E HN 0.310 nan 8.360 nan 0.000 0.447 307 A N 1.191 123.714 122.820 -0.495 0.000 1.883 307 A HA -0.286 4.072 4.320 0.064 0.000 0.217 307 A C 2.202 179.476 177.584 -0.517 0.000 1.186 307 A CA 1.946 53.746 52.037 -0.395 0.000 0.624 307 A CB -0.812 18.081 19.000 -0.179 0.000 0.822 307 A HN 0.464 nan 8.150 nan 0.000 0.444 308 Q N -0.602 118.666 119.800 -0.886 0.000 2.050 308 Q HA -0.211 4.167 4.340 0.064 0.000 0.202 308 Q C 2.213 177.927 176.000 -0.477 0.000 0.980 308 Q CA 1.938 57.225 55.803 -0.859 0.000 0.840 308 Q CB -0.157 27.760 28.738 -1.368 0.000 0.898 308 Q HN 0.677 nan 8.270 nan 0.000 0.424 309 K N -0.004 120.136 120.400 -0.434 0.000 2.097 309 K HA -0.158 4.201 4.320 0.064 0.000 0.206 309 K C 2.053 178.512 176.600 -0.235 0.000 1.049 309 K CA 0.772 56.901 56.287 -0.263 0.000 0.933 309 K CB -0.066 32.322 32.500 -0.186 0.000 0.717 309 K HN 0.173 nan 8.250 nan 0.000 0.442 310 L N 1.427 122.472 121.223 -0.296 0.000 2.201 310 L HA -0.131 4.247 4.340 0.064 0.000 0.212 310 L C 2.150 178.889 176.870 -0.219 0.000 1.105 310 L CA 2.123 56.788 54.840 -0.293 0.000 0.775 310 L CB -0.924 40.876 42.059 -0.432 0.000 0.913 310 L HN 0.335 nan 8.230 nan 0.000 0.440 311 T N -4.362 110.069 114.554 -0.205 0.000 2.881 311 T HA -0.069 4.319 4.350 0.064 0.000 0.270 311 T C 1.851 176.491 174.700 -0.101 0.000 1.068 311 T CA 0.999 63.019 62.100 -0.133 0.000 1.131 311 T CB -0.973 67.829 68.868 -0.109 0.000 0.871 311 T HN 0.376 nan 8.240 nan 0.000 0.479 312 G N 1.169 109.901 108.800 -0.113 0.000 2.437 312 G HA2 -0.002 3.997 3.960 0.064 0.000 0.212 312 G HA3 -0.002 3.997 3.960 0.064 0.000 0.212 312 G C 1.893 176.750 174.900 -0.072 0.000 1.174 312 G CA -0.265 44.785 45.100 -0.083 0.000 0.811 312 G HN 0.285 nan 8.290 nan 0.000 0.537 313 R N 0.379 120.827 120.500 -0.085 0.000 2.092 313 R HA 0.021 4.399 4.340 0.064 0.000 0.231 313 R C -0.114 176.161 176.300 -0.041 0.000 1.119 313 R CA 0.921 56.984 56.100 -0.062 0.000 0.970 313 R CB -0.279 29.976 30.300 -0.076 0.000 0.864 313 R HN 0.362 nan 8.270 nan 0.000 0.440 314 D N -0.623 119.748 120.400 -0.047 0.000 2.411 314 D HA 0.134 4.812 4.640 0.064 0.000 0.239 314 D C -2.101 174.202 176.300 0.006 0.000 1.307 314 D CA -1.758 52.247 54.000 0.007 0.000 0.930 314 D CB 1.368 42.222 40.800 0.089 0.000 1.395 314 D HN -0.141 nan 8.370 nan 0.000 0.536 315 P HA -0.013 nan 4.420 nan 0.000 0.225 315 P C 0.101 177.406 177.300 0.010 0.000 1.148 315 P CA 0.702 63.792 63.100 -0.016 0.000 0.779 315 P CB 0.522 32.209 31.700 -0.022 0.000 0.780 316 D N -1.482 118.935 120.400 0.028 0.000 2.388 316 D HA 0.076 4.754 4.640 0.064 0.000 0.221 316 D C 1.251 177.583 176.300 0.052 0.000 1.133 316 D CA -0.446 53.573 54.000 0.032 0.000 0.831 316 D CB -0.561 40.236 40.800 -0.005 0.000 0.962 316 D HN 0.105 nan 8.370 nan 0.000 0.502 317 F N 1.353 121.246 119.950 -0.096 0.000 2.091 317 F HA -0.270 4.295 4.527 0.064 0.000 0.299 317 F C 2.081 177.852 175.800 -0.047 0.000 1.103 317 F CA 1.934 59.872 58.000 -0.103 0.000 1.228 317 F CB 0.049 38.932 39.000 -0.194 0.000 0.984 317 F HN 0.127 nan 8.300 nan 0.000 0.477 318 H N -1.318 117.668 119.070 -0.140 0.000 2.395 318 H HA -0.079 4.515 4.556 0.064 0.000 0.299 318 H C 2.379 177.601 175.328 -0.176 0.000 1.070 318 H CA 0.890 56.717 56.048 -0.368 0.000 1.356 318 H CB -0.116 29.252 29.762 -0.658 0.000 1.401 318 H HN 0.173 nan 8.280 nan 0.000 0.524 319 R N 1.253 121.843 120.500 0.150 0.000 2.081 319 R HA -0.139 4.239 4.340 0.064 0.000 0.235 319 R C 2.437 178.841 176.300 0.172 0.000 1.131 319 R CA 1.393 57.637 56.100 0.240 0.000 0.960 319 R CB -0.029 30.397 30.300 0.210 0.000 0.856 319 R HN 0.197 nan 8.270 nan 0.000 0.436 320 R N 0.330 120.849 120.500 0.031 0.000 2.062 320 R HA -0.143 4.235 4.340 0.064 0.000 0.231 320 R C 2.211 178.508 176.300 -0.005 0.000 1.136 320 R CA 1.681 57.781 56.100 0.000 0.000 0.948 320 R CB -0.284 29.973 30.300 -0.071 0.000 0.845 320 R HN 0.260 nan 8.270 nan 0.000 0.430 321 E N 0.767 120.847 120.200 -0.199 0.000 2.085 321 E HA -0.221 4.167 4.350 0.064 0.000 0.194 321 E C 2.025 178.598 176.600 -0.045 0.000 0.994 321 E CA 1.321 57.583 56.400 -0.231 0.000 0.801 321 E CB -0.131 29.253 29.700 -0.527 0.000 0.743 321 E HN 0.275 nan 8.360 nan 0.000 0.453 322 L N 0.847 122.089 121.223 0.031 0.000 1.994 322 L HA -0.158 4.221 4.340 0.064 0.000 0.208 322 L C 2.299 179.274 176.870 0.174 0.000 1.071 322 L CA 1.939 56.848 54.840 0.114 0.000 0.745 322 L CB -0.969 41.223 42.059 0.221 0.000 0.892 322 L HN 0.313 nan 8.230 nan 0.000 0.431 323 W N 0.972 122.310 121.300 0.062 0.000 2.335 323 W HA -0.243 4.454 4.660 0.063 0.000 0.311 323 W C 2.271 178.820 176.519 0.050 0.000 1.213 323 W CA 2.348 59.740 57.345 0.078 0.000 1.274 323 W CB -0.209 29.299 29.460 0.080 0.000 1.148 323 W HN 0.365 nan 8.180 nan 0.000 0.498 324 E N -0.117 120.257 120.200 0.290 0.000 2.106 324 E HA -0.149 4.239 4.350 0.064 0.000 0.192 324 E C 2.356 178.986 176.600 0.049 0.000 0.984 324 E CA 1.141 57.631 56.400 0.149 0.000 0.806 324 E CB -0.375 29.365 29.700 0.067 0.000 0.750 324 E HN 0.199 nan 8.360 nan 0.000 0.458 325 A N 1.227 124.075 122.820 0.047 0.000 1.877 325 A HA -0.186 4.173 4.320 0.064 0.000 0.216 325 A C 2.152 179.760 177.584 0.039 0.000 1.186 325 A CA 1.132 53.191 52.037 0.035 0.000 0.620 325 A CB -0.540 18.483 19.000 0.039 0.000 0.822 325 A HN 0.146 nan 8.150 nan 0.000 0.443 326 I N -0.612 120.001 120.570 0.071 0.000 2.315 326 I HA -0.212 3.996 4.170 0.064 0.000 0.248 326 I C 2.427 178.611 176.117 0.111 0.000 1.117 326 I CA 1.304 62.695 61.300 0.150 0.000 1.404 326 I CB -0.405 37.619 38.000 0.040 0.000 1.071 326 I HN 0.425 nan 8.210 nan 0.000 0.419 327 E N 0.868 121.083 120.200 0.025 0.000 2.204 327 E HA -0.171 4.217 4.350 0.064 0.000 0.195 327 E C 2.124 178.737 176.600 0.023 0.000 0.990 327 E CA 1.169 57.594 56.400 0.043 0.000 0.821 327 E CB -0.058 29.697 29.700 0.092 0.000 0.750 327 E HN 0.489 nan 8.360 nan 0.000 0.477 328 A N 0.015 122.824 122.820 -0.019 0.000 2.208 328 A HA 0.218 4.577 4.320 0.064 0.000 0.209 328 A C 1.761 179.276 177.584 -0.115 0.000 1.161 328 A CA 0.935 52.941 52.037 -0.053 0.000 0.782 328 A CB -0.064 18.887 19.000 -0.082 0.000 0.816 328 A HN 0.334 nan 8.150 nan 0.000 0.477 329 G N -0.445 108.193 108.800 -0.270 0.000 2.176 329 G HA2 -0.195 3.803 3.960 0.064 0.000 0.253 329 G HA3 -0.195 3.803 3.960 0.064 0.000 0.253 329 G C -0.190 174.198 174.900 -0.855 0.000 0.979 329 G CA 0.239 44.869 45.100 -0.783 0.000 0.641 329 G HN 0.451 nan 8.290 nan 0.000 0.530 330 D N 1.020 121.192 120.400 -0.381 0.000 2.994 330 D HA 0.274 4.953 4.640 0.064 0.000 0.240 330 D C 0.764 177.006 176.300 -0.097 0.000 1.195 330 D CA -0.220 53.663 54.000 -0.195 0.000 0.957 330 D CB -0.717 40.072 40.800 -0.019 0.000 1.105 330 D HN 0.443 nan 8.370 nan 0.000 0.477 331 F N 1.451 121.404 119.950 0.006 0.000 2.602 331 F HA 0.065 4.631 4.527 0.064 0.000 0.385 331 F C -1.383 174.390 175.800 -0.045 0.000 1.063 331 F CA -1.854 56.141 58.000 -0.008 0.000 1.233 331 F CB -0.077 38.928 39.000 0.008 0.000 1.067 331 F HN -0.102 nan 8.300 nan 0.000 0.564 332 P HA 0.024 nan 4.420 nan 0.000 0.262 332 P C -1.125 176.117 177.300 -0.098 0.000 1.199 332 P CA 0.339 63.429 63.100 -0.017 0.000 0.763 332 P CB 0.424 32.197 31.700 0.122 0.000 0.790 333 E N 2.532 122.530 120.200 -0.336 0.000 2.222 333 E HA 0.459 4.847 4.350 0.064 0.000 0.267 333 E C -1.025 175.261 176.600 -0.523 0.000 0.884 333 E CA -0.564 55.686 56.400 -0.250 0.000 0.764 333 E CB 1.426 31.083 29.700 -0.072 0.000 1.169 333 E HN 0.379 nan 8.360 nan 0.000 0.413 334 Y N 0.417 120.788 120.300 0.119 0.000 2.512 334 Y HA 0.264 4.853 4.550 0.065 0.000 0.348 334 Y C -0.205 175.925 175.900 0.383 0.000 0.990 334 Y CA -1.007 57.237 58.100 0.240 0.000 1.033 334 Y CB 2.027 40.604 38.460 0.194 0.000 1.259 334 Y HN 0.475 nan 8.280 nan 0.000 0.461 335 E N 2.810 123.336 120.200 0.542 0.000 2.109 335 E HA 0.369 4.758 4.350 0.064 0.000 0.278 335 E C -1.462 175.413 176.600 0.458 0.000 0.954 335 E CA -0.958 55.709 56.400 0.446 0.000 0.779 335 E CB 0.951 30.851 29.700 0.335 0.000 1.093 335 E HN 0.593 nan 8.360 nan 0.000 0.401 336 L N 4.403 125.831 121.223 0.342 0.000 2.416 336 L HA 0.460 4.839 4.340 0.064 0.000 0.272 336 L C -0.034 176.783 176.870 -0.089 0.000 1.161 336 L CA 0.756 55.519 54.840 -0.127 0.000 0.845 336 L CB 0.937 42.873 42.059 -0.205 0.000 1.119 336 L HN 0.593 nan 8.230 nan 0.000 0.464 337 G N 4.571 113.338 108.800 -0.054 0.000 2.620 337 G HA2 0.541 4.540 3.960 0.064 0.000 0.301 337 G HA3 0.541 4.540 3.960 0.064 0.000 0.301 337 G C -1.594 173.455 174.900 0.247 0.000 1.347 337 G CA -0.517 44.587 45.100 0.008 0.000 0.971 337 G HN 0.465 nan 8.290 nan 0.000 0.488 338 F N 0.186 120.154 119.950 0.031 0.000 2.495 338 F HA 0.405 4.971 4.527 0.065 0.000 0.327 338 F C 0.374 176.171 175.800 -0.005 0.000 1.103 338 F CA -0.955 57.070 58.000 0.041 0.000 0.949 338 F CB 2.643 41.654 39.000 0.020 0.000 1.142 338 F HN 0.128 nan 8.300 nan 0.000 0.457 339 Q N 4.190 124.106 119.800 0.194 0.000 2.331 339 Q HA 0.481 4.859 4.340 0.064 0.000 0.257 339 Q C -1.120 174.922 176.000 0.070 0.000 0.957 339 Q CA -0.490 55.371 55.803 0.096 0.000 0.923 339 Q CB 2.045 30.844 28.738 0.102 0.000 1.212 339 Q HN 0.523 nan 8.270 nan 0.000 0.443 340 L N 4.435 125.708 121.223 0.083 0.000 2.322 340 L HA 0.598 4.977 4.340 0.064 0.000 0.281 340 L C -0.512 176.409 176.870 0.086 0.000 1.014 340 L CA -0.573 54.305 54.840 0.063 0.000 0.815 340 L CB 1.281 43.386 42.059 0.078 0.000 1.247 340 L HN 0.496 nan 8.230 nan 0.000 0.421 341 I N 4.168 124.802 120.570 0.107 0.000 2.447 341 I HA 0.348 4.557 4.170 0.064 0.000 0.287 341 I C -2.306 173.915 176.117 0.175 0.000 1.023 341 I CA -2.105 59.299 61.300 0.173 0.000 1.083 341 I CB 2.300 40.428 38.000 0.213 0.000 1.245 341 I HN 0.280 nan 8.210 nan 0.000 0.434 342 P HA 0.005 nan 4.420 nan 0.000 0.268 342 P C 0.624 177.990 177.300 0.111 0.000 1.208 342 P CA 0.060 63.197 63.100 0.062 0.000 0.777 342 P CB 0.920 32.650 31.700 0.050 0.000 0.875 343 E N 1.984 122.169 120.200 -0.025 0.000 2.160 343 E HA -0.244 4.144 4.350 0.064 0.000 0.195 343 E C 1.436 178.142 176.600 0.177 0.000 0.991 343 E CA 1.062 57.464 56.400 0.003 0.000 0.810 343 E CB 0.037 29.639 29.700 -0.163 0.000 0.742 343 E HN 0.482 nan 8.360 nan 0.000 0.466 344 E N 0.236 120.507 120.200 0.117 0.000 2.409 344 E HA -0.176 4.213 4.350 0.064 0.000 0.198 344 E C 0.405 177.084 176.600 0.131 0.000 1.024 344 E CA 0.833 57.308 56.400 0.124 0.000 0.861 344 E CB 0.025 29.771 29.700 0.077 0.000 0.788 344 E HN 0.248 nan 8.360 nan 0.000 0.521 345 D N 1.151 121.634 120.400 0.139 0.000 2.368 345 D HA 0.004 4.682 4.640 0.064 0.000 0.218 345 D C 1.364 177.730 176.300 0.110 0.000 1.112 345 D CA 0.020 54.079 54.000 0.099 0.000 0.834 345 D CB 0.196 41.060 40.800 0.106 0.000 0.953 345 D HN 0.402 nan 8.370 nan 0.000 0.505 346 E N -0.085 120.169 120.200 0.090 0.000 2.086 346 E HA -0.211 4.177 4.350 0.064 0.000 0.200 346 E C 0.495 176.840 176.600 -0.424 0.000 1.012 346 E CA 1.191 57.450 56.400 -0.234 0.000 0.812 346 E CB 0.001 29.485 29.700 -0.360 0.000 0.743 346 E HN 0.252 nan 8.360 nan 0.000 0.453 347 F N -0.284 119.675 119.950 0.016 0.000 2.641 347 F HA 0.259 4.824 4.527 0.064 0.000 0.302 347 F C 1.346 177.089 175.800 -0.096 0.000 1.098 347 F CA -0.134 57.850 58.000 -0.026 0.000 1.318 347 F CB 0.548 39.539 39.000 -0.015 0.000 1.035 347 F HN -0.169 nan 8.300 nan 0.000 0.551 348 K N -0.052 120.299 120.400 -0.081 0.000 2.444 348 K HA 0.116 4.475 4.320 0.064 0.000 0.193 348 K C -0.150 176.072 176.600 -0.629 0.000 1.024 348 K CA 0.230 56.318 56.287 -0.332 0.000 1.077 348 K CB 0.149 32.402 32.500 -0.411 0.000 0.833 348 K HN 0.136 nan 8.250 nan 0.000 0.517 349 F N 0.809 120.593 119.950 -0.276 0.000 2.410 349 F HA 0.066 4.631 4.527 0.064 0.000 0.324 349 F C 1.340 176.935 175.800 -0.343 0.000 1.093 349 F CA -1.076 56.652 58.000 -0.454 0.000 1.028 349 F CB 0.602 38.918 39.000 -1.140 0.000 1.309 349 F HN -0.004 nan 8.300 nan 0.000 0.499 350 D N -0.631 119.747 120.400 -0.038 0.000 2.340 350 D HA 0.031 4.709 4.640 0.064 0.000 0.220 350 D C -0.386 175.999 176.300 0.142 0.000 1.039 350 D CA 0.204 54.247 54.000 0.073 0.000 0.866 350 D CB -0.828 40.050 40.800 0.130 0.000 0.913 350 D HN 0.230 nan 8.370 nan 0.000 0.523 351 F N -1.514 118.519 119.950 0.138 0.000 2.579 351 F HA 0.516 5.081 4.527 0.063 0.000 0.324 351 F C -0.182 175.603 175.800 -0.024 0.000 1.058 351 F CA -1.766 56.239 58.000 0.009 0.000 0.944 351 F CB 0.952 39.920 39.000 -0.053 0.000 1.245 351 F HN -0.337 nan 8.300 nan 0.000 0.477 352 D N 1.930 122.352 120.400 0.036 0.000 2.308 352 D HA 0.164 4.842 4.640 0.064 0.000 0.251 352 D C 1.016 177.252 176.300 -0.107 0.000 1.127 352 D CA -0.012 53.940 54.000 -0.081 0.000 0.876 352 D CB 1.471 42.218 40.800 -0.089 0.000 1.176 352 D HN 0.757 nan 8.370 nan 0.000 0.446 353 L N 3.474 124.565 121.223 -0.219 0.000 2.191 353 L HA -0.139 4.239 4.340 0.064 0.000 0.212 353 L C 1.923 178.644 176.870 -0.249 0.000 1.103 353 L CA 0.754 55.443 54.840 -0.253 0.000 0.769 353 L CB -0.043 41.726 42.059 -0.483 0.000 0.908 353 L HN 0.473 nan 8.230 nan 0.000 0.438 354 L N -1.019 120.070 121.223 -0.223 0.000 2.612 354 L HA 0.071 4.450 4.340 0.064 0.000 0.230 354 L C 0.321 177.095 176.870 -0.159 0.000 1.140 354 L CA -0.151 54.622 54.840 -0.113 0.000 0.896 354 L CB -0.318 41.773 42.059 0.053 0.000 1.065 354 L HN 0.083 nan 8.230 nan 0.000 0.447 355 D N 1.918 121.997 120.400 -0.534 0.000 2.347 355 D HA 0.138 4.816 4.640 0.064 0.000 0.235 355 D C -1.618 174.459 176.300 -0.372 0.000 1.149 355 D CA -2.285 51.182 54.000 -0.890 0.000 0.850 355 D CB 1.693 41.707 40.800 -1.311 0.000 1.061 355 D HN -0.086 nan 8.370 nan 0.000 0.487 356 P HA -0.020 nan 4.420 nan 0.000 0.245 356 P C 0.792 177.997 177.300 -0.158 0.000 1.212 356 P CA 0.508 63.532 63.100 -0.126 0.000 0.774 356 P CB -0.015 31.691 31.700 0.010 0.000 0.999 357 T N -4.398 110.055 114.554 -0.168 0.000 3.107 357 T HA 0.156 4.544 4.350 0.064 0.000 0.249 357 T C 0.728 175.341 174.700 -0.145 0.000 1.096 357 T CA -0.065 61.951 62.100 -0.140 0.000 1.012 357 T CB -0.172 68.662 68.868 -0.057 0.000 0.977 357 T HN -0.143 nan 8.240 nan 0.000 0.527 358 K N 2.240 122.454 120.400 -0.311 0.000 2.244 358 K HA 0.561 4.919 4.320 0.064 0.000 0.260 358 K C -0.281 176.127 176.600 -0.320 0.000 0.951 358 K CA -0.845 55.125 56.287 -0.529 0.000 0.826 358 K CB 2.141 34.191 32.500 -0.751 0.000 1.108 358 K HN 0.308 nan 8.250 nan 0.000 0.433 359 L N -0.228 120.962 121.223 -0.055 0.000 2.431 359 L HA 0.643 5.021 4.340 0.064 0.000 0.260 359 L C 0.032 176.728 176.870 -0.290 0.000 1.098 359 L CA -0.471 54.286 54.840 -0.139 0.000 0.800 359 L CB 0.274 42.323 42.059 -0.016 0.000 1.210 359 L HN 0.436 nan 8.230 nan 0.000 0.465 360 I N 1.352 121.843 120.570 -0.131 0.000 2.330 360 I HA 0.360 4.569 4.170 0.064 0.000 0.286 360 I C -2.131 174.014 176.117 0.046 0.000 1.025 360 I CA -1.773 59.506 61.300 -0.034 0.000 1.197 360 I CB 1.090 39.084 38.000 -0.010 0.000 1.358 360 I HN 0.451 nan 8.210 nan 0.000 0.467 361 P HA -0.005 nan 4.420 nan 0.000 0.262 361 P C 0.372 177.743 177.300 0.119 0.000 1.182 361 P CA 0.199 63.352 63.100 0.089 0.000 0.761 361 P CB 0.559 32.306 31.700 0.078 0.000 0.795 362 E N 1.978 122.254 120.200 0.126 0.000 2.204 362 E HA -0.199 4.190 4.350 0.064 0.000 0.195 362 E C 1.360 178.016 176.600 0.093 0.000 0.990 362 E CA 0.809 57.271 56.400 0.104 0.000 0.821 362 E CB -0.022 29.741 29.700 0.106 0.000 0.750 362 E HN 0.524 nan 8.360 nan 0.000 0.477 363 E N 0.384 120.641 120.200 0.094 0.000 2.265 363 E HA -0.131 4.258 4.350 0.064 0.000 0.196 363 E C 2.023 178.689 176.600 0.109 0.000 0.996 363 E CA 0.702 57.154 56.400 0.086 0.000 0.832 363 E CB 0.105 29.850 29.700 0.073 0.000 0.756 363 E HN 0.372 nan 8.360 nan 0.000 0.491 364 L N -0.484 120.828 121.223 0.147 0.000 2.221 364 L HA 0.067 4.445 4.340 0.064 0.000 0.202 364 L C 0.632 177.623 176.870 0.203 0.000 1.074 364 L CA 0.430 55.395 54.840 0.208 0.000 0.795 364 L CB 0.443 42.704 42.059 0.336 0.000 0.960 364 L HN -0.208 nan 8.230 nan 0.000 0.458 365 V N 1.548 121.560 119.914 0.163 0.000 2.419 365 V HA 0.324 4.482 4.120 0.064 0.000 0.287 365 V C -2.365 173.778 176.094 0.082 0.000 1.017 365 V CA -1.460 60.919 62.300 0.131 0.000 0.844 365 V CB 1.639 33.532 31.823 0.116 0.000 1.011 365 V HN -0.027 nan 8.190 nan 0.000 0.429 366 P HA 0.202 nan 4.420 nan 0.000 0.274 366 P C -0.393 176.906 177.300 -0.001 0.000 1.231 366 P CA -0.092 63.030 63.100 0.036 0.000 0.790 366 P CB 1.232 32.956 31.700 0.041 0.000 0.951 367 V N 3.084 122.966 119.914 -0.054 0.000 2.408 367 V HA 0.102 4.260 4.120 0.064 0.000 0.267 367 V C 0.885 176.968 176.094 -0.018 0.000 1.047 367 V CA -0.028 62.204 62.300 -0.114 0.000 0.937 367 V CB 0.128 31.791 31.823 -0.268 0.000 0.999 367 V HN 0.555 nan 8.190 nan 0.000 0.472 368 Q N 6.008 125.821 119.800 0.021 0.000 2.279 368 Q HA 0.317 4.696 4.340 0.064 0.000 0.256 368 Q C -0.083 175.920 176.000 0.005 0.000 0.937 368 Q CA -0.653 55.167 55.803 0.028 0.000 0.933 368 Q CB 0.727 29.494 28.738 0.048 0.000 1.189 368 Q HN 0.654 nan 8.270 nan 0.000 0.417 369 R N 2.627 123.155 120.500 0.046 0.000 2.489 369 R HA 0.083 4.461 4.340 0.064 0.000 0.287 369 R C 0.272 176.615 176.300 0.071 0.000 1.053 369 R CA -0.267 55.904 56.100 0.118 0.000 1.036 369 R CB 0.833 31.275 30.300 0.236 0.000 0.966 369 R HN 0.533 nan 8.270 nan 0.000 0.432 370 V N 1.222 121.076 119.914 -0.100 0.000 3.090 370 V HA 0.298 4.456 4.120 0.064 0.000 0.237 370 V C 0.776 176.591 176.094 -0.466 0.000 1.209 370 V CA 1.101 63.214 62.300 -0.312 0.000 1.209 370 V CB 1.008 32.406 31.823 -0.709 0.000 0.971 370 V HN 1.017 nan 8.190 nan 0.000 0.477 371 G N -0.379 108.029 108.800 -0.653 0.000 2.495 371 G HA2 0.499 4.497 3.960 0.064 0.000 0.294 371 G HA3 0.499 4.497 3.960 0.064 0.000 0.294 371 G C -1.853 172.670 174.900 -0.628 0.000 1.397 371 G CA -0.551 43.898 45.100 -1.085 0.000 0.790 371 G HN 0.040 nan 8.290 nan 0.000 0.486 372 K N -0.274 119.785 120.400 -0.570 0.000 2.324 372 K HA 0.722 5.080 4.320 0.064 0.000 0.253 372 K C -0.832 175.797 176.600 0.049 0.000 0.932 372 K CA -0.771 55.482 56.287 -0.057 0.000 0.799 372 K CB 1.972 34.499 32.500 0.044 0.000 1.154 372 K HN 0.561 nan 8.250 nan 0.000 0.425 373 M N 4.691 124.459 119.600 0.280 0.000 2.311 373 M HA 0.401 4.919 4.480 0.064 0.000 0.325 373 M C -1.753 174.545 176.300 -0.004 0.000 1.061 373 M CA -0.756 54.667 55.300 0.205 0.000 0.957 373 M CB 1.655 34.421 32.600 0.277 0.000 1.646 373 M HN 0.345 nan 8.290 nan 0.000 0.434 374 V N 5.818 125.573 119.914 -0.265 0.000 2.531 374 V HA 0.449 4.607 4.120 0.064 0.000 0.301 374 V C -1.026 174.935 176.094 -0.222 0.000 1.034 374 V CA -0.815 61.319 62.300 -0.276 0.000 0.865 374 V CB 1.765 33.274 31.823 -0.523 0.000 0.995 374 V HN 0.658 nan 8.190 nan 0.000 0.424 375 L N 5.904 127.085 121.223 -0.070 0.000 2.264 375 L HA 0.486 4.864 4.340 0.064 0.000 0.287 375 L C 0.718 177.510 176.870 -0.131 0.000 1.039 375 L CA 0.089 54.893 54.840 -0.061 0.000 0.829 375 L CB 0.956 43.027 42.059 0.019 0.000 1.211 375 L HN 0.863 nan 8.230 nan 0.000 0.427 376 N N 2.125 120.649 118.700 -0.294 0.000 2.197 376 N HA 0.152 4.931 4.740 0.064 0.000 0.228 376 N C 0.091 175.425 175.510 -0.293 0.000 1.212 376 N CA -0.230 52.399 53.050 -0.703 0.000 0.883 376 N CB 0.739 38.525 38.487 -1.168 0.000 1.107 376 N HN 0.390 nan 8.380 nan 0.000 0.519 377 R N 0.186 120.618 120.500 -0.113 0.000 2.536 377 R HA 0.298 4.676 4.340 0.064 0.000 0.269 377 R C -1.292 174.966 176.300 -0.070 0.000 1.113 377 R CA -0.574 55.478 56.100 -0.081 0.000 0.948 377 R CB 1.274 31.529 30.300 -0.075 0.000 1.237 377 R HN 0.061 nan 8.270 nan 0.000 0.441 378 N N 3.060 121.598 118.700 -0.269 0.000 2.467 378 N HA 0.287 5.066 4.740 0.064 0.000 0.262 378 N C -2.285 173.162 175.510 -0.105 0.000 1.234 378 N CA -1.273 51.478 53.050 -0.497 0.000 0.952 378 N CB 0.582 38.126 38.487 -1.571 0.000 1.158 378 N HN 0.298 nan 8.380 nan 0.000 0.463 379 P HA 0.101 nan 4.420 nan 0.000 0.272 379 P C 0.195 177.673 177.300 0.297 0.000 1.254 379 P CA -0.060 63.233 63.100 0.321 0.000 0.795 379 P CB 0.964 32.889 31.700 0.376 0.000 1.022 380 D N -1.314 119.240 120.400 0.257 0.000 2.269 380 D HA -0.008 4.670 4.640 0.064 0.000 0.220 380 D C 0.364 176.835 176.300 0.285 0.000 0.962 380 D CA 1.244 55.388 54.000 0.239 0.000 0.884 380 D CB 0.163 41.045 40.800 0.137 0.000 1.023 380 D HN 0.368 nan 8.370 nan 0.000 0.484 381 N N -0.043 118.813 118.700 0.261 0.000 2.448 381 N HA 0.014 4.792 4.740 0.064 0.000 0.279 381 N C 0.125 175.832 175.510 0.328 0.000 1.025 381 N CA -0.326 52.892 53.050 0.280 0.000 0.898 381 N CB 1.569 40.189 38.487 0.223 0.000 1.303 381 N HN -0.157 nan 8.380 nan 0.000 0.495 382 F N 4.443 124.540 119.950 0.246 0.000 2.065 382 F HA -0.213 4.353 4.527 0.064 0.000 0.298 382 F C 1.699 177.625 175.800 0.209 0.000 1.112 382 F CA 1.653 59.798 58.000 0.242 0.000 1.212 382 F CB -0.163 38.954 39.000 0.195 0.000 0.975 382 F HN 0.617 nan 8.300 nan 0.000 0.476 383 F N 0.829 121.014 119.950 0.391 0.000 2.046 383 F HA -0.211 4.354 4.527 0.064 0.000 0.297 383 F C 2.378 178.235 175.800 0.094 0.000 1.123 383 F CA 2.083 60.232 58.000 0.248 0.000 1.199 383 F CB -1.015 38.104 39.000 0.199 0.000 0.972 383 F HN 0.001 nan 8.300 nan 0.000 0.474 384 A N -0.429 122.508 122.820 0.194 0.000 1.933 384 A HA -0.193 4.166 4.320 0.064 0.000 0.218 384 A C 2.050 179.551 177.584 -0.139 0.000 1.175 384 A CA 2.114 54.164 52.037 0.020 0.000 0.628 384 A CB -0.721 18.362 19.000 0.138 0.000 0.814 384 A HN 0.640 nan 8.150 nan 0.000 0.444 385 E N -1.461 118.674 120.200 -0.108 0.000 2.162 385 E HA -0.057 4.332 4.350 0.064 0.000 0.193 385 E C 1.961 178.453 176.600 -0.179 0.000 0.953 385 E CA 0.457 56.734 56.400 -0.204 0.000 0.849 385 E CB -0.116 29.510 29.700 -0.124 0.000 0.810 385 E HN 0.577 nan 8.360 nan 0.000 0.470 386 N N 1.362 119.954 118.700 -0.182 0.000 2.176 386 N HA -0.154 4.625 4.740 0.064 0.000 0.187 386 N C 1.829 177.173 175.510 -0.276 0.000 1.043 386 N CA 1.319 54.225 53.050 -0.240 0.000 0.851 386 N CB 0.054 38.033 38.487 -0.846 0.000 1.018 386 N HN -0.074 nan 8.380 nan 0.000 0.436 387 E N 0.872 120.841 120.200 -0.384 0.000 2.085 387 E HA -0.131 4.257 4.350 0.064 0.000 0.194 387 E C 1.603 178.018 176.600 -0.310 0.000 0.994 387 E CA 1.584 57.832 56.400 -0.253 0.000 0.801 387 E CB -0.196 29.378 29.700 -0.210 0.000 0.743 387 E HN 0.510 nan 8.360 nan 0.000 0.453 388 Q N -0.314 119.222 119.800 -0.439 0.000 2.444 388 Q HA 0.238 4.617 4.340 0.064 0.000 0.206 388 Q C -0.100 175.773 176.000 -0.212 0.000 0.948 388 Q CA 0.196 55.800 55.803 -0.331 0.000 0.946 388 Q CB 0.473 28.989 28.738 -0.371 0.000 1.027 388 Q HN 0.212 nan 8.270 nan 0.000 0.513 389 A N 1.205 123.918 122.820 -0.179 0.000 2.477 389 A HA 0.476 4.834 4.320 0.064 0.000 0.246 389 A C -0.140 177.322 177.584 -0.204 0.000 1.078 389 A CA 0.054 51.964 52.037 -0.212 0.000 0.770 389 A CB 0.283 19.227 19.000 -0.094 0.000 1.011 389 A HN 0.275 nan 8.150 nan 0.000 0.494 390 A N 2.582 125.228 122.820 -0.291 0.000 2.311 390 A HA 0.712 5.071 4.320 0.064 0.000 0.306 390 A C -0.768 176.679 177.584 -0.228 0.000 1.189 390 A CA -0.405 51.524 52.037 -0.180 0.000 0.791 390 A CB 0.233 19.127 19.000 -0.177 0.000 1.172 390 A HN 0.644 nan 8.150 nan 0.000 0.481 391 F N 0.872 120.829 119.950 0.012 0.000 2.458 391 F HA 0.651 5.216 4.527 0.064 0.000 0.330 391 F C 0.320 176.091 175.800 -0.049 0.000 1.082 391 F CA -0.117 57.869 58.000 -0.024 0.000 0.995 391 F CB 2.031 40.964 39.000 -0.113 0.000 1.170 391 F HN 0.743 nan 8.300 nan 0.000 0.478 392 H N 3.072 121.990 119.070 -0.253 0.000 3.099 392 H HA 0.279 4.879 4.556 0.073 0.000 0.342 392 H C -2.441 172.492 175.328 -0.658 0.000 1.054 392 H CA -1.785 53.842 56.048 -0.702 0.000 1.328 392 H CB 2.609 31.846 29.762 -0.876 0.000 1.876 392 H HN 0.173 nan 8.280 nan 0.000 0.495 393 P HA -0.026 nan 4.420 nan 0.000 0.226 393 P C 1.195 178.332 177.300 -0.272 0.000 1.153 393 P CA 1.384 64.147 63.100 -0.562 0.000 0.777 393 P CB 0.135 31.571 31.700 -0.440 0.000 0.794 394 G N -1.069 107.334 108.800 -0.662 0.000 2.534 394 G HA2 -0.150 3.848 3.960 0.064 0.000 0.217 394 G HA3 -0.150 3.848 3.960 0.064 0.000 0.217 394 G C 0.456 175.540 174.900 0.306 0.000 1.128 394 G CA -0.006 45.103 45.100 0.015 0.000 0.784 394 G HN 0.425 nan 8.290 nan 0.000 0.542 395 H N 0.873 120.043 119.070 0.167 0.000 3.224 395 H HA 0.322 4.913 4.556 0.059 0.000 0.265 395 H C 0.575 175.997 175.328 0.157 0.000 1.461 395 H CA -0.733 55.393 56.048 0.130 0.000 1.509 395 H CB -0.161 29.648 29.762 0.077 0.000 1.686 395 H HN 0.377 nan 8.280 nan 0.000 0.514 396 I N -0.334 120.350 120.570 0.191 0.000 3.217 396 I HA 0.688 4.896 4.170 0.064 0.000 0.308 396 I C -0.129 175.964 176.117 -0.039 0.000 1.091 396 I CA -1.428 59.905 61.300 0.055 0.000 1.013 396 I CB 1.879 39.800 38.000 -0.132 0.000 1.250 396 I HN 0.120 nan 8.210 nan 0.000 0.496 397 V N -2.247 117.628 119.914 -0.065 0.000 3.102 397 V HA 0.666 4.825 4.120 0.064 0.000 0.312 397 V C -2.836 173.361 176.094 0.172 0.000 1.135 397 V CA -2.582 59.746 62.300 0.046 0.000 1.022 397 V CB 0.995 32.827 31.823 0.013 0.000 1.056 397 V HN 0.634 nan 8.190 nan 0.000 0.436 398 P HA 0.324 nan 4.420 nan 0.000 0.262 398 P C 0.927 178.232 177.300 0.008 0.000 1.182 398 P CA 1.987 65.166 63.100 0.131 0.000 0.761 398 P CB 0.519 32.268 31.700 0.080 0.000 0.795 399 G N 1.714 110.472 108.800 -0.071 0.000 2.218 399 G HA2 -0.162 3.836 3.960 0.064 0.000 0.216 399 G HA3 -0.162 3.836 3.960 0.064 0.000 0.216 399 G C -0.246 174.575 174.900 -0.132 0.000 0.994 399 G CA -0.410 44.629 45.100 -0.103 0.000 0.637 399 G HN 0.457 nan 8.290 nan 0.000 0.505 400 L N 0.085 121.243 121.223 -0.108 0.000 2.323 400 L HA 0.918 5.296 4.340 0.064 0.000 0.265 400 L C -0.470 176.345 176.870 -0.092 0.000 1.012 400 L CA -1.042 53.710 54.840 -0.148 0.000 0.820 400 L CB 2.060 43.957 42.059 -0.271 0.000 1.334 400 L HN 0.106 nan 8.230 nan 0.000 0.427 401 D N -0.689 119.638 120.400 -0.122 0.000 2.665 401 D HA 0.444 5.123 4.640 0.064 0.000 0.287 401 D C -1.190 175.031 176.300 -0.132 0.000 1.266 401 D CA -0.365 53.522 54.000 -0.189 0.000 0.830 401 D CB 1.818 42.589 40.800 -0.048 0.000 1.356 401 D HN 0.114 nan 8.370 nan 0.000 0.437 402 F N -0.199 119.887 119.950 0.228 0.000 2.321 402 F HA 0.535 5.101 4.527 0.065 0.000 0.318 402 F C 1.501 177.337 175.800 0.061 0.000 1.129 402 F CA -0.230 57.841 58.000 0.119 0.000 1.074 402 F CB 1.066 40.104 39.000 0.063 0.000 1.432 402 F HN 0.224 nan 8.300 nan 0.000 0.502 403 T N -3.298 111.368 114.554 0.187 0.000 2.804 403 T HA 0.307 4.695 4.350 0.064 0.000 0.290 403 T C -0.098 174.639 174.700 0.061 0.000 1.099 403 T CA -0.973 61.208 62.100 0.135 0.000 1.011 403 T CB 1.247 70.167 68.868 0.087 0.000 1.291 403 T HN 0.343 nan 8.240 nan 0.000 0.523 404 N N 1.043 119.780 118.700 0.061 0.000 2.449 404 N HA 0.060 4.838 4.740 0.064 0.000 0.191 404 N C 0.074 175.588 175.510 0.008 0.000 1.161 404 N CA 0.085 53.154 53.050 0.031 0.000 0.863 404 N CB -0.414 38.108 38.487 0.058 0.000 0.980 404 N HN 0.704 nan 8.380 nan 0.000 0.458 405 D N 2.422 122.812 120.400 -0.017 0.000 2.793 405 D HA -0.094 4.584 4.640 0.064 0.000 0.230 405 D C -1.293 174.999 176.300 -0.015 0.000 1.139 405 D CA -0.804 53.209 54.000 0.021 0.000 0.838 405 D CB 1.222 41.982 40.800 -0.066 0.000 1.149 405 D HN 0.158 nan 8.370 nan 0.000 0.526 406 P HA -0.133 nan 4.420 nan 0.000 0.223 406 P C 1.593 178.907 177.300 0.024 0.000 1.151 406 P CA 0.238 63.352 63.100 0.023 0.000 0.787 406 P CB 0.403 32.108 31.700 0.009 0.000 0.788 407 L N -0.267 120.992 121.223 0.059 0.000 2.049 407 L HA -0.009 4.369 4.340 0.064 0.000 0.203 407 L C 2.436 179.228 176.870 -0.130 0.000 1.074 407 L CA 1.269 56.141 54.840 0.054 0.000 0.749 407 L CB -1.613 40.564 42.059 0.197 0.000 0.907 407 L HN -0.170 nan 8.230 nan 0.000 0.439 408 L N -0.513 120.459 121.223 -0.420 0.000 2.042 408 L HA -0.232 4.147 4.340 0.064 0.000 0.210 408 L C 2.437 179.050 176.870 -0.427 0.000 1.076 408 L CA 1.799 56.155 54.840 -0.806 0.000 0.749 408 L CB -0.931 40.410 42.059 -1.196 0.000 0.893 408 L HN 0.380 nan 8.230 nan 0.000 0.432 409 Q N -0.145 119.484 119.800 -0.284 0.000 2.096 409 Q HA -0.155 4.223 4.340 0.064 0.000 0.204 409 Q C 2.104 178.027 176.000 -0.127 0.000 0.982 409 Q CA 1.805 57.484 55.803 -0.207 0.000 0.850 409 Q CB -0.776 27.890 28.738 -0.119 0.000 0.901 409 Q HN 0.710 nan 8.270 nan 0.000 0.422 410 G N 0.337 109.095 108.800 -0.071 0.000 2.464 410 G HA2 -0.186 3.812 3.960 0.064 0.000 0.217 410 G HA3 -0.186 3.812 3.960 0.064 0.000 0.217 410 G C 1.516 176.444 174.900 0.046 0.000 1.138 410 G CA 0.051 45.160 45.100 0.014 0.000 0.793 410 G HN 0.234 nan 8.290 nan 0.000 0.539 411 R N -0.073 120.400 120.500 -0.044 0.000 2.105 411 R HA 0.031 4.410 4.340 0.064 0.000 0.239 411 R C 2.477 178.849 176.300 0.120 0.000 1.135 411 R CA 0.863 56.988 56.100 0.042 0.000 0.967 411 R CB -0.463 29.820 30.300 -0.030 0.000 0.861 411 R HN 0.341 nan 8.270 nan 0.000 0.442 412 L N -0.329 120.863 121.223 -0.052 0.000 2.127 412 L HA -0.207 4.171 4.340 0.064 0.000 0.211 412 L C 2.289 179.295 176.870 0.227 0.000 1.089 412 L CA 1.129 55.963 54.840 -0.009 0.000 0.757 412 L CB -0.491 41.422 42.059 -0.242 0.000 0.899 412 L HN 0.160 nan 8.230 nan 0.000 0.434 413 F N 0.299 120.290 119.950 0.068 0.000 2.128 413 F HA -0.186 4.362 4.527 0.035 0.000 0.295 413 F C 2.813 178.661 175.800 0.080 0.000 1.100 413 F CA 1.604 59.638 58.000 0.057 0.000 1.260 413 F CB -0.304 38.709 39.000 0.021 0.000 1.009 413 F HN -0.031 nan 8.300 nan 0.000 0.476 414 S N -0.723 114.969 115.700 -0.013 0.000 2.368 414 S HA -0.206 4.302 4.470 0.064 0.000 0.224 414 S C 2.059 176.543 174.600 -0.194 0.000 1.029 414 S CA 1.362 59.454 58.200 -0.180 0.000 0.988 414 S CB -0.882 62.269 63.200 -0.082 0.000 0.838 414 S HN 0.554 nan 8.310 nan 0.000 0.462 415 Y N 1.385 121.664 120.300 -0.035 0.000 2.421 415 Y HA -0.013 4.572 4.550 0.059 0.000 0.292 415 Y C 2.882 178.482 175.900 -0.501 0.000 1.136 415 Y CA 1.099 59.160 58.100 -0.065 0.000 1.255 415 Y CB -0.604 38.276 38.460 0.700 0.000 0.991 415 Y HN 0.273 nan 8.280 nan 0.000 0.552 416 T N -0.671 113.538 114.554 -0.576 0.000 2.809 416 T HA -0.162 4.227 4.350 0.064 0.000 0.260 416 T C 1.398 175.907 174.700 -0.318 0.000 1.039 416 T CA 1.476 63.323 62.100 -0.421 0.000 1.141 416 T CB -0.380 68.294 68.868 -0.324 0.000 0.869 416 T HN 0.340 nan 8.240 nan 0.000 0.437 417 D N 0.904 121.054 120.400 -0.416 0.000 2.106 417 D HA -0.141 4.537 4.640 0.064 0.000 0.191 417 D C 2.274 178.427 176.300 -0.243 0.000 0.997 417 D CA 1.760 55.536 54.000 -0.374 0.000 0.834 417 D CB -0.560 39.837 40.800 -0.673 0.000 0.956 417 D HN 0.226 nan 8.370 nan 0.000 0.448 418 T N -1.173 113.230 114.554 -0.252 0.000 2.803 418 T HA -0.185 4.203 4.350 0.064 0.000 0.269 418 T C 1.612 176.198 174.700 -0.191 0.000 1.052 418 T CA 1.547 63.537 62.100 -0.183 0.000 1.136 418 T CB -0.233 68.524 68.868 -0.186 0.000 0.864 418 T HN 0.172 nan 8.240 nan 0.000 0.467 419 Q N 0.129 119.747 119.800 -0.303 0.000 2.482 419 Q HA 0.187 4.566 4.340 0.064 0.000 0.209 419 Q C 1.910 177.810 176.000 -0.167 0.000 0.961 419 Q CA 0.316 55.912 55.803 -0.345 0.000 0.945 419 Q CB -0.053 28.240 28.738 -0.741 0.000 1.012 419 Q HN 0.461 nan 8.270 nan 0.000 0.515 420 I N -0.056 120.463 120.570 -0.085 0.000 2.394 420 I HA -0.205 4.003 4.170 0.064 0.000 0.251 420 I C 2.003 178.121 176.117 0.003 0.000 1.136 420 I CA 1.534 62.840 61.300 0.010 0.000 1.425 420 I CB -1.174 36.837 38.000 0.019 0.000 1.079 420 I HN 0.256 nan 8.210 nan 0.000 0.425 421 S N 0.187 115.874 115.700 -0.022 0.000 2.460 421 S HA -0.028 4.481 4.470 0.064 0.000 0.226 421 S C 2.157 176.750 174.600 -0.011 0.000 1.057 421 S CA -0.012 58.185 58.200 -0.005 0.000 0.948 421 S CB -0.282 62.917 63.200 -0.001 0.000 0.822 421 S HN 0.259 nan 8.310 nan 0.000 0.512 422 R N 0.979 121.455 120.500 -0.040 0.000 2.083 422 R HA 0.135 4.513 4.340 0.064 0.000 0.237 422 R C 1.279 177.560 176.300 -0.031 0.000 1.137 422 R CA 1.530 57.607 56.100 -0.039 0.000 0.951 422 R CB -0.286 29.970 30.300 -0.073 0.000 0.851 422 R HN 0.449 nan 8.270 nan 0.000 0.434 423 L N -0.532 120.662 121.223 -0.048 0.000 2.818 423 L HA 0.315 4.693 4.340 0.064 0.000 0.243 423 L C 0.842 177.732 176.870 0.032 0.000 1.185 423 L CA 0.243 55.074 54.840 -0.014 0.000 0.988 423 L CB 0.989 43.034 42.059 -0.023 0.000 1.292 423 L HN 0.573 nan 8.230 nan 0.000 0.519 424 G N 0.206 109.024 108.800 0.030 0.000 2.175 424 G HA2 -0.182 3.816 3.960 0.064 0.000 0.265 424 G HA3 -0.182 3.816 3.960 0.064 0.000 0.265 424 G C 0.489 175.428 174.900 0.065 0.000 0.979 424 G CA 0.229 45.354 45.100 0.042 0.000 0.663 424 G HN 0.770 nan 8.290 nan 0.000 0.533 425 G N -1.935 106.925 108.800 0.100 0.000 2.327 425 G HA2 0.609 4.608 3.960 0.064 0.000 0.291 425 G HA3 0.609 4.608 3.960 0.064 0.000 0.291 425 G C -2.226 172.804 174.900 0.216 0.000 1.290 425 G CA 0.358 45.531 45.100 0.121 0.000 0.857 425 G HN 0.374 nan 8.290 nan 0.000 0.520 426 P HA 0.116 nan 4.420 nan 0.000 0.249 426 P C 0.345 177.644 177.300 -0.003 0.000 1.229 426 P CA 0.381 63.562 63.100 0.136 0.000 0.788 426 P CB 0.238 31.986 31.700 0.079 0.000 1.072 427 N N 0.347 119.050 118.700 0.004 0.000 2.327 427 N HA 0.061 4.840 4.740 0.064 0.000 0.231 427 N C 1.011 176.357 175.510 -0.272 0.000 1.130 427 N CA -0.165 52.789 53.050 -0.158 0.000 0.845 427 N CB -0.590 37.843 38.487 -0.089 0.000 1.073 427 N HN 0.257 nan 8.380 nan 0.000 0.496 428 F N 0.770 120.696 119.950 -0.041 0.000 2.408 428 F HA -0.069 4.487 4.527 0.048 0.000 0.300 428 F C 2.179 177.910 175.800 -0.115 0.000 1.090 428 F CA 0.764 58.715 58.000 -0.082 0.000 1.427 428 F CB -0.752 38.221 39.000 -0.046 0.000 1.070 428 F HN 0.162 nan 8.300 nan 0.000 0.549 429 H N 0.402 119.105 119.070 -0.612 0.000 2.546 429 H HA 0.074 4.667 4.556 0.062 0.000 0.277 429 H C 0.839 176.016 175.328 -0.253 0.000 1.004 429 H CA 1.277 57.069 56.048 -0.426 0.000 1.231 429 H CB -0.772 28.610 29.762 -0.633 0.000 1.382 429 H HN 0.529 nan 8.280 nan 0.000 0.580 430 E N 0.956 120.722 120.200 -0.723 0.000 2.478 430 E HA 0.172 4.561 4.350 0.064 0.000 0.194 430 E C 0.302 176.784 176.600 -0.198 0.000 1.045 430 E CA -0.259 55.893 56.400 -0.414 0.000 0.868 430 E CB 0.487 29.959 29.700 -0.380 0.000 0.885 430 E HN 0.425 nan 8.360 nan 0.000 0.505 431 I N 2.944 123.417 120.570 -0.163 0.000 2.587 431 I HA -0.046 4.163 4.170 0.064 0.000 0.284 431 I C -1.529 174.523 176.117 -0.108 0.000 1.134 431 I CA -1.527 59.705 61.300 -0.112 0.000 1.410 431 I CB 0.555 38.501 38.000 -0.089 0.000 1.392 431 I HN -0.182 nan 8.210 nan 0.000 0.545 432 P HA -0.283 nan 4.420 nan 0.000 0.219 432 P C 1.735 178.958 177.300 -0.128 0.000 1.161 432 P CA 1.472 64.514 63.100 -0.098 0.000 0.909 432 P CB 0.148 31.799 31.700 -0.082 0.000 0.793 433 I N -0.899 119.567 120.570 -0.175 0.000 2.335 433 I HA -0.205 4.004 4.170 0.064 0.000 0.251 433 I C 1.434 177.464 176.117 -0.146 0.000 1.129 433 I CA 1.724 62.869 61.300 -0.259 0.000 1.402 433 I CB -0.675 37.062 38.000 -0.439 0.000 1.069 433 I HN -0.102 nan 8.210 nan 0.000 0.424 434 N N 0.690 119.325 118.700 -0.107 0.000 2.446 434 N HA 0.011 4.790 4.740 0.064 0.000 0.179 434 N C 0.338 175.855 175.510 0.011 0.000 1.054 434 N CA 0.248 53.267 53.050 -0.051 0.000 0.905 434 N CB -0.176 38.298 38.487 -0.021 0.000 0.973 434 N HN 0.388 nan 8.380 nan 0.000 0.448 435 R N 1.659 122.158 120.500 -0.000 0.000 2.570 435 R HA 0.123 4.501 4.340 0.064 0.000 0.277 435 R C -2.230 174.133 176.300 0.105 0.000 1.039 435 R CA -1.098 55.010 56.100 0.013 0.000 1.065 435 R CB -0.196 30.098 30.300 -0.011 0.000 0.964 435 R HN 0.048 nan 8.270 nan 0.000 0.428 436 P HA -0.005 nan 4.420 nan 0.000 0.272 436 P C 0.511 177.884 177.300 0.123 0.000 1.223 436 P CA -0.023 63.157 63.100 0.134 0.000 0.784 436 P CB 0.736 32.472 31.700 0.061 0.000 0.923 437 T N -2.753 111.884 114.554 0.139 0.000 3.086 437 T HA 0.098 4.486 4.350 0.064 0.000 0.250 437 T C 0.822 175.567 174.700 0.075 0.000 1.074 437 T CA -0.079 62.059 62.100 0.063 0.000 0.988 437 T CB -1.081 67.802 68.868 0.025 0.000 0.988 437 T HN 0.555 nan 8.240 nan 0.000 0.530 438 C N 0.834 120.194 119.300 0.099 0.000 2.328 438 C HA 0.813 5.312 4.460 0.064 0.000 0.378 438 C C -2.473 172.576 174.990 0.098 0.000 1.249 438 C CA -2.481 56.592 59.018 0.093 0.000 2.204 438 C CB 0.097 27.896 27.740 0.100 0.000 2.218 438 C HN 0.164 nan 8.230 nan 0.000 0.564 439 P HA 0.330 nan 4.420 nan 0.000 0.271 439 P C -1.271 176.107 177.300 0.130 0.000 1.218 439 P CA 0.361 63.531 63.100 0.117 0.000 0.780 439 P CB -0.016 31.792 31.700 0.180 0.000 0.901 440 Y N 0.542 120.751 120.300 -0.151 0.000 2.330 440 Y HA 0.619 5.207 4.550 0.064 0.000 0.324 440 Y C -1.580 174.038 175.900 -0.470 0.000 1.093 440 Y CA -0.873 57.117 58.100 -0.184 0.000 1.103 440 Y CB 1.167 39.534 38.460 -0.155 0.000 1.183 440 Y HN 0.427 nan 8.280 nan 0.000 0.433 441 H N 4.071 123.056 119.070 -0.142 0.000 2.856 441 H HA 0.550 5.145 4.556 0.064 0.000 0.355 441 H C -1.145 174.075 175.328 -0.180 0.000 1.079 441 H CA -0.726 55.159 56.048 -0.272 0.000 1.240 441 H CB 1.685 31.314 29.762 -0.221 0.000 1.701 441 H HN 0.889 nan 8.280 nan 0.000 0.527 442 N N 0.498 119.098 118.700 -0.166 0.000 3.378 442 N HA 0.183 4.961 4.740 0.064 0.000 0.294 442 N C -1.193 174.090 175.510 -0.379 0.000 1.544 442 N CA -0.931 51.988 53.050 -0.220 0.000 0.872 442 N CB 0.654 39.156 38.487 0.024 0.000 1.670 442 N HN 0.291 nan 8.380 nan 0.000 0.551 443 F N -0.405 119.586 119.950 0.068 0.000 2.641 443 F HA 0.354 4.915 4.527 0.057 0.000 0.302 443 F C 0.374 176.215 175.800 0.068 0.000 1.098 443 F CA -0.361 57.674 58.000 0.059 0.000 1.318 443 F CB 0.170 39.199 39.000 0.048 0.000 1.035 443 F HN 0.145 nan 8.300 nan 0.000 0.551 444 Q N 1.776 121.679 119.800 0.172 0.000 2.314 444 Q HA 0.393 4.772 4.340 0.064 0.000 0.258 444 Q C 0.059 176.131 176.000 0.120 0.000 0.954 444 Q CA -0.009 55.874 55.803 0.133 0.000 0.890 444 Q CB 1.034 29.824 28.738 0.088 0.000 1.210 444 Q HN 0.132 nan 8.270 nan 0.000 0.410 445 R N 1.868 122.434 120.500 0.109 0.000 2.836 445 R HA 0.383 4.762 4.340 0.064 0.000 0.269 445 R C -0.582 175.764 176.300 0.077 0.000 1.010 445 R CA -0.692 55.464 56.100 0.093 0.000 0.930 445 R CB 1.194 31.552 30.300 0.096 0.000 1.218 445 R HN 0.702 nan 8.270 nan 0.000 0.473 446 D N -0.227 120.211 120.400 0.064 0.000 3.369 446 D HA -0.183 4.495 4.640 0.064 0.000 0.217 446 D C 0.413 176.745 176.300 0.053 0.000 1.532 446 D CA 1.995 56.025 54.000 0.051 0.000 1.126 446 D CB -1.120 39.709 40.800 0.048 0.000 0.683 446 D HN 0.924 nan 8.370 nan 0.000 0.827 447 G N -1.374 107.455 108.800 0.049 0.000 2.730 447 G HA2 0.193 4.191 3.960 0.064 0.000 0.686 447 G HA3 0.193 4.191 3.960 0.064 0.000 0.686 447 G C -0.278 174.654 174.900 0.053 0.000 1.343 447 G CA 0.056 45.188 45.100 0.053 0.000 0.826 447 G HN 0.805 nan 8.290 nan 0.000 0.582 448 M N 0.960 120.597 119.600 0.062 0.000 2.250 448 M HA 0.453 4.971 4.480 0.064 0.000 0.337 448 M C 1.109 177.484 176.300 0.124 0.000 1.161 448 M CA 1.246 56.592 55.300 0.076 0.000 1.088 448 M CB -0.556 32.090 32.600 0.076 0.000 1.639 448 M HN 1.555 nan 8.290 nan 0.000 0.447 449 H N 0.991 120.064 119.070 0.004 0.000 2.527 449 H HA -0.202 4.391 4.556 0.061 0.000 0.321 449 H C -0.670 174.648 175.328 -0.017 0.000 1.092 449 H CA 0.663 56.710 56.048 -0.003 0.000 1.118 449 H CB -0.581 29.181 29.762 0.000 0.000 1.536 449 H HN 0.619 nan 8.280 nan 0.000 0.407 450 R N 1.707 122.231 120.500 0.041 0.000 2.370 450 R HA 0.051 4.430 4.340 0.064 0.000 0.309 450 R C 0.852 177.154 176.300 0.002 0.000 1.059 450 R CA 0.058 56.173 56.100 0.025 0.000 0.981 450 R CB 0.311 30.621 30.300 0.017 0.000 0.972 450 R HN 0.416 nan 8.270 nan 0.000 0.437 451 M N 2.677 122.291 119.600 0.023 0.000 2.557 451 M HA 0.227 4.745 4.480 0.064 0.000 0.262 451 M C 0.885 177.183 176.300 -0.003 0.000 1.168 451 M CA 0.978 56.286 55.300 0.014 0.000 1.194 451 M CB -0.828 31.791 32.600 0.032 0.000 1.311 451 M HN 0.725 nan 8.290 nan 0.000 0.489 452 G N 2.202 111.004 108.800 0.004 0.000 2.299 452 G HA2 0.335 4.333 3.960 0.064 0.000 0.256 452 G HA3 0.335 4.333 3.960 0.064 0.000 0.256 452 G C -0.299 174.595 174.900 -0.011 0.000 1.259 452 G CA -0.287 44.810 45.100 -0.005 0.000 0.943 452 G HN 0.330 nan 8.290 nan 0.000 0.479 453 I N 3.130 123.687 120.570 -0.022 0.000 2.307 453 I HA 0.095 4.303 4.170 0.064 0.000 0.287 453 I C -0.239 175.865 176.117 -0.021 0.000 1.054 453 I CA -0.547 60.743 61.300 -0.016 0.000 1.218 453 I CB 0.886 38.876 38.000 -0.016 0.000 1.398 453 I HN 0.355 nan 8.210 nan 0.000 0.475 454 D N 4.771 125.164 120.400 -0.012 0.000 2.351 454 D HA 0.070 4.748 4.640 0.064 0.000 0.251 454 D C 1.203 177.504 176.300 0.000 0.000 1.137 454 D CA 0.233 54.224 54.000 -0.014 0.000 0.879 454 D CB 1.822 42.621 40.800 -0.001 0.000 1.181 454 D HN 0.565 nan 8.370 nan 0.000 0.448 455 T N -0.865 113.686 114.554 -0.005 0.000 3.040 455 T HA -0.048 4.340 4.350 0.064 0.000 0.250 455 T C 0.826 175.535 174.700 0.015 0.000 1.058 455 T CA -0.532 61.570 62.100 0.003 0.000 0.988 455 T CB 0.164 69.027 68.868 -0.007 0.000 0.993 455 T HN 0.107 nan 8.240 nan 0.000 0.519 456 N N 3.530 122.240 118.700 0.017 0.000 2.411 456 N HA 0.087 4.865 4.740 0.064 0.000 0.265 456 N C -1.499 174.050 175.510 0.065 0.000 1.266 456 N CA -1.514 51.559 53.050 0.039 0.000 0.889 456 N CB 1.482 39.991 38.487 0.035 0.000 1.069 456 N HN 0.095 nan 8.380 nan 0.000 0.476 457 P HA -0.039 nan 4.420 nan 0.000 0.218 457 P C -0.419 176.943 177.300 0.104 0.000 1.148 457 P CA 0.941 64.087 63.100 0.077 0.000 0.822 457 P CB 0.171 31.912 31.700 0.068 0.000 0.784 458 A N 0.806 123.679 122.820 0.088 0.000 2.301 458 A HA 0.404 4.762 4.320 0.064 0.000 0.312 458 A C 0.505 178.200 177.584 0.186 0.000 1.182 458 A CA -0.654 51.392 52.037 0.016 0.000 0.826 458 A CB -0.116 18.739 19.000 -0.241 0.000 1.134 458 A HN 0.306 nan 8.150 nan 0.000 0.501 459 N N 0.401 119.246 118.700 0.241 0.000 2.416 459 N HA 0.378 5.156 4.740 0.064 0.000 0.267 459 N C -0.903 174.788 175.510 0.301 0.000 1.294 459 N CA -0.378 52.898 53.050 0.377 0.000 0.891 459 N CB 0.332 38.985 38.487 0.276 0.000 1.238 459 N HN 0.694 nan 8.380 nan 0.000 0.508 460 Y N -1.161 119.025 120.300 -0.189 0.000 2.638 460 Y HA 0.671 5.257 4.550 0.060 0.000 0.335 460 Y C -1.602 173.691 175.900 -1.012 0.000 1.155 460 Y CA -1.358 56.446 58.100 -0.493 0.000 1.046 460 Y CB 1.019 39.349 38.460 -0.218 0.000 1.303 460 Y HN 0.076 nan 8.280 nan 0.000 0.460 461 E N 0.738 120.476 120.200 -0.771 0.000 2.366 461 E HA 0.632 5.021 4.350 0.064 0.000 0.278 461 E C -3.224 173.268 176.600 -0.179 0.000 0.923 461 E CA -2.007 54.025 56.400 -0.613 0.000 0.761 461 E CB 1.691 30.964 29.700 -0.712 0.000 1.231 461 E HN 0.554 nan 8.360 nan 0.000 0.443 462 P HA 0.281 nan 4.420 nan 0.000 0.275 462 P C -1.252 176.003 177.300 -0.075 0.000 1.227 462 P CA -0.405 62.628 63.100 -0.110 0.000 0.781 462 P CB 0.451 32.120 31.700 -0.051 0.000 0.906 463 N N -1.264 117.317 118.700 -0.199 0.000 2.229 463 N HA 0.344 5.122 4.740 0.064 0.000 0.298 463 N C 0.260 175.722 175.510 -0.080 0.000 1.114 463 N CA -0.773 52.167 53.050 -0.183 0.000 0.776 463 N CB 1.486 39.565 38.487 -0.680 0.000 1.501 463 N HN 0.174 nan 8.380 nan 0.000 0.474 464 S N 0.839 116.542 115.700 0.005 0.000 2.497 464 S HA -0.002 4.506 4.470 0.064 0.000 0.218 464 S C 1.581 176.195 174.600 0.023 0.000 1.023 464 S CA -0.003 58.200 58.200 0.006 0.000 0.913 464 S CB -0.777 62.438 63.200 0.024 0.000 0.800 464 S HN 0.717 nan 8.310 nan 0.000 0.505 465 I N -0.525 120.068 120.570 0.038 0.000 2.756 465 I HA 0.159 4.367 4.170 0.064 0.000 0.262 465 I C 1.321 177.470 176.117 0.053 0.000 1.225 465 I CA 1.421 62.754 61.300 0.055 0.000 1.472 465 I CB -0.384 37.669 38.000 0.088 0.000 1.094 465 I HN 0.199 nan 8.210 nan 0.000 0.454 466 N N 1.062 119.790 118.700 0.047 0.000 2.291 466 N HA 0.036 4.814 4.740 0.064 0.000 0.244 466 N C -0.100 175.511 175.510 0.169 0.000 1.216 466 N CA -0.044 53.072 53.050 0.111 0.000 0.879 466 N CB 0.046 38.612 38.487 0.131 0.000 1.167 466 N HN 0.214 nan 8.380 nan 0.000 0.515 467 D N 0.787 121.235 120.400 0.080 0.000 2.751 467 D HA -0.255 4.424 4.640 0.064 0.000 0.233 467 D C -0.114 176.073 176.300 -0.187 0.000 1.149 467 D CA 1.015 55.027 54.000 0.019 0.000 0.682 467 D CB -1.413 39.475 40.800 0.145 0.000 1.068 467 D HN 0.469 nan 8.370 nan 0.000 0.429 468 N N -1.589 117.025 118.700 -0.144 0.000 2.753 468 N HA -0.249 4.529 4.740 0.064 0.000 0.251 468 N C -0.803 174.608 175.510 -0.166 0.000 1.097 468 N CA 1.411 54.347 53.050 -0.191 0.000 0.786 468 N CB -1.273 37.054 38.487 -0.267 0.000 1.137 468 N HN 0.549 nan 8.380 nan 0.000 0.566 469 W N 0.840 122.189 121.300 0.081 0.000 2.381 469 W HA 0.438 5.135 4.660 0.062 0.000 0.329 469 W C -1.649 174.904 176.519 0.057 0.000 1.157 469 W CA -1.674 55.700 57.345 0.049 0.000 1.240 469 W CB 0.572 30.012 29.460 -0.033 0.000 1.199 469 W HN -0.027 nan 8.180 nan 0.000 0.579 470 P HA 0.181 nan 4.420 nan 0.000 0.275 470 P C -0.686 176.750 177.300 0.227 0.000 1.228 470 P CA -0.097 63.149 63.100 0.244 0.000 0.786 470 P CB 0.932 32.634 31.700 0.003 0.000 0.927 471 R N 1.242 121.855 120.500 0.188 0.000 2.598 471 R HA 0.342 4.721 4.340 0.064 0.000 0.279 471 R C 0.341 176.675 176.300 0.056 0.000 0.984 471 R CA -0.846 55.243 56.100 -0.018 0.000 0.999 471 R CB 1.045 31.117 30.300 -0.379 0.000 1.114 471 R HN 0.481 nan 8.270 nan 0.000 0.493 472 E N 0.694 120.913 120.200 0.032 0.000 2.418 472 E HA 0.048 4.436 4.350 0.064 0.000 0.261 472 E C -0.546 176.078 176.600 0.039 0.000 1.070 472 E CA 0.565 56.996 56.400 0.052 0.000 0.931 472 E CB 0.670 30.392 29.700 0.037 0.000 0.954 472 E HN 0.358 nan 8.360 nan 0.000 0.439 473 T N 3.326 117.915 114.554 0.058 0.000 2.841 473 T HA 0.335 4.724 4.350 0.064 0.000 0.285 473 T C -2.456 172.269 174.700 0.043 0.000 0.991 473 T CA -1.633 60.499 62.100 0.054 0.000 0.966 473 T CB 1.429 70.341 68.868 0.073 0.000 0.962 473 T HN 0.239 nan 8.240 nan 0.000 0.438 474 P HA 0.214 nan 4.420 nan 0.000 0.268 474 P C -2.464 174.844 177.300 0.014 0.000 1.208 474 P CA -1.204 61.906 63.100 0.015 0.000 0.777 474 P CB -0.395 31.309 31.700 0.007 0.000 0.875 475 P HA 0.297 nan 4.420 nan 0.000 0.272 475 P C 0.002 177.292 177.300 -0.017 0.000 1.223 475 P CA 0.354 63.442 63.100 -0.021 0.000 0.784 475 P CB 0.735 32.402 31.700 -0.056 0.000 0.923 476 G N 0.830 109.619 108.800 -0.019 0.000 2.488 476 G HA2 0.398 4.397 3.960 0.064 0.000 0.301 476 G HA3 0.398 4.397 3.960 0.064 0.000 0.301 476 G C -2.566 172.324 174.900 -0.017 0.000 1.339 476 G CA -0.730 44.361 45.100 -0.014 0.000 0.803 476 G HN 0.109 nan 8.290 nan 0.000 0.482 477 P HA 0.099 nan 4.420 nan 0.000 0.217 477 P C 0.246 177.541 177.300 -0.007 0.000 1.150 477 P CA 1.169 64.260 63.100 -0.014 0.000 0.832 477 P CB 0.201 31.895 31.700 -0.010 0.000 0.787 478 K N -1.483 118.920 120.400 0.005 0.000 2.498 478 K HA 0.395 4.754 4.320 0.064 0.000 0.254 478 K C -0.168 176.448 176.600 0.027 0.000 0.933 478 K CA -0.850 55.447 56.287 0.016 0.000 0.806 478 K CB 1.902 34.413 32.500 0.018 0.000 1.301 478 K HN -0.332 nan 8.250 nan 0.000 0.432 479 R N -0.419 120.105 120.500 0.039 0.000 3.758 479 R HA -0.150 4.228 4.340 0.064 0.000 0.299 479 R C -0.037 176.293 176.300 0.051 0.000 1.182 479 R CA 0.991 57.121 56.100 0.050 0.000 0.809 479 R CB -2.219 28.110 30.300 0.048 0.000 1.249 479 R HN 0.942 nan 8.270 nan 0.000 0.497 480 G N -0.794 108.031 108.800 0.042 0.000 2.488 480 G HA2 0.612 4.610 3.960 0.064 0.000 0.318 480 G HA3 0.612 4.610 3.960 0.064 0.000 0.318 480 G C 0.358 175.292 174.900 0.057 0.000 1.188 480 G CA 0.078 45.200 45.100 0.038 0.000 0.944 480 G HN 0.247 nan 8.290 nan 0.000 0.495 481 G N -1.198 107.637 108.800 0.059 0.000 2.569 481 G HA2 0.394 4.393 3.960 0.064 0.000 0.249 481 G HA3 0.394 4.393 3.960 0.064 0.000 0.249 481 G C -0.599 174.360 174.900 0.098 0.000 1.216 481 G CA -0.518 44.639 45.100 0.094 0.000 0.845 481 G HN 0.478 nan 8.290 nan 0.000 0.568 482 F N 0.522 120.489 119.950 0.028 0.000 2.467 482 F HA 0.395 4.963 4.527 0.069 0.000 0.362 482 F C 0.522 176.338 175.800 0.027 0.000 1.090 482 F CA -0.242 57.770 58.000 0.021 0.000 1.202 482 F CB 0.872 39.887 39.000 0.025 0.000 1.113 482 F HN 0.439 nan 8.300 nan 0.000 0.541 483 E N 4.263 124.111 120.200 -0.587 0.000 2.246 483 E HA 0.285 4.674 4.350 0.064 0.000 0.266 483 E C -1.135 175.145 176.600 -0.533 0.000 0.880 483 E CA -0.770 55.436 56.400 -0.322 0.000 0.762 483 E CB 1.593 31.189 29.700 -0.174 0.000 1.180 483 E HN 0.628 nan 8.360 nan 0.000 0.416 484 S N 2.617 118.227 115.700 -0.150 0.000 2.562 484 S HA -0.008 4.501 4.470 0.064 0.000 0.281 484 S C -0.518 174.068 174.600 -0.023 0.000 1.333 484 S CA -0.305 57.887 58.200 -0.014 0.000 1.052 484 S CB 0.098 63.415 63.200 0.195 0.000 0.884 484 S HN 0.464 nan 8.310 nan 0.000 0.506 485 Y N 2.707 122.945 120.300 -0.103 0.000 2.717 485 Y HA -0.032 4.555 4.550 0.063 0.000 0.330 485 Y C 0.853 176.736 175.900 -0.029 0.000 1.217 485 Y CA 0.184 58.234 58.100 -0.084 0.000 1.506 485 Y CB 0.172 38.583 38.460 -0.082 0.000 1.268 485 Y HN 0.582 nan 8.280 nan 0.000 0.561 486 Q N 5.327 124.767 119.800 -0.600 0.000 3.254 486 Q HA 0.026 4.405 4.340 0.064 0.000 0.315 486 Q C -0.230 175.451 176.000 -0.532 0.000 1.405 486 Q CA -0.082 55.460 55.803 -0.436 0.000 0.966 486 Q CB -0.177 28.382 28.738 -0.299 0.000 1.706 486 Q HN 0.649 nan 8.270 nan 0.000 0.525 487 E N 1.504 121.476 120.200 -0.381 0.000 2.414 487 E HA -0.009 4.379 4.350 0.064 0.000 0.263 487 E C -0.237 176.329 176.600 -0.056 0.000 1.000 487 E CA -0.456 55.868 56.400 -0.128 0.000 0.914 487 E CB 0.642 30.419 29.700 0.127 0.000 0.948 487 E HN 0.127 nan 8.360 nan 0.000 0.444 488 R N 3.251 123.743 120.500 -0.015 0.000 2.347 488 R HA 0.196 4.575 4.340 0.064 0.000 0.304 488 R C -1.483 174.841 176.300 0.040 0.000 1.072 488 R CA -0.206 55.897 56.100 0.006 0.000 0.980 488 R CB 0.762 31.073 30.300 0.019 0.000 0.986 488 R HN 0.293 nan 8.270 nan 0.000 0.448 489 V N 5.134 125.065 119.914 0.027 0.000 2.384 489 V HA 0.410 4.568 4.120 0.064 0.000 0.287 489 V C -0.453 175.655 176.094 0.024 0.000 1.020 489 V CA -0.537 61.784 62.300 0.035 0.000 0.850 489 V CB 1.548 33.389 31.823 0.030 0.000 0.987 489 V HN 0.820 nan 8.190 nan 0.000 0.436 490 E N 2.877 123.094 120.200 0.028 0.000 2.317 490 E HA 0.679 5.068 4.350 0.064 0.000 0.270 490 E C -0.139 176.469 176.600 0.013 0.000 0.899 490 E CA -0.338 56.073 56.400 0.017 0.000 0.814 490 E CB 2.160 31.870 29.700 0.016 0.000 1.296 490 E HN 0.982 nan 8.360 nan 0.000 0.404 491 G N 2.364 111.167 108.800 0.005 0.000 2.325 491 G HA2 0.143 4.141 3.960 0.064 0.000 0.297 491 G HA3 0.143 4.141 3.960 0.064 0.000 0.297 491 G C -1.441 173.455 174.900 -0.007 0.000 1.448 491 G CA -1.043 44.056 45.100 -0.001 0.000 0.838 491 G HN 0.355 nan 8.290 nan 0.000 0.579 492 N N 0.009 118.702 118.700 -0.012 0.000 2.493 492 N HA 0.416 5.195 4.740 0.064 0.000 0.275 492 N C -0.151 175.348 175.510 -0.019 0.000 1.186 492 N CA -0.504 52.537 53.050 -0.014 0.000 0.978 492 N CB 0.947 39.424 38.487 -0.016 0.000 1.184 492 N HN 0.398 nan 8.380 nan 0.000 0.487 493 K N 1.170 121.558 120.400 -0.020 0.000 2.307 493 K HA 0.154 4.512 4.320 0.064 0.000 0.285 493 K C -0.730 175.850 176.600 -0.033 0.000 1.073 493 K CA -0.142 56.129 56.287 -0.026 0.000 0.996 493 K CB -0.311 32.174 32.500 -0.025 0.000 0.994 493 K HN 0.343 nan 8.250 nan 0.000 0.452 494 V N 0.302 120.192 119.914 -0.041 0.000 2.876 494 V HA 0.476 4.635 4.120 0.064 0.000 0.312 494 V C -0.377 175.678 176.094 -0.064 0.000 1.085 494 V CA -1.316 60.955 62.300 -0.048 0.000 0.945 494 V CB 2.032 33.828 31.823 -0.045 0.000 1.017 494 V HN 0.602 nan 8.190 nan 0.000 0.428 495 R N 2.337 122.795 120.500 -0.070 0.000 2.755 495 R HA 0.552 4.930 4.340 0.064 0.000 0.268 495 R C -0.477 175.778 176.300 -0.076 0.000 1.295 495 R CA -0.098 55.949 56.100 -0.090 0.000 1.379 495 R CB 0.666 30.902 30.300 -0.108 0.000 1.170 495 R HN 0.929 nan 8.270 nan 0.000 0.584 496 E N 1.782 121.933 120.200 -0.081 0.000 2.321 496 E HA 0.238 4.626 4.350 0.064 0.000 0.278 496 E C -1.223 175.310 176.600 -0.111 0.000 0.902 496 E CA -1.030 55.324 56.400 -0.077 0.000 0.758 496 E CB 1.689 31.351 29.700 -0.064 0.000 1.213 496 E HN 0.100 nan 8.360 nan 0.000 0.426 497 R N 1.597 122.035 120.500 -0.103 0.000 2.438 497 R HA 0.206 4.584 4.340 0.064 0.000 0.287 497 R C -0.490 175.689 176.300 -0.202 0.000 1.077 497 R CA 0.085 56.082 56.100 -0.173 0.000 1.034 497 R CB 1.186 31.440 30.300 -0.076 0.000 0.993 497 R HN 0.388 nan 8.270 nan 0.000 0.459 498 S N 4.712 120.177 115.700 -0.392 0.000 2.549 498 S HA 0.129 4.637 4.470 0.064 0.000 0.283 498 S C -1.531 173.038 174.600 -0.051 0.000 1.320 498 S CA -1.221 56.846 58.200 -0.222 0.000 1.058 498 S CB 0.680 63.717 63.200 -0.273 0.000 0.882 498 S HN 0.549 nan 8.310 nan 0.000 0.498 499 P HA -0.118 nan 4.420 nan 0.000 0.218 499 P C 1.586 178.936 177.300 0.084 0.000 1.148 499 P CA 1.411 64.533 63.100 0.037 0.000 0.822 499 P CB -0.178 31.536 31.700 0.023 0.000 0.784 500 S N -1.922 113.868 115.700 0.150 0.000 2.442 500 S HA -0.132 4.376 4.470 0.064 0.000 0.236 500 S C 1.503 176.251 174.600 0.246 0.000 1.007 500 S CA 0.942 59.258 58.200 0.193 0.000 0.965 500 S CB -1.449 61.899 63.200 0.247 0.000 0.773 500 S HN -0.023 nan 8.310 nan 0.000 0.504 501 F N 2.259 122.194 119.950 -0.026 0.000 2.789 501 F HA 0.373 4.938 4.527 0.064 0.000 0.300 501 F C 2.024 177.742 175.800 -0.137 0.000 1.132 501 F CA -0.736 57.240 58.000 -0.040 0.000 1.404 501 F CB -0.734 38.275 39.000 0.016 0.000 1.114 501 F HN 0.348 nan 8.300 nan 0.000 0.584 502 G N 0.554 109.345 108.800 -0.015 0.000 3.471 502 G HA2 0.075 4.074 3.960 0.064 0.000 0.254 502 G HA3 0.075 4.074 3.960 0.064 0.000 0.254 502 G C -0.016 174.452 174.900 -0.720 0.000 1.199 502 G CA 0.151 45.065 45.100 -0.310 0.000 1.683 502 G HN 0.058 nan 8.290 nan 0.000 0.625 503 E N 0.074 119.757 120.200 -0.860 0.000 2.274 503 E HA 0.314 4.703 4.350 0.064 0.000 0.269 503 E C -0.926 175.239 176.600 -0.724 0.000 0.891 503 E CA -0.757 55.225 56.400 -0.697 0.000 0.784 503 E CB 1.489 31.034 29.700 -0.259 0.000 1.225 503 E HN 0.212 nan 8.360 nan 0.000 0.412 504 Y N 2.611 122.692 120.300 -0.365 0.000 2.471 504 Y HA 0.192 4.780 4.550 0.063 0.000 0.249 504 Y C 0.724 176.371 175.900 -0.422 0.000 1.116 504 Y CA -0.121 57.693 58.100 -0.476 0.000 1.240 504 Y CB 0.396 38.429 38.460 -0.711 0.000 1.251 504 Y HN 0.418 nan 8.280 nan 0.000 0.527 505 Y N -1.190 119.199 120.300 0.149 0.000 2.498 505 Y HA 0.094 4.683 4.550 0.065 0.000 0.259 505 Y C 2.393 178.356 175.900 0.105 0.000 1.086 505 Y CA 0.130 58.310 58.100 0.133 0.000 1.287 505 Y CB -0.355 38.189 38.460 0.141 0.000 1.146 505 Y HN 0.072 nan 8.280 nan 0.000 0.523 506 S N -0.855 114.975 115.700 0.218 0.000 2.387 506 S HA -0.166 4.343 4.470 0.064 0.000 0.226 506 S C 1.599 176.271 174.600 0.119 0.000 1.026 506 S CA 1.272 59.581 58.200 0.182 0.000 0.972 506 S CB -0.741 62.572 63.200 0.187 0.000 0.814 506 S HN 0.534 nan 8.310 nan 0.000 0.477 507 H N 2.483 121.464 119.070 -0.149 0.000 2.363 507 H HA 0.054 4.649 4.556 0.064 0.000 0.301 507 H C -0.525 174.609 175.328 -0.322 0.000 1.074 507 H CA 1.388 57.195 56.048 -0.402 0.000 1.354 507 H CB -1.295 27.963 29.762 -0.840 0.000 1.397 507 H HN 0.416 nan 8.280 nan 0.000 0.516 508 P HA -0.180 nan 4.420 nan 0.000 0.215 508 P C 1.647 179.127 177.300 0.300 0.000 1.157 508 P CA 1.496 64.744 63.100 0.246 0.000 0.874 508 P CB -0.129 31.743 31.700 0.287 0.000 0.790 509 R N -0.353 120.276 120.500 0.215 0.000 2.081 509 R HA -0.132 4.247 4.340 0.064 0.000 0.235 509 R C 2.160 178.584 176.300 0.207 0.000 1.131 509 R CA 1.171 57.401 56.100 0.218 0.000 0.960 509 R CB -1.073 29.319 30.300 0.154 0.000 0.856 509 R HN 0.061 nan 8.270 nan 0.000 0.436 510 L N 0.507 121.796 121.223 0.109 0.000 2.042 510 L HA -0.138 4.241 4.340 0.064 0.000 0.210 510 L C 1.969 178.889 176.870 0.084 0.000 1.076 510 L CA 1.745 56.613 54.840 0.047 0.000 0.749 510 L CB -0.739 41.275 42.059 -0.076 0.000 0.893 510 L HN 0.250 nan 8.230 nan 0.000 0.432 511 F N -0.791 119.177 119.950 0.031 0.000 2.102 511 F HA -0.266 4.300 4.527 0.065 0.000 0.298 511 F C 2.339 178.134 175.800 -0.008 0.000 1.105 511 F CA 2.122 60.115 58.000 -0.013 0.000 1.239 511 F CB -0.631 38.390 39.000 0.034 0.000 0.991 511 F HN 0.377 nan 8.300 nan 0.000 0.474 512 W N 1.433 122.703 121.300 -0.049 0.000 2.335 512 W HA -0.251 4.447 4.660 0.064 0.000 0.311 512 W C 1.681 178.068 176.519 -0.221 0.000 1.213 512 W CA 1.849 59.111 57.345 -0.137 0.000 1.274 512 W CB -0.678 28.799 29.460 0.029 0.000 1.148 512 W HN 0.092 nan 8.180 nan 0.000 0.498 513 L N 1.011 122.143 121.223 -0.152 0.000 2.376 513 L HA -0.135 4.243 4.340 0.064 0.000 0.219 513 L C 2.324 179.001 176.870 -0.323 0.000 1.133 513 L CA 0.974 55.658 54.840 -0.259 0.000 0.816 513 L CB -0.679 41.352 42.059 -0.046 0.000 0.933 513 L HN -0.154 nan 8.230 nan 0.000 0.449 514 S N -1.441 114.050 115.700 -0.350 0.000 2.558 514 S HA 0.055 4.564 4.470 0.064 0.000 0.217 514 S C 0.727 175.046 174.600 -0.467 0.000 0.975 514 S CA 0.090 58.086 58.200 -0.341 0.000 0.912 514 S CB 0.037 63.070 63.200 -0.279 0.000 0.776 514 S HN 0.301 nan 8.310 nan 0.000 0.526 515 Q N 2.218 121.633 119.800 -0.642 0.000 2.260 515 Q HA 0.286 4.664 4.340 0.064 0.000 0.242 515 Q C 0.599 176.211 176.000 -0.647 0.000 0.932 515 Q CA -0.114 55.275 55.803 -0.690 0.000 0.891 515 Q CB 0.426 28.680 28.738 -0.807 0.000 1.222 515 Q HN 0.416 nan 8.270 nan 0.000 0.453 516 T N -1.757 112.377 114.554 -0.699 0.000 2.766 516 T HA 0.152 4.541 4.350 0.064 0.000 0.295 516 T C -1.693 172.543 174.700 -0.773 0.000 1.024 516 T CA -1.318 60.342 62.100 -0.732 0.000 1.018 516 T CB 0.247 68.457 68.868 -1.097 0.000 1.002 516 T HN 0.232 nan 8.240 nan 0.000 0.532 517 P HA -0.049 nan 4.420 nan 0.000 0.215 517 P C 1.441 178.510 177.300 -0.385 0.000 1.153 517 P CA 1.149 64.018 63.100 -0.385 0.000 0.853 517 P CB -0.299 31.297 31.700 -0.172 0.000 0.788 518 F N -0.063 119.674 119.950 -0.356 0.000 2.325 518 F HA 0.091 4.656 4.527 0.064 0.000 0.299 518 F C 1.809 177.213 175.800 -0.660 0.000 1.090 518 F CA 0.712 58.423 58.000 -0.481 0.000 1.392 518 F CB -1.596 37.106 39.000 -0.496 0.000 1.053 518 F HN -0.099 nan 8.300 nan 0.000 0.521 519 E N 0.556 120.126 120.200 -1.050 0.000 2.106 519 E HA -0.184 4.204 4.350 0.064 0.000 0.192 519 E C 2.183 178.564 176.600 -0.366 0.000 0.984 519 E CA 1.221 57.258 56.400 -0.605 0.000 0.806 519 E CB -0.242 29.087 29.700 -0.619 0.000 0.750 519 E HN 0.617 nan 8.360 nan 0.000 0.458 520 Q N 0.390 119.898 119.800 -0.485 0.000 2.050 520 Q HA -0.165 4.213 4.340 0.064 0.000 0.202 520 Q C 2.314 178.331 176.000 0.028 0.000 0.980 520 Q CA 1.065 56.621 55.803 -0.411 0.000 0.840 520 Q CB -0.150 28.073 28.738 -0.858 0.000 0.898 520 Q HN 0.130 nan 8.270 nan 0.000 0.424 521 R N 0.399 120.879 120.500 -0.033 0.000 2.091 521 R HA -0.186 4.193 4.340 0.064 0.000 0.238 521 R C 1.684 178.145 176.300 0.268 0.000 1.136 521 R CA 1.773 57.951 56.100 0.131 0.000 0.959 521 R CB -0.278 30.073 30.300 0.085 0.000 0.856 521 R HN 0.517 nan 8.270 nan 0.000 0.437 522 H N -0.289 118.870 119.070 0.148 0.000 2.421 522 H HA -0.063 4.532 4.556 0.064 0.000 0.298 522 H C 2.227 177.665 175.328 0.183 0.000 1.087 522 H CA 1.225 57.376 56.048 0.171 0.000 1.330 522 H CB 0.032 29.903 29.762 0.181 0.000 1.388 522 H HN 0.234 nan 8.280 nan 0.000 0.526 523 I N 0.111 120.885 120.570 0.340 0.000 2.202 523 I HA -0.248 3.961 4.170 0.064 0.000 0.242 523 I C 2.314 178.703 176.117 0.453 0.000 1.091 523 I CA 0.721 62.254 61.300 0.388 0.000 1.368 523 I CB -0.157 38.168 38.000 0.540 0.000 1.058 523 I HN 0.084 nan 8.210 nan 0.000 0.410 524 V N 1.020 121.200 119.914 0.443 0.000 2.287 524 V HA -0.332 3.827 4.120 0.064 0.000 0.248 524 V C 2.077 178.345 176.094 0.289 0.000 1.053 524 V CA 2.192 64.706 62.300 0.357 0.000 1.027 524 V CB -0.664 31.332 31.823 0.288 0.000 0.646 524 V HN 0.422 nan 8.190 nan 0.000 0.447 525 D N 0.301 120.855 120.400 0.257 0.000 2.144 525 D HA -0.107 4.572 4.640 0.064 0.000 0.199 525 D C 2.138 178.521 176.300 0.139 0.000 0.984 525 D CA 1.526 55.648 54.000 0.203 0.000 0.834 525 D CB -0.631 40.295 40.800 0.210 0.000 0.955 525 D HN 0.485 nan 8.370 nan 0.000 0.465 526 G N 0.198 109.057 108.800 0.099 0.000 2.453 526 G HA2 -0.260 3.739 3.960 0.064 0.000 0.215 526 G HA3 -0.260 3.739 3.960 0.064 0.000 0.215 526 G C 1.468 176.362 174.900 -0.011 0.000 1.201 526 G CA 0.271 45.339 45.100 -0.054 0.000 0.784 526 G HN 0.163 nan 8.290 nan 0.000 0.545 527 F N 1.863 121.849 119.950 0.059 0.000 2.095 527 F HA -0.117 4.449 4.527 0.064 0.000 0.298 527 F C 3.208 178.915 175.800 -0.155 0.000 1.104 527 F CA 1.695 59.655 58.000 -0.065 0.000 1.232 527 F CB -0.445 38.526 39.000 -0.049 0.000 0.987 527 F HN 0.092 nan 8.300 nan 0.000 0.475 528 S N -0.049 115.742 115.700 0.151 0.000 2.356 528 S HA -0.228 4.280 4.470 0.064 0.000 0.223 528 S C 1.884 176.495 174.600 0.019 0.000 1.032 528 S CA 1.378 59.614 58.200 0.060 0.000 1.005 528 S CB -0.913 62.349 63.200 0.103 0.000 0.867 528 S HN 0.398 nan 8.310 nan 0.000 0.449 529 F N 2.603 122.518 119.950 -0.059 0.000 2.069 529 F HA -0.169 4.396 4.527 0.064 0.000 0.298 529 F C 2.458 178.200 175.800 -0.096 0.000 1.113 529 F CA 1.698 59.656 58.000 -0.070 0.000 1.214 529 F CB -0.268 38.633 39.000 -0.164 0.000 0.978 529 F HN 0.140 nan 8.300 nan 0.000 0.474 530 E N 0.544 120.662 120.200 -0.136 0.000 2.051 530 E HA -0.228 4.160 4.350 0.064 0.000 0.192 530 E C 2.352 178.722 176.600 -0.384 0.000 0.991 530 E CA 1.724 58.012 56.400 -0.187 0.000 0.799 530 E CB -0.566 29.170 29.700 0.060 0.000 0.748 530 E HN 0.490 nan 8.360 nan 0.000 0.449 531 L N 1.380 122.301 121.223 -0.504 0.000 2.275 531 L HA -0.122 4.256 4.340 0.064 0.000 0.215 531 L C 2.688 179.387 176.870 -0.284 0.000 1.119 531 L CA 1.031 55.577 54.840 -0.491 0.000 0.790 531 L CB -0.447 41.342 42.059 -0.450 0.000 0.919 531 L HN 0.144 nan 8.230 nan 0.000 0.443 532 S N -0.721 114.824 115.700 -0.258 0.000 2.447 532 S HA -0.096 4.412 4.470 0.064 0.000 0.233 532 S C 1.696 176.178 174.600 -0.196 0.000 1.006 532 S CA 0.560 58.641 58.200 -0.199 0.000 0.957 532 S CB -0.084 63.004 63.200 -0.187 0.000 0.773 532 S HN 0.282 nan 8.310 nan 0.000 0.507 533 K N 1.256 121.510 120.400 -0.242 0.000 2.404 533 K HA 0.344 4.702 4.320 0.064 0.000 0.194 533 K C -0.151 176.436 176.600 -0.023 0.000 1.023 533 K CA -0.028 56.177 56.287 -0.137 0.000 1.094 533 K CB 0.131 32.534 32.500 -0.162 0.000 0.841 533 K HN 0.313 nan 8.250 nan 0.000 0.523 534 V N 2.251 122.130 119.914 -0.058 0.000 2.408 534 V HA 0.007 4.165 4.120 0.064 0.000 0.267 534 V C 1.747 177.824 176.094 -0.028 0.000 1.047 534 V CA -0.105 62.190 62.300 -0.009 0.000 0.937 534 V CB 1.275 33.064 31.823 -0.057 0.000 0.999 534 V HN -0.117 nan 8.190 nan 0.000 0.472 535 V N 5.253 125.173 119.914 0.010 0.000 2.358 535 V HA -0.080 4.079 4.120 0.064 0.000 0.246 535 V C 1.354 177.430 176.094 -0.029 0.000 1.047 535 V CA 1.384 63.686 62.300 0.003 0.000 1.035 535 V CB -0.466 31.377 31.823 0.033 0.000 0.658 535 V HN 0.763 nan 8.190 nan 0.000 0.452 536 R N 0.941 121.397 120.500 -0.073 0.000 2.242 536 R HA 0.170 4.549 4.340 0.064 0.000 0.334 536 R C -1.693 174.480 176.300 -0.213 0.000 1.071 536 R CA -1.402 54.622 56.100 -0.128 0.000 0.922 536 R CB 0.521 30.676 30.300 -0.242 0.000 1.023 536 R HN 0.264 nan 8.270 nan 0.000 0.458 537 P HA -0.210 nan 4.420 nan 0.000 0.216 537 P C 0.813 178.076 177.300 -0.062 0.000 1.150 537 P CA 1.195 64.261 63.100 -0.057 0.000 0.837 537 P CB -0.036 31.668 31.700 0.006 0.000 0.786 538 Y N -1.075 119.224 120.300 -0.001 0.000 2.274 538 Y HA -0.112 4.476 4.550 0.064 0.000 0.290 538 Y C 1.980 177.885 175.900 0.007 0.000 1.145 538 Y CA 0.765 58.865 58.100 0.000 0.000 1.203 538 Y CB -1.820 36.640 38.460 0.000 0.000 0.984 538 Y HN -0.118 nan 8.280 nan 0.000 0.533 539 I N 0.976 121.104 120.570 -0.736 0.000 2.179 539 I HA -0.275 3.933 4.170 0.064 0.000 0.242 539 I C 2.561 178.591 176.117 -0.145 0.000 1.088 539 I CA 1.568 62.634 61.300 -0.391 0.000 1.357 539 I CB -0.429 37.342 38.000 -0.382 0.000 1.051 539 I HN 0.209 nan 8.210 nan 0.000 0.409 540 R N 0.898 121.305 120.500 -0.156 0.000 2.083 540 R HA -0.195 4.183 4.340 0.064 0.000 0.237 540 R C 2.133 178.387 176.300 -0.077 0.000 1.137 540 R CA 1.613 57.638 56.100 -0.126 0.000 0.951 540 R CB -0.529 29.693 30.300 -0.129 0.000 0.851 540 R HN 0.489 nan 8.270 nan 0.000 0.434 541 E N 0.625 120.801 120.200 -0.040 0.000 2.077 541 E HA -0.186 4.203 4.350 0.064 0.000 0.193 541 E C 2.177 178.783 176.600 0.010 0.000 0.989 541 E CA 1.056 57.451 56.400 -0.008 0.000 0.800 541 E CB -0.112 29.604 29.700 0.028 0.000 0.746 541 E HN 0.329 nan 8.360 nan 0.000 0.452 542 R N 0.483 121.006 120.500 0.038 0.000 2.081 542 R HA -0.109 4.269 4.340 0.064 0.000 0.235 542 R C 2.470 178.794 176.300 0.040 0.000 1.131 542 R CA 1.140 57.273 56.100 0.055 0.000 0.960 542 R CB -0.322 30.032 30.300 0.090 0.000 0.856 542 R HN 0.043 nan 8.270 nan 0.000 0.436 543 V N 0.381 120.316 119.914 0.035 0.000 2.427 543 V HA -0.195 3.964 4.120 0.064 0.000 0.248 543 V C 2.284 178.358 176.094 -0.033 0.000 1.051 543 V CA 1.466 63.798 62.300 0.054 0.000 1.048 543 V CB -0.289 31.592 31.823 0.097 0.000 0.666 543 V HN 0.129 nan 8.190 nan 0.000 0.456 544 V N 0.536 120.407 119.914 -0.071 0.000 2.343 544 V HA -0.311 3.848 4.120 0.064 0.000 0.247 544 V C 2.310 178.361 176.094 -0.072 0.000 1.051 544 V CA 2.443 64.677 62.300 -0.111 0.000 1.036 544 V CB -0.692 31.071 31.823 -0.099 0.000 0.654 544 V HN 0.647 nan 8.190 nan 0.000 0.451 545 D N -0.731 119.660 120.400 -0.015 0.000 2.123 545 D HA -0.205 4.473 4.640 0.064 0.000 0.196 545 D C 2.282 178.652 176.300 0.115 0.000 0.992 545 D CA 1.248 55.271 54.000 0.038 0.000 0.833 545 D CB -0.016 40.823 40.800 0.066 0.000 0.954 545 D HN 0.341 nan 8.370 nan 0.000 0.455 546 Q N -0.248 119.592 119.800 0.066 0.000 2.119 546 Q HA -0.084 4.294 4.340 0.064 0.000 0.201 546 Q C 2.586 178.604 176.000 0.030 0.000 0.972 546 Q CA 0.664 56.512 55.803 0.074 0.000 0.847 546 Q CB -0.256 28.541 28.738 0.100 0.000 0.903 546 Q HN 0.461 nan 8.270 nan 0.000 0.433 547 L N 0.150 121.329 121.223 -0.075 0.000 2.131 547 L HA -0.148 4.230 4.340 0.064 0.000 0.210 547 L C 2.360 179.114 176.870 -0.194 0.000 1.092 547 L CA 0.989 55.709 54.840 -0.199 0.000 0.759 547 L CB -0.662 41.172 42.059 -0.375 0.000 0.903 547 L HN 0.101 nan 8.230 nan 0.000 0.435 548 A N -0.827 121.902 122.820 -0.152 0.000 2.121 548 A HA -0.196 4.162 4.320 0.064 0.000 0.218 548 A C 1.768 179.171 177.584 -0.303 0.000 1.154 548 A CA 1.230 53.142 52.037 -0.208 0.000 0.679 548 A CB -0.702 18.184 19.000 -0.190 0.000 0.795 548 A HN 0.441 nan 8.150 nan 0.000 0.458 549 H N -1.164 117.692 119.070 -0.357 0.000 2.548 549 H HA 0.240 4.834 4.556 0.064 0.000 0.268 549 H C 1.629 176.682 175.328 -0.458 0.000 0.975 549 H CA 1.083 56.785 56.048 -0.578 0.000 1.195 549 H CB 0.082 29.052 29.762 -1.320 0.000 1.397 549 H HN 0.500 nan 8.280 nan 0.000 0.572 550 I N -1.105 119.363 120.570 -0.169 0.000 2.681 550 I HA 0.057 4.265 4.170 0.064 0.000 0.247 550 I C -0.121 175.926 176.117 -0.116 0.000 1.091 550 I CA 0.539 61.807 61.300 -0.053 0.000 1.442 550 I CB 0.593 38.586 38.000 -0.011 0.000 1.219 550 I HN 0.102 nan 8.210 nan 0.000 0.451 551 D N -0.967 119.292 120.400 -0.235 0.000 2.861 551 D HA 0.224 4.903 4.640 0.064 0.000 0.216 551 D C 0.155 176.291 176.300 -0.273 0.000 1.323 551 D CA -0.404 53.441 54.000 -0.258 0.000 0.917 551 D CB 1.337 41.862 40.800 -0.459 0.000 1.582 551 D HN -0.191 nan 8.370 nan 0.000 0.576 552 L N 2.419 123.541 121.223 -0.169 0.000 2.083 552 L HA -0.014 4.364 4.340 0.064 0.000 0.209 552 L C 2.263 179.056 176.870 -0.129 0.000 1.083 552 L CA 1.727 56.480 54.840 -0.146 0.000 0.752 552 L CB -1.039 40.960 42.059 -0.100 0.000 0.899 552 L HN 0.628 nan 8.230 nan 0.000 0.433 553 T N -0.341 114.164 114.554 -0.082 0.000 2.708 553 T HA -0.200 4.188 4.350 0.064 0.000 0.266 553 T C 1.861 176.510 174.700 -0.084 0.000 1.037 553 T CA 1.577 63.673 62.100 -0.007 0.000 1.146 553 T CB -0.350 68.604 68.868 0.144 0.000 0.865 553 T HN 0.223 nan 8.240 nan 0.000 0.435 554 L N 1.601 122.620 121.223 -0.341 0.000 1.994 554 L HA 0.087 4.466 4.340 0.064 0.000 0.208 554 L C 2.615 179.254 176.870 -0.384 0.000 1.071 554 L CA 2.097 56.560 54.840 -0.628 0.000 0.745 554 L CB -1.153 40.061 42.059 -1.408 0.000 0.892 554 L HN 0.200 nan 8.230 nan 0.000 0.431 555 A N -0.992 121.621 122.820 -0.345 0.000 1.883 555 A HA -0.284 4.075 4.320 0.064 0.000 0.217 555 A C 2.265 179.747 177.584 -0.170 0.000 1.186 555 A CA 2.043 53.924 52.037 -0.259 0.000 0.624 555 A CB -0.730 18.139 19.000 -0.219 0.000 0.822 555 A HN 0.694 nan 8.150 nan 0.000 0.444 556 Q N -1.001 118.722 119.800 -0.127 0.000 2.119 556 Q HA -0.073 4.305 4.340 0.064 0.000 0.201 556 Q C 2.403 178.375 176.000 -0.048 0.000 0.972 556 Q CA 1.241 57.000 55.803 -0.073 0.000 0.847 556 Q CB -0.326 28.383 28.738 -0.048 0.000 0.903 556 Q HN 0.707 nan 8.270 nan 0.000 0.433 557 A N -0.027 122.770 122.820 -0.038 0.000 1.898 557 A HA -0.116 4.242 4.320 0.064 0.000 0.216 557 A C 2.247 179.833 177.584 0.002 0.000 1.181 557 A CA 1.155 53.199 52.037 0.011 0.000 0.620 557 A CB -0.511 18.529 19.000 0.067 0.000 0.819 557 A HN 0.208 nan 8.150 nan 0.000 0.442 558 V N -0.084 119.802 119.914 -0.047 0.000 2.307 558 V HA -0.218 3.941 4.120 0.064 0.000 0.245 558 V C 3.071 179.132 176.094 -0.055 0.000 1.045 558 V CA 1.851 64.121 62.300 -0.051 0.000 1.024 558 V CB -1.316 30.420 31.823 -0.144 0.000 0.651 558 V HN 0.595 nan 8.190 nan 0.000 0.449 559 A N -0.081 122.694 122.820 -0.074 0.000 1.917 559 A HA -0.318 4.040 4.320 0.064 0.000 0.219 559 A C 2.343 179.908 177.584 -0.031 0.000 1.182 559 A CA 2.438 54.440 52.037 -0.059 0.000 0.633 559 A CB -0.566 18.397 19.000 -0.063 0.000 0.819 559 A HN 0.545 nan 8.150 nan 0.000 0.448 560 K N -0.484 119.905 120.400 -0.018 0.000 2.063 560 K HA -0.200 4.158 4.320 0.064 0.000 0.208 560 K C 1.527 178.132 176.600 0.008 0.000 1.048 560 K CA 1.669 57.956 56.287 -0.001 0.000 0.928 560 K CB -0.215 32.291 32.500 0.011 0.000 0.713 560 K HN 0.437 nan 8.250 nan 0.000 0.442 561 N N 0.687 119.396 118.700 0.015 0.000 2.381 561 N HA -0.102 4.677 4.740 0.064 0.000 0.182 561 N C 1.306 176.820 175.510 0.007 0.000 1.025 561 N CA 0.874 53.940 53.050 0.026 0.000 0.888 561 N CB 0.052 38.567 38.487 0.046 0.000 0.965 561 N HN 0.275 nan 8.380 nan 0.000 0.438 562 L N -0.854 120.360 121.223 -0.014 0.000 2.607 562 L HA 0.260 4.638 4.340 0.064 0.000 0.228 562 L C 0.933 177.790 176.870 -0.021 0.000 1.123 562 L CA -0.059 54.764 54.840 -0.029 0.000 0.890 562 L CB -0.133 41.892 42.059 -0.055 0.000 1.103 562 L HN 0.084 nan 8.230 nan 0.000 0.468 563 G N 1.548 110.341 108.800 -0.011 0.000 2.221 563 G HA2 -0.286 3.713 3.960 0.064 0.000 0.265 563 G HA3 -0.286 3.713 3.960 0.064 0.000 0.265 563 G C 0.020 174.913 174.900 -0.012 0.000 1.041 563 G CA 0.102 45.198 45.100 -0.007 0.000 0.807 563 G HN 0.324 nan 8.290 nan 0.000 0.502 564 I N -0.410 120.148 120.570 -0.020 0.000 2.460 564 I HA 0.516 4.724 4.170 0.064 0.000 0.298 564 I C 0.199 176.302 176.117 -0.023 0.000 0.989 564 I CA -0.909 60.377 61.300 -0.023 0.000 1.173 564 I CB 1.875 39.855 38.000 -0.034 0.000 1.338 564 I HN 0.137 nan 8.210 nan 0.000 0.456 565 E N 5.650 125.838 120.200 -0.020 0.000 2.151 565 E HA 0.424 4.812 4.350 0.064 0.000 0.275 565 E C -1.061 175.522 176.600 -0.027 0.000 0.936 565 E CA -0.540 55.848 56.400 -0.021 0.000 0.777 565 E CB 1.078 30.769 29.700 -0.014 0.000 1.108 565 E HN 0.396 nan 8.360 nan 0.000 0.401 566 L N 3.856 125.058 121.223 -0.035 0.000 2.456 566 L HA 0.169 4.548 4.340 0.064 0.000 0.272 566 L C 0.960 177.809 176.870 -0.035 0.000 1.189 566 L CA -0.235 54.580 54.840 -0.043 0.000 0.846 566 L CB 0.325 42.350 42.059 -0.057 0.000 1.111 566 L HN 0.713 nan 8.230 nan 0.000 0.475 567 T N -2.081 112.452 114.554 -0.034 0.000 2.726 567 T HA 0.045 4.433 4.350 0.064 0.000 0.294 567 T C 0.707 175.386 174.700 -0.035 0.000 1.013 567 T CA -0.704 61.379 62.100 -0.029 0.000 0.996 567 T CB 0.945 69.799 68.868 -0.023 0.000 1.016 567 T HN 0.496 nan 8.240 nan 0.000 0.529 568 D N 0.059 120.442 120.400 -0.029 0.000 2.144 568 D HA -0.016 4.663 4.640 0.064 0.000 0.200 568 D C 1.705 177.981 176.300 -0.040 0.000 0.978 568 D CA 0.910 54.892 54.000 -0.031 0.000 0.833 568 D CB -0.368 40.418 40.800 -0.023 0.000 0.961 568 D HN 0.590 nan 8.370 nan 0.000 0.470 569 D N 0.423 120.800 120.400 -0.038 0.000 2.097 569 D HA -0.127 4.551 4.640 0.064 0.000 0.195 569 D C 2.087 178.341 176.300 -0.076 0.000 0.989 569 D CA 0.890 54.862 54.000 -0.046 0.000 0.827 569 D CB -0.150 40.631 40.800 -0.032 0.000 0.966 569 D HN 0.268 nan 8.370 nan 0.000 0.456 570 Q N -0.296 119.457 119.800 -0.078 0.000 2.096 570 Q HA -0.096 4.282 4.340 0.064 0.000 0.204 570 Q C 2.353 178.276 176.000 -0.128 0.000 0.982 570 Q CA 0.773 56.506 55.803 -0.117 0.000 0.850 570 Q CB -0.139 28.545 28.738 -0.089 0.000 0.901 570 Q HN 0.332 nan 8.270 nan 0.000 0.422 571 L N 0.718 121.887 121.223 -0.091 0.000 2.275 571 L HA -0.135 4.244 4.340 0.064 0.000 0.215 571 L C 1.260 178.080 176.870 -0.084 0.000 1.119 571 L CA 0.488 55.278 54.840 -0.082 0.000 0.790 571 L CB -0.189 41.836 42.059 -0.057 0.000 0.919 571 L HN 0.207 nan 8.230 nan 0.000 0.443 572 N N -0.035 118.614 118.700 -0.085 0.000 2.268 572 N HA 0.219 4.997 4.740 0.064 0.000 0.204 572 N C 0.324 175.772 175.510 -0.104 0.000 1.124 572 N CA 0.098 53.101 53.050 -0.077 0.000 0.838 572 N CB 0.424 38.878 38.487 -0.056 0.000 0.994 572 N HN 0.252 nan 8.380 nan 0.000 0.489 573 I N 1.751 122.224 120.570 -0.162 0.000 2.598 573 I HA -0.045 4.163 4.170 0.064 0.000 0.284 573 I C 0.455 176.473 176.117 -0.165 0.000 1.140 573 I CA 0.302 61.467 61.300 -0.225 0.000 1.420 573 I CB 0.292 38.025 38.000 -0.446 0.000 1.387 573 I HN -0.159 nan 8.210 nan 0.000 0.553 574 T N 8.282 122.770 114.554 -0.111 0.000 2.888 574 T HA 0.148 4.537 4.350 0.064 0.000 0.301 574 T C -2.018 172.643 174.700 -0.064 0.000 1.001 574 T CA -0.814 61.248 62.100 -0.063 0.000 1.147 574 T CB 0.144 68.997 68.868 -0.024 0.000 0.931 574 T HN 0.407 nan 8.240 nan 0.000 0.541 575 P HA 0.228 nan 4.420 nan 0.000 0.269 575 P C -2.456 174.860 177.300 0.027 0.000 1.215 575 P CA -1.491 61.596 63.100 -0.022 0.000 0.780 575 P CB -0.485 31.213 31.700 -0.004 0.000 0.898 576 P HA 0.247 nan 4.420 nan 0.000 0.272 576 P C -2.468 174.887 177.300 0.092 0.000 1.230 576 P CA -1.386 61.785 63.100 0.118 0.000 0.788 576 P CB -1.038 30.779 31.700 0.195 0.000 0.949 577 P HA 0.114 nan 4.420 nan 0.000 0.270 577 P C -0.227 177.123 177.300 0.082 0.000 1.223 577 P CA 0.184 63.331 63.100 0.078 0.000 0.785 577 P CB 0.197 31.945 31.700 0.079 0.000 0.923 578 D N -0.201 120.239 120.400 0.067 0.000 2.368 578 D HA 0.067 4.746 4.640 0.064 0.000 0.240 578 D C -0.157 176.188 176.300 0.075 0.000 1.169 578 D CA 0.036 54.071 54.000 0.059 0.000 0.906 578 D CB 0.351 41.181 40.800 0.049 0.000 1.187 578 D HN -0.043 nan 8.370 nan 0.000 0.435 579 V N 2.684 122.631 119.914 0.055 0.000 2.356 579 V HA 0.052 4.210 4.120 0.064 0.000 0.258 579 V C 0.299 176.480 176.094 0.145 0.000 1.065 579 V CA -0.372 61.987 62.300 0.098 0.000 0.935 579 V CB -0.591 31.199 31.823 -0.056 0.000 1.061 579 V HN 0.613 nan 8.190 nan 0.000 0.484 580 N N 4.447 123.248 118.700 0.168 0.000 2.714 580 N HA -0.224 4.554 4.740 0.064 0.000 0.252 580 N C 1.161 176.726 175.510 0.091 0.000 1.014 580 N CA 0.921 54.051 53.050 0.134 0.000 0.735 580 N CB -0.898 37.703 38.487 0.190 0.000 0.924 580 N HN 1.264 nan 8.380 nan 0.000 0.540 581 G N -1.813 107.029 108.800 0.070 0.000 2.184 581 G HA2 -0.337 3.662 3.960 0.064 0.000 0.264 581 G HA3 -0.337 3.662 3.960 0.064 0.000 0.264 581 G C 0.136 175.064 174.900 0.046 0.000 0.975 581 G CA 0.410 45.540 45.100 0.050 0.000 0.642 581 G HN 0.410 nan 8.290 nan 0.000 0.536 582 L N 0.085 121.340 121.223 0.052 0.000 2.331 582 L HA 0.408 4.786 4.340 0.064 0.000 0.278 582 L C 1.488 178.372 176.870 0.022 0.000 1.106 582 L CA -0.257 54.605 54.840 0.036 0.000 0.824 582 L CB 1.179 43.261 42.059 0.038 0.000 1.142 582 L HN 0.056 nan 8.230 nan 0.000 0.443 583 K N 2.880 123.289 120.400 0.014 0.000 2.374 583 K HA 0.125 4.483 4.320 0.064 0.000 0.196 583 K C -0.464 176.129 176.600 -0.012 0.000 1.023 583 K CA 0.142 56.433 56.287 0.007 0.000 1.103 583 K CB 0.385 32.889 32.500 0.006 0.000 0.848 583 K HN 0.568 nan 8.250 nan 0.000 0.528 584 K N -0.608 119.781 120.400 -0.018 0.000 2.818 584 K HA 0.186 4.545 4.320 0.064 0.000 0.287 584 K C -2.204 174.379 176.600 -0.028 0.000 1.061 584 K CA -0.979 55.281 56.287 -0.044 0.000 0.858 584 K CB 0.991 33.446 32.500 -0.075 0.000 1.456 584 K HN -0.239 nan 8.250 nan 0.000 0.364 585 D N 1.698 122.076 120.400 -0.036 0.000 2.478 585 D HA 0.317 4.995 4.640 0.064 0.000 0.240 585 D C -2.153 174.135 176.300 -0.021 0.000 1.364 585 D CA -2.056 51.942 54.000 -0.003 0.000 0.987 585 D CB 2.132 42.952 40.800 0.033 0.000 1.328 585 D HN 0.258 nan 8.370 nan 0.000 0.584 586 P HA -0.124 nan 4.420 nan 0.000 0.221 586 P C 1.291 178.590 177.300 -0.003 0.000 1.145 586 P CA 0.935 64.012 63.100 -0.037 0.000 0.795 586 P CB 0.189 31.877 31.700 -0.020 0.000 0.775 587 S N -1.274 114.457 115.700 0.051 0.000 2.507 587 S HA -0.042 4.466 4.470 0.064 0.000 0.235 587 S C 1.692 176.382 174.600 0.150 0.000 0.988 587 S CA 0.671 58.938 58.200 0.111 0.000 0.944 587 S CB -1.355 61.936 63.200 0.152 0.000 0.762 587 S HN 0.135 nan 8.310 nan 0.000 0.526 588 L N 1.253 122.530 121.223 0.091 0.000 2.418 588 L HA 0.189 4.567 4.340 0.064 0.000 0.218 588 L C 1.516 178.310 176.870 -0.127 0.000 1.125 588 L CA 0.185 55.081 54.840 0.092 0.000 0.835 588 L CB -0.312 41.778 42.059 0.052 0.000 0.953 588 L HN 0.348 nan 8.230 nan 0.000 0.454 589 S N -0.421 115.176 115.700 -0.172 0.000 2.586 589 S HA 0.270 4.778 4.470 0.064 0.000 0.274 589 S C 1.085 175.580 174.600 -0.175 0.000 1.281 589 S CA -0.616 57.427 58.200 -0.261 0.000 1.035 589 S CB 1.350 64.391 63.200 -0.266 0.000 0.962 589 S HN 0.162 nan 8.310 nan 0.000 0.512 590 L N 2.973 124.014 121.223 -0.303 0.000 2.109 590 L HA 0.025 4.403 4.340 0.064 0.000 0.207 590 L C 0.907 177.517 176.870 -0.433 0.000 1.086 590 L CA 1.112 55.678 54.840 -0.458 0.000 0.760 590 L CB -0.265 41.212 42.059 -0.970 0.000 0.910 590 L HN 0.769 nan 8.230 nan 0.000 0.437 591 Y N -2.202 118.112 120.300 0.024 0.000 2.426 591 Y HA 0.333 4.922 4.550 0.064 0.000 0.249 591 Y C 2.153 178.086 175.900 0.056 0.000 1.103 591 Y CA -0.177 57.985 58.100 0.103 0.000 1.256 591 Y CB -0.509 38.065 38.460 0.190 0.000 1.208 591 Y HN -0.038 nan 8.280 nan 0.000 0.519 592 A N 0.857 123.717 122.820 0.068 0.000 1.892 592 A HA -0.116 4.242 4.320 0.064 0.000 0.218 592 A C 0.955 178.581 177.584 0.070 0.000 1.188 592 A CA 1.225 53.274 52.037 0.021 0.000 0.631 592 A CB -0.853 18.105 19.000 -0.070 0.000 0.822 592 A HN 0.304 nan 8.150 nan 0.000 0.447 593 I N 1.098 121.713 120.570 0.075 0.000 2.307 593 I HA 0.247 4.455 4.170 0.064 0.000 0.289 593 I C -2.405 173.784 176.117 0.120 0.000 1.021 593 I CA -2.254 59.096 61.300 0.084 0.000 1.224 593 I CB 1.404 39.442 38.000 0.063 0.000 1.376 593 I HN 0.015 nan 8.210 nan 0.000 0.470 594 P HA -0.049 nan 4.420 nan 0.000 0.261 594 P C -0.240 177.134 177.300 0.124 0.000 1.173 594 P CA 0.424 63.612 63.100 0.147 0.000 0.760 594 P CB 0.381 32.151 31.700 0.117 0.000 0.783 595 D N 1.112 121.597 120.400 0.140 0.000 2.615 595 D HA 0.067 4.745 4.640 0.064 0.000 0.274 595 D C 0.537 176.898 176.300 0.102 0.000 1.512 595 D CA -0.343 53.723 54.000 0.109 0.000 0.803 595 D CB -0.488 40.375 40.800 0.104 0.000 1.182 595 D HN 0.334 nan 8.370 nan 0.000 0.473 596 G N 0.408 109.279 108.800 0.118 0.000 2.391 596 G HA2 0.305 4.303 3.960 0.064 0.000 0.234 596 G HA3 0.305 4.303 3.960 0.064 0.000 0.234 596 G C -0.547 174.392 174.900 0.064 0.000 1.284 596 G CA 0.215 45.377 45.100 0.103 0.000 0.873 596 G HN 0.209 nan 8.290 nan 0.000 0.549 597 D N 0.715 121.145 120.400 0.050 0.000 2.616 597 D HA 0.144 4.822 4.640 0.064 0.000 0.238 597 D C 0.894 177.207 176.300 0.020 0.000 1.354 597 D CA -0.460 53.556 54.000 0.027 0.000 0.970 597 D CB 1.516 42.326 40.800 0.016 0.000 1.369 597 D HN 0.345 nan 8.370 nan 0.000 0.585 598 V N 1.907 121.827 119.914 0.010 0.000 3.306 598 V HA 0.214 4.373 4.120 0.064 0.000 0.264 598 V C 1.028 177.105 176.094 -0.027 0.000 1.149 598 V CA 0.258 62.559 62.300 0.002 0.000 1.143 598 V CB -0.732 31.088 31.823 -0.004 0.000 0.767 598 V HN 0.394 nan 8.190 nan 0.000 0.476 599 K N 1.285 121.662 120.400 -0.039 0.000 2.447 599 K HA 0.389 4.747 4.320 0.064 0.000 0.281 599 K C 1.243 177.806 176.600 -0.062 0.000 1.031 599 K CA 1.087 57.330 56.287 -0.073 0.000 1.019 599 K CB 0.065 32.526 32.500 -0.065 0.000 0.918 599 K HN 0.702 nan 8.250 nan 0.000 0.476 600 G N 3.164 111.900 108.800 -0.107 0.000 2.195 600 G HA2 -0.213 3.786 3.960 0.064 0.000 0.246 600 G HA3 -0.213 3.786 3.960 0.064 0.000 0.246 600 G C 0.073 175.017 174.900 0.072 0.000 0.984 600 G CA -0.240 44.864 45.100 0.007 0.000 0.633 600 G HN 0.560 nan 8.290 nan 0.000 0.525 601 R N -0.152 120.361 120.500 0.020 0.000 2.738 601 R HA 0.690 5.068 4.340 0.064 0.000 0.275 601 R C 0.049 176.405 176.300 0.094 0.000 1.121 601 R CA -0.028 56.115 56.100 0.071 0.000 1.207 601 R CB 0.976 31.311 30.300 0.058 0.000 1.141 601 R HN 0.710 nan 8.270 nan 0.000 0.571 602 V N 0.459 120.446 119.914 0.123 0.000 2.888 602 V HA 0.449 4.607 4.120 0.064 0.000 0.309 602 V C -1.060 175.102 176.094 0.113 0.000 1.114 602 V CA -0.724 61.663 62.300 0.145 0.000 0.940 602 V CB 2.453 34.387 31.823 0.186 0.000 1.021 602 V HN 0.364 nan 8.190 nan 0.000 0.426 603 V N 5.404 125.379 119.914 0.101 0.000 2.581 603 V HA 0.846 5.004 4.120 0.064 0.000 0.303 603 V C 0.487 176.639 176.094 0.097 0.000 1.041 603 V CA -0.157 62.193 62.300 0.084 0.000 0.907 603 V CB 1.768 33.626 31.823 0.058 0.000 0.994 603 V HN 1.193 nan 8.190 nan 0.000 0.442 604 A N 5.295 128.178 122.820 0.104 0.000 2.301 604 A HA 0.802 5.160 4.320 0.064 0.000 0.298 604 A C -0.531 177.065 177.584 0.022 0.000 1.185 604 A CA -0.343 51.745 52.037 0.085 0.000 0.830 604 A CB 0.152 19.241 19.000 0.149 0.000 1.112 604 A HN 0.755 nan 8.150 nan 0.000 0.508 605 I N 3.489 124.067 120.570 0.013 0.000 2.355 605 I HA 0.205 4.414 4.170 0.064 0.000 0.288 605 I C -0.639 175.485 176.117 0.011 0.000 0.999 605 I CA -0.253 61.055 61.300 0.013 0.000 1.163 605 I CB 1.442 39.462 38.000 0.033 0.000 1.316 605 I HN 0.496 nan 8.210 nan 0.000 0.454 606 L N 7.312 128.526 121.223 -0.015 0.000 2.312 606 L HA 0.385 4.763 4.340 0.064 0.000 0.287 606 L C 0.131 177.096 176.870 0.158 0.000 1.091 606 L CA -0.291 54.597 54.840 0.079 0.000 0.846 606 L CB 0.013 41.972 42.059 -0.166 0.000 1.219 606 L HN 0.452 nan 8.230 nan 0.000 0.439 607 L N 3.487 124.845 121.223 0.225 0.000 2.475 607 L HA 0.289 4.667 4.340 0.064 0.000 0.253 607 L C 0.197 177.222 176.870 0.259 0.000 1.198 607 L CA -0.309 54.613 54.840 0.138 0.000 0.814 607 L CB 0.734 42.782 42.059 -0.018 0.000 1.134 607 L HN 0.714 nan 8.230 nan 0.000 0.478 608 N N -2.346 116.409 118.700 0.092 0.000 2.697 608 N HA 0.214 4.992 4.740 0.064 0.000 0.272 608 N C -0.538 174.922 175.510 -0.082 0.000 1.381 608 N CA -0.764 52.386 53.050 0.167 0.000 0.797 608 N CB 0.684 39.276 38.487 0.175 0.000 1.523 608 N HN 0.509 nan 8.380 nan 0.000 0.518 609 D N -1.968 118.426 120.400 -0.011 0.000 2.363 609 D HA 0.012 4.690 4.640 0.064 0.000 0.226 609 D C -0.215 176.047 176.300 -0.065 0.000 1.020 609 D CA 0.632 54.571 54.000 -0.103 0.000 0.892 609 D CB -0.026 40.788 40.800 0.023 0.000 0.900 609 D HN 0.680 nan 8.370 nan 0.000 0.531 610 E N 0.229 120.407 120.200 -0.037 0.000 4.090 610 E HA 0.192 4.581 4.350 0.064 0.000 0.235 610 E C -1.219 175.367 176.600 -0.024 0.000 1.187 610 E CA -0.432 55.951 56.400 -0.028 0.000 1.308 610 E CB 0.407 30.101 29.700 -0.010 0.000 1.222 610 E HN -0.090 nan 8.360 nan 0.000 0.414 611 V N 1.817 121.707 119.914 -0.040 0.000 2.694 611 V HA 0.010 4.168 4.120 0.064 0.000 0.306 611 V C 0.988 177.065 176.094 -0.027 0.000 1.054 611 V CA 0.429 62.712 62.300 -0.029 0.000 1.161 611 V CB 0.649 32.449 31.823 -0.039 0.000 0.916 611 V HN 0.431 nan 8.190 nan 0.000 0.490 612 R N 3.242 123.727 120.500 -0.024 0.000 2.309 612 R HA 0.071 4.449 4.340 0.064 0.000 0.331 612 R C 1.596 177.875 176.300 -0.035 0.000 1.116 612 R CA 0.454 56.535 56.100 -0.031 0.000 0.970 612 R CB 0.439 30.716 30.300 -0.037 0.000 1.024 612 R HN 1.027 nan 8.270 nan 0.000 0.472 613 S N 2.772 118.453 115.700 -0.032 0.000 2.419 613 S HA -0.208 4.300 4.470 0.064 0.000 0.235 613 S C 1.930 176.510 174.600 -0.033 0.000 1.019 613 S CA 0.997 59.179 58.200 -0.030 0.000 0.982 613 S CB -0.003 63.181 63.200 -0.026 0.000 0.789 613 S HN 0.660 nan 8.310 nan 0.000 0.490 614 A N 2.177 124.974 122.820 -0.038 0.000 1.933 614 A HA -0.097 4.262 4.320 0.064 0.000 0.218 614 A C 1.983 179.532 177.584 -0.059 0.000 1.175 614 A CA 1.616 53.628 52.037 -0.043 0.000 0.628 614 A CB -0.781 18.192 19.000 -0.044 0.000 0.814 614 A HN 0.477 nan 8.150 nan 0.000 0.444 615 D N -0.457 119.898 120.400 -0.074 0.000 2.097 615 D HA -0.115 4.564 4.640 0.064 0.000 0.197 615 D C 1.856 178.116 176.300 -0.067 0.000 0.984 615 D CA 1.147 55.083 54.000 -0.106 0.000 0.826 615 D CB -0.432 40.295 40.800 -0.122 0.000 0.973 615 D HN 0.298 nan 8.370 nan 0.000 0.460 616 L N 0.567 121.766 121.223 -0.041 0.000 2.042 616 L HA -0.130 4.249 4.340 0.064 0.000 0.210 616 L C 2.199 179.061 176.870 -0.012 0.000 1.076 616 L CA 1.195 56.024 54.840 -0.019 0.000 0.749 616 L CB -0.690 41.359 42.059 -0.017 0.000 0.893 616 L HN 0.017 nan 8.230 nan 0.000 0.432 617 L N -0.364 120.848 121.223 -0.018 0.000 1.990 617 L HA -0.202 4.177 4.340 0.064 0.000 0.213 617 L C 2.521 179.386 176.870 -0.007 0.000 1.072 617 L CA 2.278 57.111 54.840 -0.012 0.000 0.755 617 L CB -1.045 41.004 42.059 -0.016 0.000 0.889 617 L HN 0.299 nan 8.230 nan 0.000 0.432 618 A N -0.618 122.192 122.820 -0.017 0.000 1.902 618 A HA -0.178 4.180 4.320 0.064 0.000 0.217 618 A C 2.263 179.857 177.584 0.017 0.000 1.181 618 A CA 2.031 54.064 52.037 -0.007 0.000 0.623 618 A CB -0.873 18.108 19.000 -0.031 0.000 0.818 618 A HN 0.515 nan 8.150 nan 0.000 0.443 619 I N -0.233 120.349 120.570 0.020 0.000 2.099 619 I HA -0.283 3.926 4.170 0.064 0.000 0.239 619 I C 2.396 178.540 176.117 0.045 0.000 1.066 619 I CA 1.375 62.710 61.300 0.059 0.000 1.324 619 I CB -0.376 37.661 38.000 0.062 0.000 1.037 619 I HN 0.290 nan 8.210 nan 0.000 0.401 620 L N 0.462 121.702 121.223 0.029 0.000 2.083 620 L HA -0.227 4.151 4.340 0.064 0.000 0.209 620 L C 2.634 179.516 176.870 0.019 0.000 1.083 620 L CA 1.322 56.177 54.840 0.025 0.000 0.752 620 L CB -0.675 41.396 42.059 0.020 0.000 0.899 620 L HN 0.285 nan 8.230 nan 0.000 0.433 621 K N 0.726 121.135 120.400 0.016 0.000 2.026 621 K HA -0.190 4.168 4.320 0.064 0.000 0.208 621 K C 2.154 178.761 176.600 0.013 0.000 1.048 621 K CA 1.462 57.756 56.287 0.012 0.000 0.929 621 K CB -0.059 32.447 32.500 0.009 0.000 0.713 621 K HN 0.250 nan 8.250 nan 0.000 0.439 622 A N 1.485 124.318 122.820 0.021 0.000 1.898 622 A HA -0.084 4.274 4.320 0.064 0.000 0.216 622 A C 2.159 179.749 177.584 0.010 0.000 1.181 622 A CA 1.103 53.153 52.037 0.022 0.000 0.620 622 A CB -0.532 18.494 19.000 0.043 0.000 0.819 622 A HN 0.316 nan 8.150 nan 0.000 0.442 623 L N -0.554 120.676 121.223 0.012 0.000 2.046 623 L HA -0.198 4.181 4.340 0.064 0.000 0.208 623 L C 2.669 179.520 176.870 -0.031 0.000 1.077 623 L CA 1.942 56.778 54.840 -0.007 0.000 0.747 623 L CB -0.487 41.575 42.059 0.005 0.000 0.896 623 L HN 0.483 nan 8.230 nan 0.000 0.432 624 K N 0.647 121.038 120.400 -0.016 0.000 2.097 624 K HA -0.173 4.185 4.320 0.064 0.000 0.206 624 K C 2.079 178.662 176.600 -0.028 0.000 1.049 624 K CA 1.318 57.592 56.287 -0.022 0.000 0.933 624 K CB -0.037 32.463 32.500 -0.002 0.000 0.717 624 K HN 0.258 nan 8.250 nan 0.000 0.442 625 A N 1.129 123.939 122.820 -0.017 0.000 2.019 625 A HA -0.089 4.270 4.320 0.064 0.000 0.219 625 A C 1.499 179.067 177.584 -0.025 0.000 1.164 625 A CA 1.249 53.276 52.037 -0.015 0.000 0.644 625 A CB -0.053 18.944 19.000 -0.006 0.000 0.805 625 A HN 0.164 nan 8.150 nan 0.000 0.449 626 K N -1.324 119.055 120.400 -0.036 0.000 2.373 626 K HA 0.228 4.586 4.320 0.064 0.000 0.202 626 K C 0.911 177.464 176.600 -0.079 0.000 1.025 626 K CA 0.565 56.825 56.287 -0.044 0.000 1.115 626 K CB 0.043 32.523 32.500 -0.034 0.000 0.858 626 K HN 0.685 nan 8.250 nan 0.000 0.525 627 G N 1.530 110.265 108.800 -0.108 0.000 2.198 627 G HA2 -0.238 3.761 3.960 0.064 0.000 0.260 627 G HA3 -0.238 3.761 3.960 0.064 0.000 0.260 627 G C 0.074 174.772 174.900 -0.337 0.000 1.025 627 G CA 0.265 45.252 45.100 -0.190 0.000 0.769 627 G HN 0.123 nan 8.290 nan 0.000 0.507 628 V N 2.430 122.192 119.914 -0.253 0.000 2.465 628 V HA 0.442 4.601 4.120 0.064 0.000 0.279 628 V C 0.764 176.702 176.094 -0.260 0.000 1.045 628 V CA -1.089 61.065 62.300 -0.244 0.000 0.938 628 V CB 1.189 32.958 31.823 -0.089 0.000 0.986 628 V HN 0.364 nan 8.190 nan 0.000 0.467 629 H N 2.503 121.586 119.070 0.022 0.000 2.508 629 H HA 0.768 5.362 4.556 0.064 0.000 0.358 629 H C 0.125 175.474 175.328 0.035 0.000 1.212 629 H CA -0.167 55.896 56.048 0.025 0.000 1.356 629 H CB 1.800 31.578 29.762 0.027 0.000 1.525 629 H HN 0.760 nan 8.280 nan 0.000 0.578 630 A N 1.245 124.171 122.820 0.177 0.000 2.435 630 A HA 0.539 4.897 4.320 0.064 0.000 0.304 630 A C -0.737 176.905 177.584 0.096 0.000 1.064 630 A CA -0.935 51.168 52.037 0.111 0.000 0.727 630 A CB 1.399 20.445 19.000 0.077 0.000 1.284 630 A HN 0.744 nan 8.150 nan 0.000 0.415 631 K N 2.260 122.710 120.400 0.084 0.000 2.502 631 K HA 0.660 5.018 4.320 0.064 0.000 0.254 631 K C -1.555 175.076 176.600 0.050 0.000 0.947 631 K CA -0.462 55.867 56.287 0.069 0.000 0.834 631 K CB 1.294 33.845 32.500 0.085 0.000 1.112 631 K HN 0.508 nan 8.250 nan 0.000 0.427 632 L N 5.206 126.448 121.223 0.033 0.000 2.315 632 L HA 0.344 4.723 4.340 0.064 0.000 0.283 632 L C -0.386 176.490 176.870 0.010 0.000 1.089 632 L CA -0.690 54.161 54.840 0.019 0.000 0.833 632 L CB 0.161 42.223 42.059 0.004 0.000 1.170 632 L HN 0.533 nan 8.230 nan 0.000 0.442 633 L N 3.749 124.982 121.223 0.017 0.000 2.330 633 L HA 0.604 4.982 4.340 0.064 0.000 0.271 633 L C -0.797 176.011 176.870 -0.103 0.000 1.013 633 L CA -0.747 54.066 54.840 -0.045 0.000 0.816 633 L CB 1.891 43.951 42.059 0.001 0.000 1.287 633 L HN 0.402 nan 8.230 nan 0.000 0.435 634 Y N -0.707 119.179 120.300 -0.690 0.000 2.744 634 Y HA 0.167 4.756 4.550 0.064 0.000 0.330 634 Y C 0.773 175.928 175.900 -1.241 0.000 1.263 634 Y CA -0.865 56.724 58.100 -0.851 0.000 1.065 634 Y CB 1.626 39.900 38.460 -0.310 0.000 1.306 634 Y HN 0.563 nan 8.280 nan 0.000 0.459 635 S N 0.784 115.565 115.700 -1.531 0.000 2.562 635 S HA 0.196 4.704 4.470 0.064 0.000 0.221 635 S C 0.140 174.431 174.600 -0.516 0.000 0.975 635 S CA 0.545 58.224 58.200 -0.868 0.000 0.918 635 S CB -0.217 62.618 63.200 -0.609 0.000 0.772 635 S HN 0.625 nan 8.310 nan 0.000 0.531 636 R N -1.407 118.845 120.500 -0.413 0.000 2.766 636 R HA 0.648 5.026 4.340 0.064 0.000 0.270 636 R C -0.838 175.449 176.300 -0.021 0.000 1.035 636 R CA -1.113 54.906 56.100 -0.135 0.000 0.911 636 R CB 0.519 30.788 30.300 -0.052 0.000 1.243 636 R HN -0.066 nan 8.270 nan 0.000 0.460 637 M N -0.115 119.482 119.600 -0.005 0.000 2.513 637 M HA 0.557 5.076 4.480 0.064 0.000 0.250 637 M C 0.935 177.254 176.300 0.031 0.000 1.145 637 M CA 0.662 55.967 55.300 0.008 0.000 0.948 637 M CB 0.645 33.240 32.600 -0.007 0.000 1.405 637 M HN 1.048 nan 8.290 nan 0.000 0.546 638 G N 0.816 109.625 108.800 0.015 0.000 2.578 638 G HA2 -0.142 3.856 3.960 0.064 0.000 0.232 638 G HA3 -0.142 3.856 3.960 0.064 0.000 0.232 638 G C -0.811 174.087 174.900 -0.003 0.000 1.176 638 G CA -0.382 44.724 45.100 0.010 0.000 0.968 638 G HN 0.622 nan 8.290 nan 0.000 0.583 639 E N -1.138 119.054 120.200 -0.013 0.000 2.416 639 E HA 0.635 5.023 4.350 0.064 0.000 0.273 639 E C -0.503 176.043 176.600 -0.091 0.000 0.935 639 E CA -0.459 55.913 56.400 -0.047 0.000 0.784 639 E CB 2.965 32.642 29.700 -0.037 0.000 1.301 639 E HN 1.285 nan 8.360 nan 0.000 0.454 640 V N -1.931 117.894 119.914 -0.149 0.000 2.962 640 V HA 0.728 4.886 4.120 0.064 0.000 0.313 640 V C -0.604 175.410 176.094 -0.134 0.000 1.099 640 V CA -0.719 61.456 62.300 -0.208 0.000 0.971 640 V CB 1.959 33.522 31.823 -0.433 0.000 1.028 640 V HN 0.626 nan 8.190 nan 0.000 0.430 641 T N 2.726 117.216 114.554 -0.107 0.000 2.779 641 T HA 0.782 5.170 4.350 0.064 0.000 0.280 641 T C 0.393 175.051 174.700 -0.069 0.000 0.987 641 T CA 0.283 62.341 62.100 -0.071 0.000 0.966 641 T CB 1.392 70.231 68.868 -0.048 0.000 0.933 641 T HN 1.368 nan 8.240 nan 0.000 0.442 642 A N 2.330 125.116 122.820 -0.058 0.000 2.325 642 A HA 0.309 4.667 4.320 0.064 0.000 0.260 642 A C 1.538 179.100 177.584 -0.037 0.000 1.133 642 A CA -0.226 51.782 52.037 -0.049 0.000 0.801 642 A CB -0.011 18.965 19.000 -0.041 0.000 1.092 642 A HN 0.906 nan 8.150 nan 0.000 0.504 643 D N -0.456 119.926 120.400 -0.031 0.000 2.263 643 D HA -0.164 4.514 4.640 0.064 0.000 0.208 643 D C 0.540 176.827 176.300 -0.022 0.000 0.971 643 D CA 1.433 55.419 54.000 -0.024 0.000 0.867 643 D CB -0.228 40.559 40.800 -0.022 0.000 0.929 643 D HN 0.583 nan 8.370 nan 0.000 0.492 644 D N -1.427 118.959 120.400 -0.022 0.000 2.368 644 D HA 0.211 4.889 4.640 0.064 0.000 0.218 644 D C 1.582 177.871 176.300 -0.019 0.000 1.112 644 D CA 0.220 54.209 54.000 -0.019 0.000 0.834 644 D CB -0.098 40.691 40.800 -0.018 0.000 0.953 644 D HN 0.311 nan 8.370 nan 0.000 0.505 645 G N -0.007 108.780 108.800 -0.021 0.000 2.176 645 G HA2 -0.270 3.728 3.960 0.064 0.000 0.253 645 G HA3 -0.270 3.728 3.960 0.064 0.000 0.253 645 G C 0.400 175.287 174.900 -0.022 0.000 0.979 645 G CA 0.278 45.366 45.100 -0.021 0.000 0.641 645 G HN 0.428 nan 8.290 nan 0.000 0.530 646 T N 1.440 115.979 114.554 -0.024 0.000 2.817 646 T HA 0.408 4.797 4.350 0.064 0.000 0.295 646 T C 0.688 175.369 174.700 -0.032 0.000 0.958 646 T CA 0.115 62.200 62.100 -0.024 0.000 1.157 646 T CB 1.918 70.772 68.868 -0.024 0.000 0.898 646 T HN 0.456 nan 8.240 nan 0.000 0.536 647 V N 6.208 126.106 119.914 -0.028 0.000 2.432 647 V HA 0.260 4.418 4.120 0.064 0.000 0.271 647 V C 0.282 176.354 176.094 -0.036 0.000 1.046 647 V CA -0.483 61.797 62.300 -0.034 0.000 0.945 647 V CB 0.439 32.246 31.823 -0.026 0.000 0.992 647 V HN 0.696 nan 8.190 nan 0.000 0.471 648 L N 8.397 129.589 121.223 -0.051 0.000 2.277 648 L HA 0.440 4.818 4.340 0.064 0.000 0.284 648 L C -2.299 174.540 176.870 -0.052 0.000 1.028 648 L CA -1.781 53.029 54.840 -0.051 0.000 0.835 648 L CB 1.754 43.770 42.059 -0.071 0.000 1.215 648 L HN 0.421 nan 8.230 nan 0.000 0.425 649 P HA 0.200 nan 4.420 nan 0.000 0.275 649 P C -0.405 176.881 177.300 -0.024 0.000 1.227 649 P CA -0.058 63.028 63.100 -0.024 0.000 0.781 649 P CB 0.972 32.665 31.700 -0.012 0.000 0.906 650 I N 2.110 122.668 120.570 -0.020 0.000 2.342 650 I HA 0.179 4.387 4.170 0.064 0.000 0.291 650 I C 1.593 177.706 176.117 -0.007 0.000 1.010 650 I CA -0.355 60.937 61.300 -0.014 0.000 1.308 650 I CB 1.300 39.300 38.000 0.001 0.000 1.400 650 I HN 0.374 nan 8.210 nan 0.000 0.488 651 A N 5.442 128.261 122.820 -0.002 0.000 1.929 651 A HA 0.460 4.818 4.320 0.064 0.000 0.216 651 A C 1.009 178.597 177.584 0.006 0.000 1.176 651 A CA 1.397 53.438 52.037 0.007 0.000 0.628 651 A CB -0.017 18.996 19.000 0.021 0.000 0.816 651 A HN 0.842 nan 8.150 nan 0.000 0.444 652 A N -2.398 120.418 122.820 -0.007 0.000 2.544 652 A HA 0.556 4.914 4.320 0.064 0.000 0.291 652 A C -0.071 177.471 177.584 -0.070 0.000 1.055 652 A CA 0.058 52.088 52.037 -0.012 0.000 0.651 652 A CB -0.329 18.689 19.000 0.030 0.000 1.296 652 A HN 0.817 nan 8.150 nan 0.000 0.431 653 T N -1.473 113.030 114.554 -0.084 0.000 2.847 653 T HA 0.570 4.958 4.350 0.064 0.000 0.279 653 T C 0.978 175.627 174.700 -0.084 0.000 0.984 653 T CA 0.084 62.060 62.100 -0.206 0.000 0.988 653 T CB 0.098 68.879 68.868 -0.145 0.000 1.040 653 T HN 0.500 nan 8.240 nan 0.000 0.528 654 F N 0.608 120.581 119.950 0.038 0.000 2.120 654 F HA -0.041 4.524 4.527 0.064 0.000 0.300 654 F C 2.981 178.920 175.800 0.231 0.000 1.095 654 F CA 1.097 59.174 58.000 0.128 0.000 1.249 654 F CB -0.761 38.285 39.000 0.077 0.000 0.995 654 F HN 0.703 nan 8.300 nan 0.000 0.480 655 A N 0.346 123.338 122.820 0.287 0.000 1.968 655 A HA 0.013 4.371 4.320 0.064 0.000 0.217 655 A C 2.435 180.092 177.584 0.121 0.000 1.169 655 A CA 1.494 53.638 52.037 0.178 0.000 0.638 655 A CB -1.439 17.622 19.000 0.101 0.000 0.812 655 A HN 0.405 nan 8.150 nan 0.000 0.446 656 G N -1.012 107.846 108.800 0.098 0.000 2.448 656 G HA2 0.284 4.283 3.960 0.064 0.000 0.218 656 G HA3 0.284 4.283 3.960 0.064 0.000 0.218 656 G C 0.652 175.604 174.900 0.086 0.000 1.135 656 G CA 0.953 46.092 45.100 0.064 0.000 0.784 656 G HN 1.081 nan 8.290 nan 0.000 0.543 657 A N 0.713 123.622 122.820 0.147 0.000 3.030 657 A HA 0.697 5.055 4.320 0.064 0.000 0.335 657 A C -2.649 175.085 177.584 0.250 0.000 1.089 657 A CA -1.149 50.988 52.037 0.166 0.000 0.807 657 A CB 1.137 20.233 19.000 0.160 0.000 1.099 657 A HN 0.075 nan 8.150 nan 0.000 0.474 658 P HA -0.049 nan 4.420 nan 0.000 0.269 658 P C 1.404 178.534 177.300 -0.283 0.000 1.205 658 P CA 0.714 63.757 63.100 -0.095 0.000 0.780 658 P CB 0.681 32.315 31.700 -0.110 0.000 0.858 659 S N 1.150 116.313 115.700 -0.895 0.000 2.440 659 S HA -0.157 4.351 4.470 0.064 0.000 0.238 659 S C 1.770 176.228 174.600 -0.237 0.000 1.010 659 S CA 1.050 58.875 58.200 -0.624 0.000 0.972 659 S CB -1.292 61.441 63.200 -0.779 0.000 0.774 659 S HN 0.339 nan 8.310 nan 0.000 0.501 660 L N 1.826 122.915 121.223 -0.224 0.000 2.089 660 L HA -0.125 4.253 4.340 0.064 0.000 0.213 660 L C 3.026 179.731 176.870 -0.274 0.000 1.079 660 L CA 1.782 56.487 54.840 -0.224 0.000 0.758 660 L CB -1.604 40.296 42.059 -0.265 0.000 0.891 660 L HN 0.644 nan 8.230 nan 0.000 0.433 661 T N -3.043 111.414 114.554 -0.162 0.000 3.148 661 T HA 0.185 4.573 4.350 0.064 0.000 0.253 661 T C 0.422 175.216 174.700 0.157 0.000 1.134 661 T CA 0.214 62.306 62.100 -0.013 0.000 1.051 661 T CB -0.458 68.497 68.868 0.146 0.000 0.959 661 T HN 0.181 nan 8.240 nan 0.000 0.525 662 V N -2.604 117.364 119.914 0.091 0.000 3.113 662 V HA 0.574 4.732 4.120 0.064 0.000 0.316 662 V C -0.019 176.124 176.094 0.082 0.000 1.125 662 V CA -0.960 61.417 62.300 0.130 0.000 1.026 662 V CB 2.064 33.980 31.823 0.154 0.000 1.080 662 V HN -0.007 nan 8.190 nan 0.000 0.444 663 D N 0.794 121.245 120.400 0.085 0.000 2.366 663 D HA 0.494 5.173 4.640 0.064 0.000 0.205 663 D C 0.554 176.845 176.300 -0.014 0.000 1.022 663 D CA 1.489 55.514 54.000 0.042 0.000 0.868 663 D CB 1.493 42.339 40.800 0.077 0.000 0.953 663 D HN 0.974 nan 8.370 nan 0.000 0.514 664 A N 0.021 122.848 122.820 0.011 0.000 2.586 664 A HA 0.536 4.894 4.320 0.064 0.000 0.290 664 A C -1.635 175.967 177.584 0.031 0.000 1.086 664 A CA -0.551 51.477 52.037 -0.015 0.000 0.665 664 A CB 1.416 20.393 19.000 -0.039 0.000 1.279 664 A HN -0.111 nan 8.150 nan 0.000 0.423 665 V N 0.931 120.854 119.914 0.016 0.000 2.588 665 V HA 0.580 4.738 4.120 0.064 0.000 0.304 665 V C -0.706 175.389 176.094 0.003 0.000 1.042 665 V CA -0.205 62.116 62.300 0.034 0.000 0.877 665 V CB 1.505 33.366 31.823 0.063 0.000 0.996 665 V HN 0.687 nan 8.190 nan 0.000 0.425 666 I N 4.173 124.753 120.570 0.016 0.000 2.465 666 I HA 0.567 4.775 4.170 0.064 0.000 0.291 666 I C -0.882 175.260 176.117 0.041 0.000 1.014 666 I CA -0.948 60.389 61.300 0.062 0.000 1.093 666 I CB 2.317 40.388 38.000 0.118 0.000 1.267 666 I HN 0.277 nan 8.210 nan 0.000 0.431 667 V N 7.444 127.401 119.914 0.071 0.000 2.349 667 V HA 0.331 4.490 4.120 0.064 0.000 0.284 667 V C -2.176 173.973 176.094 0.091 0.000 1.014 667 V CA -1.622 60.702 62.300 0.040 0.000 0.826 667 V CB 1.290 33.100 31.823 -0.022 0.000 1.009 667 V HN 0.551 nan 8.190 nan 0.000 0.431 668 P HA 0.210 nan 4.420 nan 0.000 0.274 668 P C 0.194 177.509 177.300 0.025 0.000 1.246 668 P CA -0.195 62.915 63.100 0.016 0.000 0.795 668 P CB 1.047 32.748 31.700 0.002 0.000 1.006 669 C N 0.534 119.827 119.300 -0.012 0.000 2.705 669 C HA 0.771 5.270 4.460 0.064 0.000 0.311 669 C C 1.316 176.312 174.990 0.009 0.000 1.576 669 C CA 1.417 60.438 59.018 0.006 0.000 2.161 669 C CB -0.449 27.279 27.740 -0.020 0.000 2.032 669 C HN 0.910 nan 8.230 nan 0.000 0.616 670 G N 1.336 110.142 108.800 0.010 0.000 2.295 670 G HA2 0.015 4.013 3.960 0.064 0.000 0.155 670 G HA3 0.015 4.013 3.960 0.064 0.000 0.155 670 G C -1.012 173.899 174.900 0.017 0.000 1.307 670 G CA 0.038 45.143 45.100 0.008 0.000 1.140 670 G HN 0.879 nan 8.290 nan 0.000 0.470 671 N N 1.891 120.608 118.700 0.028 0.000 2.807 671 N HA 0.291 5.069 4.740 0.064 0.000 0.259 671 N C 1.600 177.144 175.510 0.057 0.000 1.149 671 N CA -0.464 52.606 53.050 0.034 0.000 1.042 671 N CB -0.107 38.402 38.487 0.037 0.000 1.367 671 N HN 0.368 nan 8.380 nan 0.000 0.516 672 I N 1.309 121.903 120.570 0.041 0.000 2.394 672 I HA -0.179 4.029 4.170 0.064 0.000 0.251 672 I C 2.072 178.197 176.117 0.013 0.000 1.136 672 I CA 0.641 61.969 61.300 0.045 0.000 1.425 672 I CB -1.442 36.557 38.000 -0.002 0.000 1.079 672 I HN 0.499 nan 8.210 nan 0.000 0.425 673 A N 0.849 123.666 122.820 -0.004 0.000 1.958 673 A HA -0.319 4.039 4.320 0.064 0.000 0.221 673 A C 2.107 179.710 177.584 0.031 0.000 1.178 673 A CA 2.340 54.372 52.037 -0.008 0.000 0.642 673 A CB -0.823 18.174 19.000 -0.005 0.000 0.816 673 A HN 0.433 nan 8.150 nan 0.000 0.453 674 D N 0.182 120.627 120.400 0.074 0.000 2.133 674 D HA -0.168 4.511 4.640 0.064 0.000 0.195 674 D C 1.547 177.934 176.300 0.145 0.000 0.997 674 D CA 1.893 55.966 54.000 0.122 0.000 0.840 674 D CB -0.225 40.684 40.800 0.182 0.000 0.947 674 D HN 0.673 nan 8.370 nan 0.000 0.452 675 I N -3.949 116.725 120.570 0.174 0.000 4.154 675 I HA 0.482 4.691 4.170 0.064 0.000 0.334 675 I C 1.890 178.128 176.117 0.202 0.000 1.371 675 I CA -0.052 61.375 61.300 0.212 0.000 1.110 675 I CB 0.166 38.343 38.000 0.296 0.000 1.085 675 I HN -0.095 nan 8.210 nan 0.000 0.398 676 A N 1.805 124.646 122.820 0.036 0.000 1.948 676 A HA -0.190 4.168 4.320 0.064 0.000 0.220 676 A C 1.650 179.183 177.584 -0.085 0.000 1.177 676 A CA 2.207 54.119 52.037 -0.209 0.000 0.636 676 A CB -0.516 18.325 19.000 -0.265 0.000 0.815 676 A HN 0.539 nan 8.150 nan 0.000 0.449 677 D N -0.680 119.715 120.400 -0.008 0.000 2.363 677 D HA 0.019 4.697 4.640 0.064 0.000 0.214 677 D C 0.093 176.420 176.300 0.045 0.000 1.093 677 D CA -0.183 53.823 54.000 0.010 0.000 0.837 677 D CB -0.249 40.550 40.800 -0.002 0.000 0.948 677 D HN 0.363 nan 8.370 nan 0.000 0.507 678 N N 1.278 120.023 118.700 0.076 0.000 2.452 678 N HA 0.010 4.789 4.740 0.064 0.000 0.266 678 N C 1.366 176.916 175.510 0.067 0.000 1.175 678 N CA 0.075 53.169 53.050 0.074 0.000 0.945 678 N CB 1.498 40.043 38.487 0.096 0.000 1.063 678 N HN -0.008 nan 8.380 nan 0.000 0.472 679 G N 3.539 112.376 108.800 0.062 0.000 2.446 679 G HA2 -0.279 3.719 3.960 0.064 0.000 0.217 679 G HA3 -0.279 3.719 3.960 0.064 0.000 0.217 679 G C 0.957 175.911 174.900 0.091 0.000 1.168 679 G CA 0.664 45.803 45.100 0.065 0.000 0.771 679 G HN 0.613 nan 8.290 nan 0.000 0.551 680 D N 0.898 121.358 120.400 0.101 0.000 2.117 680 D HA -0.009 4.670 4.640 0.064 0.000 0.197 680 D C 2.808 179.123 176.300 0.025 0.000 0.987 680 D CA 1.215 55.308 54.000 0.155 0.000 0.829 680 D CB -0.504 40.451 40.800 0.258 0.000 0.961 680 D HN 0.312 nan 8.370 nan 0.000 0.460 681 A N 1.050 123.714 122.820 -0.261 0.000 1.877 681 A HA -0.198 4.161 4.320 0.064 0.000 0.216 681 A C 2.033 179.424 177.584 -0.322 0.000 1.186 681 A CA 1.333 52.965 52.037 -0.675 0.000 0.620 681 A CB -0.520 18.029 19.000 -0.752 0.000 0.822 681 A HN 0.167 nan 8.150 nan 0.000 0.443 682 N N -1.597 117.068 118.700 -0.059 0.000 2.084 682 N HA -0.186 4.593 4.740 0.064 0.000 0.190 682 N C 1.747 177.257 175.510 -0.000 0.000 1.030 682 N CA 1.802 54.874 53.050 0.037 0.000 0.849 682 N CB -0.436 38.135 38.487 0.140 0.000 1.012 682 N HN 0.668 nan 8.380 nan 0.000 0.423 683 Y N 0.739 121.015 120.300 -0.040 0.000 2.224 683 Y HA -0.290 4.298 4.550 0.064 0.000 0.289 683 Y C 2.403 178.266 175.900 -0.061 0.000 1.146 683 Y CA 1.346 59.418 58.100 -0.046 0.000 1.182 683 Y CB -0.401 38.039 38.460 -0.034 0.000 0.983 683 Y HN 0.052 nan 8.280 nan 0.000 0.524 684 Y N 0.366 120.548 120.300 -0.197 0.000 2.114 684 Y HA -0.354 4.234 4.550 0.064 0.000 0.282 684 Y C 2.128 177.836 175.900 -0.319 0.000 1.165 684 Y CA 2.268 60.224 58.100 -0.240 0.000 1.148 684 Y CB -0.511 37.805 38.460 -0.239 0.000 0.972 684 Y HN 0.125 nan 8.280 nan 0.000 0.504 685 L N -1.093 120.065 121.223 -0.108 0.000 2.093 685 L HA -0.253 4.125 4.340 0.064 0.000 0.208 685 L C 2.398 179.148 176.870 -0.198 0.000 1.085 685 L CA 1.360 56.112 54.840 -0.146 0.000 0.755 685 L CB -0.498 41.442 42.059 -0.199 0.000 0.904 685 L HN 0.309 nan 8.230 nan 0.000 0.435 686 M N -0.696 118.723 119.600 -0.302 0.000 2.175 686 M HA -0.201 4.317 4.480 0.064 0.000 0.264 686 M C 2.212 178.245 176.300 -0.446 0.000 1.063 686 M CA 1.581 56.690 55.300 -0.318 0.000 1.119 686 M CB -0.320 32.084 32.600 -0.326 0.000 1.377 686 M HN 0.216 nan 8.290 nan 0.000 0.415 687 E N 0.694 120.447 120.200 -0.744 0.000 2.047 687 E HA -0.173 4.215 4.350 0.064 0.000 0.191 687 E C 2.038 178.272 176.600 -0.611 0.000 0.987 687 E CA 1.271 57.205 56.400 -0.776 0.000 0.799 687 E CB 0.011 29.248 29.700 -0.772 0.000 0.752 687 E HN 0.456 nan 8.360 nan 0.000 0.449 688 A N 0.307 122.892 122.820 -0.392 0.000 1.940 688 A HA -0.225 4.133 4.320 0.064 0.000 0.219 688 A C 2.045 179.520 177.584 -0.181 0.000 1.176 688 A CA 1.595 53.495 52.037 -0.228 0.000 0.631 688 A CB -0.930 17.996 19.000 -0.124 0.000 0.814 688 A HN 0.571 nan 8.150 nan 0.000 0.446 689 Y N 0.392 120.530 120.300 -0.271 0.000 2.145 689 Y HA -0.189 4.400 4.550 0.064 0.000 0.286 689 Y C 2.405 178.177 175.900 -0.213 0.000 1.145 689 Y CA 2.331 60.303 58.100 -0.214 0.000 1.148 689 Y CB -0.239 38.111 38.460 -0.184 0.000 0.981 689 Y HN 0.300 nan 8.280 nan 0.000 0.507 690 K N -0.615 119.668 120.400 -0.195 0.000 2.103 690 K HA -0.220 4.139 4.320 0.064 0.000 0.207 690 K C 0.995 177.477 176.600 -0.196 0.000 1.048 690 K CA 1.959 58.106 56.287 -0.234 0.000 0.930 690 K CB -0.408 31.908 32.500 -0.306 0.000 0.716 690 K HN 0.585 nan 8.250 nan 0.000 0.444 691 H N 0.376 119.322 119.070 -0.206 0.000 2.555 691 H HA 0.169 4.764 4.556 0.064 0.000 0.283 691 H C -0.068 175.090 175.328 -0.283 0.000 1.037 691 H CA 0.041 55.961 56.048 -0.213 0.000 1.169 691 H CB 0.028 29.665 29.762 -0.208 0.000 1.375 691 H HN 0.114 nan 8.280 nan 0.000 0.582 692 L N 0.050 121.117 121.223 -0.260 0.000 4.040 692 L HA -0.292 4.086 4.340 0.064 0.000 0.410 692 L C -0.323 176.279 176.870 -0.447 0.000 1.187 692 L CA 0.679 55.271 54.840 -0.413 0.000 0.956 692 L CB -1.694 40.091 42.059 -0.456 0.000 2.022 692 L HN 0.327 nan 8.230 nan 0.000 0.897 693 K N 0.676 120.882 120.400 -0.323 0.000 2.143 693 K HA 0.487 4.846 4.320 0.064 0.000 0.272 693 K C -2.147 174.316 176.600 -0.228 0.000 1.001 693 K CA -1.844 54.276 56.287 -0.278 0.000 0.915 693 K CB 0.777 33.169 32.500 -0.180 0.000 1.047 693 K HN -0.214 nan 8.250 nan 0.000 0.458 694 P HA 0.051 nan 4.420 nan 0.000 0.265 694 P C -0.763 176.468 177.300 -0.115 0.000 1.193 694 P CA 0.386 63.383 63.100 -0.170 0.000 0.765 694 P CB 0.421 32.022 31.700 -0.165 0.000 0.823 695 I N 1.805 122.318 120.570 -0.096 0.000 2.545 695 I HA 0.623 4.831 4.170 0.064 0.000 0.292 695 I C -0.340 175.719 176.117 -0.097 0.000 1.040 695 I CA -0.884 60.377 61.300 -0.064 0.000 1.068 695 I CB 2.237 40.227 38.000 -0.016 0.000 1.251 695 I HN 0.259 nan 8.210 nan 0.000 0.424 696 A N 7.620 130.386 122.820 -0.089 0.000 2.343 696 A HA 0.864 5.223 4.320 0.064 0.000 0.308 696 A C -1.123 176.537 177.584 0.126 0.000 1.092 696 A CA -0.419 51.528 52.037 -0.150 0.000 0.751 696 A CB 0.947 19.701 19.000 -0.411 0.000 1.203 696 A HN 0.663 nan 8.150 nan 0.000 0.452 697 L N 2.408 123.762 121.223 0.219 0.000 2.343 697 L HA 0.714 5.093 4.340 0.064 0.000 0.278 697 L C 0.315 177.402 176.870 0.361 0.000 0.996 697 L CA -0.507 54.492 54.840 0.265 0.000 0.831 697 L CB 1.864 44.025 42.059 0.170 0.000 1.232 697 L HN 0.779 nan 8.230 nan 0.000 0.413 698 A N 2.247 125.200 122.820 0.221 0.000 2.325 698 A HA 0.878 5.236 4.320 0.064 0.000 0.333 698 A C 0.702 178.290 177.584 0.007 0.000 1.155 698 A CA 0.301 52.340 52.037 0.004 0.000 0.814 698 A CB 1.162 19.964 19.000 -0.329 0.000 1.206 698 A HN 0.962 nan 8.150 nan 0.000 0.482 699 G N 1.446 110.237 108.800 -0.016 0.000 2.634 699 G HA2 -0.340 3.659 3.960 0.064 0.000 0.309 699 G HA3 -0.340 3.659 3.960 0.064 0.000 0.309 699 G C 0.471 175.379 174.900 0.014 0.000 1.265 699 G CA 0.894 45.988 45.100 -0.010 0.000 0.998 699 G HN 0.725 nan 8.290 nan 0.000 0.551 700 D N 1.275 121.679 120.400 0.007 0.000 2.350 700 D HA 0.225 4.903 4.640 0.064 0.000 0.216 700 D C 2.552 178.861 176.300 0.015 0.000 0.968 700 D CA 1.470 55.469 54.000 -0.002 0.000 0.894 700 D CB -0.602 40.188 40.800 -0.016 0.000 0.909 700 D HN 0.766 nan 8.370 nan 0.000 0.520 701 A N 0.460 123.331 122.820 0.085 0.000 2.121 701 A HA -0.140 4.218 4.320 0.064 0.000 0.218 701 A C 2.054 179.769 177.584 0.217 0.000 1.154 701 A CA 0.672 52.839 52.037 0.217 0.000 0.679 701 A CB -0.322 18.813 19.000 0.225 0.000 0.795 701 A HN 0.117 nan 8.150 nan 0.000 0.458 702 R N -0.418 120.150 120.500 0.114 0.000 2.241 702 R HA -0.055 4.323 4.340 0.064 0.000 0.224 702 R C 1.292 177.617 176.300 0.040 0.000 1.101 702 R CA 0.840 56.993 56.100 0.088 0.000 0.995 702 R CB -0.044 30.292 30.300 0.060 0.000 0.870 702 R HN 0.202 nan 8.270 nan 0.000 0.463 703 K N -0.049 120.334 120.400 -0.028 0.000 2.362 703 K HA -0.081 4.277 4.320 0.064 0.000 0.200 703 K C 1.332 177.831 176.600 -0.169 0.000 1.046 703 K CA 1.032 57.246 56.287 -0.121 0.000 0.952 703 K CB -0.145 32.236 32.500 -0.198 0.000 0.753 703 K HN 0.237 nan 8.250 nan 0.000 0.466 704 F N 1.249 121.176 119.950 -0.039 0.000 2.604 704 F HA -0.063 4.503 4.527 0.064 0.000 0.298 704 F C 1.925 177.678 175.800 -0.077 0.000 1.131 704 F CA 0.656 58.622 58.000 -0.057 0.000 1.457 704 F CB 0.073 39.038 39.000 -0.057 0.000 1.095 704 F HN -0.018 nan 8.300 nan 0.000 0.574 705 K N 0.251 120.700 120.400 0.082 0.000 2.152 705 K HA -0.206 4.153 4.320 0.064 0.000 0.206 705 K C 2.307 178.880 176.600 -0.044 0.000 1.048 705 K CA 1.139 57.425 56.287 -0.001 0.000 0.933 705 K CB -0.361 32.134 32.500 -0.008 0.000 0.721 705 K HN 0.260 nan 8.250 nan 0.000 0.447 706 A N 0.933 123.731 122.820 -0.036 0.000 1.933 706 A HA -0.162 4.196 4.320 0.064 0.000 0.218 706 A C 2.146 179.700 177.584 -0.050 0.000 1.175 706 A CA 2.015 54.023 52.037 -0.049 0.000 0.628 706 A CB -0.886 18.084 19.000 -0.051 0.000 0.814 706 A HN 0.286 nan 8.150 nan 0.000 0.444 707 T N 0.947 115.489 114.554 -0.019 0.000 2.746 707 T HA -0.121 4.268 4.350 0.064 0.000 0.267 707 T C 1.433 176.074 174.700 -0.099 0.000 1.039 707 T CA 1.539 63.629 62.100 -0.016 0.000 1.142 707 T CB -0.580 68.326 68.868 0.063 0.000 0.866 707 T HN 0.732 nan 8.240 nan 0.000 0.444 708 I N -1.437 119.023 120.570 -0.183 0.000 3.864 708 I HA 0.468 4.676 4.170 0.064 0.000 0.326 708 I C 0.079 175.954 176.117 -0.403 0.000 1.444 708 I CA -0.684 60.373 61.300 -0.406 0.000 1.195 708 I CB -0.446 37.144 38.000 -0.685 0.000 1.124 708 I HN -0.168 nan 8.210 nan 0.000 0.407 709 K N 1.987 122.262 120.400 -0.208 0.000 4.082 709 K HA -0.145 4.213 4.320 0.064 0.000 0.273 709 K C -0.923 175.598 176.600 -0.130 0.000 0.774 709 K CA 0.663 56.871 56.287 -0.131 0.000 0.637 709 K CB -1.109 31.338 32.500 -0.089 0.000 1.857 709 K HN 0.736 nan 8.250 nan 0.000 0.421 710 I N -0.635 119.853 120.570 -0.136 0.000 2.752 710 I HA 0.484 4.693 4.170 0.064 0.000 0.290 710 I C -1.343 174.744 176.117 -0.050 0.000 1.507 710 I CA 0.671 61.920 61.300 -0.084 0.000 1.038 710 I CB 1.510 39.459 38.000 -0.084 0.000 1.390 710 I HN 0.499 nan 8.210 nan 0.000 0.435 711 A N 4.795 127.605 122.820 -0.018 0.000 2.459 711 A HA -0.051 4.308 4.320 0.064 0.000 0.685 711 A C -0.104 177.473 177.584 -0.011 0.000 0.157 711 A CA 1.001 53.035 52.037 -0.005 0.000 0.058 711 A CB -0.770 18.234 19.000 0.007 0.000 3.969 711 A HN 0.899 nan 8.150 nan 0.000 0.548 712 D N -0.107 120.290 120.400 -0.005 0.000 2.331 712 D HA 0.008 4.686 4.640 0.064 0.000 0.300 712 D C 1.115 177.415 176.300 0.001 0.000 1.090 712 D CA 0.518 54.515 54.000 -0.005 0.000 0.905 712 D CB -0.161 40.636 40.800 -0.006 0.000 1.600 712 D HN 0.613 nan 8.370 nan 0.000 0.511 713 Q N 1.305 121.107 119.800 0.003 0.000 2.403 713 Q HA 0.323 4.701 4.340 0.064 0.000 0.203 713 Q C 1.056 177.059 176.000 0.006 0.000 0.932 713 Q CA 0.494 56.300 55.803 0.005 0.000 0.945 713 Q CB 1.363 30.104 28.738 0.005 0.000 1.045 713 Q HN 0.356 nan 8.270 nan 0.000 0.511 714 G N 1.680 110.484 108.800 0.006 0.000 2.603 714 G HA2 -0.148 3.850 3.960 0.064 0.000 0.686 714 G HA3 -0.148 3.850 3.960 0.064 0.000 0.686 714 G C -1.309 173.596 174.900 0.008 0.000 1.286 714 G CA -0.444 44.660 45.100 0.007 0.000 0.871 714 G HN 0.154 nan 8.290 nan 0.000 0.568 715 E N -0.334 119.870 120.200 0.008 0.000 2.335 715 E HA 0.457 4.845 4.350 0.064 0.000 0.280 715 E C -0.285 176.312 176.600 -0.006 0.000 0.918 715 E CA -0.632 55.776 56.400 0.012 0.000 0.765 715 E CB 1.265 30.990 29.700 0.042 0.000 1.218 715 E HN 0.604 nan 8.360 nan 0.000 0.425 716 E N 1.691 121.880 120.200 -0.018 0.000 2.558 716 E HA 0.226 4.614 4.350 0.064 0.000 0.255 716 E C 0.721 177.281 176.600 -0.066 0.000 0.968 716 E CA 1.614 57.988 56.400 -0.043 0.000 0.939 716 E CB 0.525 30.199 29.700 -0.043 0.000 0.921 716 E HN 0.832 nan 8.360 nan 0.000 0.477 717 G N 3.181 111.927 108.800 -0.089 0.000 2.278 717 G HA2 -0.184 3.814 3.960 0.064 0.000 0.210 717 G HA3 -0.184 3.814 3.960 0.064 0.000 0.210 717 G C -0.029 174.816 174.900 -0.092 0.000 1.000 717 G CA -0.571 44.456 45.100 -0.123 0.000 0.635 717 G HN 0.410 nan 8.290 nan 0.000 0.495 718 I N 2.355 122.893 120.570 -0.053 0.000 2.382 718 I HA 0.514 4.723 4.170 0.064 0.000 0.286 718 I C 0.321 176.391 176.117 -0.079 0.000 1.002 718 I CA -1.245 60.030 61.300 -0.042 0.000 1.135 718 I CB 1.258 39.266 38.000 0.013 0.000 1.288 718 I HN -0.086 nan 8.210 nan 0.000 0.448 719 V N 7.391 127.214 119.914 -0.151 0.000 2.432 719 V HA 0.402 4.560 4.120 0.064 0.000 0.275 719 V C 0.245 176.252 176.094 -0.146 0.000 1.043 719 V CA -0.461 61.696 62.300 -0.238 0.000 0.925 719 V CB 1.203 32.723 31.823 -0.506 0.000 0.985 719 V HN 0.859 nan 8.190 nan 0.000 0.466 720 E N 4.223 124.423 120.200 0.001 0.000 2.356 720 E HA 0.905 5.293 4.350 0.064 0.000 0.275 720 E C -0.975 175.769 176.600 0.240 0.000 0.904 720 E CA -1.048 55.452 56.400 0.167 0.000 0.757 720 E CB 2.694 32.451 29.700 0.095 0.000 1.232 720 E HN 0.802 nan 8.360 nan 0.000 0.442 721 A N 1.711 124.699 122.820 0.279 0.000 2.586 721 A HA 0.340 4.699 4.320 0.064 0.000 0.291 721 A C -0.617 177.005 177.584 0.064 0.000 1.062 721 A CA -0.636 51.506 52.037 0.175 0.000 0.666 721 A CB 1.160 20.308 19.000 0.246 0.000 1.281 721 A HN 0.598 nan 8.150 nan 0.000 0.421 722 D N 0.627 121.039 120.400 0.019 0.000 2.182 722 D HA 0.025 4.703 4.640 0.064 0.000 0.201 722 D C 1.092 177.350 176.300 -0.070 0.000 0.986 722 D CA 2.401 56.391 54.000 -0.017 0.000 0.847 722 D CB 0.048 40.839 40.800 -0.015 0.000 0.942 722 D HN 0.843 nan 8.370 nan 0.000 0.467 723 S N -1.613 114.011 115.700 -0.127 0.000 2.607 723 S HA 0.702 5.211 4.470 0.064 0.000 0.273 723 S C -0.945 173.370 174.600 -0.474 0.000 1.148 723 S CA -0.913 57.149 58.200 -0.231 0.000 0.833 723 S CB 2.118 65.229 63.200 -0.148 0.000 1.130 723 S HN 0.034 nan 8.310 nan 0.000 0.470 724 A N 1.833 124.269 122.820 -0.641 0.000 2.350 724 A HA 0.612 4.970 4.320 0.064 0.000 0.293 724 A C -0.113 177.258 177.584 -0.354 0.000 1.231 724 A CA -0.210 51.230 52.037 -0.994 0.000 0.883 724 A CB -0.970 17.548 19.000 -0.803 0.000 1.133 724 A HN 0.904 nan 8.150 nan 0.000 0.533 725 D N 1.496 121.806 120.400 -0.150 0.000 2.784 725 D HA 0.539 5.217 4.640 0.064 0.000 0.256 725 D C 1.252 177.597 176.300 0.075 0.000 1.129 725 D CA 0.103 54.093 54.000 -0.017 0.000 1.102 725 D CB -0.059 40.737 40.800 -0.007 0.000 1.330 725 D HN 0.215 nan 8.370 nan 0.000 0.626 726 G N -0.611 108.222 108.800 0.055 0.000 2.421 726 G HA2 -0.259 3.739 3.960 0.064 0.000 0.216 726 G HA3 -0.259 3.739 3.960 0.064 0.000 0.216 726 G C 1.494 176.443 174.900 0.082 0.000 1.171 726 G CA 1.312 46.448 45.100 0.060 0.000 0.775 726 G HN 0.432 nan 8.290 nan 0.000 0.543 727 S N -0.245 115.507 115.700 0.086 0.000 2.356 727 S HA -0.125 4.383 4.470 0.064 0.000 0.223 727 S C 2.071 176.748 174.600 0.129 0.000 1.032 727 S CA 1.486 59.738 58.200 0.086 0.000 1.005 727 S CB -0.430 62.815 63.200 0.075 0.000 0.867 727 S HN 0.370 nan 8.310 nan 0.000 0.449 728 F N 1.946 121.894 119.950 -0.003 0.000 2.095 728 F HA -0.068 4.498 4.527 0.064 0.000 0.298 728 F C 2.079 177.876 175.800 -0.006 0.000 1.104 728 F CA 1.702 59.700 58.000 -0.004 0.000 1.232 728 F CB -0.355 38.644 39.000 -0.002 0.000 0.987 728 F HN 0.199 nan 8.300 nan 0.000 0.475 729 M N 0.183 119.957 119.600 0.290 0.000 2.254 729 M HA -0.148 4.371 4.480 0.064 0.000 0.265 729 M C 1.764 178.083 176.300 0.033 0.000 1.066 729 M CA 1.212 56.600 55.300 0.147 0.000 1.123 729 M CB -1.337 31.357 32.600 0.158 0.000 1.388 729 M HN 0.139 nan 8.290 nan 0.000 0.425 730 D N 0.543 120.964 120.400 0.035 0.000 2.097 730 D HA -0.144 4.534 4.640 0.064 0.000 0.195 730 D C 1.973 178.257 176.300 -0.027 0.000 0.989 730 D CA 1.167 55.171 54.000 0.006 0.000 0.827 730 D CB -0.121 40.688 40.800 0.015 0.000 0.966 730 D HN 0.460 nan 8.370 nan 0.000 0.456 731 E N 0.395 120.567 120.200 -0.047 0.000 2.058 731 E HA -0.152 4.236 4.350 0.064 0.000 0.194 731 E C 2.125 178.649 176.600 -0.127 0.000 0.997 731 E CA 0.326 56.674 56.400 -0.087 0.000 0.801 731 E CB -0.108 29.523 29.700 -0.115 0.000 0.746 731 E HN 0.150 nan 8.360 nan 0.000 0.450 732 L N 1.139 122.254 121.223 -0.180 0.000 2.017 732 L HA -0.184 4.194 4.340 0.064 0.000 0.208 732 L C 2.181 178.988 176.870 -0.104 0.000 1.073 732 L CA 1.641 56.371 54.840 -0.183 0.000 0.745 732 L CB -0.621 41.298 42.059 -0.233 0.000 0.894 732 L HN 0.234 nan 8.230 nan 0.000 0.432 733 L N -0.481 120.703 121.223 -0.065 0.000 2.131 733 L HA -0.200 4.178 4.340 0.064 0.000 0.210 733 L C 2.443 179.292 176.870 -0.035 0.000 1.092 733 L CA 1.484 56.301 54.840 -0.038 0.000 0.759 733 L CB -0.687 41.361 42.059 -0.019 0.000 0.903 733 L HN 0.272 nan 8.230 nan 0.000 0.435 734 T N -0.003 114.526 114.554 -0.041 0.000 2.777 734 T HA -0.117 4.271 4.350 0.064 0.000 0.266 734 T C 1.963 176.635 174.700 -0.047 0.000 1.040 734 T CA 1.048 63.129 62.100 -0.033 0.000 1.141 734 T CB -0.166 68.683 68.868 -0.031 0.000 0.868 734 T HN 0.182 nan 8.240 nan 0.000 0.444 735 L N 0.381 121.558 121.223 -0.078 0.000 2.042 735 L HA -0.105 4.274 4.340 0.064 0.000 0.210 735 L C 2.725 179.532 176.870 -0.104 0.000 1.076 735 L CA 1.391 56.165 54.840 -0.110 0.000 0.749 735 L CB -0.545 41.428 42.059 -0.143 0.000 0.893 735 L HN 0.312 nan 8.230 nan 0.000 0.432 736 M N -0.770 118.784 119.600 -0.076 0.000 2.159 736 M HA -0.186 4.332 4.480 0.064 0.000 0.263 736 M C 2.439 178.742 176.300 0.006 0.000 1.063 736 M CA 1.748 57.023 55.300 -0.043 0.000 1.110 736 M CB -0.500 32.085 32.600 -0.026 0.000 1.374 736 M HN 0.322 nan 8.290 nan 0.000 0.411 737 A N 0.170 122.994 122.820 0.007 0.000 2.070 737 A HA 0.039 4.398 4.320 0.064 0.000 0.220 737 A C 2.101 179.725 177.584 0.067 0.000 1.159 737 A CA 1.690 53.750 52.037 0.037 0.000 0.656 737 A CB -0.613 18.402 19.000 0.026 0.000 0.800 737 A HN 0.511 nan 8.150 nan 0.000 0.453 738 A N -2.665 120.176 122.820 0.034 0.000 2.307 738 A HA 0.377 4.735 4.320 0.064 0.000 0.218 738 A C 0.909 178.527 177.584 0.057 0.000 1.228 738 A CA 1.147 53.218 52.037 0.056 0.000 0.857 738 A CB -0.452 18.539 19.000 -0.014 0.000 0.897 738 A HN 0.902 nan 8.150 nan 0.000 0.495 739 H N -1.054 117.966 119.070 -0.084 0.000 4.891 739 H HA -0.196 4.399 4.556 0.064 0.000 0.059 739 H C 0.064 175.180 175.328 -0.353 0.000 0.587 739 H CA 2.434 58.410 56.048 -0.119 0.000 0.970 739 H CB -0.565 29.234 29.762 0.063 0.000 0.535 739 H HN 0.452 nan 8.280 nan 0.000 0.802 740 R N -0.229 119.707 120.500 -0.940 0.000 2.867 740 R HA 0.612 4.990 4.340 0.064 0.000 0.268 740 R C -0.607 174.849 176.300 -1.407 0.000 1.014 740 R CA -0.321 54.977 56.100 -1.336 0.000 0.946 740 R CB 1.751 30.941 30.300 -1.850 0.000 1.208 740 R HN 0.095 nan 8.270 nan 0.000 0.477 741 V N 2.500 121.812 119.914 -1.003 0.000 2.221 741 V HA 0.104 4.262 4.120 0.064 0.000 0.258 741 V C 0.667 176.388 176.094 -0.621 0.000 1.179 741 V CA -0.409 61.475 62.300 -0.693 0.000 1.022 741 V CB -0.331 31.225 31.823 -0.445 0.000 1.228 741 V HN 0.716 nan 8.190 nan 0.000 0.487 742 W N 1.562 122.590 121.300 -0.452 0.000 2.374 742 W HA -0.174 4.524 4.660 0.064 0.000 0.288 742 W C 2.538 178.856 176.519 -0.334 0.000 1.218 742 W CA 0.845 57.844 57.345 -0.577 0.000 1.245 742 W CB -0.417 28.340 29.460 -1.173 0.000 1.126 742 W HN 0.647 nan 8.180 nan 0.000 0.545 743 S N 0.853 116.517 115.700 -0.060 0.000 2.469 743 S HA -0.184 4.325 4.470 0.064 0.000 0.238 743 S C 1.712 176.277 174.600 -0.058 0.000 0.998 743 S CA 1.031 59.211 58.200 -0.034 0.000 0.957 743 S CB -0.441 62.738 63.200 -0.036 0.000 0.764 743 S HN 0.431 nan 8.310 nan 0.000 0.514 744 R N 0.640 121.064 120.500 -0.128 0.000 2.297 744 R HA 0.267 4.645 4.340 0.064 0.000 0.197 744 R C 1.722 177.957 176.300 -0.108 0.000 0.943 744 R CA 0.231 56.236 56.100 -0.159 0.000 1.038 744 R CB -0.347 29.746 30.300 -0.345 0.000 0.957 744 R HN 0.476 nan 8.270 nan 0.000 0.484 745 I N 2.294 122.841 120.570 -0.038 0.000 2.113 745 I HA -0.251 3.957 4.170 0.064 0.000 0.242 745 I C -0.707 175.438 176.117 0.047 0.000 1.064 745 I CA 1.495 62.818 61.300 0.038 0.000 1.320 745 I CB -1.037 37.037 38.000 0.123 0.000 1.028 745 I HN 0.182 nan 8.210 nan 0.000 0.406 746 P HA -0.177 nan 4.420 nan 0.000 0.218 746 P C 1.140 178.472 177.300 0.052 0.000 1.148 746 P CA 1.620 64.752 63.100 0.053 0.000 0.822 746 P CB -0.114 31.614 31.700 0.046 0.000 0.784 747 K N -0.451 119.977 120.400 0.047 0.000 2.418 747 K HA 0.083 4.441 4.320 0.064 0.000 0.195 747 K C 2.003 178.670 176.600 0.111 0.000 1.035 747 K CA 0.425 56.762 56.287 0.083 0.000 1.003 747 K CB -0.387 32.187 32.500 0.123 0.000 0.793 747 K HN 0.297 nan 8.250 nan 0.000 0.494 748 I N -2.150 118.458 120.570 0.064 0.000 3.030 748 I HA 0.009 4.217 4.170 0.064 0.000 0.270 748 I C 0.723 176.885 176.117 0.076 0.000 1.211 748 I CA 0.940 62.283 61.300 0.072 0.000 1.479 748 I CB 0.182 38.177 38.000 -0.008 0.000 1.105 748 I HN -0.112 nan 8.210 nan 0.000 0.447 749 D N 1.889 122.334 120.400 0.074 0.000 2.336 749 D HA -0.054 4.624 4.640 0.064 0.000 0.229 749 D C 1.677 178.017 176.300 0.066 0.000 1.061 749 D CA 0.398 54.442 54.000 0.073 0.000 0.875 749 D CB 0.154 41.003 40.800 0.081 0.000 0.904 749 D HN 0.468 nan 8.370 nan 0.000 0.525 750 K N 1.157 121.596 120.400 0.064 0.000 2.308 750 K HA -0.006 4.352 4.320 0.064 0.000 0.197 750 K C 0.695 177.324 176.600 0.049 0.000 1.049 750 K CA -0.110 56.208 56.287 0.053 0.000 0.991 750 K CB 0.388 32.916 32.500 0.047 0.000 0.836 750 K HN 0.091 nan 8.250 nan 0.000 0.500 751 I N 2.165 122.771 120.570 0.061 0.000 2.598 751 I HA 0.150 4.358 4.170 0.064 0.000 0.284 751 I C -2.364 173.780 176.117 0.044 0.000 1.140 751 I CA -2.201 59.128 61.300 0.048 0.000 1.420 751 I CB -0.067 37.972 38.000 0.066 0.000 1.387 751 I HN -0.096 nan 8.210 nan 0.000 0.553 752 P HA 0.493 nan 4.420 nan 0.000 0.247 752 P C -0.652 176.700 177.300 0.087 0.000 1.756 752 P CA 0.065 63.198 63.100 0.055 0.000 1.117 752 P CB 0.209 31.936 31.700 0.046 0.000 1.869 753 A N 0.000 122.873 122.820 0.089 0.000 2.254 753 A HA 0.000 4.358 4.320 0.064 0.000 0.244 753 A CA 0.000 52.130 52.037 0.155 0.000 0.836 753 A CB 0.000 18.983 19.000 -0.029 0.000 0.831 753 A HN 0.000 nan 8.150 nan 0.000 0.486