REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1qws_1_D DATA FIRST_RESID 27 DATA SEQUENCE DSLAPEDGSH RPAAEPTPPG AQPTAPGSLK APDTRNEKLN SLEDVRKGSE DATA SEQUENCE NYALTTNQGV RIADDQNSLR AGSRGPTLLE DFILREKITH FDHERIPERI DATA SEQUENCE VHARGSAAHG YFQPYKSLSD ITKADFLSDP NKITPVFVRF STVQGGAGSA DATA SEQUENCE DTVRNIRGFA TKFYTEEGIF DLVGNNTPIF FIQDAHKFPD FVHAVKPEPH DATA SEQUENCE WAIPQGQSAH DTFWDYVSLQ PETLHNVMWA MSDRGIPRSY RTMEGFGIHT DATA SEQUENCE FRLINAEGKA TFVRFHWKPL AGKASLVWDE AQKLTGRDPD FHRRELWEAI DATA SEQUENCE EAGDFPEYEL GFQLIPEEDE FKFDFDLLDP TKLIPEELVP VQRVGKMVLN DATA SEQUENCE RNPDNFFAEN EQAAFHPGHI VPGLDFTNDP LLQGRLFSYT DTQISRLGGP DATA SEQUENCE NFHEIPINRP TCPYHNFQRD GMHRMGIDTN PANYEPNSIN DNWPRETPPG DATA SEQUENCE PKRGGFESYQ ERVEGNKVRE RSPSFGEYYS HPRLFWLSQT PFEQRHIVDG DATA SEQUENCE FSFELSKVVR PYIRERVVDQ LAHIDLTLAQ AVAKNLGIEL TDDQLNITPP DATA SEQUENCE PDVNGLKKDP SLSLYAIPDG DVKGRVVAIL LNDEVRSADL LAILKALKAK DATA SEQUENCE GVHAKLLYSR MGEVTADDGT VLPIAATFAG APSLTVDAVI VPCGNIADIA DATA SEQUENCE DNGDANYYLM EAYKHLKPIA LAGDARKFKA TIKIADQGEE GIVEADSADG DATA SEQUENCE SFMDELLTLM AAHRVWSRIP KIDKIPA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 27 D HA 0.000 nan 4.640 nan 0.000 0.175 27 D C 0.000 176.285 176.300 -0.025 0.000 2.045 27 D CA 0.000 53.988 54.000 -0.021 0.000 0.868 27 D CB 0.000 40.786 40.800 -0.023 0.000 0.688 28 S N -0.111 115.570 115.700 -0.032 0.000 4.170 28 S HA -0.051 4.433 4.470 0.023 0.000 0.454 28 S C 0.356 174.922 174.600 -0.055 0.000 0.808 28 S CA 0.246 58.421 58.200 -0.042 0.000 1.066 28 S CB -1.550 61.630 63.200 -0.033 0.000 0.678 28 S HN 0.274 nan 8.310 nan 0.000 0.636 29 L N 0.446 121.628 121.223 -0.069 0.000 2.609 29 L HA 0.448 4.801 4.340 0.023 0.000 0.230 29 L C 1.459 178.257 176.870 -0.119 0.000 1.087 29 L CA 0.669 55.463 54.840 -0.075 0.000 0.874 29 L CB -0.144 41.883 42.059 -0.053 0.000 1.114 29 L HN 0.626 nan 8.230 nan 0.000 0.488 30 A N 1.595 124.292 122.820 -0.204 0.000 2.406 30 A HA 0.393 4.726 4.320 0.023 0.000 0.243 30 A C -2.005 175.426 177.584 -0.254 0.000 1.082 30 A CA -0.696 51.108 52.037 -0.388 0.000 0.786 30 A CB -0.604 17.886 19.000 -0.851 0.000 1.029 30 A HN 0.011 nan 8.150 nan 0.000 0.495 31 P HA 0.234 nan 4.420 nan 0.000 0.278 31 P C 0.011 177.285 177.300 -0.043 0.000 1.238 31 P CA -0.227 62.829 63.100 -0.073 0.000 0.794 31 P CB 1.126 32.821 31.700 -0.008 0.000 0.955 32 E N 0.458 120.647 120.200 -0.019 0.000 2.204 32 E HA -0.187 4.177 4.350 0.023 0.000 0.194 32 E C 1.023 177.639 176.600 0.027 0.000 0.989 32 E CA 1.191 57.590 56.400 -0.002 0.000 0.824 32 E CB 0.020 29.717 29.700 -0.005 0.000 0.756 32 E HN 0.534 nan 8.360 nan 0.000 0.477 33 D N -1.043 119.379 120.400 0.038 0.000 2.348 33 D HA -0.045 4.608 4.640 0.023 0.000 0.216 33 D C 1.244 177.590 176.300 0.076 0.000 0.970 33 D CA 0.887 54.915 54.000 0.047 0.000 0.889 33 D CB -0.338 40.484 40.800 0.037 0.000 0.912 33 D HN 0.193 nan 8.370 nan 0.000 0.524 34 G N 0.219 109.104 108.800 0.142 0.000 2.160 34 G HA2 -0.320 3.653 3.960 0.023 0.000 0.244 34 G HA3 -0.320 3.653 3.960 0.023 0.000 0.244 34 G C 0.933 175.912 174.900 0.132 0.000 1.022 34 G CA 0.843 46.065 45.100 0.203 0.000 0.741 34 G HN 0.668 nan 8.290 nan 0.000 0.508 35 S N -0.055 115.749 115.700 0.173 0.000 2.528 35 S HA 0.001 4.485 4.470 0.023 0.000 0.219 35 S C 1.996 176.650 174.600 0.091 0.000 0.985 35 S CA 0.995 59.248 58.200 0.088 0.000 0.914 35 S CB -0.417 62.823 63.200 0.067 0.000 0.776 35 S HN 0.964 nan 8.310 nan 0.000 0.526 36 H N 1.450 120.527 119.070 0.010 0.000 2.489 36 H HA 0.155 4.724 4.556 0.023 0.000 0.293 36 H C 0.810 176.149 175.328 0.019 0.000 1.066 36 H CA 0.693 56.748 56.048 0.012 0.000 1.305 36 H CB -0.370 29.398 29.762 0.010 0.000 1.386 36 H HN 0.359 nan 8.280 nan 0.000 0.551 37 R N 2.750 122.965 120.500 -0.476 0.000 2.229 37 R HA 0.290 4.644 4.340 0.023 0.000 0.332 37 R C -2.361 173.854 176.300 -0.143 0.000 0.989 37 R CA -2.027 53.852 56.100 -0.369 0.000 0.842 37 R CB 1.030 31.030 30.300 -0.501 0.000 1.119 37 R HN 0.146 nan 8.270 nan 0.000 0.456 38 P HA 0.036 nan 4.420 nan 0.000 0.269 38 P C -0.932 176.360 177.300 -0.014 0.000 1.209 38 P CA -0.263 62.827 63.100 -0.018 0.000 0.776 38 P CB 0.865 32.578 31.700 0.021 0.000 0.876 39 A N 2.497 125.317 122.820 -0.001 0.000 2.488 39 A HA 0.388 4.721 4.320 0.023 0.000 0.249 39 A C 1.049 178.643 177.584 0.017 0.000 1.083 39 A CA -0.015 52.024 52.037 0.004 0.000 0.768 39 A CB -0.403 18.601 19.000 0.008 0.000 1.017 39 A HN 0.576 nan 8.150 nan 0.000 0.496 40 A N 2.605 125.434 122.820 0.014 0.000 3.029 40 A HA 0.484 4.818 4.320 0.023 0.000 0.251 40 A C 0.298 177.899 177.584 0.027 0.000 1.749 40 A CA 0.318 52.369 52.037 0.024 0.000 1.386 40 A CB -0.773 18.238 19.000 0.018 0.000 1.043 40 A HN 0.873 nan 8.150 nan 0.000 0.638 41 E N 0.222 120.440 120.200 0.031 0.000 2.375 41 E HA 0.506 4.869 4.350 0.023 0.000 0.280 41 E C -3.184 173.436 176.600 0.033 0.000 0.972 41 E CA -1.901 54.518 56.400 0.031 0.000 0.782 41 E CB 1.687 31.400 29.700 0.022 0.000 1.229 41 E HN 0.040 nan 8.360 nan 0.000 0.439 42 P HA 0.103 nan 4.420 nan 0.000 0.262 42 P C -1.163 176.146 177.300 0.014 0.000 1.182 42 P CA 0.282 63.393 63.100 0.020 0.000 0.761 42 P CB 0.436 32.133 31.700 -0.004 0.000 0.795 43 T N 0.893 115.453 114.554 0.010 0.000 2.956 43 T HA 0.531 4.894 4.350 0.023 0.000 0.312 43 T C -3.002 171.678 174.700 -0.034 0.000 1.151 43 T CA -2.515 59.587 62.100 0.003 0.000 1.024 43 T CB 1.585 70.460 68.868 0.011 0.000 1.140 43 T HN 0.062 nan 8.240 nan 0.000 0.473 44 P HA 0.230 nan 4.420 nan 0.000 0.269 44 P C -2.679 174.482 177.300 -0.232 0.000 1.211 44 P CA -1.029 61.926 63.100 -0.242 0.000 0.781 44 P CB -0.965 30.679 31.700 -0.095 0.000 0.877 45 P HA 0.085 nan 4.420 nan 0.000 0.268 45 P C 1.072 178.328 177.300 -0.072 0.000 1.204 45 P CA 1.216 64.222 63.100 -0.156 0.000 0.768 45 P CB -0.120 31.482 31.700 -0.164 0.000 0.842 46 G N 2.572 111.360 108.800 -0.020 0.000 2.234 46 G HA2 -0.353 3.621 3.960 0.023 0.000 0.260 46 G HA3 -0.353 3.621 3.960 0.023 0.000 0.260 46 G C 1.160 176.062 174.900 0.002 0.000 0.987 46 G CA 0.452 45.552 45.100 0.000 0.000 0.625 46 G HN 0.665 nan 8.290 nan 0.000 0.532 47 A N -0.809 122.007 122.820 -0.006 0.000 1.929 47 A HA 0.400 4.733 4.320 0.023 0.000 0.216 47 A C 1.346 178.935 177.584 0.010 0.000 1.176 47 A CA 2.086 54.125 52.037 0.002 0.000 0.628 47 A CB -0.046 18.953 19.000 -0.001 0.000 0.816 47 A HN 0.629 nan 8.150 nan 0.000 0.444 48 Q N -0.989 118.820 119.800 0.015 0.000 2.456 48 Q HA 0.450 4.804 4.340 0.023 0.000 0.283 48 Q C -3.024 172.994 176.000 0.030 0.000 1.084 48 Q CA -2.291 53.525 55.803 0.021 0.000 0.801 48 Q CB 0.583 29.335 28.738 0.024 0.000 1.434 48 Q HN 0.038 nan 8.270 nan 0.000 0.419 49 P HA 0.020 nan 4.420 nan 0.000 0.268 49 P C -0.170 177.166 177.300 0.060 0.000 1.204 49 P CA 0.173 63.292 63.100 0.031 0.000 0.768 49 P CB 0.241 31.955 31.700 0.023 0.000 0.842 50 T N 0.028 114.621 114.554 0.065 0.000 2.802 50 T HA 0.558 4.922 4.350 0.023 0.000 0.305 50 T C 0.061 174.856 174.700 0.158 0.000 1.053 50 T CA -0.450 61.743 62.100 0.155 0.000 1.058 50 T CB 0.577 69.497 68.868 0.087 0.000 0.988 50 T HN 0.567 nan 8.240 nan 0.000 0.539 51 A N 1.493 124.505 122.820 0.321 0.000 2.609 51 A HA 0.740 5.073 4.320 0.023 0.000 0.291 51 A C -3.089 174.762 177.584 0.444 0.000 1.096 51 A CA -2.000 50.200 52.037 0.271 0.000 0.684 51 A CB 0.559 19.663 19.000 0.174 0.000 1.282 51 A HN 0.648 nan 8.150 nan 0.000 0.412 52 P HA 0.060 nan 4.420 nan 0.000 0.263 52 P C 1.291 178.744 177.300 0.255 0.000 1.175 52 P CA 1.237 64.550 63.100 0.355 0.000 0.761 52 P CB 0.608 32.438 31.700 0.216 0.000 0.794 53 G N 2.629 111.540 108.800 0.185 0.000 2.469 53 G HA2 -0.312 3.661 3.960 0.023 0.000 0.219 53 G HA3 -0.312 3.661 3.960 0.023 0.000 0.219 53 G C 1.604 176.518 174.900 0.023 0.000 1.150 53 G CA 1.157 46.269 45.100 0.019 0.000 0.763 53 G HN 0.587 nan 8.290 nan 0.000 0.561 54 S N 0.092 115.811 115.700 0.031 0.000 2.447 54 S HA 0.100 4.584 4.470 0.023 0.000 0.233 54 S C 2.269 176.886 174.600 0.028 0.000 1.006 54 S CA 0.974 59.179 58.200 0.009 0.000 0.957 54 S CB -0.207 62.992 63.200 -0.002 0.000 0.773 54 S HN 0.335 nan 8.310 nan 0.000 0.507 55 L N 0.005 121.261 121.223 0.055 0.000 2.202 55 L HA 0.199 4.552 4.340 0.023 0.000 0.205 55 L C 2.768 179.669 176.870 0.052 0.000 1.083 55 L CA 0.938 55.810 54.840 0.053 0.000 0.790 55 L CB -0.448 41.652 42.059 0.069 0.000 0.942 55 L HN 0.239 nan 8.230 nan 0.000 0.452 56 K N 1.587 122.029 120.400 0.070 0.000 2.025 56 K HA -0.038 4.296 4.320 0.023 0.000 0.207 56 K C 0.882 177.511 176.600 0.048 0.000 1.049 56 K CA 1.611 57.940 56.287 0.069 0.000 0.933 56 K CB -0.097 32.459 32.500 0.095 0.000 0.714 56 K HN 0.175 nan 8.250 nan 0.000 0.438 57 A N 0.745 123.586 122.820 0.035 0.000 3.248 57 A HA 0.356 4.689 4.320 0.023 0.000 0.315 57 A C -2.122 175.469 177.584 0.011 0.000 0.974 57 A CA -1.064 50.992 52.037 0.031 0.000 0.939 57 A CB 0.483 19.506 19.000 0.039 0.000 1.061 57 A HN 0.189 nan 8.150 nan 0.000 0.481 58 P HA -0.129 nan 4.420 nan 0.000 0.222 58 P C 0.195 177.489 177.300 -0.009 0.000 1.147 58 P CA 1.229 64.329 63.100 -0.001 0.000 0.790 58 P CB 0.360 32.064 31.700 0.005 0.000 0.780 59 D N -1.130 119.269 120.400 -0.000 0.000 2.333 59 D HA -0.005 4.648 4.640 0.023 0.000 0.208 59 D C 0.343 176.635 176.300 -0.015 0.000 0.984 59 D CA 0.700 54.697 54.000 -0.004 0.000 0.873 59 D CB -0.636 40.170 40.800 0.009 0.000 0.935 59 D HN 0.099 nan 8.370 nan 0.000 0.521 60 T N 3.098 117.643 114.554 -0.015 0.000 2.743 60 T HA 0.235 4.599 4.350 0.023 0.000 0.290 60 T C 0.420 175.078 174.700 -0.070 0.000 0.908 60 T CA -0.227 61.849 62.100 -0.040 0.000 1.092 60 T CB 0.661 69.505 68.868 -0.041 0.000 0.882 60 T HN -0.156 nan 8.240 nan 0.000 0.531 61 R N 3.059 123.511 120.500 -0.080 0.000 2.854 61 R HA 0.664 5.017 4.340 0.023 0.000 0.271 61 R C -0.255 175.987 176.300 -0.098 0.000 0.994 61 R CA -1.065 54.981 56.100 -0.090 0.000 0.945 61 R CB 1.718 31.973 30.300 -0.075 0.000 1.194 61 R HN 0.810 nan 8.270 nan 0.000 0.476 62 N N -2.450 116.195 118.700 -0.092 0.000 2.934 62 N HA 0.083 4.837 4.740 0.023 0.000 0.253 62 N C 0.264 175.730 175.510 -0.074 0.000 1.466 62 N CA -0.781 52.228 53.050 -0.069 0.000 0.858 62 N CB 0.804 39.281 38.487 -0.017 0.000 1.459 62 N HN 0.525 nan 8.380 nan 0.000 0.532 63 E N -0.197 119.973 120.200 -0.049 0.000 2.085 63 E HA -0.275 4.089 4.350 0.023 0.000 0.194 63 E C 1.126 177.657 176.600 -0.115 0.000 0.994 63 E CA 1.501 57.865 56.400 -0.059 0.000 0.801 63 E CB 0.046 29.735 29.700 -0.019 0.000 0.743 63 E HN 0.508 nan 8.360 nan 0.000 0.453 64 K N 0.747 121.047 120.400 -0.166 0.000 2.026 64 K HA -0.107 4.227 4.320 0.023 0.000 0.208 64 K C 2.114 178.554 176.600 -0.267 0.000 1.048 64 K CA 1.232 57.328 56.287 -0.318 0.000 0.929 64 K CB -0.450 31.697 32.500 -0.588 0.000 0.713 64 K HN 0.181 nan 8.250 nan 0.000 0.439 65 L N 0.811 121.891 121.223 -0.238 0.000 2.042 65 L HA -0.228 4.126 4.340 0.023 0.000 0.210 65 L C 1.945 178.703 176.870 -0.187 0.000 1.076 65 L CA 1.332 56.007 54.840 -0.275 0.000 0.749 65 L CB -0.597 41.299 42.059 -0.273 0.000 0.893 65 L HN 0.292 nan 8.230 nan 0.000 0.432 66 N N -0.359 118.256 118.700 -0.141 0.000 2.142 66 N HA -0.158 4.596 4.740 0.023 0.000 0.186 66 N C 2.077 177.527 175.510 -0.099 0.000 1.023 66 N CA 1.667 54.656 53.050 -0.103 0.000 0.852 66 N CB -0.391 38.048 38.487 -0.079 0.000 0.998 66 N HN 0.357 nan 8.380 nan 0.000 0.424 67 S N 0.427 116.058 115.700 -0.116 0.000 2.447 67 S HA 0.006 4.490 4.470 0.023 0.000 0.233 67 S C 1.823 176.359 174.600 -0.108 0.000 1.006 67 S CA 0.479 58.616 58.200 -0.104 0.000 0.957 67 S CB -0.444 62.687 63.200 -0.115 0.000 0.773 67 S HN 0.257 nan 8.310 nan 0.000 0.507 68 L N 0.699 121.843 121.223 -0.132 0.000 2.554 68 L HA 0.177 4.531 4.340 0.023 0.000 0.226 68 L C 2.668 179.487 176.870 -0.084 0.000 1.137 68 L CA 0.594 55.363 54.840 -0.118 0.000 0.863 68 L CB -0.413 41.555 42.059 -0.151 0.000 0.985 68 L HN 0.280 nan 8.230 nan 0.000 0.451 69 E N 1.217 121.371 120.200 -0.077 0.000 2.130 69 E HA -0.279 4.085 4.350 0.023 0.000 0.196 69 E C 1.732 178.308 176.600 -0.040 0.000 0.998 69 E CA 1.651 58.019 56.400 -0.053 0.000 0.806 69 E CB -0.132 29.540 29.700 -0.046 0.000 0.738 69 E HN 0.570 nan 8.360 nan 0.000 0.459 70 D N -0.410 119.964 120.400 -0.043 0.000 2.311 70 D HA -0.147 4.507 4.640 0.023 0.000 0.212 70 D C 1.512 177.793 176.300 -0.033 0.000 0.972 70 D CA 1.692 55.670 54.000 -0.035 0.000 0.887 70 D CB -0.149 40.629 40.800 -0.036 0.000 0.915 70 D HN 0.309 nan 8.370 nan 0.000 0.497 71 V N -3.805 116.087 119.914 -0.036 0.000 3.477 71 V HA 0.347 4.481 4.120 0.023 0.000 0.297 71 V C 0.885 176.968 176.094 -0.019 0.000 1.433 71 V CA -0.720 61.563 62.300 -0.029 0.000 1.052 71 V CB -0.450 31.354 31.823 -0.031 0.000 0.895 71 V HN -0.165 nan 8.190 nan 0.000 0.438 72 R N 2.384 122.873 120.500 -0.019 0.000 2.489 72 R HA 0.354 4.708 4.340 0.023 0.000 0.287 72 R C -0.314 175.988 176.300 0.002 0.000 1.053 72 R CA 0.278 56.376 56.100 -0.003 0.000 1.036 72 R CB 0.471 30.769 30.300 -0.004 0.000 0.966 72 R HN 0.380 nan 8.270 nan 0.000 0.432 73 K N 1.887 122.294 120.400 0.013 0.000 2.358 73 K HA 0.246 4.580 4.320 0.023 0.000 0.260 73 K C 0.212 176.841 176.600 0.047 0.000 0.956 73 K CA -0.389 55.899 56.287 0.002 0.000 0.834 73 K CB 2.342 34.830 32.500 -0.019 0.000 1.102 73 K HN 0.728 nan 8.250 nan 0.000 0.431 74 G N 0.560 109.416 108.800 0.093 0.000 2.504 74 G HA2 0.201 4.174 3.960 0.023 0.000 0.257 74 G HA3 0.201 4.174 3.960 0.023 0.000 0.257 74 G C 0.636 175.692 174.900 0.260 0.000 1.451 74 G CA 0.202 45.424 45.100 0.202 0.000 1.059 74 G HN 0.622 nan 8.290 nan 0.000 0.550 75 S N -2.726 113.195 115.700 0.368 0.000 2.842 75 S HA 0.128 4.612 4.470 0.023 0.000 0.240 75 S C 0.361 175.095 174.600 0.224 0.000 0.987 75 S CA 0.016 58.412 58.200 0.326 0.000 1.166 75 S CB -0.103 63.190 63.200 0.156 0.000 0.942 75 S HN 0.556 nan 8.310 nan 0.000 0.403 76 E N 2.450 122.682 120.200 0.053 0.000 2.415 76 E HA 0.185 4.549 4.350 0.023 0.000 0.263 76 E C -0.277 176.150 176.600 -0.288 0.000 0.995 76 E CA 0.528 56.887 56.400 -0.068 0.000 0.915 76 E CB 0.070 29.740 29.700 -0.050 0.000 0.951 76 E HN 0.381 nan 8.360 nan 0.000 0.449 77 N N 1.519 120.102 118.700 -0.195 0.000 2.909 77 N HA -0.230 4.524 4.740 0.023 0.000 0.242 77 N C -1.193 174.166 175.510 -0.251 0.000 0.975 77 N CA 1.048 53.959 53.050 -0.231 0.000 0.921 77 N CB -1.525 36.802 38.487 -0.267 0.000 1.112 77 N HN 0.356 nan 8.380 nan 0.000 0.581 78 Y N 0.811 121.116 120.300 0.009 0.000 2.335 78 Y HA 0.631 5.195 4.550 0.024 0.000 0.323 78 Y C 1.108 177.011 175.900 0.005 0.000 1.224 78 Y CA -0.661 57.443 58.100 0.007 0.000 1.241 78 Y CB 0.804 39.268 38.460 0.007 0.000 1.235 78 Y HN 0.138 nan 8.280 nan 0.000 0.492 79 A N 2.588 125.522 122.820 0.191 0.000 2.407 79 A HA 0.399 4.733 4.320 0.023 0.000 0.248 79 A C -0.677 176.957 177.584 0.083 0.000 1.082 79 A CA -0.527 51.570 52.037 0.100 0.000 0.785 79 A CB 0.030 19.075 19.000 0.075 0.000 1.020 79 A HN 0.734 nan 8.150 nan 0.000 0.489 80 L N 2.809 124.062 121.223 0.049 0.000 2.319 80 L HA 0.548 4.901 4.340 0.023 0.000 0.280 80 L C 0.591 177.469 176.870 0.014 0.000 1.099 80 L CA 0.884 55.740 54.840 0.026 0.000 0.828 80 L CB 0.636 42.702 42.059 0.012 0.000 1.150 80 L HN 0.898 nan 8.230 nan 0.000 0.442 81 T N 0.301 114.858 114.554 0.004 0.000 2.864 81 T HA 0.663 5.026 4.350 0.023 0.000 0.289 81 T C 0.242 174.941 174.700 -0.002 0.000 1.082 81 T CA -0.182 61.922 62.100 0.006 0.000 1.009 81 T CB 1.042 69.915 68.868 0.008 0.000 1.234 81 T HN 0.780 nan 8.240 nan 0.000 0.526 82 T N 0.239 114.805 114.554 0.019 0.000 2.698 82 T HA 0.211 4.574 4.350 0.023 0.000 0.295 82 T C 1.121 175.833 174.700 0.019 0.000 1.007 82 T CA -0.486 61.632 62.100 0.029 0.000 0.980 82 T CB -0.086 68.838 68.868 0.094 0.000 1.036 82 T HN 0.558 nan 8.240 nan 0.000 0.526 83 N N 0.560 119.274 118.700 0.023 0.000 2.364 83 N HA -0.085 4.669 4.740 0.023 0.000 0.183 83 N C 1.693 177.218 175.510 0.025 0.000 1.022 83 N CA 0.759 53.816 53.050 0.012 0.000 0.883 83 N CB -0.242 38.259 38.487 0.024 0.000 0.965 83 N HN 0.570 nan 8.380 nan 0.000 0.438 84 Q N -0.484 119.346 119.800 0.049 0.000 2.403 84 Q HA 0.172 4.526 4.340 0.023 0.000 0.203 84 Q C 0.805 176.826 176.000 0.035 0.000 0.932 84 Q CA 0.351 56.180 55.803 0.044 0.000 0.945 84 Q CB 0.310 29.084 28.738 0.059 0.000 1.045 84 Q HN 0.414 nan 8.270 nan 0.000 0.511 85 G N 0.464 109.282 108.800 0.030 0.000 2.132 85 G HA2 -0.233 3.741 3.960 0.023 0.000 0.234 85 G HA3 -0.233 3.741 3.960 0.023 0.000 0.234 85 G C 0.042 174.965 174.900 0.038 0.000 0.989 85 G CA 0.105 45.217 45.100 0.019 0.000 0.676 85 G HN 0.226 nan 8.290 nan 0.000 0.522 86 V N 1.609 121.563 119.914 0.067 0.000 2.406 86 V HA 0.367 4.500 4.120 0.023 0.000 0.272 86 V C 1.289 177.422 176.094 0.065 0.000 1.043 86 V CA -0.602 61.751 62.300 0.088 0.000 0.915 86 V CB 1.062 32.990 31.823 0.174 0.000 0.988 86 V HN 0.416 nan 8.190 nan 0.000 0.466 87 R N 4.564 125.095 120.500 0.051 0.000 2.570 87 R HA 0.319 4.673 4.340 0.023 0.000 0.277 87 R C -0.486 175.828 176.300 0.023 0.000 1.039 87 R CA 0.052 56.172 56.100 0.034 0.000 1.065 87 R CB 0.417 30.736 30.300 0.033 0.000 0.964 87 R HN 0.575 nan 8.270 nan 0.000 0.428 88 I N 2.063 122.634 120.570 0.001 0.000 2.353 88 I HA 0.132 4.315 4.170 0.023 0.000 0.293 88 I C 0.962 177.068 176.117 -0.018 0.000 0.992 88 I CA 0.006 61.290 61.300 -0.026 0.000 1.268 88 I CB 1.886 39.858 38.000 -0.046 0.000 1.387 88 I HN 0.772 nan 8.210 nan 0.000 0.478 89 A N 3.953 126.759 122.820 -0.024 0.000 1.911 89 A HA 0.021 4.355 4.320 0.023 0.000 0.212 89 A C 0.664 178.233 177.584 -0.024 0.000 1.189 89 A CA 0.901 52.928 52.037 -0.016 0.000 0.639 89 A CB 0.077 19.071 19.000 -0.011 0.000 0.839 89 A HN 0.687 nan 8.150 nan 0.000 0.449 90 D N -0.505 119.872 120.400 -0.038 0.000 2.389 90 D HA 0.296 4.950 4.640 0.023 0.000 0.256 90 D C -1.317 174.952 176.300 -0.053 0.000 1.239 90 D CA -0.365 53.612 54.000 -0.040 0.000 0.925 90 D CB 1.050 41.827 40.800 -0.038 0.000 1.145 90 D HN 0.057 nan 8.370 nan 0.000 0.542 91 D N 1.940 122.311 120.400 -0.047 0.000 2.370 91 D HA 0.045 4.699 4.640 0.023 0.000 0.230 91 D C 0.621 176.889 176.300 -0.053 0.000 1.143 91 D CA 0.299 54.267 54.000 -0.055 0.000 0.834 91 D CB 0.490 41.263 40.800 -0.046 0.000 0.944 91 D HN 0.210 nan 8.370 nan 0.000 0.504 92 Q N -0.622 119.148 119.800 -0.050 0.000 2.280 92 Q HA 0.281 4.635 4.340 0.023 0.000 0.228 92 Q C -0.211 175.760 176.000 -0.049 0.000 0.857 92 Q CA 0.182 55.957 55.803 -0.047 0.000 0.939 92 Q CB 0.806 29.521 28.738 -0.038 0.000 1.114 92 Q HN 0.194 nan 8.270 nan 0.000 0.514 93 N N -0.085 118.584 118.700 -0.052 0.000 2.277 93 N HA 0.305 5.058 4.740 0.023 0.000 0.286 93 N C -1.005 174.471 175.510 -0.056 0.000 1.140 93 N CA -0.228 52.793 53.050 -0.049 0.000 0.799 93 N CB 2.150 40.614 38.487 -0.039 0.000 1.596 93 N HN -0.185 nan 8.380 nan 0.000 0.473 94 S N 0.801 116.471 115.700 -0.051 0.000 2.603 94 S HA 0.247 4.731 4.470 0.023 0.000 0.268 94 S C 0.259 174.834 174.600 -0.041 0.000 1.317 94 S CA -0.569 57.600 58.200 -0.050 0.000 1.012 94 S CB 0.714 63.891 63.200 -0.039 0.000 0.926 94 S HN 0.386 nan 8.310 nan 0.000 0.539 95 L N 3.550 124.748 121.223 -0.041 0.000 2.418 95 L HA 0.304 4.657 4.340 0.023 0.000 0.274 95 L C 0.223 177.085 176.870 -0.012 0.000 1.135 95 L CA 0.570 55.396 54.840 -0.024 0.000 0.870 95 L CB -0.228 41.820 42.059 -0.018 0.000 1.154 95 L HN 0.687 nan 8.230 nan 0.000 0.462 96 R N 4.235 124.729 120.500 -0.009 0.000 2.867 96 R HA 0.855 5.209 4.340 0.023 0.000 0.268 96 R C -1.018 175.282 176.300 -0.000 0.000 1.014 96 R CA -0.879 55.218 56.100 -0.004 0.000 0.946 96 R CB 1.102 31.398 30.300 -0.008 0.000 1.208 96 R HN 0.571 nan 8.270 nan 0.000 0.477 97 A N 1.296 124.117 122.820 0.002 0.000 2.666 97 A HA 0.567 4.901 4.320 0.023 0.000 0.312 97 A C 0.577 178.161 177.584 0.001 0.000 1.471 97 A CA 0.327 52.366 52.037 0.003 0.000 1.134 97 A CB -0.942 18.061 19.000 0.005 0.000 1.129 97 A HN 1.187 nan 8.150 nan 0.000 0.539 98 G N 1.198 109.998 108.800 -0.000 0.000 2.719 98 G HA2 0.053 4.026 3.960 0.023 0.000 0.686 98 G HA3 0.053 4.026 3.960 0.023 0.000 0.686 98 G C 0.659 175.556 174.900 -0.004 0.000 1.201 98 G CA 0.127 45.226 45.100 -0.002 0.000 0.768 98 G HN 1.830 nan 8.290 nan 0.000 0.629 99 S N 0.101 115.798 115.700 -0.005 0.000 2.474 99 S HA -0.015 4.469 4.470 0.023 0.000 0.235 99 S C 1.519 176.114 174.600 -0.009 0.000 0.997 99 S CA 1.407 59.603 58.200 -0.008 0.000 0.949 99 S CB 0.052 63.247 63.200 -0.008 0.000 0.766 99 S HN 0.753 nan 8.310 nan 0.000 0.517 100 R N 0.953 121.449 120.500 -0.007 0.000 2.633 100 R HA 0.349 4.703 4.340 0.023 0.000 0.348 100 R C 0.808 177.104 176.300 -0.005 0.000 1.100 100 R CA 0.031 56.127 56.100 -0.007 0.000 1.068 100 R CB 0.783 31.080 30.300 -0.006 0.000 1.351 100 R HN 0.439 nan 8.270 nan 0.000 0.575 101 G N 1.678 110.475 108.800 -0.005 0.000 2.557 101 G HA2 0.402 4.376 3.960 0.023 0.000 0.302 101 G HA3 0.402 4.376 3.960 0.023 0.000 0.302 101 G C -2.413 172.486 174.900 -0.003 0.000 1.311 101 G CA -1.143 43.956 45.100 -0.003 0.000 1.030 101 G HN -0.101 nan 8.290 nan 0.000 0.509 102 P HA 0.222 nan 4.420 nan 0.000 0.277 102 P C -0.222 177.078 177.300 0.000 0.000 1.240 102 P CA -0.064 63.037 63.100 0.000 0.000 0.798 102 P CB 0.966 32.667 31.700 0.003 0.000 0.979 103 T N 2.483 117.037 114.554 -0.001 0.000 2.907 103 T HA 0.272 4.636 4.350 0.023 0.000 0.298 103 T C 0.416 175.119 174.700 0.006 0.000 1.017 103 T CA -0.097 62.003 62.100 -0.001 0.000 1.118 103 T CB -0.043 68.823 68.868 -0.005 0.000 0.948 103 T HN 0.191 nan 8.240 nan 0.000 0.531 104 L N 3.864 125.093 121.223 0.009 0.000 2.307 104 L HA 0.314 4.668 4.340 0.023 0.000 0.282 104 L C 1.386 178.273 176.870 0.029 0.000 1.051 104 L CA -0.785 54.066 54.840 0.019 0.000 0.804 104 L CB 0.956 43.029 42.059 0.023 0.000 1.197 104 L HN 0.510 nan 8.230 nan 0.000 0.431 105 L N 2.667 123.911 121.223 0.034 0.000 2.187 105 L HA -0.216 4.138 4.340 0.023 0.000 0.213 105 L C 2.397 179.307 176.870 0.067 0.000 1.100 105 L CA 1.741 56.607 54.840 0.044 0.000 0.765 105 L CB -0.604 41.479 42.059 0.039 0.000 0.904 105 L HN 0.809 nan 8.230 nan 0.000 0.437 106 E N -1.419 118.824 120.200 0.072 0.000 2.515 106 E HA -0.207 4.157 4.350 0.023 0.000 0.201 106 E C 0.280 176.982 176.600 0.170 0.000 1.071 106 E CA 0.399 56.869 56.400 0.116 0.000 0.880 106 E CB -0.579 29.182 29.700 0.102 0.000 0.828 106 E HN 0.402 nan 8.360 nan 0.000 0.540 107 D N 1.197 121.653 120.400 0.093 0.000 2.489 107 D HA -0.057 4.597 4.640 0.023 0.000 0.237 107 D C 0.525 176.838 176.300 0.022 0.000 1.212 107 D CA -0.424 53.590 54.000 0.023 0.000 1.058 107 D CB -0.273 40.508 40.800 -0.032 0.000 1.098 107 D HN 0.300 nan 8.370 nan 0.000 0.509 108 F N 1.700 121.658 119.950 0.014 0.000 2.365 108 F HA 0.039 4.575 4.527 0.016 0.000 0.300 108 F C 1.583 177.395 175.800 0.021 0.000 1.090 108 F CA 0.248 58.259 58.000 0.019 0.000 1.408 108 F CB -0.643 38.367 39.000 0.017 0.000 1.060 108 F HN 0.185 nan 8.300 nan 0.000 0.534 109 I N 0.253 120.418 120.570 -0.675 0.000 2.277 109 I HA -0.161 4.023 4.170 0.023 0.000 0.243 109 I C 2.472 178.473 176.117 -0.194 0.000 1.094 109 I CA 0.880 61.895 61.300 -0.475 0.000 1.393 109 I CB -0.525 37.130 38.000 -0.575 0.000 1.078 109 I HN 0.258 nan 8.210 nan 0.000 0.417 110 L N 1.191 122.316 121.223 -0.164 0.000 2.013 110 L HA -0.230 4.123 4.340 0.023 0.000 0.212 110 L C 2.626 179.483 176.870 -0.022 0.000 1.073 110 L CA 1.948 56.741 54.840 -0.079 0.000 0.753 110 L CB -0.525 41.495 42.059 -0.065 0.000 0.890 110 L HN 0.065 nan 8.230 nan 0.000 0.432 111 R N -0.741 119.764 120.500 0.009 0.000 2.115 111 R HA -0.151 4.202 4.340 0.023 0.000 0.230 111 R C 2.292 178.646 176.300 0.089 0.000 1.111 111 R CA 1.363 57.499 56.100 0.060 0.000 0.976 111 R CB -0.297 30.054 30.300 0.084 0.000 0.870 111 R HN 0.612 nan 8.270 nan 0.000 0.445 112 E N 1.266 121.519 120.200 0.088 0.000 2.072 112 E HA -0.226 4.138 4.350 0.023 0.000 0.191 112 E C 1.900 178.574 176.600 0.123 0.000 0.985 112 E CA 1.156 57.626 56.400 0.118 0.000 0.801 112 E CB 0.128 29.898 29.700 0.116 0.000 0.750 112 E HN 0.123 nan 8.360 nan 0.000 0.452 113 K N 0.295 120.736 120.400 0.068 0.000 2.032 113 K HA -0.153 4.180 4.320 0.023 0.000 0.209 113 K C 2.101 178.770 176.600 0.115 0.000 1.048 113 K CA 1.573 57.898 56.287 0.064 0.000 0.927 113 K CB -0.043 32.452 32.500 -0.009 0.000 0.712 113 K HN 0.159 nan 8.250 nan 0.000 0.441 114 I N 1.132 121.755 120.570 0.089 0.000 2.353 114 I HA -0.167 4.017 4.170 0.023 0.000 0.248 114 I C 2.145 178.376 176.117 0.190 0.000 1.119 114 I CA 1.240 62.617 61.300 0.127 0.000 1.417 114 I CB -1.462 36.577 38.000 0.065 0.000 1.078 114 I HN 0.241 nan 8.210 nan 0.000 0.421 115 T N -0.091 114.566 114.554 0.172 0.000 2.684 115 T HA -0.240 4.124 4.350 0.023 0.000 0.267 115 T C 1.971 176.821 174.700 0.251 0.000 1.036 115 T CA 1.573 63.804 62.100 0.219 0.000 1.148 115 T CB -0.453 68.544 68.868 0.215 0.000 0.863 115 T HN 0.346 nan 8.240 nan 0.000 0.436 116 H N -0.234 118.936 119.070 0.166 0.000 2.353 116 H HA -0.078 4.491 4.556 0.022 0.000 0.300 116 H C 2.221 177.621 175.328 0.119 0.000 1.090 116 H CA 1.672 57.804 56.048 0.140 0.000 1.327 116 H CB -0.417 29.404 29.762 0.098 0.000 1.383 116 H HN 0.391 nan 8.280 nan 0.000 0.508 117 F N 2.091 122.101 119.950 0.098 0.000 2.095 117 F HA -0.199 4.339 4.527 0.018 0.000 0.298 117 F C 1.977 177.723 175.800 -0.091 0.000 1.104 117 F CA 1.720 59.726 58.000 0.010 0.000 1.232 117 F CB -0.381 38.620 39.000 0.003 0.000 0.987 117 F HN 0.053 nan 8.300 nan 0.000 0.475 118 D N -1.155 119.172 120.400 -0.122 0.000 2.309 118 D HA -0.148 4.506 4.640 0.023 0.000 0.212 118 D C 1.216 177.125 176.300 -0.652 0.000 0.968 118 D CA 1.233 54.987 54.000 -0.410 0.000 0.882 118 D CB -0.331 40.226 40.800 -0.404 0.000 0.918 118 D HN 0.485 nan 8.370 nan 0.000 0.503 119 H N -0.598 118.350 119.070 -0.202 0.000 2.567 119 H HA 0.220 4.786 4.556 0.017 0.000 0.267 119 H C 1.007 176.174 175.328 -0.269 0.000 1.148 119 H CA -0.131 55.798 56.048 -0.198 0.000 1.031 119 H CB 0.563 30.226 29.762 -0.165 0.000 1.691 119 H HN 0.256 nan 8.280 nan 0.000 0.588 120 E N 0.635 120.670 120.200 -0.275 0.000 2.150 120 E HA -0.049 4.314 4.350 0.023 0.000 0.193 120 E C 0.522 176.965 176.600 -0.261 0.000 0.985 120 E CA 0.553 56.765 56.400 -0.315 0.000 0.814 120 E CB 0.451 29.948 29.700 -0.339 0.000 0.752 120 E HN 0.153 nan 8.360 nan 0.000 0.466 121 R N 1.172 121.576 120.500 -0.159 0.000 2.490 121 R HA 0.341 4.695 4.340 0.023 0.000 0.278 121 R C 0.507 176.846 176.300 0.065 0.000 1.069 121 R CA -0.159 55.921 56.100 -0.033 0.000 1.080 121 R CB 0.548 30.822 30.300 -0.043 0.000 1.030 121 R HN 0.174 nan 8.270 nan 0.000 0.491 122 I N -1.246 119.424 120.570 0.167 0.000 3.002 122 I HA 0.591 4.775 4.170 0.023 0.000 0.310 122 I C -2.286 173.898 176.117 0.112 0.000 1.087 122 I CA -2.972 58.419 61.300 0.152 0.000 1.017 122 I CB 1.960 40.084 38.000 0.207 0.000 1.226 122 I HN 0.246 nan 8.210 nan 0.000 0.443 123 P HA 0.104 nan 4.420 nan 0.000 0.265 123 P C -0.911 176.424 177.300 0.059 0.000 1.193 123 P CA -0.044 63.089 63.100 0.054 0.000 0.765 123 P CB 0.411 32.133 31.700 0.036 0.000 0.823 124 E N 2.647 122.884 120.200 0.060 0.000 2.371 124 E HA 0.203 4.566 4.350 0.023 0.000 0.257 124 E C -0.456 176.175 176.600 0.052 0.000 1.134 124 E CA -0.870 55.571 56.400 0.069 0.000 0.919 124 E CB 0.613 30.358 29.700 0.076 0.000 1.025 124 E HN 0.256 nan 8.360 nan 0.000 0.438 125 R N 0.746 121.282 120.500 0.061 0.000 2.585 125 R HA -0.033 4.320 4.340 0.023 0.000 0.275 125 R C 1.088 177.427 176.300 0.065 0.000 1.018 125 R CA -0.080 56.054 56.100 0.057 0.000 1.072 125 R CB 0.144 30.500 30.300 0.093 0.000 0.953 125 R HN 0.620 nan 8.270 nan 0.000 0.419 126 I N 3.266 123.868 120.570 0.053 0.000 2.208 126 I HA -0.202 3.981 4.170 0.023 0.000 0.245 126 I C 0.482 176.654 176.117 0.092 0.000 1.097 126 I CA 1.435 62.773 61.300 0.063 0.000 1.363 126 I CB 0.357 38.395 38.000 0.063 0.000 1.051 126 I HN 0.432 nan 8.210 nan 0.000 0.413 127 V N -3.739 116.266 119.914 0.152 0.000 3.102 127 V HA 0.455 4.589 4.120 0.023 0.000 0.312 127 V C 0.136 176.406 176.094 0.294 0.000 1.135 127 V CA -0.804 61.615 62.300 0.199 0.000 1.022 127 V CB 1.439 33.461 31.823 0.331 0.000 1.056 127 V HN 0.390 nan 8.190 nan 0.000 0.436 128 H N 0.168 119.309 119.070 0.118 0.000 2.820 128 H HA -0.231 4.338 4.556 0.022 0.000 0.295 128 H C 1.574 176.956 175.328 0.091 0.000 1.187 128 H CA 0.735 56.846 56.048 0.106 0.000 1.144 128 H CB -1.184 28.632 29.762 0.090 0.000 1.354 128 H HN 1.169 nan 8.280 nan 0.000 0.395 129 A N 0.786 123.699 122.820 0.155 0.000 1.978 129 A HA -0.139 4.194 4.320 0.023 0.000 0.220 129 A C 1.718 179.395 177.584 0.156 0.000 1.170 129 A CA 1.446 53.564 52.037 0.134 0.000 0.636 129 A CB -0.109 18.948 19.000 0.095 0.000 0.810 129 A HN 0.300 nan 8.150 nan 0.000 0.448 130 R N 0.109 120.701 120.500 0.152 0.000 2.202 130 R HA 0.508 4.862 4.340 0.023 0.000 0.334 130 R C -0.108 176.321 176.300 0.215 0.000 1.036 130 R CA 0.774 56.981 56.100 0.179 0.000 0.878 130 R CB 0.228 30.616 30.300 0.147 0.000 1.067 130 R HN 0.364 nan 8.270 nan 0.000 0.457 131 G N 0.822 109.777 108.800 0.257 0.000 2.646 131 G HA2 0.509 4.483 3.960 0.023 0.000 0.291 131 G HA3 0.509 4.483 3.960 0.023 0.000 0.291 131 G C -1.632 173.432 174.900 0.273 0.000 1.445 131 G CA -0.605 44.619 45.100 0.207 0.000 0.814 131 G HN 0.505 nan 8.290 nan 0.000 0.495 132 S N -1.196 114.608 115.700 0.173 0.000 2.541 132 S HA 0.915 5.399 4.470 0.023 0.000 0.280 132 S C -0.272 174.345 174.600 0.028 0.000 1.112 132 S CA -0.073 58.287 58.200 0.267 0.000 0.925 132 S CB 1.815 65.284 63.200 0.447 0.000 1.067 132 S HN 1.737 nan 8.310 nan 0.000 0.479 133 A N 1.250 124.053 122.820 -0.029 0.000 2.556 133 A HA 1.019 5.353 4.320 0.023 0.000 0.294 133 A C -1.129 176.262 177.584 -0.321 0.000 1.091 133 A CA -0.644 51.153 52.037 -0.401 0.000 0.704 133 A CB 1.587 20.176 19.000 -0.685 0.000 1.300 133 A HN 1.419 nan 8.150 nan 0.000 0.406 134 A N 0.669 123.138 122.820 -0.585 0.000 2.606 134 A HA 0.730 5.064 4.320 0.023 0.000 0.293 134 A C -1.167 176.213 177.584 -0.339 0.000 1.082 134 A CA -0.649 51.206 52.037 -0.304 0.000 0.685 134 A CB 0.794 19.716 19.000 -0.130 0.000 1.284 134 A HN 0.881 nan 8.150 nan 0.000 0.408 135 H N -0.128 118.972 119.070 0.049 0.000 2.511 135 H HA 0.644 5.214 4.556 0.022 0.000 0.346 135 H C 0.608 175.937 175.328 0.002 0.000 1.128 135 H CA 0.940 57.075 56.048 0.145 0.000 1.342 135 H CB 1.804 31.648 29.762 0.138 0.000 1.470 135 H HN 1.104 nan 8.280 nan 0.000 0.546 136 G N 1.142 110.033 108.800 0.153 0.000 2.578 136 G HA2 0.378 4.352 3.960 0.023 0.000 0.302 136 G HA3 0.378 4.352 3.960 0.023 0.000 0.302 136 G C -2.007 173.017 174.900 0.208 0.000 1.243 136 G CA -0.695 44.456 45.100 0.086 0.000 0.843 136 G HN 0.619 nan 8.290 nan 0.000 0.486 137 Y N -1.694 118.642 120.300 0.060 0.000 2.571 137 Y HA 0.829 5.392 4.550 0.023 0.000 0.341 137 Y C -1.755 174.283 175.900 0.230 0.000 1.076 137 Y CA -1.928 56.253 58.100 0.136 0.000 1.029 137 Y CB 1.887 40.397 38.460 0.084 0.000 1.308 137 Y HN 0.778 nan 8.280 nan 0.000 0.461 138 F N 2.343 122.422 119.950 0.215 0.000 2.577 138 F HA 0.726 5.267 4.527 0.023 0.000 0.318 138 F C -1.280 174.703 175.800 0.306 0.000 1.065 138 F CA -0.661 57.472 58.000 0.220 0.000 0.929 138 F CB 2.420 41.676 39.000 0.427 0.000 1.237 138 F HN 0.790 nan 8.300 nan 0.000 0.468 139 Q N 6.246 125.465 119.800 -0.968 0.000 2.284 139 Q HA 0.455 4.809 4.340 0.023 0.000 0.269 139 Q C -2.921 172.446 176.000 -1.055 0.000 1.026 139 Q CA -2.326 53.089 55.803 -0.647 0.000 0.831 139 Q CB 3.006 31.637 28.738 -0.178 0.000 1.322 139 Q HN 0.351 nan 8.270 nan 0.000 0.419 140 P HA 0.063 nan 4.420 nan 0.000 0.277 140 P C -0.464 176.684 177.300 -0.254 0.000 1.240 140 P CA 0.086 62.924 63.100 -0.436 0.000 0.798 140 P CB 0.629 32.245 31.700 -0.138 0.000 0.979 141 Y N 0.924 121.159 120.300 -0.109 0.000 2.263 141 Y HA -0.077 4.487 4.550 0.023 0.000 0.292 141 Y C 1.483 177.353 175.900 -0.049 0.000 1.130 141 Y CA 0.612 58.672 58.100 -0.067 0.000 1.179 141 Y CB 0.142 38.571 38.460 -0.053 0.000 0.998 141 Y HN 0.364 nan 8.280 nan 0.000 0.532 142 K N -1.012 119.448 120.400 0.099 0.000 2.533 142 K HA 0.425 4.758 4.320 0.023 0.000 0.272 142 K C -0.825 175.776 176.600 0.001 0.000 0.985 142 K CA -0.971 55.342 56.287 0.044 0.000 0.876 142 K CB 1.612 34.139 32.500 0.045 0.000 1.452 142 K HN -0.253 nan 8.250 nan 0.000 0.439 143 S N 0.962 116.661 115.700 -0.002 0.000 2.537 143 S HA 0.106 4.590 4.470 0.023 0.000 0.286 143 S C 0.455 175.041 174.600 -0.023 0.000 1.299 143 S CA -0.596 57.594 58.200 -0.016 0.000 1.067 143 S CB -0.240 62.955 63.200 -0.008 0.000 0.864 143 S HN 0.562 nan 8.310 nan 0.000 0.494 144 L N 4.880 126.078 121.223 -0.041 0.000 2.791 144 L HA 0.147 4.501 4.340 0.023 0.000 0.239 144 L C 1.951 178.806 176.870 -0.026 0.000 1.203 144 L CA -0.184 54.640 54.840 -0.028 0.000 1.002 144 L CB -0.366 41.678 42.059 -0.025 0.000 1.295 144 L HN 0.628 nan 8.230 nan 0.000 0.504 145 S N 0.406 116.089 115.700 -0.028 0.000 2.407 145 S HA -0.205 4.279 4.470 0.023 0.000 0.235 145 S C 1.358 175.943 174.600 -0.025 0.000 1.036 145 S CA 1.591 59.774 58.200 -0.028 0.000 1.013 145 S CB -0.096 63.093 63.200 -0.020 0.000 0.820 145 S HN 0.515 nan 8.310 nan 0.000 0.476 146 D N 1.096 121.486 120.400 -0.017 0.000 2.218 146 D HA -0.053 4.601 4.640 0.023 0.000 0.204 146 D C 1.661 177.947 176.300 -0.022 0.000 0.976 146 D CA 0.960 54.950 54.000 -0.016 0.000 0.853 146 D CB -0.140 40.656 40.800 -0.007 0.000 0.939 146 D HN 0.670 nan 8.370 nan 0.000 0.481 147 I N -4.490 116.068 120.570 -0.020 0.000 4.288 147 I HA 0.243 4.427 4.170 0.023 0.000 0.331 147 I C 0.298 176.381 176.117 -0.057 0.000 1.322 147 I CA -0.036 61.245 61.300 -0.030 0.000 1.149 147 I CB 1.162 39.164 38.000 0.004 0.000 1.112 147 I HN -0.244 nan 8.210 nan 0.000 0.403 148 T N 1.621 116.142 114.554 -0.054 0.000 3.097 148 T HA 0.287 4.650 4.350 0.023 0.000 0.332 148 T C -0.113 174.541 174.700 -0.077 0.000 1.269 148 T CA -0.665 61.386 62.100 -0.081 0.000 1.076 148 T CB 1.653 70.467 68.868 -0.089 0.000 1.209 148 T HN 0.443 nan 8.240 nan 0.000 0.474 149 K N 2.666 123.019 120.400 -0.078 0.000 2.417 149 K HA 0.585 4.919 4.320 0.023 0.000 0.196 149 K C 0.791 177.360 176.600 -0.052 0.000 1.023 149 K CA -0.235 56.017 56.287 -0.058 0.000 1.122 149 K CB 0.254 32.724 32.500 -0.050 0.000 0.850 149 K HN 0.511 nan 8.250 nan 0.000 0.521 150 A N 2.195 124.965 122.820 -0.083 0.000 2.545 150 A HA -0.070 4.263 4.320 0.023 0.000 0.253 150 A C 0.582 178.140 177.584 -0.043 0.000 1.074 150 A CA 0.141 52.141 52.037 -0.062 0.000 0.760 150 A CB -0.016 18.892 19.000 -0.153 0.000 1.005 150 A HN 0.465 nan 8.150 nan 0.000 0.506 151 D N 2.329 122.773 120.400 0.073 0.000 2.123 151 D HA -0.239 4.415 4.640 0.023 0.000 0.196 151 D C 1.369 177.747 176.300 0.129 0.000 0.992 151 D CA 2.278 56.333 54.000 0.092 0.000 0.833 151 D CB -0.244 40.629 40.800 0.122 0.000 0.954 151 D HN 0.749 nan 8.370 nan 0.000 0.455 152 F N -0.665 119.307 119.950 0.036 0.000 2.641 152 F HA 0.136 4.677 4.527 0.023 0.000 0.298 152 F C 1.056 176.944 175.800 0.147 0.000 1.146 152 F CA 0.405 58.467 58.000 0.103 0.000 1.464 152 F CB -0.205 38.854 39.000 0.098 0.000 1.101 152 F HN -0.048 nan 8.300 nan 0.000 0.585 153 L N 0.799 121.728 121.223 -0.489 0.000 2.857 153 L HA 0.190 4.544 4.340 0.023 0.000 0.249 153 L C 1.813 178.589 176.870 -0.155 0.000 1.172 153 L CA 0.345 54.946 54.840 -0.399 0.000 0.980 153 L CB -0.035 41.667 42.059 -0.595 0.000 1.299 153 L HN 0.340 nan 8.230 nan 0.000 0.535 154 S N -2.561 113.095 115.700 -0.074 0.000 2.524 154 S HA 0.068 4.552 4.470 0.023 0.000 0.216 154 S C 0.330 174.926 174.600 -0.006 0.000 0.987 154 S CA -0.159 58.022 58.200 -0.032 0.000 0.909 154 S CB 0.241 63.436 63.200 -0.007 0.000 0.781 154 S HN 0.332 nan 8.310 nan 0.000 0.521 155 D N 0.640 121.044 120.400 0.006 0.000 2.931 155 D HA 0.303 4.956 4.640 0.023 0.000 0.215 155 D C -2.565 173.747 176.300 0.019 0.000 1.297 155 D CA -1.681 52.329 54.000 0.018 0.000 0.892 155 D CB 2.110 42.928 40.800 0.031 0.000 1.642 155 D HN -0.161 nan 8.370 nan 0.000 0.560 156 P HA -0.066 nan 4.420 nan 0.000 0.225 156 P C 0.531 177.845 177.300 0.023 0.000 1.148 156 P CA 0.662 63.769 63.100 0.012 0.000 0.779 156 P CB 0.483 32.202 31.700 0.033 0.000 0.780 157 N N -0.454 118.265 118.700 0.031 0.000 2.336 157 N HA 0.004 4.757 4.740 0.023 0.000 0.189 157 N C 0.684 176.224 175.510 0.050 0.000 1.113 157 N CA 0.217 53.289 53.050 0.036 0.000 0.858 157 N CB 0.173 38.677 38.487 0.030 0.000 0.970 157 N HN 0.261 nan 8.380 nan 0.000 0.471 158 K N 1.566 122.005 120.400 0.065 0.000 2.316 158 K HA 0.262 4.596 4.320 0.023 0.000 0.289 158 K C -0.501 176.188 176.600 0.149 0.000 1.070 158 K CA -0.079 56.270 56.287 0.104 0.000 0.928 158 K CB 0.400 32.971 32.500 0.119 0.000 1.039 158 K HN -0.030 nan 8.250 nan 0.000 0.480 159 I N 3.359 124.022 120.570 0.156 0.000 2.359 159 I HA 0.149 4.333 4.170 0.023 0.000 0.294 159 I C -0.105 176.185 176.117 0.288 0.000 0.987 159 I CA -0.573 60.855 61.300 0.213 0.000 1.225 159 I CB 2.055 40.132 38.000 0.128 0.000 1.366 159 I HN 0.491 nan 8.210 nan 0.000 0.466 160 T N 7.173 121.986 114.554 0.432 0.000 2.772 160 T HA 0.337 4.701 4.350 0.023 0.000 0.288 160 T C -2.474 172.487 174.700 0.435 0.000 0.994 160 T CA -1.377 61.000 62.100 0.462 0.000 0.951 160 T CB 1.429 70.681 68.868 0.642 0.000 0.933 160 T HN 0.238 nan 8.240 nan 0.000 0.447 161 P HA 0.193 nan 4.420 nan 0.000 0.266 161 P C -0.580 176.962 177.300 0.404 0.000 1.195 161 P CA -0.347 62.949 63.100 0.327 0.000 0.768 161 P CB 0.488 32.306 31.700 0.196 0.000 0.838 162 V N 0.336 120.425 119.914 0.292 0.000 3.001 162 V HA 0.715 4.849 4.120 0.023 0.000 0.314 162 V C -1.173 175.087 176.094 0.277 0.000 1.099 162 V CA -0.960 61.419 62.300 0.132 0.000 0.989 162 V CB 2.191 33.873 31.823 -0.236 0.000 1.040 162 V HN 0.296 nan 8.190 nan 0.000 0.434 163 F N 2.010 121.948 119.950 -0.019 0.000 2.518 163 F HA 0.840 5.380 4.527 0.023 0.000 0.323 163 F C -0.743 174.952 175.800 -0.175 0.000 1.129 163 F CA -0.777 57.147 58.000 -0.126 0.000 0.920 163 F CB 1.991 40.945 39.000 -0.078 0.000 1.160 163 F HN 0.513 nan 8.300 nan 0.000 0.440 164 V N 6.575 126.031 119.914 -0.763 0.000 2.555 164 V HA 0.590 4.724 4.120 0.023 0.000 0.302 164 V C -0.683 174.737 176.094 -1.122 0.000 1.038 164 V CA -0.827 60.934 62.300 -0.899 0.000 0.887 164 V CB 1.966 33.200 31.823 -0.981 0.000 0.991 164 V HN 0.748 nan 8.190 nan 0.000 0.434 165 R N 3.276 123.101 120.500 -1.126 0.000 2.561 165 R HA 0.663 5.017 4.340 0.023 0.000 0.297 165 R C -1.755 173.896 176.300 -1.082 0.000 0.969 165 R CA -0.438 55.095 56.100 -0.945 0.000 0.879 165 R CB 1.419 31.353 30.300 -0.609 0.000 1.178 165 R HN 0.549 nan 8.270 nan 0.000 0.445 166 F N 1.629 121.148 119.950 -0.719 0.000 2.470 166 F HA 0.565 5.106 4.527 0.023 0.000 0.329 166 F C 0.289 175.737 175.800 -0.588 0.000 1.072 166 F CA -0.339 57.126 58.000 -0.891 0.000 0.989 166 F CB 2.309 40.243 39.000 -1.776 0.000 1.193 166 F HN 0.603 nan 8.300 nan 0.000 0.481 167 S N -1.118 114.527 115.700 -0.090 0.000 2.625 167 S HA 0.663 5.147 4.470 0.023 0.000 0.271 167 S C -0.582 174.166 174.600 0.247 0.000 1.161 167 S CA -0.903 57.378 58.200 0.135 0.000 0.820 167 S CB 1.420 64.748 63.200 0.213 0.000 1.137 167 S HN 0.720 nan 8.310 nan 0.000 0.470 168 T N -1.518 113.172 114.554 0.227 0.000 2.891 168 T HA 0.682 5.045 4.350 0.023 0.000 0.294 168 T C 0.789 175.465 174.700 -0.040 0.000 1.065 168 T CA -0.184 62.009 62.100 0.155 0.000 0.936 168 T CB 0.296 69.258 68.868 0.156 0.000 1.415 168 T HN 0.544 nan 8.240 nan 0.000 0.572 169 V N 0.532 120.382 119.914 -0.107 0.000 2.950 169 V HA 0.054 4.188 4.120 0.023 0.000 0.231 169 V C 2.688 178.698 176.094 -0.140 0.000 1.205 169 V CA 0.544 62.653 62.300 -0.318 0.000 1.239 169 V CB -0.533 31.200 31.823 -0.150 0.000 1.050 169 V HN 0.848 nan 8.190 nan 0.000 0.498 170 Q N 1.000 120.755 119.800 -0.075 0.000 2.123 170 Q HA 0.178 4.532 4.340 0.023 0.000 0.196 170 Q C 1.349 177.322 176.000 -0.045 0.000 0.958 170 Q CA 1.071 56.829 55.803 -0.075 0.000 0.841 170 Q CB -0.267 28.411 28.738 -0.100 0.000 0.915 170 Q HN 0.591 nan 8.270 nan 0.000 0.455 171 G N 0.431 109.218 108.800 -0.021 0.000 2.537 171 G HA2 0.438 4.412 3.960 0.023 0.000 0.273 171 G HA3 0.438 4.412 3.960 0.023 0.000 0.273 171 G C 0.048 174.954 174.900 0.010 0.000 1.189 171 G CA -0.113 44.980 45.100 -0.012 0.000 0.881 171 G HN 0.208 nan 8.290 nan 0.000 0.535 172 G N -1.178 107.625 108.800 0.005 0.000 2.611 172 G HA2 0.467 4.441 3.960 0.023 0.000 0.273 172 G HA3 0.467 4.441 3.960 0.023 0.000 0.273 172 G C 1.308 176.238 174.900 0.050 0.000 1.305 172 G CA 0.432 45.546 45.100 0.023 0.000 1.010 172 G HN 1.055 nan 8.290 nan 0.000 0.509 173 A N -1.048 121.813 122.820 0.067 0.000 2.067 173 A HA 0.183 4.517 4.320 0.023 0.000 0.219 173 A C 2.169 179.792 177.584 0.065 0.000 1.158 173 A CA 1.826 53.923 52.037 0.099 0.000 0.661 173 A CB -0.295 18.783 19.000 0.130 0.000 0.801 173 A HN 1.070 nan 8.150 nan 0.000 0.452 174 G N -0.082 108.737 108.800 0.032 0.000 3.284 174 G HA2 0.327 4.301 3.960 0.023 0.000 0.236 174 G HA3 0.327 4.301 3.960 0.023 0.000 0.236 174 G C 0.712 175.613 174.900 0.001 0.000 1.158 174 G CA 0.641 45.744 45.100 0.005 0.000 0.774 174 G HN 0.633 nan 8.290 nan 0.000 0.545 175 S N -0.175 115.534 115.700 0.015 0.000 2.661 175 S HA 0.738 5.222 4.470 0.023 0.000 0.265 175 S C 0.463 175.075 174.600 0.020 0.000 1.225 175 S CA -0.062 58.144 58.200 0.009 0.000 0.986 175 S CB 1.531 64.737 63.200 0.010 0.000 1.008 175 S HN 0.556 nan 8.310 nan 0.000 0.565 176 A N 0.118 122.945 122.820 0.012 0.000 2.302 176 A HA 0.450 4.783 4.320 0.023 0.000 0.285 176 A C 0.622 178.225 177.584 0.032 0.000 1.105 176 A CA -0.614 51.427 52.037 0.006 0.000 0.816 176 A CB -0.033 18.953 19.000 -0.024 0.000 1.067 176 A HN 0.855 nan 8.150 nan 0.000 0.489 177 D N 0.556 120.963 120.400 0.013 0.000 2.103 177 D HA -0.076 4.578 4.640 0.023 0.000 0.199 177 D C 1.553 177.834 176.300 -0.031 0.000 0.978 177 D CA 2.310 56.325 54.000 0.024 0.000 0.829 177 D CB -0.263 40.500 40.800 -0.062 0.000 0.981 177 D HN 0.673 nan 8.370 nan 0.000 0.464 178 T N -0.157 114.305 114.554 -0.154 0.000 3.327 178 T HA 0.308 4.672 4.350 0.023 0.000 0.241 178 T C 0.784 175.483 174.700 -0.003 0.000 0.907 178 T CA -0.594 61.420 62.100 -0.142 0.000 0.931 178 T CB -0.885 67.829 68.868 -0.257 0.000 1.112 178 T HN -0.070 nan 8.240 nan 0.000 0.589 179 V N -1.249 118.711 119.914 0.076 0.000 3.185 179 V HA 0.439 4.573 4.120 0.023 0.000 0.305 179 V C 0.712 176.952 176.094 0.243 0.000 1.090 179 V CA -1.441 60.951 62.300 0.154 0.000 1.107 179 V CB 0.422 32.322 31.823 0.127 0.000 1.061 179 V HN 0.552 nan 8.190 nan 0.000 0.480 180 R N 2.526 123.229 120.500 0.339 0.000 2.248 180 R HA 0.431 4.785 4.340 0.023 0.000 0.328 180 R C -0.367 176.026 176.300 0.154 0.000 1.067 180 R CA 0.077 56.331 56.100 0.257 0.000 0.924 180 R CB -0.188 30.200 30.300 0.145 0.000 1.013 180 R HN 1.052 nan 8.270 nan 0.000 0.454 181 N N 3.783 122.584 118.700 0.168 0.000 3.043 181 N HA 0.157 4.911 4.740 0.023 0.000 0.243 181 N C -0.988 174.644 175.510 0.204 0.000 1.347 181 N CA -0.838 52.302 53.050 0.149 0.000 0.896 181 N CB 1.095 39.665 38.487 0.137 0.000 1.501 181 N HN 0.271 nan 8.380 nan 0.000 0.504 182 I N 1.828 122.541 120.570 0.238 0.000 2.892 182 I HA 0.067 4.251 4.170 0.023 0.000 0.287 182 I C 0.700 176.966 176.117 0.249 0.000 1.205 182 I CA 0.515 61.962 61.300 0.245 0.000 1.409 182 I CB -0.122 38.058 38.000 0.301 0.000 1.367 182 I HN 0.351 nan 8.210 nan 0.000 0.597 183 R N 3.225 123.890 120.500 0.275 0.000 2.532 183 R HA 0.546 4.900 4.340 0.023 0.000 0.295 183 R C 0.008 176.505 176.300 0.329 0.000 0.968 183 R CA -0.757 55.523 56.100 0.299 0.000 0.916 183 R CB 1.349 31.843 30.300 0.323 0.000 1.124 183 R HN 0.796 nan 8.270 nan 0.000 0.463 184 G N 1.029 110.041 108.800 0.354 0.000 2.444 184 G HA2 0.422 4.395 3.960 0.023 0.000 0.268 184 G HA3 0.422 4.395 3.960 0.023 0.000 0.268 184 G C -1.214 173.756 174.900 0.116 0.000 1.203 184 G CA -0.065 45.196 45.100 0.269 0.000 0.835 184 G HN 0.363 nan 8.290 nan 0.000 0.543 185 F N 2.180 122.030 119.950 -0.166 0.000 2.810 185 F HA 0.643 5.183 4.527 0.023 0.000 0.373 185 F C -0.120 175.372 175.800 -0.514 0.000 1.174 185 F CA -1.801 55.990 58.000 -0.347 0.000 1.141 185 F CB 1.055 39.972 39.000 -0.137 0.000 1.420 185 F HN 0.653 nan 8.300 nan 0.000 0.518 186 A N 3.218 125.752 122.820 -0.477 0.000 2.318 186 A HA 0.798 5.132 4.320 0.023 0.000 0.324 186 A C -0.652 176.464 177.584 -0.780 0.000 1.170 186 A CA -0.470 51.128 52.037 -0.731 0.000 0.810 186 A CB 0.930 19.135 19.000 -1.324 0.000 1.198 186 A HN 0.523 nan 8.150 nan 0.000 0.484 187 T N 2.267 116.530 114.554 -0.485 0.000 2.847 187 T HA 0.361 4.724 4.350 0.023 0.000 0.291 187 T C -0.393 174.107 174.700 -0.333 0.000 0.998 187 T CA -0.433 61.392 62.100 -0.458 0.000 0.967 187 T CB 0.970 69.520 68.868 -0.529 0.000 0.954 187 T HN 0.629 nan 8.240 nan 0.000 0.441 188 K N 3.509 123.801 120.400 -0.181 0.000 2.253 188 K HA 0.450 4.783 4.320 0.023 0.000 0.277 188 K C -1.227 175.037 176.600 -0.559 0.000 1.053 188 K CA -0.545 55.549 56.287 -0.322 0.000 0.892 188 K CB 0.296 32.544 32.500 -0.421 0.000 1.102 188 K HN 0.385 nan 8.250 nan 0.000 0.469 189 F N 4.346 124.001 119.950 -0.491 0.000 2.385 189 F HA 0.238 4.778 4.527 0.023 0.000 0.360 189 F C -0.443 175.150 175.800 -0.345 0.000 1.122 189 F CA -0.591 57.188 58.000 -0.368 0.000 1.090 189 F CB 0.740 39.437 39.000 -0.504 0.000 1.150 189 F HN 0.440 nan 8.300 nan 0.000 0.472 190 Y N 1.872 122.228 120.300 0.094 0.000 2.632 190 Y HA 0.231 4.794 4.550 0.022 0.000 0.336 190 Y C 1.018 176.971 175.900 0.088 0.000 1.237 190 Y CA -0.839 57.297 58.100 0.060 0.000 1.595 190 Y CB -0.178 38.308 38.460 0.044 0.000 1.508 190 Y HN 0.544 nan 8.280 nan 0.000 0.480 191 T N -2.405 112.243 114.554 0.158 0.000 2.847 191 T HA 0.196 4.560 4.350 0.023 0.000 0.279 191 T C 0.983 175.772 174.700 0.148 0.000 0.984 191 T CA -0.707 61.488 62.100 0.158 0.000 0.988 191 T CB 1.150 70.080 68.868 0.103 0.000 1.040 191 T HN 0.637 nan 8.240 nan 0.000 0.528 192 E N -0.069 120.223 120.200 0.153 0.000 2.418 192 E HA -0.031 4.333 4.350 0.023 0.000 0.197 192 E C 1.017 177.682 176.600 0.107 0.000 1.026 192 E CA 0.692 57.165 56.400 0.123 0.000 0.862 192 E CB 0.135 29.906 29.700 0.118 0.000 0.799 192 E HN 0.722 nan 8.360 nan 0.000 0.518 193 E N -0.010 120.256 120.200 0.109 0.000 2.651 193 E HA 0.260 4.624 4.350 0.023 0.000 0.208 193 E C -0.056 176.591 176.600 0.078 0.000 0.997 193 E CA -0.282 56.175 56.400 0.095 0.000 1.020 193 E CB 1.343 31.102 29.700 0.100 0.000 1.052 193 E HN 0.177 nan 8.360 nan 0.000 0.465 194 G N 1.019 109.858 108.800 0.067 0.000 2.362 194 G HA2 -0.095 3.879 3.960 0.023 0.000 0.656 194 G HA3 -0.095 3.879 3.960 0.023 0.000 0.656 194 G C -1.023 173.882 174.900 0.008 0.000 1.376 194 G CA -1.135 43.982 45.100 0.028 0.000 0.971 194 G HN 0.003 nan 8.290 nan 0.000 0.636 195 I N 0.848 121.388 120.570 -0.049 0.000 2.556 195 I HA 0.401 4.585 4.170 0.023 0.000 0.284 195 I C 0.173 176.291 176.117 0.002 0.000 1.114 195 I CA -0.298 60.946 61.300 -0.093 0.000 1.418 195 I CB 0.666 38.539 38.000 -0.211 0.000 1.394 195 I HN 0.470 nan 8.210 nan 0.000 0.552 196 F N 6.833 126.669 119.950 -0.190 0.000 2.427 196 F HA 0.453 4.994 4.527 0.023 0.000 0.348 196 F C -0.528 175.229 175.800 -0.071 0.000 1.125 196 F CA -1.213 56.673 58.000 -0.191 0.000 0.989 196 F CB 0.741 39.466 39.000 -0.459 0.000 1.165 196 F HN 0.352 nan 8.300 nan 0.000 0.442 197 D N 6.494 126.706 120.400 -0.313 0.000 2.280 197 D HA 0.272 4.925 4.640 0.023 0.000 0.236 197 D C -1.030 174.773 176.300 -0.828 0.000 1.082 197 D CA -0.101 53.638 54.000 -0.435 0.000 0.834 197 D CB 2.154 42.905 40.800 -0.082 0.000 1.100 197 D HN 0.488 nan 8.370 nan 0.000 0.486 198 L N 3.849 124.561 121.223 -0.852 0.000 2.277 198 L HA 0.298 4.652 4.340 0.023 0.000 0.284 198 L C -1.096 175.538 176.870 -0.394 0.000 1.028 198 L CA -0.685 53.716 54.840 -0.732 0.000 0.835 198 L CB 1.238 42.883 42.059 -0.691 0.000 1.215 198 L HN 0.087 nan 8.230 nan 0.000 0.425 199 V N 6.105 125.829 119.914 -0.317 0.000 2.259 199 V HA 0.729 4.863 4.120 0.023 0.000 0.267 199 V C 0.767 176.750 176.094 -0.185 0.000 1.051 199 V CA -0.058 62.068 62.300 -0.290 0.000 0.830 199 V CB 0.294 31.902 31.823 -0.359 0.000 1.080 199 V HN 0.864 nan 8.190 nan 0.000 0.467 200 G N 3.143 111.856 108.800 -0.144 0.000 2.932 200 G HA2 0.663 4.637 3.960 0.023 0.000 0.283 200 G HA3 0.663 4.637 3.960 0.023 0.000 0.283 200 G C -0.877 174.043 174.900 0.034 0.000 1.336 200 G CA -0.589 44.480 45.100 -0.051 0.000 1.056 200 G HN 0.469 nan 8.290 nan 0.000 0.522 201 N N -1.012 117.756 118.700 0.113 0.000 2.966 201 N HA 0.248 5.001 4.740 0.023 0.000 0.314 201 N C 0.432 176.122 175.510 0.300 0.000 1.397 201 N CA -0.739 52.440 53.050 0.215 0.000 0.776 201 N CB 1.287 39.896 38.487 0.204 0.000 1.576 201 N HN 0.531 nan 8.380 nan 0.000 0.592 202 N N -1.277 117.615 118.700 0.320 0.000 2.270 202 N HA -0.004 4.750 4.740 0.023 0.000 0.198 202 N C -0.516 175.235 175.510 0.402 0.000 1.117 202 N CA -0.058 53.231 53.050 0.398 0.000 0.845 202 N CB -0.130 38.573 38.487 0.360 0.000 0.980 202 N HN 0.546 nan 8.380 nan 0.000 0.486 203 T N -3.565 111.049 114.554 0.100 0.000 2.906 203 T HA 0.462 4.825 4.350 0.023 0.000 0.295 203 T C -2.666 171.399 174.700 -1.059 0.000 1.075 203 T CA -1.575 60.142 62.100 -0.638 0.000 1.005 203 T CB 2.958 71.350 68.868 -0.793 0.000 1.136 203 T HN -0.216 nan 8.240 nan 0.000 0.498 204 P HA 0.232 nan 4.420 nan 0.000 0.257 204 P C 0.251 177.025 177.300 -0.877 0.000 1.281 204 P CA -0.036 62.136 63.100 -1.547 0.000 0.826 204 P CB -0.027 30.637 31.700 -1.726 0.000 1.237 205 I N -4.323 115.708 120.570 -0.898 0.000 3.174 205 I HA 0.549 4.733 4.170 0.023 0.000 0.313 205 I C -1.389 174.446 176.117 -0.470 0.000 1.155 205 I CA -1.871 59.061 61.300 -0.614 0.000 0.977 205 I CB 1.547 39.151 38.000 -0.659 0.000 1.248 205 I HN -0.250 nan 8.210 nan 0.000 0.453 206 F N 0.830 120.500 119.950 -0.466 0.000 2.585 206 F HA 0.510 5.051 4.527 0.023 0.000 0.350 206 F C 0.464 176.027 175.800 -0.396 0.000 1.074 206 F CA -0.649 57.112 58.000 -0.399 0.000 1.032 206 F CB 1.707 40.594 39.000 -0.189 0.000 1.330 206 F HN 0.398 nan 8.300 nan 0.000 0.495 207 F N 1.789 120.966 119.950 -1.289 0.000 2.259 207 F HA 0.059 4.599 4.527 0.023 0.000 0.298 207 F C 0.602 176.128 175.800 -0.456 0.000 1.088 207 F CA 0.792 58.240 58.000 -0.920 0.000 1.358 207 F CB -0.121 37.933 39.000 -1.577 0.000 1.040 207 F HN 0.128 nan 8.300 nan 0.000 0.505 208 I N -3.482 117.071 120.570 -0.029 0.000 3.002 208 I HA 0.379 4.563 4.170 0.023 0.000 0.310 208 I C 0.338 176.597 176.117 0.236 0.000 1.087 208 I CA -0.840 60.546 61.300 0.143 0.000 1.017 208 I CB 1.847 39.986 38.000 0.232 0.000 1.226 208 I HN -0.171 nan 8.210 nan 0.000 0.443 209 Q N 0.194 120.134 119.800 0.233 0.000 2.324 209 Q HA 0.163 4.517 4.340 0.023 0.000 0.207 209 Q C -0.339 175.826 176.000 0.274 0.000 0.928 209 Q CA 0.568 56.549 55.803 0.296 0.000 0.890 209 Q CB 0.543 29.527 28.738 0.411 0.000 1.001 209 Q HN 0.653 nan 8.270 nan 0.000 0.517 210 D N -0.986 119.547 120.400 0.222 0.000 2.649 210 D HA 0.312 4.966 4.640 0.023 0.000 0.249 210 D C 0.037 176.456 176.300 0.198 0.000 1.112 210 D CA -0.228 53.871 54.000 0.166 0.000 0.850 210 D CB 1.846 42.718 40.800 0.121 0.000 1.399 210 D HN 0.044 nan 8.370 nan 0.000 0.503 211 A N 3.401 126.309 122.820 0.145 0.000 2.032 211 A HA -0.254 4.079 4.320 0.023 0.000 0.221 211 A C 1.790 179.494 177.584 0.200 0.000 1.165 211 A CA 1.786 53.906 52.037 0.138 0.000 0.645 211 A CB -0.792 18.235 19.000 0.045 0.000 0.807 211 A HN 0.819 nan 8.150 nan 0.000 0.453 212 H N -0.008 119.119 119.070 0.095 0.000 2.457 212 H HA -0.029 4.541 4.556 0.023 0.000 0.297 212 H C 1.600 177.007 175.328 0.132 0.000 1.092 212 H CA 1.865 57.965 56.048 0.086 0.000 1.309 212 H CB 0.099 29.888 29.762 0.045 0.000 1.382 212 H HN 0.373 nan 8.280 nan 0.000 0.535 213 K N -0.565 119.971 120.400 0.226 0.000 2.444 213 K HA -0.052 4.281 4.320 0.023 0.000 0.193 213 K C 1.507 178.253 176.600 0.244 0.000 1.024 213 K CA 0.058 56.478 56.287 0.221 0.000 1.077 213 K CB 0.001 32.683 32.500 0.303 0.000 0.833 213 K HN 0.315 nan 8.250 nan 0.000 0.517 214 F N 2.978 122.988 119.950 0.100 0.000 2.095 214 F HA -0.150 4.390 4.527 0.022 0.000 0.298 214 F C -0.970 174.848 175.800 0.029 0.000 1.104 214 F CA 1.377 59.459 58.000 0.136 0.000 1.232 214 F CB -0.493 38.576 39.000 0.115 0.000 0.987 214 F HN 0.028 nan 8.300 nan 0.000 0.475 215 P HA -0.144 nan 4.420 nan 0.000 0.217 215 P C 1.006 178.008 177.300 -0.497 0.000 1.150 215 P CA 1.749 64.619 63.100 -0.383 0.000 0.832 215 P CB -0.070 31.423 31.700 -0.346 0.000 0.787 216 D N -1.265 118.991 120.400 -0.239 0.000 2.084 216 D HA -0.155 4.499 4.640 0.023 0.000 0.196 216 D C 1.819 177.859 176.300 -0.434 0.000 0.985 216 D CA 1.056 54.961 54.000 -0.158 0.000 0.826 216 D CB -0.848 40.040 40.800 0.147 0.000 0.978 216 D HN 0.154 nan 8.370 nan 0.000 0.456 217 F N 1.854 121.405 119.950 -0.665 0.000 2.102 217 F HA -0.219 4.321 4.527 0.023 0.000 0.298 217 F C 2.261 177.681 175.800 -0.633 0.000 1.105 217 F CA 1.119 58.521 58.000 -0.997 0.000 1.239 217 F CB -0.195 38.447 39.000 -0.595 0.000 0.991 217 F HN -0.251 nan 8.300 nan 0.000 0.474 218 V N 0.338 119.889 119.914 -0.606 0.000 2.343 218 V HA -0.341 3.792 4.120 0.023 0.000 0.247 218 V C 2.302 178.194 176.094 -0.336 0.000 1.051 218 V CA 2.437 64.397 62.300 -0.567 0.000 1.036 218 V CB -1.085 30.404 31.823 -0.556 0.000 0.654 218 V HN 0.470 nan 8.190 nan 0.000 0.451 219 H N -0.223 118.635 119.070 -0.354 0.000 2.387 219 H HA -0.170 4.399 4.556 0.023 0.000 0.299 219 H C 2.313 177.504 175.328 -0.228 0.000 1.099 219 H CA 1.129 57.043 56.048 -0.223 0.000 1.315 219 H CB 0.042 29.720 29.762 -0.140 0.000 1.380 219 H HN 0.492 nan 8.280 nan 0.000 0.513 220 A N 0.336 123.004 122.820 -0.255 0.000 1.930 220 A HA -0.093 4.241 4.320 0.023 0.000 0.217 220 A C 2.493 179.943 177.584 -0.223 0.000 1.175 220 A CA 1.301 53.186 52.037 -0.253 0.000 0.627 220 A CB -0.580 18.156 19.000 -0.440 0.000 0.815 220 A HN 0.303 nan 8.150 nan 0.000 0.443 221 V N -0.303 119.353 119.914 -0.430 0.000 2.725 221 V HA 0.019 4.153 4.120 0.023 0.000 0.247 221 V C 0.992 177.033 176.094 -0.089 0.000 1.058 221 V CA 0.743 62.831 62.300 -0.354 0.000 1.080 221 V CB -0.422 30.965 31.823 -0.725 0.000 0.713 221 V HN 0.354 nan 8.190 nan 0.000 0.465 222 K N 0.988 121.310 120.400 -0.130 0.000 2.156 222 K HA 0.215 4.548 4.320 0.023 0.000 0.242 222 K C -2.279 174.270 176.600 -0.086 0.000 1.033 222 K CA -1.489 54.740 56.287 -0.097 0.000 0.878 222 K CB -0.369 32.069 32.500 -0.104 0.000 1.057 222 K HN 0.170 nan 8.250 nan 0.000 0.505 223 P HA -0.023 nan 4.420 nan 0.000 0.266 223 P C -0.656 176.578 177.300 -0.110 0.000 1.195 223 P CA 0.439 63.399 63.100 -0.233 0.000 0.768 223 P CB 0.334 31.909 31.700 -0.208 0.000 0.838 224 E N 5.007 125.183 120.200 -0.040 0.000 2.373 224 E HA 0.019 4.382 4.350 0.023 0.000 0.267 224 E C -1.309 175.366 176.600 0.125 0.000 1.032 224 E CA -1.394 55.093 56.400 0.144 0.000 0.889 224 E CB 0.197 30.110 29.700 0.355 0.000 0.984 224 E HN 0.413 nan 8.360 nan 0.000 0.425 225 P HA -0.187 nan 4.420 nan 0.000 0.225 225 P C 0.937 178.311 177.300 0.122 0.000 1.156 225 P CA 1.292 64.434 63.100 0.070 0.000 0.787 225 P CB 0.061 31.773 31.700 0.020 0.000 0.802 226 H N -0.785 118.318 119.070 0.056 0.000 2.333 226 H HA -0.067 4.503 4.556 0.023 0.000 0.302 226 H C 1.429 176.844 175.328 0.145 0.000 1.075 226 H CA 1.402 57.467 56.048 0.029 0.000 1.348 226 H CB -1.361 28.346 29.762 -0.091 0.000 1.393 226 H HN 0.299 nan 8.280 nan 0.000 0.509 227 W N -0.036 120.892 121.300 -0.619 0.000 2.870 227 W HA 0.707 5.380 4.660 0.022 0.000 0.358 227 W C 0.470 176.823 176.519 -0.277 0.000 1.043 227 W CA -1.222 55.893 57.345 -0.382 0.000 1.692 227 W CB -0.756 28.470 29.460 -0.390 0.000 1.100 227 W HN 0.432 nan 8.180 nan 0.000 0.557 228 A N 1.293 124.090 122.820 -0.039 0.000 2.667 228 A HA -0.131 4.202 4.320 0.023 0.000 0.298 228 A C -0.430 176.927 177.584 -0.378 0.000 1.483 228 A CA 1.390 53.327 52.037 -0.167 0.000 0.738 228 A CB -2.402 16.527 19.000 -0.119 0.000 1.067 228 A HN 0.471 nan 8.150 nan 0.000 0.451 229 I N 0.535 120.735 120.570 -0.617 0.000 2.686 229 I HA 0.542 4.726 4.170 0.023 0.000 0.295 229 I C -2.511 173.280 176.117 -0.543 0.000 1.114 229 I CA -2.395 58.437 61.300 -0.781 0.000 1.038 229 I CB 2.980 40.032 38.000 -1.579 0.000 1.238 229 I HN 0.206 nan 8.210 nan 0.000 0.420 230 P HA 0.314 nan 4.420 nan 0.000 0.292 230 P C -1.503 175.627 177.300 -0.284 0.000 1.300 230 P CA -0.855 62.016 63.100 -0.381 0.000 0.900 230 P CB 1.403 32.954 31.700 -0.249 0.000 1.139 231 Q N 0.816 120.497 119.800 -0.200 0.000 2.286 231 Q HA 0.470 4.824 4.340 0.023 0.000 0.257 231 Q C 1.192 177.148 176.000 -0.073 0.000 0.941 231 Q CA 1.195 56.920 55.803 -0.131 0.000 0.912 231 Q CB -0.382 28.293 28.738 -0.106 0.000 1.192 231 Q HN 0.825 nan 8.270 nan 0.000 0.410 232 G N 3.084 111.850 108.800 -0.058 0.000 2.153 232 G HA2 -0.297 3.676 3.960 0.023 0.000 0.252 232 G HA3 -0.297 3.676 3.960 0.023 0.000 0.252 232 G C -0.309 174.597 174.900 0.009 0.000 0.994 232 G CA 0.533 45.624 45.100 -0.015 0.000 0.698 232 G HN 0.546 nan 8.290 nan 0.000 0.521 233 Q N -0.766 119.030 119.800 -0.007 0.000 2.347 233 Q HA 0.579 4.933 4.340 0.023 0.000 0.271 233 Q C 0.916 176.924 176.000 0.013 0.000 1.064 233 Q CA -0.100 55.729 55.803 0.044 0.000 0.800 233 Q CB 1.823 30.633 28.738 0.120 0.000 1.304 233 Q HN 0.409 nan 8.270 nan 0.000 0.438 234 S N -0.312 115.286 115.700 -0.169 0.000 2.593 234 S HA 0.142 4.626 4.470 0.023 0.000 0.217 234 S C 0.972 175.494 174.600 -0.130 0.000 0.966 234 S CA 0.027 57.887 58.200 -0.568 0.000 0.914 234 S CB 0.254 62.564 63.200 -1.483 0.000 0.776 234 S HN 0.599 nan 8.310 nan 0.000 0.523 235 A N 2.301 125.248 122.820 0.212 0.000 3.048 235 A HA 0.493 4.826 4.320 0.023 0.000 0.264 235 A C 0.176 177.982 177.584 0.370 0.000 1.796 235 A CA -0.543 51.694 52.037 0.334 0.000 1.445 235 A CB -1.300 17.827 19.000 0.211 0.000 1.074 235 A HN 0.904 nan 8.150 nan 0.000 0.621 236 H N -3.833 115.415 119.070 0.295 0.000 2.981 236 H HA 0.525 5.095 4.556 0.023 0.000 0.327 236 H C -0.230 175.286 175.328 0.313 0.000 1.342 236 H CA -0.729 55.462 56.048 0.238 0.000 1.123 236 H CB 0.268 30.130 29.762 0.167 0.000 1.851 236 H HN 0.055 nan 8.280 nan 0.000 0.531 237 D N -0.045 120.520 120.400 0.276 0.000 2.117 237 D HA -0.174 4.480 4.640 0.023 0.000 0.197 237 D C 2.073 178.438 176.300 0.109 0.000 0.987 237 D CA 2.918 57.021 54.000 0.171 0.000 0.829 237 D CB -0.296 40.582 40.800 0.130 0.000 0.961 237 D HN 0.769 nan 8.370 nan 0.000 0.460 238 T N -1.549 113.067 114.554 0.103 0.000 2.867 238 T HA -0.186 4.178 4.350 0.023 0.000 0.268 238 T C 1.878 176.536 174.700 -0.069 0.000 1.057 238 T CA 0.559 62.691 62.100 0.054 0.000 1.136 238 T CB -0.653 68.291 68.868 0.127 0.000 0.874 238 T HN 0.144 nan 8.240 nan 0.000 0.466 239 F N 0.752 120.418 119.950 -0.472 0.000 2.075 239 F HA 0.096 4.636 4.527 0.023 0.000 0.297 239 F C 1.864 177.422 175.800 -0.402 0.000 1.113 239 F CA 0.648 58.288 58.000 -0.600 0.000 1.218 239 F CB -0.605 37.838 39.000 -0.928 0.000 0.984 239 F HN 0.144 nan 8.300 nan 0.000 0.472 240 W N 0.590 121.810 121.300 -0.133 0.000 2.467 240 W HA -0.084 4.590 4.660 0.023 0.000 0.275 240 W C 2.312 178.751 176.519 -0.133 0.000 1.239 240 W CA 1.010 58.267 57.345 -0.147 0.000 1.266 240 W CB -0.598 28.867 29.460 0.009 0.000 1.112 240 W HN 0.063 nan 8.180 nan 0.000 0.576 241 D N -0.569 119.878 120.400 0.077 0.000 2.092 241 D HA -0.298 4.355 4.640 0.023 0.000 0.193 241 D C 1.864 178.173 176.300 0.015 0.000 0.994 241 D CA 1.544 55.573 54.000 0.048 0.000 0.828 241 D CB -0.508 40.330 40.800 0.063 0.000 0.963 241 D HN 0.190 nan 8.370 nan 0.000 0.450 242 Y N 0.392 120.592 120.300 -0.167 0.000 2.114 242 Y HA -0.178 4.386 4.550 0.023 0.000 0.284 242 Y C 2.309 178.080 175.900 -0.214 0.000 1.143 242 Y CA 1.430 59.421 58.100 -0.181 0.000 1.135 242 Y CB -0.489 37.832 38.460 -0.232 0.000 0.980 242 Y HN -0.126 nan 8.280 nan 0.000 0.499 243 V N 0.257 120.067 119.914 -0.174 0.000 2.324 243 V HA -0.371 3.762 4.120 0.023 0.000 0.250 243 V C 2.620 178.663 176.094 -0.086 0.000 1.060 243 V CA 2.355 64.535 62.300 -0.199 0.000 1.042 243 V CB -1.239 30.347 31.823 -0.395 0.000 0.650 243 V HN 0.684 nan 8.190 nan 0.000 0.450 244 S N -0.404 115.283 115.700 -0.022 0.000 2.423 244 S HA -0.041 4.443 4.470 0.023 0.000 0.231 244 S C 1.699 176.271 174.600 -0.046 0.000 1.014 244 S CA 1.282 59.494 58.200 0.021 0.000 0.965 244 S CB -0.413 62.828 63.200 0.068 0.000 0.785 244 S HN 0.566 nan 8.310 nan 0.000 0.495 245 L N 0.014 121.163 121.223 -0.124 0.000 2.585 245 L HA 0.323 4.677 4.340 0.023 0.000 0.226 245 L C 0.600 177.307 176.870 -0.271 0.000 1.113 245 L CA 0.142 54.882 54.840 -0.168 0.000 0.876 245 L CB 0.003 41.962 42.059 -0.166 0.000 1.072 245 L HN 0.252 nan 8.230 nan 0.000 0.468 246 Q N 0.187 119.786 119.800 -0.336 0.000 3.244 246 Q HA 0.227 4.581 4.340 0.023 0.000 0.249 246 Q C -1.937 173.850 176.000 -0.356 0.000 0.951 246 Q CA -1.416 54.145 55.803 -0.402 0.000 0.740 246 Q CB 1.480 29.868 28.738 -0.583 0.000 1.334 246 Q HN -0.006 nan 8.270 nan 0.000 0.448 247 P HA -0.240 nan 4.420 nan 0.000 0.221 247 P C 1.077 178.071 177.300 -0.510 0.000 1.145 247 P CA 1.240 64.092 63.100 -0.414 0.000 0.795 247 P CB 0.231 31.650 31.700 -0.468 0.000 0.775 248 E N 0.609 120.334 120.200 -0.791 0.000 2.219 248 E HA -0.219 4.144 4.350 0.023 0.000 0.198 248 E C 1.531 178.069 176.600 -0.103 0.000 0.998 248 E CA 2.001 58.195 56.400 -0.344 0.000 0.818 248 E CB -1.417 28.155 29.700 -0.213 0.000 0.741 248 E HN 0.311 nan 8.360 nan 0.000 0.477 249 T N -0.458 114.044 114.554 -0.086 0.000 3.007 249 T HA -0.027 4.337 4.350 0.023 0.000 0.270 249 T C 1.963 176.725 174.700 0.104 0.000 1.107 249 T CA 0.694 62.816 62.100 0.037 0.000 1.118 249 T CB -0.376 68.549 68.868 0.094 0.000 0.889 249 T HN 0.172 nan 8.240 nan 0.000 0.506 250 L N -0.009 121.278 121.223 0.107 0.000 2.131 250 L HA -0.071 4.283 4.340 0.023 0.000 0.210 250 L C 2.826 179.867 176.870 0.286 0.000 1.092 250 L CA 1.740 56.718 54.840 0.231 0.000 0.759 250 L CB -0.809 41.400 42.059 0.250 0.000 0.903 250 L HN 0.479 nan 8.230 nan 0.000 0.435 251 H N 0.117 119.238 119.070 0.084 0.000 2.270 251 H HA -0.206 4.364 4.556 0.023 0.000 0.299 251 H C 2.183 177.526 175.328 0.026 0.000 1.077 251 H CA 1.844 57.941 56.048 0.083 0.000 1.294 251 H CB 0.190 29.962 29.762 0.017 0.000 1.371 251 H HN 0.353 nan 8.280 nan 0.000 0.491 252 N N -0.094 118.440 118.700 -0.275 0.000 2.223 252 N HA -0.134 4.619 4.740 0.023 0.000 0.185 252 N C 1.968 177.316 175.510 -0.271 0.000 1.016 252 N CA 0.818 53.491 53.050 -0.628 0.000 0.863 252 N CB 0.238 37.896 38.487 -1.383 0.000 0.983 252 N HN 0.130 nan 8.380 nan 0.000 0.429 253 V N 1.684 121.653 119.914 0.091 0.000 2.332 253 V HA -0.258 3.875 4.120 0.023 0.000 0.248 253 V C 2.494 178.729 176.094 0.235 0.000 1.055 253 V CA 1.260 63.758 62.300 0.331 0.000 1.038 253 V CB -0.361 31.708 31.823 0.410 0.000 0.651 253 V HN 0.402 nan 8.190 nan 0.000 0.450 254 M N -1.634 118.140 119.600 0.289 0.000 2.080 254 M HA -0.217 4.277 4.480 0.023 0.000 0.260 254 M C 2.086 178.414 176.300 0.047 0.000 1.068 254 M CA 1.929 57.408 55.300 0.300 0.000 1.109 254 M CB -1.227 31.590 32.600 0.362 0.000 1.342 254 M HN 0.469 nan 8.290 nan 0.000 0.405 255 W N 0.506 121.564 121.300 -0.403 0.000 2.338 255 W HA -0.116 4.558 4.660 0.023 0.000 0.304 255 W C 2.806 179.261 176.519 -0.107 0.000 1.212 255 W CA 1.909 58.976 57.345 -0.463 0.000 1.264 255 W CB -0.983 28.117 29.460 -0.601 0.000 1.142 255 W HN 0.295 nan 8.180 nan 0.000 0.512 256 A N -0.670 122.239 122.820 0.149 0.000 1.933 256 A HA -0.184 4.149 4.320 0.023 0.000 0.218 256 A C 1.935 179.580 177.584 0.102 0.000 1.175 256 A CA 1.713 53.845 52.037 0.157 0.000 0.628 256 A CB -0.599 18.535 19.000 0.223 0.000 0.814 256 A HN 0.105 nan 8.150 nan 0.000 0.444 257 M N 0.739 120.353 119.600 0.024 0.000 2.419 257 M HA 0.011 4.505 4.480 0.023 0.000 0.264 257 M C 1.463 177.806 176.300 0.072 0.000 1.082 257 M CA 0.815 56.064 55.300 -0.085 0.000 1.119 257 M CB -1.433 30.849 32.600 -0.529 0.000 1.398 257 M HN 0.543 nan 8.290 nan 0.000 0.453 258 S N 0.395 116.201 115.700 0.177 0.000 2.617 258 S HA 0.074 4.558 4.470 0.023 0.000 0.259 258 S C 0.751 175.486 174.600 0.226 0.000 1.301 258 S CA -0.457 57.886 58.200 0.238 0.000 0.984 258 S CB 0.937 64.328 63.200 0.318 0.000 0.954 258 S HN 0.195 nan 8.310 nan 0.000 0.572 259 D N 0.430 120.982 120.400 0.254 0.000 2.351 259 D HA -0.038 4.616 4.640 0.023 0.000 0.216 259 D C 1.913 178.366 176.300 0.254 0.000 0.968 259 D CA 0.456 54.627 54.000 0.285 0.000 0.899 259 D CB -0.194 40.845 40.800 0.397 0.000 0.907 259 D HN 0.388 nan 8.370 nan 0.000 0.514 260 R N 0.319 120.963 120.500 0.240 0.000 2.117 260 R HA -0.103 4.250 4.340 0.023 0.000 0.243 260 R C 2.143 178.607 176.300 0.272 0.000 1.143 260 R CA 1.185 57.453 56.100 0.280 0.000 0.968 260 R CB -1.091 29.441 30.300 0.387 0.000 0.863 260 R HN 0.235 nan 8.270 nan 0.000 0.444 261 G N 1.170 110.118 108.800 0.247 0.000 2.679 261 G HA2 -0.031 3.943 3.960 0.023 0.000 0.212 261 G HA3 -0.031 3.943 3.960 0.023 0.000 0.212 261 G C 1.023 176.071 174.900 0.248 0.000 1.137 261 G CA 0.229 45.467 45.100 0.230 0.000 0.787 261 G HN 0.448 nan 8.290 nan 0.000 0.534 262 I N -2.291 118.434 120.570 0.259 0.000 2.926 262 I HA 0.353 4.537 4.170 0.023 0.000 0.295 262 I C -2.902 173.376 176.117 0.267 0.000 1.463 262 I CA -2.567 58.895 61.300 0.269 0.000 0.892 262 I CB 1.777 39.940 38.000 0.271 0.000 1.874 262 I HN -0.264 nan 8.210 nan 0.000 0.620 263 P HA 0.107 nan 4.420 nan 0.000 0.272 263 P C 0.589 178.015 177.300 0.210 0.000 1.223 263 P CA -0.183 63.022 63.100 0.175 0.000 0.784 263 P CB 1.257 32.996 31.700 0.066 0.000 0.923 264 R N 2.108 122.720 120.500 0.187 0.000 2.092 264 R HA -0.028 4.325 4.340 0.023 0.000 0.231 264 R C 0.438 176.847 176.300 0.182 0.000 1.119 264 R CA 1.827 58.084 56.100 0.261 0.000 0.970 264 R CB -0.476 29.949 30.300 0.209 0.000 0.864 264 R HN 0.675 nan 8.270 nan 0.000 0.440 265 S N -3.548 112.068 115.700 -0.141 0.000 2.615 265 S HA 0.179 4.663 4.470 0.023 0.000 0.268 265 S C -0.033 174.250 174.600 -0.529 0.000 1.146 265 S CA -0.756 57.141 58.200 -0.506 0.000 0.818 265 S CB -0.220 62.823 63.200 -0.261 0.000 1.111 265 S HN 0.034 nan 8.310 nan 0.000 0.465 266 Y N 1.288 121.211 120.300 -0.630 0.000 2.333 266 Y HA 0.059 4.622 4.550 0.023 0.000 0.290 266 Y C 2.558 178.132 175.900 -0.543 0.000 1.144 266 Y CA 1.358 58.961 58.100 -0.829 0.000 1.228 266 Y CB -0.587 36.961 38.460 -1.519 0.000 0.985 266 Y HN 0.600 nan 8.280 nan 0.000 0.542 267 R N -0.468 119.909 120.500 -0.204 0.000 2.241 267 R HA -0.072 4.282 4.340 0.023 0.000 0.224 267 R C 1.087 177.342 176.300 -0.075 0.000 1.101 267 R CA 1.560 57.585 56.100 -0.124 0.000 0.995 267 R CB -0.534 29.684 30.300 -0.136 0.000 0.870 267 R HN 0.364 nan 8.270 nan 0.000 0.463 268 T N -1.983 112.547 114.554 -0.040 0.000 3.308 268 T HA 0.354 4.718 4.350 0.023 0.000 0.270 268 T C 0.196 174.940 174.700 0.073 0.000 0.992 268 T CA -0.683 61.423 62.100 0.010 0.000 0.931 268 T CB -0.074 68.784 68.868 -0.017 0.000 1.142 268 T HN 0.080 nan 8.240 nan 0.000 0.525 269 M N -1.201 118.488 119.600 0.148 0.000 2.619 269 M HA 0.740 5.234 4.480 0.023 0.000 0.297 269 M C -1.115 175.373 176.300 0.313 0.000 1.229 269 M CA -0.924 54.504 55.300 0.214 0.000 0.860 269 M CB 2.110 34.833 32.600 0.206 0.000 1.741 269 M HN -0.152 nan 8.290 nan 0.000 0.462 270 E N 0.266 120.646 120.200 0.300 0.000 2.312 270 E HA 0.673 5.036 4.350 0.023 0.000 0.259 270 E C -0.349 176.329 176.600 0.129 0.000 1.122 270 E CA -0.608 55.901 56.400 0.182 0.000 0.922 270 E CB 1.733 31.482 29.700 0.083 0.000 1.109 270 E HN 0.859 nan 8.360 nan 0.000 0.442 271 G N 0.678 109.345 108.800 -0.221 0.000 2.524 271 G HA2 0.635 4.608 3.960 0.023 0.000 0.310 271 G HA3 0.635 4.608 3.960 0.023 0.000 0.310 271 G C -1.481 172.974 174.900 -0.743 0.000 1.279 271 G CA -0.458 44.500 45.100 -0.236 0.000 0.974 271 G HN 0.289 nan 8.290 nan 0.000 0.484 272 F N -0.306 119.577 119.950 -0.113 0.000 2.608 272 F HA 0.488 5.029 4.527 0.023 0.000 0.309 272 F C 1.086 176.786 175.800 -0.167 0.000 1.103 272 F CA -0.558 57.302 58.000 -0.233 0.000 0.954 272 F CB 2.510 41.320 39.000 -0.316 0.000 1.267 272 F HN 0.609 nan 8.300 nan 0.000 0.444 273 G N 0.936 109.787 108.800 0.084 0.000 2.650 273 G HA2 0.095 4.068 3.960 0.023 0.000 0.214 273 G HA3 0.095 4.068 3.960 0.023 0.000 0.214 273 G C 1.232 176.177 174.900 0.075 0.000 1.136 273 G CA 0.886 46.085 45.100 0.164 0.000 0.789 273 G HN 0.803 nan 8.290 nan 0.000 0.536 274 I N -0.967 119.577 120.570 -0.043 0.000 4.608 274 I HA -0.341 3.843 4.170 0.023 0.000 0.051 274 I C 0.569 176.561 176.117 -0.209 0.000 0.619 274 I CA 1.662 62.818 61.300 -0.240 0.000 0.844 274 I CB -1.276 36.483 38.000 -0.400 0.000 0.772 274 I HN 0.276 nan 8.210 nan 0.000 0.161 275 H N 2.444 121.533 119.070 0.032 0.000 2.790 275 H HA 0.197 4.767 4.556 0.023 0.000 0.358 275 H C 0.155 175.435 175.328 -0.079 0.000 1.103 275 H CA 0.568 56.544 56.048 -0.120 0.000 1.426 275 H CB 0.190 29.702 29.762 -0.416 0.000 1.424 275 H HN 0.224 nan 8.280 nan 0.000 0.599 276 T N 4.198 118.727 114.554 -0.042 0.000 2.814 276 T HA 0.212 4.576 4.350 0.023 0.000 0.297 276 T C 0.340 174.974 174.700 -0.111 0.000 0.956 276 T CA 0.090 62.152 62.100 -0.064 0.000 1.123 276 T CB -0.163 68.611 68.868 -0.156 0.000 0.902 276 T HN 0.251 nan 8.240 nan 0.000 0.528 277 F N 1.225 121.125 119.950 -0.083 0.000 2.611 277 F HA 0.639 5.179 4.527 0.022 0.000 0.374 277 F C 1.051 176.809 175.800 -0.070 0.000 1.110 277 F CA -1.381 56.600 58.000 -0.031 0.000 1.090 277 F CB 1.361 40.334 39.000 -0.046 0.000 1.388 277 F HN 0.190 nan 8.300 nan 0.000 0.501 278 R N 0.625 121.187 120.500 0.103 0.000 2.637 278 R HA 0.648 5.001 4.340 0.023 0.000 0.291 278 R C -1.558 174.634 176.300 -0.180 0.000 0.963 278 R CA -0.839 55.190 56.100 -0.118 0.000 0.901 278 R CB 1.755 31.917 30.300 -0.230 0.000 1.160 278 R HN 0.425 nan 8.270 nan 0.000 0.457 279 L N 3.508 124.579 121.223 -0.254 0.000 2.322 279 L HA 0.537 4.891 4.340 0.023 0.000 0.279 279 L C -0.377 176.343 176.870 -0.249 0.000 1.036 279 L CA -0.873 53.825 54.840 -0.237 0.000 0.807 279 L CB 1.211 43.136 42.059 -0.223 0.000 1.226 279 L HN 0.357 nan 8.230 nan 0.000 0.433 280 I N 2.662 123.108 120.570 -0.206 0.000 2.447 280 I HA 0.277 4.461 4.170 0.023 0.000 0.287 280 I C -0.361 175.674 176.117 -0.137 0.000 1.023 280 I CA -0.645 60.537 61.300 -0.196 0.000 1.083 280 I CB 1.487 39.377 38.000 -0.183 0.000 1.245 280 I HN 0.655 nan 8.210 nan 0.000 0.434 281 N N 4.895 123.527 118.700 -0.114 0.000 2.448 281 N HA 0.372 5.126 4.740 0.023 0.000 0.274 281 N C 0.855 176.327 175.510 -0.063 0.000 1.239 281 N CA -0.381 52.622 53.050 -0.079 0.000 0.982 281 N CB 0.618 39.066 38.487 -0.064 0.000 1.199 281 N HN 0.528 nan 8.380 nan 0.000 0.576 282 A N -0.436 122.355 122.820 -0.047 0.000 2.019 282 A HA -0.148 4.186 4.320 0.023 0.000 0.219 282 A C 1.336 178.901 177.584 -0.032 0.000 1.164 282 A CA 1.432 53.446 52.037 -0.038 0.000 0.644 282 A CB -0.790 18.194 19.000 -0.027 0.000 0.805 282 A HN 0.796 nan 8.150 nan 0.000 0.449 283 E N -1.295 118.887 120.200 -0.030 0.000 2.502 283 E HA 0.333 4.697 4.350 0.023 0.000 0.194 283 E C 1.147 177.738 176.600 -0.016 0.000 1.062 283 E CA 0.610 56.997 56.400 -0.021 0.000 0.867 283 E CB -0.126 29.563 29.700 -0.019 0.000 0.888 283 E HN 0.712 nan 8.360 nan 0.000 0.510 284 G N 1.445 110.233 108.800 -0.021 0.000 2.157 284 G HA2 -0.375 3.598 3.960 0.023 0.000 0.248 284 G HA3 -0.375 3.598 3.960 0.023 0.000 0.248 284 G C 0.224 175.143 174.900 0.032 0.000 0.979 284 G CA 0.244 45.350 45.100 0.010 0.000 0.650 284 G HN 0.276 nan 8.290 nan 0.000 0.529 285 K N 0.818 121.199 120.400 -0.031 0.000 2.339 285 K HA 0.641 4.974 4.320 0.023 0.000 0.286 285 K C 0.612 177.081 176.600 -0.218 0.000 1.050 285 K CA 0.183 56.422 56.287 -0.078 0.000 0.956 285 K CB 0.493 32.949 32.500 -0.073 0.000 0.990 285 K HN 0.562 nan 8.250 nan 0.000 0.475 286 A N 3.733 126.311 122.820 -0.403 0.000 2.289 286 A HA 0.347 4.681 4.320 0.023 0.000 0.298 286 A C -0.653 176.611 177.584 -0.535 0.000 1.208 286 A CA -0.436 51.199 52.037 -0.670 0.000 0.845 286 A CB 0.881 19.049 19.000 -1.387 0.000 1.125 286 A HN 0.726 nan 8.150 nan 0.000 0.517 287 T N 2.777 117.066 114.554 -0.441 0.000 2.807 287 T HA 0.525 4.889 4.350 0.023 0.000 0.279 287 T C -0.538 173.953 174.700 -0.347 0.000 0.993 287 T CA -0.080 61.814 62.100 -0.344 0.000 0.970 287 T CB 0.380 69.137 68.868 -0.185 0.000 0.950 287 T HN 0.339 nan 8.240 nan 0.000 0.441 288 F N 2.221 122.078 119.950 -0.154 0.000 2.484 288 F HA 0.475 5.015 4.527 0.023 0.000 0.360 288 F C 0.554 176.240 175.800 -0.191 0.000 1.101 288 F CA -0.455 57.449 58.000 -0.160 0.000 1.251 288 F CB 0.582 39.508 39.000 -0.123 0.000 1.132 288 F HN 0.167 nan 8.300 nan 0.000 0.570 289 V N 5.271 125.150 119.914 -0.060 0.000 2.686 289 V HA 0.568 4.701 4.120 0.023 0.000 0.306 289 V C -0.872 174.988 176.094 -0.390 0.000 1.065 289 V CA -0.742 61.365 62.300 -0.322 0.000 0.894 289 V CB 1.861 33.271 31.823 -0.687 0.000 1.004 289 V HN 0.761 nan 8.190 nan 0.000 0.424 290 R N 5.051 125.378 120.500 -0.288 0.000 2.514 290 R HA 0.553 4.906 4.340 0.023 0.000 0.301 290 R C -1.503 174.678 176.300 -0.197 0.000 0.962 290 R CA -0.480 55.472 56.100 -0.246 0.000 0.882 290 R CB 1.929 32.218 30.300 -0.019 0.000 1.143 290 R HN 0.592 nan 8.270 nan 0.000 0.452 291 F N 2.246 122.219 119.950 0.038 0.000 2.396 291 F HA 0.319 4.860 4.527 0.023 0.000 0.343 291 F C 1.013 176.734 175.800 -0.131 0.000 1.104 291 F CA -0.031 57.953 58.000 -0.026 0.000 1.161 291 F CB 0.760 39.632 39.000 -0.212 0.000 1.146 291 F HN 0.201 nan 8.300 nan 0.000 0.522 292 H N 1.142 120.202 119.070 -0.016 0.000 2.690 292 H HA 0.260 4.830 4.556 0.023 0.000 0.368 292 H C -1.485 173.603 175.328 -0.400 0.000 1.150 292 H CA -0.972 54.955 56.048 -0.203 0.000 1.174 292 H CB 1.907 31.643 29.762 -0.042 0.000 1.684 292 H HN 0.669 nan 8.280 nan 0.000 0.538 293 W N 2.164 123.315 121.300 -0.248 0.000 2.587 293 W HA 0.328 5.002 4.660 0.023 0.000 0.324 293 W C -0.073 176.446 176.519 -0.001 0.000 1.040 293 W CA -0.787 56.478 57.345 -0.134 0.000 1.222 293 W CB 1.754 30.960 29.460 -0.422 0.000 1.381 293 W HN 0.295 nan 8.180 nan 0.000 0.483 294 K N 5.555 126.205 120.400 0.417 0.000 2.213 294 K HA 0.381 4.715 4.320 0.023 0.000 0.270 294 K C -2.367 174.464 176.600 0.385 0.000 1.002 294 K CA -1.914 54.566 56.287 0.322 0.000 0.868 294 K CB 1.370 34.013 32.500 0.238 0.000 1.093 294 K HN 0.048 nan 8.250 nan 0.000 0.454 295 P HA 0.024 nan 4.420 nan 0.000 0.276 295 P C 0.391 177.702 177.300 0.018 0.000 1.264 295 P CA 0.008 63.183 63.100 0.125 0.000 0.769 295 P CB 0.732 32.515 31.700 0.138 0.000 0.840 296 L N 2.923 124.102 121.223 -0.073 0.000 2.362 296 L HA -0.110 4.243 4.340 0.023 0.000 0.219 296 L C 2.301 179.155 176.870 -0.026 0.000 1.134 296 L CA 1.210 56.041 54.840 -0.014 0.000 0.807 296 L CB -0.584 41.475 42.059 0.001 0.000 0.927 296 L HN 0.344 nan 8.230 nan 0.000 0.447 297 A N -0.083 122.693 122.820 -0.073 0.000 2.206 297 A HA 0.362 4.696 4.320 0.023 0.000 0.211 297 A C 1.252 178.836 177.584 -0.000 0.000 1.158 297 A CA 0.793 52.805 52.037 -0.043 0.000 0.761 297 A CB -0.375 18.581 19.000 -0.074 0.000 0.801 297 A HN 0.465 nan 8.150 nan 0.000 0.473 298 G N -0.841 107.973 108.800 0.023 0.000 2.663 298 G HA2 -0.092 3.881 3.960 0.023 0.000 0.686 298 G HA3 -0.092 3.881 3.960 0.023 0.000 0.686 298 G C -0.707 174.226 174.900 0.055 0.000 1.288 298 G CA -0.467 44.666 45.100 0.055 0.000 0.836 298 G HN 0.448 nan 8.290 nan 0.000 0.584 299 K N 0.098 120.537 120.400 0.066 0.000 2.172 299 K HA 0.728 5.061 4.320 0.023 0.000 0.276 299 K C 0.244 176.848 176.600 0.007 0.000 1.013 299 K CA 0.216 56.528 56.287 0.042 0.000 0.913 299 K CB 1.758 34.271 32.500 0.021 0.000 1.055 299 K HN 1.518 nan 8.250 nan 0.000 0.461 300 A N 1.616 124.427 122.820 -0.015 0.000 2.577 300 A HA 0.564 4.897 4.320 0.023 0.000 0.297 300 A C -1.182 176.450 177.584 0.080 0.000 1.060 300 A CA -0.699 51.288 52.037 -0.083 0.000 0.697 300 A CB 1.727 20.457 19.000 -0.450 0.000 1.281 300 A HN 0.503 nan 8.150 nan 0.000 0.402 301 S N 0.517 116.419 115.700 0.336 0.000 2.599 301 S HA 0.748 5.231 4.470 0.023 0.000 0.294 301 S C 0.025 174.948 174.600 0.539 0.000 1.094 301 S CA -0.620 57.824 58.200 0.407 0.000 0.931 301 S CB 1.182 64.615 63.200 0.389 0.000 1.093 301 S HN 0.652 nan 8.310 nan 0.000 0.488 302 L N 1.342 122.779 121.223 0.356 0.000 2.464 302 L HA 0.496 4.850 4.340 0.023 0.000 0.224 302 L C 0.144 177.149 176.870 0.225 0.000 1.219 302 L CA -0.701 54.280 54.840 0.235 0.000 0.831 302 L CB -0.004 42.109 42.059 0.091 0.000 1.284 302 L HN 0.478 nan 8.230 nan 0.000 0.522 303 V N -3.181 116.761 119.914 0.047 0.000 2.881 303 V HA 0.193 4.327 4.120 0.023 0.000 0.316 303 V C 0.595 176.641 176.094 -0.079 0.000 1.070 303 V CA -0.825 61.467 62.300 -0.013 0.000 0.976 303 V CB 1.637 33.435 31.823 -0.043 0.000 1.038 303 V HN 0.945 nan 8.190 nan 0.000 0.446 304 W N 1.824 122.990 121.300 -0.224 0.000 2.335 304 W HA -0.196 4.477 4.660 0.022 0.000 0.311 304 W C 1.699 178.062 176.519 -0.260 0.000 1.213 304 W CA 2.448 59.660 57.345 -0.222 0.000 1.274 304 W CB -0.065 29.250 29.460 -0.242 0.000 1.148 304 W HN 0.994 nan 8.180 nan 0.000 0.498 305 D N 0.304 120.434 120.400 -0.450 0.000 2.144 305 D HA -0.289 4.365 4.640 0.023 0.000 0.199 305 D C 2.171 178.097 176.300 -0.623 0.000 0.984 305 D CA 2.077 55.757 54.000 -0.532 0.000 0.834 305 D CB -0.438 40.292 40.800 -0.117 0.000 0.955 305 D HN 0.372 nan 8.370 nan 0.000 0.465 306 E N -0.318 119.395 120.200 -0.810 0.000 2.047 306 E HA -0.199 4.165 4.350 0.023 0.000 0.191 306 E C 2.021 178.285 176.600 -0.560 0.000 0.987 306 E CA 1.028 56.910 56.400 -0.863 0.000 0.799 306 E CB -0.211 28.896 29.700 -0.988 0.000 0.752 306 E HN 0.303 nan 8.360 nan 0.000 0.449 307 A N 1.220 123.734 122.820 -0.509 0.000 1.883 307 A HA -0.275 4.058 4.320 0.023 0.000 0.217 307 A C 2.197 179.448 177.584 -0.554 0.000 1.186 307 A CA 1.892 53.677 52.037 -0.420 0.000 0.624 307 A CB -0.779 18.085 19.000 -0.227 0.000 0.822 307 A HN 0.458 nan 8.150 nan 0.000 0.444 308 Q N -0.394 118.853 119.800 -0.923 0.000 2.084 308 Q HA -0.188 4.166 4.340 0.023 0.000 0.202 308 Q C 1.999 177.713 176.000 -0.477 0.000 0.978 308 Q CA 1.819 57.102 55.803 -0.867 0.000 0.844 308 Q CB -0.109 27.849 28.738 -1.300 0.000 0.898 308 Q HN 0.683 nan 8.270 nan 0.000 0.426 309 K N -0.073 120.067 120.400 -0.432 0.000 2.097 309 K HA -0.134 4.200 4.320 0.023 0.000 0.205 309 K C 1.992 178.442 176.600 -0.249 0.000 1.050 309 K CA 0.707 56.833 56.287 -0.269 0.000 0.938 309 K CB -0.064 32.319 32.500 -0.195 0.000 0.718 309 K HN 0.159 nan 8.250 nan 0.000 0.442 310 L N 1.574 122.607 121.223 -0.318 0.000 2.131 310 L HA -0.145 4.209 4.340 0.023 0.000 0.210 310 L C 2.376 179.104 176.870 -0.237 0.000 1.092 310 L CA 1.987 56.635 54.840 -0.320 0.000 0.759 310 L CB -1.144 40.638 42.059 -0.461 0.000 0.903 310 L HN 0.335 nan 8.230 nan 0.000 0.435 311 T N -4.464 109.956 114.554 -0.224 0.000 2.849 311 T HA -0.095 4.269 4.350 0.023 0.000 0.270 311 T C 1.858 176.490 174.700 -0.114 0.000 1.066 311 T CA 1.069 63.081 62.100 -0.147 0.000 1.130 311 T CB -0.847 67.946 68.868 -0.124 0.000 0.864 311 T HN 0.361 nan 8.240 nan 0.000 0.481 312 G N 0.935 109.660 108.800 -0.126 0.000 2.441 312 G HA2 0.015 3.989 3.960 0.023 0.000 0.212 312 G HA3 0.015 3.989 3.960 0.023 0.000 0.212 312 G C 1.922 176.772 174.900 -0.083 0.000 1.164 312 G CA -0.251 44.794 45.100 -0.093 0.000 0.811 312 G HN 0.301 nan 8.290 nan 0.000 0.535 313 R N 0.149 120.587 120.500 -0.102 0.000 2.127 313 R HA 0.081 4.434 4.340 0.023 0.000 0.217 313 R C -0.179 176.084 176.300 -0.061 0.000 1.074 313 R CA 0.651 56.703 56.100 -0.080 0.000 0.991 313 R CB -0.126 30.116 30.300 -0.095 0.000 0.895 313 R HN 0.328 nan 8.270 nan 0.000 0.450 314 D N -0.101 120.254 120.400 -0.076 0.000 2.381 314 D HA 0.159 4.812 4.640 0.023 0.000 0.245 314 D C -2.074 174.218 176.300 -0.012 0.000 1.297 314 D CA -1.898 52.092 54.000 -0.016 0.000 0.931 314 D CB 1.383 42.215 40.800 0.053 0.000 1.334 314 D HN -0.139 nan 8.370 nan 0.000 0.535 315 P HA -0.012 nan 4.420 nan 0.000 0.228 315 P C 0.031 177.332 177.300 0.002 0.000 1.151 315 P CA 0.692 63.777 63.100 -0.026 0.000 0.770 315 P CB 0.460 32.143 31.700 -0.029 0.000 0.786 316 D N -1.385 119.028 120.400 0.022 0.000 2.427 316 D HA 0.066 4.720 4.640 0.023 0.000 0.224 316 D C 1.238 177.576 176.300 0.063 0.000 1.157 316 D CA -0.427 53.593 54.000 0.034 0.000 0.828 316 D CB -0.575 40.225 40.800 -0.001 0.000 0.974 316 D HN 0.143 nan 8.370 nan 0.000 0.498 317 F N 1.296 121.182 119.950 -0.106 0.000 2.126 317 F HA -0.250 4.290 4.527 0.023 0.000 0.299 317 F C 2.063 177.831 175.800 -0.054 0.000 1.096 317 F CA 1.853 59.786 58.000 -0.112 0.000 1.255 317 F CB 0.087 38.967 39.000 -0.199 0.000 0.997 317 F HN 0.105 nan 8.300 nan 0.000 0.479 318 H N -1.281 117.682 119.070 -0.179 0.000 2.395 318 H HA -0.066 4.503 4.556 0.023 0.000 0.299 318 H C 2.368 177.579 175.328 -0.195 0.000 1.070 318 H CA 0.835 56.626 56.048 -0.428 0.000 1.356 318 H CB -0.097 29.212 29.762 -0.755 0.000 1.401 318 H HN 0.166 nan 8.280 nan 0.000 0.524 319 R N 1.277 121.871 120.500 0.156 0.000 2.073 319 R HA -0.141 4.212 4.340 0.023 0.000 0.234 319 R C 2.458 178.863 176.300 0.174 0.000 1.134 319 R CA 1.446 57.693 56.100 0.244 0.000 0.952 319 R CB -0.041 30.382 30.300 0.205 0.000 0.850 319 R HN 0.189 nan 8.270 nan 0.000 0.433 320 R N 0.317 120.846 120.500 0.049 0.000 2.073 320 R HA -0.147 4.207 4.340 0.023 0.000 0.234 320 R C 2.151 178.457 176.300 0.009 0.000 1.134 320 R CA 1.696 57.809 56.100 0.022 0.000 0.952 320 R CB -0.235 30.049 30.300 -0.027 0.000 0.850 320 R HN 0.278 nan 8.270 nan 0.000 0.433 321 E N 0.657 120.757 120.200 -0.166 0.000 2.077 321 E HA -0.207 4.156 4.350 0.023 0.000 0.193 321 E C 2.026 178.603 176.600 -0.038 0.000 0.989 321 E CA 1.167 57.441 56.400 -0.211 0.000 0.800 321 E CB -0.107 29.300 29.700 -0.487 0.000 0.746 321 E HN 0.251 nan 8.360 nan 0.000 0.452 322 L N 0.941 122.184 121.223 0.034 0.000 1.989 322 L HA -0.181 4.172 4.340 0.023 0.000 0.211 322 L C 2.233 179.215 176.870 0.186 0.000 1.071 322 L CA 1.961 56.874 54.840 0.122 0.000 0.749 322 L CB -0.990 41.209 42.059 0.233 0.000 0.890 322 L HN 0.330 nan 8.230 nan 0.000 0.431 323 W N 0.908 122.250 121.300 0.069 0.000 2.355 323 W HA -0.206 4.467 4.660 0.023 0.000 0.309 323 W C 2.234 178.790 176.519 0.062 0.000 1.206 323 W CA 2.181 59.579 57.345 0.088 0.000 1.284 323 W CB -0.152 29.363 29.460 0.092 0.000 1.145 323 W HN 0.371 nan 8.180 nan 0.000 0.502 324 E N 0.002 120.387 120.200 0.309 0.000 2.152 324 E HA -0.122 4.241 4.350 0.023 0.000 0.192 324 E C 2.355 178.993 176.600 0.064 0.000 0.983 324 E CA 0.989 57.490 56.400 0.169 0.000 0.818 324 E CB -0.339 29.415 29.700 0.090 0.000 0.758 324 E HN 0.184 nan 8.360 nan 0.000 0.467 325 A N 1.532 124.389 122.820 0.061 0.000 1.858 325 A HA -0.192 4.142 4.320 0.023 0.000 0.216 325 A C 2.193 179.811 177.584 0.056 0.000 1.190 325 A CA 1.161 53.227 52.037 0.049 0.000 0.617 325 A CB -0.638 18.391 19.000 0.048 0.000 0.827 325 A HN 0.124 nan 8.150 nan 0.000 0.443 326 I N -0.258 120.368 120.570 0.092 0.000 2.163 326 I HA -0.278 3.906 4.170 0.023 0.000 0.243 326 I C 2.463 178.651 176.117 0.117 0.000 1.085 326 I CA 1.670 63.073 61.300 0.172 0.000 1.347 326 I CB -0.531 37.509 38.000 0.066 0.000 1.044 326 I HN 0.431 nan 8.210 nan 0.000 0.408 327 E N 0.820 121.035 120.200 0.024 0.000 2.209 327 E HA -0.223 4.141 4.350 0.023 0.000 0.196 327 E C 2.154 178.767 176.600 0.022 0.000 0.993 327 E CA 1.315 57.740 56.400 0.042 0.000 0.819 327 E CB -0.160 29.596 29.700 0.094 0.000 0.745 327 E HN 0.552 nan 8.360 nan 0.000 0.477 328 A N 0.088 122.900 122.820 -0.012 0.000 2.169 328 A HA 0.211 4.544 4.320 0.023 0.000 0.212 328 A C 1.884 179.402 177.584 -0.110 0.000 1.153 328 A CA 0.994 53.007 52.037 -0.039 0.000 0.756 328 A CB -0.116 18.863 19.000 -0.035 0.000 0.813 328 A HN 0.345 nan 8.150 nan 0.000 0.471 329 G N -0.347 108.293 108.800 -0.266 0.000 2.176 329 G HA2 -0.217 3.757 3.960 0.023 0.000 0.253 329 G HA3 -0.217 3.757 3.960 0.023 0.000 0.253 329 G C -0.160 174.283 174.900 -0.761 0.000 0.979 329 G CA 0.265 44.915 45.100 -0.749 0.000 0.641 329 G HN 0.487 nan 8.290 nan 0.000 0.530 330 D N 1.112 121.322 120.400 -0.316 0.000 2.801 330 D HA 0.242 4.895 4.640 0.023 0.000 0.232 330 D C 0.714 176.973 176.300 -0.068 0.000 1.128 330 D CA -0.078 53.823 54.000 -0.165 0.000 1.003 330 D CB -0.773 40.018 40.800 -0.014 0.000 1.110 330 D HN 0.440 nan 8.370 nan 0.000 0.477 331 F N 1.636 121.591 119.950 0.008 0.000 2.590 331 F HA 0.057 4.598 4.527 0.023 0.000 0.389 331 F C -1.323 174.452 175.800 -0.041 0.000 1.049 331 F CA -1.930 56.068 58.000 -0.004 0.000 1.199 331 F CB -0.039 38.971 39.000 0.016 0.000 1.058 331 F HN -0.086 nan 8.300 nan 0.000 0.556 332 P HA -0.006 nan 4.420 nan 0.000 0.261 332 P C -1.046 176.200 177.300 -0.090 0.000 1.183 332 P CA 0.424 63.508 63.100 -0.026 0.000 0.761 332 P CB 0.426 32.187 31.700 0.103 0.000 0.785 333 E N 2.353 122.371 120.200 -0.302 0.000 2.238 333 E HA 0.491 4.854 4.350 0.023 0.000 0.267 333 E C -1.013 175.331 176.600 -0.425 0.000 0.887 333 E CA -0.579 55.702 56.400 -0.199 0.000 0.769 333 E CB 1.520 31.190 29.700 -0.050 0.000 1.187 333 E HN 0.380 nan 8.360 nan 0.000 0.416 334 Y N 0.254 120.624 120.300 0.117 0.000 2.477 334 Y HA 0.244 4.808 4.550 0.023 0.000 0.347 334 Y C -0.251 175.870 175.900 0.368 0.000 0.981 334 Y CA -0.995 57.245 58.100 0.233 0.000 1.033 334 Y CB 2.050 40.621 38.460 0.185 0.000 1.245 334 Y HN 0.481 nan 8.280 nan 0.000 0.455 335 E N 2.888 123.403 120.200 0.526 0.000 2.146 335 E HA 0.352 4.715 4.350 0.023 0.000 0.282 335 E C -1.419 175.460 176.600 0.465 0.000 0.989 335 E CA -0.942 55.732 56.400 0.457 0.000 0.799 335 E CB 0.951 30.855 29.700 0.340 0.000 1.088 335 E HN 0.585 nan 8.360 nan 0.000 0.397 336 L N 4.489 125.923 121.223 0.351 0.000 2.410 336 L HA 0.459 4.813 4.340 0.023 0.000 0.273 336 L C -0.057 176.755 176.870 -0.096 0.000 1.152 336 L CA 0.669 55.434 54.840 -0.125 0.000 0.855 336 L CB 0.949 42.875 42.059 -0.221 0.000 1.129 336 L HN 0.582 nan 8.230 nan 0.000 0.463 337 G N 4.602 113.364 108.800 -0.064 0.000 2.620 337 G HA2 0.537 4.511 3.960 0.023 0.000 0.301 337 G HA3 0.537 4.511 3.960 0.023 0.000 0.301 337 G C -1.561 173.480 174.900 0.236 0.000 1.347 337 G CA -0.543 44.551 45.100 -0.012 0.000 0.971 337 G HN 0.458 nan 8.290 nan 0.000 0.488 338 F N 0.486 120.453 119.950 0.029 0.000 2.467 338 F HA 0.366 4.907 4.527 0.023 0.000 0.336 338 F C 0.518 176.310 175.800 -0.012 0.000 1.123 338 F CA -0.961 57.053 58.000 0.024 0.000 0.964 338 F CB 2.351 41.352 39.000 0.001 0.000 1.136 338 F HN 0.133 nan 8.300 nan 0.000 0.447 339 Q N 3.728 123.645 119.800 0.194 0.000 2.294 339 Q HA 0.351 4.704 4.340 0.023 0.000 0.257 339 Q C -1.148 174.895 176.000 0.072 0.000 0.955 339 Q CA -0.707 55.157 55.803 0.101 0.000 0.936 339 Q CB 1.610 30.415 28.738 0.111 0.000 1.188 339 Q HN 0.322 nan 8.270 nan 0.000 0.420 340 L N 4.434 125.708 121.223 0.085 0.000 2.333 340 L HA 0.561 4.915 4.340 0.023 0.000 0.280 340 L C -0.536 176.391 176.870 0.094 0.000 1.004 340 L CA -0.355 54.527 54.840 0.068 0.000 0.820 340 L CB 1.535 43.644 42.059 0.084 0.000 1.247 340 L HN 0.603 nan 8.230 nan 0.000 0.416 341 I N 5.007 125.650 120.570 0.121 0.000 2.499 341 I HA 0.350 4.533 4.170 0.023 0.000 0.288 341 I C -2.240 173.999 176.117 0.203 0.000 1.048 341 I CA -1.908 59.507 61.300 0.191 0.000 1.062 341 I CB 2.582 40.714 38.000 0.220 0.000 1.238 341 I HN 0.338 nan 8.210 nan 0.000 0.426 342 P HA 0.003 nan 4.420 nan 0.000 0.267 342 P C 0.620 177.987 177.300 0.112 0.000 1.200 342 P CA 0.088 63.228 63.100 0.067 0.000 0.772 342 P CB 0.782 32.518 31.700 0.061 0.000 0.855 343 E N 1.636 121.801 120.200 -0.058 0.000 2.130 343 E HA -0.278 4.086 4.350 0.023 0.000 0.196 343 E C 0.891 177.579 176.600 0.147 0.000 0.998 343 E CA 1.500 57.861 56.400 -0.065 0.000 0.806 343 E CB 0.039 29.625 29.700 -0.190 0.000 0.738 343 E HN 0.446 nan 8.360 nan 0.000 0.459 344 E N 0.511 120.772 120.200 0.102 0.000 2.409 344 E HA -0.123 4.241 4.350 0.023 0.000 0.198 344 E C 0.677 177.350 176.600 0.122 0.000 1.024 344 E CA 0.952 57.421 56.400 0.115 0.000 0.861 344 E CB 0.086 29.829 29.700 0.072 0.000 0.788 344 E HN 0.246 nan 8.360 nan 0.000 0.521 345 D N 0.098 120.576 120.400 0.129 0.000 2.342 345 D HA -0.022 4.632 4.640 0.023 0.000 0.221 345 D C 1.227 177.580 176.300 0.087 0.000 1.101 345 D CA 0.070 54.122 54.000 0.087 0.000 0.837 345 D CB 0.050 40.907 40.800 0.096 0.000 0.938 345 D HN 0.304 nan 8.370 nan 0.000 0.508 346 E N -0.093 120.130 120.200 0.038 0.000 2.130 346 E HA -0.198 4.166 4.350 0.023 0.000 0.196 346 E C 0.493 176.812 176.600 -0.469 0.000 0.998 346 E CA 1.102 57.310 56.400 -0.321 0.000 0.806 346 E CB 0.005 29.369 29.700 -0.560 0.000 0.738 346 E HN 0.259 nan 8.360 nan 0.000 0.459 347 F N -0.205 119.764 119.950 0.032 0.000 2.641 347 F HA 0.268 4.809 4.527 0.023 0.000 0.302 347 F C 1.275 177.023 175.800 -0.087 0.000 1.098 347 F CA -0.231 57.762 58.000 -0.012 0.000 1.318 347 F CB 0.589 39.586 39.000 -0.004 0.000 1.035 347 F HN -0.181 nan 8.300 nan 0.000 0.551 348 K N 0.243 120.585 120.400 -0.097 0.000 2.444 348 K HA 0.125 4.459 4.320 0.023 0.000 0.193 348 K C -0.406 175.790 176.600 -0.673 0.000 1.024 348 K CA 0.349 56.405 56.287 -0.384 0.000 1.077 348 K CB 0.082 32.267 32.500 -0.525 0.000 0.833 348 K HN 0.162 nan 8.250 nan 0.000 0.517 349 F N -0.035 119.756 119.950 -0.266 0.000 2.541 349 F HA 0.173 4.714 4.527 0.023 0.000 0.331 349 F C 1.241 176.831 175.800 -0.350 0.000 1.057 349 F CA -1.097 56.628 58.000 -0.457 0.000 0.975 349 F CB 0.937 39.272 39.000 -1.108 0.000 1.246 349 F HN -0.211 nan 8.300 nan 0.000 0.484 350 D N 0.598 120.984 120.400 -0.023 0.000 2.264 350 D HA -0.066 4.587 4.640 0.023 0.000 0.208 350 D C -0.022 176.359 176.300 0.135 0.000 0.966 350 D CA 1.310 55.372 54.000 0.103 0.000 0.864 350 D CB -0.187 40.758 40.800 0.242 0.000 0.933 350 D HN 0.268 nan 8.370 nan 0.000 0.499 351 F N -0.820 119.215 119.950 0.141 0.000 2.575 351 F HA 0.478 5.019 4.527 0.023 0.000 0.330 351 F C 0.069 175.849 175.800 -0.033 0.000 1.056 351 F CA -1.629 56.373 58.000 0.003 0.000 0.964 351 F CB 0.766 39.730 39.000 -0.061 0.000 1.258 351 F HN -0.397 nan 8.300 nan 0.000 0.484 352 D N 1.795 122.203 120.400 0.014 0.000 2.312 352 D HA 0.173 4.827 4.640 0.023 0.000 0.252 352 D C 1.069 177.298 176.300 -0.119 0.000 1.150 352 D CA -0.060 53.892 54.000 -0.079 0.000 0.870 352 D CB 1.382 42.148 40.800 -0.058 0.000 1.153 352 D HN 0.747 nan 8.370 nan 0.000 0.457 353 L N 3.434 124.526 121.223 -0.217 0.000 2.261 353 L HA -0.156 4.198 4.340 0.023 0.000 0.216 353 L C 1.924 178.657 176.870 -0.228 0.000 1.114 353 L CA 0.756 55.435 54.840 -0.269 0.000 0.777 353 L CB -0.120 41.624 42.059 -0.524 0.000 0.910 353 L HN 0.473 nan 8.230 nan 0.000 0.440 354 L N -1.128 119.996 121.223 -0.164 0.000 2.592 354 L HA 0.093 4.447 4.340 0.023 0.000 0.227 354 L C 0.432 177.287 176.870 -0.025 0.000 1.127 354 L CA -0.152 54.671 54.840 -0.028 0.000 0.884 354 L CB -0.148 41.996 42.059 0.142 0.000 1.065 354 L HN 0.082 nan 8.230 nan 0.000 0.457 355 D N 2.073 122.209 120.400 -0.440 0.000 2.380 355 D HA 0.112 4.766 4.640 0.023 0.000 0.230 355 D C -1.580 174.513 176.300 -0.345 0.000 1.154 355 D CA -2.194 51.286 54.000 -0.866 0.000 0.859 355 D CB 1.573 41.567 40.800 -1.343 0.000 1.045 355 D HN -0.045 nan 8.370 nan 0.000 0.495 356 P HA -0.031 nan 4.420 nan 0.000 0.245 356 P C 0.839 178.051 177.300 -0.147 0.000 1.212 356 P CA 0.500 63.541 63.100 -0.097 0.000 0.774 356 P CB -0.011 31.720 31.700 0.052 0.000 0.999 357 T N -4.122 110.335 114.554 -0.162 0.000 3.129 357 T HA 0.140 4.504 4.350 0.023 0.000 0.251 357 T C 0.737 175.339 174.700 -0.163 0.000 1.117 357 T CA -0.014 61.996 62.100 -0.149 0.000 1.034 357 T CB -0.239 68.585 68.868 -0.072 0.000 0.968 357 T HN -0.129 nan 8.240 nan 0.000 0.526 358 K N 1.990 122.202 120.400 -0.314 0.000 2.270 358 K HA 0.565 4.899 4.320 0.023 0.000 0.255 358 K C -0.309 176.093 176.600 -0.330 0.000 0.936 358 K CA -0.884 55.077 56.287 -0.543 0.000 0.809 358 K CB 2.210 34.275 32.500 -0.726 0.000 1.131 358 K HN 0.279 nan 8.250 nan 0.000 0.427 359 L N -0.383 120.789 121.223 -0.086 0.000 2.400 359 L HA 0.642 4.995 4.340 0.023 0.000 0.264 359 L C 0.022 176.697 176.870 -0.325 0.000 1.061 359 L CA -0.433 54.310 54.840 -0.162 0.000 0.799 359 L CB 0.252 42.296 42.059 -0.025 0.000 1.240 359 L HN 0.447 nan 8.230 nan 0.000 0.461 360 I N 1.300 121.782 120.570 -0.147 0.000 2.330 360 I HA 0.362 4.546 4.170 0.023 0.000 0.286 360 I C -2.161 173.985 176.117 0.048 0.000 1.025 360 I CA -1.685 59.590 61.300 -0.042 0.000 1.197 360 I CB 1.244 39.243 38.000 -0.002 0.000 1.358 360 I HN 0.453 nan 8.210 nan 0.000 0.467 361 P HA 0.055 nan 4.420 nan 0.000 0.267 361 P C 0.374 177.750 177.300 0.126 0.000 1.209 361 P CA 0.004 63.161 63.100 0.095 0.000 0.763 361 P CB 0.564 32.313 31.700 0.083 0.000 0.816 362 E N 2.129 122.406 120.200 0.129 0.000 2.219 362 E HA -0.242 4.121 4.350 0.023 0.000 0.198 362 E C 1.346 178.003 176.600 0.095 0.000 0.998 362 E CA 1.006 57.468 56.400 0.104 0.000 0.818 362 E CB -0.041 29.719 29.700 0.101 0.000 0.741 362 E HN 0.539 nan 8.360 nan 0.000 0.477 363 E N 0.255 120.513 120.200 0.097 0.000 2.204 363 E HA -0.134 4.230 4.350 0.023 0.000 0.195 363 E C 2.070 178.735 176.600 0.110 0.000 0.990 363 E CA 0.716 57.169 56.400 0.088 0.000 0.821 363 E CB 0.070 29.815 29.700 0.074 0.000 0.750 363 E HN 0.388 nan 8.360 nan 0.000 0.477 364 L N -0.424 120.889 121.223 0.150 0.000 2.221 364 L HA 0.063 4.417 4.340 0.023 0.000 0.202 364 L C 0.677 177.669 176.870 0.203 0.000 1.074 364 L CA 0.414 55.377 54.840 0.206 0.000 0.795 364 L CB 0.419 42.678 42.059 0.333 0.000 0.960 364 L HN -0.208 nan 8.230 nan 0.000 0.458 365 V N 1.619 121.635 119.914 0.171 0.000 2.398 365 V HA 0.313 4.446 4.120 0.023 0.000 0.282 365 V C -2.315 173.831 176.094 0.085 0.000 1.014 365 V CA -1.447 60.937 62.300 0.140 0.000 0.838 365 V CB 1.523 33.431 31.823 0.141 0.000 1.018 365 V HN -0.036 nan 8.190 nan 0.000 0.432 366 P HA 0.164 nan 4.420 nan 0.000 0.272 366 P C -0.343 176.955 177.300 -0.002 0.000 1.230 366 P CA -0.000 63.121 63.100 0.035 0.000 0.788 366 P CB 1.218 32.942 31.700 0.040 0.000 0.949 367 V N 2.970 122.851 119.914 -0.055 0.000 2.432 367 V HA 0.101 4.235 4.120 0.023 0.000 0.271 367 V C 0.757 176.839 176.094 -0.021 0.000 1.046 367 V CA -0.007 62.225 62.300 -0.113 0.000 0.945 367 V CB 0.183 31.839 31.823 -0.278 0.000 0.992 367 V HN 0.460 nan 8.190 nan 0.000 0.471 368 Q N 4.908 124.717 119.800 0.014 0.000 2.274 368 Q HA 0.419 4.773 4.340 0.023 0.000 0.256 368 Q C -0.247 175.746 176.000 -0.011 0.000 0.927 368 Q CA -0.544 55.271 55.803 0.019 0.000 0.939 368 Q CB 1.562 30.324 28.738 0.040 0.000 1.201 368 Q HN 0.623 nan 8.270 nan 0.000 0.426 369 R N 1.313 121.831 120.500 0.031 0.000 2.570 369 R HA 0.052 4.405 4.340 0.023 0.000 0.277 369 R C 0.302 176.633 176.300 0.053 0.000 1.039 369 R CA -0.096 56.064 56.100 0.100 0.000 1.065 369 R CB 0.471 30.899 30.300 0.213 0.000 0.964 369 R HN 0.429 nan 8.270 nan 0.000 0.428 370 V N 0.919 120.781 119.914 -0.086 0.000 3.250 370 V HA 0.310 4.444 4.120 0.023 0.000 0.240 370 V C 0.729 176.563 176.094 -0.432 0.000 1.275 370 V CA 1.015 63.132 62.300 -0.305 0.000 1.206 370 V CB 1.041 32.421 31.823 -0.738 0.000 0.976 370 V HN 1.035 nan 8.190 nan 0.000 0.467 371 G N -0.218 108.197 108.800 -0.641 0.000 2.441 371 G HA2 0.492 4.465 3.960 0.023 0.000 0.294 371 G HA3 0.492 4.465 3.960 0.023 0.000 0.294 371 G C -1.883 172.679 174.900 -0.563 0.000 1.393 371 G CA -0.539 43.927 45.100 -1.057 0.000 0.796 371 G HN 0.053 nan 8.290 nan 0.000 0.494 372 K N -0.439 119.664 120.400 -0.494 0.000 2.378 372 K HA 0.737 5.071 4.320 0.023 0.000 0.252 372 K C -0.958 175.684 176.600 0.071 0.000 0.931 372 K CA -0.803 55.473 56.287 -0.018 0.000 0.794 372 K CB 2.075 34.609 32.500 0.057 0.000 1.181 372 K HN 0.598 nan 8.250 nan 0.000 0.425 373 M N 4.715 124.474 119.600 0.265 0.000 2.321 373 M HA 0.412 4.905 4.480 0.023 0.000 0.315 373 M C -1.787 174.486 176.300 -0.044 0.000 1.052 373 M CA -0.776 54.620 55.300 0.158 0.000 0.936 373 M CB 1.731 34.452 32.600 0.202 0.000 1.639 373 M HN 0.357 nan 8.290 nan 0.000 0.433 374 V N 5.654 125.369 119.914 -0.333 0.000 2.487 374 V HA 0.465 4.599 4.120 0.023 0.000 0.298 374 V C -0.939 175.009 176.094 -0.243 0.000 1.028 374 V CA -0.853 61.273 62.300 -0.289 0.000 0.860 374 V CB 1.776 33.331 31.823 -0.447 0.000 0.991 374 V HN 0.657 nan 8.190 nan 0.000 0.427 375 L N 5.914 127.083 121.223 -0.090 0.000 2.264 375 L HA 0.490 4.844 4.340 0.023 0.000 0.287 375 L C 0.674 177.431 176.870 -0.188 0.000 1.039 375 L CA 0.131 54.921 54.840 -0.084 0.000 0.829 375 L CB 0.925 42.998 42.059 0.023 0.000 1.211 375 L HN 0.896 nan 8.230 nan 0.000 0.427 376 N N 2.087 120.584 118.700 -0.337 0.000 2.160 376 N HA 0.138 4.891 4.740 0.023 0.000 0.226 376 N C 0.108 175.396 175.510 -0.369 0.000 1.256 376 N CA -0.221 52.340 53.050 -0.814 0.000 0.890 376 N CB 0.802 38.464 38.487 -1.375 0.000 1.116 376 N HN 0.365 nan 8.380 nan 0.000 0.517 377 R N 0.351 120.765 120.500 -0.144 0.000 2.548 377 R HA 0.316 4.670 4.340 0.023 0.000 0.280 377 R C -1.205 175.052 176.300 -0.072 0.000 1.061 377 R CA -0.583 55.462 56.100 -0.091 0.000 0.915 377 R CB 1.384 31.640 30.300 -0.073 0.000 1.210 377 R HN 0.065 nan 8.270 nan 0.000 0.442 378 N N 3.267 121.804 118.700 -0.271 0.000 2.444 378 N HA 0.232 4.986 4.740 0.023 0.000 0.255 378 N C -2.259 173.188 175.510 -0.105 0.000 1.255 378 N CA -1.168 51.585 53.050 -0.495 0.000 0.933 378 N CB 0.474 38.003 38.487 -1.596 0.000 1.143 378 N HN 0.287 nan 8.380 nan 0.000 0.453 379 P HA 0.059 nan 4.420 nan 0.000 0.271 379 P C 0.164 177.651 177.300 0.312 0.000 1.244 379 P CA -0.046 63.256 63.100 0.337 0.000 0.793 379 P CB 0.975 32.927 31.700 0.419 0.000 0.984 380 D N -0.873 119.680 120.400 0.255 0.000 2.201 380 D HA -0.024 4.630 4.640 0.023 0.000 0.209 380 D C 0.486 176.960 176.300 0.290 0.000 0.961 380 D CA 1.383 55.528 54.000 0.242 0.000 0.861 380 D CB 0.214 41.098 40.800 0.139 0.000 0.997 380 D HN 0.395 nan 8.370 nan 0.000 0.486 381 N N -0.298 118.568 118.700 0.276 0.000 2.461 381 N HA 0.005 4.758 4.740 0.023 0.000 0.284 381 N C -0.039 175.676 175.510 0.343 0.000 1.049 381 N CA -0.345 52.880 53.050 0.292 0.000 0.889 381 N CB 1.562 40.187 38.487 0.229 0.000 1.365 381 N HN -0.173 nan 8.380 nan 0.000 0.499 382 F N 4.242 124.341 119.950 0.249 0.000 2.095 382 F HA -0.148 4.392 4.527 0.022 0.000 0.298 382 F C 1.671 177.602 175.800 0.218 0.000 1.104 382 F CA 1.467 59.615 58.000 0.247 0.000 1.232 382 F CB -0.097 39.021 39.000 0.196 0.000 0.987 382 F HN 0.610 nan 8.300 nan 0.000 0.475 383 F N 0.784 120.973 119.950 0.399 0.000 2.075 383 F HA -0.146 4.395 4.527 0.024 0.000 0.297 383 F C 2.316 178.175 175.800 0.098 0.000 1.113 383 F CA 1.810 59.962 58.000 0.252 0.000 1.218 383 F CB -0.907 38.218 39.000 0.209 0.000 0.984 383 F HN -0.011 nan 8.300 nan 0.000 0.472 384 A N -0.395 122.557 122.820 0.220 0.000 1.930 384 A HA -0.144 4.190 4.320 0.023 0.000 0.217 384 A C 2.070 179.594 177.584 -0.100 0.000 1.175 384 A CA 1.950 54.033 52.037 0.077 0.000 0.627 384 A CB -0.640 18.452 19.000 0.155 0.000 0.815 384 A HN 0.585 nan 8.150 nan 0.000 0.443 385 E N -1.257 118.897 120.200 -0.076 0.000 2.132 385 E HA -0.062 4.302 4.350 0.023 0.000 0.193 385 E C 1.977 178.494 176.600 -0.138 0.000 0.951 385 E CA 0.463 56.761 56.400 -0.170 0.000 0.843 385 E CB -0.131 29.520 29.700 -0.082 0.000 0.807 385 E HN 0.558 nan 8.360 nan 0.000 0.467 386 N N 1.343 119.952 118.700 -0.152 0.000 2.176 386 N HA -0.167 4.587 4.740 0.023 0.000 0.187 386 N C 1.850 177.191 175.510 -0.283 0.000 1.043 386 N CA 1.438 54.339 53.050 -0.249 0.000 0.851 386 N CB 0.051 37.964 38.487 -0.956 0.000 1.018 386 N HN -0.052 nan 8.380 nan 0.000 0.436 387 E N 0.781 120.743 120.200 -0.398 0.000 2.077 387 E HA -0.098 4.265 4.350 0.023 0.000 0.193 387 E C 1.662 178.074 176.600 -0.315 0.000 0.989 387 E CA 1.469 57.708 56.400 -0.270 0.000 0.800 387 E CB -0.179 29.380 29.700 -0.235 0.000 0.746 387 E HN 0.497 nan 8.360 nan 0.000 0.452 388 Q N -0.142 119.398 119.800 -0.432 0.000 2.444 388 Q HA 0.231 4.584 4.340 0.023 0.000 0.206 388 Q C 0.052 175.928 176.000 -0.208 0.000 0.948 388 Q CA 0.206 55.813 55.803 -0.327 0.000 0.946 388 Q CB 0.413 28.947 28.738 -0.340 0.000 1.027 388 Q HN 0.229 nan 8.270 nan 0.000 0.513 389 A N 1.154 123.870 122.820 -0.174 0.000 2.445 389 A HA 0.495 4.829 4.320 0.023 0.000 0.242 389 A C -0.152 177.297 177.584 -0.225 0.000 1.075 389 A CA 0.142 52.050 52.037 -0.215 0.000 0.777 389 A CB 0.320 19.261 19.000 -0.097 0.000 1.013 389 A HN 0.268 nan 8.150 nan 0.000 0.493 390 A N 1.899 124.514 122.820 -0.342 0.000 2.375 390 A HA 0.685 5.019 4.320 0.023 0.000 0.291 390 A C -0.890 176.548 177.584 -0.244 0.000 1.160 390 A CA -0.405 51.517 52.037 -0.192 0.000 0.747 390 A CB 0.375 19.287 19.000 -0.146 0.000 1.170 390 A HN 0.639 nan 8.150 nan 0.000 0.458 391 F N 1.102 121.062 119.950 0.017 0.000 2.450 391 F HA 0.649 5.190 4.527 0.023 0.000 0.332 391 F C 0.309 176.084 175.800 -0.041 0.000 1.093 391 F CA -0.174 57.812 58.000 -0.024 0.000 1.003 391 F CB 2.010 40.935 39.000 -0.125 0.000 1.151 391 F HN 0.746 nan 8.300 nan 0.000 0.474 392 H N 3.602 122.556 119.070 -0.194 0.000 3.042 392 H HA 0.303 4.873 4.556 0.023 0.000 0.345 392 H C -2.448 172.501 175.328 -0.630 0.000 1.052 392 H CA -1.913 53.774 56.048 -0.602 0.000 1.311 392 H CB 2.742 32.091 29.762 -0.688 0.000 1.810 392 H HN 0.190 nan 8.280 nan 0.000 0.505 393 P HA 0.014 nan 4.420 nan 0.000 0.237 393 P C 1.142 178.307 177.300 -0.225 0.000 1.178 393 P CA 1.123 63.899 63.100 -0.540 0.000 0.766 393 P CB 0.138 31.578 31.700 -0.433 0.000 0.876 394 G N -0.894 107.566 108.800 -0.565 0.000 2.598 394 G HA2 -0.159 3.815 3.960 0.023 0.000 0.215 394 G HA3 -0.159 3.815 3.960 0.023 0.000 0.215 394 G C 0.420 175.522 174.900 0.337 0.000 1.131 394 G CA 0.034 45.182 45.100 0.080 0.000 0.785 394 G HN 0.438 nan 8.290 nan 0.000 0.539 395 H N 0.678 119.865 119.070 0.195 0.000 3.118 395 H HA 0.360 4.930 4.556 0.022 0.000 0.266 395 H C 0.591 176.025 175.328 0.176 0.000 1.465 395 H CA -0.813 55.320 56.048 0.143 0.000 1.460 395 H CB 0.034 29.846 29.762 0.084 0.000 1.661 395 H HN 0.370 nan 8.280 nan 0.000 0.516 396 I N -0.246 120.446 120.570 0.203 0.000 3.217 396 I HA 0.692 4.876 4.170 0.023 0.000 0.308 396 I C -0.180 175.910 176.117 -0.044 0.000 1.091 396 I CA -1.406 59.927 61.300 0.055 0.000 1.013 396 I CB 1.809 39.711 38.000 -0.162 0.000 1.250 396 I HN 0.135 nan 8.210 nan 0.000 0.496 397 V N -2.542 117.324 119.914 -0.080 0.000 3.078 397 V HA 0.664 4.798 4.120 0.023 0.000 0.311 397 V C -2.867 173.322 176.094 0.158 0.000 1.138 397 V CA -2.479 59.843 62.300 0.036 0.000 1.007 397 V CB 1.025 32.849 31.823 0.002 0.000 1.045 397 V HN 0.632 nan 8.190 nan 0.000 0.432 398 P HA 0.354 nan 4.420 nan 0.000 0.264 398 P C 0.957 178.259 177.300 0.004 0.000 1.183 398 P CA 1.985 65.162 63.100 0.128 0.000 0.763 398 P CB 0.698 32.446 31.700 0.080 0.000 0.807 399 G N 1.355 110.112 108.800 -0.073 0.000 2.213 399 G HA2 -0.172 3.802 3.960 0.023 0.000 0.226 399 G HA3 -0.172 3.802 3.960 0.023 0.000 0.226 399 G C -0.261 174.555 174.900 -0.140 0.000 0.992 399 G CA -0.311 44.726 45.100 -0.105 0.000 0.632 399 G HN 0.460 nan 8.290 nan 0.000 0.511 400 L N -0.086 121.066 121.223 -0.119 0.000 2.333 400 L HA 0.933 5.286 4.340 0.023 0.000 0.263 400 L C -0.512 176.306 176.870 -0.087 0.000 1.014 400 L CA -1.092 53.653 54.840 -0.159 0.000 0.820 400 L CB 2.138 44.008 42.059 -0.314 0.000 1.352 400 L HN 0.079 nan 8.230 nan 0.000 0.421 401 D N -0.675 119.651 120.400 -0.123 0.000 2.665 401 D HA 0.466 5.120 4.640 0.023 0.000 0.287 401 D C -1.326 174.905 176.300 -0.115 0.000 1.266 401 D CA -0.351 53.544 54.000 -0.176 0.000 0.830 401 D CB 2.033 42.817 40.800 -0.026 0.000 1.356 401 D HN 0.127 nan 8.370 nan 0.000 0.437 402 F N -0.149 119.926 119.950 0.209 0.000 2.364 402 F HA 0.509 5.050 4.527 0.023 0.000 0.316 402 F C 1.487 177.304 175.800 0.029 0.000 1.133 402 F CA -0.264 57.788 58.000 0.086 0.000 1.051 402 F CB 1.268 40.292 39.000 0.040 0.000 1.342 402 F HN 0.193 nan 8.300 nan 0.000 0.507 403 T N -3.201 111.440 114.554 0.146 0.000 2.742 403 T HA 0.309 4.673 4.350 0.023 0.000 0.282 403 T C -0.031 174.695 174.700 0.043 0.000 1.025 403 T CA -0.970 61.197 62.100 0.113 0.000 1.020 403 T CB 1.155 70.070 68.868 0.079 0.000 1.317 403 T HN 0.355 nan 8.240 nan 0.000 0.538 404 N N 1.130 119.861 118.700 0.051 0.000 2.449 404 N HA 0.066 4.819 4.740 0.023 0.000 0.191 404 N C 0.057 175.562 175.510 -0.008 0.000 1.161 404 N CA 0.052 53.112 53.050 0.017 0.000 0.863 404 N CB -0.459 38.056 38.487 0.046 0.000 0.980 404 N HN 0.701 nan 8.380 nan 0.000 0.458 405 D N 2.385 122.770 120.400 -0.026 0.000 2.662 405 D HA -0.093 4.560 4.640 0.023 0.000 0.237 405 D C -1.417 174.862 176.300 -0.036 0.000 1.154 405 D CA -0.771 53.236 54.000 0.011 0.000 0.861 405 D CB 1.225 41.977 40.800 -0.080 0.000 1.146 405 D HN 0.154 nan 8.370 nan 0.000 0.518 406 P HA -0.077 nan 4.420 nan 0.000 0.233 406 P C 1.477 178.779 177.300 0.004 0.000 1.167 406 P CA 0.075 63.170 63.100 -0.010 0.000 0.770 406 P CB 0.384 32.063 31.700 -0.035 0.000 0.837 407 L N -0.238 121.008 121.223 0.038 0.000 2.084 407 L HA 0.022 4.376 4.340 0.023 0.000 0.202 407 L C 2.337 179.120 176.870 -0.144 0.000 1.074 407 L CA 1.236 56.099 54.840 0.037 0.000 0.757 407 L CB -1.546 40.625 42.059 0.187 0.000 0.918 407 L HN -0.176 nan 8.230 nan 0.000 0.444 408 L N -0.453 120.502 121.223 -0.447 0.000 2.042 408 L HA -0.242 4.111 4.340 0.023 0.000 0.210 408 L C 2.461 179.080 176.870 -0.417 0.000 1.076 408 L CA 1.836 56.215 54.840 -0.769 0.000 0.749 408 L CB -0.894 40.449 42.059 -1.194 0.000 0.893 408 L HN 0.385 nan 8.230 nan 0.000 0.432 409 Q N -0.267 119.357 119.800 -0.293 0.000 2.096 409 Q HA -0.148 4.206 4.340 0.023 0.000 0.204 409 Q C 2.114 178.033 176.000 -0.136 0.000 0.982 409 Q CA 1.748 57.419 55.803 -0.219 0.000 0.850 409 Q CB -0.750 27.908 28.738 -0.134 0.000 0.901 409 Q HN 0.708 nan 8.270 nan 0.000 0.422 410 G N 0.540 109.292 108.800 -0.081 0.000 2.421 410 G HA2 -0.221 3.753 3.960 0.023 0.000 0.217 410 G HA3 -0.221 3.753 3.960 0.023 0.000 0.217 410 G C 1.522 176.446 174.900 0.040 0.000 1.143 410 G CA 0.221 45.323 45.100 0.003 0.000 0.784 410 G HN 0.252 nan 8.290 nan 0.000 0.541 411 R N -0.088 120.385 120.500 -0.045 0.000 2.105 411 R HA 0.000 4.354 4.340 0.023 0.000 0.239 411 R C 2.529 178.911 176.300 0.137 0.000 1.135 411 R CA 0.987 57.119 56.100 0.052 0.000 0.967 411 R CB -0.507 29.782 30.300 -0.018 0.000 0.861 411 R HN 0.343 nan 8.270 nan 0.000 0.442 412 L N -0.360 120.836 121.223 -0.045 0.000 2.127 412 L HA -0.217 4.136 4.340 0.023 0.000 0.211 412 L C 2.319 179.329 176.870 0.232 0.000 1.089 412 L CA 1.183 56.020 54.840 -0.003 0.000 0.757 412 L CB -0.488 41.432 42.059 -0.233 0.000 0.899 412 L HN 0.166 nan 8.230 nan 0.000 0.434 413 F N 0.140 120.124 119.950 0.056 0.000 2.163 413 F HA -0.191 4.350 4.527 0.023 0.000 0.297 413 F C 2.776 178.619 175.800 0.072 0.000 1.094 413 F CA 1.595 59.625 58.000 0.049 0.000 1.290 413 F CB -0.231 38.777 39.000 0.012 0.000 1.017 413 F HN -0.041 nan 8.300 nan 0.000 0.483 414 S N -0.831 114.881 115.700 0.020 0.000 2.371 414 S HA -0.186 4.298 4.470 0.023 0.000 0.224 414 S C 2.068 176.532 174.600 -0.225 0.000 1.029 414 S CA 1.279 59.377 58.200 -0.170 0.000 0.978 414 S CB -0.760 62.377 63.200 -0.105 0.000 0.833 414 S HN 0.520 nan 8.310 nan 0.000 0.466 415 Y N 1.753 122.054 120.300 0.002 0.000 2.200 415 Y HA -0.078 4.485 4.550 0.023 0.000 0.290 415 Y C 3.009 178.639 175.900 -0.450 0.000 1.137 415 Y CA 1.617 59.718 58.100 0.002 0.000 1.163 415 Y CB -0.952 38.304 38.460 1.327 0.000 0.988 415 Y HN 0.255 nan 8.280 nan 0.000 0.518 416 T N -0.450 113.752 114.554 -0.587 0.000 2.674 416 T HA -0.235 4.129 4.350 0.023 0.000 0.265 416 T C 1.457 175.955 174.700 -0.337 0.000 1.039 416 T CA 1.766 63.596 62.100 -0.451 0.000 1.150 416 T CB -0.529 68.127 68.868 -0.353 0.000 0.864 416 T HN 0.371 nan 8.240 nan 0.000 0.427 417 D N 0.433 120.573 120.400 -0.433 0.000 2.092 417 D HA -0.127 4.527 4.640 0.023 0.000 0.193 417 D C 2.309 178.456 176.300 -0.256 0.000 0.994 417 D CA 1.757 55.524 54.000 -0.389 0.000 0.828 417 D CB -0.529 39.864 40.800 -0.679 0.000 0.963 417 D HN 0.270 nan 8.370 nan 0.000 0.450 418 T N -1.163 113.233 114.554 -0.263 0.000 2.867 418 T HA -0.133 4.230 4.350 0.023 0.000 0.268 418 T C 1.846 176.424 174.700 -0.204 0.000 1.057 418 T CA 1.391 63.377 62.100 -0.190 0.000 1.136 418 T CB -0.222 68.534 68.868 -0.187 0.000 0.874 418 T HN 0.218 nan 8.240 nan 0.000 0.466 419 Q N -0.153 119.456 119.800 -0.318 0.000 2.224 419 Q HA -0.016 4.338 4.340 0.023 0.000 0.203 419 Q C 2.043 177.857 176.000 -0.311 0.000 0.970 419 Q CA 0.926 56.451 55.803 -0.462 0.000 0.865 419 Q CB -0.083 28.081 28.738 -0.958 0.000 0.922 419 Q HN 0.426 nan 8.270 nan 0.000 0.445 420 I N 0.216 120.687 120.570 -0.165 0.000 2.394 420 I HA -0.218 3.965 4.170 0.023 0.000 0.251 420 I C 2.332 178.455 176.117 0.009 0.000 1.136 420 I CA 1.472 62.773 61.300 0.001 0.000 1.425 420 I CB -0.987 37.026 38.000 0.023 0.000 1.079 420 I HN 0.185 nan 8.210 nan 0.000 0.425 421 S N 0.008 115.693 115.700 -0.025 0.000 2.404 421 S HA -0.094 4.390 4.470 0.023 0.000 0.223 421 S C 2.203 176.804 174.600 0.002 0.000 1.040 421 S CA 0.311 58.512 58.200 0.001 0.000 0.957 421 S CB -0.436 62.765 63.200 0.002 0.000 0.826 421 S HN 0.343 nan 8.310 nan 0.000 0.491 422 R N 0.944 121.422 120.500 -0.037 0.000 2.081 422 R HA 0.128 4.482 4.340 0.023 0.000 0.235 422 R C 1.384 177.678 176.300 -0.010 0.000 1.131 422 R CA 1.457 57.539 56.100 -0.029 0.000 0.960 422 R CB -0.268 29.993 30.300 -0.065 0.000 0.856 422 R HN 0.465 nan 8.270 nan 0.000 0.436 423 L N -0.765 120.444 121.223 -0.024 0.000 2.857 423 L HA 0.336 4.689 4.340 0.023 0.000 0.249 423 L C 0.773 177.709 176.870 0.110 0.000 1.172 423 L CA 0.256 55.105 54.840 0.015 0.000 0.980 423 L CB 1.169 43.218 42.059 -0.017 0.000 1.299 423 L HN 0.555 nan 8.230 nan 0.000 0.535 424 G N -0.031 108.847 108.800 0.130 0.000 2.143 424 G HA2 -0.095 3.879 3.960 0.023 0.000 0.249 424 G HA3 -0.095 3.879 3.960 0.023 0.000 0.249 424 G C 0.457 175.488 174.900 0.220 0.000 0.981 424 G CA 0.072 45.303 45.100 0.219 0.000 0.665 424 G HN 0.797 nan 8.290 nan 0.000 0.528 425 G N -1.605 107.316 108.800 0.201 0.000 2.350 425 G HA2 0.565 4.539 3.960 0.023 0.000 0.282 425 G HA3 0.565 4.539 3.960 0.023 0.000 0.282 425 G C -2.205 172.854 174.900 0.265 0.000 1.314 425 G CA 0.374 45.578 45.100 0.172 0.000 0.915 425 G HN 0.518 nan 8.290 nan 0.000 0.499 426 P HA 0.158 nan 4.420 nan 0.000 0.255 426 P C 0.294 177.607 177.300 0.021 0.000 1.248 426 P CA 0.300 63.508 63.100 0.180 0.000 0.807 426 P CB 0.198 31.958 31.700 0.101 0.000 1.150 427 N N 0.434 119.149 118.700 0.025 0.000 2.327 427 N HA 0.066 4.820 4.740 0.023 0.000 0.231 427 N C 1.009 176.333 175.510 -0.310 0.000 1.130 427 N CA -0.155 52.779 53.050 -0.194 0.000 0.845 427 N CB -0.603 37.818 38.487 -0.109 0.000 1.073 427 N HN 0.267 nan 8.380 nan 0.000 0.496 428 F N 0.605 120.527 119.950 -0.047 0.000 2.408 428 F HA -0.073 4.467 4.527 0.021 0.000 0.300 428 F C 2.197 177.922 175.800 -0.126 0.000 1.090 428 F CA 0.745 58.698 58.000 -0.079 0.000 1.427 428 F CB -0.752 38.229 39.000 -0.031 0.000 1.070 428 F HN 0.184 nan 8.300 nan 0.000 0.549 429 H N 0.242 118.978 119.070 -0.557 0.000 2.546 429 H HA 0.101 4.671 4.556 0.023 0.000 0.277 429 H C 0.897 176.071 175.328 -0.256 0.000 1.004 429 H CA 1.229 57.032 56.048 -0.409 0.000 1.231 429 H CB -0.656 28.717 29.762 -0.648 0.000 1.382 429 H HN 0.512 nan 8.280 nan 0.000 0.580 430 E N 0.957 120.750 120.200 -0.677 0.000 2.442 430 E HA 0.165 4.529 4.350 0.023 0.000 0.195 430 E C 0.320 176.808 176.600 -0.188 0.000 1.030 430 E CA -0.278 55.895 56.400 -0.378 0.000 0.869 430 E CB 0.476 29.942 29.700 -0.389 0.000 0.857 430 E HN 0.422 nan 8.360 nan 0.000 0.505 431 I N 2.700 123.178 120.570 -0.153 0.000 2.668 431 I HA -0.061 4.123 4.170 0.023 0.000 0.285 431 I C -1.574 174.483 176.117 -0.100 0.000 1.168 431 I CA -1.346 59.892 61.300 -0.103 0.000 1.424 431 I CB 0.589 38.541 38.000 -0.079 0.000 1.377 431 I HN -0.164 nan 8.210 nan 0.000 0.560 432 P HA -0.241 nan 4.420 nan 0.000 0.216 432 P C 1.752 178.977 177.300 -0.125 0.000 1.157 432 P CA 1.216 64.257 63.100 -0.098 0.000 0.880 432 P CB 0.162 31.810 31.700 -0.087 0.000 0.791 433 I N -0.612 119.857 120.570 -0.168 0.000 2.423 433 I HA -0.219 3.965 4.170 0.023 0.000 0.254 433 I C 1.329 177.368 176.117 -0.131 0.000 1.151 433 I CA 1.741 62.889 61.300 -0.252 0.000 1.421 433 I CB -0.656 37.086 38.000 -0.430 0.000 1.079 433 I HN -0.099 nan 8.210 nan 0.000 0.431 434 N N 0.551 119.194 118.700 -0.095 0.000 2.422 434 N HA 0.040 4.794 4.740 0.023 0.000 0.181 434 N C 0.286 175.806 175.510 0.016 0.000 1.080 434 N CA 0.202 53.227 53.050 -0.042 0.000 0.893 434 N CB -0.080 38.396 38.487 -0.017 0.000 0.973 434 N HN 0.383 nan 8.380 nan 0.000 0.456 435 R N 1.800 122.305 120.500 0.008 0.000 2.537 435 R HA 0.145 4.499 4.340 0.023 0.000 0.280 435 R C -2.155 174.201 176.300 0.093 0.000 1.058 435 R CA -1.173 54.935 56.100 0.013 0.000 1.057 435 R CB -0.110 30.183 30.300 -0.012 0.000 0.973 435 R HN 0.059 nan 8.270 nan 0.000 0.438 436 P HA -0.039 nan 4.420 nan 0.000 0.269 436 P C 0.532 177.894 177.300 0.104 0.000 1.215 436 P CA 0.082 63.251 63.100 0.116 0.000 0.780 436 P CB 0.600 32.331 31.700 0.052 0.000 0.898 437 T N -2.296 112.330 114.554 0.119 0.000 3.067 437 T HA 0.029 4.393 4.350 0.023 0.000 0.257 437 T C 1.029 175.763 174.700 0.058 0.000 1.105 437 T CA 0.100 62.227 62.100 0.044 0.000 1.104 437 T CB -0.969 67.915 68.868 0.026 0.000 0.925 437 T HN 0.618 nan 8.240 nan 0.000 0.498 438 C N 1.363 120.713 119.300 0.084 0.000 2.403 438 C HA 0.744 5.217 4.460 0.023 0.000 0.361 438 C C -2.474 172.568 174.990 0.087 0.000 1.274 438 C CA -2.565 56.503 59.018 0.083 0.000 2.433 438 C CB 0.010 27.805 27.740 0.093 0.000 2.323 438 C HN 0.165 nan 8.230 nan 0.000 0.614 439 P HA 0.274 nan 4.420 nan 0.000 0.268 439 P C -1.230 176.131 177.300 0.101 0.000 1.205 439 P CA 0.450 63.614 63.100 0.107 0.000 0.771 439 P CB -0.044 31.769 31.700 0.188 0.000 0.858 440 Y N 1.262 121.429 120.300 -0.221 0.000 2.354 440 Y HA 0.634 5.198 4.550 0.022 0.000 0.330 440 Y C -1.426 174.121 175.900 -0.588 0.000 1.011 440 Y CA -0.890 57.060 58.100 -0.249 0.000 1.099 440 Y CB 1.320 39.666 38.460 -0.191 0.000 1.179 440 Y HN 0.445 nan 8.280 nan 0.000 0.442 441 H N 3.966 122.950 119.070 -0.144 0.000 2.947 441 H HA 0.556 5.126 4.556 0.023 0.000 0.354 441 H C -1.164 174.051 175.328 -0.188 0.000 1.085 441 H CA -0.782 55.095 56.048 -0.285 0.000 1.253 441 H CB 1.710 31.329 29.762 -0.238 0.000 1.757 441 H HN 0.892 nan 8.280 nan 0.000 0.523 442 N N 0.323 118.918 118.700 -0.175 0.000 3.441 442 N HA 0.162 4.916 4.740 0.023 0.000 0.313 442 N C -1.265 174.024 175.510 -0.368 0.000 1.526 442 N CA -0.908 51.987 53.050 -0.258 0.000 0.871 442 N CB 0.622 39.118 38.487 0.015 0.000 1.779 442 N HN 0.308 nan 8.380 nan 0.000 0.529 443 F N -0.327 119.669 119.950 0.076 0.000 2.639 443 F HA 0.360 4.901 4.527 0.022 0.000 0.302 443 F C 0.408 176.254 175.800 0.078 0.000 1.097 443 F CA -0.369 57.671 58.000 0.067 0.000 1.294 443 F CB 0.233 39.267 39.000 0.057 0.000 1.027 443 F HN 0.135 nan 8.300 nan 0.000 0.550 444 Q N 1.851 121.762 119.800 0.185 0.000 2.332 444 Q HA 0.338 4.692 4.340 0.023 0.000 0.263 444 Q C 0.062 176.142 176.000 0.133 0.000 0.979 444 Q CA 0.128 56.019 55.803 0.147 0.000 0.885 444 Q CB 0.960 29.762 28.738 0.108 0.000 1.218 444 Q HN 0.118 nan 8.270 nan 0.000 0.405 445 R N 1.873 122.444 120.500 0.118 0.000 2.836 445 R HA 0.368 4.722 4.340 0.023 0.000 0.269 445 R C -0.564 175.784 176.300 0.080 0.000 1.010 445 R CA -0.630 55.530 56.100 0.100 0.000 0.930 445 R CB 1.292 31.653 30.300 0.102 0.000 1.218 445 R HN 0.714 nan 8.270 nan 0.000 0.473 446 D N -0.195 120.245 120.400 0.065 0.000 3.455 446 D HA -0.183 4.471 4.640 0.023 0.000 0.216 446 D C 0.362 176.688 176.300 0.044 0.000 1.510 446 D CA 1.872 55.900 54.000 0.047 0.000 1.128 446 D CB -1.145 39.680 40.800 0.041 0.000 0.680 446 D HN 0.902 nan 8.370 nan 0.000 0.828 447 G N -1.129 107.689 108.800 0.030 0.000 2.733 447 G HA2 0.148 4.121 3.960 0.023 0.000 0.686 447 G HA3 0.148 4.121 3.960 0.023 0.000 0.686 447 G C -0.203 174.692 174.900 -0.008 0.000 1.373 447 G CA 0.118 45.230 45.100 0.020 0.000 0.838 447 G HN 0.806 nan 8.290 nan 0.000 0.588 448 M N 1.523 121.091 119.600 -0.054 0.000 2.250 448 M HA 0.426 4.919 4.480 0.023 0.000 0.337 448 M C 1.263 177.501 176.300 -0.104 0.000 1.161 448 M CA 1.425 56.611 55.300 -0.189 0.000 1.088 448 M CB -0.820 31.561 32.600 -0.366 0.000 1.639 448 M HN 1.245 nan 8.290 nan 0.000 0.447 449 H N -0.226 118.847 119.070 0.005 0.000 2.886 449 H HA -0.168 4.401 4.556 0.022 0.000 0.294 449 H C -0.397 174.920 175.328 -0.019 0.000 1.246 449 H CA 0.484 56.530 56.048 -0.003 0.000 1.142 449 H CB -1.558 28.204 29.762 -0.000 0.000 1.358 449 H HN 0.615 nan 8.280 nan 0.000 0.406 450 R N 1.273 121.814 120.500 0.067 0.000 2.370 450 R HA 0.126 4.479 4.340 0.023 0.000 0.309 450 R C 0.900 177.216 176.300 0.026 0.000 1.059 450 R CA 0.018 56.139 56.100 0.035 0.000 0.981 450 R CB 0.392 30.710 30.300 0.031 0.000 0.972 450 R HN 0.295 nan 8.270 nan 0.000 0.437 451 M N 2.574 122.176 119.600 0.003 0.000 2.556 451 M HA 0.236 4.729 4.480 0.023 0.000 0.264 451 M C 0.878 177.178 176.300 0.001 0.000 1.163 451 M CA 0.864 56.163 55.300 -0.002 0.000 1.186 451 M CB -0.632 31.954 32.600 -0.024 0.000 1.321 451 M HN 0.718 nan 8.290 nan 0.000 0.485 452 G N 1.934 110.739 108.800 0.008 0.000 2.343 452 G HA2 0.389 4.363 3.960 0.023 0.000 0.254 452 G HA3 0.389 4.363 3.960 0.023 0.000 0.254 452 G C -0.404 174.496 174.900 -0.000 0.000 1.277 452 G CA -0.332 44.769 45.100 0.000 0.000 0.909 452 G HN 0.298 nan 8.290 nan 0.000 0.502 453 I N 2.912 123.475 120.570 -0.011 0.000 2.306 453 I HA 0.106 4.289 4.170 0.023 0.000 0.288 453 I C -0.272 175.838 176.117 -0.012 0.000 1.036 453 I CA -0.503 60.794 61.300 -0.004 0.000 1.221 453 I CB 0.975 38.973 38.000 -0.004 0.000 1.385 453 I HN 0.357 nan 8.210 nan 0.000 0.472 454 D N 4.738 125.137 120.400 -0.002 0.000 2.308 454 D HA 0.106 4.760 4.640 0.023 0.000 0.251 454 D C 1.079 177.383 176.300 0.006 0.000 1.127 454 D CA 0.171 54.167 54.000 -0.006 0.000 0.876 454 D CB 1.861 42.666 40.800 0.009 0.000 1.176 454 D HN 0.556 nan 8.370 nan 0.000 0.446 455 T N -1.077 113.476 114.554 -0.002 0.000 3.054 455 T HA -0.036 4.327 4.350 0.023 0.000 0.255 455 T C 0.800 175.509 174.700 0.016 0.000 1.035 455 T CA -0.563 61.540 62.100 0.006 0.000 0.941 455 T CB 0.153 69.017 68.868 -0.007 0.000 1.026 455 T HN 0.108 nan 8.240 nan 0.000 0.533 456 N N 3.440 122.151 118.700 0.019 0.000 2.411 456 N HA 0.099 4.853 4.740 0.023 0.000 0.261 456 N C -1.620 173.933 175.510 0.071 0.000 1.248 456 N CA -1.606 51.469 53.050 0.041 0.000 0.885 456 N CB 1.412 39.923 38.487 0.040 0.000 1.062 456 N HN 0.047 nan 8.380 nan 0.000 0.471 457 P HA -0.035 nan 4.420 nan 0.000 0.219 457 P C -0.560 176.807 177.300 0.111 0.000 1.146 457 P CA 0.962 64.110 63.100 0.081 0.000 0.808 457 P CB 0.179 31.921 31.700 0.069 0.000 0.779 458 A N 0.747 123.625 122.820 0.097 0.000 2.292 458 A HA 0.380 4.713 4.320 0.023 0.000 0.319 458 A C 0.500 178.208 177.584 0.207 0.000 1.206 458 A CA -0.658 51.398 52.037 0.031 0.000 0.835 458 A CB -0.144 18.718 19.000 -0.230 0.000 1.164 458 A HN 0.288 nan 8.150 nan 0.000 0.505 459 N N 0.732 119.596 118.700 0.273 0.000 2.338 459 N HA 0.371 5.124 4.740 0.023 0.000 0.251 459 N C -0.856 174.844 175.510 0.317 0.000 1.199 459 N CA -0.379 52.904 53.050 0.389 0.000 0.879 459 N CB 0.262 38.922 38.487 0.288 0.000 1.159 459 N HN 0.691 nan 8.380 nan 0.000 0.514 460 Y N -1.273 118.900 120.300 -0.211 0.000 2.609 460 Y HA 0.639 5.203 4.550 0.022 0.000 0.336 460 Y C -1.542 173.733 175.900 -1.041 0.000 1.129 460 Y CA -1.397 56.408 58.100 -0.492 0.000 1.040 460 Y CB 0.981 39.311 38.460 -0.217 0.000 1.310 460 Y HN 0.073 nan 8.280 nan 0.000 0.460 461 E N 0.995 120.684 120.200 -0.853 0.000 2.340 461 E HA 0.675 5.038 4.350 0.023 0.000 0.273 461 E C -3.162 173.324 176.600 -0.190 0.000 0.891 461 E CA -2.095 53.912 56.400 -0.655 0.000 0.757 461 E CB 1.672 30.936 29.700 -0.726 0.000 1.231 461 E HN 0.545 nan 8.360 nan 0.000 0.439 462 P HA 0.275 nan 4.420 nan 0.000 0.275 462 P C -1.291 175.943 177.300 -0.111 0.000 1.227 462 P CA -0.439 62.584 63.100 -0.129 0.000 0.781 462 P CB 0.520 32.185 31.700 -0.059 0.000 0.906 463 N N -1.121 117.429 118.700 -0.250 0.000 2.312 463 N HA 0.368 5.122 4.740 0.023 0.000 0.296 463 N C 0.376 175.830 175.510 -0.093 0.000 1.193 463 N CA -0.769 52.148 53.050 -0.222 0.000 0.773 463 N CB 1.406 39.460 38.487 -0.721 0.000 1.435 463 N HN 0.185 nan 8.380 nan 0.000 0.484 464 S N 0.265 115.961 115.700 -0.007 0.000 2.497 464 S HA 0.001 4.484 4.470 0.023 0.000 0.218 464 S C 1.552 176.164 174.600 0.020 0.000 1.023 464 S CA -0.014 58.188 58.200 0.004 0.000 0.913 464 S CB -0.806 62.409 63.200 0.025 0.000 0.800 464 S HN 0.708 nan 8.310 nan 0.000 0.505 465 I N -0.698 119.888 120.570 0.027 0.000 2.830 465 I HA 0.223 4.406 4.170 0.023 0.000 0.263 465 I C 1.232 177.380 176.117 0.051 0.000 1.230 465 I CA 1.214 62.544 61.300 0.049 0.000 1.480 465 I CB -0.379 37.671 38.000 0.083 0.000 1.095 465 I HN 0.178 nan 8.210 nan 0.000 0.455 466 N N 1.197 119.925 118.700 0.046 0.000 2.351 466 N HA 0.048 4.801 4.740 0.023 0.000 0.254 466 N C -0.114 175.506 175.510 0.183 0.000 1.241 466 N CA -0.076 53.043 53.050 0.114 0.000 0.883 466 N CB -0.025 38.543 38.487 0.134 0.000 1.202 466 N HN 0.184 nan 8.380 nan 0.000 0.512 467 D N 0.742 121.204 120.400 0.103 0.000 2.751 467 D HA -0.265 4.389 4.640 0.023 0.000 0.233 467 D C -0.075 176.162 176.300 -0.104 0.000 1.149 467 D CA 1.157 55.196 54.000 0.065 0.000 0.682 467 D CB -1.288 39.630 40.800 0.197 0.000 1.068 467 D HN 0.521 nan 8.370 nan 0.000 0.429 468 N N -1.845 116.804 118.700 -0.085 0.000 2.800 468 N HA -0.242 4.512 4.740 0.023 0.000 0.250 468 N C -0.840 174.609 175.510 -0.103 0.000 1.078 468 N CA 1.378 54.336 53.050 -0.153 0.000 0.804 468 N CB -1.310 37.039 38.487 -0.231 0.000 1.135 468 N HN 0.524 nan 8.380 nan 0.000 0.565 469 W N 1.103 122.458 121.300 0.091 0.000 2.381 469 W HA 0.452 5.126 4.660 0.022 0.000 0.329 469 W C -1.672 174.896 176.519 0.081 0.000 1.157 469 W CA -1.602 55.780 57.345 0.063 0.000 1.240 469 W CB 0.664 30.109 29.460 -0.025 0.000 1.199 469 W HN -0.043 nan 8.180 nan 0.000 0.579 470 P HA 0.176 nan 4.420 nan 0.000 0.275 470 P C -0.718 176.713 177.300 0.218 0.000 1.228 470 P CA -0.085 63.154 63.100 0.232 0.000 0.786 470 P CB 0.956 32.633 31.700 -0.038 0.000 0.927 471 R N 1.268 121.851 120.500 0.139 0.000 2.540 471 R HA 0.311 4.665 4.340 0.023 0.000 0.287 471 R C 0.364 176.682 176.300 0.029 0.000 0.980 471 R CA -0.821 55.237 56.100 -0.071 0.000 0.966 471 R CB 1.038 31.053 30.300 -0.475 0.000 1.106 471 R HN 0.486 nan 8.270 nan 0.000 0.480 472 E N 0.784 120.998 120.200 0.023 0.000 2.459 472 E HA -0.012 4.351 4.350 0.023 0.000 0.264 472 E C -0.510 176.103 176.600 0.022 0.000 1.055 472 E CA 0.753 57.177 56.400 0.039 0.000 0.957 472 E CB 0.526 30.242 29.700 0.026 0.000 0.952 472 E HN 0.357 nan 8.360 nan 0.000 0.448 473 T N 3.524 118.106 114.554 0.046 0.000 2.841 473 T HA 0.336 4.700 4.350 0.023 0.000 0.285 473 T C -2.420 172.301 174.700 0.035 0.000 0.991 473 T CA -1.552 60.575 62.100 0.044 0.000 0.966 473 T CB 1.453 70.362 68.868 0.068 0.000 0.962 473 T HN 0.248 nan 8.240 nan 0.000 0.438 474 P HA 0.256 nan 4.420 nan 0.000 0.270 474 P C -2.493 174.812 177.300 0.008 0.000 1.223 474 P CA -1.306 61.800 63.100 0.009 0.000 0.785 474 P CB -0.326 31.374 31.700 0.001 0.000 0.923 475 P HA 0.314 nan 4.420 nan 0.000 0.274 475 P C -0.118 177.171 177.300 -0.020 0.000 1.231 475 P CA 0.290 63.374 63.100 -0.026 0.000 0.790 475 P CB 0.848 32.511 31.700 -0.061 0.000 0.951 476 G N 0.997 109.786 108.800 -0.020 0.000 2.554 476 G HA2 0.400 4.373 3.960 0.023 0.000 0.306 476 G HA3 0.400 4.373 3.960 0.023 0.000 0.306 476 G C -2.575 172.316 174.900 -0.015 0.000 1.320 476 G CA -0.746 44.345 45.100 -0.014 0.000 0.800 476 G HN 0.096 nan 8.290 nan 0.000 0.481 477 P HA 0.107 nan 4.420 nan 0.000 0.218 477 P C 0.153 177.450 177.300 -0.005 0.000 1.149 477 P CA 1.155 64.247 63.100 -0.012 0.000 0.817 477 P CB 0.222 31.917 31.700 -0.008 0.000 0.785 478 K N -1.457 118.947 120.400 0.006 0.000 2.527 478 K HA 0.332 4.665 4.320 0.023 0.000 0.260 478 K C -0.249 176.368 176.600 0.028 0.000 0.937 478 K CA -0.920 55.378 56.287 0.018 0.000 0.826 478 K CB 2.137 34.650 32.500 0.020 0.000 1.359 478 K HN -0.338 nan 8.250 nan 0.000 0.434 479 R N -0.499 120.025 120.500 0.041 0.000 3.741 479 R HA -0.158 4.196 4.340 0.023 0.000 0.292 479 R C 0.039 176.370 176.300 0.051 0.000 1.176 479 R CA 1.038 57.168 56.100 0.051 0.000 0.794 479 R CB -2.180 28.150 30.300 0.050 0.000 1.213 479 R HN 0.948 nan 8.270 nan 0.000 0.494 480 G N -0.729 108.096 108.800 0.042 0.000 2.462 480 G HA2 0.596 4.569 3.960 0.023 0.000 0.319 480 G HA3 0.596 4.569 3.960 0.023 0.000 0.319 480 G C 0.364 175.297 174.900 0.054 0.000 1.171 480 G CA 0.071 45.192 45.100 0.036 0.000 0.920 480 G HN 0.247 nan 8.290 nan 0.000 0.499 481 G N -1.072 107.761 108.800 0.054 0.000 2.554 481 G HA2 0.363 4.337 3.960 0.023 0.000 0.238 481 G HA3 0.363 4.337 3.960 0.023 0.000 0.238 481 G C -0.528 174.421 174.900 0.081 0.000 1.259 481 G CA -0.452 44.698 45.100 0.084 0.000 0.843 481 G HN 0.472 nan 8.290 nan 0.000 0.582 482 F N 0.748 120.715 119.950 0.028 0.000 2.467 482 F HA 0.383 4.924 4.527 0.023 0.000 0.362 482 F C 0.548 176.365 175.800 0.028 0.000 1.090 482 F CA -0.208 57.805 58.000 0.022 0.000 1.202 482 F CB 0.818 39.834 39.000 0.027 0.000 1.113 482 F HN 0.439 nan 8.300 nan 0.000 0.541 483 E N 4.116 123.958 120.200 -0.596 0.000 2.256 483 E HA 0.285 4.649 4.350 0.023 0.000 0.268 483 E C -1.063 175.190 176.600 -0.578 0.000 0.877 483 E CA -0.780 55.414 56.400 -0.344 0.000 0.757 483 E CB 1.629 31.216 29.700 -0.188 0.000 1.183 483 E HN 0.611 nan 8.360 nan 0.000 0.418 484 S N 2.535 118.131 115.700 -0.173 0.000 2.562 484 S HA -0.019 4.464 4.470 0.023 0.000 0.281 484 S C -0.508 174.078 174.600 -0.022 0.000 1.333 484 S CA -0.251 57.944 58.200 -0.008 0.000 1.052 484 S CB 0.082 63.402 63.200 0.200 0.000 0.884 484 S HN 0.450 nan 8.310 nan 0.000 0.506 485 Y N 2.814 123.053 120.300 -0.102 0.000 2.717 485 Y HA -0.028 4.536 4.550 0.023 0.000 0.330 485 Y C 0.884 176.767 175.900 -0.029 0.000 1.217 485 Y CA 0.195 58.246 58.100 -0.082 0.000 1.506 485 Y CB 0.171 38.581 38.460 -0.083 0.000 1.268 485 Y HN 0.583 nan 8.280 nan 0.000 0.561 486 Q N 5.409 124.844 119.800 -0.609 0.000 3.223 486 Q HA 0.001 4.354 4.340 0.023 0.000 0.299 486 Q C -0.205 175.486 176.000 -0.515 0.000 1.385 486 Q CA -0.001 55.542 55.803 -0.434 0.000 0.942 486 Q CB -0.229 28.327 28.738 -0.303 0.000 1.748 486 Q HN 0.646 nan 8.270 nan 0.000 0.523 487 E N 1.647 121.644 120.200 -0.339 0.000 2.384 487 E HA -0.013 4.351 4.350 0.023 0.000 0.266 487 E C -0.274 176.294 176.600 -0.053 0.000 1.012 487 E CA -0.362 55.968 56.400 -0.117 0.000 0.901 487 E CB 0.678 30.453 29.700 0.126 0.000 0.967 487 E HN 0.263 nan 8.360 nan 0.000 0.435 488 R N 3.076 123.566 120.500 -0.016 0.000 2.489 488 R HA 0.162 4.516 4.340 0.023 0.000 0.287 488 R C -1.221 175.101 176.300 0.037 0.000 1.053 488 R CA -0.286 55.817 56.100 0.006 0.000 1.036 488 R CB 0.600 30.912 30.300 0.020 0.000 0.966 488 R HN 0.316 nan 8.270 nan 0.000 0.432 489 V N 4.560 124.489 119.914 0.025 0.000 2.495 489 V HA 0.403 4.537 4.120 0.023 0.000 0.298 489 V C -0.423 175.684 176.094 0.022 0.000 1.031 489 V CA -0.543 61.776 62.300 0.032 0.000 0.871 489 V CB 1.561 33.399 31.823 0.027 0.000 0.988 489 V HN 0.807 nan 8.190 nan 0.000 0.432 490 E N 2.891 123.106 120.200 0.024 0.000 2.307 490 E HA 0.644 5.008 4.350 0.023 0.000 0.280 490 E C -0.537 176.068 176.600 0.009 0.000 0.900 490 E CA 0.090 56.498 56.400 0.014 0.000 0.790 490 E CB 2.063 31.771 29.700 0.014 0.000 1.261 490 E HN 0.986 nan 8.360 nan 0.000 0.405 491 G N 3.152 111.952 108.800 0.001 0.000 2.341 491 G HA2 0.072 4.046 3.960 0.023 0.000 0.293 491 G HA3 0.072 4.046 3.960 0.023 0.000 0.293 491 G C -1.363 173.532 174.900 -0.010 0.000 1.298 491 G CA -0.893 44.204 45.100 -0.005 0.000 0.868 491 G HN 0.404 nan 8.290 nan 0.000 0.540 492 N N 0.135 118.826 118.700 -0.015 0.000 2.477 492 N HA 0.403 5.156 4.740 0.023 0.000 0.284 492 N C -0.257 175.240 175.510 -0.022 0.000 1.182 492 N CA -0.450 52.590 53.050 -0.017 0.000 0.949 492 N CB 1.225 39.701 38.487 -0.018 0.000 1.204 492 N HN 0.487 nan 8.380 nan 0.000 0.526 493 K N 0.913 121.299 120.400 -0.023 0.000 2.351 493 K HA 0.176 4.510 4.320 0.023 0.000 0.287 493 K C -0.368 176.210 176.600 -0.036 0.000 1.068 493 K CA -0.103 56.166 56.287 -0.029 0.000 0.998 493 K CB -0.145 32.339 32.500 -0.027 0.000 0.968 493 K HN 0.336 nan 8.250 nan 0.000 0.464 494 V N 0.338 120.225 119.914 -0.045 0.000 2.876 494 V HA 0.480 4.613 4.120 0.023 0.000 0.312 494 V C -0.495 175.558 176.094 -0.068 0.000 1.085 494 V CA -1.376 60.894 62.300 -0.051 0.000 0.945 494 V CB 2.004 33.798 31.823 -0.048 0.000 1.017 494 V HN 0.604 nan 8.190 nan 0.000 0.428 495 R N 2.307 122.763 120.500 -0.074 0.000 2.391 495 R HA 0.602 4.955 4.340 0.023 0.000 0.310 495 R C -0.472 175.778 176.300 -0.084 0.000 1.174 495 R CA -0.102 55.941 56.100 -0.096 0.000 1.118 495 R CB 0.707 30.936 30.300 -0.118 0.000 1.134 495 R HN 0.929 nan 8.270 nan 0.000 0.524 496 E N 2.116 122.263 120.200 -0.089 0.000 2.321 496 E HA 0.203 4.567 4.350 0.023 0.000 0.281 496 E C -1.260 175.273 176.600 -0.112 0.000 0.910 496 E CA -1.015 55.337 56.400 -0.080 0.000 0.770 496 E CB 1.476 31.137 29.700 -0.065 0.000 1.225 496 E HN 0.132 nan 8.360 nan 0.000 0.417 497 R N 1.864 122.305 120.500 -0.098 0.000 2.389 497 R HA 0.175 4.529 4.340 0.023 0.000 0.295 497 R C -0.450 175.751 176.300 -0.164 0.000 1.075 497 R CA 0.159 56.169 56.100 -0.150 0.000 1.005 497 R CB 1.026 31.297 30.300 -0.050 0.000 0.987 497 R HN 0.402 nan 8.270 nan 0.000 0.452 498 S N 5.237 120.748 115.700 -0.316 0.000 2.546 498 S HA 0.092 4.575 4.470 0.023 0.000 0.290 498 S C -1.485 173.113 174.600 -0.002 0.000 1.290 498 S CA -1.153 56.947 58.200 -0.168 0.000 1.069 498 S CB 0.625 63.695 63.200 -0.216 0.000 0.846 498 S HN 0.553 nan 8.310 nan 0.000 0.495 499 P HA -0.084 nan 4.420 nan 0.000 0.222 499 P C 1.523 178.883 177.300 0.100 0.000 1.147 499 P CA 1.143 64.276 63.100 0.054 0.000 0.790 499 P CB -0.221 31.497 31.700 0.030 0.000 0.780 500 S N -1.834 113.965 115.700 0.164 0.000 2.469 500 S HA -0.133 4.351 4.470 0.023 0.000 0.238 500 S C 1.493 176.249 174.600 0.260 0.000 0.998 500 S CA 0.897 59.222 58.200 0.210 0.000 0.957 500 S CB -1.411 61.949 63.200 0.266 0.000 0.764 500 S HN -0.023 nan 8.310 nan 0.000 0.514 501 F N 2.163 122.108 119.950 -0.009 0.000 2.789 501 F HA 0.387 4.928 4.527 0.023 0.000 0.300 501 F C 1.964 177.710 175.800 -0.090 0.000 1.132 501 F CA -0.665 57.328 58.000 -0.011 0.000 1.404 501 F CB -0.506 38.517 39.000 0.039 0.000 1.114 501 F HN 0.351 nan 8.300 nan 0.000 0.584 502 G N 0.531 109.331 108.800 -0.000 0.000 3.581 502 G HA2 0.116 4.090 3.960 0.023 0.000 0.255 502 G HA3 0.116 4.090 3.960 0.023 0.000 0.255 502 G C -0.098 174.380 174.900 -0.702 0.000 1.121 502 G CA 0.098 45.014 45.100 -0.306 0.000 1.739 502 G HN 0.035 nan 8.290 nan 0.000 0.646 503 E N 0.118 119.834 120.200 -0.806 0.000 2.275 503 E HA 0.353 4.716 4.350 0.023 0.000 0.270 503 E C -0.875 175.313 176.600 -0.687 0.000 0.882 503 E CA -0.751 55.233 56.400 -0.694 0.000 0.758 503 E CB 1.630 31.184 29.700 -0.244 0.000 1.195 503 E HN 0.178 nan 8.360 nan 0.000 0.419 504 Y N 2.425 122.526 120.300 -0.331 0.000 2.432 504 Y HA 0.200 4.764 4.550 0.023 0.000 0.252 504 Y C 0.734 176.365 175.900 -0.447 0.000 1.097 504 Y CA -0.097 57.701 58.100 -0.504 0.000 1.250 504 Y CB 0.403 38.375 38.460 -0.814 0.000 1.245 504 Y HN 0.434 nan 8.280 nan 0.000 0.522 505 Y N -1.466 118.920 120.300 0.142 0.000 2.467 505 Y HA 0.099 4.662 4.550 0.023 0.000 0.259 505 Y C 2.426 178.388 175.900 0.103 0.000 1.084 505 Y CA 0.251 58.428 58.100 0.129 0.000 1.275 505 Y CB -0.339 38.201 38.460 0.134 0.000 1.208 505 Y HN 0.031 nan 8.280 nan 0.000 0.511 506 S N -0.517 115.322 115.700 0.231 0.000 2.402 506 S HA -0.196 4.288 4.470 0.023 0.000 0.229 506 S C 1.467 176.139 174.600 0.119 0.000 1.021 506 S CA 1.602 59.912 58.200 0.184 0.000 0.974 506 S CB -0.489 62.816 63.200 0.175 0.000 0.800 506 S HN 0.442 nan 8.310 nan 0.000 0.484 507 H N 2.686 121.677 119.070 -0.131 0.000 2.363 507 H HA 0.191 4.761 4.556 0.023 0.000 0.301 507 H C -0.613 174.532 175.328 -0.306 0.000 1.074 507 H CA 1.357 57.180 56.048 -0.375 0.000 1.354 507 H CB -1.755 27.515 29.762 -0.820 0.000 1.397 507 H HN 0.397 nan 8.280 nan 0.000 0.516 508 P HA -0.188 nan 4.420 nan 0.000 0.216 508 P C 1.506 178.995 177.300 0.315 0.000 1.153 508 P CA 1.796 65.056 63.100 0.267 0.000 0.858 508 P CB 0.078 31.954 31.700 0.292 0.000 0.789 509 R N -0.397 120.237 120.500 0.222 0.000 2.075 509 R HA -0.116 4.237 4.340 0.023 0.000 0.232 509 R C 2.165 178.597 176.300 0.219 0.000 1.126 509 R CA 1.108 57.343 56.100 0.226 0.000 0.963 509 R CB -1.080 29.313 30.300 0.155 0.000 0.858 509 R HN 0.064 nan 8.270 nan 0.000 0.435 510 L N 0.512 121.806 121.223 0.119 0.000 2.042 510 L HA -0.142 4.212 4.340 0.023 0.000 0.210 510 L C 1.994 178.926 176.870 0.104 0.000 1.076 510 L CA 1.767 56.640 54.840 0.055 0.000 0.749 510 L CB -0.677 41.334 42.059 -0.079 0.000 0.893 510 L HN 0.259 nan 8.230 nan 0.000 0.432 511 F N -0.824 119.155 119.950 0.047 0.000 2.102 511 F HA -0.269 4.272 4.527 0.023 0.000 0.298 511 F C 2.323 178.119 175.800 -0.006 0.000 1.105 511 F CA 2.071 60.070 58.000 -0.003 0.000 1.239 511 F CB -0.594 38.424 39.000 0.029 0.000 0.991 511 F HN 0.378 nan 8.300 nan 0.000 0.474 512 W N 1.355 122.624 121.300 -0.053 0.000 2.335 512 W HA -0.249 4.424 4.660 0.023 0.000 0.311 512 W C 1.657 178.046 176.519 -0.217 0.000 1.213 512 W CA 1.757 59.020 57.345 -0.137 0.000 1.274 512 W CB -0.681 28.796 29.460 0.028 0.000 1.148 512 W HN 0.093 nan 8.180 nan 0.000 0.498 513 L N 1.058 122.192 121.223 -0.147 0.000 2.376 513 L HA -0.132 4.221 4.340 0.023 0.000 0.219 513 L C 2.368 179.047 176.870 -0.319 0.000 1.133 513 L CA 0.971 55.661 54.840 -0.249 0.000 0.816 513 L CB -0.591 41.451 42.059 -0.030 0.000 0.933 513 L HN -0.154 nan 8.230 nan 0.000 0.449 514 S N -1.429 114.066 115.700 -0.342 0.000 2.562 514 S HA 0.040 4.524 4.470 0.023 0.000 0.221 514 S C 0.737 175.064 174.600 -0.456 0.000 0.975 514 S CA 0.136 58.136 58.200 -0.333 0.000 0.918 514 S CB 0.004 63.045 63.200 -0.264 0.000 0.772 514 S HN 0.282 nan 8.310 nan 0.000 0.531 515 Q N 2.327 121.747 119.800 -0.633 0.000 2.259 515 Q HA 0.271 4.624 4.340 0.023 0.000 0.246 515 Q C 0.590 176.209 176.000 -0.636 0.000 0.920 515 Q CA -0.083 55.303 55.803 -0.694 0.000 0.895 515 Q CB 0.549 28.790 28.738 -0.830 0.000 1.220 515 Q HN 0.440 nan 8.270 nan 0.000 0.439 516 T N -1.326 112.819 114.554 -0.683 0.000 2.802 516 T HA 0.122 4.486 4.350 0.023 0.000 0.305 516 T C -1.702 172.568 174.700 -0.716 0.000 1.053 516 T CA -1.234 60.435 62.100 -0.717 0.000 1.058 516 T CB 0.301 68.516 68.868 -1.089 0.000 0.988 516 T HN 0.241 nan 8.240 nan 0.000 0.539 517 P HA -0.077 nan 4.420 nan 0.000 0.216 517 P C 1.424 178.529 177.300 -0.325 0.000 1.153 517 P CA 1.228 64.130 63.100 -0.329 0.000 0.858 517 P CB -0.272 31.347 31.700 -0.135 0.000 0.789 518 F N -0.082 119.667 119.950 -0.334 0.000 2.293 518 F HA -0.002 4.539 4.527 0.023 0.000 0.300 518 F C 1.779 177.202 175.800 -0.627 0.000 1.086 518 F CA 0.904 58.636 58.000 -0.446 0.000 1.375 518 F CB -1.585 37.131 39.000 -0.473 0.000 1.045 518 F HN -0.073 nan 8.300 nan 0.000 0.516 519 E N 0.538 120.146 120.200 -0.987 0.000 2.106 519 E HA -0.201 4.163 4.350 0.023 0.000 0.192 519 E C 2.224 178.615 176.600 -0.347 0.000 0.984 519 E CA 1.362 57.397 56.400 -0.607 0.000 0.806 519 E CB -0.273 29.023 29.700 -0.675 0.000 0.750 519 E HN 0.630 nan 8.360 nan 0.000 0.458 520 Q N 0.372 119.894 119.800 -0.464 0.000 2.050 520 Q HA -0.189 4.164 4.340 0.023 0.000 0.202 520 Q C 2.292 178.313 176.000 0.034 0.000 0.980 520 Q CA 1.286 56.851 55.803 -0.396 0.000 0.840 520 Q CB -0.171 28.082 28.738 -0.808 0.000 0.898 520 Q HN 0.114 nan 8.270 nan 0.000 0.424 521 R N 0.180 120.675 120.500 -0.009 0.000 2.091 521 R HA -0.193 4.161 4.340 0.023 0.000 0.238 521 R C 1.819 178.292 176.300 0.289 0.000 1.136 521 R CA 1.818 58.007 56.100 0.149 0.000 0.959 521 R CB -0.241 30.127 30.300 0.113 0.000 0.856 521 R HN 0.467 nan 8.270 nan 0.000 0.437 522 H N -0.425 118.730 119.070 0.141 0.000 2.387 522 H HA -0.096 4.473 4.556 0.023 0.000 0.299 522 H C 2.163 177.599 175.328 0.180 0.000 1.090 522 H CA 1.349 57.495 56.048 0.164 0.000 1.332 522 H CB -0.003 29.859 29.762 0.167 0.000 1.386 522 H HN 0.255 nan 8.280 nan 0.000 0.516 523 I N 0.114 120.892 120.570 0.348 0.000 2.202 523 I HA -0.246 3.938 4.170 0.023 0.000 0.242 523 I C 2.353 178.753 176.117 0.470 0.000 1.091 523 I CA 0.712 62.250 61.300 0.397 0.000 1.368 523 I CB -0.191 38.136 38.000 0.546 0.000 1.058 523 I HN 0.073 nan 8.210 nan 0.000 0.410 524 V N 1.015 121.205 119.914 0.461 0.000 2.282 524 V HA -0.346 3.788 4.120 0.023 0.000 0.249 524 V C 2.056 178.324 176.094 0.289 0.000 1.057 524 V CA 2.186 64.703 62.300 0.361 0.000 1.032 524 V CB -0.683 31.310 31.823 0.284 0.000 0.645 524 V HN 0.425 nan 8.190 nan 0.000 0.447 525 D N 0.184 120.737 120.400 0.254 0.000 2.178 525 D HA -0.076 4.577 4.640 0.023 0.000 0.202 525 D C 2.147 178.521 176.300 0.122 0.000 0.974 525 D CA 1.455 55.569 54.000 0.190 0.000 0.841 525 D CB -0.509 40.408 40.800 0.195 0.000 0.953 525 D HN 0.485 nan 8.370 nan 0.000 0.478 526 G N 0.015 108.868 108.800 0.088 0.000 2.414 526 G HA2 -0.232 3.741 3.960 0.023 0.000 0.215 526 G HA3 -0.232 3.741 3.960 0.023 0.000 0.215 526 G C 1.437 176.336 174.900 -0.002 0.000 1.188 526 G CA 0.122 45.186 45.100 -0.061 0.000 0.783 526 G HN 0.155 nan 8.290 nan 0.000 0.537 527 F N 1.982 121.972 119.950 0.066 0.000 2.120 527 F HA -0.132 4.409 4.527 0.023 0.000 0.300 527 F C 3.175 178.894 175.800 -0.135 0.000 1.095 527 F CA 1.728 59.699 58.000 -0.049 0.000 1.249 527 F CB -0.418 38.562 39.000 -0.034 0.000 0.995 527 F HN 0.091 nan 8.300 nan 0.000 0.480 528 S N -0.281 115.514 115.700 0.159 0.000 2.355 528 S HA -0.201 4.283 4.470 0.023 0.000 0.222 528 S C 1.870 176.487 174.600 0.029 0.000 1.031 528 S CA 1.224 59.464 58.200 0.067 0.000 0.993 528 S CB -0.815 62.446 63.200 0.102 0.000 0.859 528 S HN 0.411 nan 8.310 nan 0.000 0.453 529 F N 2.600 122.505 119.950 -0.074 0.000 2.134 529 F HA -0.090 4.451 4.527 0.023 0.000 0.299 529 F C 2.325 178.061 175.800 -0.107 0.000 1.097 529 F CA 1.404 59.350 58.000 -0.091 0.000 1.264 529 F CB -0.223 38.664 39.000 -0.189 0.000 1.001 529 F HN 0.117 nan 8.300 nan 0.000 0.479 530 E N 0.655 120.792 120.200 -0.104 0.000 2.051 530 E HA -0.198 4.165 4.350 0.023 0.000 0.192 530 E C 2.379 178.761 176.600 -0.362 0.000 0.991 530 E CA 1.607 57.919 56.400 -0.145 0.000 0.799 530 E CB -0.557 29.219 29.700 0.127 0.000 0.748 530 E HN 0.473 nan 8.360 nan 0.000 0.449 531 L N 1.447 122.378 121.223 -0.487 0.000 2.191 531 L HA -0.143 4.210 4.340 0.023 0.000 0.212 531 L C 2.731 179.430 176.870 -0.284 0.000 1.103 531 L CA 1.166 55.715 54.840 -0.485 0.000 0.769 531 L CB -0.522 41.272 42.059 -0.442 0.000 0.908 531 L HN 0.152 nan 8.230 nan 0.000 0.438 532 S N -0.747 114.797 115.700 -0.259 0.000 2.447 532 S HA -0.106 4.378 4.470 0.023 0.000 0.233 532 S C 1.775 176.252 174.600 -0.205 0.000 1.006 532 S CA 0.585 58.662 58.200 -0.205 0.000 0.957 532 S CB -0.087 62.997 63.200 -0.192 0.000 0.773 532 S HN 0.241 nan 8.310 nan 0.000 0.507 533 K N 1.286 121.532 120.400 -0.258 0.000 2.444 533 K HA 0.346 4.680 4.320 0.023 0.000 0.193 533 K C -0.079 176.505 176.600 -0.026 0.000 1.024 533 K CA -0.053 56.146 56.287 -0.146 0.000 1.077 533 K CB -0.171 32.232 32.500 -0.162 0.000 0.833 533 K HN 0.330 nan 8.250 nan 0.000 0.517 534 V N 1.861 121.740 119.914 -0.059 0.000 2.432 534 V HA 0.024 4.158 4.120 0.023 0.000 0.271 534 V C 1.642 177.720 176.094 -0.026 0.000 1.046 534 V CA -0.148 62.147 62.300 -0.008 0.000 0.945 534 V CB 1.527 33.317 31.823 -0.056 0.000 0.992 534 V HN -0.141 nan 8.190 nan 0.000 0.471 535 V N 5.068 124.989 119.914 0.012 0.000 2.591 535 V HA -0.007 4.127 4.120 0.023 0.000 0.249 535 V C 1.277 177.355 176.094 -0.026 0.000 1.053 535 V CA 1.157 63.462 62.300 0.008 0.000 1.068 535 V CB -0.464 31.384 31.823 0.042 0.000 0.689 535 V HN 0.748 nan 8.190 nan 0.000 0.462 536 R N 0.867 121.323 120.500 -0.074 0.000 2.220 536 R HA 0.196 4.550 4.340 0.023 0.000 0.340 536 R C -1.726 174.451 176.300 -0.205 0.000 1.076 536 R CA -1.469 54.550 56.100 -0.135 0.000 0.920 536 R CB 0.645 30.789 30.300 -0.260 0.000 1.062 536 R HN 0.230 nan 8.270 nan 0.000 0.469 537 P HA -0.229 nan 4.420 nan 0.000 0.216 537 P C 0.772 178.033 177.300 -0.066 0.000 1.150 537 P CA 1.239 64.305 63.100 -0.056 0.000 0.843 537 P CB -0.005 31.701 31.700 0.011 0.000 0.787 538 Y N -1.335 118.966 120.300 0.000 0.000 2.333 538 Y HA -0.098 4.466 4.550 0.023 0.000 0.290 538 Y C 1.923 177.828 175.900 0.009 0.000 1.144 538 Y CA 0.758 58.859 58.100 0.002 0.000 1.228 538 Y CB -1.731 36.731 38.460 0.003 0.000 0.985 538 Y HN -0.093 nan 8.280 nan 0.000 0.542 539 I N 0.892 121.047 120.570 -0.692 0.000 2.252 539 I HA -0.248 3.935 4.170 0.023 0.000 0.245 539 I C 2.513 178.543 176.117 -0.145 0.000 1.102 539 I CA 1.395 62.471 61.300 -0.373 0.000 1.385 539 I CB -0.402 37.368 38.000 -0.384 0.000 1.064 539 I HN 0.194 nan 8.210 nan 0.000 0.414 540 R N 0.808 121.213 120.500 -0.159 0.000 2.091 540 R HA -0.199 4.155 4.340 0.023 0.000 0.238 540 R C 2.119 178.368 176.300 -0.084 0.000 1.136 540 R CA 1.530 57.549 56.100 -0.135 0.000 0.959 540 R CB -0.420 29.799 30.300 -0.135 0.000 0.856 540 R HN 0.469 nan 8.270 nan 0.000 0.437 541 E N 0.445 120.620 120.200 -0.042 0.000 2.051 541 E HA -0.159 4.205 4.350 0.023 0.000 0.192 541 E C 2.150 178.755 176.600 0.009 0.000 0.991 541 E CA 1.020 57.416 56.400 -0.007 0.000 0.799 541 E CB -0.019 29.703 29.700 0.036 0.000 0.748 541 E HN 0.267 nan 8.360 nan 0.000 0.449 542 R N 0.253 120.775 120.500 0.036 0.000 2.096 542 R HA -0.114 4.240 4.340 0.023 0.000 0.235 542 R C 2.362 178.688 176.300 0.043 0.000 1.127 542 R CA 1.070 57.205 56.100 0.058 0.000 0.968 542 R CB -0.205 30.151 30.300 0.094 0.000 0.861 542 R HN 0.065 nan 8.270 nan 0.000 0.440 543 V N 0.039 119.969 119.914 0.027 0.000 2.379 543 V HA -0.168 3.965 4.120 0.023 0.000 0.245 543 V C 2.233 178.304 176.094 -0.040 0.000 1.044 543 V CA 1.301 63.627 62.300 0.042 0.000 1.036 543 V CB -0.170 31.687 31.823 0.057 0.000 0.664 543 V HN 0.121 nan 8.190 nan 0.000 0.453 544 V N 0.613 120.480 119.914 -0.079 0.000 2.343 544 V HA -0.316 3.818 4.120 0.023 0.000 0.247 544 V C 2.324 178.373 176.094 -0.076 0.000 1.051 544 V CA 2.525 64.754 62.300 -0.117 0.000 1.036 544 V CB -0.613 31.149 31.823 -0.101 0.000 0.654 544 V HN 0.672 nan 8.190 nan 0.000 0.451 545 D N -0.958 119.431 120.400 -0.018 0.000 2.123 545 D HA -0.201 4.453 4.640 0.023 0.000 0.196 545 D C 2.256 178.621 176.300 0.109 0.000 0.992 545 D CA 1.161 55.181 54.000 0.033 0.000 0.833 545 D CB -0.008 40.831 40.800 0.065 0.000 0.954 545 D HN 0.320 nan 8.370 nan 0.000 0.455 546 Q N -0.128 119.716 119.800 0.073 0.000 2.084 546 Q HA -0.087 4.266 4.340 0.023 0.000 0.202 546 Q C 2.567 178.587 176.000 0.032 0.000 0.978 546 Q CA 0.691 56.544 55.803 0.083 0.000 0.844 546 Q CB -0.396 28.409 28.738 0.112 0.000 0.898 546 Q HN 0.457 nan 8.270 nan 0.000 0.426 547 L N 0.080 121.257 121.223 -0.077 0.000 2.127 547 L HA -0.154 4.200 4.340 0.023 0.000 0.211 547 L C 2.277 179.030 176.870 -0.195 0.000 1.089 547 L CA 1.019 55.736 54.840 -0.205 0.000 0.757 547 L CB -0.614 41.222 42.059 -0.372 0.000 0.899 547 L HN 0.107 nan 8.230 nan 0.000 0.434 548 A N -0.963 121.770 122.820 -0.144 0.000 2.119 548 A HA -0.168 4.165 4.320 0.023 0.000 0.217 548 A C 1.718 179.143 177.584 -0.266 0.000 1.153 548 A CA 0.960 52.883 52.037 -0.190 0.000 0.692 548 A CB -0.659 18.240 19.000 -0.169 0.000 0.799 548 A HN 0.428 nan 8.150 nan 0.000 0.458 549 H N -1.093 117.774 119.070 -0.339 0.000 2.555 549 H HA 0.235 4.804 4.556 0.023 0.000 0.269 549 H C 1.512 176.575 175.328 -0.442 0.000 0.988 549 H CA 1.057 56.778 56.048 -0.546 0.000 1.178 549 H CB 0.051 29.075 29.762 -1.230 0.000 1.373 549 H HN 0.506 nan 8.280 nan 0.000 0.588 550 I N -1.320 119.154 120.570 -0.161 0.000 2.899 550 I HA 0.095 4.278 4.170 0.023 0.000 0.257 550 I C -0.171 175.870 176.117 -0.126 0.000 1.115 550 I CA 0.372 61.633 61.300 -0.064 0.000 1.451 550 I CB 0.749 38.739 38.000 -0.016 0.000 1.251 550 I HN 0.088 nan 8.210 nan 0.000 0.456 551 D N -0.493 119.763 120.400 -0.239 0.000 2.871 551 D HA 0.181 4.835 4.640 0.023 0.000 0.209 551 D C 0.214 176.352 176.300 -0.271 0.000 1.292 551 D CA -0.342 53.499 54.000 -0.265 0.000 0.869 551 D CB 1.356 41.868 40.800 -0.481 0.000 1.663 551 D HN -0.074 nan 8.370 nan 0.000 0.557 552 L N 2.489 123.615 121.223 -0.162 0.000 2.093 552 L HA -0.081 4.272 4.340 0.023 0.000 0.208 552 L C 1.562 178.357 176.870 -0.125 0.000 1.085 552 L CA 1.508 56.266 54.840 -0.137 0.000 0.755 552 L CB -0.254 41.752 42.059 -0.087 0.000 0.904 552 L HN 0.601 nan 8.230 nan 0.000 0.435 553 T N 0.298 114.804 114.554 -0.079 0.000 2.708 553 T HA -0.226 4.138 4.350 0.023 0.000 0.266 553 T C 1.918 176.561 174.700 -0.096 0.000 1.037 553 T CA 1.131 63.227 62.100 -0.007 0.000 1.146 553 T CB -0.262 68.693 68.868 0.144 0.000 0.865 553 T HN 0.261 nan 8.240 nan 0.000 0.435 554 L N 0.708 121.708 121.223 -0.373 0.000 2.013 554 L HA -0.208 4.146 4.340 0.023 0.000 0.212 554 L C 2.753 179.396 176.870 -0.379 0.000 1.073 554 L CA 2.003 56.452 54.840 -0.652 0.000 0.753 554 L CB -0.686 40.620 42.059 -1.256 0.000 0.890 554 L HN 0.307 nan 8.230 nan 0.000 0.432 555 A N -0.962 121.658 122.820 -0.334 0.000 1.898 555 A HA -0.253 4.081 4.320 0.023 0.000 0.216 555 A C 2.063 179.550 177.584 -0.162 0.000 1.181 555 A CA 1.541 53.426 52.037 -0.254 0.000 0.620 555 A CB -0.485 18.383 19.000 -0.220 0.000 0.819 555 A HN 0.608 nan 8.150 nan 0.000 0.442 556 Q N -0.676 119.051 119.800 -0.122 0.000 2.050 556 Q HA -0.130 4.223 4.340 0.023 0.000 0.202 556 Q C 2.442 178.415 176.000 -0.046 0.000 0.980 556 Q CA 1.514 57.275 55.803 -0.070 0.000 0.840 556 Q CB -0.368 28.344 28.738 -0.044 0.000 0.898 556 Q HN 0.690 nan 8.270 nan 0.000 0.424 557 A N 0.061 122.861 122.820 -0.033 0.000 1.898 557 A HA -0.130 4.203 4.320 0.023 0.000 0.216 557 A C 2.302 179.887 177.584 0.002 0.000 1.181 557 A CA 1.291 53.336 52.037 0.013 0.000 0.620 557 A CB -0.675 18.363 19.000 0.064 0.000 0.819 557 A HN 0.217 nan 8.150 nan 0.000 0.442 558 V N 0.017 119.904 119.914 -0.043 0.000 2.295 558 V HA -0.263 3.871 4.120 0.023 0.000 0.246 558 V C 3.080 179.140 176.094 -0.057 0.000 1.049 558 V CA 1.948 64.217 62.300 -0.051 0.000 1.024 558 V CB -1.377 30.360 31.823 -0.143 0.000 0.648 558 V HN 0.622 nan 8.190 nan 0.000 0.447 559 A N 0.038 122.813 122.820 -0.075 0.000 1.873 559 A HA -0.359 3.975 4.320 0.023 0.000 0.218 559 A C 2.321 179.886 177.584 -0.032 0.000 1.193 559 A CA 2.657 54.659 52.037 -0.059 0.000 0.629 559 A CB -0.643 18.320 19.000 -0.061 0.000 0.826 559 A HN 0.556 nan 8.150 nan 0.000 0.447 560 K N -0.541 119.847 120.400 -0.019 0.000 2.044 560 K HA -0.231 4.103 4.320 0.023 0.000 0.210 560 K C 1.702 178.307 176.600 0.007 0.000 1.049 560 K CA 1.854 58.141 56.287 -0.001 0.000 0.927 560 K CB -0.251 32.255 32.500 0.011 0.000 0.713 560 K HN 0.460 nan 8.250 nan 0.000 0.443 561 N N 0.578 119.286 118.700 0.014 0.000 2.348 561 N HA -0.136 4.617 4.740 0.023 0.000 0.185 561 N C 1.244 176.758 175.510 0.006 0.000 1.019 561 N CA 1.004 54.069 53.050 0.025 0.000 0.880 561 N CB -0.003 38.511 38.487 0.046 0.000 0.965 561 N HN 0.296 nan 8.380 nan 0.000 0.437 562 L N -0.808 120.406 121.223 -0.015 0.000 2.628 562 L HA 0.259 4.613 4.340 0.023 0.000 0.229 562 L C 0.963 177.820 176.870 -0.021 0.000 1.137 562 L CA -0.115 54.707 54.840 -0.029 0.000 0.909 562 L CB -0.140 41.885 42.059 -0.056 0.000 1.137 562 L HN 0.065 nan 8.230 nan 0.000 0.470 563 G N 1.551 110.345 108.800 -0.011 0.000 2.249 563 G HA2 -0.293 3.681 3.960 0.023 0.000 0.273 563 G HA3 -0.293 3.681 3.960 0.023 0.000 0.273 563 G C 0.025 174.917 174.900 -0.012 0.000 1.036 563 G CA 0.189 45.285 45.100 -0.007 0.000 0.824 563 G HN 0.344 nan 8.290 nan 0.000 0.504 564 I N -0.275 120.283 120.570 -0.020 0.000 2.493 564 I HA 0.428 4.612 4.170 0.023 0.000 0.298 564 I C 0.302 176.405 176.117 -0.023 0.000 0.998 564 I CA -0.792 60.495 61.300 -0.023 0.000 1.137 564 I CB 1.899 39.879 38.000 -0.034 0.000 1.310 564 I HN 0.215 nan 8.210 nan 0.000 0.445 565 E N 6.598 126.786 120.200 -0.020 0.000 2.134 565 E HA 0.404 4.767 4.350 0.023 0.000 0.278 565 E C -1.019 175.565 176.600 -0.027 0.000 0.959 565 E CA -0.681 55.706 56.400 -0.021 0.000 0.783 565 E CB 1.071 30.763 29.700 -0.014 0.000 1.095 565 E HN 0.470 nan 8.360 nan 0.000 0.399 566 L N 3.848 125.050 121.223 -0.035 0.000 2.485 566 L HA 0.101 4.454 4.340 0.023 0.000 0.275 566 L C 1.079 177.928 176.870 -0.035 0.000 1.207 566 L CA -0.125 54.690 54.840 -0.042 0.000 0.855 566 L CB 0.271 42.296 42.059 -0.056 0.000 1.114 566 L HN 0.701 nan 8.230 nan 0.000 0.485 567 T N -2.336 112.198 114.554 -0.034 0.000 2.754 567 T HA 0.065 4.429 4.350 0.023 0.000 0.286 567 T C 0.781 175.460 174.700 -0.036 0.000 0.997 567 T CA -0.798 61.285 62.100 -0.029 0.000 0.982 567 T CB 1.008 69.861 68.868 -0.025 0.000 1.027 567 T HN 0.509 nan 8.240 nan 0.000 0.529 568 D N 0.346 120.728 120.400 -0.030 0.000 2.144 568 D HA -0.087 4.567 4.640 0.023 0.000 0.199 568 D C 1.665 177.939 176.300 -0.042 0.000 0.984 568 D CA 1.053 55.033 54.000 -0.032 0.000 0.834 568 D CB -0.269 40.516 40.800 -0.024 0.000 0.955 568 D HN 0.567 nan 8.370 nan 0.000 0.465 569 D N 0.817 121.192 120.400 -0.041 0.000 2.123 569 D HA -0.136 4.518 4.640 0.023 0.000 0.196 569 D C 2.141 178.394 176.300 -0.080 0.000 0.992 569 D CA 0.849 54.818 54.000 -0.051 0.000 0.833 569 D CB -0.233 40.544 40.800 -0.038 0.000 0.954 569 D HN 0.342 nan 8.370 nan 0.000 0.455 570 Q N -0.122 119.630 119.800 -0.080 0.000 2.124 570 Q HA -0.051 4.303 4.340 0.023 0.000 0.202 570 Q C 2.427 178.352 176.000 -0.124 0.000 0.977 570 Q CA 0.678 56.412 55.803 -0.116 0.000 0.850 570 Q CB -0.098 28.586 28.738 -0.091 0.000 0.901 570 Q HN 0.308 nan 8.270 nan 0.000 0.429 571 L N 0.678 121.848 121.223 -0.089 0.000 2.275 571 L HA -0.130 4.223 4.340 0.023 0.000 0.215 571 L C 1.431 178.251 176.870 -0.083 0.000 1.119 571 L CA 0.476 55.267 54.840 -0.081 0.000 0.790 571 L CB -0.204 41.821 42.059 -0.056 0.000 0.919 571 L HN 0.216 nan 8.230 nan 0.000 0.443 572 N N -0.129 118.519 118.700 -0.086 0.000 2.280 572 N HA 0.198 4.952 4.740 0.023 0.000 0.192 572 N C 0.502 175.950 175.510 -0.103 0.000 1.109 572 N CA 0.087 53.090 53.050 -0.078 0.000 0.855 572 N CB 0.387 38.838 38.487 -0.059 0.000 0.974 572 N HN 0.227 nan 8.380 nan 0.000 0.482 573 I N 1.392 121.866 120.570 -0.159 0.000 2.741 573 I HA -0.104 4.079 4.170 0.023 0.000 0.288 573 I C 1.144 177.161 176.117 -0.166 0.000 1.192 573 I CA 0.494 61.661 61.300 -0.221 0.000 1.426 573 I CB 0.324 38.062 38.000 -0.435 0.000 1.367 573 I HN -0.122 nan 8.210 nan 0.000 0.563 574 T N 7.946 122.430 114.554 -0.118 0.000 2.901 574 T HA 0.229 4.592 4.350 0.023 0.000 0.301 574 T C -2.125 172.535 174.700 -0.067 0.000 1.012 574 T CA -1.250 60.808 62.100 -0.070 0.000 1.135 574 T CB 0.495 69.343 68.868 -0.034 0.000 0.936 574 T HN 0.312 nan 8.240 nan 0.000 0.539 575 P HA 0.262 nan 4.420 nan 0.000 0.269 575 P C -2.436 174.876 177.300 0.020 0.000 1.209 575 P CA -1.274 61.812 63.100 -0.023 0.000 0.776 575 P CB -0.357 31.341 31.700 -0.003 0.000 0.876 576 P HA 0.217 nan 4.420 nan 0.000 0.272 576 P C -2.492 174.862 177.300 0.089 0.000 1.230 576 P CA -1.222 61.944 63.100 0.109 0.000 0.788 576 P CB -0.883 30.925 31.700 0.180 0.000 0.949 577 P HA 0.078 nan 4.420 nan 0.000 0.270 577 P C -0.185 177.163 177.300 0.080 0.000 1.223 577 P CA 0.124 63.270 63.100 0.077 0.000 0.785 577 P CB 0.214 31.962 31.700 0.080 0.000 0.923 578 D N -0.087 120.352 120.400 0.066 0.000 2.346 578 D HA 0.023 4.677 4.640 0.023 0.000 0.236 578 D C -0.089 176.257 176.300 0.076 0.000 1.259 578 D CA 0.168 54.204 54.000 0.060 0.000 0.898 578 D CB 0.237 41.067 40.800 0.050 0.000 1.178 578 D HN -0.024 nan 8.370 nan 0.000 0.457 579 V N 1.790 121.739 119.914 0.060 0.000 2.304 579 V HA 0.060 4.193 4.120 0.023 0.000 0.269 579 V C 0.157 176.342 176.094 0.152 0.000 1.036 579 V CA -0.481 61.881 62.300 0.103 0.000 0.840 579 V CB -0.317 31.466 31.823 -0.066 0.000 1.036 579 V HN 0.569 nan 8.190 nan 0.000 0.466 580 N N 4.357 123.160 118.700 0.173 0.000 2.716 580 N HA -0.230 4.524 4.740 0.023 0.000 0.250 580 N C 1.141 176.707 175.510 0.093 0.000 1.033 580 N CA 1.129 54.261 53.050 0.136 0.000 0.727 580 N CB -0.850 37.755 38.487 0.196 0.000 0.950 580 N HN 1.277 nan 8.380 nan 0.000 0.541 581 G N -2.635 106.209 108.800 0.074 0.000 2.176 581 G HA2 -0.299 3.674 3.960 0.023 0.000 0.253 581 G HA3 -0.299 3.674 3.960 0.023 0.000 0.253 581 G C -0.201 174.728 174.900 0.048 0.000 0.979 581 G CA 0.088 45.219 45.100 0.052 0.000 0.641 581 G HN 0.316 nan 8.290 nan 0.000 0.530 582 L N 0.659 121.915 121.223 0.055 0.000 2.265 582 L HA 0.582 4.936 4.340 0.023 0.000 0.288 582 L C 1.395 178.281 176.870 0.027 0.000 1.058 582 L CA 0.110 54.974 54.840 0.040 0.000 0.809 582 L CB 1.352 43.438 42.059 0.045 0.000 1.179 582 L HN 0.180 nan 8.230 nan 0.000 0.429 583 K N 2.520 122.932 120.400 0.019 0.000 2.076 583 K HA 0.011 4.344 4.320 0.023 0.000 0.204 583 K C -0.006 176.593 176.600 -0.002 0.000 1.051 583 K CA 1.027 57.323 56.287 0.014 0.000 0.949 583 K CB 0.248 32.756 32.500 0.012 0.000 0.726 583 K HN 0.614 nan 8.250 nan 0.000 0.443 584 K N -0.699 119.693 120.400 -0.013 0.000 2.522 584 K HA 0.340 4.674 4.320 0.023 0.000 0.275 584 K C -1.757 174.831 176.600 -0.020 0.000 1.006 584 K CA -1.050 55.215 56.287 -0.037 0.000 0.890 584 K CB 1.951 34.408 32.500 -0.071 0.000 1.475 584 K HN -0.280 nan 8.250 nan 0.000 0.441 585 D N 1.075 121.458 120.400 -0.028 0.000 2.613 585 D HA 0.226 4.880 4.640 0.023 0.000 0.230 585 D C -2.159 174.135 176.300 -0.010 0.000 1.365 585 D CA -1.962 52.040 54.000 0.004 0.000 0.976 585 D CB 2.081 42.905 40.800 0.041 0.000 1.415 585 D HN 0.310 nan 8.370 nan 0.000 0.589 586 P HA -0.061 nan 4.420 nan 0.000 0.230 586 P C 1.154 178.457 177.300 0.004 0.000 1.158 586 P CA 0.499 63.580 63.100 -0.032 0.000 0.769 586 P CB 0.094 31.781 31.700 -0.021 0.000 0.807 587 S N -0.526 115.209 115.700 0.057 0.000 2.507 587 S HA -0.044 4.440 4.470 0.023 0.000 0.235 587 S C 1.788 176.484 174.600 0.159 0.000 0.988 587 S CA 0.592 58.862 58.200 0.117 0.000 0.944 587 S CB -1.413 61.881 63.200 0.156 0.000 0.762 587 S HN 0.134 nan 8.310 nan 0.000 0.526 588 L N 1.213 122.493 121.223 0.096 0.000 2.492 588 L HA 0.195 4.549 4.340 0.023 0.000 0.223 588 L C 1.496 178.287 176.870 -0.131 0.000 1.132 588 L CA 0.143 55.036 54.840 0.087 0.000 0.850 588 L CB -0.330 41.766 42.059 0.062 0.000 0.966 588 L HN 0.337 nan 8.230 nan 0.000 0.454 589 S N -0.382 115.221 115.700 -0.162 0.000 2.586 589 S HA 0.279 4.763 4.470 0.023 0.000 0.274 589 S C 1.060 175.546 174.600 -0.190 0.000 1.281 589 S CA -0.611 57.433 58.200 -0.260 0.000 1.035 589 S CB 1.363 64.406 63.200 -0.261 0.000 0.962 589 S HN 0.163 nan 8.310 nan 0.000 0.512 590 L N 2.981 124.002 121.223 -0.336 0.000 2.217 590 L HA 0.037 4.391 4.340 0.023 0.000 0.211 590 L C 0.776 177.380 176.870 -0.443 0.000 1.107 590 L CA 1.052 55.587 54.840 -0.507 0.000 0.783 590 L CB -0.231 41.177 42.059 -1.085 0.000 0.919 590 L HN 0.756 nan 8.230 nan 0.000 0.442 591 Y N -2.594 117.702 120.300 -0.005 0.000 2.448 591 Y HA 0.329 4.892 4.550 0.023 0.000 0.257 591 Y C 2.095 178.021 175.900 0.044 0.000 1.089 591 Y CA -0.240 57.910 58.100 0.082 0.000 1.245 591 Y CB -0.405 38.135 38.460 0.133 0.000 1.282 591 Y HN -0.065 nan 8.280 nan 0.000 0.529 592 A N 0.381 123.236 122.820 0.058 0.000 1.933 592 A HA -0.046 4.287 4.320 0.023 0.000 0.218 592 A C 0.933 178.555 177.584 0.063 0.000 1.175 592 A CA 1.176 53.219 52.037 0.010 0.000 0.628 592 A CB -0.420 18.527 19.000 -0.089 0.000 0.814 592 A HN 0.167 nan 8.150 nan 0.000 0.444 593 I N 1.779 122.394 120.570 0.075 0.000 2.359 593 I HA 0.229 4.413 4.170 0.023 0.000 0.284 593 I C -2.345 173.848 176.117 0.127 0.000 1.018 593 I CA -2.250 59.102 61.300 0.087 0.000 1.173 593 I CB 0.881 38.920 38.000 0.065 0.000 1.326 593 I HN 0.117 nan 8.210 nan 0.000 0.462 594 P HA 0.033 nan 4.420 nan 0.000 0.266 594 P C -0.519 176.863 177.300 0.137 0.000 1.186 594 P CA 0.269 63.473 63.100 0.174 0.000 0.767 594 P CB 0.681 32.468 31.700 0.145 0.000 0.820 595 D N -0.345 120.144 120.400 0.147 0.000 3.118 595 D HA 0.154 4.808 4.640 0.023 0.000 0.352 595 D C 0.455 176.817 176.300 0.103 0.000 1.498 595 D CA -0.529 53.537 54.000 0.109 0.000 0.759 595 D CB -0.654 40.206 40.800 0.100 0.000 1.251 595 D HN 0.343 nan 8.370 nan 0.000 0.504 596 G N 0.390 109.256 108.800 0.110 0.000 2.508 596 G HA2 0.252 4.226 3.960 0.023 0.000 0.301 596 G HA3 0.252 4.226 3.960 0.023 0.000 0.301 596 G C -0.443 174.496 174.900 0.064 0.000 0.965 596 G CA -0.241 44.920 45.100 0.102 0.000 1.339 596 G HN 0.142 nan 8.290 nan 0.000 0.455 597 D N 1.931 122.362 120.400 0.051 0.000 2.210 597 D HA 0.202 4.856 4.640 0.023 0.000 0.249 597 D C 0.608 176.922 176.300 0.024 0.000 1.078 597 D CA -0.459 53.557 54.000 0.027 0.000 0.875 597 D CB 2.277 43.086 40.800 0.014 0.000 1.175 597 D HN 0.098 nan 8.370 nan 0.000 0.440 598 V N 3.868 123.787 119.914 0.007 0.000 3.621 598 V HA 0.066 4.199 4.120 0.023 0.000 0.263 598 V C 0.897 176.973 176.094 -0.030 0.000 1.272 598 V CA 0.114 62.414 62.300 0.000 0.000 1.080 598 V CB -0.099 31.722 31.823 -0.004 0.000 0.816 598 V HN 0.447 nan 8.190 nan 0.000 0.451 599 K N 0.382 120.756 120.400 -0.043 0.000 2.451 599 K HA 0.325 4.659 4.320 0.023 0.000 0.280 599 K C 1.121 177.678 176.600 -0.072 0.000 1.020 599 K CA 1.086 57.325 56.287 -0.081 0.000 1.008 599 K CB 0.303 32.760 32.500 -0.071 0.000 0.917 599 K HN 0.427 nan 8.250 nan 0.000 0.478 600 G N 3.110 111.834 108.800 -0.127 0.000 2.199 600 G HA2 -0.227 3.746 3.960 0.023 0.000 0.254 600 G HA3 -0.227 3.746 3.960 0.023 0.000 0.254 600 G C 0.187 175.126 174.900 0.065 0.000 0.982 600 G CA -0.097 45.000 45.100 -0.006 0.000 0.632 600 G HN 0.580 nan 8.290 nan 0.000 0.529 601 R N -0.285 120.224 120.500 0.015 0.000 2.652 601 R HA 0.727 5.081 4.340 0.023 0.000 0.272 601 R C 0.045 176.400 176.300 0.091 0.000 1.162 601 R CA 0.049 56.190 56.100 0.069 0.000 1.199 601 R CB 0.818 31.150 30.300 0.055 0.000 1.166 601 R HN 0.704 nan 8.270 nan 0.000 0.597 602 V N -0.033 119.952 119.914 0.117 0.000 3.012 602 V HA 0.458 4.592 4.120 0.023 0.000 0.307 602 V C -1.308 174.852 176.094 0.110 0.000 1.166 602 V CA -0.702 61.685 62.300 0.144 0.000 0.974 602 V CB 2.558 34.495 31.823 0.189 0.000 1.040 602 V HN 0.345 nan 8.190 nan 0.000 0.428 603 V N 5.148 125.123 119.914 0.101 0.000 2.604 603 V HA 0.814 4.947 4.120 0.023 0.000 0.305 603 V C 0.407 176.556 176.094 0.092 0.000 1.043 603 V CA -0.219 62.129 62.300 0.081 0.000 0.888 603 V CB 1.766 33.622 31.823 0.054 0.000 0.995 603 V HN 1.223 nan 8.190 nan 0.000 0.429 604 A N 5.744 128.624 122.820 0.100 0.000 2.362 604 A HA 0.759 5.093 4.320 0.023 0.000 0.276 604 A C -0.461 177.134 177.584 0.018 0.000 1.153 604 A CA -0.128 51.955 52.037 0.077 0.000 0.813 604 A CB -0.056 19.017 19.000 0.122 0.000 1.081 604 A HN 0.762 nan 8.150 nan 0.000 0.507 605 I N 3.558 124.137 120.570 0.015 0.000 2.354 605 I HA 0.209 4.393 4.170 0.023 0.000 0.286 605 I C -0.533 175.594 176.117 0.017 0.000 1.007 605 I CA -0.119 61.191 61.300 0.015 0.000 1.167 605 I CB 1.334 39.356 38.000 0.037 0.000 1.320 605 I HN 0.492 nan 8.210 nan 0.000 0.458 606 L N 7.328 128.546 121.223 -0.009 0.000 2.283 606 L HA 0.438 4.791 4.340 0.023 0.000 0.287 606 L C -0.106 176.867 176.870 0.171 0.000 1.073 606 L CA -0.338 54.553 54.840 0.085 0.000 0.822 606 L CB 0.222 42.178 42.059 -0.170 0.000 1.186 606 L HN 0.444 nan 8.230 nan 0.000 0.436 607 L N 3.556 124.940 121.223 0.269 0.000 2.439 607 L HA 0.411 4.765 4.340 0.023 0.000 0.259 607 L C 0.041 177.095 176.870 0.306 0.000 1.129 607 L CA -0.537 54.407 54.840 0.172 0.000 0.803 607 L CB 1.344 43.403 42.059 0.001 0.000 1.161 607 L HN 0.705 nan 8.230 nan 0.000 0.462 608 N N -2.162 116.620 118.700 0.137 0.000 2.629 608 N HA 0.242 4.996 4.740 0.023 0.000 0.279 608 N C -0.393 175.093 175.510 -0.040 0.000 1.344 608 N CA -0.769 52.400 53.050 0.198 0.000 0.789 608 N CB 0.749 39.343 38.487 0.179 0.000 1.508 608 N HN 0.533 nan 8.380 nan 0.000 0.516 609 D N -1.609 118.803 120.400 0.020 0.000 2.363 609 D HA -0.024 4.629 4.640 0.023 0.000 0.226 609 D C -0.471 175.795 176.300 -0.056 0.000 1.020 609 D CA 0.748 54.702 54.000 -0.077 0.000 0.892 609 D CB -0.108 40.712 40.800 0.033 0.000 0.900 609 D HN 0.640 nan 8.370 nan 0.000 0.531 610 E N 0.573 120.756 120.200 -0.029 0.000 3.544 610 E HA 0.170 4.534 4.350 0.023 0.000 0.264 610 E C -0.979 175.608 176.600 -0.022 0.000 1.225 610 E CA -0.315 56.069 56.400 -0.027 0.000 1.045 610 E CB 1.784 31.477 29.700 -0.011 0.000 1.338 610 E HN -0.036 nan 8.360 nan 0.000 0.395 611 V N 1.376 121.270 119.914 -0.035 0.000 2.811 611 V HA 0.128 4.262 4.120 0.023 0.000 0.302 611 V C 1.136 177.213 176.094 -0.028 0.000 1.063 611 V CA -0.105 62.181 62.300 -0.024 0.000 1.088 611 V CB 0.864 32.667 31.823 -0.033 0.000 0.982 611 V HN 0.367 nan 8.190 nan 0.000 0.485 612 R N 2.659 123.143 120.500 -0.028 0.000 2.413 612 R HA 0.020 4.374 4.340 0.023 0.000 0.333 612 R C 1.611 177.888 176.300 -0.039 0.000 1.074 612 R CA 0.571 56.649 56.100 -0.036 0.000 0.982 612 R CB 0.402 30.673 30.300 -0.048 0.000 0.981 612 R HN 1.041 nan 8.270 nan 0.000 0.452 613 S N 2.639 118.319 115.700 -0.034 0.000 2.419 613 S HA -0.223 4.260 4.470 0.023 0.000 0.235 613 S C 1.947 176.527 174.600 -0.032 0.000 1.019 613 S CA 1.061 59.242 58.200 -0.031 0.000 0.982 613 S CB -0.019 63.165 63.200 -0.027 0.000 0.789 613 S HN 0.633 nan 8.310 nan 0.000 0.490 614 A N 2.083 124.880 122.820 -0.038 0.000 1.930 614 A HA -0.092 4.242 4.320 0.023 0.000 0.217 614 A C 1.990 179.541 177.584 -0.055 0.000 1.175 614 A CA 1.615 53.626 52.037 -0.042 0.000 0.627 614 A CB -0.812 18.161 19.000 -0.045 0.000 0.815 614 A HN 0.462 nan 8.150 nan 0.000 0.443 615 D N -0.225 120.132 120.400 -0.071 0.000 2.097 615 D HA -0.092 4.562 4.640 0.023 0.000 0.197 615 D C 1.922 178.188 176.300 -0.056 0.000 0.984 615 D CA 0.785 54.724 54.000 -0.101 0.000 0.826 615 D CB -0.249 40.478 40.800 -0.121 0.000 0.973 615 D HN 0.366 nan 8.370 nan 0.000 0.460 616 L N 0.277 121.480 121.223 -0.035 0.000 2.093 616 L HA -0.095 4.259 4.340 0.023 0.000 0.208 616 L C 2.416 179.283 176.870 -0.005 0.000 1.085 616 L CA 0.541 55.374 54.840 -0.013 0.000 0.755 616 L CB -0.181 41.869 42.059 -0.014 0.000 0.904 616 L HN 0.100 nan 8.230 nan 0.000 0.435 617 L N -0.552 120.664 121.223 -0.012 0.000 2.012 617 L HA -0.254 4.099 4.340 0.023 0.000 0.210 617 L C 2.814 179.684 176.870 0.001 0.000 1.073 617 L CA 1.458 56.294 54.840 -0.006 0.000 0.748 617 L CB -0.687 41.366 42.059 -0.011 0.000 0.891 617 L HN 0.282 nan 8.230 nan 0.000 0.431 618 A N 0.093 122.911 122.820 -0.004 0.000 1.873 618 A HA -0.167 4.167 4.320 0.023 0.000 0.215 618 A C 2.172 179.778 177.584 0.037 0.000 1.186 618 A CA 1.453 53.495 52.037 0.009 0.000 0.616 618 A CB -0.598 18.396 19.000 -0.010 0.000 0.823 618 A HN 0.331 nan 8.150 nan 0.000 0.442 619 I N -0.308 120.287 120.570 0.042 0.000 2.113 619 I HA -0.271 3.912 4.170 0.023 0.000 0.238 619 I C 2.421 178.570 176.117 0.053 0.000 1.070 619 I CA 1.349 62.695 61.300 0.077 0.000 1.332 619 I CB -0.385 37.666 38.000 0.084 0.000 1.044 619 I HN 0.275 nan 8.210 nan 0.000 0.402 620 L N 0.313 121.558 121.223 0.036 0.000 2.083 620 L HA -0.220 4.134 4.340 0.023 0.000 0.209 620 L C 2.588 179.472 176.870 0.024 0.000 1.083 620 L CA 1.389 56.247 54.840 0.030 0.000 0.752 620 L CB -0.534 41.540 42.059 0.024 0.000 0.899 620 L HN 0.225 nan 8.230 nan 0.000 0.433 621 K N 0.115 120.528 120.400 0.021 0.000 2.103 621 K HA -0.102 4.232 4.320 0.023 0.000 0.204 621 K C 2.163 178.772 176.600 0.015 0.000 1.052 621 K CA 1.025 57.321 56.287 0.015 0.000 0.945 621 K CB 0.014 32.521 32.500 0.012 0.000 0.722 621 K HN 0.257 nan 8.250 nan 0.000 0.443 622 A N 1.160 123.994 122.820 0.024 0.000 1.898 622 A HA -0.097 4.237 4.320 0.023 0.000 0.216 622 A C 2.033 179.622 177.584 0.009 0.000 1.181 622 A CA 1.036 53.086 52.037 0.022 0.000 0.620 622 A CB -0.489 18.536 19.000 0.042 0.000 0.819 622 A HN 0.246 nan 8.150 nan 0.000 0.442 623 L N -0.658 120.572 121.223 0.011 0.000 1.994 623 L HA -0.183 4.170 4.340 0.023 0.000 0.208 623 L C 2.699 179.551 176.870 -0.030 0.000 1.071 623 L CA 1.670 56.505 54.840 -0.007 0.000 0.745 623 L CB -0.487 41.576 42.059 0.007 0.000 0.892 623 L HN 0.329 nan 8.230 nan 0.000 0.431 624 K N 0.644 121.035 120.400 -0.015 0.000 2.063 624 K HA -0.213 4.121 4.320 0.023 0.000 0.208 624 K C 2.052 178.634 176.600 -0.029 0.000 1.048 624 K CA 1.684 57.959 56.287 -0.021 0.000 0.928 624 K CB -0.179 32.323 32.500 0.003 0.000 0.713 624 K HN 0.294 nan 8.250 nan 0.000 0.442 625 A N 0.917 123.727 122.820 -0.017 0.000 1.978 625 A HA -0.140 4.193 4.320 0.023 0.000 0.220 625 A C 1.728 179.296 177.584 -0.027 0.000 1.170 625 A CA 1.597 53.624 52.037 -0.016 0.000 0.636 625 A CB -0.151 18.845 19.000 -0.006 0.000 0.810 625 A HN 0.142 nan 8.150 nan 0.000 0.448 626 K N -1.506 118.871 120.400 -0.038 0.000 2.374 626 K HA 0.276 4.609 4.320 0.023 0.000 0.196 626 K C 0.986 177.536 176.600 -0.083 0.000 1.023 626 K CA 0.343 56.601 56.287 -0.047 0.000 1.103 626 K CB -0.269 32.208 32.500 -0.038 0.000 0.848 626 K HN 0.727 nan 8.250 nan 0.000 0.528 627 G N 0.560 109.293 108.800 -0.112 0.000 2.160 627 G HA2 -0.230 3.744 3.960 0.023 0.000 0.251 627 G HA3 -0.230 3.744 3.960 0.023 0.000 0.251 627 G C -0.057 174.633 174.900 -0.351 0.000 1.008 627 G CA 0.325 45.309 45.100 -0.194 0.000 0.724 627 G HN 0.106 nan 8.290 nan 0.000 0.514 628 V N 0.743 120.502 119.914 -0.259 0.000 2.465 628 V HA 0.492 4.626 4.120 0.023 0.000 0.279 628 V C 0.772 176.708 176.094 -0.263 0.000 1.045 628 V CA -0.701 61.450 62.300 -0.248 0.000 0.938 628 V CB 1.115 32.882 31.823 -0.093 0.000 0.986 628 V HN 0.440 nan 8.190 nan 0.000 0.467 629 H N 1.748 120.831 119.070 0.022 0.000 2.495 629 H HA 0.763 5.332 4.556 0.023 0.000 0.350 629 H C 0.194 175.544 175.328 0.036 0.000 1.202 629 H CA 0.099 56.163 56.048 0.026 0.000 1.322 629 H CB 1.320 31.099 29.762 0.029 0.000 1.544 629 H HN 0.856 nan 8.280 nan 0.000 0.565 630 A N 1.221 124.149 122.820 0.181 0.000 2.435 630 A HA 0.581 4.915 4.320 0.023 0.000 0.304 630 A C -1.184 176.459 177.584 0.099 0.000 1.064 630 A CA -1.059 51.045 52.037 0.112 0.000 0.727 630 A CB 1.188 20.235 19.000 0.079 0.000 1.284 630 A HN 0.791 nan 8.150 nan 0.000 0.415 631 K N 1.997 122.449 120.400 0.085 0.000 2.507 631 K HA 0.668 5.001 4.320 0.023 0.000 0.252 631 K C -1.530 175.102 176.600 0.052 0.000 0.943 631 K CA -0.479 55.849 56.287 0.069 0.000 0.808 631 K CB 1.574 34.124 32.500 0.083 0.000 1.142 631 K HN 0.476 nan 8.250 nan 0.000 0.426 632 L N 4.207 125.451 121.223 0.035 0.000 2.278 632 L HA 0.284 4.638 4.340 0.023 0.000 0.287 632 L C -0.679 176.200 176.870 0.016 0.000 1.072 632 L CA -1.012 53.842 54.840 0.023 0.000 0.819 632 L CB 0.271 42.334 42.059 0.006 0.000 1.176 632 L HN 0.457 nan 8.230 nan 0.000 0.435 633 L N 4.369 125.607 121.223 0.026 0.000 2.334 633 L HA 0.587 4.941 4.340 0.023 0.000 0.272 633 L C -0.403 176.413 176.870 -0.090 0.000 1.020 633 L CA -0.316 54.506 54.840 -0.030 0.000 0.812 633 L CB 1.419 43.499 42.059 0.034 0.000 1.264 633 L HN 0.336 nan 8.230 nan 0.000 0.439 634 Y N -0.801 119.109 120.300 -0.650 0.000 2.896 634 Y HA 0.281 4.844 4.550 0.023 0.000 0.317 634 Y C 0.953 176.082 175.900 -1.285 0.000 1.444 634 Y CA -0.572 57.004 58.100 -0.875 0.000 1.084 634 Y CB 1.378 39.640 38.460 -0.329 0.000 1.382 634 Y HN 0.559 nan 8.280 nan 0.000 0.471 635 S N 0.671 115.416 115.700 -1.592 0.000 2.562 635 S HA 0.237 4.721 4.470 0.023 0.000 0.221 635 S C 0.059 174.354 174.600 -0.508 0.000 0.975 635 S CA 0.479 58.125 58.200 -0.923 0.000 0.918 635 S CB -0.174 62.611 63.200 -0.691 0.000 0.772 635 S HN 0.620 nan 8.310 nan 0.000 0.531 636 R N -1.463 118.813 120.500 -0.373 0.000 2.747 636 R HA 0.605 4.959 4.340 0.023 0.000 0.272 636 R C -0.982 175.310 176.300 -0.013 0.000 1.032 636 R CA -1.096 54.932 56.100 -0.120 0.000 0.896 636 R CB 0.442 30.716 30.300 -0.043 0.000 1.253 636 R HN -0.062 nan 8.270 nan 0.000 0.461 637 M N 0.069 119.666 119.600 -0.006 0.000 2.363 637 M HA 0.578 5.072 4.480 0.023 0.000 0.280 637 M C 0.953 177.269 176.300 0.026 0.000 1.182 637 M CA 0.820 56.124 55.300 0.006 0.000 0.974 637 M CB 0.684 33.281 32.600 -0.006 0.000 1.452 637 M HN 1.054 nan 8.290 nan 0.000 0.507 638 G N 0.929 109.736 108.800 0.011 0.000 2.715 638 G HA2 -0.108 3.866 3.960 0.023 0.000 0.221 638 G HA3 -0.108 3.866 3.960 0.023 0.000 0.221 638 G C -0.999 173.895 174.900 -0.010 0.000 1.204 638 G CA -0.569 44.534 45.100 0.005 0.000 1.063 638 G HN 0.613 nan 8.290 nan 0.000 0.586 639 E N -0.813 119.374 120.200 -0.022 0.000 2.367 639 E HA 0.603 4.966 4.350 0.023 0.000 0.273 639 E C -0.384 176.158 176.600 -0.098 0.000 0.903 639 E CA -0.583 55.785 56.400 -0.054 0.000 0.764 639 E CB 2.988 32.664 29.700 -0.040 0.000 1.252 639 E HN 1.189 nan 8.360 nan 0.000 0.446 640 V N -1.562 118.256 119.914 -0.159 0.000 2.960 640 V HA 0.731 4.865 4.120 0.023 0.000 0.315 640 V C -0.422 175.593 176.094 -0.132 0.000 1.087 640 V CA -0.623 61.554 62.300 -0.205 0.000 0.982 640 V CB 1.962 33.535 31.823 -0.417 0.000 1.039 640 V HN 0.622 nan 8.190 nan 0.000 0.437 641 T N 2.549 117.039 114.554 -0.107 0.000 2.779 641 T HA 0.774 5.138 4.350 0.023 0.000 0.280 641 T C 0.272 174.931 174.700 -0.069 0.000 0.987 641 T CA 0.245 62.302 62.100 -0.071 0.000 0.966 641 T CB 1.320 70.159 68.868 -0.048 0.000 0.933 641 T HN 1.341 nan 8.240 nan 0.000 0.442 642 A N 2.363 125.148 122.820 -0.058 0.000 2.327 642 A HA 0.364 4.698 4.320 0.023 0.000 0.255 642 A C 1.635 179.197 177.584 -0.036 0.000 1.099 642 A CA -0.290 51.718 52.037 -0.049 0.000 0.801 642 A CB 0.030 19.005 19.000 -0.042 0.000 1.062 642 A HN 0.929 nan 8.150 nan 0.000 0.496 643 D N 0.143 120.524 120.400 -0.031 0.000 2.220 643 D HA -0.240 4.414 4.640 0.023 0.000 0.198 643 D C 0.615 176.901 176.300 -0.022 0.000 1.001 643 D CA 1.947 55.932 54.000 -0.025 0.000 0.875 643 D CB -0.252 40.534 40.800 -0.023 0.000 0.921 643 D HN 0.624 nan 8.370 nan 0.000 0.454 644 D N -1.999 118.387 120.400 -0.023 0.000 2.402 644 D HA 0.227 4.880 4.640 0.023 0.000 0.216 644 D C 1.576 177.864 176.300 -0.020 0.000 1.128 644 D CA 0.336 54.324 54.000 -0.020 0.000 0.833 644 D CB -0.000 40.788 40.800 -0.020 0.000 0.971 644 D HN 0.400 nan 8.370 nan 0.000 0.503 645 G N 0.265 109.051 108.800 -0.022 0.000 2.176 645 G HA2 -0.274 3.700 3.960 0.023 0.000 0.253 645 G HA3 -0.274 3.700 3.960 0.023 0.000 0.253 645 G C 0.444 175.329 174.900 -0.024 0.000 0.979 645 G CA 0.296 45.383 45.100 -0.022 0.000 0.641 645 G HN 0.422 nan 8.290 nan 0.000 0.530 646 T N 1.527 116.066 114.554 -0.025 0.000 2.867 646 T HA 0.393 4.757 4.350 0.023 0.000 0.297 646 T C 0.727 175.407 174.700 -0.033 0.000 0.989 646 T CA 0.170 62.255 62.100 -0.026 0.000 1.159 646 T CB 1.856 70.709 68.868 -0.025 0.000 0.928 646 T HN 0.460 nan 8.240 nan 0.000 0.538 647 V N 5.724 125.620 119.914 -0.030 0.000 2.432 647 V HA 0.203 4.336 4.120 0.023 0.000 0.271 647 V C -0.063 176.008 176.094 -0.039 0.000 1.046 647 V CA -0.678 61.600 62.300 -0.036 0.000 0.945 647 V CB 0.763 32.569 31.823 -0.028 0.000 0.992 647 V HN 0.547 nan 8.190 nan 0.000 0.471 648 L N 9.017 130.208 121.223 -0.055 0.000 2.298 648 L HA 0.529 4.882 4.340 0.023 0.000 0.284 648 L C -2.097 174.740 176.870 -0.055 0.000 1.013 648 L CA -2.504 52.303 54.840 -0.055 0.000 0.824 648 L CB 1.621 43.634 42.059 -0.077 0.000 1.221 648 L HN 0.429 nan 8.230 nan 0.000 0.418 649 P HA 0.241 nan 4.420 nan 0.000 0.276 649 P C -0.363 176.922 177.300 -0.026 0.000 1.230 649 P CA -0.213 62.872 63.100 -0.026 0.000 0.776 649 P CB 1.093 32.785 31.700 -0.013 0.000 0.888 650 I N 2.589 123.144 120.570 -0.024 0.000 2.342 650 I HA 0.195 4.379 4.170 0.023 0.000 0.291 650 I C 1.601 177.714 176.117 -0.007 0.000 1.010 650 I CA -0.381 60.909 61.300 -0.017 0.000 1.308 650 I CB 1.468 39.464 38.000 -0.006 0.000 1.400 650 I HN 0.370 nan 8.210 nan 0.000 0.488 651 A N 5.341 128.161 122.820 -0.001 0.000 1.898 651 A HA 0.545 4.878 4.320 0.023 0.000 0.214 651 A C 0.978 178.566 177.584 0.007 0.000 1.183 651 A CA 1.279 53.322 52.037 0.009 0.000 0.622 651 A CB 0.017 19.030 19.000 0.022 0.000 0.824 651 A HN 0.803 nan 8.150 nan 0.000 0.444 652 A N -2.125 120.694 122.820 -0.003 0.000 2.586 652 A HA 0.578 4.911 4.320 0.023 0.000 0.290 652 A C -0.096 177.453 177.584 -0.058 0.000 1.086 652 A CA 0.116 52.150 52.037 -0.006 0.000 0.665 652 A CB -0.167 18.854 19.000 0.036 0.000 1.279 652 A HN 0.806 nan 8.150 nan 0.000 0.423 653 T N -1.660 112.852 114.554 -0.070 0.000 2.902 653 T HA 0.578 4.942 4.350 0.023 0.000 0.280 653 T C 0.948 175.618 174.700 -0.051 0.000 0.992 653 T CA -0.068 61.922 62.100 -0.183 0.000 1.015 653 T CB 0.167 68.952 68.868 -0.139 0.000 1.044 653 T HN 0.493 nan 8.240 nan 0.000 0.520 654 F N 0.646 120.622 119.950 0.043 0.000 2.120 654 F HA -0.066 4.474 4.527 0.023 0.000 0.300 654 F C 2.931 178.864 175.800 0.222 0.000 1.095 654 F CA 1.094 59.178 58.000 0.139 0.000 1.249 654 F CB -0.625 38.433 39.000 0.097 0.000 0.995 654 F HN 0.708 nan 8.300 nan 0.000 0.480 655 A N 0.179 123.162 122.820 0.272 0.000 2.016 655 A HA 0.098 4.432 4.320 0.023 0.000 0.217 655 A C 2.407 180.060 177.584 0.115 0.000 1.162 655 A CA 1.270 53.409 52.037 0.170 0.000 0.662 655 A CB -1.307 17.752 19.000 0.099 0.000 0.812 655 A HN 0.386 nan 8.150 nan 0.000 0.450 656 G N -0.606 108.253 108.800 0.097 0.000 2.403 656 G HA2 0.269 4.243 3.960 0.023 0.000 0.216 656 G HA3 0.269 4.243 3.960 0.023 0.000 0.216 656 G C 0.734 175.684 174.900 0.084 0.000 1.154 656 G CA 0.925 46.063 45.100 0.064 0.000 0.784 656 G HN 0.999 nan 8.290 nan 0.000 0.538 657 A N 1.332 124.238 122.820 0.143 0.000 2.978 657 A HA 0.677 5.010 4.320 0.023 0.000 0.341 657 A C -2.470 175.263 177.584 0.250 0.000 1.105 657 A CA -1.240 50.895 52.037 0.162 0.000 0.819 657 A CB 1.050 20.145 19.000 0.158 0.000 1.080 657 A HN 0.163 nan 8.150 nan 0.000 0.476 658 P HA 0.024 nan 4.420 nan 0.000 0.271 658 P C 1.286 178.406 177.300 -0.301 0.000 1.233 658 P CA 0.344 63.382 63.100 -0.104 0.000 0.789 658 P CB 0.764 32.390 31.700 -0.122 0.000 0.951 659 S N 0.775 115.923 115.700 -0.921 0.000 2.440 659 S HA -0.166 4.318 4.470 0.023 0.000 0.238 659 S C 1.921 176.377 174.600 -0.240 0.000 1.010 659 S CA 1.037 58.873 58.200 -0.607 0.000 0.972 659 S CB -1.396 61.373 63.200 -0.719 0.000 0.774 659 S HN 0.372 nan 8.310 nan 0.000 0.501 660 L N 1.788 122.869 121.223 -0.236 0.000 2.089 660 L HA -0.137 4.217 4.340 0.023 0.000 0.213 660 L C 2.928 179.615 176.870 -0.305 0.000 1.079 660 L CA 1.786 56.482 54.840 -0.240 0.000 0.758 660 L CB -1.561 40.330 42.059 -0.280 0.000 0.891 660 L HN 0.659 nan 8.230 nan 0.000 0.433 661 T N -3.367 111.074 114.554 -0.187 0.000 3.107 661 T HA 0.257 4.621 4.350 0.023 0.000 0.249 661 T C 0.337 175.122 174.700 0.142 0.000 1.096 661 T CA 0.155 62.217 62.100 -0.063 0.000 1.012 661 T CB -0.356 68.569 68.868 0.095 0.000 0.977 661 T HN 0.179 nan 8.240 nan 0.000 0.527 662 V N -2.839 117.125 119.914 0.084 0.000 3.155 662 V HA 0.594 4.728 4.120 0.023 0.000 0.313 662 V C -0.214 175.933 176.094 0.089 0.000 1.162 662 V CA -0.943 61.437 62.300 0.133 0.000 1.048 662 V CB 2.069 33.984 31.823 0.153 0.000 1.092 662 V HN -0.013 nan 8.190 nan 0.000 0.447 663 D N 0.591 121.044 120.400 0.088 0.000 2.392 663 D HA 0.529 5.182 4.640 0.023 0.000 0.206 663 D C 0.513 176.804 176.300 -0.015 0.000 1.046 663 D CA 1.400 55.426 54.000 0.043 0.000 0.865 663 D CB 1.607 42.452 40.800 0.074 0.000 0.969 663 D HN 0.980 nan 8.370 nan 0.000 0.509 664 A N 0.104 122.931 122.820 0.011 0.000 2.586 664 A HA 0.566 4.900 4.320 0.023 0.000 0.290 664 A C -1.608 175.993 177.584 0.029 0.000 1.086 664 A CA -0.521 51.507 52.037 -0.015 0.000 0.665 664 A CB 1.544 20.521 19.000 -0.038 0.000 1.279 664 A HN -0.112 nan 8.150 nan 0.000 0.423 665 V N 0.951 120.872 119.914 0.012 0.000 2.638 665 V HA 0.566 4.700 4.120 0.023 0.000 0.306 665 V C -0.772 175.322 176.094 0.000 0.000 1.052 665 V CA -0.201 62.115 62.300 0.027 0.000 0.885 665 V CB 1.580 33.434 31.823 0.053 0.000 0.999 665 V HN 0.700 nan 8.190 nan 0.000 0.424 666 I N 4.128 124.706 120.570 0.014 0.000 2.465 666 I HA 0.559 4.742 4.170 0.023 0.000 0.291 666 I C -0.876 175.268 176.117 0.044 0.000 1.014 666 I CA -0.971 60.365 61.300 0.062 0.000 1.093 666 I CB 2.309 40.377 38.000 0.113 0.000 1.267 666 I HN 0.275 nan 8.210 nan 0.000 0.431 667 V N 7.469 127.429 119.914 0.076 0.000 2.326 667 V HA 0.328 4.461 4.120 0.023 0.000 0.281 667 V C -2.133 174.025 176.094 0.106 0.000 1.015 667 V CA -1.609 60.727 62.300 0.059 0.000 0.823 667 V CB 1.183 33.022 31.823 0.026 0.000 1.009 667 V HN 0.555 nan 8.190 nan 0.000 0.436 668 P HA 0.171 nan 4.420 nan 0.000 0.274 668 P C 0.122 177.438 177.300 0.027 0.000 1.256 668 P CA -0.378 62.735 63.100 0.023 0.000 0.795 668 P CB 0.926 32.631 31.700 0.007 0.000 1.038 669 C N 0.451 119.739 119.300 -0.021 0.000 2.656 669 C HA 0.671 5.144 4.460 0.023 0.000 0.391 669 C C 1.157 176.147 174.990 0.001 0.000 1.300 669 C CA 1.644 60.656 59.018 -0.010 0.000 2.302 669 C CB -1.098 26.615 27.740 -0.045 0.000 2.655 669 C HN 0.879 nan 8.230 nan 0.000 0.656 670 G N 2.382 111.187 108.800 0.009 0.000 2.513 670 G HA2 0.069 4.043 3.960 0.023 0.000 0.182 670 G HA3 0.069 4.043 3.960 0.023 0.000 0.182 670 G C -0.720 174.187 174.900 0.012 0.000 1.190 670 G CA -0.241 44.863 45.100 0.006 0.000 0.987 670 G HN 0.894 nan 8.290 nan 0.000 0.479 671 N N 1.518 120.231 118.700 0.022 0.000 3.050 671 N HA 0.090 4.844 4.740 0.023 0.000 0.289 671 N C 1.264 176.802 175.510 0.047 0.000 1.209 671 N CA -0.603 52.463 53.050 0.026 0.000 1.154 671 N CB -0.106 38.398 38.487 0.028 0.000 1.444 671 N HN 0.323 nan 8.380 nan 0.000 0.529 672 I N 1.775 122.362 120.570 0.027 0.000 2.423 672 I HA -0.234 3.950 4.170 0.023 0.000 0.254 672 I C 2.384 178.495 176.117 -0.010 0.000 1.151 672 I CA 0.736 62.049 61.300 0.020 0.000 1.421 672 I CB -1.536 36.429 38.000 -0.058 0.000 1.079 672 I HN 0.468 nan 8.210 nan 0.000 0.431 673 A N 0.549 123.359 122.820 -0.017 0.000 2.019 673 A HA -0.256 4.078 4.320 0.023 0.000 0.219 673 A C 2.062 179.663 177.584 0.027 0.000 1.164 673 A CA 1.805 53.830 52.037 -0.020 0.000 0.644 673 A CB -0.682 18.306 19.000 -0.019 0.000 0.805 673 A HN 0.401 nan 8.150 nan 0.000 0.449 674 D N 0.279 120.721 120.400 0.069 0.000 2.190 674 D HA -0.172 4.482 4.640 0.023 0.000 0.200 674 D C 1.406 177.793 176.300 0.145 0.000 0.992 674 D CA 1.861 55.933 54.000 0.119 0.000 0.854 674 D CB -0.162 40.742 40.800 0.174 0.000 0.936 674 D HN 0.672 nan 8.370 nan 0.000 0.462 675 I N -4.769 115.898 120.570 0.161 0.000 4.439 675 I HA 0.486 4.670 4.170 0.023 0.000 0.331 675 I C 1.694 177.934 176.117 0.205 0.000 1.345 675 I CA -0.152 61.272 61.300 0.207 0.000 1.193 675 I CB 0.178 38.356 38.000 0.298 0.000 1.221 675 I HN -0.105 nan 8.210 nan 0.000 0.429 676 A N 1.055 123.915 122.820 0.068 0.000 2.121 676 A HA -0.088 4.245 4.320 0.023 0.000 0.218 676 A C 1.729 179.315 177.584 0.003 0.000 1.154 676 A CA 1.746 53.721 52.037 -0.104 0.000 0.679 676 A CB -0.430 18.392 19.000 -0.298 0.000 0.795 676 A HN 0.445 nan 8.150 nan 0.000 0.458 677 D N -0.707 119.712 120.400 0.033 0.000 2.366 677 D HA -0.015 4.639 4.640 0.023 0.000 0.205 677 D C 0.262 176.593 176.300 0.052 0.000 1.022 677 D CA 0.014 54.032 54.000 0.030 0.000 0.868 677 D CB -0.165 40.645 40.800 0.017 0.000 0.953 677 D HN 0.294 nan 8.370 nan 0.000 0.514 678 N N 1.257 120.004 118.700 0.078 0.000 2.406 678 N HA -0.005 4.749 4.740 0.023 0.000 0.265 678 N C 1.311 176.861 175.510 0.066 0.000 1.203 678 N CA 0.099 53.195 53.050 0.077 0.000 0.945 678 N CB 1.147 39.698 38.487 0.107 0.000 1.165 678 N HN -0.006 nan 8.380 nan 0.000 0.485 679 G N 3.244 112.080 108.800 0.060 0.000 2.469 679 G HA2 -0.266 3.707 3.960 0.023 0.000 0.220 679 G HA3 -0.266 3.707 3.960 0.023 0.000 0.220 679 G C 1.042 175.991 174.900 0.082 0.000 1.136 679 G CA 0.552 45.690 45.100 0.063 0.000 0.759 679 G HN 0.637 nan 8.290 nan 0.000 0.562 680 D N 1.077 121.527 120.400 0.084 0.000 2.104 680 D HA -0.108 4.546 4.640 0.023 0.000 0.194 680 D C 2.851 179.148 176.300 -0.004 0.000 0.994 680 D CA 1.338 55.413 54.000 0.125 0.000 0.830 680 D CB -0.236 40.702 40.800 0.230 0.000 0.959 680 D HN 0.356 nan 8.370 nan 0.000 0.452 681 A N 1.610 124.278 122.820 -0.253 0.000 1.898 681 A HA -0.173 4.160 4.320 0.023 0.000 0.216 681 A C 2.007 179.390 177.584 -0.335 0.000 1.181 681 A CA 1.142 52.808 52.037 -0.618 0.000 0.620 681 A CB -0.416 18.177 19.000 -0.678 0.000 0.819 681 A HN 0.152 nan 8.150 nan 0.000 0.442 682 N N -1.399 117.248 118.700 -0.088 0.000 2.120 682 N HA -0.191 4.562 4.740 0.023 0.000 0.188 682 N C 1.696 177.187 175.510 -0.031 0.000 1.024 682 N CA 1.814 54.855 53.050 -0.014 0.000 0.852 682 N CB -0.502 38.049 38.487 0.106 0.000 1.003 682 N HN 0.695 nan 8.380 nan 0.000 0.424 683 Y N 0.610 120.872 120.300 -0.063 0.000 2.242 683 Y HA -0.249 4.314 4.550 0.023 0.000 0.291 683 Y C 2.396 178.240 175.900 -0.093 0.000 1.137 683 Y CA 1.146 59.206 58.100 -0.068 0.000 1.181 683 Y CB -0.351 38.077 38.460 -0.054 0.000 0.989 683 Y HN -0.003 nan 8.280 nan 0.000 0.527 684 Y N 0.478 120.645 120.300 -0.221 0.000 2.081 684 Y HA -0.352 4.212 4.550 0.023 0.000 0.280 684 Y C 2.128 177.825 175.900 -0.338 0.000 1.163 684 Y CA 2.321 60.260 58.100 -0.269 0.000 1.135 684 Y CB -0.568 37.720 38.460 -0.286 0.000 0.970 684 Y HN 0.115 nan 8.280 nan 0.000 0.498 685 L N -1.151 119.996 121.223 -0.127 0.000 2.056 685 L HA -0.264 4.090 4.340 0.023 0.000 0.207 685 L C 2.437 179.189 176.870 -0.197 0.000 1.078 685 L CA 1.501 56.245 54.840 -0.161 0.000 0.749 685 L CB -0.589 41.330 42.059 -0.233 0.000 0.901 685 L HN 0.286 nan 8.230 nan 0.000 0.433 686 M N -0.490 118.941 119.600 -0.281 0.000 2.117 686 M HA -0.217 4.277 4.480 0.023 0.000 0.262 686 M C 2.271 178.327 176.300 -0.406 0.000 1.065 686 M CA 1.695 56.827 55.300 -0.280 0.000 1.114 686 M CB -0.376 32.062 32.600 -0.269 0.000 1.361 686 M HN 0.229 nan 8.290 nan 0.000 0.408 687 E N 0.670 120.437 120.200 -0.721 0.000 2.028 687 E HA -0.190 4.174 4.350 0.023 0.000 0.191 687 E C 2.022 178.240 176.600 -0.636 0.000 0.988 687 E CA 1.352 57.269 56.400 -0.804 0.000 0.799 687 E CB -0.016 29.160 29.700 -0.874 0.000 0.755 687 E HN 0.459 nan 8.360 nan 0.000 0.447 688 A N 0.262 122.837 122.820 -0.409 0.000 1.940 688 A HA -0.220 4.114 4.320 0.023 0.000 0.219 688 A C 2.059 179.533 177.584 -0.183 0.000 1.176 688 A CA 1.586 53.482 52.037 -0.235 0.000 0.631 688 A CB -0.959 17.968 19.000 -0.122 0.000 0.814 688 A HN 0.583 nan 8.150 nan 0.000 0.446 689 Y N 0.469 120.609 120.300 -0.266 0.000 2.145 689 Y HA -0.201 4.363 4.550 0.023 0.000 0.286 689 Y C 2.407 178.183 175.900 -0.207 0.000 1.145 689 Y CA 2.350 60.326 58.100 -0.208 0.000 1.148 689 Y CB -0.220 38.134 38.460 -0.177 0.000 0.981 689 Y HN 0.300 nan 8.280 nan 0.000 0.507 690 K N -0.615 119.658 120.400 -0.212 0.000 2.152 690 K HA -0.219 4.115 4.320 0.023 0.000 0.206 690 K C 0.803 177.294 176.600 -0.183 0.000 1.048 690 K CA 1.955 58.101 56.287 -0.234 0.000 0.933 690 K CB -0.411 31.915 32.500 -0.290 0.000 0.721 690 K HN 0.591 nan 8.250 nan 0.000 0.447 691 H N 0.280 119.230 119.070 -0.200 0.000 2.519 691 H HA 0.196 4.766 4.556 0.023 0.000 0.289 691 H C -0.116 175.059 175.328 -0.255 0.000 1.040 691 H CA -0.032 55.902 56.048 -0.189 0.000 1.165 691 H CB 0.142 29.790 29.762 -0.189 0.000 1.462 691 H HN 0.104 nan 8.280 nan 0.000 0.555 692 L N -0.007 121.074 121.223 -0.237 0.000 4.089 692 L HA -0.278 4.076 4.340 0.023 0.000 0.408 692 L C -0.357 176.256 176.870 -0.429 0.000 1.184 692 L CA 0.650 55.257 54.840 -0.387 0.000 0.947 692 L CB -1.754 40.058 42.059 -0.410 0.000 2.066 692 L HN 0.309 nan 8.230 nan 0.000 0.851 693 K N 0.758 120.970 120.400 -0.313 0.000 2.143 693 K HA 0.487 4.821 4.320 0.023 0.000 0.272 693 K C -2.138 174.327 176.600 -0.225 0.000 1.001 693 K CA -1.828 54.297 56.287 -0.270 0.000 0.915 693 K CB 0.762 33.160 32.500 -0.171 0.000 1.047 693 K HN -0.221 nan 8.250 nan 0.000 0.458 694 P HA 0.032 nan 4.420 nan 0.000 0.265 694 P C -0.774 176.461 177.300 -0.109 0.000 1.193 694 P CA 0.451 63.452 63.100 -0.167 0.000 0.765 694 P CB 0.429 32.031 31.700 -0.163 0.000 0.823 695 I N 1.795 122.315 120.570 -0.085 0.000 2.582 695 I HA 0.625 4.808 4.170 0.023 0.000 0.292 695 I C -0.387 175.684 176.117 -0.077 0.000 1.066 695 I CA -0.807 60.461 61.300 -0.052 0.000 1.053 695 I CB 2.236 40.234 38.000 -0.005 0.000 1.241 695 I HN 0.259 nan 8.210 nan 0.000 0.421 696 A N 7.361 130.142 122.820 -0.066 0.000 2.356 696 A HA 0.890 5.224 4.320 0.023 0.000 0.310 696 A C -1.194 176.479 177.584 0.147 0.000 1.075 696 A CA -0.450 51.533 52.037 -0.090 0.000 0.746 696 A CB 1.078 19.862 19.000 -0.360 0.000 1.221 696 A HN 0.651 nan 8.150 nan 0.000 0.443 697 L N 2.185 123.554 121.223 0.243 0.000 2.343 697 L HA 0.697 5.051 4.340 0.023 0.000 0.278 697 L C 0.246 177.326 176.870 0.351 0.000 0.996 697 L CA -0.577 54.421 54.840 0.263 0.000 0.831 697 L CB 1.922 44.086 42.059 0.176 0.000 1.232 697 L HN 0.789 nan 8.230 nan 0.000 0.413 698 A N 2.433 125.372 122.820 0.199 0.000 2.292 698 A HA 0.835 5.169 4.320 0.023 0.000 0.319 698 A C 0.682 178.253 177.584 -0.022 0.000 1.206 698 A CA 0.345 52.349 52.037 -0.054 0.000 0.835 698 A CB 1.078 19.855 19.000 -0.372 0.000 1.164 698 A HN 0.993 nan 8.150 nan 0.000 0.505 699 G N 2.120 110.900 108.800 -0.035 0.000 2.611 699 G HA2 -0.330 3.644 3.960 0.023 0.000 0.301 699 G HA3 -0.330 3.644 3.960 0.023 0.000 0.301 699 G C 0.462 175.363 174.900 0.001 0.000 1.233 699 G CA 0.706 45.792 45.100 -0.024 0.000 0.993 699 G HN 0.719 nan 8.290 nan 0.000 0.553 700 D N 1.261 121.656 120.400 -0.009 0.000 2.351 700 D HA 0.129 4.783 4.640 0.023 0.000 0.216 700 D C 2.570 178.863 176.300 -0.011 0.000 0.968 700 D CA 1.608 55.596 54.000 -0.021 0.000 0.899 700 D CB -0.687 40.093 40.800 -0.033 0.000 0.907 700 D HN 0.825 nan 8.370 nan 0.000 0.514 701 A N 0.905 123.759 122.820 0.057 0.000 2.024 701 A HA -0.209 4.124 4.320 0.023 0.000 0.220 701 A C 2.110 179.798 177.584 0.174 0.000 1.164 701 A CA 0.973 53.116 52.037 0.176 0.000 0.643 701 A CB -0.463 18.665 19.000 0.212 0.000 0.806 701 A HN 0.143 nan 8.150 nan 0.000 0.451 702 R N -0.510 120.044 120.500 0.089 0.000 2.249 702 R HA -0.133 4.221 4.340 0.023 0.000 0.230 702 R C 1.908 178.213 176.300 0.009 0.000 1.121 702 R CA 1.393 57.532 56.100 0.066 0.000 0.997 702 R CB -0.239 30.087 30.300 0.043 0.000 0.867 702 R HN 0.519 nan 8.270 nan 0.000 0.465 703 K N -0.240 120.116 120.400 -0.074 0.000 2.218 703 K HA -0.159 4.174 4.320 0.023 0.000 0.205 703 K C 1.288 177.762 176.600 -0.210 0.000 1.046 703 K CA 1.368 57.548 56.287 -0.179 0.000 0.933 703 K CB -0.101 32.223 32.500 -0.293 0.000 0.728 703 K HN 0.160 nan 8.250 nan 0.000 0.454 704 F N 0.913 120.839 119.950 -0.040 0.000 2.604 704 F HA -0.082 4.458 4.527 0.023 0.000 0.298 704 F C 1.794 177.546 175.800 -0.080 0.000 1.131 704 F CA 0.672 58.637 58.000 -0.059 0.000 1.457 704 F CB 0.033 38.997 39.000 -0.061 0.000 1.095 704 F HN -0.071 nan 8.300 nan 0.000 0.574 705 K N 0.382 120.828 120.400 0.077 0.000 2.127 705 K HA -0.238 4.096 4.320 0.023 0.000 0.208 705 K C 2.289 178.863 176.600 -0.043 0.000 1.047 705 K CA 1.301 57.586 56.287 -0.003 0.000 0.927 705 K CB -0.379 32.115 32.500 -0.009 0.000 0.716 705 K HN 0.287 nan 8.250 nan 0.000 0.450 706 A N 0.754 123.554 122.820 -0.032 0.000 1.969 706 A HA -0.116 4.217 4.320 0.023 0.000 0.218 706 A C 2.099 179.656 177.584 -0.045 0.000 1.169 706 A CA 1.784 53.794 52.037 -0.044 0.000 0.635 706 A CB -0.732 18.242 19.000 -0.045 0.000 0.810 706 A HN 0.301 nan 8.150 nan 0.000 0.445 707 T N 0.812 115.359 114.554 -0.012 0.000 2.833 707 T HA -0.108 4.256 4.350 0.023 0.000 0.269 707 T C 1.423 176.063 174.700 -0.100 0.000 1.054 707 T CA 1.587 63.678 62.100 -0.015 0.000 1.135 707 T CB -0.533 68.371 68.868 0.060 0.000 0.869 707 T HN 0.726 nan 8.240 nan 0.000 0.466 708 I N -1.947 118.512 120.570 -0.186 0.000 3.941 708 I HA 0.357 4.541 4.170 0.023 0.000 0.335 708 I C -0.443 175.427 176.117 -0.412 0.000 1.402 708 I CA -0.674 60.380 61.300 -0.409 0.000 1.112 708 I CB -0.118 37.473 38.000 -0.681 0.000 1.043 708 I HN -0.143 nan 8.210 nan 0.000 0.395 709 K N 1.935 122.210 120.400 -0.209 0.000 3.451 709 K HA -0.139 4.195 4.320 0.023 0.000 0.273 709 K C -0.364 176.155 176.600 -0.134 0.000 0.944 709 K CA 0.551 56.757 56.287 -0.135 0.000 0.734 709 K CB -1.647 30.799 32.500 -0.090 0.000 1.437 709 K HN 0.396 nan 8.250 nan 0.000 0.454 710 I N 0.498 120.989 120.570 -0.130 0.000 2.396 710 I HA 0.279 4.463 4.170 0.023 0.000 0.292 710 I C 1.388 177.481 176.117 -0.039 0.000 0.999 710 I CA -1.028 60.225 61.300 -0.079 0.000 1.310 710 I CB 0.976 38.932 38.000 -0.073 0.000 1.404 710 I HN 0.319 nan 8.210 nan 0.000 0.496 711 A N 4.771 127.580 122.820 -0.019 0.000 2.366 711 A HA 0.149 4.483 4.320 0.023 0.000 0.249 711 A C 1.076 178.656 177.584 -0.007 0.000 1.084 711 A CA -0.228 51.803 52.037 -0.010 0.000 0.794 711 A CB 0.148 19.147 19.000 -0.002 0.000 1.034 711 A HN 0.765 nan 8.150 nan 0.000 0.491 712 D N 0.148 120.544 120.400 -0.006 0.000 2.123 712 D HA -0.195 4.459 4.640 0.023 0.000 0.196 712 D C 2.136 178.437 176.300 0.001 0.000 0.992 712 D CA 1.987 55.984 54.000 -0.004 0.000 0.833 712 D CB -0.101 40.697 40.800 -0.004 0.000 0.954 712 D HN 0.784 nan 8.370 nan 0.000 0.455 713 Q N 0.763 120.565 119.800 0.002 0.000 2.297 713 Q HA 0.059 4.413 4.340 0.023 0.000 0.204 713 Q C 0.868 176.872 176.000 0.007 0.000 0.962 713 Q CA 1.369 57.175 55.803 0.005 0.000 0.879 713 Q CB 0.258 28.999 28.738 0.005 0.000 0.947 713 Q HN 0.176 nan 8.270 nan 0.000 0.462 714 G N 0.497 109.301 108.800 0.006 0.000 2.422 714 G HA2 -0.112 3.862 3.960 0.023 0.000 0.607 714 G HA3 -0.112 3.862 3.960 0.023 0.000 0.607 714 G C -1.771 173.135 174.900 0.010 0.000 1.270 714 G CA -0.234 44.870 45.100 0.008 0.000 0.992 714 G HN 0.342 nan 8.290 nan 0.000 0.499 715 E N -0.509 119.698 120.200 0.011 0.000 2.354 715 E HA 0.395 4.759 4.350 0.023 0.000 0.283 715 E C -0.521 176.079 176.600 -0.000 0.000 0.938 715 E CA -0.582 55.828 56.400 0.017 0.000 0.777 715 E CB 1.425 31.153 29.700 0.047 0.000 1.222 715 E HN 0.562 nan 8.360 nan 0.000 0.423 716 E N 1.145 121.337 120.200 -0.013 0.000 2.480 716 E HA 0.210 4.574 4.350 0.023 0.000 0.258 716 E C 0.616 177.181 176.600 -0.058 0.000 0.984 716 E CA 1.462 57.839 56.400 -0.038 0.000 0.930 716 E CB 0.576 30.250 29.700 -0.043 0.000 0.936 716 E HN 0.822 nan 8.360 nan 0.000 0.466 717 G N 3.365 112.117 108.800 -0.080 0.000 2.201 717 G HA2 -0.189 3.785 3.960 0.023 0.000 0.212 717 G HA3 -0.189 3.785 3.960 0.023 0.000 0.212 717 G C 0.048 174.902 174.900 -0.077 0.000 0.994 717 G CA -0.540 44.492 45.100 -0.112 0.000 0.644 717 G HN 0.434 nan 8.290 nan 0.000 0.508 718 I N 2.046 122.593 120.570 -0.039 0.000 2.355 718 I HA 0.492 4.676 4.170 0.023 0.000 0.288 718 I C 0.295 176.375 176.117 -0.062 0.000 0.999 718 I CA -1.034 60.251 61.300 -0.026 0.000 1.163 718 I CB 1.422 39.436 38.000 0.023 0.000 1.316 718 I HN -0.116 nan 8.210 nan 0.000 0.454 719 V N 7.269 127.110 119.914 -0.122 0.000 2.407 719 V HA 0.369 4.502 4.120 0.023 0.000 0.278 719 V C 0.185 176.224 176.094 -0.091 0.000 1.037 719 V CA -0.457 61.723 62.300 -0.200 0.000 0.900 719 V CB 1.320 32.874 31.823 -0.448 0.000 0.983 719 V HN 0.860 nan 8.190 nan 0.000 0.459 720 E N 4.502 124.721 120.200 0.031 0.000 2.308 720 E HA 0.862 5.226 4.350 0.023 0.000 0.275 720 E C -1.009 175.727 176.600 0.227 0.000 0.890 720 E CA -0.895 55.610 56.400 0.176 0.000 0.754 720 E CB 2.523 32.284 29.700 0.101 0.000 1.207 720 E HN 0.720 nan 8.360 nan 0.000 0.426 721 A N 2.294 125.291 122.820 0.295 0.000 2.602 721 A HA 0.399 4.733 4.320 0.023 0.000 0.290 721 A C -0.341 177.274 177.584 0.053 0.000 1.114 721 A CA -0.644 51.496 52.037 0.172 0.000 0.683 721 A CB 1.360 20.504 19.000 0.240 0.000 1.281 721 A HN 0.613 nan 8.150 nan 0.000 0.416 722 D N 0.452 120.857 120.400 0.009 0.000 2.178 722 D HA 0.016 4.670 4.640 0.023 0.000 0.201 722 D C 1.055 177.302 176.300 -0.089 0.000 0.980 722 D CA 2.287 56.270 54.000 -0.029 0.000 0.842 722 D CB 0.099 40.885 40.800 -0.023 0.000 0.948 722 D HN 0.730 nan 8.370 nan 0.000 0.472 723 S N -1.947 113.663 115.700 -0.150 0.000 2.638 723 S HA 0.636 5.119 4.470 0.023 0.000 0.274 723 S C 0.124 174.393 174.600 -0.552 0.000 1.157 723 S CA -0.302 57.739 58.200 -0.265 0.000 0.826 723 S CB 1.794 64.897 63.200 -0.162 0.000 1.139 723 S HN -0.074 nan 8.310 nan 0.000 0.474 724 A N 0.838 123.266 122.820 -0.652 0.000 2.276 724 A HA 0.249 4.582 4.320 0.023 0.000 0.212 724 A C 0.693 178.093 177.584 -0.307 0.000 1.230 724 A CA 0.531 51.980 52.037 -0.980 0.000 0.844 724 A CB -1.222 17.390 19.000 -0.647 0.000 0.860 724 A HN 0.898 nan 8.150 nan 0.000 0.486 725 D N -1.411 118.882 120.400 -0.178 0.000 2.440 725 D HA 0.438 5.092 4.640 0.023 0.000 0.269 725 D C 1.126 177.451 176.300 0.042 0.000 1.249 725 D CA 0.441 54.417 54.000 -0.039 0.000 1.055 725 D CB -0.197 40.576 40.800 -0.045 0.000 1.104 725 D HN 0.629 nan 8.370 nan 0.000 0.561 726 G N -0.033 108.791 108.800 0.040 0.000 2.634 726 G HA2 -0.339 3.635 3.960 0.023 0.000 0.309 726 G HA3 -0.339 3.635 3.960 0.023 0.000 0.309 726 G C 0.927 175.879 174.900 0.087 0.000 1.265 726 G CA 2.036 47.169 45.100 0.055 0.000 0.998 726 G HN 1.371 nan 8.290 nan 0.000 0.551 727 S N -0.095 115.660 115.700 0.092 0.000 2.603 727 S HA 0.243 4.726 4.470 0.023 0.000 0.220 727 S C 1.887 176.553 174.600 0.110 0.000 0.967 727 S CA 1.235 59.483 58.200 0.079 0.000 0.920 727 S CB -0.125 63.105 63.200 0.050 0.000 0.773 727 S HN 0.978 nan 8.310 nan 0.000 0.529 728 F N 2.441 122.389 119.950 -0.004 0.000 2.069 728 F HA -0.090 4.450 4.527 0.023 0.000 0.298 728 F C 2.251 178.048 175.800 -0.006 0.000 1.113 728 F CA 1.744 59.741 58.000 -0.004 0.000 1.214 728 F CB -0.206 38.792 39.000 -0.002 0.000 0.978 728 F HN 0.170 nan 8.300 nan 0.000 0.474 729 M N -0.012 119.719 119.600 0.218 0.000 2.288 729 M HA -0.131 4.362 4.480 0.023 0.000 0.266 729 M C 1.732 178.032 176.300 0.001 0.000 1.072 729 M CA 1.170 56.527 55.300 0.095 0.000 1.132 729 M CB -1.271 31.417 32.600 0.146 0.000 1.386 729 M HN 0.129 nan 8.290 nan 0.000 0.432 730 D N 0.563 120.971 120.400 0.014 0.000 2.144 730 D HA -0.151 4.502 4.640 0.023 0.000 0.199 730 D C 1.931 178.206 176.300 -0.042 0.000 0.984 730 D CA 1.185 55.179 54.000 -0.009 0.000 0.834 730 D CB -0.116 40.687 40.800 0.005 0.000 0.955 730 D HN 0.460 nan 8.370 nan 0.000 0.465 731 E N 0.258 120.417 120.200 -0.068 0.000 2.072 731 E HA -0.109 4.254 4.350 0.023 0.000 0.191 731 E C 2.058 178.574 176.600 -0.140 0.000 0.985 731 E CA 0.183 56.523 56.400 -0.101 0.000 0.801 731 E CB -0.034 29.595 29.700 -0.118 0.000 0.750 731 E HN 0.121 nan 8.360 nan 0.000 0.452 732 L N 1.000 122.104 121.223 -0.198 0.000 2.056 732 L HA -0.139 4.215 4.340 0.023 0.000 0.207 732 L C 1.968 178.767 176.870 -0.118 0.000 1.078 732 L CA 1.605 56.325 54.840 -0.201 0.000 0.749 732 L CB -0.587 41.314 42.059 -0.265 0.000 0.901 732 L HN 0.236 nan 8.230 nan 0.000 0.433 733 L N -0.407 120.767 121.223 -0.082 0.000 2.201 733 L HA -0.173 4.181 4.340 0.023 0.000 0.212 733 L C 2.426 179.269 176.870 -0.045 0.000 1.105 733 L CA 1.308 56.117 54.840 -0.050 0.000 0.775 733 L CB -0.645 41.396 42.059 -0.030 0.000 0.913 733 L HN 0.244 nan 8.230 nan 0.000 0.440 734 T N 0.049 114.572 114.554 -0.052 0.000 2.777 734 T HA -0.115 4.248 4.350 0.023 0.000 0.266 734 T C 1.935 176.602 174.700 -0.056 0.000 1.040 734 T CA 1.118 63.193 62.100 -0.042 0.000 1.141 734 T CB -0.132 68.711 68.868 -0.042 0.000 0.868 734 T HN 0.185 nan 8.240 nan 0.000 0.444 735 L N 0.260 121.432 121.223 -0.086 0.000 2.093 735 L HA -0.020 4.333 4.340 0.023 0.000 0.208 735 L C 2.666 179.470 176.870 -0.111 0.000 1.085 735 L CA 1.168 55.937 54.840 -0.118 0.000 0.755 735 L CB -0.494 41.475 42.059 -0.150 0.000 0.904 735 L HN 0.286 nan 8.230 nan 0.000 0.435 736 M N -0.795 118.756 119.600 -0.081 0.000 2.229 736 M HA -0.168 4.326 4.480 0.023 0.000 0.264 736 M C 2.470 178.769 176.300 -0.001 0.000 1.063 736 M CA 1.637 56.906 55.300 -0.050 0.000 1.114 736 M CB -0.434 32.145 32.600 -0.034 0.000 1.387 736 M HN 0.331 nan 8.290 nan 0.000 0.420 737 A N 0.264 123.084 122.820 0.000 0.000 1.972 737 A HA 0.008 4.342 4.320 0.023 0.000 0.219 737 A C 2.159 179.781 177.584 0.063 0.000 1.169 737 A CA 1.724 53.782 52.037 0.034 0.000 0.635 737 A CB -0.664 18.350 19.000 0.024 0.000 0.810 737 A HN 0.500 nan 8.150 nan 0.000 0.446 738 A N -2.586 120.246 122.820 0.021 0.000 2.238 738 A HA 0.311 4.645 4.320 0.023 0.000 0.208 738 A C 0.968 178.564 177.584 0.020 0.000 1.177 738 A CA 1.421 53.479 52.037 0.035 0.000 0.804 738 A CB -0.531 18.452 19.000 -0.029 0.000 0.823 738 A HN 1.050 nan 8.150 nan 0.000 0.482 739 H N -1.612 117.393 119.070 -0.109 0.000 4.823 739 H HA -0.182 4.388 4.556 0.023 0.000 0.064 739 H C 0.096 175.216 175.328 -0.347 0.000 0.599 739 H CA 2.318 58.291 56.048 -0.126 0.000 0.956 739 H CB -0.626 29.168 29.762 0.053 0.000 0.432 739 H HN 0.461 nan 8.280 nan 0.000 0.798 740 R N -0.397 119.523 120.500 -0.967 0.000 2.855 740 R HA 0.647 5.000 4.340 0.023 0.000 0.266 740 R C -0.653 174.789 176.300 -1.429 0.000 1.034 740 R CA -0.285 55.022 56.100 -1.322 0.000 0.944 740 R CB 1.611 30.817 30.300 -1.823 0.000 1.219 740 R HN 0.070 nan 8.270 nan 0.000 0.474 741 V N 2.107 121.393 119.914 -1.048 0.000 2.184 741 V HA 0.126 4.260 4.120 0.023 0.000 0.262 741 V C 0.650 176.386 176.094 -0.597 0.000 1.209 741 V CA -0.483 61.398 62.300 -0.699 0.000 1.070 741 V CB -0.221 31.336 31.823 -0.443 0.000 1.244 741 V HN 0.703 nan 8.190 nan 0.000 0.477 742 W N 1.409 122.429 121.300 -0.466 0.000 2.350 742 W HA -0.198 4.476 4.660 0.023 0.000 0.289 742 W C 2.511 178.810 176.519 -0.367 0.000 1.215 742 W CA 0.906 57.879 57.345 -0.619 0.000 1.236 742 W CB -0.369 28.364 29.460 -1.212 0.000 1.130 742 W HN 0.640 nan 8.180 nan 0.000 0.541 743 S N 0.701 116.352 115.700 -0.082 0.000 2.547 743 S HA -0.142 4.341 4.470 0.023 0.000 0.235 743 S C 1.652 176.216 174.600 -0.061 0.000 0.980 743 S CA 0.873 59.046 58.200 -0.046 0.000 0.941 743 S CB -0.400 62.774 63.200 -0.043 0.000 0.763 743 S HN 0.417 nan 8.310 nan 0.000 0.532 744 R N 0.622 121.048 120.500 -0.124 0.000 2.297 744 R HA 0.288 4.641 4.340 0.023 0.000 0.197 744 R C 1.696 177.933 176.300 -0.105 0.000 0.943 744 R CA 0.227 56.233 56.100 -0.155 0.000 1.038 744 R CB -0.279 29.823 30.300 -0.330 0.000 0.957 744 R HN 0.476 nan 8.270 nan 0.000 0.484 745 I N 1.710 122.256 120.570 -0.040 0.000 2.163 745 I HA -0.213 3.970 4.170 0.023 0.000 0.243 745 I C -0.766 175.377 176.117 0.043 0.000 1.085 745 I CA 1.319 62.636 61.300 0.028 0.000 1.347 745 I CB -1.080 36.977 38.000 0.096 0.000 1.044 745 I HN 0.149 nan 8.210 nan 0.000 0.408 746 P HA -0.158 nan 4.420 nan 0.000 0.218 746 P C 1.266 178.596 177.300 0.051 0.000 1.148 746 P CA 1.427 64.556 63.100 0.050 0.000 0.822 746 P CB -0.006 31.720 31.700 0.043 0.000 0.784 747 K N -0.406 120.021 120.400 0.045 0.000 2.288 747 K HA -0.015 4.319 4.320 0.023 0.000 0.201 747 K C 1.972 178.638 176.600 0.111 0.000 1.048 747 K CA 0.828 57.164 56.287 0.082 0.000 0.956 747 K CB -0.619 31.950 32.500 0.116 0.000 0.746 747 K HN 0.316 nan 8.250 nan 0.000 0.461 748 I N -2.197 118.408 120.570 0.059 0.000 2.716 748 I HA -0.042 4.142 4.170 0.023 0.000 0.259 748 I C 1.321 177.483 176.117 0.077 0.000 1.172 748 I CA 1.076 62.415 61.300 0.065 0.000 1.478 748 I CB -0.056 37.933 38.000 -0.018 0.000 1.104 748 I HN -0.127 nan 8.210 nan 0.000 0.439 749 D N 2.525 122.969 120.400 0.074 0.000 2.172 749 D HA -0.236 4.417 4.640 0.023 0.000 0.196 749 D C 2.056 178.397 176.300 0.069 0.000 0.999 749 D CA 2.201 56.246 54.000 0.075 0.000 0.856 749 D CB 0.045 40.889 40.800 0.073 0.000 0.934 749 D HN 0.616 nan 8.370 nan 0.000 0.453 750 K N 0.636 121.077 120.400 0.068 0.000 2.137 750 K HA 0.023 4.356 4.320 0.023 0.000 0.202 750 K C 1.235 177.868 176.600 0.055 0.000 1.052 750 K CA 0.278 56.599 56.287 0.058 0.000 0.961 750 K CB -0.746 31.785 32.500 0.051 0.000 0.741 750 K HN 0.321 nan 8.250 nan 0.000 0.452 751 I N 3.038 123.647 120.570 0.065 0.000 2.683 751 I HA 0.112 4.296 4.170 0.023 0.000 0.286 751 I C -2.152 173.994 176.117 0.048 0.000 1.175 751 I CA -1.968 59.362 61.300 0.051 0.000 1.429 751 I CB 0.577 38.616 38.000 0.065 0.000 1.371 751 I HN 0.084 nan 8.210 nan 0.000 0.569 752 P HA 0.378 nan 4.420 nan 0.000 0.256 752 P C -0.904 176.451 177.300 0.091 0.000 1.689 752 P CA -0.068 63.068 63.100 0.059 0.000 1.124 752 P CB 0.448 32.178 31.700 0.050 0.000 1.766 753 A N 0.000 122.873 122.820 0.088 0.000 2.254 753 A HA 0.000 4.334 4.320 0.023 0.000 0.244 753 A CA 0.000 52.125 52.037 0.146 0.000 0.836 753 A CB 0.000 18.990 19.000 -0.017 0.000 0.831 753 A HN 0.000 nan 8.150 nan 0.000 0.486