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 1ggj_1_C DATA FIRST_RESID 27 DATA SEQUENCE DSLAPEDGSH RPAAEPTPPG AQPTAPGSLK APDTRNEKLN SLEDVRKGSE DATA SEQUENCE NYALTTNQGV RIADDQNSLR AGSRGPTLLE DFILREKITH FDHERIPERI DATA SEQUENCE VHARGSAAHG YFQPYKSLSD ITKADFLSDP NKITPVFVRF STVQGGAGSA DATA SEQUENCE DTVRDIRGFA TKFYTEEGIF DLVGANTPIF 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 0.000 176.280 176.300 -0.033 0.000 2.045 27 D CA 0.000 53.984 54.000 -0.027 0.000 0.868 27 D CB 0.000 40.785 40.800 -0.024 0.000 0.688 28 S N -0.243 115.432 115.700 -0.041 0.000 3.082 28 S HA 0.331 4.831 4.470 0.051 0.000 0.253 28 S C 1.143 175.705 174.600 -0.064 0.000 0.961 28 S CA -0.232 57.940 58.200 -0.047 0.000 1.129 28 S CB -0.121 63.059 63.200 -0.034 0.000 1.083 28 S HN 0.133 nan 8.310 nan 0.000 0.605 29 L N 1.279 122.459 121.223 -0.071 0.000 2.027 29 L HA 0.162 4.532 4.340 0.051 0.000 0.206 29 L C 1.672 178.464 176.870 -0.131 0.000 1.074 29 L CA 1.109 55.901 54.840 -0.080 0.000 0.745 29 L CB -0.943 41.078 42.059 -0.064 0.000 0.898 29 L HN 0.455 nan 8.230 nan 0.000 0.433 30 A N 0.893 123.582 122.820 -0.217 0.000 2.466 30 A HA 0.286 4.637 4.320 0.051 0.000 0.238 30 A C -2.024 175.406 177.584 -0.256 0.000 1.074 30 A CA -0.942 50.837 52.037 -0.429 0.000 0.774 30 A CB -0.620 17.881 19.000 -0.832 0.000 1.015 30 A HN 0.052 nan 8.150 nan 0.000 0.498 31 P HA 0.144 nan 4.420 nan 0.000 0.271 31 P C 0.147 177.427 177.300 -0.032 0.000 1.218 31 P CA -0.035 63.028 63.100 -0.063 0.000 0.780 31 P CB 0.862 32.566 31.700 0.006 0.000 0.901 32 E N 1.445 121.638 120.200 -0.010 0.000 2.150 32 E HA -0.187 4.194 4.350 0.051 0.000 0.193 32 E C 1.120 177.740 176.600 0.033 0.000 0.985 32 E CA 1.404 57.808 56.400 0.006 0.000 0.814 32 E CB -0.480 29.220 29.700 0.000 0.000 0.752 32 E HN 0.501 nan 8.360 nan 0.000 0.466 33 D N -1.180 119.244 120.400 0.040 0.000 2.378 33 D HA 0.006 4.676 4.640 0.051 0.000 0.227 33 D C 1.230 177.577 176.300 0.079 0.000 1.012 33 D CA 0.834 54.864 54.000 0.048 0.000 0.905 33 D CB -0.451 40.371 40.800 0.037 0.000 0.895 33 D HN 0.231 nan 8.370 nan 0.000 0.532 34 G N 0.436 109.322 108.800 0.144 0.000 2.168 34 G HA2 -0.366 3.625 3.960 0.051 0.000 0.257 34 G HA3 -0.366 3.625 3.960 0.051 0.000 0.257 34 G C 1.008 176.008 174.900 0.166 0.000 0.997 34 G CA 0.930 46.166 45.100 0.226 0.000 0.708 34 G HN 0.720 nan 8.290 nan 0.000 0.520 35 S N 0.379 116.180 115.700 0.169 0.000 2.603 35 S HA -0.038 4.462 4.470 0.051 0.000 0.229 35 S C 1.862 176.527 174.600 0.108 0.000 0.972 35 S CA 1.168 59.424 58.200 0.094 0.000 0.935 35 S CB -0.503 62.740 63.200 0.071 0.000 0.769 35 S HN 0.948 nan 8.310 nan 0.000 0.536 36 H N 0.891 119.968 119.070 0.012 0.000 2.535 36 H HA 0.298 4.884 4.556 0.050 0.000 0.273 36 H C 0.780 176.120 175.328 0.020 0.000 0.983 36 H CA 0.084 56.141 56.048 0.014 0.000 1.238 36 H CB -0.270 29.499 29.762 0.012 0.000 1.412 36 H HN 0.403 nan 8.280 nan 0.000 0.562 37 R N 2.316 122.511 120.500 -0.508 0.000 2.295 37 R HA 0.349 4.720 4.340 0.051 0.000 0.324 37 R C -2.691 173.518 176.300 -0.153 0.000 0.968 37 R CA -1.982 53.895 56.100 -0.372 0.000 0.837 37 R CB 1.080 31.065 30.300 -0.525 0.000 1.133 37 R HN 0.052 nan 8.270 nan 0.000 0.450 38 P HA 0.101 nan 4.420 nan 0.000 0.271 38 P C -0.901 176.389 177.300 -0.016 0.000 1.216 38 P CA -0.301 62.788 63.100 -0.018 0.000 0.771 38 P CB 1.109 32.823 31.700 0.023 0.000 0.864 39 A N 3.143 125.959 122.820 -0.007 0.000 2.565 39 A HA 0.333 4.684 4.320 0.051 0.000 0.237 39 A C 0.933 178.525 177.584 0.012 0.000 1.053 39 A CA 0.266 52.302 52.037 -0.001 0.000 0.755 39 A CB -0.434 18.569 19.000 0.004 0.000 0.980 39 A HN 0.591 nan 8.150 nan 0.000 0.506 40 A N 3.167 125.994 122.820 0.011 0.000 3.168 40 A HA 0.519 4.870 4.320 0.051 0.000 0.260 40 A C 0.290 177.888 177.584 0.024 0.000 1.598 40 A CA 0.140 52.190 52.037 0.021 0.000 1.285 40 A CB -0.795 18.215 19.000 0.016 0.000 1.149 40 A HN 0.925 nan 8.150 nan 0.000 0.630 41 E N -0.717 119.500 120.200 0.028 0.000 2.401 41 E HA 0.425 4.806 4.350 0.051 0.000 0.280 41 E C -3.287 173.332 176.600 0.032 0.000 1.039 41 E CA -2.426 53.993 56.400 0.030 0.000 0.814 41 E CB 0.570 30.284 29.700 0.022 0.000 1.275 41 E HN 0.033 nan 8.360 nan 0.000 0.448 42 P HA 0.049 nan 4.420 nan 0.000 0.262 42 P C -0.745 176.559 177.300 0.007 0.000 1.199 42 P CA 0.454 63.566 63.100 0.019 0.000 0.763 42 P CB 0.299 32.001 31.700 0.002 0.000 0.790 43 T N 1.571 116.126 114.554 0.001 0.000 2.900 43 T HA 0.635 5.015 4.350 0.051 0.000 0.295 43 T C -2.917 171.752 174.700 -0.050 0.000 1.044 43 T CA -2.818 59.276 62.100 -0.010 0.000 0.995 43 T CB 1.728 70.596 68.868 -0.000 0.000 1.072 43 T HN 0.036 nan 8.240 nan 0.000 0.473 44 P HA 0.315 nan 4.420 nan 0.000 0.272 44 P C -2.752 174.403 177.300 -0.243 0.000 1.230 44 P CA -1.574 61.368 63.100 -0.263 0.000 0.788 44 P CB -0.984 30.600 31.700 -0.194 0.000 0.949 45 P HA 0.042 nan 4.420 nan 0.000 0.261 45 P C 1.072 178.317 177.300 -0.092 0.000 1.183 45 P CA 1.444 64.439 63.100 -0.175 0.000 0.761 45 P CB -0.348 31.247 31.700 -0.175 0.000 0.785 46 G N 2.907 111.687 108.800 -0.033 0.000 2.195 46 G HA2 -0.319 3.672 3.960 0.051 0.000 0.246 46 G HA3 -0.319 3.672 3.960 0.051 0.000 0.246 46 G C 1.093 175.989 174.900 -0.006 0.000 0.984 46 G CA 0.347 45.442 45.100 -0.009 0.000 0.633 46 G HN 0.669 nan 8.290 nan 0.000 0.525 47 A N -1.186 121.625 122.820 -0.015 0.000 1.970 47 A HA 0.459 4.810 4.320 0.051 0.000 0.216 47 A C 1.302 178.888 177.584 0.003 0.000 1.170 47 A CA 1.911 53.944 52.037 -0.007 0.000 0.645 47 A CB 0.032 19.023 19.000 -0.014 0.000 0.816 47 A HN 0.482 nan 8.150 nan 0.000 0.447 48 Q N -1.022 118.784 119.800 0.009 0.000 2.456 48 Q HA 0.432 4.803 4.340 0.051 0.000 0.284 48 Q C -3.023 172.993 176.000 0.027 0.000 1.061 48 Q CA -2.065 53.749 55.803 0.018 0.000 0.799 48 Q CB 1.090 29.842 28.738 0.023 0.000 1.445 48 Q HN 0.059 nan 8.270 nan 0.000 0.411 49 P HA 0.062 nan 4.420 nan 0.000 0.271 49 P C -0.186 177.148 177.300 0.056 0.000 1.216 49 P CA 0.008 63.126 63.100 0.029 0.000 0.776 49 P CB 0.240 31.955 31.700 0.024 0.000 0.881 50 T N -0.240 114.351 114.554 0.061 0.000 2.813 50 T HA 0.586 4.967 4.350 0.051 0.000 0.297 50 T C 0.029 174.825 174.700 0.159 0.000 1.036 50 T CA -0.454 61.734 62.100 0.147 0.000 1.044 50 T CB 0.599 69.513 68.868 0.076 0.000 0.993 50 T HN 0.576 nan 8.240 nan 0.000 0.535 51 A N 1.763 124.771 122.820 0.313 0.000 2.594 51 A HA 0.773 5.123 4.320 0.051 0.000 0.291 51 A C -3.035 174.816 177.584 0.446 0.000 1.105 51 A CA -2.069 50.130 52.037 0.269 0.000 0.694 51 A CB 0.653 19.758 19.000 0.174 0.000 1.291 51 A HN 0.667 nan 8.150 nan 0.000 0.410 52 P HA 0.093 nan 4.420 nan 0.000 0.262 52 P C 1.282 178.734 177.300 0.253 0.000 1.182 52 P CA 1.071 64.389 63.100 0.364 0.000 0.761 52 P CB 0.441 32.276 31.700 0.224 0.000 0.795 53 G N 3.181 112.095 108.800 0.191 0.000 2.556 53 G HA2 -0.353 3.638 3.960 0.051 0.000 0.220 53 G HA3 -0.353 3.638 3.960 0.051 0.000 0.220 53 G C 1.559 176.472 174.900 0.021 0.000 1.156 53 G CA 1.327 46.440 45.100 0.020 0.000 0.766 53 G HN 0.597 nan 8.290 nan 0.000 0.583 54 S N -0.264 115.454 115.700 0.029 0.000 2.522 54 S HA 0.210 4.710 4.470 0.051 0.000 0.227 54 S C 2.206 176.823 174.600 0.029 0.000 0.986 54 S CA 0.655 58.859 58.200 0.007 0.000 0.929 54 S CB -0.086 63.108 63.200 -0.009 0.000 0.769 54 S HN 0.326 nan 8.310 nan 0.000 0.529 55 L N 0.051 121.308 121.223 0.057 0.000 2.202 55 L HA 0.230 4.601 4.340 0.051 0.000 0.205 55 L C 2.692 179.593 176.870 0.052 0.000 1.083 55 L CA 0.912 55.785 54.840 0.055 0.000 0.790 55 L CB -0.327 41.775 42.059 0.071 0.000 0.942 55 L HN 0.263 nan 8.230 nan 0.000 0.452 56 K N 1.379 121.821 120.400 0.070 0.000 2.057 56 K HA -0.019 4.332 4.320 0.051 0.000 0.206 56 K C 0.660 177.287 176.600 0.045 0.000 1.050 56 K CA 1.443 57.770 56.287 0.067 0.000 0.935 56 K CB 0.052 32.610 32.500 0.096 0.000 0.715 56 K HN 0.154 nan 8.250 nan 0.000 0.439 57 A N 0.655 123.493 122.820 0.031 0.000 3.216 57 A HA 0.359 4.710 4.320 0.051 0.000 0.321 57 A C -2.221 175.365 177.584 0.004 0.000 1.042 57 A CA -1.077 50.974 52.037 0.024 0.000 0.838 57 A CB 0.709 19.727 19.000 0.029 0.000 1.136 57 A HN 0.149 nan 8.150 nan 0.000 0.483 58 P HA -0.124 nan 4.420 nan 0.000 0.218 58 P C 0.333 177.625 177.300 -0.013 0.000 1.149 58 P CA 1.184 64.281 63.100 -0.004 0.000 0.817 58 P CB 0.327 32.028 31.700 0.003 0.000 0.785 59 D N -0.844 119.552 120.400 -0.005 0.000 2.323 59 D HA -0.007 4.664 4.640 0.051 0.000 0.209 59 D C 0.449 176.735 176.300 -0.024 0.000 0.973 59 D CA 0.681 54.675 54.000 -0.011 0.000 0.874 59 D CB -0.468 40.332 40.800 0.001 0.000 0.930 59 D HN 0.152 nan 8.370 nan 0.000 0.521 60 T N 2.853 117.391 114.554 -0.027 0.000 2.870 60 T HA 0.243 4.624 4.350 0.051 0.000 0.300 60 T C 0.634 175.289 174.700 -0.075 0.000 0.989 60 T CA -0.200 61.869 62.100 -0.052 0.000 1.139 60 T CB 1.123 69.956 68.868 -0.058 0.000 0.920 60 T HN 0.138 nan 8.240 nan 0.000 0.537 61 R N 1.758 122.204 120.500 -0.090 0.000 2.781 61 R HA 0.617 4.988 4.340 0.051 0.000 0.269 61 R C -1.452 174.786 176.300 -0.104 0.000 1.025 61 R CA -0.984 55.058 56.100 -0.097 0.000 0.914 61 R CB 1.069 31.320 30.300 -0.081 0.000 1.236 61 R HN 0.734 nan 8.270 nan 0.000 0.465 62 N N -1.774 116.868 118.700 -0.095 0.000 3.116 62 N HA 0.088 4.858 4.740 0.051 0.000 0.244 62 N C 0.018 175.484 175.510 -0.073 0.000 1.485 62 N CA -0.444 52.562 53.050 -0.072 0.000 0.884 62 N CB 0.639 39.114 38.487 -0.020 0.000 1.415 62 N HN 0.720 nan 8.380 nan 0.000 0.524 63 E N -0.189 119.983 120.200 -0.047 0.000 2.110 63 E HA -0.239 4.142 4.350 0.051 0.000 0.193 63 E C 1.058 177.590 176.600 -0.113 0.000 0.988 63 E CA 1.380 57.746 56.400 -0.056 0.000 0.804 63 E CB 0.071 29.762 29.700 -0.014 0.000 0.745 63 E HN 0.478 nan 8.360 nan 0.000 0.458 64 K N 0.771 121.069 120.400 -0.169 0.000 2.057 64 K HA -0.077 4.273 4.320 0.051 0.000 0.206 64 K C 2.081 178.522 176.600 -0.264 0.000 1.050 64 K CA 1.179 57.272 56.287 -0.324 0.000 0.935 64 K CB -0.397 31.759 32.500 -0.573 0.000 0.715 64 K HN 0.199 nan 8.250 nan 0.000 0.439 65 L N 0.857 121.943 121.223 -0.229 0.000 2.131 65 L HA -0.187 4.184 4.340 0.051 0.000 0.210 65 L C 1.732 178.493 176.870 -0.182 0.000 1.092 65 L CA 1.131 55.813 54.840 -0.265 0.000 0.759 65 L CB -0.557 41.338 42.059 -0.274 0.000 0.903 65 L HN 0.236 nan 8.230 nan 0.000 0.435 66 N N -0.364 118.252 118.700 -0.139 0.000 2.142 66 N HA -0.141 4.629 4.740 0.051 0.000 0.186 66 N C 2.067 177.519 175.510 -0.097 0.000 1.023 66 N CA 1.620 54.609 53.050 -0.101 0.000 0.852 66 N CB -0.451 37.989 38.487 -0.078 0.000 0.998 66 N HN 0.346 nan 8.380 nan 0.000 0.424 67 S N 0.419 116.051 115.700 -0.114 0.000 2.474 67 S HA 0.045 4.545 4.470 0.051 0.000 0.235 67 S C 1.843 176.380 174.600 -0.105 0.000 0.997 67 S CA 0.399 58.538 58.200 -0.102 0.000 0.949 67 S CB -0.486 62.648 63.200 -0.110 0.000 0.766 67 S HN 0.223 nan 8.310 nan 0.000 0.517 68 L N 0.766 121.912 121.223 -0.128 0.000 2.478 68 L HA 0.133 4.503 4.340 0.051 0.000 0.223 68 L C 2.725 179.547 176.870 -0.082 0.000 1.140 68 L CA 0.734 55.506 54.840 -0.113 0.000 0.842 68 L CB -0.428 41.544 42.059 -0.144 0.000 0.953 68 L HN 0.283 nan 8.230 nan 0.000 0.452 69 E N 1.265 121.420 120.200 -0.075 0.000 2.130 69 E HA -0.276 4.105 4.350 0.051 0.000 0.196 69 E C 1.609 178.186 176.600 -0.037 0.000 0.998 69 E CA 1.757 58.126 56.400 -0.052 0.000 0.806 69 E CB -0.085 29.587 29.700 -0.047 0.000 0.738 69 E HN 0.607 nan 8.360 nan 0.000 0.459 70 D N -0.650 119.727 120.400 -0.038 0.000 2.263 70 D HA -0.141 4.529 4.640 0.051 0.000 0.208 70 D C 1.690 177.975 176.300 -0.026 0.000 0.971 70 D CA 1.461 55.444 54.000 -0.029 0.000 0.867 70 D CB -0.406 40.376 40.800 -0.030 0.000 0.929 70 D HN 0.307 nan 8.370 nan 0.000 0.492 71 V N -3.423 116.473 119.914 -0.029 0.000 3.643 71 V HA 0.303 4.453 4.120 0.051 0.000 0.280 71 V C 0.857 176.943 176.094 -0.014 0.000 1.351 71 V CA -0.616 61.672 62.300 -0.020 0.000 1.073 71 V CB -0.580 31.232 31.823 -0.019 0.000 0.863 71 V HN -0.140 nan 8.190 nan 0.000 0.436 72 R N 2.988 123.478 120.500 -0.017 0.000 2.590 72 R HA 0.411 4.781 4.340 0.051 0.000 0.274 72 R C -0.206 176.094 176.300 -0.001 0.000 1.061 72 R CA 0.148 56.245 56.100 -0.004 0.000 1.081 72 R CB 0.505 30.802 30.300 -0.005 0.000 0.984 72 R HN 0.640 nan 8.270 nan 0.000 0.448 73 K N 0.585 120.989 120.400 0.006 0.000 2.371 73 K HA 0.479 4.830 4.320 0.051 0.000 0.251 73 K C -0.134 176.480 176.600 0.024 0.000 0.934 73 K CA -0.969 55.312 56.287 -0.010 0.000 0.798 73 K CB 2.289 34.761 32.500 -0.047 0.000 1.204 73 K HN 0.579 nan 8.250 nan 0.000 0.427 74 G N 0.362 109.191 108.800 0.049 0.000 2.666 74 G HA2 0.347 4.337 3.960 0.051 0.000 0.207 74 G HA3 0.347 4.337 3.960 0.051 0.000 0.207 74 G C 0.389 175.382 174.900 0.155 0.000 1.481 74 G CA 0.227 45.407 45.100 0.133 0.000 1.071 74 G HN 0.855 nan 8.290 nan 0.000 0.572 75 S N -2.922 112.953 115.700 0.291 0.000 1.773 75 S HA 0.054 4.554 4.470 0.051 0.000 0.203 75 S C 0.140 174.903 174.600 0.271 0.000 0.762 75 S CA -0.016 58.360 58.200 0.293 0.000 1.503 75 S CB -0.285 63.000 63.200 0.142 0.000 0.926 75 S HN 0.469 nan 8.310 nan 0.000 0.380 76 E N 2.775 123.063 120.200 0.147 0.000 2.465 76 E HA 0.241 4.622 4.350 0.051 0.000 0.260 76 E C -0.174 176.358 176.600 -0.112 0.000 0.980 76 E CA 0.321 56.741 56.400 0.033 0.000 0.927 76 E CB 0.089 29.797 29.700 0.013 0.000 0.934 76 E HN 0.418 nan 8.360 nan 0.000 0.459 77 N N 0.950 119.590 118.700 -0.101 0.000 2.909 77 N HA -0.211 4.559 4.740 0.051 0.000 0.242 77 N C -1.149 174.226 175.510 -0.226 0.000 0.975 77 N CA 1.106 54.046 53.050 -0.183 0.000 0.921 77 N CB -1.294 37.032 38.487 -0.268 0.000 1.112 77 N HN 0.379 nan 8.380 nan 0.000 0.581 78 Y N 0.600 120.907 120.300 0.010 0.000 2.419 78 Y HA 0.652 5.234 4.550 0.052 0.000 0.328 78 Y C 0.915 176.819 175.900 0.006 0.000 1.162 78 Y CA -0.538 57.567 58.100 0.008 0.000 1.174 78 Y CB 1.041 39.506 38.460 0.009 0.000 1.228 78 Y HN 0.108 nan 8.280 nan 0.000 0.473 79 A N 2.350 125.287 122.820 0.194 0.000 2.371 79 A HA 0.426 4.776 4.320 0.051 0.000 0.257 79 A C -0.790 176.843 177.584 0.082 0.000 1.089 79 A CA -0.558 51.540 52.037 0.102 0.000 0.794 79 A CB 0.127 19.172 19.000 0.076 0.000 1.029 79 A HN 0.713 nan 8.150 nan 0.000 0.488 80 L N 3.071 124.324 121.223 0.049 0.000 2.418 80 L HA 0.457 4.827 4.340 0.051 0.000 0.274 80 L C 0.690 177.569 176.870 0.016 0.000 1.135 80 L CA 1.134 55.989 54.840 0.026 0.000 0.870 80 L CB 0.071 42.137 42.059 0.012 0.000 1.154 80 L HN 0.896 nan 8.230 nan 0.000 0.462 81 T N 0.556 115.114 114.554 0.007 0.000 2.888 81 T HA 0.715 5.095 4.350 0.051 0.000 0.288 81 T C 0.251 174.953 174.700 0.003 0.000 1.063 81 T CA -0.164 61.941 62.100 0.010 0.000 1.010 81 T CB 1.106 69.980 68.868 0.011 0.000 1.214 81 T HN 0.744 nan 8.240 nan 0.000 0.533 82 T N 0.133 114.703 114.554 0.027 0.000 2.732 82 T HA 0.272 4.652 4.350 0.051 0.000 0.287 82 T C 1.058 175.773 174.700 0.026 0.000 0.993 82 T CA -0.661 61.463 62.100 0.040 0.000 0.966 82 T CB 0.017 68.952 68.868 0.111 0.000 1.047 82 T HN 0.557 nan 8.240 nan 0.000 0.527 83 N N 0.410 119.127 118.700 0.028 0.000 2.453 83 N HA -0.067 4.704 4.740 0.051 0.000 0.183 83 N C 1.517 177.044 175.510 0.028 0.000 1.041 83 N CA 0.627 53.686 53.050 0.016 0.000 0.900 83 N CB -0.176 38.329 38.487 0.029 0.000 0.961 83 N HN 0.552 nan 8.380 nan 0.000 0.443 84 Q N -0.510 119.319 119.800 0.048 0.000 2.320 84 Q HA 0.205 4.576 4.340 0.051 0.000 0.201 84 Q C 0.732 176.751 176.000 0.032 0.000 0.910 84 Q CA 0.135 55.961 55.803 0.038 0.000 0.946 84 Q CB 0.456 29.222 28.738 0.045 0.000 1.062 84 Q HN 0.398 nan 8.270 nan 0.000 0.503 85 G N 0.400 109.218 108.800 0.030 0.000 2.141 85 G HA2 -0.232 3.759 3.960 0.051 0.000 0.242 85 G HA3 -0.232 3.759 3.960 0.051 0.000 0.242 85 G C 0.067 174.991 174.900 0.041 0.000 0.982 85 G CA 0.100 45.214 45.100 0.023 0.000 0.662 85 G HN 0.219 nan 8.290 nan 0.000 0.527 86 V N 1.926 121.881 119.914 0.068 0.000 2.406 86 V HA 0.368 4.518 4.120 0.051 0.000 0.272 86 V C 1.314 177.448 176.094 0.066 0.000 1.043 86 V CA -0.676 61.677 62.300 0.087 0.000 0.915 86 V CB 1.047 32.969 31.823 0.165 0.000 0.988 86 V HN 0.412 nan 8.190 nan 0.000 0.466 87 R N 4.359 124.890 120.500 0.052 0.000 2.640 87 R HA 0.290 4.661 4.340 0.051 0.000 0.270 87 R C -0.485 175.829 176.300 0.025 0.000 1.024 87 R CA 0.066 56.187 56.100 0.036 0.000 1.085 87 R CB 0.452 30.773 30.300 0.035 0.000 0.963 87 R HN 0.575 nan 8.270 nan 0.000 0.426 88 I N 1.964 122.537 120.570 0.005 0.000 2.359 88 I HA 0.129 4.330 4.170 0.051 0.000 0.294 88 I C 0.938 177.046 176.117 -0.016 0.000 0.987 88 I CA -0.032 61.255 61.300 -0.022 0.000 1.225 88 I CB 1.877 39.855 38.000 -0.038 0.000 1.366 88 I HN 0.770 nan 8.210 nan 0.000 0.466 89 A N 4.093 126.899 122.820 -0.023 0.000 1.887 89 A HA 0.019 4.369 4.320 0.051 0.000 0.212 89 A C 0.691 178.260 177.584 -0.025 0.000 1.198 89 A CA 0.876 52.903 52.037 -0.017 0.000 0.628 89 A CB 0.065 19.058 19.000 -0.012 0.000 0.847 89 A HN 0.673 nan 8.150 nan 0.000 0.449 90 D N -0.393 119.983 120.400 -0.039 0.000 2.454 90 D HA 0.354 5.025 4.640 0.051 0.000 0.247 90 D C -1.300 174.969 176.300 -0.052 0.000 1.129 90 D CA -0.339 53.637 54.000 -0.040 0.000 0.877 90 D CB 1.221 41.997 40.800 -0.040 0.000 1.082 90 D HN 0.100 nan 8.370 nan 0.000 0.537 91 D N 2.017 122.390 120.400 -0.045 0.000 2.395 91 D HA 0.052 4.723 4.640 0.051 0.000 0.226 91 D C 0.623 176.893 176.300 -0.050 0.000 1.146 91 D CA 0.226 54.195 54.000 -0.051 0.000 0.830 91 D CB 0.490 41.265 40.800 -0.042 0.000 0.958 91 D HN 0.213 nan 8.370 nan 0.000 0.501 92 Q N -0.612 119.160 119.800 -0.047 0.000 2.246 92 Q HA 0.264 4.635 4.340 0.051 0.000 0.222 92 Q C -0.145 175.826 176.000 -0.048 0.000 0.851 92 Q CA 0.199 55.975 55.803 -0.045 0.000 0.945 92 Q CB 0.771 29.487 28.738 -0.036 0.000 1.122 92 Q HN 0.225 nan 8.270 nan 0.000 0.508 93 N N -0.038 118.631 118.700 -0.051 0.000 2.357 93 N HA 0.341 5.111 4.740 0.051 0.000 0.284 93 N C -0.970 174.504 175.510 -0.059 0.000 1.236 93 N CA -0.315 52.705 53.050 -0.050 0.000 0.774 93 N CB 2.029 40.492 38.487 -0.041 0.000 1.534 93 N HN -0.197 nan 8.380 nan 0.000 0.478 94 S N 0.665 116.333 115.700 -0.053 0.000 2.610 94 S HA 0.350 4.850 4.470 0.051 0.000 0.273 94 S C 0.014 174.586 174.600 -0.046 0.000 1.274 94 S CA -0.609 57.559 58.200 -0.054 0.000 1.023 94 S CB 0.931 64.106 63.200 -0.043 0.000 0.962 94 S HN 0.387 nan 8.310 nan 0.000 0.523 95 L N 3.875 125.070 121.223 -0.047 0.000 2.313 95 L HA 0.424 4.795 4.340 0.051 0.000 0.282 95 L C 0.068 176.928 176.870 -0.017 0.000 1.092 95 L CA 0.402 55.223 54.840 -0.032 0.000 0.831 95 L CB -0.142 41.899 42.059 -0.031 0.000 1.159 95 L HN 0.731 nan 8.230 nan 0.000 0.442 96 R N 4.158 124.650 120.500 -0.013 0.000 2.836 96 R HA 0.845 5.215 4.340 0.051 0.000 0.269 96 R C -1.085 175.213 176.300 -0.003 0.000 1.010 96 R CA -0.813 55.283 56.100 -0.007 0.000 0.930 96 R CB 1.144 31.438 30.300 -0.011 0.000 1.218 96 R HN 0.556 nan 8.270 nan 0.000 0.473 97 A N 1.273 124.093 122.820 -0.001 0.000 2.805 97 A HA 0.568 4.918 4.320 0.051 0.000 0.301 97 A C 0.585 178.169 177.584 -0.001 0.000 1.557 97 A CA 0.361 52.399 52.037 0.001 0.000 1.254 97 A CB -1.091 17.911 19.000 0.003 0.000 1.114 97 A HN 1.242 nan 8.150 nan 0.000 0.553 98 G N 0.836 109.635 108.800 -0.002 0.000 2.712 98 G HA2 0.063 4.054 3.960 0.051 0.000 0.686 98 G HA3 0.063 4.054 3.960 0.051 0.000 0.686 98 G C 0.634 175.531 174.900 -0.006 0.000 1.181 98 G CA 0.081 45.178 45.100 -0.004 0.000 0.762 98 G HN 1.722 nan 8.290 nan 0.000 0.641 99 S N -0.010 115.686 115.700 -0.007 0.000 2.474 99 S HA -0.002 4.499 4.470 0.051 0.000 0.235 99 S C 1.556 176.149 174.600 -0.010 0.000 0.997 99 S CA 1.423 59.617 58.200 -0.010 0.000 0.949 99 S CB 0.095 63.288 63.200 -0.010 0.000 0.766 99 S HN 0.724 nan 8.310 nan 0.000 0.517 100 R N 0.766 121.261 120.500 -0.009 0.000 2.613 100 R HA 0.331 4.702 4.340 0.051 0.000 0.361 100 R C 0.786 177.082 176.300 -0.007 0.000 1.072 100 R CA 0.044 56.139 56.100 -0.008 0.000 1.089 100 R CB 0.853 31.149 30.300 -0.007 0.000 1.343 100 R HN 0.458 nan 8.270 nan 0.000 0.571 101 G N 1.472 110.268 108.800 -0.007 0.000 2.552 101 G HA2 0.395 4.385 3.960 0.051 0.000 0.318 101 G HA3 0.395 4.385 3.960 0.051 0.000 0.318 101 G C -2.470 172.427 174.900 -0.005 0.000 1.240 101 G CA -1.153 43.944 45.100 -0.005 0.000 1.002 101 G HN -0.113 nan 8.290 nan 0.000 0.493 102 P HA 0.178 nan 4.420 nan 0.000 0.268 102 P C -0.074 177.224 177.300 -0.002 0.000 1.205 102 P CA 0.027 63.126 63.100 -0.002 0.000 0.771 102 P CB 0.576 32.277 31.700 0.001 0.000 0.858 103 T N 3.343 117.895 114.554 -0.004 0.000 2.851 103 T HA 0.241 4.622 4.350 0.051 0.000 0.298 103 T C 0.544 175.246 174.700 0.003 0.000 0.977 103 T CA -0.191 61.906 62.100 -0.005 0.000 1.126 103 T CB -0.008 68.855 68.868 -0.008 0.000 0.916 103 T HN 0.177 nan 8.240 nan 0.000 0.529 104 L N 3.674 124.901 121.223 0.005 0.000 2.375 104 L HA 0.279 4.650 4.340 0.051 0.000 0.271 104 L C 1.489 178.374 176.870 0.024 0.000 1.107 104 L CA -0.727 54.123 54.840 0.016 0.000 0.806 104 L CB 0.622 42.693 42.059 0.019 0.000 1.146 104 L HN 0.525 nan 8.230 nan 0.000 0.447 105 L N 2.146 123.388 121.223 0.031 0.000 2.275 105 L HA -0.172 4.198 4.340 0.051 0.000 0.215 105 L C 2.276 179.185 176.870 0.065 0.000 1.119 105 L CA 1.527 56.392 54.840 0.042 0.000 0.790 105 L CB -0.572 41.509 42.059 0.038 0.000 0.919 105 L HN 0.776 nan 8.230 nan 0.000 0.443 106 E N -1.697 118.546 120.200 0.072 0.000 2.511 106 E HA -0.152 4.229 4.350 0.051 0.000 0.196 106 E C 0.153 176.856 176.600 0.172 0.000 1.066 106 E CA 0.138 56.608 56.400 0.118 0.000 0.871 106 E CB -0.447 29.313 29.700 0.101 0.000 0.863 106 E HN 0.335 nan 8.360 nan 0.000 0.520 107 D N 1.182 121.635 120.400 0.087 0.000 2.455 107 D HA -0.031 4.639 4.640 0.051 0.000 0.234 107 D C 0.399 176.715 176.300 0.027 0.000 1.224 107 D CA -0.481 53.522 54.000 0.005 0.000 0.999 107 D CB -0.078 40.697 40.800 -0.042 0.000 1.072 107 D HN 0.294 nan 8.370 nan 0.000 0.514 108 F N 2.141 122.099 119.950 0.013 0.000 2.456 108 F HA 0.101 4.656 4.527 0.046 0.000 0.298 108 F C 1.621 177.434 175.800 0.020 0.000 1.104 108 F CA 0.109 58.120 58.000 0.018 0.000 1.435 108 F CB -0.620 38.390 39.000 0.017 0.000 1.078 108 F HN 0.184 nan 8.300 nan 0.000 0.546 109 I N 0.497 120.706 120.570 -0.602 0.000 2.233 109 I HA -0.193 4.007 4.170 0.051 0.000 0.243 109 I C 2.488 178.510 176.117 -0.158 0.000 1.093 109 I CA 1.126 62.181 61.300 -0.409 0.000 1.380 109 I CB -0.530 37.159 38.000 -0.517 0.000 1.067 109 I HN 0.289 nan 8.210 nan 0.000 0.413 110 L N 1.163 122.301 121.223 -0.142 0.000 1.994 110 L HA -0.186 4.185 4.340 0.051 0.000 0.208 110 L C 2.675 179.539 176.870 -0.010 0.000 1.071 110 L CA 1.834 56.634 54.840 -0.068 0.000 0.745 110 L CB -0.538 41.484 42.059 -0.060 0.000 0.892 110 L HN 0.030 nan 8.230 nan 0.000 0.431 111 R N -0.525 119.988 120.500 0.022 0.000 2.081 111 R HA -0.188 4.182 4.340 0.051 0.000 0.235 111 R C 2.340 178.697 176.300 0.096 0.000 1.131 111 R CA 1.660 57.800 56.100 0.068 0.000 0.960 111 R CB -0.428 29.925 30.300 0.088 0.000 0.856 111 R HN 0.593 nan 8.270 nan 0.000 0.436 112 E N 1.117 121.379 120.200 0.103 0.000 2.031 112 E HA -0.246 4.135 4.350 0.051 0.000 0.193 112 E C 1.962 178.642 176.600 0.132 0.000 0.994 112 E CA 1.308 57.786 56.400 0.129 0.000 0.800 112 E CB 0.078 29.857 29.700 0.131 0.000 0.752 112 E HN 0.147 nan 8.360 nan 0.000 0.447 113 K N 0.300 120.747 120.400 0.078 0.000 2.020 113 K HA -0.181 4.170 4.320 0.051 0.000 0.212 113 K C 2.139 178.815 176.600 0.127 0.000 1.050 113 K CA 1.719 58.051 56.287 0.075 0.000 0.929 113 K CB -0.127 32.376 32.500 0.005 0.000 0.714 113 K HN 0.156 nan 8.250 nan 0.000 0.443 114 I N 1.364 121.988 120.570 0.089 0.000 2.315 114 I HA -0.195 4.006 4.170 0.051 0.000 0.248 114 I C 2.217 178.447 176.117 0.189 0.000 1.117 114 I CA 1.364 62.735 61.300 0.117 0.000 1.404 114 I CB -1.616 36.413 38.000 0.049 0.000 1.071 114 I HN 0.265 nan 8.210 nan 0.000 0.419 115 T N -0.214 114.446 114.554 0.177 0.000 2.684 115 T HA -0.226 4.154 4.350 0.051 0.000 0.267 115 T C 1.963 176.818 174.700 0.258 0.000 1.036 115 T CA 1.510 63.743 62.100 0.221 0.000 1.148 115 T CB -0.451 68.546 68.868 0.215 0.000 0.863 115 T HN 0.354 nan 8.240 nan 0.000 0.436 116 H N -0.044 119.130 119.070 0.173 0.000 2.290 116 H HA -0.094 4.490 4.556 0.046 0.000 0.298 116 H C 2.229 177.624 175.328 0.113 0.000 1.087 116 H CA 1.882 58.014 56.048 0.140 0.000 1.291 116 H CB -0.507 29.315 29.762 0.100 0.000 1.369 116 H HN 0.406 nan 8.280 nan 0.000 0.492 117 F N 2.052 122.074 119.950 0.120 0.000 2.095 117 F HA -0.219 4.258 4.527 -0.083 0.000 0.298 117 F C 2.053 177.808 175.800 -0.075 0.000 1.104 117 F CA 1.850 59.865 58.000 0.025 0.000 1.232 117 F CB -0.323 38.683 39.000 0.010 0.000 0.987 117 F HN 0.076 nan 8.300 nan 0.000 0.475 118 D N -1.073 119.306 120.400 -0.036 0.000 2.263 118 D HA -0.154 4.516 4.640 0.051 0.000 0.208 118 D C 1.106 177.040 176.300 -0.610 0.000 0.971 118 D CA 1.267 55.065 54.000 -0.336 0.000 0.867 118 D CB -0.389 40.199 40.800 -0.353 0.000 0.929 118 D HN 0.511 nan 8.370 nan 0.000 0.492 119 H N -0.264 118.697 119.070 -0.182 0.000 2.467 119 H HA 0.234 4.872 4.556 0.137 0.000 0.275 119 H C 0.868 176.042 175.328 -0.256 0.000 1.131 119 H CA -0.089 55.846 56.048 -0.188 0.000 0.989 119 H CB 0.490 30.157 29.762 -0.158 0.000 1.696 119 H HN 0.268 nan 8.280 nan 0.000 0.574 120 E N 0.671 120.716 120.200 -0.257 0.000 2.158 120 E HA -0.011 4.369 4.350 0.051 0.000 0.191 120 E C 0.540 176.996 176.600 -0.240 0.000 0.982 120 E CA 0.371 56.591 56.400 -0.299 0.000 0.823 120 E CB 0.507 30.000 29.700 -0.346 0.000 0.766 120 E HN 0.195 nan 8.360 nan 0.000 0.468 121 R N 1.483 121.893 120.500 -0.151 0.000 2.441 121 R HA 0.324 4.695 4.340 0.051 0.000 0.284 121 R C 0.476 176.810 176.300 0.057 0.000 1.070 121 R CA -0.161 55.922 56.100 -0.027 0.000 1.047 121 R CB 0.698 30.972 30.300 -0.044 0.000 1.016 121 R HN 0.162 nan 8.270 nan 0.000 0.477 122 I N -0.876 119.789 120.570 0.158 0.000 2.693 122 I HA 0.547 4.748 4.170 0.051 0.000 0.303 122 I C -2.269 173.906 176.117 0.096 0.000 1.025 122 I CA -2.999 58.384 61.300 0.137 0.000 1.086 122 I CB 1.841 39.952 38.000 0.184 0.000 1.268 122 I HN 0.251 nan 8.210 nan 0.000 0.440 123 P HA 0.076 nan 4.420 nan 0.000 0.265 123 P C -0.787 176.540 177.300 0.044 0.000 1.193 123 P CA -0.009 63.115 63.100 0.040 0.000 0.765 123 P CB 0.413 32.126 31.700 0.022 0.000 0.823 124 E N 2.960 123.189 120.200 0.048 0.000 2.392 124 E HA 0.158 4.538 4.350 0.051 0.000 0.256 124 E C -0.451 176.174 176.600 0.043 0.000 1.145 124 E CA -0.821 55.613 56.400 0.057 0.000 0.929 124 E CB 0.616 30.355 29.700 0.064 0.000 0.998 124 E HN 0.268 nan 8.360 nan 0.000 0.442 125 R N 1.001 121.534 120.500 0.055 0.000 2.585 125 R HA -0.011 4.360 4.340 0.051 0.000 0.275 125 R C 1.365 177.699 176.300 0.057 0.000 1.018 125 R CA -0.435 55.697 56.100 0.052 0.000 1.072 125 R CB 0.242 30.595 30.300 0.087 0.000 0.953 125 R HN 0.582 nan 8.270 nan 0.000 0.419 126 I N 1.986 122.584 120.570 0.045 0.000 2.185 126 I HA -0.190 4.011 4.170 0.051 0.000 0.246 126 I C 1.257 177.423 176.117 0.082 0.000 1.088 126 I CA 1.697 63.032 61.300 0.058 0.000 1.347 126 I CB -1.106 36.933 38.000 0.065 0.000 1.041 126 I HN 0.408 nan 8.210 nan 0.000 0.415 127 V N -3.579 116.417 119.914 0.137 0.000 3.078 127 V HA 0.522 4.672 4.120 0.051 0.000 0.311 127 V C 0.349 176.600 176.094 0.262 0.000 1.138 127 V CA -0.850 61.551 62.300 0.169 0.000 1.007 127 V CB 1.932 33.921 31.823 0.276 0.000 1.045 127 V HN 0.412 nan 8.190 nan 0.000 0.432 128 H N 0.530 119.668 119.070 0.114 0.000 2.903 128 H HA -0.211 4.375 4.556 0.050 0.000 0.285 128 H C 1.529 176.907 175.328 0.084 0.000 1.231 128 H CA 0.837 56.945 56.048 0.101 0.000 1.135 128 H CB -1.233 28.580 29.762 0.085 0.000 1.328 128 H HN 1.201 nan 8.280 nan 0.000 0.388 129 A N 0.731 123.637 122.820 0.143 0.000 1.972 129 A HA -0.115 4.236 4.320 0.051 0.000 0.219 129 A C 1.739 179.414 177.584 0.151 0.000 1.169 129 A CA 1.347 53.460 52.037 0.127 0.000 0.635 129 A CB -0.097 18.956 19.000 0.089 0.000 0.810 129 A HN 0.246 nan 8.150 nan 0.000 0.446 130 R N 0.428 121.018 120.500 0.149 0.000 2.220 130 R HA 0.488 4.858 4.340 0.051 0.000 0.340 130 R C -0.134 176.294 176.300 0.214 0.000 1.076 130 R CA 0.683 56.892 56.100 0.181 0.000 0.920 130 R CB 0.029 30.420 30.300 0.151 0.000 1.062 130 R HN 0.303 nan 8.270 nan 0.000 0.469 131 G N 1.000 109.949 108.800 0.248 0.000 2.696 131 G HA2 0.522 4.513 3.960 0.051 0.000 0.295 131 G HA3 0.522 4.513 3.960 0.051 0.000 0.295 131 G C -1.537 173.516 174.900 0.256 0.000 1.398 131 G CA -0.574 44.638 45.100 0.185 0.000 0.920 131 G HN 0.475 nan 8.290 nan 0.000 0.492 132 S N -0.724 115.078 115.700 0.171 0.000 2.557 132 S HA 0.851 5.352 4.470 0.051 0.000 0.291 132 S C -0.063 174.551 174.600 0.023 0.000 1.116 132 S CA -0.312 58.047 58.200 0.264 0.000 0.992 132 S CB 1.675 65.157 63.200 0.469 0.000 1.028 132 S HN 1.364 nan 8.310 nan 0.000 0.484 133 A N 1.901 124.697 122.820 -0.040 0.000 2.430 133 A HA 1.043 5.393 4.320 0.051 0.000 0.300 133 A C -0.807 176.598 177.584 -0.299 0.000 1.124 133 A CA -0.808 50.990 52.037 -0.397 0.000 0.766 133 A CB 1.619 20.235 19.000 -0.639 0.000 1.328 133 A HN 1.347 nan 8.150 nan 0.000 0.424 134 A N 0.369 122.855 122.820 -0.556 0.000 2.604 134 A HA 0.676 5.026 4.320 0.051 0.000 0.295 134 A C -1.071 176.342 177.584 -0.285 0.000 1.067 134 A CA -0.663 51.216 52.037 -0.264 0.000 0.683 134 A CB 0.654 19.586 19.000 -0.114 0.000 1.281 134 A HN 0.882 nan 8.150 nan 0.000 0.407 135 H N -0.205 118.896 119.070 0.051 0.000 2.505 135 H HA 0.682 5.268 4.556 0.050 0.000 0.355 135 H C 0.662 175.995 175.328 0.010 0.000 1.179 135 H CA 0.934 57.064 56.048 0.136 0.000 1.343 135 H CB 1.819 31.657 29.762 0.127 0.000 1.501 135 H HN 1.173 nan 8.280 nan 0.000 0.569 136 G N 0.433 109.338 108.800 0.175 0.000 2.494 136 G HA2 0.341 4.332 3.960 0.051 0.000 0.308 136 G HA3 0.341 4.332 3.960 0.051 0.000 0.308 136 G C -2.082 172.951 174.900 0.222 0.000 1.263 136 G CA -0.696 44.468 45.100 0.107 0.000 0.840 136 G HN 0.630 nan 8.290 nan 0.000 0.479 137 Y N -1.640 118.691 120.300 0.051 0.000 2.588 137 Y HA 0.853 5.433 4.550 0.050 0.000 0.343 137 Y C -1.615 174.415 175.900 0.215 0.000 1.065 137 Y CA -1.930 56.243 58.100 0.122 0.000 1.038 137 Y CB 2.038 40.544 38.460 0.077 0.000 1.297 137 Y HN 0.780 nan 8.280 nan 0.000 0.467 138 F N 2.385 122.470 119.950 0.226 0.000 2.563 138 F HA 0.669 5.227 4.527 0.051 0.000 0.316 138 F C -1.206 174.782 175.800 0.314 0.000 1.076 138 F CA -0.612 57.528 58.000 0.235 0.000 0.921 138 F CB 2.318 41.586 39.000 0.448 0.000 1.209 138 F HN 0.797 nan 8.300 nan 0.000 0.462 139 Q N 7.064 126.262 119.800 -1.003 0.000 2.281 139 Q HA 0.450 4.820 4.340 0.051 0.000 0.263 139 Q C -3.131 172.231 176.000 -1.064 0.000 0.989 139 Q CA -2.191 53.207 55.803 -0.675 0.000 0.852 139 Q CB 2.974 31.640 28.738 -0.119 0.000 1.337 139 Q HN 0.352 nan 8.270 nan 0.000 0.418 140 P HA 0.045 nan 4.420 nan 0.000 0.275 140 P C -0.406 176.769 177.300 -0.208 0.000 1.228 140 P CA 0.100 62.962 63.100 -0.397 0.000 0.786 140 P CB 0.525 32.178 31.700 -0.078 0.000 0.927 141 Y N 1.026 121.272 120.300 -0.091 0.000 2.263 141 Y HA -0.079 4.502 4.550 0.051 0.000 0.292 141 Y C 1.608 177.486 175.900 -0.037 0.000 1.130 141 Y CA 0.556 58.623 58.100 -0.055 0.000 1.179 141 Y CB 0.188 38.625 38.460 -0.038 0.000 0.998 141 Y HN 0.362 nan 8.280 nan 0.000 0.532 142 K N -0.795 119.671 120.400 0.109 0.000 2.499 142 K HA 0.391 4.742 4.320 0.051 0.000 0.277 142 K C -0.953 175.657 176.600 0.018 0.000 1.025 142 K CA -0.934 55.386 56.287 0.057 0.000 0.900 142 K CB 1.641 34.174 32.500 0.056 0.000 1.494 142 K HN -0.219 nan 8.250 nan 0.000 0.442 143 S N 0.704 116.410 115.700 0.011 0.000 2.549 143 S HA 0.210 4.710 4.470 0.051 0.000 0.279 143 S C 0.329 174.923 174.600 -0.011 0.000 1.321 143 S CA -0.672 57.524 58.200 -0.005 0.000 1.054 143 S CB -0.185 63.014 63.200 -0.001 0.000 0.899 143 S HN 0.538 nan 8.310 nan 0.000 0.497 144 L N 4.776 125.982 121.223 -0.029 0.000 3.017 144 L HA 0.165 4.535 4.340 0.051 0.000 0.255 144 L C 1.967 178.820 176.870 -0.028 0.000 1.247 144 L CA -0.090 54.739 54.840 -0.019 0.000 1.038 144 L CB -0.061 41.993 42.059 -0.009 0.000 1.380 144 L HN 0.874 nan 8.230 nan 0.000 0.548 145 S N -1.784 113.899 115.700 -0.029 0.000 2.440 145 S HA -0.188 4.312 4.470 0.051 0.000 0.238 145 S C 1.287 175.869 174.600 -0.030 0.000 1.010 145 S CA 1.144 59.325 58.200 -0.033 0.000 0.972 145 S CB -0.110 63.076 63.200 -0.024 0.000 0.774 145 S HN 0.401 nan 8.310 nan 0.000 0.501 146 D N 2.109 122.497 120.400 -0.021 0.000 2.178 146 D HA -0.005 4.666 4.640 0.051 0.000 0.202 146 D C 1.861 178.142 176.300 -0.031 0.000 0.974 146 D CA 1.547 55.535 54.000 -0.021 0.000 0.841 146 D CB -0.214 40.580 40.800 -0.011 0.000 0.953 146 D HN 0.806 nan 8.370 nan 0.000 0.478 147 I N -3.840 116.713 120.570 -0.030 0.000 4.035 147 I HA 0.219 4.420 4.170 0.051 0.000 0.321 147 I C 0.429 176.501 176.117 -0.075 0.000 1.289 147 I CA 0.037 61.309 61.300 -0.047 0.000 1.236 147 I CB 1.095 39.084 38.000 -0.018 0.000 1.076 147 I HN -0.253 nan 8.210 nan 0.000 0.418 148 T N 1.512 116.024 114.554 -0.070 0.000 2.982 148 T HA 0.327 4.708 4.350 0.051 0.000 0.321 148 T C -0.164 174.481 174.700 -0.092 0.000 1.229 148 T CA -0.736 61.304 62.100 -0.100 0.000 1.044 148 T CB 1.697 70.494 68.868 -0.119 0.000 1.184 148 T HN 0.430 nan 8.240 nan 0.000 0.477 149 K N 2.417 122.762 120.400 -0.092 0.000 2.410 149 K HA 0.602 4.952 4.320 0.051 0.000 0.200 149 K C 0.674 177.235 176.600 -0.065 0.000 1.023 149 K CA -0.422 55.825 56.287 -0.068 0.000 1.149 149 K CB 0.330 32.797 32.500 -0.054 0.000 0.859 149 K HN 0.475 nan 8.250 nan 0.000 0.514 150 A N 1.954 124.710 122.820 -0.107 0.000 2.522 150 A HA -0.032 4.319 4.320 0.051 0.000 0.256 150 A C 0.519 178.058 177.584 -0.074 0.000 1.086 150 A CA -0.072 51.910 52.037 -0.092 0.000 0.763 150 A CB 0.118 18.992 19.000 -0.210 0.000 1.024 150 A HN 0.432 nan 8.150 nan 0.000 0.502 151 D N 2.139 122.569 120.400 0.050 0.000 2.149 151 D HA -0.237 4.433 4.640 0.051 0.000 0.198 151 D C 1.381 177.755 176.300 0.123 0.000 0.990 151 D CA 2.312 56.360 54.000 0.080 0.000 0.839 151 D CB -0.243 40.627 40.800 0.117 0.000 0.948 151 D HN 0.747 nan 8.370 nan 0.000 0.460 152 F N -0.664 119.312 119.950 0.044 0.000 2.546 152 F HA 0.109 4.667 4.527 0.052 0.000 0.298 152 F C 1.065 176.959 175.800 0.156 0.000 1.120 152 F CA 0.501 58.569 58.000 0.112 0.000 1.456 152 F CB -0.233 38.827 39.000 0.100 0.000 1.088 152 F HN -0.054 nan 8.300 nan 0.000 0.572 153 L N 0.771 121.725 121.223 -0.447 0.000 2.857 153 L HA 0.205 4.575 4.340 0.051 0.000 0.249 153 L C 1.835 178.624 176.870 -0.135 0.000 1.172 153 L CA 0.332 54.973 54.840 -0.332 0.000 0.980 153 L CB -0.012 41.719 42.059 -0.546 0.000 1.299 153 L HN 0.311 nan 8.230 nan 0.000 0.535 154 S N -2.264 113.397 115.700 -0.065 0.000 2.558 154 S HA 0.051 4.552 4.470 0.051 0.000 0.217 154 S C 0.313 174.914 174.600 0.001 0.000 0.975 154 S CA -0.106 58.077 58.200 -0.027 0.000 0.912 154 S CB 0.081 63.276 63.200 -0.008 0.000 0.776 154 S HN 0.376 nan 8.310 nan 0.000 0.526 155 D N 0.376 120.786 120.400 0.017 0.000 2.931 155 D HA 0.313 4.983 4.640 0.051 0.000 0.215 155 D C -2.556 173.762 176.300 0.030 0.000 1.297 155 D CA -1.706 52.310 54.000 0.026 0.000 0.892 155 D CB 1.938 42.760 40.800 0.036 0.000 1.642 155 D HN -0.191 nan 8.370 nan 0.000 0.560 156 P HA -0.112 nan 4.420 nan 0.000 0.217 156 P C 0.627 177.946 177.300 0.032 0.000 1.148 156 P CA 0.934 64.050 63.100 0.027 0.000 0.828 156 P CB 0.371 32.095 31.700 0.040 0.000 0.783 157 N N -0.464 118.258 118.700 0.036 0.000 2.463 157 N HA -0.039 4.732 4.740 0.051 0.000 0.181 157 N C 0.812 176.354 175.510 0.053 0.000 1.078 157 N CA 0.394 53.467 53.050 0.039 0.000 0.902 157 N CB -0.143 38.363 38.487 0.032 0.000 0.970 157 N HN 0.280 nan 8.380 nan 0.000 0.451 158 K N 1.748 122.189 120.400 0.069 0.000 2.338 158 K HA 0.134 4.485 4.320 0.051 0.000 0.290 158 K C -0.405 176.283 176.600 0.147 0.000 1.069 158 K CA -0.342 56.008 56.287 0.106 0.000 0.941 158 K CB 0.186 32.759 32.500 0.122 0.000 1.023 158 K HN 0.016 nan 8.250 nan 0.000 0.477 159 I N 1.619 122.278 120.570 0.149 0.000 2.412 159 I HA 0.338 4.538 4.170 0.051 0.000 0.296 159 I C -0.897 175.385 176.117 0.274 0.000 0.987 159 I CA 0.145 61.570 61.300 0.208 0.000 1.180 159 I CB 2.219 40.311 38.000 0.153 0.000 1.340 159 I HN 0.357 nan 8.210 nan 0.000 0.455 160 T N 7.966 122.767 114.554 0.411 0.000 2.772 160 T HA 0.509 4.890 4.350 0.051 0.000 0.288 160 T C -2.569 172.384 174.700 0.422 0.000 0.994 160 T CA -1.073 61.290 62.100 0.439 0.000 0.951 160 T CB 1.192 70.428 68.868 0.613 0.000 0.933 160 T HN 0.481 nan 8.240 nan 0.000 0.447 161 P HA 0.258 nan 4.420 nan 0.000 0.268 161 P C -0.651 176.876 177.300 0.379 0.000 1.208 161 P CA -0.392 62.893 63.100 0.310 0.000 0.777 161 P CB 0.507 32.314 31.700 0.178 0.000 0.875 162 V N -1.094 118.995 119.914 0.291 0.000 3.159 162 V HA 0.735 4.886 4.120 0.051 0.000 0.308 162 V C -1.465 174.783 176.094 0.257 0.000 1.190 162 V CA -0.920 61.454 62.300 0.123 0.000 1.037 162 V CB 2.300 33.966 31.823 -0.262 0.000 1.060 162 V HN 0.336 nan 8.190 nan 0.000 0.437 163 F N 1.809 121.732 119.950 -0.046 0.000 2.536 163 F HA 0.840 5.397 4.527 0.050 0.000 0.322 163 F C -0.945 174.762 175.800 -0.156 0.000 1.144 163 F CA -0.744 57.177 58.000 -0.132 0.000 0.924 163 F CB 1.948 40.887 39.000 -0.101 0.000 1.181 163 F HN 0.520 nan 8.300 nan 0.000 0.438 164 V N 6.741 126.203 119.914 -0.752 0.000 2.495 164 V HA 0.563 4.713 4.120 0.051 0.000 0.298 164 V C -0.631 174.788 176.094 -1.125 0.000 1.031 164 V CA -0.802 60.974 62.300 -0.874 0.000 0.871 164 V CB 1.876 33.126 31.823 -0.954 0.000 0.988 164 V HN 0.724 nan 8.190 nan 0.000 0.432 165 R N 4.062 123.892 120.500 -1.117 0.000 2.439 165 R HA 0.597 4.967 4.340 0.051 0.000 0.310 165 R C -1.608 174.074 176.300 -1.029 0.000 0.955 165 R CA -0.429 55.113 56.100 -0.929 0.000 0.853 165 R CB 1.055 31.009 30.300 -0.577 0.000 1.171 165 R HN 0.540 nan 8.270 nan 0.000 0.449 166 F N 2.261 121.803 119.950 -0.680 0.000 2.397 166 F HA 0.501 5.059 4.527 0.050 0.000 0.331 166 F C 0.650 176.109 175.800 -0.569 0.000 1.090 166 F CA -0.096 57.382 58.000 -0.870 0.000 1.065 166 F CB 2.046 40.006 39.000 -1.733 0.000 1.184 166 F HN 0.650 nan 8.300 nan 0.000 0.499 167 S N -0.679 114.954 115.700 -0.113 0.000 2.672 167 S HA 0.716 5.217 4.470 0.051 0.000 0.271 167 S C -0.638 174.117 174.600 0.257 0.000 1.171 167 S CA -0.767 57.513 58.200 0.132 0.000 0.817 167 S CB 1.478 64.792 63.200 0.190 0.000 1.150 167 S HN 0.680 nan 8.310 nan 0.000 0.478 168 T N -1.860 112.833 114.554 0.231 0.000 2.876 168 T HA 0.744 5.125 4.350 0.051 0.000 0.277 168 T C 0.700 175.382 174.700 -0.029 0.000 0.997 168 T CA -0.254 61.946 62.100 0.168 0.000 0.966 168 T CB 0.687 69.653 68.868 0.163 0.000 1.312 168 T HN 0.581 nan 8.240 nan 0.000 0.598 169 V N -0.094 119.755 119.914 -0.109 0.000 2.854 169 V HA 0.100 4.250 4.120 0.051 0.000 0.236 169 V C 2.762 178.760 176.094 -0.160 0.000 1.157 169 V CA 0.399 62.490 62.300 -0.348 0.000 1.187 169 V CB -0.299 31.441 31.823 -0.140 0.000 0.949 169 V HN 0.863 nan 8.190 nan 0.000 0.488 170 Q N 1.027 120.780 119.800 -0.079 0.000 2.020 170 Q HA 0.032 4.403 4.340 0.051 0.000 0.198 170 Q C 1.323 177.293 176.000 -0.051 0.000 0.974 170 Q CA 1.440 57.198 55.803 -0.076 0.000 0.829 170 Q CB -0.452 28.229 28.738 -0.095 0.000 0.894 170 Q HN 0.586 nan 8.270 nan 0.000 0.433 171 G N -0.102 108.683 108.800 -0.024 0.000 2.636 171 G HA2 0.335 4.326 3.960 0.051 0.000 0.246 171 G HA3 0.335 4.326 3.960 0.051 0.000 0.246 171 G C 0.172 175.075 174.900 0.005 0.000 1.216 171 G CA 0.098 45.190 45.100 -0.013 0.000 0.854 171 G HN 0.353 nan 8.290 nan 0.000 0.572 172 G N -1.048 107.751 108.800 -0.002 0.000 2.651 172 G HA2 0.481 4.471 3.960 0.051 0.000 0.260 172 G HA3 0.481 4.471 3.960 0.051 0.000 0.260 172 G C 1.305 176.230 174.900 0.043 0.000 1.216 172 G CA 0.415 45.523 45.100 0.015 0.000 0.913 172 G HN 1.087 nan 8.290 nan 0.000 0.535 173 A N -0.619 122.238 122.820 0.062 0.000 2.070 173 A HA 0.132 4.483 4.320 0.051 0.000 0.220 173 A C 2.245 179.866 177.584 0.061 0.000 1.159 173 A CA 1.914 54.008 52.037 0.095 0.000 0.656 173 A CB -0.365 18.709 19.000 0.124 0.000 0.800 173 A HN 1.081 nan 8.150 nan 0.000 0.453 174 G N -0.124 108.693 108.800 0.027 0.000 3.233 174 G HA2 0.308 4.299 3.960 0.051 0.000 0.227 174 G HA3 0.308 4.299 3.960 0.051 0.000 0.227 174 G C 0.733 175.631 174.900 -0.002 0.000 1.175 174 G CA 0.648 45.748 45.100 0.001 0.000 0.781 174 G HN 0.667 nan 8.290 nan 0.000 0.542 175 S N -0.233 115.474 115.700 0.012 0.000 2.655 175 S HA 0.721 5.222 4.470 0.051 0.000 0.265 175 S C 0.437 175.048 174.600 0.018 0.000 1.240 175 S CA -0.089 58.116 58.200 0.007 0.000 0.986 175 S CB 1.639 64.846 63.200 0.011 0.000 0.985 175 S HN 0.549 nan 8.310 nan 0.000 0.562 176 A N 0.474 123.299 122.820 0.009 0.000 2.340 176 A HA 0.396 4.746 4.320 0.051 0.000 0.268 176 A C 0.639 178.238 177.584 0.025 0.000 1.100 176 A CA -0.569 51.469 52.037 0.002 0.000 0.803 176 A CB -0.098 18.887 19.000 -0.024 0.000 1.043 176 A HN 0.881 nan 8.150 nan 0.000 0.488 177 D N 0.670 121.073 120.400 0.005 0.000 2.123 177 D HA -0.069 4.602 4.640 0.051 0.000 0.200 177 D C 1.607 177.857 176.300 -0.083 0.000 0.976 177 D CA 2.234 56.238 54.000 0.007 0.000 0.831 177 D CB -0.216 40.545 40.800 -0.065 0.000 0.974 177 D HN 0.678 nan 8.370 nan 0.000 0.469 178 T N -0.154 114.284 114.554 -0.193 0.000 3.418 178 T HA 0.286 4.667 4.350 0.051 0.000 0.239 178 T C 0.816 175.502 174.700 -0.024 0.000 0.905 178 T CA -0.565 61.425 62.100 -0.182 0.000 0.929 178 T CB -0.975 67.720 68.868 -0.289 0.000 1.121 178 T HN -0.076 nan 8.240 nan 0.000 0.608 179 V N -1.389 118.563 119.914 0.064 0.000 3.264 179 V HA 0.486 4.637 4.120 0.051 0.000 0.304 179 V C 0.650 176.888 176.094 0.239 0.000 1.086 179 V CA -1.526 60.861 62.300 0.146 0.000 1.090 179 V CB 0.609 32.506 31.823 0.123 0.000 1.112 179 V HN 0.530 nan 8.190 nan 0.000 0.472 180 R N 1.522 122.214 120.500 0.321 0.000 2.210 180 R HA 0.483 4.853 4.340 0.051 0.000 0.338 180 R C -1.079 175.307 176.300 0.143 0.000 1.062 180 R CA -0.078 56.171 56.100 0.248 0.000 0.902 180 R CB 0.099 30.483 30.300 0.139 0.000 1.050 180 R HN 1.051 nan 8.270 nan 0.000 0.461 181 D N 3.386 123.879 120.400 0.155 0.000 2.710 181 D HA 0.193 4.863 4.640 0.051 0.000 0.276 181 D C -0.481 175.930 176.300 0.184 0.000 1.267 181 D CA -0.603 53.476 54.000 0.131 0.000 0.772 181 D CB 1.307 42.175 40.800 0.113 0.000 1.299 181 D HN 0.244 nan 8.370 nan 0.000 0.421 182 I N 1.265 121.960 120.570 0.208 0.000 2.882 182 I HA 0.231 4.432 4.170 0.051 0.000 0.286 182 I C 0.785 177.046 176.117 0.241 0.000 1.139 182 I CA -0.091 61.344 61.300 0.225 0.000 1.379 182 I CB 0.206 38.363 38.000 0.261 0.000 1.410 182 I HN 0.239 nan 8.210 nan 0.000 0.594 183 R N 2.394 123.055 120.500 0.269 0.000 2.637 183 R HA 0.521 4.892 4.340 0.051 0.000 0.291 183 R C -0.158 176.336 176.300 0.323 0.000 0.963 183 R CA -0.725 55.552 56.100 0.295 0.000 0.901 183 R CB 1.599 32.085 30.300 0.309 0.000 1.160 183 R HN 0.802 nan 8.270 nan 0.000 0.457 184 G N 1.153 110.163 108.800 0.350 0.000 2.420 184 G HA2 0.462 4.452 3.960 0.051 0.000 0.284 184 G HA3 0.462 4.452 3.960 0.051 0.000 0.284 184 G C -1.242 173.731 174.900 0.122 0.000 1.177 184 G CA -0.059 45.198 45.100 0.261 0.000 0.841 184 G HN 0.358 nan 8.290 nan 0.000 0.527 185 F N 2.093 121.950 119.950 -0.154 0.000 2.902 185 F HA 0.642 5.200 4.527 0.051 0.000 0.368 185 F C -0.187 175.334 175.800 -0.465 0.000 1.202 185 F CA -1.904 55.913 58.000 -0.306 0.000 1.109 185 F CB 1.044 39.973 39.000 -0.120 0.000 1.418 185 F HN 0.654 nan 8.300 nan 0.000 0.527 186 A N 3.400 125.958 122.820 -0.435 0.000 2.304 186 A HA 0.782 5.133 4.320 0.051 0.000 0.323 186 A C -0.588 176.566 177.584 -0.715 0.000 1.195 186 A CA -0.426 51.192 52.037 -0.698 0.000 0.826 186 A CB 0.773 19.000 19.000 -1.288 0.000 1.184 186 A HN 0.549 nan 8.150 nan 0.000 0.496 187 T N 2.379 116.678 114.554 -0.424 0.000 2.809 187 T HA 0.374 4.754 4.350 0.051 0.000 0.284 187 T C -0.357 174.167 174.700 -0.295 0.000 0.992 187 T CA -0.475 61.384 62.100 -0.402 0.000 0.957 187 T CB 1.028 69.615 68.868 -0.468 0.000 0.942 187 T HN 0.643 nan 8.240 nan 0.000 0.439 188 K N 3.437 123.741 120.400 -0.159 0.000 2.253 188 K HA 0.456 4.806 4.320 0.051 0.000 0.277 188 K C -1.269 174.996 176.600 -0.558 0.000 1.053 188 K CA -0.576 55.522 56.287 -0.315 0.000 0.892 188 K CB 0.363 32.607 32.500 -0.426 0.000 1.102 188 K HN 0.391 nan 8.250 nan 0.000 0.469 189 F N 4.444 124.099 119.950 -0.491 0.000 2.385 189 F HA 0.243 4.801 4.527 0.051 0.000 0.360 189 F C -0.500 175.091 175.800 -0.348 0.000 1.122 189 F CA -0.606 57.168 58.000 -0.377 0.000 1.090 189 F CB 0.754 39.453 39.000 -0.502 0.000 1.150 189 F HN 0.444 nan 8.300 nan 0.000 0.472 190 Y N 1.771 122.129 120.300 0.097 0.000 2.714 190 Y HA 0.238 4.818 4.550 0.050 0.000 0.333 190 Y C 1.010 176.972 175.900 0.103 0.000 1.220 190 Y CA -0.934 57.208 58.100 0.069 0.000 1.513 190 Y CB -0.267 38.221 38.460 0.047 0.000 1.435 190 Y HN 0.527 nan 8.280 nan 0.000 0.489 191 T N -2.489 112.171 114.554 0.175 0.000 2.874 191 T HA 0.186 4.566 4.350 0.051 0.000 0.281 191 T C 0.844 175.640 174.700 0.160 0.000 0.994 191 T CA -0.806 61.399 62.100 0.176 0.000 1.015 191 T CB 1.120 70.072 68.868 0.139 0.000 1.028 191 T HN 0.646 nan 8.240 nan 0.000 0.523 192 E N 0.072 120.369 120.200 0.161 0.000 2.516 192 E HA -0.005 4.376 4.350 0.051 0.000 0.199 192 E C 0.741 177.408 176.600 0.111 0.000 1.069 192 E CA 0.488 56.964 56.400 0.127 0.000 0.876 192 E CB 0.090 29.860 29.700 0.116 0.000 0.843 192 E HN 0.739 nan 8.360 nan 0.000 0.530 193 E N 0.102 120.370 120.200 0.112 0.000 2.876 193 E HA 0.258 4.639 4.350 0.051 0.000 0.208 193 E C 0.104 176.752 176.600 0.080 0.000 0.981 193 E CA -0.256 56.202 56.400 0.096 0.000 1.174 193 E CB 1.425 31.185 29.700 0.099 0.000 1.047 193 E HN 0.197 nan 8.360 nan 0.000 0.477 194 G N 1.126 109.970 108.800 0.073 0.000 2.381 194 G HA2 -0.099 3.892 3.960 0.051 0.000 0.672 194 G HA3 -0.099 3.892 3.960 0.051 0.000 0.672 194 G C -1.006 173.906 174.900 0.021 0.000 1.324 194 G CA -1.132 43.989 45.100 0.036 0.000 0.975 194 G HN 0.009 nan 8.290 nan 0.000 0.593 195 I N 0.603 121.151 120.570 -0.037 0.000 2.556 195 I HA 0.411 4.612 4.170 0.051 0.000 0.284 195 I C 0.033 176.162 176.117 0.021 0.000 1.114 195 I CA -0.052 61.201 61.300 -0.078 0.000 1.418 195 I CB 0.729 38.614 38.000 -0.192 0.000 1.394 195 I HN 0.471 nan 8.210 nan 0.000 0.552 196 F N 6.605 126.453 119.950 -0.170 0.000 2.460 196 F HA 0.447 5.005 4.527 0.052 0.000 0.341 196 F C -0.615 175.148 175.800 -0.062 0.000 1.130 196 F CA -1.240 56.651 58.000 -0.183 0.000 0.962 196 F CB 0.762 39.495 39.000 -0.445 0.000 1.171 196 F HN 0.347 nan 8.300 nan 0.000 0.436 197 D N 6.827 127.032 120.400 -0.326 0.000 2.280 197 D HA 0.270 4.940 4.640 0.051 0.000 0.236 197 D C -0.662 175.186 176.300 -0.754 0.000 1.082 197 D CA 0.044 53.806 54.000 -0.397 0.000 0.834 197 D CB 2.381 43.135 40.800 -0.076 0.000 1.100 197 D HN 0.629 nan 8.370 nan 0.000 0.486 198 L N 3.274 124.054 121.223 -0.739 0.000 2.297 198 L HA 0.263 4.634 4.340 0.051 0.000 0.277 198 L C -0.934 175.737 176.870 -0.331 0.000 1.040 198 L CA -0.674 53.785 54.840 -0.635 0.000 0.867 198 L CB 0.750 42.446 42.059 -0.604 0.000 1.244 198 L HN 0.060 nan 8.230 nan 0.000 0.433 199 V N 4.911 124.657 119.914 -0.279 0.000 2.284 199 V HA 0.488 4.638 4.120 0.051 0.000 0.260 199 V C 0.852 176.861 176.094 -0.143 0.000 1.084 199 V CA -0.251 61.897 62.300 -0.254 0.000 0.894 199 V CB 0.345 31.977 31.823 -0.319 0.000 1.119 199 V HN 0.792 nan 8.190 nan 0.000 0.484 200 G N 2.755 111.487 108.800 -0.113 0.000 3.075 200 G HA2 0.927 4.918 3.960 0.051 0.000 0.253 200 G HA3 0.927 4.918 3.960 0.051 0.000 0.253 200 G C -0.695 174.238 174.900 0.055 0.000 1.353 200 G CA -0.143 44.944 45.100 -0.022 0.000 1.051 200 G HN 0.947 nan 8.290 nan 0.000 0.553 201 A N -1.091 121.807 122.820 0.131 0.000 2.564 201 A HA 0.620 4.970 4.320 0.051 0.000 0.288 201 A C 0.232 177.994 177.584 0.297 0.000 1.164 201 A CA -0.230 51.938 52.037 0.218 0.000 0.712 201 A CB 1.256 20.376 19.000 0.199 0.000 1.303 201 A HN 0.800 nan 8.150 nan 0.000 0.418 202 N N -0.129 118.757 118.700 0.310 0.000 2.314 202 N HA 0.064 4.835 4.740 0.051 0.000 0.200 202 N C -0.044 175.708 175.510 0.403 0.000 1.135 202 N CA 0.867 54.147 53.050 0.383 0.000 0.835 202 N CB 0.142 38.831 38.487 0.336 0.000 0.989 202 N HN 0.763 nan 8.380 nan 0.000 0.478 203 T N -3.416 111.208 114.554 0.116 0.000 2.900 203 T HA 0.424 4.804 4.350 0.051 0.000 0.295 203 T C -2.432 171.737 174.700 -0.885 0.000 1.044 203 T CA -1.659 60.114 62.100 -0.545 0.000 0.995 203 T CB 3.036 71.446 68.868 -0.764 0.000 1.072 203 T HN -0.275 nan 8.240 nan 0.000 0.473 204 P HA 0.100 nan 4.420 nan 0.000 0.230 204 P C 0.664 177.458 177.300 -0.843 0.000 1.158 204 P CA 0.391 62.603 63.100 -1.480 0.000 0.769 204 P CB -0.040 30.744 31.700 -1.526 0.000 0.807 205 I N -4.654 115.393 120.570 -0.872 0.000 3.108 205 I HA 0.533 4.734 4.170 0.051 0.000 0.312 205 I C -1.015 174.827 176.117 -0.458 0.000 1.095 205 I CA -1.993 58.943 61.300 -0.606 0.000 1.000 205 I CB 1.365 38.982 38.000 -0.638 0.000 1.229 205 I HN -0.249 nan 8.210 nan 0.000 0.454 206 F N 0.648 120.318 119.950 -0.468 0.000 2.557 206 F HA 0.477 5.034 4.527 0.050 0.000 0.336 206 F C 0.534 176.093 175.800 -0.402 0.000 1.058 206 F CA -0.717 57.050 58.000 -0.388 0.000 0.988 206 F CB 1.773 40.666 39.000 -0.179 0.000 1.275 206 F HN 0.403 nan 8.300 nan 0.000 0.488 207 F N 2.104 121.342 119.950 -1.186 0.000 2.234 207 F HA 0.003 4.560 4.527 0.051 0.000 0.299 207 F C 0.731 176.277 175.800 -0.424 0.000 1.087 207 F CA 0.884 58.358 58.000 -0.877 0.000 1.340 207 F CB -0.142 37.933 39.000 -1.540 0.000 1.031 207 F HN 0.130 nan 8.300 nan 0.000 0.500 208 I N -3.302 117.298 120.570 0.050 0.000 3.002 208 I HA 0.363 4.564 4.170 0.051 0.000 0.310 208 I C 0.396 176.669 176.117 0.260 0.000 1.087 208 I CA -0.836 60.578 61.300 0.191 0.000 1.017 208 I CB 1.857 40.020 38.000 0.272 0.000 1.226 208 I HN -0.140 nan 8.210 nan 0.000 0.443 209 Q N 0.306 120.254 119.800 0.246 0.000 2.259 209 Q HA 0.132 4.503 4.340 0.051 0.000 0.201 209 Q C -0.290 175.882 176.000 0.287 0.000 0.938 209 Q CA 0.607 56.591 55.803 0.301 0.000 0.872 209 Q CB 0.458 29.439 28.738 0.405 0.000 0.971 209 Q HN 0.654 nan 8.270 nan 0.000 0.494 210 D N -1.106 119.434 120.400 0.232 0.000 2.362 210 D HA 0.320 4.991 4.640 0.051 0.000 0.247 210 D C -0.028 176.397 176.300 0.208 0.000 1.050 210 D CA -0.240 53.867 54.000 0.179 0.000 0.839 210 D CB 1.868 42.745 40.800 0.129 0.000 1.283 210 D HN 0.041 nan 8.370 nan 0.000 0.477 211 A N 3.211 126.125 122.820 0.155 0.000 2.070 211 A HA -0.219 4.132 4.320 0.051 0.000 0.220 211 A C 1.789 179.493 177.584 0.201 0.000 1.159 211 A CA 1.606 53.730 52.037 0.144 0.000 0.656 211 A CB -0.750 18.280 19.000 0.050 0.000 0.800 211 A HN 0.814 nan 8.150 nan 0.000 0.453 212 H N 0.088 119.219 119.070 0.101 0.000 2.457 212 H HA -0.009 4.578 4.556 0.051 0.000 0.297 212 H C 1.477 176.884 175.328 0.131 0.000 1.092 212 H CA 1.856 57.957 56.048 0.088 0.000 1.309 212 H CB 0.074 29.864 29.762 0.047 0.000 1.382 212 H HN 0.386 nan 8.280 nan 0.000 0.535 213 K N -0.483 120.055 120.400 0.230 0.000 2.417 213 K HA -0.030 4.321 4.320 0.051 0.000 0.196 213 K C 1.210 177.954 176.600 0.240 0.000 1.023 213 K CA -0.063 56.356 56.287 0.220 0.000 1.122 213 K CB 0.092 32.777 32.500 0.307 0.000 0.850 213 K HN 0.294 nan 8.250 nan 0.000 0.521 214 F N 3.079 123.089 119.950 0.099 0.000 2.134 214 F HA -0.118 4.439 4.527 0.050 0.000 0.299 214 F C -1.048 174.785 175.800 0.055 0.000 1.097 214 F CA 1.217 59.302 58.000 0.142 0.000 1.264 214 F CB -0.392 38.678 39.000 0.117 0.000 1.001 214 F HN 0.019 nan 8.300 nan 0.000 0.479 215 P HA -0.130 nan 4.420 nan 0.000 0.217 215 P C 1.024 178.027 177.300 -0.494 0.000 1.150 215 P CA 1.676 64.557 63.100 -0.365 0.000 0.832 215 P CB -0.054 31.445 31.700 -0.334 0.000 0.787 216 D N -1.089 119.158 120.400 -0.254 0.000 2.078 216 D HA -0.160 4.511 4.640 0.051 0.000 0.193 216 D C 1.828 177.869 176.300 -0.430 0.000 0.990 216 D CA 1.057 54.950 54.000 -0.179 0.000 0.827 216 D CB -1.018 39.844 40.800 0.104 0.000 0.975 216 D HN 0.126 nan 8.370 nan 0.000 0.451 217 F N 1.763 121.323 119.950 -0.651 0.000 2.095 217 F HA -0.249 4.309 4.527 0.051 0.000 0.298 217 F C 2.284 177.705 175.800 -0.632 0.000 1.104 217 F CA 1.256 58.665 58.000 -0.985 0.000 1.232 217 F CB -0.219 38.450 39.000 -0.553 0.000 0.987 217 F HN -0.231 nan 8.300 nan 0.000 0.475 218 V N 0.245 119.783 119.914 -0.626 0.000 2.343 218 V HA -0.340 3.811 4.120 0.051 0.000 0.247 218 V C 2.294 178.191 176.094 -0.329 0.000 1.051 218 V CA 2.430 64.397 62.300 -0.555 0.000 1.036 218 V CB -1.038 30.472 31.823 -0.521 0.000 0.654 218 V HN 0.478 nan 8.190 nan 0.000 0.451 219 H N -0.291 118.561 119.070 -0.363 0.000 2.387 219 H HA -0.144 4.443 4.556 0.051 0.000 0.299 219 H C 2.328 177.514 175.328 -0.236 0.000 1.099 219 H CA 1.076 56.986 56.048 -0.230 0.000 1.315 219 H CB 0.047 29.722 29.762 -0.145 0.000 1.380 219 H HN 0.490 nan 8.280 nan 0.000 0.513 220 A N 0.417 123.080 122.820 -0.262 0.000 1.933 220 A HA -0.114 4.236 4.320 0.051 0.000 0.218 220 A C 2.520 179.973 177.584 -0.218 0.000 1.175 220 A CA 1.417 53.294 52.037 -0.267 0.000 0.628 220 A CB -0.707 17.993 19.000 -0.499 0.000 0.814 220 A HN 0.302 nan 8.150 nan 0.000 0.444 221 V N -0.166 119.494 119.914 -0.423 0.000 2.649 221 V HA -0.003 4.148 4.120 0.051 0.000 0.248 221 V C 0.932 176.995 176.094 -0.052 0.000 1.054 221 V CA 0.812 62.927 62.300 -0.308 0.000 1.073 221 V CB -0.454 30.976 31.823 -0.655 0.000 0.699 221 V HN 0.356 nan 8.190 nan 0.000 0.463 222 K N 1.083 121.407 120.400 -0.126 0.000 2.234 222 K HA 0.183 4.534 4.320 0.051 0.000 0.251 222 K C -2.286 174.246 176.600 -0.113 0.000 1.011 222 K CA -1.491 54.730 56.287 -0.110 0.000 0.889 222 K CB -0.443 31.985 32.500 -0.120 0.000 1.011 222 K HN 0.182 nan 8.250 nan 0.000 0.505 223 P HA -0.046 nan 4.420 nan 0.000 0.262 223 P C -0.564 176.663 177.300 -0.122 0.000 1.182 223 P CA 0.512 63.462 63.100 -0.251 0.000 0.761 223 P CB 0.278 31.844 31.700 -0.222 0.000 0.795 224 E N 5.772 125.951 120.200 -0.035 0.000 2.413 224 E HA -0.027 4.354 4.350 0.051 0.000 0.263 224 E C -1.167 175.506 176.600 0.121 0.000 1.015 224 E CA -1.240 55.253 56.400 0.155 0.000 0.916 224 E CB 0.091 30.021 29.700 0.383 0.000 0.947 224 E HN 0.424 nan 8.360 nan 0.000 0.440 225 P HA -0.227 nan 4.420 nan 0.000 0.220 225 P C 1.054 178.425 177.300 0.119 0.000 1.148 225 P CA 1.500 64.643 63.100 0.071 0.000 0.803 225 P CB -0.022 31.702 31.700 0.040 0.000 0.782 226 H N -1.210 117.903 119.070 0.072 0.000 2.333 226 H HA -0.066 4.521 4.556 0.052 0.000 0.302 226 H C 1.447 176.883 175.328 0.180 0.000 1.075 226 H CA 1.407 57.486 56.048 0.051 0.000 1.348 226 H CB -1.177 28.542 29.762 -0.070 0.000 1.393 226 H HN 0.296 nan 8.280 nan 0.000 0.509 227 W N -0.019 120.900 121.300 -0.635 0.000 2.714 227 W HA 0.694 5.384 4.660 0.051 0.000 0.353 227 W C 0.432 176.784 176.519 -0.278 0.000 0.999 227 W CA -1.090 56.019 57.345 -0.392 0.000 1.629 227 W CB -0.741 28.451 29.460 -0.447 0.000 1.106 227 W HN 0.424 nan 8.180 nan 0.000 0.545 228 A N 1.336 124.119 122.820 -0.061 0.000 2.667 228 A HA -0.155 4.196 4.320 0.051 0.000 0.298 228 A C -0.431 176.910 177.584 -0.405 0.000 1.483 228 A CA 1.451 53.375 52.037 -0.188 0.000 0.738 228 A CB -2.404 16.518 19.000 -0.131 0.000 1.067 228 A HN 0.468 nan 8.150 nan 0.000 0.451 229 I N 0.533 120.704 120.570 -0.665 0.000 2.647 229 I HA 0.554 4.754 4.170 0.051 0.000 0.295 229 I C -2.499 173.294 176.117 -0.541 0.000 1.078 229 I CA -2.338 58.467 61.300 -0.824 0.000 1.048 229 I CB 3.016 40.016 38.000 -1.667 0.000 1.239 229 I HN 0.209 nan 8.210 nan 0.000 0.421 230 P HA 0.329 nan 4.420 nan 0.000 0.295 230 P C -1.617 175.512 177.300 -0.285 0.000 1.319 230 P CA -0.900 61.973 63.100 -0.379 0.000 0.940 230 P CB 1.739 33.293 31.700 -0.243 0.000 1.192 231 Q N 0.817 120.497 119.800 -0.201 0.000 2.267 231 Q HA 0.491 4.862 4.340 0.051 0.000 0.255 231 Q C 1.079 177.035 176.000 -0.074 0.000 0.923 231 Q CA 0.961 56.683 55.803 -0.135 0.000 0.925 231 Q CB -0.306 28.363 28.738 -0.115 0.000 1.195 231 Q HN 0.818 nan 8.270 nan 0.000 0.417 232 G N 3.284 112.049 108.800 -0.057 0.000 2.225 232 G HA2 -0.295 3.695 3.960 0.051 0.000 0.267 232 G HA3 -0.295 3.695 3.960 0.051 0.000 0.267 232 G C -0.383 174.529 174.900 0.020 0.000 1.024 232 G CA 0.604 45.697 45.100 -0.011 0.000 0.784 232 G HN 0.545 nan 8.290 nan 0.000 0.507 233 Q N -1.165 118.633 119.800 -0.002 0.000 2.315 233 Q HA 0.557 4.928 4.340 0.051 0.000 0.273 233 Q C 0.736 176.756 176.000 0.034 0.000 1.053 233 Q CA -0.123 55.712 55.803 0.053 0.000 0.817 233 Q CB 1.806 30.616 28.738 0.119 0.000 1.326 233 Q HN 0.451 nan 8.270 nan 0.000 0.423 234 S N -0.547 115.096 115.700 -0.096 0.000 2.556 234 S HA 0.211 4.711 4.470 0.051 0.000 0.216 234 S C 0.898 175.468 174.600 -0.049 0.000 0.970 234 S CA -0.003 57.932 58.200 -0.442 0.000 0.912 234 S CB 0.401 62.844 63.200 -1.262 0.000 0.790 234 S HN 0.594 nan 8.310 nan 0.000 0.504 235 A N 2.420 125.391 122.820 0.252 0.000 3.048 235 A HA 0.499 4.850 4.320 0.051 0.000 0.264 235 A C 0.118 177.931 177.584 0.382 0.000 1.796 235 A CA -0.484 51.771 52.037 0.363 0.000 1.445 235 A CB -1.337 17.788 19.000 0.208 0.000 1.074 235 A HN 0.898 nan 8.150 nan 0.000 0.621 236 H N -3.490 115.775 119.070 0.325 0.000 3.042 236 H HA 0.501 5.088 4.556 0.052 0.000 0.346 236 H C -0.188 175.327 175.328 0.312 0.000 1.294 236 H CA -0.702 55.494 56.048 0.247 0.000 1.141 236 H CB 0.273 30.141 29.762 0.177 0.000 1.872 236 H HN 0.084 nan 8.280 nan 0.000 0.541 237 D N 0.400 120.951 120.400 0.252 0.000 2.127 237 D HA -0.246 4.425 4.640 0.051 0.000 0.190 237 D C 2.178 178.530 176.300 0.087 0.000 1.000 237 D CA 3.426 57.516 54.000 0.150 0.000 0.839 237 D CB -0.470 40.399 40.800 0.115 0.000 0.955 237 D HN 0.809 nan 8.370 nan 0.000 0.446 238 T N -1.492 113.113 114.554 0.085 0.000 2.759 238 T HA -0.249 4.132 4.350 0.051 0.000 0.269 238 T C 1.924 176.567 174.700 -0.094 0.000 1.042 238 T CA 1.066 63.185 62.100 0.033 0.000 1.140 238 T CB -0.785 68.155 68.868 0.120 0.000 0.864 238 T HN 0.186 nan 8.240 nan 0.000 0.455 239 F N 0.798 120.449 119.950 -0.498 0.000 2.075 239 F HA 0.071 4.629 4.527 0.051 0.000 0.297 239 F C 1.949 177.490 175.800 -0.431 0.000 1.113 239 F CA 0.824 58.455 58.000 -0.615 0.000 1.218 239 F CB -0.694 37.748 39.000 -0.930 0.000 0.984 239 F HN 0.160 nan 8.300 nan 0.000 0.472 240 W N 0.715 121.929 121.300 -0.144 0.000 2.425 240 W HA -0.126 4.564 4.660 0.051 0.000 0.277 240 W C 2.297 178.726 176.519 -0.151 0.000 1.231 240 W CA 1.083 58.331 57.345 -0.163 0.000 1.248 240 W CB -0.602 28.855 29.460 -0.005 0.000 1.117 240 W HN 0.124 nan 8.180 nan 0.000 0.568 241 D N -0.751 119.682 120.400 0.054 0.000 2.084 241 D HA -0.286 4.385 4.640 0.051 0.000 0.194 241 D C 1.884 178.183 176.300 -0.002 0.000 0.990 241 D CA 1.457 55.478 54.000 0.035 0.000 0.826 241 D CB -0.578 40.251 40.800 0.048 0.000 0.971 241 D HN 0.195 nan 8.370 nan 0.000 0.453 242 Y N 0.430 120.624 120.300 -0.177 0.000 2.097 242 Y HA -0.230 4.351 4.550 0.052 0.000 0.282 242 Y C 2.318 178.085 175.900 -0.222 0.000 1.152 242 Y CA 1.748 59.728 58.100 -0.199 0.000 1.136 242 Y CB -0.422 37.870 38.460 -0.279 0.000 0.975 242 Y HN -0.101 nan 8.280 nan 0.000 0.498 243 V N 0.069 119.856 119.914 -0.211 0.000 2.332 243 V HA -0.342 3.809 4.120 0.051 0.000 0.248 243 V C 2.572 178.613 176.094 -0.088 0.000 1.055 243 V CA 2.193 64.363 62.300 -0.217 0.000 1.038 243 V CB -1.211 30.348 31.823 -0.439 0.000 0.651 243 V HN 0.666 nan 8.190 nan 0.000 0.450 244 S N -0.187 115.504 115.700 -0.016 0.000 2.423 244 S HA -0.058 4.443 4.470 0.051 0.000 0.231 244 S C 1.669 176.240 174.600 -0.048 0.000 1.014 244 S CA 1.334 59.548 58.200 0.023 0.000 0.965 244 S CB -0.440 62.800 63.200 0.067 0.000 0.785 244 S HN 0.562 nan 8.310 nan 0.000 0.495 245 L N 0.096 121.242 121.223 -0.130 0.000 2.640 245 L HA 0.343 4.714 4.340 0.051 0.000 0.230 245 L C 0.389 177.090 176.870 -0.282 0.000 1.123 245 L CA 0.050 54.786 54.840 -0.172 0.000 0.900 245 L CB 0.078 42.037 42.059 -0.166 0.000 1.146 245 L HN 0.239 nan 8.230 nan 0.000 0.484 246 Q N 0.232 119.826 119.800 -0.344 0.000 3.090 246 Q HA 0.227 4.597 4.340 0.051 0.000 0.241 246 Q C -1.953 173.839 176.000 -0.346 0.000 0.958 246 Q CA -1.416 54.143 55.803 -0.407 0.000 0.715 246 Q CB 1.588 29.975 28.738 -0.586 0.000 1.298 246 Q HN -0.036 nan 8.270 nan 0.000 0.468 247 P HA -0.244 nan 4.420 nan 0.000 0.221 247 P C 1.008 178.001 177.300 -0.512 0.000 1.145 247 P CA 1.284 64.118 63.100 -0.443 0.000 0.795 247 P CB 0.276 31.648 31.700 -0.547 0.000 0.775 248 E N 0.645 120.430 120.200 -0.693 0.000 2.209 248 E HA -0.188 4.193 4.350 0.051 0.000 0.196 248 E C 1.583 178.157 176.600 -0.043 0.000 0.993 248 E CA 1.901 58.167 56.400 -0.223 0.000 0.819 248 E CB -1.331 28.305 29.700 -0.105 0.000 0.745 248 E HN 0.295 nan 8.360 nan 0.000 0.477 249 T N -0.658 113.878 114.554 -0.031 0.000 3.072 249 T HA 0.016 4.397 4.350 0.051 0.000 0.266 249 T C 1.922 176.710 174.700 0.148 0.000 1.127 249 T CA 0.445 62.599 62.100 0.090 0.000 1.107 249 T CB -0.339 68.620 68.868 0.152 0.000 0.910 249 T HN 0.164 nan 8.240 nan 0.000 0.513 250 L N 0.022 121.327 121.223 0.138 0.000 2.131 250 L HA -0.082 4.289 4.340 0.051 0.000 0.210 250 L C 2.854 179.900 176.870 0.293 0.000 1.092 250 L CA 1.788 56.776 54.840 0.248 0.000 0.759 250 L CB -0.792 41.422 42.059 0.258 0.000 0.903 250 L HN 0.488 nan 8.230 nan 0.000 0.435 251 H N 0.034 119.157 119.070 0.090 0.000 2.299 251 H HA -0.184 4.403 4.556 0.051 0.000 0.302 251 H C 2.103 177.437 175.328 0.009 0.000 1.078 251 H CA 1.731 57.829 56.048 0.084 0.000 1.323 251 H CB 0.246 30.022 29.762 0.024 0.000 1.381 251 H HN 0.372 nan 8.280 nan 0.000 0.498 252 N N -0.128 118.384 118.700 -0.314 0.000 2.331 252 N HA -0.114 4.657 4.740 0.051 0.000 0.180 252 N C 1.905 177.242 175.510 -0.288 0.000 1.019 252 N CA 0.532 53.182 53.050 -0.667 0.000 0.881 252 N CB 0.333 37.931 38.487 -1.481 0.000 0.972 252 N HN 0.114 nan 8.380 nan 0.000 0.435 253 V N 1.585 121.555 119.914 0.093 0.000 2.343 253 V HA -0.245 3.905 4.120 0.051 0.000 0.247 253 V C 2.474 178.700 176.094 0.220 0.000 1.051 253 V CA 1.209 63.706 62.300 0.328 0.000 1.036 253 V CB -0.340 31.738 31.823 0.425 0.000 0.654 253 V HN 0.396 nan 8.190 nan 0.000 0.451 254 M N -1.458 118.306 119.600 0.274 0.000 2.082 254 M HA -0.235 4.276 4.480 0.051 0.000 0.258 254 M C 2.080 178.387 176.300 0.012 0.000 1.069 254 M CA 2.029 57.492 55.300 0.271 0.000 1.102 254 M CB -1.284 31.513 32.600 0.328 0.000 1.336 254 M HN 0.476 nan 8.290 nan 0.000 0.404 255 W N 0.339 121.367 121.300 -0.453 0.000 2.358 255 W HA -0.073 4.617 4.660 0.051 0.000 0.303 255 W C 2.806 179.256 176.519 -0.115 0.000 1.208 255 W CA 1.758 58.830 57.345 -0.455 0.000 1.274 255 W CB -1.137 27.980 29.460 -0.572 0.000 1.138 255 W HN 0.306 nan 8.180 nan 0.000 0.515 256 A N -0.532 122.372 122.820 0.140 0.000 1.940 256 A HA -0.210 4.141 4.320 0.051 0.000 0.219 256 A C 1.943 179.581 177.584 0.090 0.000 1.176 256 A CA 1.858 53.978 52.037 0.140 0.000 0.631 256 A CB -0.633 18.485 19.000 0.196 0.000 0.814 256 A HN 0.105 nan 8.150 nan 0.000 0.446 257 M N 0.639 120.252 119.600 0.021 0.000 2.492 257 M HA 0.014 4.525 4.480 0.051 0.000 0.262 257 M C 1.457 177.800 176.300 0.072 0.000 1.090 257 M CA 0.774 56.029 55.300 -0.076 0.000 1.110 257 M CB -1.404 30.906 32.600 -0.483 0.000 1.407 257 M HN 0.565 nan 8.290 nan 0.000 0.470 258 S N -0.131 115.672 115.700 0.171 0.000 2.661 258 S HA 0.128 4.628 4.470 0.051 0.000 0.265 258 S C 0.770 175.501 174.600 0.220 0.000 1.225 258 S CA -0.511 57.831 58.200 0.238 0.000 0.986 258 S CB 0.979 64.371 63.200 0.320 0.000 1.008 258 S HN 0.168 nan 8.310 nan 0.000 0.565 259 D N 0.167 120.715 120.400 0.245 0.000 2.350 259 D HA 0.022 4.693 4.640 0.051 0.000 0.216 259 D C 1.912 178.356 176.300 0.241 0.000 0.968 259 D CA 0.392 54.553 54.000 0.269 0.000 0.894 259 D CB -0.155 40.864 40.800 0.365 0.000 0.909 259 D HN 0.388 nan 8.370 nan 0.000 0.520 260 R N 0.193 120.831 120.500 0.229 0.000 2.127 260 R HA -0.061 4.310 4.340 0.051 0.000 0.238 260 R C 2.098 178.553 176.300 0.259 0.000 1.134 260 R CA 1.071 57.329 56.100 0.264 0.000 0.975 260 R CB -0.784 29.735 30.300 0.364 0.000 0.865 260 R HN 0.179 nan 8.270 nan 0.000 0.447 261 G N 1.400 110.340 108.800 0.234 0.000 2.679 261 G HA2 -0.048 3.943 3.960 0.051 0.000 0.212 261 G HA3 -0.048 3.943 3.960 0.051 0.000 0.212 261 G C 1.028 176.072 174.900 0.240 0.000 1.137 261 G CA 0.166 45.397 45.100 0.218 0.000 0.787 261 G HN 0.414 nan 8.290 nan 0.000 0.534 262 I N -1.992 118.730 120.570 0.254 0.000 2.926 262 I HA 0.341 4.541 4.170 0.051 0.000 0.295 262 I C -2.856 173.420 176.117 0.265 0.000 1.463 262 I CA -2.574 58.885 61.300 0.265 0.000 0.892 262 I CB 1.662 39.821 38.000 0.265 0.000 1.874 262 I HN -0.264 nan 8.210 nan 0.000 0.620 263 P HA 0.047 nan 4.420 nan 0.000 0.266 263 P C 0.656 178.094 177.300 0.230 0.000 1.195 263 P CA -0.083 63.127 63.100 0.184 0.000 0.768 263 P CB 1.194 32.936 31.700 0.071 0.000 0.838 264 R N 2.619 123.233 120.500 0.189 0.000 2.081 264 R HA -0.060 4.310 4.340 0.051 0.000 0.235 264 R C 0.552 176.984 176.300 0.220 0.000 1.131 264 R CA 1.941 58.191 56.100 0.249 0.000 0.960 264 R CB -0.503 29.898 30.300 0.168 0.000 0.856 264 R HN 0.639 nan 8.270 nan 0.000 0.436 265 S N -3.417 112.208 115.700 -0.124 0.000 2.587 265 S HA 0.201 4.701 4.470 0.051 0.000 0.269 265 S C -0.018 174.255 174.600 -0.545 0.000 1.154 265 S CA -0.823 57.108 58.200 -0.447 0.000 0.824 265 S CB -0.069 63.019 63.200 -0.186 0.000 1.118 265 S HN 0.074 nan 8.310 nan 0.000 0.462 266 Y N 1.353 121.289 120.300 -0.607 0.000 2.274 266 Y HA 0.076 4.656 4.550 0.050 0.000 0.290 266 Y C 2.592 178.168 175.900 -0.541 0.000 1.145 266 Y CA 1.354 58.991 58.100 -0.772 0.000 1.203 266 Y CB -0.579 37.079 38.460 -1.338 0.000 0.984 266 Y HN 0.625 nan 8.280 nan 0.000 0.533 267 R N -0.400 119.974 120.500 -0.210 0.000 2.127 267 R HA -0.097 4.274 4.340 0.051 0.000 0.238 267 R C 1.162 177.422 176.300 -0.068 0.000 1.134 267 R CA 1.650 57.672 56.100 -0.131 0.000 0.975 267 R CB -0.413 29.805 30.300 -0.138 0.000 0.865 267 R HN 0.344 nan 8.270 nan 0.000 0.447 268 T N -1.711 112.815 114.554 -0.047 0.000 3.256 268 T HA 0.384 4.764 4.350 0.051 0.000 0.249 268 T C 0.094 174.832 174.700 0.063 0.000 0.975 268 T CA -0.673 61.431 62.100 0.007 0.000 1.011 268 T CB -0.202 68.653 68.868 -0.020 0.000 1.127 268 T HN 0.085 nan 8.240 nan 0.000 0.543 269 M N -1.221 118.456 119.600 0.129 0.000 2.550 269 M HA 0.711 5.222 4.480 0.051 0.000 0.292 269 M C -1.157 175.307 176.300 0.273 0.000 1.221 269 M CA -0.881 54.531 55.300 0.186 0.000 0.873 269 M CB 2.200 34.902 32.600 0.169 0.000 1.727 269 M HN -0.114 nan 8.290 nan 0.000 0.459 270 E N 0.646 121.000 120.200 0.256 0.000 2.342 270 E HA 0.667 5.047 4.350 0.051 0.000 0.257 270 E C -0.207 176.440 176.600 0.079 0.000 1.150 270 E CA -0.525 55.952 56.400 0.128 0.000 0.926 270 E CB 1.504 31.200 29.700 -0.007 0.000 1.074 270 E HN 0.861 nan 8.360 nan 0.000 0.449 271 G N 0.645 109.319 108.800 -0.208 0.000 2.571 271 G HA2 0.622 4.612 3.960 0.051 0.000 0.304 271 G HA3 0.622 4.612 3.960 0.051 0.000 0.304 271 G C -1.526 173.012 174.900 -0.603 0.000 1.314 271 G CA -0.501 44.496 45.100 -0.171 0.000 0.975 271 G HN 0.280 nan 8.290 nan 0.000 0.485 272 F N -0.218 119.677 119.950 -0.092 0.000 2.608 272 F HA 0.502 5.059 4.527 0.051 0.000 0.309 272 F C 1.089 176.805 175.800 -0.141 0.000 1.103 272 F CA -0.512 57.354 58.000 -0.222 0.000 0.954 272 F CB 2.530 41.344 39.000 -0.310 0.000 1.267 272 F HN 0.613 nan 8.300 nan 0.000 0.444 273 G N 0.930 109.796 108.800 0.110 0.000 2.572 273 G HA2 0.093 4.083 3.960 0.051 0.000 0.216 273 G HA3 0.093 4.083 3.960 0.051 0.000 0.216 273 G C 1.239 176.211 174.900 0.121 0.000 1.133 273 G CA 0.906 46.137 45.100 0.217 0.000 0.791 273 G HN 0.807 nan 8.290 nan 0.000 0.538 274 I N -1.119 119.429 120.570 -0.038 0.000 4.608 274 I HA -0.334 3.866 4.170 0.051 0.000 0.051 274 I C 0.685 176.642 176.117 -0.266 0.000 0.619 274 I CA 1.680 62.826 61.300 -0.257 0.000 0.844 274 I CB -1.164 36.580 38.000 -0.427 0.000 0.772 274 I HN 0.273 nan 8.210 nan 0.000 0.161 275 H N 1.900 120.963 119.070 -0.011 0.000 2.679 275 H HA 0.253 4.839 4.556 0.051 0.000 0.369 275 H C 0.073 175.326 175.328 -0.125 0.000 1.178 275 H CA 0.466 56.423 56.048 -0.151 0.000 1.419 275 H CB 0.355 29.876 29.762 -0.402 0.000 1.458 275 H HN 0.174 nan 8.280 nan 0.000 0.605 276 T N 3.378 117.892 114.554 -0.067 0.000 2.761 276 T HA 0.239 4.619 4.350 0.051 0.000 0.296 276 T C 0.157 174.796 174.700 -0.101 0.000 0.934 276 T CA -0.020 62.029 62.100 -0.085 0.000 1.091 276 T CB -0.176 68.589 68.868 -0.171 0.000 0.896 276 T HN 0.232 nan 8.240 nan 0.000 0.515 277 F N 1.422 121.325 119.950 -0.078 0.000 2.629 277 F HA 0.661 5.218 4.527 0.051 0.000 0.386 277 F C 1.022 176.778 175.800 -0.074 0.000 1.135 277 F CA -1.272 56.712 58.000 -0.027 0.000 1.116 277 F CB 1.337 40.316 39.000 -0.034 0.000 1.426 277 F HN 0.185 nan 8.300 nan 0.000 0.501 278 R N 0.618 121.184 120.500 0.110 0.000 2.686 278 R HA 0.611 4.981 4.340 0.051 0.000 0.286 278 R C -1.671 174.512 176.300 -0.194 0.000 0.969 278 R CA -0.868 55.160 56.100 -0.119 0.000 0.898 278 R CB 2.039 32.209 30.300 -0.217 0.000 1.183 278 R HN 0.430 nan 8.270 nan 0.000 0.456 279 L N 3.801 124.858 121.223 -0.277 0.000 2.309 279 L HA 0.522 4.893 4.340 0.051 0.000 0.282 279 L C -0.537 176.169 176.870 -0.272 0.000 1.036 279 L CA -0.863 53.818 54.840 -0.265 0.000 0.806 279 L CB 1.343 43.241 42.059 -0.267 0.000 1.220 279 L HN 0.393 nan 8.230 nan 0.000 0.429 280 I N 3.105 123.539 120.570 -0.227 0.000 2.439 280 I HA 0.257 4.457 4.170 0.051 0.000 0.285 280 I C -0.215 175.809 176.117 -0.154 0.000 1.021 280 I CA -0.735 60.433 61.300 -0.220 0.000 1.091 280 I CB 1.351 39.229 38.000 -0.204 0.000 1.242 280 I HN 0.605 nan 8.210 nan 0.000 0.439 281 N N 4.963 123.584 118.700 -0.131 0.000 2.476 281 N HA 0.396 5.167 4.740 0.051 0.000 0.287 281 N C 0.923 176.390 175.510 -0.072 0.000 1.262 281 N CA -0.321 52.673 53.050 -0.092 0.000 0.980 281 N CB 0.515 38.956 38.487 -0.077 0.000 1.163 281 N HN 0.499 nan 8.380 nan 0.000 0.592 282 A N -0.782 122.006 122.820 -0.054 0.000 2.019 282 A HA -0.105 4.246 4.320 0.051 0.000 0.219 282 A C 1.440 179.003 177.584 -0.035 0.000 1.164 282 A CA 1.334 53.346 52.037 -0.041 0.000 0.644 282 A CB -0.762 18.221 19.000 -0.030 0.000 0.805 282 A HN 0.730 nan 8.150 nan 0.000 0.449 283 E N -1.235 118.945 120.200 -0.034 0.000 2.476 283 E HA 0.312 4.693 4.350 0.051 0.000 0.191 283 E C 1.084 177.673 176.600 -0.020 0.000 1.064 283 E CA 0.677 57.062 56.400 -0.025 0.000 0.866 283 E CB -0.235 29.452 29.700 -0.023 0.000 0.952 283 E HN 0.699 nan 8.360 nan 0.000 0.492 284 G N 1.303 110.088 108.800 -0.024 0.000 2.136 284 G HA2 -0.363 3.628 3.960 0.051 0.000 0.242 284 G HA3 -0.363 3.628 3.960 0.051 0.000 0.242 284 G C 0.235 175.148 174.900 0.022 0.000 0.989 284 G CA 0.446 45.549 45.100 0.005 0.000 0.682 284 G HN 0.283 nan 8.290 nan 0.000 0.522 285 K N 0.470 120.840 120.400 -0.051 0.000 2.201 285 K HA 0.727 5.078 4.320 0.051 0.000 0.278 285 K C 0.430 176.880 176.600 -0.250 0.000 1.027 285 K CA 0.020 56.246 56.287 -0.101 0.000 0.909 285 K CB 0.871 33.321 32.500 -0.084 0.000 1.062 285 K HN 0.593 nan 8.250 nan 0.000 0.465 286 A N 3.219 125.778 122.820 -0.435 0.000 2.305 286 A HA 0.466 4.816 4.320 0.051 0.000 0.322 286 A C -0.809 176.460 177.584 -0.525 0.000 1.187 286 A CA -0.541 51.096 52.037 -0.668 0.000 0.825 286 A CB 1.194 19.389 19.000 -1.341 0.000 1.164 286 A HN 0.730 nan 8.150 nan 0.000 0.498 287 T N 2.260 116.542 114.554 -0.454 0.000 2.841 287 T HA 0.545 4.925 4.350 0.051 0.000 0.283 287 T C -0.624 173.855 174.700 -0.368 0.000 1.000 287 T CA -0.095 61.791 62.100 -0.357 0.000 0.977 287 T CB 0.490 69.234 68.868 -0.206 0.000 0.979 287 T HN 0.341 nan 8.240 nan 0.000 0.446 288 F N 2.030 121.878 119.950 -0.169 0.000 2.459 288 F HA 0.531 5.089 4.527 0.051 0.000 0.346 288 F C 0.568 176.237 175.800 -0.218 0.000 1.128 288 F CA -0.408 57.486 58.000 -0.176 0.000 1.268 288 F CB 0.729 39.646 39.000 -0.139 0.000 1.161 288 F HN 0.196 nan 8.300 nan 0.000 0.583 289 V N 4.524 124.389 119.914 -0.082 0.000 2.888 289 V HA 0.588 4.739 4.120 0.051 0.000 0.309 289 V C -1.086 174.778 176.094 -0.384 0.000 1.114 289 V CA -0.781 61.322 62.300 -0.328 0.000 0.940 289 V CB 2.128 33.535 31.823 -0.695 0.000 1.021 289 V HN 0.767 nan 8.190 nan 0.000 0.426 290 R N 4.819 125.155 120.500 -0.273 0.000 2.494 290 R HA 0.538 4.909 4.340 0.051 0.000 0.305 290 R C -1.601 174.651 176.300 -0.080 0.000 0.959 290 R CA -0.473 55.525 56.100 -0.171 0.000 0.864 290 R CB 1.888 32.196 30.300 0.013 0.000 1.159 290 R HN 0.609 nan 8.270 nan 0.000 0.446 291 F N 2.748 122.763 119.950 0.108 0.000 2.410 291 F HA 0.299 4.857 4.527 0.051 0.000 0.348 291 F C 1.043 176.804 175.800 -0.065 0.000 1.106 291 F CA 0.048 58.078 58.000 0.051 0.000 1.163 291 F CB 0.698 39.623 39.000 -0.124 0.000 1.129 291 F HN 0.219 nan 8.300 nan 0.000 0.516 292 H N 1.402 120.487 119.070 0.026 0.000 2.690 292 H HA 0.274 4.861 4.556 0.051 0.000 0.368 292 H C -1.461 173.646 175.328 -0.369 0.000 1.150 292 H CA -0.962 54.996 56.048 -0.150 0.000 1.174 292 H CB 1.916 31.674 29.762 -0.006 0.000 1.684 292 H HN 0.662 nan 8.280 nan 0.000 0.538 293 W N 2.312 123.520 121.300 -0.153 0.000 2.538 293 W HA 0.306 4.997 4.660 0.051 0.000 0.322 293 W C -0.167 176.372 176.519 0.033 0.000 1.028 293 W CA -0.790 56.498 57.345 -0.095 0.000 1.228 293 W CB 1.675 30.904 29.460 -0.386 0.000 1.356 293 W HN 0.313 nan 8.180 nan 0.000 0.452 294 K N 5.685 126.340 120.400 0.426 0.000 2.235 294 K HA 0.416 4.767 4.320 0.051 0.000 0.266 294 K C -2.422 174.412 176.600 0.390 0.000 0.980 294 K CA -1.931 54.550 56.287 0.323 0.000 0.849 294 K CB 1.515 34.159 32.500 0.239 0.000 1.098 294 K HN 0.032 nan 8.250 nan 0.000 0.445 295 P HA 0.049 nan 4.420 nan 0.000 0.275 295 P C 0.310 177.639 177.300 0.047 0.000 1.276 295 P CA -0.066 63.136 63.100 0.170 0.000 0.782 295 P CB 0.671 32.477 31.700 0.177 0.000 0.851 296 L N 2.662 123.860 121.223 -0.042 0.000 2.456 296 L HA -0.080 4.290 4.340 0.051 0.000 0.224 296 L C 2.157 179.010 176.870 -0.027 0.000 1.148 296 L CA 1.048 55.884 54.840 -0.007 0.000 0.825 296 L CB -0.569 41.490 42.059 -0.001 0.000 0.937 296 L HN 0.334 nan 8.230 nan 0.000 0.450 297 A N -0.107 122.670 122.820 -0.070 0.000 2.251 297 A HA 0.427 4.777 4.320 0.051 0.000 0.209 297 A C 1.248 178.829 177.584 -0.005 0.000 1.187 297 A CA 0.654 52.663 52.037 -0.047 0.000 0.823 297 A CB -0.256 18.696 19.000 -0.081 0.000 0.846 297 A HN 0.446 nan 8.150 nan 0.000 0.486 298 G N -0.588 108.226 108.800 0.023 0.000 2.712 298 G HA2 -0.117 3.874 3.960 0.051 0.000 0.683 298 G HA3 -0.117 3.874 3.960 0.051 0.000 0.683 298 G C -0.680 174.255 174.900 0.059 0.000 1.320 298 G CA -0.480 44.654 45.100 0.056 0.000 0.847 298 G HN 0.441 nan 8.290 nan 0.000 0.553 299 K N 0.165 120.611 120.400 0.076 0.000 2.201 299 K HA 0.708 5.059 4.320 0.051 0.000 0.278 299 K C 0.211 176.836 176.600 0.041 0.000 1.027 299 K CA 0.243 56.565 56.287 0.058 0.000 0.909 299 K CB 1.714 34.239 32.500 0.042 0.000 1.062 299 K HN 1.499 nan 8.250 nan 0.000 0.465 300 A N 1.758 124.588 122.820 0.016 0.000 2.555 300 A HA 0.568 4.918 4.320 0.051 0.000 0.297 300 A C -1.166 176.480 177.584 0.104 0.000 1.060 300 A CA -0.672 51.347 52.037 -0.030 0.000 0.710 300 A CB 1.740 20.514 19.000 -0.377 0.000 1.282 300 A HN 0.500 nan 8.150 nan 0.000 0.399 301 S N 0.495 116.414 115.700 0.364 0.000 2.632 301 S HA 0.761 5.262 4.470 0.051 0.000 0.289 301 S C -0.062 174.858 174.600 0.532 0.000 1.115 301 S CA -0.615 57.825 58.200 0.401 0.000 0.889 301 S CB 1.202 64.630 63.200 0.381 0.000 1.116 301 S HN 0.662 nan 8.310 nan 0.000 0.486 302 L N 1.253 122.679 121.223 0.339 0.000 2.505 302 L HA 0.578 4.949 4.340 0.051 0.000 0.226 302 L C 0.030 177.014 176.870 0.190 0.000 1.211 302 L CA -0.848 54.117 54.840 0.207 0.000 0.828 302 L CB 0.023 42.112 42.059 0.049 0.000 1.331 302 L HN 0.469 nan 8.230 nan 0.000 0.513 303 V N -3.399 116.523 119.914 0.014 0.000 2.769 303 V HA 0.179 4.329 4.120 0.051 0.000 0.312 303 V C 0.715 176.766 176.094 -0.072 0.000 1.058 303 V CA -0.834 61.447 62.300 -0.032 0.000 0.952 303 V CB 1.575 33.354 31.823 -0.074 0.000 1.019 303 V HN 0.930 nan 8.190 nan 0.000 0.445 304 W N 2.032 123.203 121.300 -0.214 0.000 2.301 304 W HA -0.293 4.397 4.660 0.050 0.000 0.325 304 W C 1.861 178.232 176.519 -0.246 0.000 1.250 304 W CA 2.751 59.965 57.345 -0.218 0.000 1.261 304 W CB -0.146 29.166 29.460 -0.247 0.000 1.157 304 W HN 1.010 nan 8.180 nan 0.000 0.473 305 D N 0.042 120.181 120.400 -0.435 0.000 2.116 305 D HA -0.308 4.363 4.640 0.051 0.000 0.193 305 D C 2.162 178.113 176.300 -0.581 0.000 0.998 305 D CA 2.353 56.067 54.000 -0.476 0.000 0.836 305 D CB -0.575 40.209 40.800 -0.028 0.000 0.951 305 D HN 0.382 nan 8.370 nan 0.000 0.449 306 E N -0.431 119.273 120.200 -0.827 0.000 2.051 306 E HA -0.215 4.166 4.350 0.051 0.000 0.192 306 E C 2.047 178.301 176.600 -0.576 0.000 0.991 306 E CA 1.044 56.895 56.400 -0.916 0.000 0.799 306 E CB -0.240 28.812 29.700 -1.079 0.000 0.748 306 E HN 0.314 nan 8.360 nan 0.000 0.449 307 A N 1.295 123.810 122.820 -0.508 0.000 1.873 307 A HA -0.300 4.050 4.320 0.051 0.000 0.218 307 A C 2.205 179.464 177.584 -0.542 0.000 1.193 307 A CA 2.016 53.798 52.037 -0.425 0.000 0.629 307 A CB -0.882 17.974 19.000 -0.241 0.000 0.826 307 A HN 0.454 nan 8.150 nan 0.000 0.447 308 Q N -0.421 118.844 119.800 -0.892 0.000 2.050 308 Q HA -0.218 4.153 4.340 0.051 0.000 0.202 308 Q C 2.083 177.815 176.000 -0.446 0.000 0.980 308 Q CA 1.941 57.263 55.803 -0.802 0.000 0.840 308 Q CB -0.142 27.863 28.738 -1.222 0.000 0.898 308 Q HN 0.701 nan 8.270 nan 0.000 0.424 309 K N 0.085 120.241 120.400 -0.408 0.000 2.103 309 K HA -0.177 4.174 4.320 0.051 0.000 0.207 309 K C 2.080 178.538 176.600 -0.236 0.000 1.048 309 K CA 0.989 57.127 56.287 -0.249 0.000 0.930 309 K CB -0.193 32.204 32.500 -0.171 0.000 0.716 309 K HN 0.163 nan 8.250 nan 0.000 0.444 310 L N 1.654 122.693 121.223 -0.307 0.000 2.131 310 L HA -0.152 4.219 4.340 0.051 0.000 0.210 310 L C 2.367 179.098 176.870 -0.232 0.000 1.092 310 L CA 1.978 56.631 54.840 -0.312 0.000 0.759 310 L CB -0.963 40.821 42.059 -0.459 0.000 0.903 310 L HN 0.330 nan 8.230 nan 0.000 0.435 311 T N -4.361 110.063 114.554 -0.217 0.000 2.881 311 T HA -0.082 4.299 4.350 0.051 0.000 0.270 311 T C 1.871 176.507 174.700 -0.107 0.000 1.068 311 T CA 1.014 63.028 62.100 -0.143 0.000 1.131 311 T CB -1.025 67.770 68.868 -0.121 0.000 0.871 311 T HN 0.377 nan 8.240 nan 0.000 0.479 312 G N 1.362 110.093 108.800 -0.115 0.000 2.408 312 G HA2 -0.026 3.965 3.960 0.051 0.000 0.213 312 G HA3 -0.026 3.965 3.960 0.051 0.000 0.213 312 G C 1.908 176.763 174.900 -0.075 0.000 1.177 312 G CA -0.182 44.866 45.100 -0.085 0.000 0.802 312 G HN 0.327 nan 8.290 nan 0.000 0.533 313 R N 0.313 120.759 120.500 -0.091 0.000 2.115 313 R HA 0.043 4.413 4.340 0.051 0.000 0.226 313 R C -0.124 176.146 176.300 -0.050 0.000 1.100 313 R CA 0.861 56.919 56.100 -0.069 0.000 0.980 313 R CB -0.262 29.989 30.300 -0.082 0.000 0.875 313 R HN 0.353 nan 8.270 nan 0.000 0.445 314 D N -0.522 119.842 120.400 -0.059 0.000 2.445 314 D HA 0.142 4.813 4.640 0.051 0.000 0.236 314 D C -2.112 174.185 176.300 -0.004 0.000 1.315 314 D CA -1.703 52.295 54.000 -0.004 0.000 0.924 314 D CB 1.271 42.117 40.800 0.078 0.000 1.447 314 D HN -0.157 nan 8.370 nan 0.000 0.532 315 P HA -0.018 nan 4.420 nan 0.000 0.225 315 P C 0.064 177.366 177.300 0.003 0.000 1.148 315 P CA 0.736 63.821 63.100 -0.024 0.000 0.779 315 P CB 0.463 32.146 31.700 -0.028 0.000 0.780 316 D N -1.536 118.877 120.400 0.022 0.000 2.427 316 D HA 0.075 4.746 4.640 0.051 0.000 0.224 316 D C 1.200 177.535 176.300 0.058 0.000 1.157 316 D CA -0.430 53.589 54.000 0.030 0.000 0.828 316 D CB -0.579 40.217 40.800 -0.007 0.000 0.974 316 D HN 0.123 nan 8.370 nan 0.000 0.498 317 F N 1.249 121.141 119.950 -0.096 0.000 2.126 317 F HA -0.223 4.334 4.527 0.050 0.000 0.299 317 F C 2.072 177.840 175.800 -0.053 0.000 1.096 317 F CA 1.844 59.785 58.000 -0.099 0.000 1.255 317 F CB 0.059 38.955 39.000 -0.174 0.000 0.997 317 F HN 0.107 nan 8.300 nan 0.000 0.479 318 H N -1.191 117.802 119.070 -0.128 0.000 2.395 318 H HA -0.096 4.491 4.556 0.051 0.000 0.299 318 H C 2.385 177.591 175.328 -0.202 0.000 1.070 318 H CA 0.937 56.752 56.048 -0.388 0.000 1.356 318 H CB -0.102 29.225 29.762 -0.724 0.000 1.401 318 H HN 0.184 nan 8.280 nan 0.000 0.524 319 R N 1.238 121.817 120.500 0.131 0.000 2.070 319 R HA -0.139 4.232 4.340 0.051 0.000 0.233 319 R C 2.467 178.858 176.300 0.153 0.000 1.137 319 R CA 1.430 57.662 56.100 0.220 0.000 0.945 319 R CB -0.060 30.355 30.300 0.191 0.000 0.845 319 R HN 0.179 nan 8.270 nan 0.000 0.430 320 R N 0.337 120.854 120.500 0.028 0.000 2.083 320 R HA -0.170 4.201 4.340 0.051 0.000 0.237 320 R C 2.211 178.501 176.300 -0.017 0.000 1.137 320 R CA 1.796 57.896 56.100 0.001 0.000 0.951 320 R CB -0.278 29.987 30.300 -0.057 0.000 0.851 320 R HN 0.296 nan 8.270 nan 0.000 0.434 321 E N 0.723 120.801 120.200 -0.204 0.000 2.058 321 E HA -0.223 4.158 4.350 0.051 0.000 0.194 321 E C 2.017 178.588 176.600 -0.048 0.000 0.997 321 E CA 1.347 57.606 56.400 -0.234 0.000 0.801 321 E CB -0.181 29.230 29.700 -0.481 0.000 0.746 321 E HN 0.259 nan 8.360 nan 0.000 0.450 322 L N 0.818 122.057 121.223 0.027 0.000 2.017 322 L HA -0.164 4.207 4.340 0.051 0.000 0.208 322 L C 2.270 179.252 176.870 0.186 0.000 1.073 322 L CA 1.943 56.855 54.840 0.120 0.000 0.745 322 L CB -0.968 41.236 42.059 0.242 0.000 0.894 322 L HN 0.322 nan 8.230 nan 0.000 0.432 323 W N 0.770 122.109 121.300 0.065 0.000 2.358 323 W HA -0.193 4.498 4.660 0.052 0.000 0.303 323 W C 2.189 178.739 176.519 0.053 0.000 1.208 323 W CA 2.046 59.440 57.345 0.081 0.000 1.274 323 W CB -0.041 29.471 29.460 0.086 0.000 1.138 323 W HN 0.363 nan 8.180 nan 0.000 0.515 324 E N -0.162 120.202 120.200 0.274 0.000 2.158 324 E HA -0.093 4.288 4.350 0.051 0.000 0.191 324 E C 2.357 178.990 176.600 0.054 0.000 0.982 324 E CA 0.905 57.397 56.400 0.154 0.000 0.823 324 E CB -0.260 29.485 29.700 0.074 0.000 0.766 324 E HN 0.155 nan 8.360 nan 0.000 0.468 325 A N 1.192 124.041 122.820 0.047 0.000 1.902 325 A HA -0.166 4.185 4.320 0.051 0.000 0.217 325 A C 2.138 179.738 177.584 0.026 0.000 1.181 325 A CA 1.027 53.081 52.037 0.028 0.000 0.623 325 A CB -0.514 18.502 19.000 0.026 0.000 0.818 325 A HN 0.136 nan 8.150 nan 0.000 0.443 326 I N -0.468 120.144 120.570 0.071 0.000 2.286 326 I HA -0.231 3.969 4.170 0.051 0.000 0.248 326 I C 2.453 178.638 176.117 0.113 0.000 1.115 326 I CA 1.359 62.757 61.300 0.163 0.000 1.392 326 I CB -0.292 37.746 38.000 0.063 0.000 1.065 326 I HN 0.418 nan 8.210 nan 0.000 0.418 327 E N 0.663 120.877 120.200 0.023 0.000 2.152 327 E HA -0.148 4.232 4.350 0.051 0.000 0.192 327 E C 2.227 178.836 176.600 0.015 0.000 0.983 327 E CA 1.086 57.507 56.400 0.035 0.000 0.818 327 E CB -0.051 29.700 29.700 0.084 0.000 0.758 327 E HN 0.499 nan 8.360 nan 0.000 0.467 328 A N 0.074 122.879 122.820 -0.025 0.000 2.119 328 A HA 0.145 4.495 4.320 0.051 0.000 0.216 328 A C 1.824 179.334 177.584 -0.123 0.000 1.152 328 A CA 1.132 53.132 52.037 -0.061 0.000 0.708 328 A CB -0.148 18.809 19.000 -0.072 0.000 0.805 328 A HN 0.355 nan 8.150 nan 0.000 0.460 329 G N -0.804 107.833 108.800 -0.273 0.000 2.175 329 G HA2 -0.192 3.799 3.960 0.051 0.000 0.244 329 G HA3 -0.192 3.799 3.960 0.051 0.000 0.244 329 G C -0.073 174.282 174.900 -0.909 0.000 0.982 329 G CA 0.270 44.937 45.100 -0.723 0.000 0.641 329 G HN 0.396 nan 8.290 nan 0.000 0.527 330 D N 1.105 121.238 120.400 -0.446 0.000 3.032 330 D HA 0.275 4.945 4.640 0.051 0.000 0.241 330 D C 0.832 177.038 176.300 -0.156 0.000 1.196 330 D CA -0.177 53.678 54.000 -0.243 0.000 0.927 330 D CB -0.803 39.968 40.800 -0.050 0.000 1.129 330 D HN 0.456 nan 8.370 nan 0.000 0.458 331 F N 1.199 121.147 119.950 -0.003 0.000 2.602 331 F HA 0.085 4.642 4.527 0.051 0.000 0.385 331 F C -1.374 174.389 175.800 -0.062 0.000 1.063 331 F CA -1.902 56.087 58.000 -0.019 0.000 1.233 331 F CB -0.127 38.873 39.000 0.000 0.000 1.067 331 F HN -0.091 nan 8.300 nan 0.000 0.564 332 P HA 0.029 nan 4.420 nan 0.000 0.263 332 P C -1.023 176.186 177.300 -0.151 0.000 1.195 332 P CA 0.324 63.382 63.100 -0.070 0.000 0.762 332 P CB 0.451 32.174 31.700 0.039 0.000 0.799 333 E N 2.546 122.527 120.200 -0.365 0.000 2.210 333 E HA 0.428 4.808 4.350 0.051 0.000 0.266 333 E C -1.049 175.269 176.600 -0.469 0.000 0.883 333 E CA -0.561 55.684 56.400 -0.259 0.000 0.761 333 E CB 1.330 30.986 29.700 -0.075 0.000 1.156 333 E HN 0.384 nan 8.360 nan 0.000 0.412 334 Y N 0.450 120.821 120.300 0.119 0.000 2.477 334 Y HA 0.255 4.835 4.550 0.051 0.000 0.347 334 Y C -0.230 175.889 175.900 0.365 0.000 0.981 334 Y CA -0.966 57.275 58.100 0.234 0.000 1.033 334 Y CB 1.988 40.573 38.460 0.208 0.000 1.245 334 Y HN 0.451 nan 8.280 nan 0.000 0.455 335 E N 2.909 123.436 120.200 0.546 0.000 2.113 335 E HA 0.372 4.753 4.350 0.051 0.000 0.273 335 E C -1.438 175.419 176.600 0.428 0.000 0.924 335 E CA -0.969 55.696 56.400 0.441 0.000 0.764 335 E CB 0.953 30.852 29.700 0.331 0.000 1.104 335 E HN 0.609 nan 8.360 nan 0.000 0.406 336 L N 4.346 125.772 121.223 0.337 0.000 2.455 336 L HA 0.430 4.801 4.340 0.051 0.000 0.272 336 L C -0.008 176.787 176.870 -0.124 0.000 1.174 336 L CA 0.818 55.579 54.840 -0.131 0.000 0.869 336 L CB 0.892 42.804 42.059 -0.246 0.000 1.130 336 L HN 0.585 nan 8.230 nan 0.000 0.474 337 G N 4.588 113.319 108.800 -0.115 0.000 2.620 337 G HA2 0.562 4.553 3.960 0.051 0.000 0.301 337 G HA3 0.562 4.553 3.960 0.051 0.000 0.301 337 G C -1.608 173.396 174.900 0.174 0.000 1.347 337 G CA -0.509 44.566 45.100 -0.041 0.000 0.971 337 G HN 0.459 nan 8.290 nan 0.000 0.488 338 F N 0.221 120.178 119.950 0.011 0.000 2.507 338 F HA 0.405 4.962 4.527 0.051 0.000 0.325 338 F C 0.297 176.073 175.800 -0.040 0.000 1.116 338 F CA -0.981 57.024 58.000 0.008 0.000 0.930 338 F CB 2.666 41.662 39.000 -0.007 0.000 1.146 338 F HN 0.134 nan 8.300 nan 0.000 0.447 339 Q N 4.485 124.378 119.800 0.156 0.000 2.340 339 Q HA 0.506 4.877 4.340 0.051 0.000 0.259 339 Q C -1.118 174.910 176.000 0.047 0.000 0.964 339 Q CA -0.481 55.362 55.803 0.066 0.000 0.900 339 Q CB 2.159 30.940 28.738 0.072 0.000 1.228 339 Q HN 0.535 nan 8.270 nan 0.000 0.449 340 L N 4.047 125.307 121.223 0.061 0.000 2.322 340 L HA 0.591 4.962 4.340 0.051 0.000 0.281 340 L C -0.795 176.119 176.870 0.072 0.000 1.014 340 L CA -0.848 54.017 54.840 0.041 0.000 0.815 340 L CB 1.212 43.300 42.059 0.049 0.000 1.247 340 L HN 0.499 nan 8.230 nan 0.000 0.421 341 I N 4.274 124.902 120.570 0.096 0.000 2.478 341 I HA 0.406 4.607 4.170 0.051 0.000 0.287 341 I C -2.314 173.906 176.117 0.172 0.000 1.042 341 I CA -1.832 59.566 61.300 0.164 0.000 1.067 341 I CB 1.833 39.953 38.000 0.200 0.000 1.233 341 I HN 0.299 nan 8.210 nan 0.000 0.431 342 P HA 0.027 nan 4.420 nan 0.000 0.267 342 P C 0.720 178.078 177.300 0.097 0.000 1.200 342 P CA -0.086 63.045 63.100 0.051 0.000 0.772 342 P CB 0.812 32.537 31.700 0.041 0.000 0.855 343 E N 2.414 122.579 120.200 -0.058 0.000 2.118 343 E HA -0.245 4.136 4.350 0.051 0.000 0.195 343 E C 1.360 178.026 176.600 0.110 0.000 0.992 343 E CA 1.052 57.411 56.400 -0.069 0.000 0.804 343 E CB 0.025 29.599 29.700 -0.209 0.000 0.741 343 E HN 0.489 nan 8.360 nan 0.000 0.458 344 E N 0.173 120.417 120.200 0.074 0.000 2.418 344 E HA -0.163 4.217 4.350 0.051 0.000 0.197 344 E C 0.372 177.031 176.600 0.098 0.000 1.026 344 E CA 0.761 57.215 56.400 0.091 0.000 0.862 344 E CB 0.009 29.744 29.700 0.059 0.000 0.799 344 E HN 0.230 nan 8.360 nan 0.000 0.518 345 D N 1.355 121.819 120.400 0.107 0.000 2.358 345 D HA -0.003 4.667 4.640 0.051 0.000 0.224 345 D C 1.348 177.695 176.300 0.077 0.000 1.123 345 D CA 0.057 54.106 54.000 0.082 0.000 0.833 345 D CB 0.172 41.038 40.800 0.110 0.000 0.946 345 D HN 0.421 nan 8.370 nan 0.000 0.505 346 E N -0.117 120.082 120.200 -0.001 0.000 2.097 346 E HA -0.188 4.193 4.350 0.051 0.000 0.196 346 E C 0.292 176.569 176.600 -0.538 0.000 1.000 346 E CA 1.020 57.203 56.400 -0.360 0.000 0.804 346 E CB 0.025 29.381 29.700 -0.574 0.000 0.740 346 E HN 0.251 nan 8.360 nan 0.000 0.454 347 F N -0.065 119.906 119.950 0.036 0.000 2.837 347 F HA 0.306 4.863 4.527 0.051 0.000 0.298 347 F C 1.167 176.920 175.800 -0.078 0.000 1.161 347 F CA -0.300 57.694 58.000 -0.010 0.000 1.353 347 F CB 0.600 39.596 39.000 -0.006 0.000 0.951 347 F HN -0.175 nan 8.300 nan 0.000 0.508 348 K N -0.129 120.221 120.400 -0.082 0.000 2.404 348 K HA 0.162 4.512 4.320 0.051 0.000 0.194 348 K C -0.086 176.152 176.600 -0.603 0.000 1.023 348 K CA 0.196 56.273 56.287 -0.349 0.000 1.094 348 K CB 0.327 32.552 32.500 -0.459 0.000 0.841 348 K HN 0.165 nan 8.250 nan 0.000 0.523 349 F N 0.414 120.218 119.950 -0.243 0.000 2.411 349 F HA 0.131 4.689 4.527 0.051 0.000 0.324 349 F C 1.328 176.946 175.800 -0.304 0.000 1.086 349 F CA -0.827 56.935 58.000 -0.398 0.000 1.028 349 F CB 0.677 39.078 39.000 -1.000 0.000 1.284 349 F HN -0.181 nan 8.300 nan 0.000 0.501 350 D N 0.197 120.598 120.400 0.002 0.000 2.347 350 D HA 0.004 4.674 4.640 0.051 0.000 0.215 350 D C -0.203 176.189 176.300 0.153 0.000 0.976 350 D CA 0.959 55.027 54.000 0.114 0.000 0.884 350 D CB -0.177 40.770 40.800 0.244 0.000 0.915 350 D HN 0.255 nan 8.370 nan 0.000 0.526 351 F N -1.062 118.965 119.950 0.128 0.000 2.598 351 F HA 0.491 5.048 4.527 0.051 0.000 0.327 351 F C -0.047 175.735 175.800 -0.030 0.000 1.057 351 F CA -1.597 56.397 58.000 -0.010 0.000 0.957 351 F CB 0.842 39.778 39.000 -0.107 0.000 1.278 351 F HN -0.407 nan 8.300 nan 0.000 0.484 352 D N 1.549 121.959 120.400 0.016 0.000 2.308 352 D HA 0.196 4.867 4.640 0.051 0.000 0.251 352 D C 1.025 177.252 176.300 -0.121 0.000 1.127 352 D CA -0.051 53.903 54.000 -0.076 0.000 0.876 352 D CB 1.485 42.258 40.800 -0.044 0.000 1.176 352 D HN 0.731 nan 8.370 nan 0.000 0.446 353 L N 3.392 124.473 121.223 -0.236 0.000 2.191 353 L HA -0.141 4.229 4.340 0.051 0.000 0.212 353 L C 2.023 178.740 176.870 -0.256 0.000 1.103 353 L CA 0.731 55.395 54.840 -0.294 0.000 0.769 353 L CB -0.140 41.589 42.059 -0.550 0.000 0.908 353 L HN 0.453 nan 8.230 nan 0.000 0.438 354 L N -1.031 120.073 121.223 -0.199 0.000 2.599 354 L HA 0.041 4.412 4.340 0.051 0.000 0.230 354 L C 0.509 177.283 176.870 -0.161 0.000 1.141 354 L CA -0.102 54.692 54.840 -0.077 0.000 0.877 354 L CB -0.383 41.752 42.059 0.127 0.000 1.009 354 L HN 0.111 nan 8.230 nan 0.000 0.447 355 D N 1.939 121.974 120.400 -0.609 0.000 2.316 355 D HA 0.103 4.773 4.640 0.051 0.000 0.245 355 D C -1.563 174.490 176.300 -0.412 0.000 1.171 355 D CA -2.253 51.141 54.000 -1.011 0.000 0.856 355 D CB 1.574 41.595 40.800 -1.298 0.000 1.090 355 D HN -0.069 nan 8.370 nan 0.000 0.476 356 P HA -0.032 nan 4.420 nan 0.000 0.245 356 P C 0.853 178.050 177.300 -0.171 0.000 1.212 356 P CA 0.592 63.605 63.100 -0.144 0.000 0.774 356 P CB 0.020 31.714 31.700 -0.010 0.000 0.999 357 T N -4.458 109.989 114.554 -0.178 0.000 3.107 357 T HA 0.150 4.530 4.350 0.051 0.000 0.249 357 T C 0.740 175.355 174.700 -0.140 0.000 1.096 357 T CA -0.041 61.975 62.100 -0.140 0.000 1.012 357 T CB -0.171 68.662 68.868 -0.059 0.000 0.977 357 T HN -0.140 nan 8.240 nan 0.000 0.527 358 K N 2.167 122.381 120.400 -0.310 0.000 2.244 358 K HA 0.577 4.928 4.320 0.051 0.000 0.260 358 K C -0.446 175.953 176.600 -0.335 0.000 0.951 358 K CA -0.841 55.123 56.287 -0.539 0.000 0.826 358 K CB 2.187 34.262 32.500 -0.709 0.000 1.108 358 K HN 0.320 nan 8.250 nan 0.000 0.433 359 L N -0.238 120.906 121.223 -0.131 0.000 2.352 359 L HA 0.661 5.031 4.340 0.051 0.000 0.269 359 L C -0.135 176.554 176.870 -0.302 0.000 1.034 359 L CA -0.487 54.255 54.840 -0.163 0.000 0.806 359 L CB 0.519 42.559 42.059 -0.032 0.000 1.244 359 L HN 0.461 nan 8.230 nan 0.000 0.447 360 I N 1.827 122.315 120.570 -0.136 0.000 2.307 360 I HA 0.358 4.559 4.170 0.051 0.000 0.287 360 I C -2.100 174.049 176.117 0.053 0.000 1.054 360 I CA -1.723 59.564 61.300 -0.022 0.000 1.218 360 I CB 0.932 38.935 38.000 0.005 0.000 1.398 360 I HN 0.449 nan 8.210 nan 0.000 0.475 361 P HA -0.036 nan 4.420 nan 0.000 0.261 361 P C 0.393 177.767 177.300 0.123 0.000 1.173 361 P CA 0.300 63.454 63.100 0.091 0.000 0.760 361 P CB 0.575 32.324 31.700 0.080 0.000 0.783 362 E N 1.818 122.093 120.200 0.126 0.000 2.268 362 E HA -0.180 4.200 4.350 0.051 0.000 0.195 362 E C 1.379 178.035 176.600 0.094 0.000 0.995 362 E CA 0.702 57.165 56.400 0.106 0.000 0.836 362 E CB 0.027 29.792 29.700 0.108 0.000 0.763 362 E HN 0.508 nan 8.360 nan 0.000 0.491 363 E N 0.292 120.549 120.200 0.095 0.000 2.204 363 E HA -0.118 4.262 4.350 0.051 0.000 0.194 363 E C 2.041 178.705 176.600 0.107 0.000 0.989 363 E CA 0.696 57.147 56.400 0.085 0.000 0.824 363 E CB 0.123 29.867 29.700 0.072 0.000 0.756 363 E HN 0.361 nan 8.360 nan 0.000 0.477 364 L N -0.352 120.960 121.223 0.148 0.000 2.168 364 L HA 0.051 4.422 4.340 0.051 0.000 0.203 364 L C 0.698 177.687 176.870 0.198 0.000 1.078 364 L CA 0.434 55.396 54.840 0.203 0.000 0.780 364 L CB 0.351 42.613 42.059 0.338 0.000 0.939 364 L HN -0.210 nan 8.230 nan 0.000 0.451 365 V N 1.461 121.475 119.914 0.167 0.000 2.398 365 V HA 0.319 4.469 4.120 0.051 0.000 0.282 365 V C -2.373 173.768 176.094 0.078 0.000 1.014 365 V CA -1.519 60.860 62.300 0.132 0.000 0.838 365 V CB 1.338 33.234 31.823 0.122 0.000 1.018 365 V HN -0.040 nan 8.190 nan 0.000 0.432 366 P HA 0.157 nan 4.420 nan 0.000 0.272 366 P C -0.274 177.026 177.300 -0.001 0.000 1.223 366 P CA 0.004 63.124 63.100 0.034 0.000 0.784 366 P CB 1.183 32.907 31.700 0.041 0.000 0.923 367 V N 3.603 123.488 119.914 -0.049 0.000 2.408 367 V HA 0.084 4.234 4.120 0.051 0.000 0.267 367 V C 0.879 176.962 176.094 -0.018 0.000 1.047 367 V CA 0.027 62.261 62.300 -0.110 0.000 0.937 367 V CB 0.176 31.853 31.823 -0.244 0.000 0.999 367 V HN 0.552 nan 8.190 nan 0.000 0.472 368 Q N 6.510 126.321 119.800 0.019 0.000 2.279 368 Q HA 0.306 4.676 4.340 0.051 0.000 0.256 368 Q C 0.425 176.428 176.000 0.005 0.000 0.937 368 Q CA -0.748 55.074 55.803 0.031 0.000 0.933 368 Q CB 0.700 29.472 28.738 0.057 0.000 1.189 368 Q HN 0.807 nan 8.270 nan 0.000 0.417 369 R N 2.379 122.908 120.500 0.047 0.000 2.491 369 R HA 0.104 4.475 4.340 0.051 0.000 0.283 369 R C -0.534 175.794 176.300 0.045 0.000 1.072 369 R CA -0.280 55.883 56.100 0.104 0.000 1.048 369 R CB 0.715 31.163 30.300 0.246 0.000 0.983 369 R HN 0.509 nan 8.270 nan 0.000 0.450 370 V N 1.652 121.489 119.914 -0.127 0.000 3.219 370 V HA 0.322 4.472 4.120 0.051 0.000 0.240 370 V C 0.900 176.751 176.094 -0.405 0.000 1.222 370 V CA 1.108 63.226 62.300 -0.303 0.000 1.181 370 V CB 0.646 32.027 31.823 -0.737 0.000 0.941 370 V HN 1.076 nan 8.190 nan 0.000 0.471 371 G N -0.309 108.105 108.800 -0.642 0.000 2.342 371 G HA2 0.452 4.443 3.960 0.051 0.000 0.297 371 G HA3 0.452 4.443 3.960 0.051 0.000 0.297 371 G C -1.835 172.682 174.900 -0.638 0.000 1.313 371 G CA -0.558 43.839 45.100 -1.172 0.000 0.830 371 G HN 0.058 nan 8.290 nan 0.000 0.506 372 K N -0.488 119.586 120.400 -0.543 0.000 2.316 372 K HA 0.759 5.109 4.320 0.051 0.000 0.251 372 K C -0.874 175.765 176.600 0.066 0.000 0.934 372 K CA -0.817 55.450 56.287 -0.034 0.000 0.802 372 K CB 2.014 34.559 32.500 0.074 0.000 1.171 372 K HN 0.596 nan 8.250 nan 0.000 0.426 373 M N 4.521 124.274 119.600 0.255 0.000 2.321 373 M HA 0.400 4.910 4.480 0.051 0.000 0.315 373 M C -1.842 174.440 176.300 -0.031 0.000 1.052 373 M CA -0.772 54.625 55.300 0.162 0.000 0.936 373 M CB 1.759 34.510 32.600 0.251 0.000 1.639 373 M HN 0.350 nan 8.290 nan 0.000 0.433 374 V N 5.638 125.377 119.914 -0.291 0.000 2.531 374 V HA 0.434 4.584 4.120 0.051 0.000 0.301 374 V C -0.951 175.018 176.094 -0.209 0.000 1.034 374 V CA -0.804 61.335 62.300 -0.268 0.000 0.865 374 V CB 1.780 33.320 31.823 -0.472 0.000 0.995 374 V HN 0.683 nan 8.190 nan 0.000 0.424 375 L N 6.027 127.210 121.223 -0.066 0.000 2.268 375 L HA 0.452 4.823 4.340 0.051 0.000 0.289 375 L C 0.824 177.615 176.870 -0.131 0.000 1.064 375 L CA 0.220 55.029 54.840 -0.051 0.000 0.824 375 L CB 0.775 42.858 42.059 0.040 0.000 1.202 375 L HN 0.852 nan 8.230 nan 0.000 0.433 376 N N 2.304 120.841 118.700 -0.271 0.000 2.197 376 N HA 0.152 4.922 4.740 0.051 0.000 0.228 376 N C 0.038 175.375 175.510 -0.289 0.000 1.212 376 N CA -0.225 52.424 53.050 -0.669 0.000 0.883 376 N CB 0.708 38.525 38.487 -1.117 0.000 1.107 376 N HN 0.334 nan 8.380 nan 0.000 0.519 377 R N 0.302 120.735 120.500 -0.112 0.000 2.535 377 R HA 0.298 4.669 4.340 0.051 0.000 0.274 377 R C -1.223 175.032 176.300 -0.075 0.000 1.090 377 R CA -0.578 55.474 56.100 -0.080 0.000 0.930 377 R CB 1.433 31.694 30.300 -0.065 0.000 1.223 377 R HN 0.074 nan 8.270 nan 0.000 0.441 378 N N 3.084 121.610 118.700 -0.290 0.000 2.467 378 N HA 0.291 5.062 4.740 0.051 0.000 0.262 378 N C -2.221 173.216 175.510 -0.123 0.000 1.234 378 N CA -1.245 51.474 53.050 -0.550 0.000 0.952 378 N CB 0.563 38.026 38.487 -1.707 0.000 1.158 378 N HN 0.276 nan 8.380 nan 0.000 0.463 379 P HA 0.125 nan 4.420 nan 0.000 0.274 379 P C 0.086 177.578 177.300 0.321 0.000 1.260 379 P CA -0.118 63.189 63.100 0.345 0.000 0.793 379 P CB 1.082 33.034 31.700 0.420 0.000 1.048 380 D N -1.173 119.383 120.400 0.260 0.000 2.197 380 D HA -0.019 4.652 4.640 0.051 0.000 0.212 380 D C 0.474 176.950 176.300 0.294 0.000 0.963 380 D CA 1.363 55.509 54.000 0.244 0.000 0.864 380 D CB 0.145 41.028 40.800 0.139 0.000 1.009 380 D HN 0.384 nan 8.370 nan 0.000 0.479 381 N N -0.201 118.664 118.700 0.275 0.000 2.399 381 N HA 0.009 4.780 4.740 0.051 0.000 0.284 381 N C 0.099 175.815 175.510 0.344 0.000 1.025 381 N CA -0.344 52.880 53.050 0.290 0.000 0.885 381 N CB 1.604 40.230 38.487 0.232 0.000 1.339 381 N HN -0.165 nan 8.380 nan 0.000 0.487 382 F N 4.460 124.558 119.950 0.247 0.000 2.069 382 F HA -0.185 4.371 4.527 0.049 0.000 0.298 382 F C 1.742 177.672 175.800 0.216 0.000 1.113 382 F CA 1.592 59.739 58.000 0.244 0.000 1.214 382 F CB -0.194 38.917 39.000 0.186 0.000 0.978 382 F HN 0.621 nan 8.300 nan 0.000 0.474 383 F N 0.878 121.063 119.950 0.392 0.000 2.069 383 F HA -0.202 4.363 4.527 0.064 0.000 0.298 383 F C 2.353 178.208 175.800 0.092 0.000 1.113 383 F CA 1.993 60.138 58.000 0.242 0.000 1.214 383 F CB -1.048 38.074 39.000 0.203 0.000 0.978 383 F HN 0.024 nan 8.300 nan 0.000 0.474 384 A N -0.217 122.734 122.820 0.219 0.000 1.883 384 A HA -0.226 4.125 4.320 0.051 0.000 0.217 384 A C 2.108 179.623 177.584 -0.115 0.000 1.186 384 A CA 2.200 54.273 52.037 0.060 0.000 0.624 384 A CB -0.845 18.244 19.000 0.148 0.000 0.822 384 A HN 0.620 nan 8.150 nan 0.000 0.444 385 E N -1.468 118.683 120.200 -0.082 0.000 2.127 385 E HA -0.066 4.314 4.350 0.051 0.000 0.191 385 E C 1.996 178.500 176.600 -0.160 0.000 0.964 385 E CA 0.492 56.781 56.400 -0.185 0.000 0.832 385 E CB -0.094 29.561 29.700 -0.075 0.000 0.790 385 E HN 0.599 nan 8.360 nan 0.000 0.465 386 N N 1.275 119.889 118.700 -0.143 0.000 2.244 386 N HA -0.154 4.617 4.740 0.051 0.000 0.189 386 N C 1.843 177.193 175.510 -0.267 0.000 1.047 386 N CA 1.276 54.196 53.050 -0.216 0.000 0.870 386 N CB -0.032 37.946 38.487 -0.850 0.000 1.041 386 N HN -0.092 nan 8.380 nan 0.000 0.448 387 E N 0.963 120.923 120.200 -0.400 0.000 2.097 387 E HA -0.169 4.212 4.350 0.051 0.000 0.196 387 E C 1.838 178.261 176.600 -0.296 0.000 1.000 387 E CA 1.678 57.922 56.400 -0.259 0.000 0.804 387 E CB -0.236 29.330 29.700 -0.223 0.000 0.740 387 E HN 0.500 nan 8.360 nan 0.000 0.454 388 Q N -0.391 119.155 119.800 -0.423 0.000 2.435 388 Q HA 0.160 4.530 4.340 0.051 0.000 0.207 388 Q C 0.134 176.019 176.000 -0.192 0.000 0.956 388 Q CA 0.367 55.977 55.803 -0.323 0.000 0.917 388 Q CB 0.170 28.691 28.738 -0.361 0.000 0.997 388 Q HN 0.250 nan 8.270 nan 0.000 0.497 389 A N 1.203 123.930 122.820 -0.155 0.000 2.520 389 A HA 0.410 4.761 4.320 0.051 0.000 0.245 389 A C -0.132 177.358 177.584 -0.157 0.000 1.072 389 A CA 0.176 52.105 52.037 -0.180 0.000 0.761 389 A CB 0.195 19.140 19.000 -0.093 0.000 1.004 389 A HN 0.266 nan 8.150 nan 0.000 0.499 390 A N 2.980 125.662 122.820 -0.231 0.000 2.267 390 A HA 0.688 5.039 4.320 0.051 0.000 0.315 390 A C -0.735 176.761 177.584 -0.147 0.000 1.297 390 A CA -0.391 51.576 52.037 -0.117 0.000 0.865 390 A CB 0.024 18.986 19.000 -0.063 0.000 1.165 390 A HN 0.640 nan 8.150 nan 0.000 0.513 391 F N 1.186 121.146 119.950 0.016 0.000 2.450 391 F HA 0.615 5.172 4.527 0.050 0.000 0.332 391 F C 0.306 176.065 175.800 -0.069 0.000 1.093 391 F CA -0.109 57.871 58.000 -0.034 0.000 1.003 391 F CB 1.965 40.901 39.000 -0.107 0.000 1.151 391 F HN 0.736 nan 8.300 nan 0.000 0.474 392 H N 3.724 122.619 119.070 -0.292 0.000 3.042 392 H HA 0.287 4.874 4.556 0.051 0.000 0.345 392 H C -2.441 172.507 175.328 -0.632 0.000 1.052 392 H CA -1.850 53.785 56.048 -0.687 0.000 1.311 392 H CB 2.647 31.911 29.762 -0.830 0.000 1.810 392 H HN 0.176 nan 8.280 nan 0.000 0.505 393 P HA -0.037 nan 4.420 nan 0.000 0.222 393 P C 1.278 178.415 177.300 -0.270 0.000 1.147 393 P CA 1.453 64.243 63.100 -0.516 0.000 0.790 393 P CB 0.110 31.564 31.700 -0.410 0.000 0.780 394 G N -0.813 107.552 108.800 -0.724 0.000 2.471 394 G HA2 -0.179 3.812 3.960 0.051 0.000 0.219 394 G HA3 -0.179 3.812 3.960 0.051 0.000 0.219 394 G C 0.516 175.596 174.900 0.299 0.000 1.125 394 G CA 0.073 45.115 45.100 -0.097 0.000 0.775 394 G HN 0.429 nan 8.290 nan 0.000 0.548 395 H N 0.833 119.990 119.070 0.146 0.000 3.330 395 H HA 0.322 4.908 4.556 0.050 0.000 0.260 395 H C 0.444 175.865 175.328 0.156 0.000 1.439 395 H CA -0.690 55.435 56.048 0.129 0.000 1.540 395 H CB -0.244 29.568 29.762 0.084 0.000 1.698 395 H HN 0.385 nan 8.280 nan 0.000 0.516 396 I N -0.211 120.464 120.570 0.176 0.000 3.023 396 I HA 0.671 4.871 4.170 0.051 0.000 0.312 396 I C -0.122 175.950 176.117 -0.075 0.000 1.056 396 I CA -1.426 59.883 61.300 0.015 0.000 1.033 396 I CB 1.971 39.862 38.000 -0.183 0.000 1.233 396 I HN 0.135 nan 8.210 nan 0.000 0.462 397 V N -1.141 118.709 119.914 -0.106 0.000 3.113 397 V HA 0.702 4.852 4.120 0.051 0.000 0.316 397 V C -2.779 173.388 176.094 0.121 0.000 1.125 397 V CA -2.635 59.670 62.300 0.009 0.000 1.026 397 V CB 0.963 32.793 31.823 0.011 0.000 1.080 397 V HN 0.648 nan 8.190 nan 0.000 0.444 398 P HA 0.354 nan 4.420 nan 0.000 0.262 398 P C 0.855 178.162 177.300 0.012 0.000 1.182 398 P CA 1.868 65.053 63.100 0.143 0.000 0.761 398 P CB 0.574 32.334 31.700 0.100 0.000 0.795 399 G N 1.742 110.507 108.800 -0.058 0.000 2.231 399 G HA2 -0.143 3.847 3.960 0.051 0.000 0.206 399 G HA3 -0.143 3.847 3.960 0.051 0.000 0.206 399 G C -0.294 174.516 174.900 -0.149 0.000 0.996 399 G CA -0.411 44.624 45.100 -0.108 0.000 0.645 399 G HN 0.452 nan 8.290 nan 0.000 0.498 400 L N -0.120 121.022 121.223 -0.134 0.000 2.309 400 L HA 0.953 5.324 4.340 0.051 0.000 0.261 400 L C -0.626 176.178 176.870 -0.111 0.000 1.021 400 L CA -1.101 53.635 54.840 -0.175 0.000 0.823 400 L CB 2.211 44.084 42.059 -0.310 0.000 1.366 400 L HN 0.076 nan 8.230 nan 0.000 0.423 401 D N -0.760 119.559 120.400 -0.135 0.000 2.671 401 D HA 0.446 5.117 4.640 0.051 0.000 0.273 401 D C -1.335 174.905 176.300 -0.100 0.000 1.264 401 D CA -0.356 53.533 54.000 -0.184 0.000 0.788 401 D CB 1.857 42.621 40.800 -0.061 0.000 1.324 401 D HN 0.148 nan 8.370 nan 0.000 0.424 402 F N -0.174 119.920 119.950 0.241 0.000 2.321 402 F HA 0.572 5.129 4.527 0.051 0.000 0.318 402 F C 1.520 177.354 175.800 0.057 0.000 1.129 402 F CA -0.320 57.754 58.000 0.122 0.000 1.074 402 F CB 0.955 39.984 39.000 0.049 0.000 1.432 402 F HN 0.216 nan 8.300 nan 0.000 0.502 403 T N -3.297 111.364 114.554 0.177 0.000 2.831 403 T HA 0.316 4.696 4.350 0.051 0.000 0.287 403 T C -0.008 174.732 174.700 0.067 0.000 1.070 403 T CA -0.958 61.223 62.100 0.135 0.000 1.010 403 T CB 1.215 70.144 68.868 0.103 0.000 1.264 403 T HN 0.359 nan 8.240 nan 0.000 0.532 404 N N 1.049 119.794 118.700 0.074 0.000 2.461 404 N HA 0.049 4.819 4.740 0.051 0.000 0.188 404 N C 0.120 175.646 175.510 0.026 0.000 1.134 404 N CA 0.121 53.198 53.050 0.044 0.000 0.878 404 N CB -0.470 38.058 38.487 0.068 0.000 0.972 404 N HN 0.717 nan 8.380 nan 0.000 0.456 405 D N 2.328 122.734 120.400 0.010 0.000 2.772 405 D HA -0.097 4.573 4.640 0.051 0.000 0.227 405 D C -1.379 174.929 176.300 0.012 0.000 1.114 405 D CA -0.817 53.216 54.000 0.055 0.000 0.832 405 D CB 1.233 42.023 40.800 -0.016 0.000 1.154 405 D HN 0.143 nan 8.370 nan 0.000 0.514 406 P HA -0.100 nan 4.420 nan 0.000 0.229 406 P C 1.542 178.861 177.300 0.032 0.000 1.160 406 P CA 0.190 63.312 63.100 0.036 0.000 0.777 406 P CB 0.346 32.060 31.700 0.025 0.000 0.814 407 L N -0.306 120.958 121.223 0.068 0.000 2.102 407 L HA 0.014 4.385 4.340 0.051 0.000 0.202 407 L C 2.362 179.158 176.870 -0.124 0.000 1.076 407 L CA 1.275 56.147 54.840 0.054 0.000 0.761 407 L CB -1.547 40.622 42.059 0.184 0.000 0.921 407 L HN -0.172 nan 8.230 nan 0.000 0.444 408 L N -0.564 120.432 121.223 -0.379 0.000 2.017 408 L HA -0.207 4.164 4.340 0.051 0.000 0.208 408 L C 2.454 179.069 176.870 -0.425 0.000 1.073 408 L CA 1.739 56.127 54.840 -0.754 0.000 0.745 408 L CB -0.935 40.399 42.059 -1.208 0.000 0.894 408 L HN 0.352 nan 8.230 nan 0.000 0.432 409 Q N 0.103 119.730 119.800 -0.288 0.000 2.062 409 Q HA -0.220 4.151 4.340 0.051 0.000 0.209 409 Q C 2.120 178.041 176.000 -0.133 0.000 0.996 409 Q CA 2.117 57.799 55.803 -0.203 0.000 0.859 409 Q CB -1.090 27.582 28.738 -0.110 0.000 0.920 409 Q HN 0.712 nan 8.270 nan 0.000 0.415 410 G N 0.351 109.106 108.800 -0.076 0.000 2.421 410 G HA2 -0.217 3.774 3.960 0.051 0.000 0.217 410 G HA3 -0.217 3.774 3.960 0.051 0.000 0.217 410 G C 1.525 176.440 174.900 0.025 0.000 1.143 410 G CA 0.314 45.413 45.100 -0.001 0.000 0.784 410 G HN 0.251 nan 8.290 nan 0.000 0.541 411 R N -0.110 120.355 120.500 -0.059 0.000 2.105 411 R HA -0.006 4.365 4.340 0.051 0.000 0.239 411 R C 2.528 178.902 176.300 0.123 0.000 1.135 411 R CA 0.994 57.114 56.100 0.033 0.000 0.967 411 R CB -0.502 29.768 30.300 -0.050 0.000 0.861 411 R HN 0.353 nan 8.270 nan 0.000 0.442 412 L N -0.369 120.819 121.223 -0.059 0.000 2.129 412 L HA -0.220 4.151 4.340 0.051 0.000 0.212 412 L C 2.309 179.328 176.870 0.248 0.000 1.087 412 L CA 1.216 56.046 54.840 -0.017 0.000 0.757 412 L CB -0.502 41.401 42.059 -0.259 0.000 0.896 412 L HN 0.166 nan 8.230 nan 0.000 0.434 413 F N 0.152 120.143 119.950 0.069 0.000 2.128 413 F HA -0.187 4.371 4.527 0.052 0.000 0.295 413 F C 2.811 178.653 175.800 0.069 0.000 1.100 413 F CA 1.590 59.625 58.000 0.058 0.000 1.260 413 F CB -0.317 38.695 39.000 0.020 0.000 1.009 413 F HN -0.049 nan 8.300 nan 0.000 0.476 414 S N -0.488 115.238 115.700 0.044 0.000 2.356 414 S HA -0.256 4.245 4.470 0.051 0.000 0.223 414 S C 2.059 176.535 174.600 -0.207 0.000 1.032 414 S CA 1.744 59.856 58.200 -0.147 0.000 1.005 414 S CB -0.897 62.244 63.200 -0.098 0.000 0.867 414 S HN 0.564 nan 8.310 nan 0.000 0.449 415 Y N 1.355 121.621 120.300 -0.056 0.000 2.421 415 Y HA -0.032 4.549 4.550 0.051 0.000 0.292 415 Y C 2.855 178.401 175.900 -0.591 0.000 1.136 415 Y CA 1.138 59.160 58.100 -0.130 0.000 1.255 415 Y CB -0.635 38.206 38.460 0.636 0.000 0.991 415 Y HN 0.274 nan 8.280 nan 0.000 0.552 416 T N -0.703 113.479 114.554 -0.620 0.000 2.770 416 T HA -0.161 4.220 4.350 0.051 0.000 0.258 416 T C 1.433 175.919 174.700 -0.356 0.000 1.039 416 T CA 1.459 63.290 62.100 -0.449 0.000 1.143 416 T CB -0.398 68.279 68.868 -0.318 0.000 0.866 416 T HN 0.321 nan 8.240 nan 0.000 0.428 417 D N 0.814 120.950 120.400 -0.440 0.000 2.106 417 D HA -0.146 4.525 4.640 0.051 0.000 0.191 417 D C 2.267 178.402 176.300 -0.276 0.000 0.997 417 D CA 1.796 55.553 54.000 -0.404 0.000 0.834 417 D CB -0.544 39.839 40.800 -0.697 0.000 0.956 417 D HN 0.248 nan 8.370 nan 0.000 0.448 418 T N -1.186 113.200 114.554 -0.279 0.000 2.803 418 T HA -0.192 4.188 4.350 0.051 0.000 0.269 418 T C 1.722 176.290 174.700 -0.220 0.000 1.052 418 T CA 1.640 63.615 62.100 -0.209 0.000 1.136 418 T CB -0.230 68.514 68.868 -0.206 0.000 0.864 418 T HN 0.178 nan 8.240 nan 0.000 0.467 419 Q N 0.083 119.679 119.800 -0.341 0.000 2.436 419 Q HA 0.139 4.509 4.340 0.051 0.000 0.209 419 Q C 2.087 177.951 176.000 -0.226 0.000 0.965 419 Q CA 0.498 56.059 55.803 -0.402 0.000 0.910 419 Q CB -0.086 28.128 28.738 -0.873 0.000 0.980 419 Q HN 0.476 nan 8.270 nan 0.000 0.491 420 I N 0.163 120.650 120.570 -0.138 0.000 2.264 420 I HA -0.265 3.936 4.170 0.051 0.000 0.248 420 I C 2.185 178.291 176.117 -0.018 0.000 1.111 420 I CA 1.859 63.145 61.300 -0.025 0.000 1.382 420 I CB -1.339 36.654 38.000 -0.013 0.000 1.060 420 I HN 0.286 nan 8.210 nan 0.000 0.418 421 S N 0.371 116.047 115.700 -0.039 0.000 2.412 421 S HA -0.074 4.426 4.470 0.051 0.000 0.223 421 S C 2.192 176.778 174.600 -0.022 0.000 1.048 421 S CA 0.179 58.368 58.200 -0.018 0.000 0.954 421 S CB -0.329 62.863 63.200 -0.013 0.000 0.840 421 S HN 0.294 nan 8.310 nan 0.000 0.503 422 R N 0.886 121.355 120.500 -0.052 0.000 2.073 422 R HA 0.143 4.514 4.340 0.051 0.000 0.234 422 R C 1.349 177.624 176.300 -0.040 0.000 1.134 422 R CA 1.532 57.604 56.100 -0.048 0.000 0.952 422 R CB -0.297 29.955 30.300 -0.081 0.000 0.850 422 R HN 0.459 nan 8.270 nan 0.000 0.433 423 L N -0.349 120.836 121.223 -0.063 0.000 2.818 423 L HA 0.311 4.681 4.340 0.051 0.000 0.243 423 L C 0.793 177.677 176.870 0.023 0.000 1.185 423 L CA 0.249 55.075 54.840 -0.025 0.000 0.988 423 L CB 0.984 43.024 42.059 -0.031 0.000 1.292 423 L HN 0.587 nan 8.230 nan 0.000 0.519 424 G N 0.077 108.889 108.800 0.021 0.000 2.168 424 G HA2 -0.153 3.837 3.960 0.051 0.000 0.263 424 G HA3 -0.153 3.837 3.960 0.051 0.000 0.263 424 G C 0.487 175.425 174.900 0.064 0.000 0.977 424 G CA 0.184 45.307 45.100 0.039 0.000 0.659 424 G HN 0.795 nan 8.290 nan 0.000 0.533 425 G N -1.812 107.046 108.800 0.096 0.000 2.356 425 G HA2 0.580 4.570 3.960 0.051 0.000 0.288 425 G HA3 0.580 4.570 3.960 0.051 0.000 0.288 425 G C -2.206 172.833 174.900 0.231 0.000 1.302 425 G CA 0.348 45.523 45.100 0.123 0.000 0.887 425 G HN 0.456 nan 8.290 nan 0.000 0.521 426 P HA 0.138 nan 4.420 nan 0.000 0.255 426 P C 0.305 177.651 177.300 0.076 0.000 1.248 426 P CA 0.358 63.574 63.100 0.193 0.000 0.807 426 P CB 0.248 32.014 31.700 0.111 0.000 1.150 427 N N 0.276 119.010 118.700 0.057 0.000 2.295 427 N HA 0.062 4.833 4.740 0.051 0.000 0.221 427 N C 1.102 176.457 175.510 -0.259 0.000 1.129 427 N CA -0.159 52.821 53.050 -0.116 0.000 0.836 427 N CB -0.557 37.887 38.487 -0.071 0.000 1.040 427 N HN 0.249 nan 8.380 nan 0.000 0.494 428 F N 1.042 120.973 119.950 -0.030 0.000 2.333 428 F HA -0.101 4.456 4.527 0.050 0.000 0.300 428 F C 2.196 177.936 175.800 -0.101 0.000 1.083 428 F CA 0.850 58.806 58.000 -0.074 0.000 1.395 428 F CB -0.840 38.136 39.000 -0.040 0.000 1.056 428 F HN 0.158 nan 8.300 nan 0.000 0.529 429 H N 0.339 118.966 119.070 -0.738 0.000 2.561 429 H HA 0.046 4.633 4.556 0.052 0.000 0.278 429 H C 0.909 176.072 175.328 -0.274 0.000 1.014 429 H CA 1.356 57.111 56.048 -0.487 0.000 1.211 429 H CB -0.763 28.583 29.762 -0.692 0.000 1.365 429 H HN 0.543 nan 8.280 nan 0.000 0.594 430 E N 0.851 120.629 120.200 -0.703 0.000 2.447 430 E HA 0.178 4.559 4.350 0.051 0.000 0.195 430 E C 0.408 176.887 176.600 -0.203 0.000 1.028 430 E CA -0.291 55.856 56.400 -0.421 0.000 0.876 430 E CB 0.520 29.981 29.700 -0.400 0.000 0.885 430 E HN 0.420 nan 8.360 nan 0.000 0.500 431 I N 2.909 123.376 120.570 -0.171 0.000 2.668 431 I HA -0.077 4.124 4.170 0.051 0.000 0.285 431 I C -1.545 174.507 176.117 -0.107 0.000 1.168 431 I CA -1.338 59.894 61.300 -0.114 0.000 1.424 431 I CB 0.322 38.270 38.000 -0.088 0.000 1.377 431 I HN -0.163 nan 8.210 nan 0.000 0.560 432 P HA -0.288 nan 4.420 nan 0.000 0.214 432 P C 1.771 178.998 177.300 -0.122 0.000 1.164 432 P CA 1.465 64.507 63.100 -0.097 0.000 0.942 432 P CB 0.120 31.771 31.700 -0.081 0.000 0.791 433 I N -0.821 119.648 120.570 -0.169 0.000 2.300 433 I HA -0.251 3.950 4.170 0.051 0.000 0.252 433 I C 1.378 177.415 176.117 -0.134 0.000 1.119 433 I CA 1.820 62.974 61.300 -0.244 0.000 1.384 433 I CB -0.673 37.076 38.000 -0.420 0.000 1.062 433 I HN -0.064 nan 8.210 nan 0.000 0.426 434 N N 0.636 119.278 118.700 -0.097 0.000 2.463 434 N HA 0.021 4.791 4.740 0.051 0.000 0.181 434 N C 0.236 175.751 175.510 0.009 0.000 1.078 434 N CA 0.224 53.247 53.050 -0.045 0.000 0.902 434 N CB -0.155 38.324 38.487 -0.013 0.000 0.970 434 N HN 0.391 nan 8.380 nan 0.000 0.451 435 R N 1.900 122.401 120.500 0.001 0.000 2.484 435 R HA 0.121 4.491 4.340 0.051 0.000 0.293 435 R C -2.185 174.178 176.300 0.104 0.000 1.023 435 R CA -1.178 54.931 56.100 0.014 0.000 1.037 435 R CB -0.093 30.197 30.300 -0.017 0.000 0.951 435 R HN 0.048 nan 8.270 nan 0.000 0.418 436 P HA -0.043 nan 4.420 nan 0.000 0.268 436 P C 0.630 178.001 177.300 0.118 0.000 1.208 436 P CA 0.145 63.328 63.100 0.138 0.000 0.777 436 P CB 0.598 32.342 31.700 0.074 0.000 0.875 437 T N -2.750 111.885 114.554 0.136 0.000 3.037 437 T HA 0.070 4.450 4.350 0.051 0.000 0.251 437 T C 0.917 175.657 174.700 0.067 0.000 1.079 437 T CA 0.044 62.178 62.100 0.058 0.000 1.067 437 T CB -0.960 67.928 68.868 0.034 0.000 0.948 437 T HN 0.593 nan 8.240 nan 0.000 0.496 438 C N 1.387 120.743 119.300 0.093 0.000 2.345 438 C HA 0.789 5.280 4.460 0.051 0.000 0.369 438 C C -2.495 172.550 174.990 0.092 0.000 1.273 438 C CA -2.492 56.579 59.018 0.088 0.000 2.310 438 C CB 0.155 27.953 27.740 0.098 0.000 2.219 438 C HN 0.174 nan 8.230 nan 0.000 0.587 439 P HA 0.312 nan 4.420 nan 0.000 0.271 439 P C -1.250 176.123 177.300 0.123 0.000 1.216 439 P CA 0.426 63.591 63.100 0.109 0.000 0.776 439 P CB -0.026 31.785 31.700 0.184 0.000 0.881 440 Y N 1.005 121.217 120.300 -0.146 0.000 2.354 440 Y HA 0.649 5.229 4.550 0.050 0.000 0.330 440 Y C -1.476 174.178 175.900 -0.411 0.000 1.011 440 Y CA -0.925 57.078 58.100 -0.160 0.000 1.099 440 Y CB 1.361 39.738 38.460 -0.139 0.000 1.179 440 Y HN 0.419 nan 8.280 nan 0.000 0.442 441 H N 3.990 122.954 119.070 -0.177 0.000 2.856 441 H HA 0.535 5.122 4.556 0.052 0.000 0.355 441 H C -1.081 174.134 175.328 -0.187 0.000 1.079 441 H CA -0.731 55.137 56.048 -0.300 0.000 1.240 441 H CB 1.679 31.297 29.762 -0.240 0.000 1.701 441 H HN 0.895 nan 8.280 nan 0.000 0.527 442 N N 0.461 119.062 118.700 -0.165 0.000 3.449 442 N HA 0.196 4.966 4.740 0.051 0.000 0.312 442 N C -1.198 174.069 175.510 -0.405 0.000 1.582 442 N CA -0.902 52.007 53.050 -0.235 0.000 0.850 442 N CB 0.681 39.183 38.487 0.025 0.000 1.822 442 N HN 0.318 nan 8.380 nan 0.000 0.577 443 F N -0.321 119.676 119.950 0.079 0.000 2.639 443 F HA 0.372 4.929 4.527 0.051 0.000 0.302 443 F C 0.248 176.094 175.800 0.077 0.000 1.097 443 F CA -0.404 57.637 58.000 0.067 0.000 1.294 443 F CB 0.324 39.357 39.000 0.056 0.000 1.027 443 F HN 0.127 nan 8.300 nan 0.000 0.550 444 Q N 1.549 121.458 119.800 0.181 0.000 2.288 444 Q HA 0.478 4.848 4.340 0.051 0.000 0.254 444 Q C 0.014 176.092 176.000 0.129 0.000 0.932 444 Q CA -0.270 55.618 55.803 0.143 0.000 0.902 444 Q CB 1.274 30.071 28.738 0.099 0.000 1.203 444 Q HN 0.091 nan 8.270 nan 0.000 0.415 445 R N 1.497 122.067 120.500 0.116 0.000 2.855 445 R HA 0.396 4.767 4.340 0.051 0.000 0.266 445 R C -0.615 175.735 176.300 0.083 0.000 1.034 445 R CA -0.677 55.482 56.100 0.099 0.000 0.944 445 R CB 1.036 31.396 30.300 0.100 0.000 1.219 445 R HN 0.708 nan 8.270 nan 0.000 0.474 446 D N -0.365 120.077 120.400 0.069 0.000 3.439 446 D HA -0.145 4.525 4.640 0.051 0.000 0.238 446 D C 0.291 176.627 176.300 0.060 0.000 1.727 446 D CA 2.041 56.075 54.000 0.056 0.000 1.145 446 D CB -1.015 39.816 40.800 0.053 0.000 0.764 446 D HN 0.897 nan 8.370 nan 0.000 0.938 447 G N -1.452 107.381 108.800 0.055 0.000 2.692 447 G HA2 0.256 4.246 3.960 0.051 0.000 0.686 447 G HA3 0.256 4.246 3.960 0.051 0.000 0.686 447 G C -0.331 174.606 174.900 0.061 0.000 1.243 447 G CA 0.012 45.149 45.100 0.062 0.000 0.782 447 G HN 0.807 nan 8.290 nan 0.000 0.625 448 M N 1.251 120.893 119.600 0.069 0.000 2.249 448 M HA 0.491 5.001 4.480 0.051 0.000 0.340 448 M C 1.079 177.460 176.300 0.133 0.000 1.166 448 M CA 1.173 56.522 55.300 0.082 0.000 1.115 448 M CB -0.517 32.132 32.600 0.081 0.000 1.606 448 M HN 1.568 nan 8.290 nan 0.000 0.448 449 H N 0.938 120.013 119.070 0.008 0.000 2.604 449 H HA -0.190 4.394 4.556 0.048 0.000 0.321 449 H C -0.720 174.600 175.328 -0.013 0.000 1.132 449 H CA 0.676 56.724 56.048 0.000 0.000 1.129 449 H CB -0.630 29.134 29.762 0.003 0.000 1.526 449 H HN 0.637 nan 8.280 nan 0.000 0.415 450 R N 1.563 122.092 120.500 0.047 0.000 2.351 450 R HA 0.046 4.416 4.340 0.051 0.000 0.318 450 R C 0.927 177.233 176.300 0.010 0.000 1.055 450 R CA 0.034 56.153 56.100 0.031 0.000 0.968 450 R CB 0.261 30.575 30.300 0.023 0.000 0.974 450 R HN 0.391 nan 8.270 nan 0.000 0.439 451 M N 2.610 122.226 119.600 0.027 0.000 2.276 451 M HA 0.202 4.712 4.480 0.051 0.000 0.262 451 M C 0.965 177.263 176.300 -0.004 0.000 1.098 451 M CA 1.115 56.425 55.300 0.018 0.000 1.167 451 M CB -0.907 31.707 32.600 0.024 0.000 1.337 451 M HN 0.702 nan 8.290 nan 0.000 0.446 452 G N 1.679 110.480 108.800 0.000 0.000 2.365 452 G HA2 0.391 4.381 3.960 0.051 0.000 0.249 452 G HA3 0.391 4.381 3.960 0.051 0.000 0.249 452 G C -0.398 174.494 174.900 -0.012 0.000 1.288 452 G CA -0.379 44.713 45.100 -0.012 0.000 0.887 452 G HN 0.328 nan 8.290 nan 0.000 0.524 453 I N 2.832 123.387 120.570 -0.024 0.000 2.307 453 I HA 0.108 4.309 4.170 0.051 0.000 0.287 453 I C -0.267 175.837 176.117 -0.021 0.000 1.054 453 I CA -0.535 60.755 61.300 -0.017 0.000 1.218 453 I CB 0.921 38.912 38.000 -0.016 0.000 1.398 453 I HN 0.362 nan 8.210 nan 0.000 0.475 454 D N 4.656 125.050 120.400 -0.011 0.000 2.351 454 D HA 0.077 4.748 4.640 0.051 0.000 0.251 454 D C 1.144 177.446 176.300 0.003 0.000 1.137 454 D CA 0.245 54.238 54.000 -0.012 0.000 0.879 454 D CB 1.845 42.646 40.800 0.002 0.000 1.181 454 D HN 0.559 nan 8.370 nan 0.000 0.448 455 T N -1.046 113.507 114.554 -0.002 0.000 3.054 455 T HA -0.045 4.335 4.350 0.051 0.000 0.255 455 T C 0.809 175.519 174.700 0.017 0.000 1.035 455 T CA -0.551 61.552 62.100 0.005 0.000 0.941 455 T CB 0.171 69.035 68.868 -0.006 0.000 1.026 455 T HN 0.117 nan 8.240 nan 0.000 0.533 456 N N 3.452 122.164 118.700 0.021 0.000 2.359 456 N HA 0.082 4.853 4.740 0.051 0.000 0.261 456 N C -1.617 173.934 175.510 0.068 0.000 1.267 456 N CA -1.444 51.633 53.050 0.045 0.000 0.864 456 N CB 1.440 39.961 38.487 0.055 0.000 1.063 456 N HN 0.068 nan 8.380 nan 0.000 0.474 457 P HA -0.053 nan 4.420 nan 0.000 0.217 457 P C -0.526 176.834 177.300 0.100 0.000 1.148 457 P CA 1.084 64.229 63.100 0.076 0.000 0.828 457 P CB 0.197 31.937 31.700 0.066 0.000 0.783 458 A N 0.420 123.288 122.820 0.081 0.000 2.312 458 A HA 0.410 4.761 4.320 0.051 0.000 0.326 458 A C 0.469 178.150 177.584 0.161 0.000 1.172 458 A CA -0.661 51.377 52.037 0.002 0.000 0.821 458 A CB 0.076 18.868 19.000 -0.348 0.000 1.166 458 A HN 0.272 nan 8.150 nan 0.000 0.493 459 N N 0.132 118.975 118.700 0.239 0.000 2.282 459 N HA 0.355 5.125 4.740 0.051 0.000 0.240 459 N C -0.767 174.928 175.510 0.308 0.000 1.182 459 N CA -0.346 52.918 53.050 0.356 0.000 0.874 459 N CB 0.268 38.916 38.487 0.268 0.000 1.126 459 N HN 0.699 nan 8.380 nan 0.000 0.516 460 Y N -0.998 119.207 120.300 -0.158 0.000 2.625 460 Y HA 0.680 5.260 4.550 0.050 0.000 0.338 460 Y C -1.560 173.734 175.900 -1.010 0.000 1.123 460 Y CA -1.398 56.414 58.100 -0.481 0.000 1.046 460 Y CB 1.039 39.373 38.460 -0.211 0.000 1.299 460 Y HN 0.065 nan 8.280 nan 0.000 0.464 461 E N 0.611 120.355 120.200 -0.759 0.000 2.343 461 E HA 0.639 5.020 4.350 0.051 0.000 0.278 461 E C -3.210 173.285 176.600 -0.174 0.000 0.910 461 E CA -1.984 54.045 56.400 -0.618 0.000 0.757 461 E CB 1.731 31.006 29.700 -0.707 0.000 1.218 461 E HN 0.556 nan 8.360 nan 0.000 0.435 462 P HA 0.319 nan 4.420 nan 0.000 0.274 462 P C -1.258 176.000 177.300 -0.071 0.000 1.231 462 P CA -0.473 62.559 63.100 -0.113 0.000 0.790 462 P CB 0.501 32.168 31.700 -0.056 0.000 0.951 463 N N -1.684 116.902 118.700 -0.189 0.000 2.242 463 N HA 0.353 5.123 4.740 0.051 0.000 0.292 463 N C 0.143 175.605 175.510 -0.079 0.000 1.125 463 N CA -0.740 52.206 53.050 -0.173 0.000 0.783 463 N CB 1.435 39.522 38.487 -0.666 0.000 1.558 463 N HN 0.186 nan 8.380 nan 0.000 0.472 464 S N 0.830 116.530 115.700 0.000 0.000 2.502 464 S HA 0.012 4.512 4.470 0.051 0.000 0.215 464 S C 1.520 176.134 174.600 0.023 0.000 1.009 464 S CA -0.010 58.192 58.200 0.004 0.000 0.908 464 S CB -0.775 62.438 63.200 0.021 0.000 0.801 464 S HN 0.709 nan 8.310 nan 0.000 0.505 465 I N -0.671 119.921 120.570 0.036 0.000 2.756 465 I HA 0.207 4.408 4.170 0.051 0.000 0.262 465 I C 1.287 177.437 176.117 0.055 0.000 1.225 465 I CA 1.292 62.623 61.300 0.053 0.000 1.472 465 I CB -0.364 37.686 38.000 0.084 0.000 1.094 465 I HN 0.200 nan 8.210 nan 0.000 0.454 466 N N 1.088 119.820 118.700 0.053 0.000 2.299 466 N HA 0.037 4.808 4.740 0.051 0.000 0.246 466 N C -0.100 175.529 175.510 0.200 0.000 1.254 466 N CA -0.059 53.066 53.050 0.124 0.000 0.879 466 N CB 0.009 38.581 38.487 0.142 0.000 1.214 466 N HN 0.213 nan 8.380 nan 0.000 0.510 467 D N 0.908 121.367 120.400 0.097 0.000 2.751 467 D HA -0.259 4.411 4.640 0.051 0.000 0.233 467 D C -0.084 176.105 176.300 -0.186 0.000 1.149 467 D CA 1.139 55.153 54.000 0.023 0.000 0.682 467 D CB -1.369 39.517 40.800 0.143 0.000 1.068 467 D HN 0.500 nan 8.370 nan 0.000 0.429 468 N N -1.608 117.013 118.700 -0.132 0.000 2.800 468 N HA -0.245 4.526 4.740 0.051 0.000 0.250 468 N C -0.877 174.567 175.510 -0.110 0.000 1.078 468 N CA 1.421 54.368 53.050 -0.172 0.000 0.804 468 N CB -1.335 37.004 38.487 -0.246 0.000 1.135 468 N HN 0.537 nan 8.380 nan 0.000 0.565 469 W N 0.921 122.277 121.300 0.093 0.000 2.381 469 W HA 0.468 5.158 4.660 0.051 0.000 0.329 469 W C -1.709 174.862 176.519 0.086 0.000 1.157 469 W CA -1.723 55.662 57.345 0.066 0.000 1.240 469 W CB 0.695 30.141 29.460 -0.023 0.000 1.199 469 W HN -0.033 nan 8.180 nan 0.000 0.579 470 P HA 0.188 nan 4.420 nan 0.000 0.275 470 P C -0.629 176.813 177.300 0.235 0.000 1.227 470 P CA -0.142 63.083 63.100 0.208 0.000 0.781 470 P CB 0.951 32.624 31.700 -0.045 0.000 0.906 471 R N 1.353 121.987 120.500 0.223 0.000 2.598 471 R HA 0.314 4.684 4.340 0.051 0.000 0.279 471 R C 0.432 176.774 176.300 0.070 0.000 0.984 471 R CA -0.792 55.322 56.100 0.023 0.000 0.999 471 R CB 0.988 31.106 30.300 -0.304 0.000 1.114 471 R HN 0.494 nan 8.270 nan 0.000 0.493 472 E N 0.605 120.830 120.200 0.042 0.000 2.422 472 E HA 0.024 4.405 4.350 0.051 0.000 0.260 472 E C -0.555 176.070 176.600 0.042 0.000 1.108 472 E CA 0.689 57.122 56.400 0.055 0.000 0.943 472 E CB 0.662 30.386 29.700 0.039 0.000 0.961 472 E HN 0.360 nan 8.360 nan 0.000 0.443 473 T N 3.463 118.052 114.554 0.058 0.000 2.881 473 T HA 0.314 4.694 4.350 0.051 0.000 0.291 473 T C -2.494 172.231 174.700 0.043 0.000 0.990 473 T CA -1.568 60.563 62.100 0.053 0.000 0.976 473 T CB 1.415 70.325 68.868 0.071 0.000 0.970 473 T HN 0.239 nan 8.240 nan 0.000 0.438 474 P HA 0.201 nan 4.420 nan 0.000 0.267 474 P C -2.497 174.812 177.300 0.015 0.000 1.200 474 P CA -1.206 61.903 63.100 0.015 0.000 0.772 474 P CB -0.456 31.248 31.700 0.006 0.000 0.855 475 P HA 0.250 nan 4.420 nan 0.000 0.269 475 P C 0.082 177.374 177.300 -0.012 0.000 1.209 475 P CA 0.445 63.536 63.100 -0.015 0.000 0.776 475 P CB 0.614 32.284 31.700 -0.050 0.000 0.876 476 G N 1.275 110.068 108.800 -0.012 0.000 2.600 476 G HA2 0.433 4.423 3.960 0.051 0.000 0.293 476 G HA3 0.433 4.423 3.960 0.051 0.000 0.293 476 G C -2.568 172.324 174.900 -0.013 0.000 1.408 476 G CA -0.867 44.228 45.100 -0.009 0.000 0.782 476 G HN 0.077 nan 8.290 nan 0.000 0.482 477 P HA 0.061 nan 4.420 nan 0.000 0.218 477 P C 0.092 177.388 177.300 -0.006 0.000 1.149 477 P CA 1.256 64.348 63.100 -0.013 0.000 0.817 477 P CB 0.142 31.836 31.700 -0.009 0.000 0.785 478 K N -1.883 118.520 120.400 0.005 0.000 2.525 478 K HA 0.348 4.699 4.320 0.051 0.000 0.254 478 K C -0.375 176.241 176.600 0.027 0.000 0.934 478 K CA -0.851 55.446 56.287 0.016 0.000 0.802 478 K CB 1.795 34.305 32.500 0.017 0.000 1.295 478 K HN -0.292 nan 8.250 nan 0.000 0.433 479 R N -0.221 120.303 120.500 0.039 0.000 3.641 479 R HA -0.139 4.232 4.340 0.051 0.000 0.286 479 R C 0.211 176.540 176.300 0.050 0.000 1.153 479 R CA 1.256 57.386 56.100 0.050 0.000 0.775 479 R CB -2.243 28.085 30.300 0.048 0.000 1.215 479 R HN 1.035 nan 8.270 nan 0.000 0.474 480 G N -0.961 107.864 108.800 0.043 0.000 2.511 480 G HA2 0.629 4.620 3.960 0.051 0.000 0.316 480 G HA3 0.629 4.620 3.960 0.051 0.000 0.316 480 G C 0.341 175.277 174.900 0.061 0.000 1.210 480 G CA 0.048 45.173 45.100 0.040 0.000 0.969 480 G HN 0.251 nan 8.290 nan 0.000 0.492 481 G N -1.432 107.405 108.800 0.062 0.000 2.606 481 G HA2 0.412 4.402 3.960 0.051 0.000 0.252 481 G HA3 0.412 4.402 3.960 0.051 0.000 0.252 481 G C -0.687 174.281 174.900 0.112 0.000 1.206 481 G CA -0.548 44.611 45.100 0.098 0.000 0.861 481 G HN 0.476 nan 8.290 nan 0.000 0.561 482 F N 0.315 120.280 119.950 0.024 0.000 2.456 482 F HA 0.426 4.984 4.527 0.052 0.000 0.358 482 F C 0.458 176.272 175.800 0.022 0.000 1.095 482 F CA -0.305 57.704 58.000 0.016 0.000 1.216 482 F CB 0.946 39.956 39.000 0.017 0.000 1.125 482 F HN 0.429 nan 8.300 nan 0.000 0.549 483 E N 4.466 124.310 120.200 -0.594 0.000 2.260 483 E HA 0.271 4.652 4.350 0.051 0.000 0.266 483 E C -1.158 175.053 176.600 -0.648 0.000 0.887 483 E CA -0.714 55.460 56.400 -0.377 0.000 0.777 483 E CB 1.506 31.093 29.700 -0.187 0.000 1.205 483 E HN 0.660 nan 8.360 nan 0.000 0.414 484 S N 2.560 118.069 115.700 -0.318 0.000 2.572 484 S HA -0.018 4.482 4.470 0.051 0.000 0.279 484 S C -0.487 174.060 174.600 -0.088 0.000 1.341 484 S CA -0.283 57.823 58.200 -0.157 0.000 1.043 484 S CB 0.132 63.416 63.200 0.140 0.000 0.887 484 S HN 0.476 nan 8.310 nan 0.000 0.516 485 Y N 2.430 122.641 120.300 -0.150 0.000 2.544 485 Y HA 0.004 4.585 4.550 0.051 0.000 0.330 485 Y C 0.936 176.805 175.900 -0.052 0.000 1.136 485 Y CA 0.048 58.081 58.100 -0.111 0.000 1.417 485 Y CB 0.157 38.552 38.460 -0.108 0.000 1.229 485 Y HN 0.570 nan 8.280 nan 0.000 0.532 486 Q N 5.463 124.914 119.800 -0.581 0.000 3.223 486 Q HA -0.027 4.343 4.340 0.051 0.000 0.299 486 Q C -0.084 175.615 176.000 -0.501 0.000 1.385 486 Q CA 0.051 55.598 55.803 -0.426 0.000 0.942 486 Q CB -0.293 28.258 28.738 -0.311 0.000 1.748 486 Q HN 0.675 nan 8.270 nan 0.000 0.523 487 E N 1.488 121.473 120.200 -0.359 0.000 2.415 487 E HA -0.005 4.376 4.350 0.051 0.000 0.262 487 E C -0.103 176.454 176.600 -0.073 0.000 1.038 487 E CA -0.610 55.698 56.400 -0.153 0.000 0.921 487 E CB 0.669 30.419 29.700 0.083 0.000 0.950 487 E HN 0.102 nan 8.360 nan 0.000 0.438 488 R N 3.423 123.908 120.500 -0.025 0.000 2.316 488 R HA 0.184 4.554 4.340 0.051 0.000 0.314 488 R C -1.628 174.692 176.300 0.032 0.000 1.069 488 R CA -0.186 55.914 56.100 0.001 0.000 0.959 488 R CB 0.409 30.722 30.300 0.021 0.000 0.987 488 R HN 0.276 nan 8.270 nan 0.000 0.446 489 V N 4.928 124.854 119.914 0.020 0.000 2.513 489 V HA 0.527 4.678 4.120 0.051 0.000 0.299 489 V C -0.346 175.759 176.094 0.019 0.000 1.035 489 V CA -0.660 61.657 62.300 0.028 0.000 0.889 489 V CB 1.524 33.361 31.823 0.023 0.000 0.988 489 V HN 0.873 nan 8.190 nan 0.000 0.440 490 E N 2.628 122.841 120.200 0.021 0.000 2.522 490 E HA 0.581 4.961 4.350 0.051 0.000 0.315 490 E C -0.661 175.944 176.600 0.008 0.000 0.917 490 E CA -0.100 56.307 56.400 0.012 0.000 0.796 490 E CB 1.782 31.489 29.700 0.012 0.000 1.323 490 E HN 1.048 nan 8.360 nan 0.000 0.397 491 G N 2.688 111.488 108.800 0.000 0.000 2.328 491 G HA2 0.115 4.106 3.960 0.051 0.000 0.299 491 G HA3 0.115 4.106 3.960 0.051 0.000 0.299 491 G C -1.494 173.400 174.900 -0.010 0.000 1.435 491 G CA -0.992 44.105 45.100 -0.006 0.000 0.865 491 G HN 0.381 nan 8.290 nan 0.000 0.601 492 N N 0.247 118.937 118.700 -0.015 0.000 2.493 492 N HA 0.312 5.083 4.740 0.051 0.000 0.275 492 N C -0.004 175.493 175.510 -0.021 0.000 1.186 492 N CA -0.211 52.829 53.050 -0.017 0.000 0.978 492 N CB 1.001 39.477 38.487 -0.019 0.000 1.184 492 N HN 0.465 nan 8.380 nan 0.000 0.487 493 K N 0.941 121.328 120.400 -0.021 0.000 2.351 493 K HA 0.152 4.503 4.320 0.051 0.000 0.287 493 K C -0.376 176.204 176.600 -0.033 0.000 1.068 493 K CA -0.071 56.200 56.287 -0.026 0.000 0.998 493 K CB -0.160 32.326 32.500 -0.023 0.000 0.968 493 K HN 0.349 nan 8.250 nan 0.000 0.464 494 V N 0.341 120.230 119.914 -0.041 0.000 3.007 494 V HA 0.484 4.634 4.120 0.051 0.000 0.311 494 V C -0.497 175.558 176.094 -0.065 0.000 1.120 494 V CA -1.364 60.906 62.300 -0.049 0.000 0.980 494 V CB 2.052 33.846 31.823 -0.048 0.000 1.033 494 V HN 0.599 nan 8.190 nan 0.000 0.429 495 R N 2.247 122.703 120.500 -0.073 0.000 2.522 495 R HA 0.587 4.957 4.340 0.051 0.000 0.290 495 R C -0.475 175.775 176.300 -0.083 0.000 1.216 495 R CA -0.110 55.933 56.100 -0.095 0.000 1.250 495 R CB 0.655 30.886 30.300 -0.116 0.000 1.143 495 R HN 0.936 nan 8.270 nan 0.000 0.553 496 E N 2.154 122.301 120.200 -0.088 0.000 2.321 496 E HA 0.213 4.594 4.350 0.051 0.000 0.281 496 E C -1.262 175.268 176.600 -0.116 0.000 0.910 496 E CA -0.997 55.354 56.400 -0.083 0.000 0.770 496 E CB 1.545 31.204 29.700 -0.067 0.000 1.225 496 E HN 0.127 nan 8.360 nan 0.000 0.417 497 R N 1.593 122.029 120.500 -0.108 0.000 2.490 497 R HA 0.210 4.580 4.340 0.051 0.000 0.280 497 R C -0.510 175.677 176.300 -0.188 0.000 1.077 497 R CA 0.138 56.137 56.100 -0.168 0.000 1.065 497 R CB 1.179 31.436 30.300 -0.072 0.000 1.003 497 R HN 0.384 nan 8.270 nan 0.000 0.470 498 S N 4.697 120.182 115.700 -0.358 0.000 2.533 498 S HA 0.152 4.652 4.470 0.051 0.000 0.282 498 S C -1.561 173.009 174.600 -0.049 0.000 1.304 498 S CA -1.347 56.720 58.200 -0.220 0.000 1.063 498 S CB 0.718 63.725 63.200 -0.322 0.000 0.881 498 S HN 0.521 nan 8.310 nan 0.000 0.493 499 P HA -0.140 nan 4.420 nan 0.000 0.216 499 P C 1.586 178.929 177.300 0.073 0.000 1.150 499 P CA 1.419 64.537 63.100 0.030 0.000 0.843 499 P CB -0.135 31.573 31.700 0.014 0.000 0.787 500 S N -2.072 113.709 115.700 0.134 0.000 2.442 500 S HA -0.139 4.362 4.470 0.051 0.000 0.236 500 S C 1.524 176.274 174.600 0.250 0.000 1.007 500 S CA 0.990 59.302 58.200 0.187 0.000 0.965 500 S CB -1.410 61.941 63.200 0.252 0.000 0.773 500 S HN -0.020 nan 8.310 nan 0.000 0.504 501 F N 2.168 122.103 119.950 -0.024 0.000 2.743 501 F HA 0.385 4.942 4.527 0.051 0.000 0.297 501 F C 2.056 177.782 175.800 -0.124 0.000 1.131 501 F CA -0.746 57.234 58.000 -0.034 0.000 1.426 501 F CB -0.768 38.244 39.000 0.021 0.000 1.116 501 F HN 0.342 nan 8.300 nan 0.000 0.583 502 G N 0.694 109.496 108.800 0.003 0.000 3.392 502 G HA2 0.051 4.041 3.960 0.051 0.000 0.247 502 G HA3 0.051 4.041 3.960 0.051 0.000 0.247 502 G C 0.013 174.498 174.900 -0.693 0.000 1.161 502 G CA 0.179 45.103 45.100 -0.294 0.000 1.739 502 G HN 0.054 nan 8.290 nan 0.000 0.619 503 E N 0.135 119.831 120.200 -0.840 0.000 2.260 503 E HA 0.304 4.684 4.350 0.051 0.000 0.266 503 E C -0.888 175.262 176.600 -0.750 0.000 0.887 503 E CA -0.790 55.201 56.400 -0.682 0.000 0.777 503 E CB 1.412 30.957 29.700 -0.257 0.000 1.205 503 E HN 0.227 nan 8.360 nan 0.000 0.414 504 Y N 2.732 122.813 120.300 -0.365 0.000 2.453 504 Y HA 0.197 4.778 4.550 0.051 0.000 0.247 504 Y C 0.669 176.287 175.900 -0.469 0.000 1.124 504 Y CA -0.101 57.696 58.100 -0.504 0.000 1.243 504 Y CB 0.434 38.440 38.460 -0.757 0.000 1.213 504 Y HN 0.427 nan 8.280 nan 0.000 0.523 505 Y N -1.417 118.966 120.300 0.139 0.000 2.444 505 Y HA 0.099 4.679 4.550 0.051 0.000 0.252 505 Y C 2.370 178.334 175.900 0.107 0.000 1.091 505 Y CA 0.099 58.278 58.100 0.131 0.000 1.276 505 Y CB -0.279 38.263 38.460 0.135 0.000 1.170 505 Y HN 0.068 nan 8.280 nan 0.000 0.517 506 S N -0.866 114.963 115.700 0.215 0.000 2.402 506 S HA -0.182 4.318 4.470 0.051 0.000 0.229 506 S C 1.446 176.125 174.600 0.131 0.000 1.021 506 S CA 1.497 59.808 58.200 0.185 0.000 0.974 506 S CB -0.497 62.817 63.200 0.190 0.000 0.800 506 S HN 0.429 nan 8.310 nan 0.000 0.484 507 H N 2.761 121.748 119.070 -0.138 0.000 2.363 507 H HA 0.199 4.786 4.556 0.051 0.000 0.301 507 H C -0.685 174.457 175.328 -0.311 0.000 1.074 507 H CA 1.312 57.117 56.048 -0.405 0.000 1.354 507 H CB -1.582 27.687 29.762 -0.821 0.000 1.397 507 H HN 0.385 nan 8.280 nan 0.000 0.516 508 P HA -0.168 nan 4.420 nan 0.000 0.216 508 P C 1.456 178.966 177.300 0.350 0.000 1.153 508 P CA 1.691 64.977 63.100 0.311 0.000 0.858 508 P CB 0.105 32.000 31.700 0.325 0.000 0.789 509 R N -0.462 120.187 120.500 0.247 0.000 2.073 509 R HA -0.090 4.280 4.340 0.051 0.000 0.229 509 R C 2.174 178.607 176.300 0.222 0.000 1.120 509 R CA 0.940 57.189 56.100 0.248 0.000 0.967 509 R CB -1.003 29.401 30.300 0.174 0.000 0.862 509 R HN 0.066 nan 8.270 nan 0.000 0.436 510 L N 0.467 121.762 121.223 0.120 0.000 2.042 510 L HA -0.142 4.229 4.340 0.051 0.000 0.210 510 L C 1.982 178.906 176.870 0.090 0.000 1.076 510 L CA 1.747 56.616 54.840 0.048 0.000 0.749 510 L CB -0.637 41.371 42.059 -0.084 0.000 0.893 510 L HN 0.233 nan 8.230 nan 0.000 0.432 511 F N -0.806 119.170 119.950 0.045 0.000 2.102 511 F HA -0.259 4.298 4.527 0.051 0.000 0.298 511 F C 2.312 178.104 175.800 -0.014 0.000 1.105 511 F CA 2.070 60.070 58.000 -0.000 0.000 1.239 511 F CB -0.675 38.357 39.000 0.054 0.000 0.991 511 F HN 0.366 nan 8.300 nan 0.000 0.474 512 W N 1.445 122.726 121.300 -0.031 0.000 2.318 512 W HA -0.257 4.433 4.660 0.051 0.000 0.313 512 W C 1.709 178.102 176.519 -0.211 0.000 1.221 512 W CA 1.903 59.172 57.345 -0.126 0.000 1.266 512 W CB -0.710 28.779 29.460 0.048 0.000 1.150 512 W HN 0.102 nan 8.180 nan 0.000 0.496 513 L N 0.972 122.083 121.223 -0.188 0.000 2.376 513 L HA -0.134 4.237 4.340 0.051 0.000 0.219 513 L C 2.354 179.024 176.870 -0.333 0.000 1.133 513 L CA 0.948 55.624 54.840 -0.274 0.000 0.816 513 L CB -0.635 41.396 42.059 -0.047 0.000 0.933 513 L HN -0.156 nan 8.230 nan 0.000 0.449 514 S N -1.356 114.129 115.700 -0.357 0.000 2.558 514 S HA 0.045 4.545 4.470 0.051 0.000 0.217 514 S C 0.741 175.054 174.600 -0.478 0.000 0.975 514 S CA 0.138 58.130 58.200 -0.347 0.000 0.912 514 S CB 0.020 63.052 63.200 -0.279 0.000 0.776 514 S HN 0.305 nan 8.310 nan 0.000 0.526 515 Q N 2.172 121.578 119.800 -0.657 0.000 2.260 515 Q HA 0.273 4.644 4.340 0.051 0.000 0.242 515 Q C 0.639 176.246 176.000 -0.656 0.000 0.932 515 Q CA -0.095 55.283 55.803 -0.708 0.000 0.891 515 Q CB 0.440 28.677 28.738 -0.835 0.000 1.222 515 Q HN 0.423 nan 8.270 nan 0.000 0.453 516 T N -1.753 112.374 114.554 -0.712 0.000 2.701 516 T HA 0.141 4.522 4.350 0.051 0.000 0.303 516 T C -1.718 172.533 174.700 -0.748 0.000 1.030 516 T CA -1.275 60.367 62.100 -0.763 0.000 1.010 516 T CB 0.185 68.329 68.868 -1.208 0.000 1.007 516 T HN 0.236 nan 8.240 nan 0.000 0.532 517 P HA -0.015 nan 4.420 nan 0.000 0.216 517 P C 1.445 178.547 177.300 -0.329 0.000 1.153 517 P CA 1.070 63.956 63.100 -0.357 0.000 0.848 517 P CB -0.279 31.323 31.700 -0.163 0.000 0.787 518 F N -0.244 119.515 119.950 -0.317 0.000 2.367 518 F HA 0.103 4.660 4.527 0.051 0.000 0.298 518 F C 1.822 177.269 175.800 -0.588 0.000 1.094 518 F CA 0.694 58.438 58.000 -0.427 0.000 1.409 518 F CB -1.360 37.388 39.000 -0.419 0.000 1.064 518 F HN -0.119 nan 8.300 nan 0.000 0.528 519 E N 0.706 120.425 120.200 -0.803 0.000 2.072 519 E HA -0.194 4.186 4.350 0.051 0.000 0.191 519 E C 2.219 178.639 176.600 -0.300 0.000 0.985 519 E CA 1.351 57.462 56.400 -0.482 0.000 0.801 519 E CB -0.255 29.093 29.700 -0.587 0.000 0.750 519 E HN 0.612 nan 8.360 nan 0.000 0.452 520 Q N 0.341 119.872 119.800 -0.448 0.000 2.096 520 Q HA -0.223 4.148 4.340 0.051 0.000 0.204 520 Q C 2.255 178.286 176.000 0.052 0.000 0.982 520 Q CA 1.398 56.961 55.803 -0.400 0.000 0.850 520 Q CB -0.173 28.067 28.738 -0.830 0.000 0.901 520 Q HN 0.005 nan 8.270 nan 0.000 0.422 521 R N 0.410 120.907 120.500 -0.005 0.000 2.081 521 R HA -0.155 4.216 4.340 0.051 0.000 0.235 521 R C 1.665 178.126 176.300 0.268 0.000 1.131 521 R CA 1.909 58.087 56.100 0.130 0.000 0.960 521 R CB -0.437 29.906 30.300 0.071 0.000 0.856 521 R HN 0.473 nan 8.270 nan 0.000 0.436 522 H N -0.721 118.448 119.070 0.165 0.000 2.421 522 H HA -0.025 4.561 4.556 0.051 0.000 0.298 522 H C 2.003 177.447 175.328 0.194 0.000 1.087 522 H CA 1.254 57.410 56.048 0.180 0.000 1.330 522 H CB 0.001 29.877 29.762 0.191 0.000 1.388 522 H HN 0.194 nan 8.280 nan 0.000 0.526 523 I N 0.217 121.003 120.570 0.360 0.000 2.179 523 I HA -0.249 3.952 4.170 0.051 0.000 0.242 523 I C 2.277 178.683 176.117 0.482 0.000 1.088 523 I CA 0.760 62.311 61.300 0.417 0.000 1.357 523 I CB -0.195 38.151 38.000 0.576 0.000 1.051 523 I HN 0.086 nan 8.210 nan 0.000 0.409 524 V N 1.038 121.223 119.914 0.452 0.000 2.255 524 V HA -0.329 3.822 4.120 0.051 0.000 0.247 524 V C 2.129 178.396 176.094 0.288 0.000 1.051 524 V CA 2.195 64.706 62.300 0.351 0.000 1.018 524 V CB -0.754 31.231 31.823 0.270 0.000 0.641 524 V HN 0.414 nan 8.190 nan 0.000 0.445 525 D N 0.593 121.145 120.400 0.253 0.000 2.149 525 D HA -0.135 4.535 4.640 0.051 0.000 0.198 525 D C 2.169 178.544 176.300 0.125 0.000 0.990 525 D CA 1.710 55.826 54.000 0.194 0.000 0.839 525 D CB -0.635 40.287 40.800 0.203 0.000 0.948 525 D HN 0.504 nan 8.370 nan 0.000 0.460 526 G N -0.129 108.724 108.800 0.088 0.000 2.404 526 G HA2 -0.233 3.758 3.960 0.051 0.000 0.215 526 G HA3 -0.233 3.758 3.960 0.051 0.000 0.215 526 G C 1.481 176.381 174.900 0.001 0.000 1.174 526 G CA 0.117 45.175 45.100 -0.071 0.000 0.780 526 G HN 0.155 nan 8.290 nan 0.000 0.537 527 F N 1.845 121.834 119.950 0.065 0.000 2.095 527 F HA -0.080 4.478 4.527 0.051 0.000 0.298 527 F C 3.151 178.872 175.800 -0.132 0.000 1.104 527 F CA 1.643 59.624 58.000 -0.032 0.000 1.232 527 F CB -0.355 38.635 39.000 -0.016 0.000 0.987 527 F HN 0.089 nan 8.300 nan 0.000 0.475 528 S N -0.251 115.547 115.700 0.164 0.000 2.368 528 S HA -0.208 4.292 4.470 0.051 0.000 0.225 528 S C 1.881 176.511 174.600 0.051 0.000 1.030 528 S CA 1.302 59.547 58.200 0.075 0.000 0.999 528 S CB -0.750 62.514 63.200 0.108 0.000 0.844 528 S HN 0.419 nan 8.310 nan 0.000 0.459 529 F N 2.473 122.384 119.950 -0.065 0.000 2.113 529 F HA -0.072 4.485 4.527 0.050 0.000 0.297 529 F C 2.270 178.011 175.800 -0.098 0.000 1.103 529 F CA 1.460 59.414 58.000 -0.077 0.000 1.248 529 F CB -0.301 38.607 39.000 -0.153 0.000 0.999 529 F HN 0.139 nan 8.300 nan 0.000 0.475 530 E N 0.105 120.280 120.200 -0.043 0.000 2.106 530 E HA -0.179 4.201 4.350 0.051 0.000 0.192 530 E C 2.151 178.543 176.600 -0.348 0.000 0.984 530 E CA 0.967 57.286 56.400 -0.135 0.000 0.806 530 E CB -0.338 29.456 29.700 0.156 0.000 0.750 530 E HN 0.322 nan 8.360 nan 0.000 0.458 531 L N 1.058 122.011 121.223 -0.450 0.000 2.141 531 L HA -0.098 4.273 4.340 0.051 0.000 0.209 531 L C 2.293 179.003 176.870 -0.267 0.000 1.094 531 L CA 1.370 55.934 54.840 -0.459 0.000 0.763 531 L CB -0.836 40.986 42.059 -0.395 0.000 0.908 531 L HN -0.037 nan 8.230 nan 0.000 0.437 532 S N -0.618 114.946 115.700 -0.226 0.000 2.400 532 S HA -0.140 4.361 4.470 0.051 0.000 0.232 532 S C 1.695 176.190 174.600 -0.175 0.000 1.025 532 S CA 0.970 59.064 58.200 -0.176 0.000 0.993 532 S CB -0.089 63.008 63.200 -0.171 0.000 0.808 532 S HN 0.341 nan 8.310 nan 0.000 0.478 533 K N 1.175 121.437 120.400 -0.229 0.000 2.487 533 K HA 0.205 4.556 4.320 0.051 0.000 0.192 533 K C 0.042 176.623 176.600 -0.031 0.000 1.027 533 K CA 0.076 56.278 56.287 -0.141 0.000 1.054 533 K CB -0.247 32.142 32.500 -0.185 0.000 0.824 533 K HN 0.210 nan 8.250 nan 0.000 0.510 534 V N 2.000 121.875 119.914 -0.064 0.000 2.432 534 V HA 0.006 4.156 4.120 0.051 0.000 0.271 534 V C 1.761 177.836 176.094 -0.032 0.000 1.046 534 V CA -0.139 62.151 62.300 -0.018 0.000 0.945 534 V CB 1.432 33.215 31.823 -0.067 0.000 0.992 534 V HN -0.137 nan 8.190 nan 0.000 0.471 535 V N 5.081 124.997 119.914 0.003 0.000 2.379 535 V HA -0.065 4.086 4.120 0.051 0.000 0.245 535 V C 1.295 177.372 176.094 -0.029 0.000 1.044 535 V CA 1.352 63.652 62.300 0.000 0.000 1.036 535 V CB -0.467 31.374 31.823 0.030 0.000 0.664 535 V HN 0.772 nan 8.190 nan 0.000 0.453 536 R N 0.940 121.394 120.500 -0.077 0.000 2.248 536 R HA 0.192 4.563 4.340 0.051 0.000 0.337 536 R C -1.710 174.466 176.300 -0.208 0.000 1.085 536 R CA -1.468 54.558 56.100 -0.123 0.000 0.934 536 R CB 0.548 30.709 30.300 -0.232 0.000 1.034 536 R HN 0.253 nan 8.270 nan 0.000 0.465 537 P HA -0.231 nan 4.420 nan 0.000 0.217 537 P C 0.805 178.081 177.300 -0.040 0.000 1.148 537 P CA 1.243 64.317 63.100 -0.044 0.000 0.828 537 P CB -0.043 31.666 31.700 0.015 0.000 0.783 538 Y N -1.084 119.215 120.300 -0.001 0.000 2.256 538 Y HA -0.125 4.456 4.550 0.051 0.000 0.288 538 Y C 1.974 177.879 175.900 0.008 0.000 1.155 538 Y CA 0.830 58.931 58.100 0.001 0.000 1.203 538 Y CB -1.805 36.656 38.460 0.002 0.000 0.980 538 Y HN -0.101 nan 8.280 nan 0.000 0.530 539 I N 0.794 121.003 120.570 -0.602 0.000 2.252 539 I HA -0.236 3.965 4.170 0.051 0.000 0.245 539 I C 2.540 178.580 176.117 -0.130 0.000 1.102 539 I CA 1.355 62.449 61.300 -0.343 0.000 1.385 539 I CB -0.407 37.363 38.000 -0.384 0.000 1.064 539 I HN 0.196 nan 8.210 nan 0.000 0.414 540 R N 0.873 121.285 120.500 -0.146 0.000 2.091 540 R HA -0.190 4.180 4.340 0.051 0.000 0.238 540 R C 2.137 178.393 176.300 -0.074 0.000 1.136 540 R CA 1.551 57.576 56.100 -0.125 0.000 0.959 540 R CB -0.407 29.816 30.300 -0.127 0.000 0.856 540 R HN 0.453 nan 8.270 nan 0.000 0.437 541 E N 0.407 120.587 120.200 -0.035 0.000 2.077 541 E HA -0.161 4.219 4.350 0.051 0.000 0.193 541 E C 2.128 178.737 176.600 0.016 0.000 0.989 541 E CA 1.056 57.455 56.400 -0.003 0.000 0.800 541 E CB -0.018 29.701 29.700 0.033 0.000 0.746 541 E HN 0.287 nan 8.360 nan 0.000 0.452 542 R N 0.318 120.843 120.500 0.043 0.000 2.115 542 R HA -0.081 4.289 4.340 0.051 0.000 0.230 542 R C 2.376 178.709 176.300 0.054 0.000 1.111 542 R CA 0.986 57.123 56.100 0.063 0.000 0.976 542 R CB -0.211 30.145 30.300 0.094 0.000 0.870 542 R HN 0.069 nan 8.270 nan 0.000 0.445 543 V N 0.362 120.303 119.914 0.044 0.000 2.379 543 V HA -0.178 3.973 4.120 0.051 0.000 0.245 543 V C 2.319 178.400 176.094 -0.021 0.000 1.044 543 V CA 1.378 63.717 62.300 0.064 0.000 1.036 543 V CB -0.284 31.600 31.823 0.101 0.000 0.664 543 V HN 0.098 nan 8.190 nan 0.000 0.453 544 V N 0.634 120.506 119.914 -0.069 0.000 2.392 544 V HA -0.332 3.818 4.120 0.051 0.000 0.249 544 V C 2.313 178.365 176.094 -0.071 0.000 1.059 544 V CA 2.524 64.757 62.300 -0.111 0.000 1.051 544 V CB -0.684 31.076 31.823 -0.105 0.000 0.658 544 V HN 0.667 nan 8.190 nan 0.000 0.455 545 D N -0.853 119.539 120.400 -0.012 0.000 2.123 545 D HA -0.209 4.462 4.640 0.051 0.000 0.196 545 D C 2.273 178.651 176.300 0.131 0.000 0.992 545 D CA 1.226 55.248 54.000 0.037 0.000 0.833 545 D CB -0.009 40.835 40.800 0.073 0.000 0.954 545 D HN 0.341 nan 8.370 nan 0.000 0.455 546 Q N -0.262 119.607 119.800 0.113 0.000 2.119 546 Q HA -0.076 4.294 4.340 0.051 0.000 0.201 546 Q C 2.568 178.614 176.000 0.077 0.000 0.972 546 Q CA 0.621 56.514 55.803 0.150 0.000 0.847 546 Q CB -0.231 28.601 28.738 0.157 0.000 0.903 546 Q HN 0.461 nan 8.270 nan 0.000 0.433 547 L N 0.123 121.316 121.223 -0.050 0.000 2.083 547 L HA -0.139 4.231 4.340 0.051 0.000 0.209 547 L C 2.396 179.153 176.870 -0.189 0.000 1.083 547 L CA 1.027 55.756 54.840 -0.186 0.000 0.752 547 L CB -0.678 41.159 42.059 -0.370 0.000 0.899 547 L HN 0.097 nan 8.230 nan 0.000 0.433 548 A N -0.681 122.041 122.820 -0.163 0.000 2.070 548 A HA -0.221 4.129 4.320 0.051 0.000 0.220 548 A C 1.792 179.198 177.584 -0.297 0.000 1.159 548 A CA 1.437 53.341 52.037 -0.220 0.000 0.656 548 A CB -0.770 18.101 19.000 -0.216 0.000 0.800 548 A HN 0.467 nan 8.150 nan 0.000 0.453 549 H N -1.257 117.609 119.070 -0.341 0.000 2.548 549 H HA 0.243 4.829 4.556 0.051 0.000 0.268 549 H C 1.608 176.669 175.328 -0.445 0.000 0.975 549 H CA 1.082 56.799 56.048 -0.553 0.000 1.195 549 H CB 0.076 29.081 29.762 -1.261 0.000 1.397 549 H HN 0.506 nan 8.280 nan 0.000 0.572 550 I N -1.180 119.301 120.570 -0.148 0.000 2.899 550 I HA 0.078 4.279 4.170 0.051 0.000 0.257 550 I C -0.137 175.918 176.117 -0.103 0.000 1.115 550 I CA 0.433 61.715 61.300 -0.030 0.000 1.451 550 I CB 0.662 38.681 38.000 0.032 0.000 1.251 550 I HN 0.107 nan 8.210 nan 0.000 0.456 551 D N -0.332 119.934 120.400 -0.224 0.000 2.871 551 D HA 0.132 4.803 4.640 0.051 0.000 0.209 551 D C 0.262 176.404 176.300 -0.264 0.000 1.292 551 D CA -0.394 53.458 54.000 -0.247 0.000 0.869 551 D CB 1.423 41.977 40.800 -0.410 0.000 1.663 551 D HN -0.074 nan 8.370 nan 0.000 0.557 552 L N 3.104 124.228 121.223 -0.166 0.000 2.083 552 L HA -0.057 4.314 4.340 0.051 0.000 0.209 552 L C 1.225 178.016 176.870 -0.132 0.000 1.083 552 L CA 2.042 56.795 54.840 -0.144 0.000 0.752 552 L CB -0.799 41.202 42.059 -0.096 0.000 0.899 552 L HN 0.604 nan 8.230 nan 0.000 0.433 553 T N 0.913 115.413 114.554 -0.090 0.000 2.746 553 T HA -0.201 4.179 4.350 0.051 0.000 0.267 553 T C 1.862 176.497 174.700 -0.108 0.000 1.039 553 T CA 1.638 63.723 62.100 -0.026 0.000 1.142 553 T CB -0.336 68.600 68.868 0.114 0.000 0.866 553 T HN 0.343 nan 8.240 nan 0.000 0.444 554 L N 1.480 122.485 121.223 -0.363 0.000 2.056 554 L HA 0.123 4.493 4.340 0.051 0.000 0.207 554 L C 2.587 179.227 176.870 -0.383 0.000 1.078 554 L CA 1.910 56.388 54.840 -0.604 0.000 0.749 554 L CB -0.991 40.251 42.059 -1.362 0.000 0.901 554 L HN 0.194 nan 8.230 nan 0.000 0.433 555 A N -0.902 121.713 122.820 -0.341 0.000 1.877 555 A HA -0.252 4.099 4.320 0.051 0.000 0.216 555 A C 2.243 179.725 177.584 -0.169 0.000 1.186 555 A CA 1.890 53.773 52.037 -0.257 0.000 0.620 555 A CB -0.697 18.169 19.000 -0.222 0.000 0.822 555 A HN 0.664 nan 8.150 nan 0.000 0.443 556 Q N -0.776 118.947 119.800 -0.128 0.000 2.084 556 Q HA -0.124 4.246 4.340 0.051 0.000 0.202 556 Q C 2.446 178.413 176.000 -0.054 0.000 0.978 556 Q CA 1.390 57.147 55.803 -0.077 0.000 0.844 556 Q CB -0.385 28.322 28.738 -0.051 0.000 0.898 556 Q HN 0.694 nan 8.270 nan 0.000 0.426 557 A N 0.174 122.967 122.820 -0.045 0.000 1.902 557 A HA -0.153 4.198 4.320 0.051 0.000 0.217 557 A C 2.302 179.880 177.584 -0.009 0.000 1.181 557 A CA 1.452 53.489 52.037 -0.000 0.000 0.623 557 A CB -0.697 18.332 19.000 0.049 0.000 0.818 557 A HN 0.221 nan 8.150 nan 0.000 0.443 558 V N -0.188 119.691 119.914 -0.059 0.000 2.307 558 V HA -0.218 3.933 4.120 0.051 0.000 0.245 558 V C 3.075 179.132 176.094 -0.062 0.000 1.045 558 V CA 1.853 64.115 62.300 -0.062 0.000 1.024 558 V CB -1.292 30.435 31.823 -0.159 0.000 0.651 558 V HN 0.617 nan 8.190 nan 0.000 0.449 559 A N -0.026 122.746 122.820 -0.080 0.000 1.917 559 A HA -0.325 4.025 4.320 0.051 0.000 0.219 559 A C 2.342 179.905 177.584 -0.035 0.000 1.182 559 A CA 2.461 54.461 52.037 -0.062 0.000 0.633 559 A CB -0.563 18.398 19.000 -0.065 0.000 0.819 559 A HN 0.554 nan 8.150 nan 0.000 0.448 560 K N -0.563 119.824 120.400 -0.022 0.000 2.097 560 K HA -0.165 4.186 4.320 0.051 0.000 0.206 560 K C 1.370 177.974 176.600 0.007 0.000 1.049 560 K CA 1.511 57.796 56.287 -0.004 0.000 0.933 560 K CB -0.185 32.318 32.500 0.006 0.000 0.717 560 K HN 0.430 nan 8.250 nan 0.000 0.442 561 N N 0.638 119.345 118.700 0.012 0.000 2.396 561 N HA -0.066 4.705 4.740 0.051 0.000 0.180 561 N C 1.229 176.745 175.510 0.009 0.000 1.028 561 N CA 0.778 53.843 53.050 0.025 0.000 0.893 561 N CB 0.154 38.668 38.487 0.046 0.000 0.967 561 N HN 0.268 nan 8.380 nan 0.000 0.440 562 L N -0.804 120.412 121.223 -0.012 0.000 2.640 562 L HA 0.262 4.633 4.340 0.051 0.000 0.230 562 L C 0.919 177.777 176.870 -0.019 0.000 1.123 562 L CA -0.060 54.764 54.840 -0.026 0.000 0.900 562 L CB -0.029 42.000 42.059 -0.051 0.000 1.146 562 L HN 0.074 nan 8.230 nan 0.000 0.484 563 G N 1.533 110.326 108.800 -0.011 0.000 2.176 563 G HA2 -0.282 3.709 3.960 0.051 0.000 0.252 563 G HA3 -0.282 3.709 3.960 0.051 0.000 0.252 563 G C 0.023 174.915 174.900 -0.013 0.000 1.024 563 G CA 0.045 45.141 45.100 -0.007 0.000 0.755 563 G HN 0.318 nan 8.290 nan 0.000 0.507 564 I N 0.157 120.715 120.570 -0.021 0.000 2.412 564 I HA 0.388 4.588 4.170 0.051 0.000 0.296 564 I C 0.205 176.307 176.117 -0.025 0.000 0.987 564 I CA -0.676 60.610 61.300 -0.024 0.000 1.180 564 I CB 1.556 39.535 38.000 -0.035 0.000 1.340 564 I HN 0.065 nan 8.210 nan 0.000 0.455 565 E N 6.580 126.767 120.200 -0.022 0.000 2.113 565 E HA 0.412 4.792 4.350 0.051 0.000 0.273 565 E C -0.915 175.667 176.600 -0.029 0.000 0.924 565 E CA -0.668 55.718 56.400 -0.023 0.000 0.764 565 E CB 1.839 31.529 29.700 -0.016 0.000 1.104 565 E HN 0.425 nan 8.360 nan 0.000 0.406 566 L N 2.561 123.760 121.223 -0.039 0.000 2.483 566 L HA 0.077 4.448 4.340 0.051 0.000 0.276 566 L C 1.213 178.059 176.870 -0.040 0.000 1.213 566 L CA 0.048 54.860 54.840 -0.047 0.000 0.843 566 L CB -0.032 41.990 42.059 -0.062 0.000 1.107 566 L HN 0.608 nan 8.230 nan 0.000 0.487 567 T N -2.875 111.654 114.554 -0.041 0.000 2.847 567 T HA 0.099 4.479 4.350 0.051 0.000 0.279 567 T C 0.745 175.420 174.700 -0.042 0.000 0.984 567 T CA -0.823 61.256 62.100 -0.035 0.000 0.988 567 T CB 1.318 70.169 68.868 -0.029 0.000 1.040 567 T HN 0.508 nan 8.240 nan 0.000 0.528 568 D N 0.311 120.690 120.400 -0.035 0.000 2.144 568 D HA -0.084 4.586 4.640 0.051 0.000 0.200 568 D C 1.520 177.792 176.300 -0.046 0.000 0.978 568 D CA 1.136 55.114 54.000 -0.037 0.000 0.833 568 D CB -0.139 40.645 40.800 -0.027 0.000 0.961 568 D HN 0.574 nan 8.370 nan 0.000 0.470 569 D N 0.684 121.057 120.400 -0.045 0.000 2.117 569 D HA -0.130 4.541 4.640 0.051 0.000 0.197 569 D C 2.143 178.390 176.300 -0.088 0.000 0.987 569 D CA 0.811 54.779 54.000 -0.055 0.000 0.829 569 D CB -0.244 40.532 40.800 -0.040 0.000 0.961 569 D HN 0.324 nan 8.370 nan 0.000 0.460 570 Q N -0.460 119.284 119.800 -0.094 0.000 2.124 570 Q HA -0.097 4.273 4.340 0.051 0.000 0.202 570 Q C 1.859 177.772 176.000 -0.145 0.000 0.977 570 Q CA 0.522 56.242 55.803 -0.140 0.000 0.850 570 Q CB 0.004 28.675 28.738 -0.112 0.000 0.901 570 Q HN 0.190 nan 8.270 nan 0.000 0.429 571 L N 0.646 121.807 121.223 -0.102 0.000 2.201 571 L HA -0.141 4.230 4.340 0.051 0.000 0.212 571 L C 0.861 177.679 176.870 -0.087 0.000 1.105 571 L CA 1.695 56.483 54.840 -0.088 0.000 0.775 571 L CB -0.506 41.517 42.059 -0.061 0.000 0.913 571 L HN 0.200 nan 8.230 nan 0.000 0.440 572 N N -1.427 117.221 118.700 -0.086 0.000 2.235 572 N HA 0.186 4.957 4.740 0.051 0.000 0.209 572 N C 0.084 175.538 175.510 -0.093 0.000 1.122 572 N CA -0.156 52.850 53.050 -0.074 0.000 0.845 572 N CB 0.371 38.826 38.487 -0.053 0.000 1.004 572 N HN 0.179 nan 8.380 nan 0.000 0.499 573 I N 1.627 122.110 120.570 -0.146 0.000 2.598 573 I HA -0.044 4.157 4.170 0.051 0.000 0.284 573 I C 0.333 176.368 176.117 -0.136 0.000 1.140 573 I CA 0.139 61.324 61.300 -0.192 0.000 1.420 573 I CB 0.464 38.233 38.000 -0.386 0.000 1.387 573 I HN 0.089 nan 8.210 nan 0.000 0.553 574 T N 8.416 122.918 114.554 -0.086 0.000 2.853 574 T HA 0.124 4.504 4.350 0.051 0.000 0.298 574 T C -1.959 172.715 174.700 -0.042 0.000 0.978 574 T CA -0.881 61.193 62.100 -0.045 0.000 1.152 574 T CB -0.099 68.762 68.868 -0.011 0.000 0.914 574 T HN 0.433 nan 8.240 nan 0.000 0.539 575 P HA 0.168 nan 4.420 nan 0.000 0.267 575 P C -2.402 174.920 177.300 0.037 0.000 1.200 575 P CA -1.286 61.809 63.100 -0.008 0.000 0.772 575 P CB -0.374 31.330 31.700 0.007 0.000 0.855 576 P HA 0.214 nan 4.420 nan 0.000 0.272 576 P C -2.375 174.984 177.300 0.098 0.000 1.230 576 P CA -1.213 61.961 63.100 0.123 0.000 0.788 576 P CB -1.028 30.792 31.700 0.201 0.000 0.949 577 P HA 0.094 nan 4.420 nan 0.000 0.272 577 P C -0.412 176.941 177.300 0.088 0.000 1.240 577 P CA -0.007 63.142 63.100 0.083 0.000 0.791 577 P CB 0.047 31.796 31.700 0.082 0.000 0.978 578 D N -0.870 119.574 120.400 0.074 0.000 2.363 578 D HA 0.121 4.791 4.640 0.051 0.000 0.240 578 D C -0.474 175.880 176.300 0.090 0.000 1.236 578 D CA -0.314 53.727 54.000 0.068 0.000 0.927 578 D CB -0.138 40.696 40.800 0.056 0.000 1.150 578 D HN -0.015 nan 8.370 nan 0.000 0.458 579 V N 1.445 121.407 119.914 0.079 0.000 2.304 579 V HA 0.179 4.330 4.120 0.051 0.000 0.269 579 V C -0.117 176.078 176.094 0.168 0.000 1.036 579 V CA -0.830 61.554 62.300 0.140 0.000 0.840 579 V CB -0.713 31.126 31.823 0.027 0.000 1.036 579 V HN 0.711 nan 8.190 nan 0.000 0.466 580 N N 4.222 123.027 118.700 0.175 0.000 2.725 580 N HA -0.212 4.558 4.740 0.051 0.000 0.251 580 N C 1.165 176.728 175.510 0.090 0.000 1.031 580 N CA 1.102 54.231 53.050 0.132 0.000 0.720 580 N CB -0.940 37.655 38.487 0.180 0.000 0.930 580 N HN 1.312 nan 8.380 nan 0.000 0.543 581 G N -1.931 106.912 108.800 0.072 0.000 2.184 581 G HA2 -0.332 3.658 3.960 0.051 0.000 0.264 581 G HA3 -0.332 3.658 3.960 0.051 0.000 0.264 581 G C 0.092 175.021 174.900 0.048 0.000 0.975 581 G CA 0.415 45.545 45.100 0.051 0.000 0.642 581 G HN 0.421 nan 8.290 nan 0.000 0.536 582 L N -0.119 121.138 121.223 0.056 0.000 2.305 582 L HA 0.467 4.838 4.340 0.051 0.000 0.281 582 L C 1.284 178.170 176.870 0.027 0.000 1.085 582 L CA -0.276 54.588 54.840 0.040 0.000 0.813 582 L CB 1.371 43.457 42.059 0.044 0.000 1.157 582 L HN 0.049 nan 8.230 nan 0.000 0.436 583 K N 3.082 123.492 120.400 0.016 0.000 2.414 583 K HA 0.168 4.518 4.320 0.051 0.000 0.204 583 K C -0.717 175.878 176.600 -0.008 0.000 1.026 583 K CA -0.066 56.228 56.287 0.012 0.000 1.108 583 K CB 0.478 32.986 32.500 0.014 0.000 0.855 583 K HN 0.556 nan 8.250 nan 0.000 0.517 584 K N -0.684 119.706 120.400 -0.016 0.000 2.818 584 K HA 0.180 4.531 4.320 0.051 0.000 0.287 584 K C -2.267 174.317 176.600 -0.027 0.000 1.061 584 K CA -0.961 55.300 56.287 -0.043 0.000 0.858 584 K CB 1.075 33.533 32.500 -0.070 0.000 1.456 584 K HN -0.204 nan 8.250 nan 0.000 0.364 585 D N 2.191 122.569 120.400 -0.037 0.000 2.365 585 D HA 0.295 4.966 4.640 0.051 0.000 0.235 585 D C -2.197 174.089 176.300 -0.023 0.000 1.368 585 D CA -1.904 52.094 54.000 -0.005 0.000 1.001 585 D CB 2.182 43.001 40.800 0.032 0.000 1.364 585 D HN 0.279 nan 8.370 nan 0.000 0.577 586 P HA -0.101 nan 4.420 nan 0.000 0.226 586 P C 1.190 178.486 177.300 -0.007 0.000 1.146 586 P CA 0.847 63.922 63.100 -0.041 0.000 0.773 586 P CB 0.208 31.895 31.700 -0.023 0.000 0.772 587 S N -1.586 114.143 115.700 0.048 0.000 2.561 587 S HA 0.024 4.525 4.470 0.051 0.000 0.225 587 S C 1.601 176.294 174.600 0.155 0.000 0.977 587 S CA 0.453 58.719 58.200 0.111 0.000 0.926 587 S CB -1.179 62.112 63.200 0.152 0.000 0.769 587 S HN 0.140 nan 8.310 nan 0.000 0.533 588 L N 1.188 122.465 121.223 0.090 0.000 2.509 588 L HA 0.227 4.597 4.340 0.051 0.000 0.222 588 L C 1.435 178.223 176.870 -0.137 0.000 1.123 588 L CA 0.069 54.963 54.840 0.090 0.000 0.856 588 L CB -0.243 41.865 42.059 0.081 0.000 0.985 588 L HN 0.311 nan 8.230 nan 0.000 0.456 589 S N -0.394 115.199 115.700 -0.179 0.000 2.586 589 S HA 0.301 4.801 4.470 0.051 0.000 0.274 589 S C 1.051 175.542 174.600 -0.181 0.000 1.281 589 S CA -0.602 57.433 58.200 -0.274 0.000 1.035 589 S CB 1.364 64.398 63.200 -0.276 0.000 0.962 589 S HN 0.155 nan 8.310 nan 0.000 0.512 590 L N 2.939 123.975 121.223 -0.311 0.000 2.131 590 L HA 0.051 4.422 4.340 0.051 0.000 0.206 590 L C 0.948 177.576 176.870 -0.403 0.000 1.087 590 L CA 1.035 55.609 54.840 -0.444 0.000 0.767 590 L CB -0.249 41.267 42.059 -0.905 0.000 0.917 590 L HN 0.757 nan 8.230 nan 0.000 0.441 591 Y N -1.941 118.360 120.300 0.001 0.000 2.430 591 Y HA 0.324 4.904 4.550 0.051 0.000 0.248 591 Y C 2.192 178.106 175.900 0.022 0.000 1.108 591 Y CA -0.210 57.935 58.100 0.075 0.000 1.264 591 Y CB -0.572 37.967 38.460 0.132 0.000 1.172 591 Y HN -0.024 nan 8.280 nan 0.000 0.520 592 A N 0.722 123.556 122.820 0.023 0.000 1.917 592 A HA -0.110 4.240 4.320 0.051 0.000 0.219 592 A C 1.012 178.625 177.584 0.048 0.000 1.182 592 A CA 1.252 53.278 52.037 -0.019 0.000 0.633 592 A CB -0.765 18.171 19.000 -0.107 0.000 0.819 592 A HN 0.310 nan 8.150 nan 0.000 0.448 593 I N 1.562 122.171 120.570 0.064 0.000 2.388 593 I HA 0.215 4.415 4.170 0.051 0.000 0.281 593 I C -2.394 173.797 176.117 0.122 0.000 1.046 593 I CA -2.243 59.105 61.300 0.081 0.000 1.187 593 I CB 1.391 39.427 38.000 0.060 0.000 1.351 593 I HN 0.059 nan 8.210 nan 0.000 0.472 594 P HA -0.043 nan 4.420 nan 0.000 0.260 594 P C -0.447 176.937 177.300 0.140 0.000 1.172 594 P CA 0.380 63.585 63.100 0.175 0.000 0.760 594 P CB 0.388 32.178 31.700 0.149 0.000 0.773 595 D N 0.999 121.492 120.400 0.155 0.000 2.712 595 D HA 0.132 4.802 4.640 0.051 0.000 0.300 595 D C 0.558 176.922 176.300 0.107 0.000 1.521 595 D CA -0.514 53.555 54.000 0.115 0.000 0.790 595 D CB -0.464 40.400 40.800 0.107 0.000 1.155 595 D HN 0.282 nan 8.370 nan 0.000 0.456 596 G N 0.428 109.301 108.800 0.123 0.000 2.343 596 G HA2 0.355 4.346 3.960 0.051 0.000 0.254 596 G HA3 0.355 4.346 3.960 0.051 0.000 0.254 596 G C -0.663 174.274 174.900 0.061 0.000 1.277 596 G CA -0.142 45.020 45.100 0.102 0.000 0.909 596 G HN 0.192 nan 8.290 nan 0.000 0.502 597 D N 1.319 121.744 120.400 0.041 0.000 2.502 597 D HA 0.228 4.899 4.640 0.051 0.000 0.249 597 D C 1.038 177.343 176.300 0.007 0.000 1.092 597 D CA -0.737 53.274 54.000 0.018 0.000 0.839 597 D CB 2.032 42.838 40.800 0.010 0.000 1.264 597 D HN 0.284 nan 8.370 nan 0.000 0.511 598 V N 1.497 121.408 119.914 -0.004 0.000 3.506 598 V HA 0.233 4.383 4.120 0.051 0.000 0.263 598 V C 0.992 177.058 176.094 -0.047 0.000 1.203 598 V CA 0.004 62.295 62.300 -0.016 0.000 1.133 598 V CB -0.953 30.857 31.823 -0.021 0.000 0.802 598 V HN 0.405 nan 8.190 nan 0.000 0.459 599 K N 1.758 122.126 120.400 -0.054 0.000 2.472 599 K HA 0.395 4.745 4.320 0.051 0.000 0.280 599 K C 1.218 177.768 176.600 -0.084 0.000 1.028 599 K CA 1.337 57.572 56.287 -0.087 0.000 1.045 599 K CB -0.005 32.452 32.500 -0.070 0.000 0.902 599 K HN 0.751 nan 8.250 nan 0.000 0.478 600 G N 3.094 111.809 108.800 -0.142 0.000 2.194 600 G HA2 -0.214 3.777 3.960 0.051 0.000 0.236 600 G HA3 -0.214 3.777 3.960 0.051 0.000 0.236 600 G C -0.060 174.852 174.900 0.019 0.000 0.987 600 G CA -0.171 44.908 45.100 -0.035 0.000 0.635 600 G HN 0.554 nan 8.290 nan 0.000 0.520 601 R N -0.052 120.431 120.500 -0.029 0.000 2.637 601 R HA 0.649 5.020 4.340 0.051 0.000 0.269 601 R C 0.271 176.602 176.300 0.052 0.000 1.089 601 R CA -0.189 55.932 56.100 0.035 0.000 1.177 601 R CB 0.815 31.133 30.300 0.030 0.000 1.091 601 R HN 0.393 nan 8.270 nan 0.000 0.540 602 V N 0.631 120.608 119.914 0.105 0.000 2.735 602 V HA 0.437 4.588 4.120 0.051 0.000 0.310 602 V C -0.192 175.961 176.094 0.100 0.000 1.061 602 V CA -0.987 61.392 62.300 0.131 0.000 0.913 602 V CB 2.230 34.157 31.823 0.173 0.000 1.005 602 V HN 0.357 nan 8.190 nan 0.000 0.428 603 V N 2.739 122.706 119.914 0.089 0.000 2.495 603 V HA 0.771 4.922 4.120 0.051 0.000 0.298 603 V C 0.484 176.629 176.094 0.084 0.000 1.031 603 V CA -0.558 61.786 62.300 0.072 0.000 0.871 603 V CB 1.748 33.597 31.823 0.045 0.000 0.988 603 V HN 1.079 nan 8.190 nan 0.000 0.432 604 A N 5.960 128.836 122.820 0.094 0.000 2.363 604 A HA 0.793 5.144 4.320 0.051 0.000 0.270 604 A C -0.480 177.106 177.584 0.003 0.000 1.121 604 A CA -0.223 51.856 52.037 0.070 0.000 0.800 604 A CB 0.122 19.194 19.000 0.120 0.000 1.052 604 A HN 0.784 nan 8.150 nan 0.000 0.493 605 I N 3.013 123.581 120.570 -0.004 0.000 2.382 605 I HA 0.178 4.379 4.170 0.051 0.000 0.285 605 I C -1.082 175.034 176.117 -0.001 0.000 1.007 605 I CA -0.615 60.685 61.300 -0.001 0.000 1.142 605 I CB 1.610 39.627 38.000 0.028 0.000 1.289 605 I HN 0.366 nan 8.210 nan 0.000 0.453 606 L N 7.591 128.795 121.223 -0.031 0.000 2.295 606 L HA 0.374 4.744 4.340 0.051 0.000 0.288 606 L C 0.127 177.086 176.870 0.149 0.000 1.079 606 L CA 0.177 55.060 54.840 0.072 0.000 0.830 606 L CB 0.238 42.184 42.059 -0.188 0.000 1.200 606 L HN 0.421 nan 8.230 nan 0.000 0.438 607 L N 3.519 124.881 121.223 0.231 0.000 2.468 607 L HA 0.369 4.740 4.340 0.051 0.000 0.254 607 L C 0.359 177.398 176.870 0.281 0.000 1.171 607 L CA -0.457 54.474 54.840 0.152 0.000 0.809 607 L CB 0.782 42.844 42.059 0.005 0.000 1.155 607 L HN 0.763 nan 8.230 nan 0.000 0.473 608 N N -2.154 116.617 118.700 0.120 0.000 3.038 608 N HA 0.257 5.028 4.740 0.051 0.000 0.307 608 N C -0.478 175.006 175.510 -0.043 0.000 1.441 608 N CA -0.721 52.452 53.050 0.204 0.000 0.772 608 N CB 0.613 39.213 38.487 0.188 0.000 1.651 608 N HN 0.526 nan 8.380 nan 0.000 0.593 609 D N -2.181 118.240 120.400 0.034 0.000 2.349 609 D HA -0.006 4.664 4.640 0.051 0.000 0.224 609 D C -0.104 176.161 176.300 -0.058 0.000 1.029 609 D CA 0.593 54.545 54.000 -0.080 0.000 0.879 609 D CB -0.049 40.779 40.800 0.047 0.000 0.906 609 D HN 0.684 nan 8.370 nan 0.000 0.528 610 E N 0.562 120.746 120.200 -0.027 0.000 3.909 610 E HA 0.212 4.593 4.350 0.051 0.000 0.236 610 E C -1.192 175.395 176.600 -0.020 0.000 1.222 610 E CA -0.541 55.844 56.400 -0.024 0.000 1.205 610 E CB 0.279 29.975 29.700 -0.006 0.000 1.249 610 E HN -0.096 nan 8.360 nan 0.000 0.411 611 V N 1.783 121.676 119.914 -0.036 0.000 2.872 611 V HA 0.086 4.237 4.120 0.051 0.000 0.307 611 V C 0.751 176.829 176.094 -0.026 0.000 1.072 611 V CA 0.160 62.444 62.300 -0.025 0.000 1.148 611 V CB 0.677 32.478 31.823 -0.036 0.000 0.954 611 V HN 0.471 nan 8.190 nan 0.000 0.490 612 R N 3.308 123.794 120.500 -0.025 0.000 2.272 612 R HA 0.174 4.545 4.340 0.051 0.000 0.334 612 R C 1.601 177.881 176.300 -0.033 0.000 1.117 612 R CA 0.729 56.810 56.100 -0.031 0.000 0.966 612 R CB 0.369 30.646 30.300 -0.038 0.000 1.049 612 R HN 0.959 nan 8.270 nan 0.000 0.477 613 S N 3.640 119.323 115.700 -0.029 0.000 2.381 613 S HA -0.331 4.170 4.470 0.051 0.000 0.230 613 S C 1.940 176.524 174.600 -0.027 0.000 1.052 613 S CA 1.505 59.689 58.200 -0.026 0.000 1.068 613 S CB -0.459 62.727 63.200 -0.023 0.000 0.918 613 S HN 0.703 nan 8.310 nan 0.000 0.448 614 A N 1.866 124.667 122.820 -0.031 0.000 1.933 614 A HA -0.102 4.249 4.320 0.051 0.000 0.218 614 A C 1.979 179.537 177.584 -0.044 0.000 1.175 614 A CA 1.799 53.816 52.037 -0.034 0.000 0.628 614 A CB -1.010 17.968 19.000 -0.037 0.000 0.814 614 A HN 0.594 nan 8.150 nan 0.000 0.444 615 D N -0.125 120.239 120.400 -0.060 0.000 2.084 615 D HA -0.119 4.552 4.640 0.051 0.000 0.194 615 D C 1.941 178.216 176.300 -0.041 0.000 0.990 615 D CA 0.849 54.799 54.000 -0.084 0.000 0.826 615 D CB -0.423 40.310 40.800 -0.111 0.000 0.971 615 D HN 0.366 nan 8.370 nan 0.000 0.453 616 L N 0.062 121.269 121.223 -0.025 0.000 2.042 616 L HA -0.199 4.171 4.340 0.051 0.000 0.210 616 L C 2.303 179.174 176.870 0.001 0.000 1.076 616 L CA 0.740 55.576 54.840 -0.006 0.000 0.749 616 L CB -0.185 41.868 42.059 -0.010 0.000 0.893 616 L HN 0.089 nan 8.230 nan 0.000 0.432 617 L N -0.204 121.015 121.223 -0.005 0.000 1.970 617 L HA -0.227 4.144 4.340 0.051 0.000 0.212 617 L C 2.759 179.633 176.870 0.007 0.000 1.071 617 L CA 2.201 57.040 54.840 -0.000 0.000 0.751 617 L CB -0.991 41.065 42.059 -0.005 0.000 0.889 617 L HN 0.243 nan 8.230 nan 0.000 0.432 618 A N -0.555 122.267 122.820 0.004 0.000 1.892 618 A HA -0.254 4.097 4.320 0.051 0.000 0.218 618 A C 2.298 179.907 177.584 0.041 0.000 1.188 618 A CA 2.313 54.360 52.037 0.016 0.000 0.631 618 A CB -0.947 18.054 19.000 0.002 0.000 0.822 618 A HN 0.450 nan 8.150 nan 0.000 0.447 619 I N -0.383 120.216 120.570 0.049 0.000 2.127 619 I HA -0.283 3.918 4.170 0.051 0.000 0.241 619 I C 2.413 178.562 176.117 0.054 0.000 1.075 619 I CA 1.410 62.758 61.300 0.080 0.000 1.334 619 I CB -0.385 37.667 38.000 0.086 0.000 1.040 619 I HN 0.300 nan 8.210 nan 0.000 0.405 620 L N 0.497 121.742 121.223 0.037 0.000 2.131 620 L HA -0.224 4.146 4.340 0.051 0.000 0.210 620 L C 2.623 179.507 176.870 0.024 0.000 1.092 620 L CA 1.331 56.188 54.840 0.030 0.000 0.759 620 L CB -0.629 41.445 42.059 0.025 0.000 0.903 620 L HN 0.297 nan 8.230 nan 0.000 0.435 621 K N 0.683 121.096 120.400 0.022 0.000 2.025 621 K HA -0.159 4.192 4.320 0.051 0.000 0.207 621 K C 2.174 178.783 176.600 0.015 0.000 1.049 621 K CA 1.338 57.635 56.287 0.016 0.000 0.933 621 K CB -0.058 32.451 32.500 0.015 0.000 0.714 621 K HN 0.220 nan 8.250 nan 0.000 0.438 622 A N 1.453 124.287 122.820 0.023 0.000 1.930 622 A HA -0.081 4.270 4.320 0.051 0.000 0.217 622 A C 2.144 179.732 177.584 0.006 0.000 1.175 622 A CA 1.151 53.200 52.037 0.019 0.000 0.627 622 A CB -0.543 18.479 19.000 0.036 0.000 0.815 622 A HN 0.319 nan 8.150 nan 0.000 0.443 623 L N -0.579 120.650 121.223 0.009 0.000 2.027 623 L HA -0.184 4.187 4.340 0.051 0.000 0.206 623 L C 2.640 179.495 176.870 -0.026 0.000 1.074 623 L CA 1.922 56.756 54.840 -0.009 0.000 0.745 623 L CB -0.483 41.578 42.059 0.005 0.000 0.898 623 L HN 0.480 nan 8.230 nan 0.000 0.433 624 K N 0.698 121.093 120.400 -0.008 0.000 2.152 624 K HA -0.192 4.159 4.320 0.051 0.000 0.206 624 K C 2.070 178.659 176.600 -0.019 0.000 1.048 624 K CA 1.337 57.618 56.287 -0.010 0.000 0.933 624 K CB -0.057 32.448 32.500 0.008 0.000 0.721 624 K HN 0.268 nan 8.250 nan 0.000 0.447 625 A N 1.182 123.994 122.820 -0.013 0.000 1.972 625 A HA -0.096 4.254 4.320 0.051 0.000 0.219 625 A C 1.693 179.262 177.584 -0.025 0.000 1.169 625 A CA 1.262 53.291 52.037 -0.014 0.000 0.635 625 A CB -0.124 18.873 19.000 -0.005 0.000 0.810 625 A HN 0.171 nan 8.150 nan 0.000 0.446 626 K N -1.585 118.793 120.400 -0.036 0.000 2.367 626 K HA 0.178 4.528 4.320 0.051 0.000 0.194 626 K C 1.024 177.577 176.600 -0.078 0.000 1.027 626 K CA 0.722 56.981 56.287 -0.047 0.000 1.075 626 K CB 0.172 32.647 32.500 -0.043 0.000 0.845 626 K HN 0.743 nan 8.250 nan 0.000 0.529 627 G N 1.517 110.256 108.800 -0.103 0.000 2.137 627 G HA2 -0.222 3.769 3.960 0.051 0.000 0.237 627 G HA3 -0.222 3.769 3.960 0.051 0.000 0.237 627 G C 0.057 174.755 174.900 -0.338 0.000 1.002 627 G CA 0.157 45.154 45.100 -0.172 0.000 0.702 627 G HN 0.096 nan 8.290 nan 0.000 0.515 628 V N 1.072 120.827 119.914 -0.265 0.000 2.465 628 V HA 0.506 4.656 4.120 0.051 0.000 0.279 628 V C 0.814 176.722 176.094 -0.310 0.000 1.045 628 V CA -0.647 61.484 62.300 -0.282 0.000 0.938 628 V CB 0.986 32.741 31.823 -0.114 0.000 0.986 628 V HN 0.448 nan 8.190 nan 0.000 0.467 629 H N 1.810 120.889 119.070 0.016 0.000 2.495 629 H HA 0.783 5.370 4.556 0.051 0.000 0.350 629 H C 0.191 175.537 175.328 0.030 0.000 1.202 629 H CA 0.012 56.072 56.048 0.020 0.000 1.322 629 H CB 1.192 30.968 29.762 0.022 0.000 1.544 629 H HN 0.847 nan 8.280 nan 0.000 0.565 630 A N 0.977 123.902 122.820 0.175 0.000 2.435 630 A HA 0.580 4.931 4.320 0.051 0.000 0.304 630 A C -1.134 176.507 177.584 0.095 0.000 1.064 630 A CA -1.022 51.079 52.037 0.107 0.000 0.727 630 A CB 1.168 20.213 19.000 0.074 0.000 1.284 630 A HN 0.803 nan 8.150 nan 0.000 0.415 631 K N 2.111 122.559 120.400 0.080 0.000 2.507 631 K HA 0.664 5.014 4.320 0.051 0.000 0.252 631 K C -1.678 174.951 176.600 0.049 0.000 0.943 631 K CA -0.493 55.834 56.287 0.066 0.000 0.808 631 K CB 1.279 33.827 32.500 0.081 0.000 1.142 631 K HN 0.498 nan 8.250 nan 0.000 0.426 632 L N 3.976 125.218 121.223 0.032 0.000 2.290 632 L HA 0.372 4.743 4.340 0.051 0.000 0.284 632 L C -0.619 176.257 176.870 0.011 0.000 1.078 632 L CA -1.042 53.810 54.840 0.020 0.000 0.815 632 L CB 0.386 42.448 42.059 0.006 0.000 1.162 632 L HN 0.482 nan 8.230 nan 0.000 0.435 633 L N 3.939 125.171 121.223 0.016 0.000 2.323 633 L HA 0.649 5.019 4.340 0.051 0.000 0.265 633 L C -0.578 176.217 176.870 -0.125 0.000 1.012 633 L CA -0.473 54.334 54.840 -0.056 0.000 0.820 633 L CB 1.749 43.809 42.059 0.000 0.000 1.334 633 L HN 0.393 nan 8.230 nan 0.000 0.427 634 Y N -1.173 118.684 120.300 -0.738 0.000 2.905 634 Y HA 0.275 4.856 4.550 0.051 0.000 0.322 634 Y C 0.841 176.024 175.900 -1.195 0.000 1.455 634 Y CA -0.371 57.195 58.100 -0.890 0.000 1.083 634 Y CB 1.208 39.484 38.460 -0.306 0.000 1.473 634 Y HN 0.545 nan 8.280 nan 0.000 0.449 635 S N 0.563 115.446 115.700 -1.362 0.000 2.527 635 S HA 0.197 4.697 4.470 0.051 0.000 0.222 635 S C 0.181 174.535 174.600 -0.410 0.000 0.985 635 S CA 0.565 58.315 58.200 -0.750 0.000 0.921 635 S CB -0.049 62.816 63.200 -0.558 0.000 0.772 635 S HN 0.598 nan 8.310 nan 0.000 0.529 636 R N -1.266 119.053 120.500 -0.301 0.000 2.846 636 R HA 0.659 5.029 4.340 0.051 0.000 0.263 636 R C -0.650 175.641 176.300 -0.016 0.000 1.080 636 R CA -1.082 54.959 56.100 -0.097 0.000 0.961 636 R CB 0.444 30.730 30.300 -0.024 0.000 1.231 636 R HN -0.119 nan 8.270 nan 0.000 0.465 637 M N -0.087 119.511 119.600 -0.004 0.000 2.116 637 M HA 0.504 5.014 4.480 0.051 0.000 0.235 637 M C 1.005 177.322 176.300 0.028 0.000 1.193 637 M CA 0.911 56.214 55.300 0.006 0.000 0.959 637 M CB 0.388 32.986 32.600 -0.004 0.000 1.313 637 M HN 1.034 nan 8.290 nan 0.000 0.530 638 G N 0.714 109.522 108.800 0.013 0.000 2.578 638 G HA2 -0.121 3.870 3.960 0.051 0.000 0.232 638 G HA3 -0.121 3.870 3.960 0.051 0.000 0.232 638 G C -0.961 173.934 174.900 -0.008 0.000 1.176 638 G CA 0.025 45.130 45.100 0.007 0.000 0.968 638 G HN 0.887 nan 8.290 nan 0.000 0.583 639 E N -1.195 118.993 120.200 -0.021 0.000 2.383 639 E HA 0.679 5.060 4.350 0.051 0.000 0.275 639 E C -0.486 176.053 176.600 -0.102 0.000 0.918 639 E CA -0.735 55.632 56.400 -0.056 0.000 0.764 639 E CB 2.623 32.298 29.700 -0.041 0.000 1.252 639 E HN 1.621 nan 8.360 nan 0.000 0.449 640 V N -1.663 118.155 119.914 -0.161 0.000 2.960 640 V HA 0.737 4.887 4.120 0.051 0.000 0.315 640 V C -0.488 175.525 176.094 -0.135 0.000 1.087 640 V CA -0.659 61.512 62.300 -0.214 0.000 0.982 640 V CB 1.806 33.375 31.823 -0.423 0.000 1.039 640 V HN 0.752 nan 8.190 nan 0.000 0.437 641 T N 2.673 117.161 114.554 -0.111 0.000 2.779 641 T HA 0.767 5.148 4.350 0.051 0.000 0.280 641 T C 0.410 175.069 174.700 -0.067 0.000 0.987 641 T CA 0.363 62.420 62.100 -0.072 0.000 0.966 641 T CB 1.298 70.137 68.868 -0.049 0.000 0.933 641 T HN 1.350 nan 8.240 nan 0.000 0.442 642 A N 2.618 125.405 122.820 -0.056 0.000 2.281 642 A HA 0.277 4.628 4.320 0.051 0.000 0.271 642 A C 1.610 179.173 177.584 -0.035 0.000 1.196 642 A CA 0.025 52.035 52.037 -0.046 0.000 0.807 642 A CB -0.047 18.930 19.000 -0.038 0.000 1.138 642 A HN 0.894 nan 8.150 nan 0.000 0.506 643 D N -0.291 120.092 120.400 -0.029 0.000 2.117 643 D HA -0.173 4.498 4.640 0.051 0.000 0.197 643 D C 0.656 176.944 176.300 -0.021 0.000 0.987 643 D CA 1.563 55.549 54.000 -0.023 0.000 0.829 643 D CB -0.587 40.200 40.800 -0.022 0.000 0.961 643 D HN 0.584 nan 8.370 nan 0.000 0.460 644 D N -1.168 119.220 120.400 -0.021 0.000 2.325 644 D HA 0.211 4.882 4.640 0.051 0.000 0.234 644 D C 1.541 177.831 176.300 -0.018 0.000 1.122 644 D CA 0.335 54.324 54.000 -0.018 0.000 0.850 644 D CB -0.219 40.572 40.800 -0.017 0.000 0.921 644 D HN 0.431 nan 8.370 nan 0.000 0.513 645 G N -0.185 108.603 108.800 -0.021 0.000 2.157 645 G HA2 -0.274 3.717 3.960 0.051 0.000 0.248 645 G HA3 -0.274 3.717 3.960 0.051 0.000 0.248 645 G C 0.371 175.257 174.900 -0.023 0.000 0.979 645 G CA 0.246 45.334 45.100 -0.021 0.000 0.650 645 G HN 0.441 nan 8.290 nan 0.000 0.529 646 T N 0.980 115.520 114.554 -0.024 0.000 2.888 646 T HA 0.397 4.778 4.350 0.051 0.000 0.301 646 T C 0.682 175.363 174.700 -0.032 0.000 1.001 646 T CA 0.006 62.091 62.100 -0.025 0.000 1.147 646 T CB 2.185 71.038 68.868 -0.024 0.000 0.931 646 T HN 0.390 nan 8.240 nan 0.000 0.541 647 V N 5.306 125.203 119.914 -0.029 0.000 2.432 647 V HA 0.203 4.354 4.120 0.051 0.000 0.271 647 V C -0.180 175.892 176.094 -0.038 0.000 1.046 647 V CA -0.609 61.670 62.300 -0.035 0.000 0.945 647 V CB 0.777 32.583 31.823 -0.027 0.000 0.992 647 V HN 0.553 nan 8.190 nan 0.000 0.471 648 L N 9.499 130.689 121.223 -0.054 0.000 2.280 648 L HA 0.509 4.879 4.340 0.051 0.000 0.287 648 L C -2.144 174.691 176.870 -0.058 0.000 1.023 648 L CA -2.252 52.555 54.840 -0.056 0.000 0.819 648 L CB 1.574 43.587 42.059 -0.076 0.000 1.212 648 L HN 0.417 nan 8.230 nan 0.000 0.420 649 P HA 0.248 nan 4.420 nan 0.000 0.282 649 P C -0.392 176.892 177.300 -0.027 0.000 1.262 649 P CA -0.205 62.879 63.100 -0.028 0.000 0.773 649 P CB 0.842 32.533 31.700 -0.014 0.000 0.879 650 I N 2.765 123.320 120.570 -0.025 0.000 2.371 650 I HA 0.187 4.387 4.170 0.051 0.000 0.290 650 I C 1.615 177.728 176.117 -0.008 0.000 1.028 650 I CA -0.353 60.936 61.300 -0.017 0.000 1.345 650 I CB 1.314 39.312 38.000 -0.004 0.000 1.407 650 I HN 0.360 nan 8.210 nan 0.000 0.501 651 A N 5.350 128.168 122.820 -0.003 0.000 1.903 651 A HA 0.555 4.905 4.320 0.051 0.000 0.213 651 A C 1.005 178.592 177.584 0.005 0.000 1.185 651 A CA 1.232 53.272 52.037 0.006 0.000 0.628 651 A CB 0.041 19.052 19.000 0.019 0.000 0.830 651 A HN 0.804 nan 8.150 nan 0.000 0.446 652 A N -2.059 120.758 122.820 -0.005 0.000 2.564 652 A HA 0.591 4.942 4.320 0.051 0.000 0.291 652 A C -0.033 177.512 177.584 -0.066 0.000 1.102 652 A CA 0.121 52.152 52.037 -0.010 0.000 0.660 652 A CB -0.161 18.857 19.000 0.030 0.000 1.283 652 A HN 0.741 nan 8.150 nan 0.000 0.430 653 T N -1.874 112.636 114.554 -0.074 0.000 2.862 653 T HA 0.573 4.953 4.350 0.051 0.000 0.276 653 T C 0.835 175.484 174.700 -0.085 0.000 0.974 653 T CA -0.026 61.958 62.100 -0.193 0.000 0.966 653 T CB 0.146 68.932 68.868 -0.136 0.000 1.072 653 T HN 0.455 nan 8.240 nan 0.000 0.538 654 F N 0.275 120.264 119.950 0.065 0.000 2.171 654 F HA 0.054 4.612 4.527 0.051 0.000 0.300 654 F C 2.832 178.770 175.800 0.231 0.000 1.090 654 F CA 0.842 58.946 58.000 0.173 0.000 1.293 654 F CB -0.450 38.630 39.000 0.133 0.000 1.013 654 F HN 0.690 nan 8.300 nan 0.000 0.486 655 A N 0.016 122.995 122.820 0.266 0.000 2.081 655 A HA 0.196 4.547 4.320 0.051 0.000 0.214 655 A C 2.371 180.016 177.584 0.102 0.000 1.158 655 A CA 0.960 53.094 52.037 0.161 0.000 0.724 655 A CB -1.157 17.901 19.000 0.096 0.000 0.826 655 A HN 0.356 nan 8.150 nan 0.000 0.463 656 G N -0.542 108.310 108.800 0.086 0.000 2.421 656 G HA2 0.283 4.273 3.960 0.051 0.000 0.217 656 G HA3 0.283 4.273 3.960 0.051 0.000 0.217 656 G C 0.618 175.565 174.900 0.077 0.000 1.143 656 G CA 1.013 46.146 45.100 0.056 0.000 0.784 656 G HN 1.102 nan 8.290 nan 0.000 0.541 657 A N 0.845 123.746 122.820 0.134 0.000 2.984 657 A HA 0.670 5.021 4.320 0.051 0.000 0.320 657 A C -2.652 175.066 177.584 0.223 0.000 1.142 657 A CA -1.103 51.024 52.037 0.150 0.000 0.772 657 A CB 1.392 20.482 19.000 0.151 0.000 1.195 657 A HN 0.099 nan 8.150 nan 0.000 0.459 658 P HA 0.054 nan 4.420 nan 0.000 0.271 658 P C 1.281 178.405 177.300 -0.293 0.000 1.244 658 P CA 0.370 63.381 63.100 -0.149 0.000 0.793 658 P CB 0.681 32.303 31.700 -0.130 0.000 0.984 659 S N -0.134 115.095 115.700 -0.786 0.000 2.419 659 S HA -0.155 4.345 4.470 0.051 0.000 0.233 659 S C 1.895 176.384 174.600 -0.185 0.000 1.016 659 S CA 0.881 58.794 58.200 -0.479 0.000 0.974 659 S CB -1.150 61.696 63.200 -0.590 0.000 0.786 659 S HN 0.169 nan 8.310 nan 0.000 0.492 660 L N 2.811 123.918 121.223 -0.194 0.000 2.064 660 L HA -0.131 4.239 4.340 0.051 0.000 0.216 660 L C 2.895 179.605 176.870 -0.266 0.000 1.077 660 L CA 2.336 57.049 54.840 -0.211 0.000 0.766 660 L CB -1.851 40.068 42.059 -0.232 0.000 0.890 660 L HN 0.769 nan 8.230 nan 0.000 0.435 661 T N -4.016 110.447 114.554 -0.152 0.000 3.129 661 T HA 0.212 4.593 4.350 0.051 0.000 0.251 661 T C 0.441 175.230 174.700 0.148 0.000 1.117 661 T CA 0.396 62.490 62.100 -0.010 0.000 1.034 661 T CB -0.582 68.364 68.868 0.130 0.000 0.968 661 T HN 0.095 nan 8.240 nan 0.000 0.526 662 V N -2.587 117.385 119.914 0.096 0.000 3.113 662 V HA 0.574 4.725 4.120 0.051 0.000 0.316 662 V C -0.015 176.135 176.094 0.094 0.000 1.125 662 V CA -0.980 61.401 62.300 0.135 0.000 1.026 662 V CB 2.057 33.976 31.823 0.160 0.000 1.080 662 V HN -0.016 nan 8.190 nan 0.000 0.444 663 D N 0.771 121.227 120.400 0.093 0.000 2.366 663 D HA 0.482 5.153 4.640 0.051 0.000 0.205 663 D C 0.540 176.841 176.300 0.001 0.000 1.022 663 D CA 1.459 55.492 54.000 0.056 0.000 0.868 663 D CB 1.492 42.342 40.800 0.083 0.000 0.953 663 D HN 0.951 nan 8.370 nan 0.000 0.514 664 A N 0.121 122.954 122.820 0.021 0.000 2.601 664 A HA 0.545 4.895 4.320 0.051 0.000 0.291 664 A C -1.533 176.072 177.584 0.034 0.000 1.075 664 A CA -0.531 51.502 52.037 -0.006 0.000 0.671 664 A CB 1.621 20.601 19.000 -0.033 0.000 1.277 664 A HN -0.108 nan 8.150 nan 0.000 0.417 665 V N 1.294 121.218 119.914 0.017 0.000 2.531 665 V HA 0.545 4.695 4.120 0.051 0.000 0.301 665 V C -0.717 175.373 176.094 -0.006 0.000 1.034 665 V CA -0.185 62.129 62.300 0.025 0.000 0.865 665 V CB 1.481 33.334 31.823 0.051 0.000 0.995 665 V HN 0.680 nan 8.190 nan 0.000 0.424 666 I N 4.573 125.144 120.570 0.002 0.000 2.436 666 I HA 0.497 4.697 4.170 0.051 0.000 0.289 666 I C -0.753 175.378 176.117 0.025 0.000 1.010 666 I CA -0.877 60.454 61.300 0.050 0.000 1.098 666 I CB 2.221 40.285 38.000 0.107 0.000 1.266 666 I HN 0.270 nan 8.210 nan 0.000 0.434 667 V N 8.043 127.985 119.914 0.046 0.000 2.293 667 V HA 0.309 4.460 4.120 0.051 0.000 0.275 667 V C -2.135 174.004 176.094 0.075 0.000 1.021 667 V CA -1.683 60.626 62.300 0.015 0.000 0.815 667 V CB 0.993 32.783 31.823 -0.055 0.000 1.025 667 V HN 0.543 nan 8.190 nan 0.000 0.448 668 P HA 0.180 nan 4.420 nan 0.000 0.274 668 P C 0.385 177.697 177.300 0.020 0.000 1.237 668 P CA -0.257 62.851 63.100 0.014 0.000 0.793 668 P CB 0.830 32.532 31.700 0.003 0.000 0.977 669 C N 1.082 120.370 119.300 -0.021 0.000 2.832 669 C HA 0.597 5.088 4.460 0.051 0.000 0.299 669 C C 1.415 176.408 174.990 0.006 0.000 1.440 669 C CA 1.793 60.807 59.018 -0.007 0.000 2.191 669 C CB -1.138 26.576 27.740 -0.043 0.000 2.243 669 C HN 0.939 nan 8.230 nan 0.000 0.720 670 G N 0.643 109.446 108.800 0.005 0.000 2.225 670 G HA2 -0.070 3.921 3.960 0.051 0.000 0.203 670 G HA3 -0.070 3.921 3.960 0.051 0.000 0.203 670 G C -0.581 174.329 174.900 0.018 0.000 1.335 670 G CA 0.065 45.169 45.100 0.008 0.000 1.183 670 G HN 1.029 nan 8.290 nan 0.000 0.488 671 N N 1.384 120.102 118.700 0.030 0.000 2.807 671 N HA 0.193 4.964 4.740 0.051 0.000 0.259 671 N C 1.297 176.842 175.510 0.059 0.000 1.149 671 N CA -0.658 52.413 53.050 0.035 0.000 1.042 671 N CB -0.123 38.386 38.487 0.038 0.000 1.367 671 N HN 0.367 nan 8.380 nan 0.000 0.516 672 I N 2.035 122.629 120.570 0.040 0.000 2.700 672 I HA -0.176 4.025 4.170 0.051 0.000 0.261 672 I C 2.267 178.383 176.117 -0.002 0.000 1.219 672 I CA 0.628 61.952 61.300 0.041 0.000 1.463 672 I CB -1.282 36.709 38.000 -0.015 0.000 1.092 672 I HN 0.496 nan 8.210 nan 0.000 0.452 673 A N 0.636 123.453 122.820 -0.004 0.000 2.015 673 A HA -0.240 4.111 4.320 0.051 0.000 0.219 673 A C 2.082 179.686 177.584 0.033 0.000 1.163 673 A CA 1.809 53.840 52.037 -0.010 0.000 0.646 673 A CB -0.520 18.475 19.000 -0.008 0.000 0.806 673 A HN 0.425 nan 8.150 nan 0.000 0.448 674 D N 0.492 120.940 120.400 0.080 0.000 2.144 674 D HA -0.125 4.545 4.640 0.051 0.000 0.200 674 D C 1.518 177.906 176.300 0.146 0.000 0.978 674 D CA 1.622 55.696 54.000 0.124 0.000 0.833 674 D CB -0.218 40.690 40.800 0.180 0.000 0.961 674 D HN 0.613 nan 8.370 nan 0.000 0.470 675 I N -3.927 116.753 120.570 0.182 0.000 4.082 675 I HA 0.507 4.708 4.170 0.051 0.000 0.337 675 I C 1.822 178.081 176.117 0.238 0.000 1.352 675 I CA -0.120 61.314 61.300 0.223 0.000 1.097 675 I CB 0.205 38.377 38.000 0.288 0.000 1.048 675 I HN -0.072 nan 8.210 nan 0.000 0.393 676 A N 1.689 124.546 122.820 0.062 0.000 1.908 676 A HA -0.169 4.181 4.320 0.051 0.000 0.218 676 A C 1.581 179.136 177.584 -0.049 0.000 1.181 676 A CA 1.987 53.921 52.037 -0.172 0.000 0.627 676 A CB -0.488 18.365 19.000 -0.246 0.000 0.818 676 A HN 0.566 nan 8.150 nan 0.000 0.445 677 D N -0.412 119.993 120.400 0.008 0.000 2.525 677 D HA 0.035 4.706 4.640 0.051 0.000 0.229 677 D C -0.295 176.034 176.300 0.049 0.000 1.202 677 D CA -0.174 53.838 54.000 0.019 0.000 0.828 677 D CB -0.143 40.657 40.800 0.000 0.000 1.008 677 D HN 0.313 nan 8.370 nan 0.000 0.493 678 N N 1.042 119.790 118.700 0.080 0.000 2.406 678 N HA 0.057 4.828 4.740 0.051 0.000 0.251 678 N C 1.374 176.922 175.510 0.064 0.000 1.069 678 N CA -0.152 52.942 53.050 0.073 0.000 0.947 678 N CB 1.497 40.038 38.487 0.090 0.000 1.111 678 N HN 0.012 nan 8.380 nan 0.000 0.497 679 G N 3.355 112.191 108.800 0.059 0.000 2.513 679 G HA2 -0.298 3.693 3.960 0.051 0.000 0.219 679 G HA3 -0.298 3.693 3.960 0.051 0.000 0.219 679 G C 0.981 175.933 174.900 0.087 0.000 1.160 679 G CA 0.767 45.905 45.100 0.063 0.000 0.767 679 G HN 0.642 nan 8.290 nan 0.000 0.571 680 D N 1.059 121.516 120.400 0.095 0.000 2.117 680 D HA -0.077 4.594 4.640 0.051 0.000 0.197 680 D C 2.865 179.173 176.300 0.013 0.000 0.987 680 D CA 1.309 55.398 54.000 0.149 0.000 0.829 680 D CB -0.476 40.481 40.800 0.262 0.000 0.961 680 D HN 0.340 nan 8.370 nan 0.000 0.460 681 A N 1.660 124.326 122.820 -0.257 0.000 1.858 681 A HA -0.204 4.146 4.320 0.051 0.000 0.216 681 A C 2.041 179.440 177.584 -0.308 0.000 1.190 681 A CA 1.373 53.018 52.037 -0.653 0.000 0.617 681 A CB -0.561 18.015 19.000 -0.707 0.000 0.827 681 A HN 0.145 nan 8.150 nan 0.000 0.443 682 N N -1.617 117.044 118.700 -0.065 0.000 2.166 682 N HA -0.186 4.585 4.740 0.051 0.000 0.186 682 N C 1.672 177.184 175.510 0.003 0.000 1.019 682 N CA 1.757 54.819 53.050 0.019 0.000 0.856 682 N CB -0.458 38.105 38.487 0.126 0.000 0.993 682 N HN 0.706 nan 8.380 nan 0.000 0.426 683 Y N 0.535 120.806 120.300 -0.047 0.000 2.224 683 Y HA -0.272 4.308 4.550 0.051 0.000 0.289 683 Y C 2.400 178.258 175.900 -0.069 0.000 1.146 683 Y CA 1.229 59.297 58.100 -0.053 0.000 1.182 683 Y CB -0.368 38.066 38.460 -0.043 0.000 0.983 683 Y HN -0.007 nan 8.280 nan 0.000 0.524 684 Y N -0.038 120.149 120.300 -0.190 0.000 2.069 684 Y HA -0.360 4.220 4.550 0.051 0.000 0.278 684 Y C 2.149 177.863 175.900 -0.309 0.000 1.175 684 Y CA 1.997 59.955 58.100 -0.237 0.000 1.134 684 Y CB -0.580 37.734 38.460 -0.244 0.000 0.965 684 Y HN 0.122 nan 8.280 nan 0.000 0.498 685 L N -0.531 120.643 121.223 -0.082 0.000 2.056 685 L HA -0.250 4.120 4.340 0.051 0.000 0.207 685 L C 2.375 179.139 176.870 -0.176 0.000 1.078 685 L CA 1.756 56.523 54.840 -0.123 0.000 0.749 685 L CB -1.459 40.491 42.059 -0.182 0.000 0.901 685 L HN 0.393 nan 8.230 nan 0.000 0.433 686 M N -0.862 118.580 119.600 -0.264 0.000 2.080 686 M HA -0.246 4.265 4.480 0.051 0.000 0.260 686 M C 2.203 178.261 176.300 -0.402 0.000 1.068 686 M CA 1.717 56.847 55.300 -0.283 0.000 1.109 686 M CB -0.425 32.011 32.600 -0.273 0.000 1.342 686 M HN 0.259 nan 8.290 nan 0.000 0.405 687 E N 0.506 120.272 120.200 -0.724 0.000 2.051 687 E HA -0.197 4.184 4.350 0.051 0.000 0.192 687 E C 1.995 178.262 176.600 -0.555 0.000 0.991 687 E CA 1.367 57.315 56.400 -0.754 0.000 0.799 687 E CB -0.009 29.194 29.700 -0.828 0.000 0.748 687 E HN 0.469 nan 8.360 nan 0.000 0.449 688 A N 0.306 122.916 122.820 -0.351 0.000 1.908 688 A HA -0.222 4.129 4.320 0.051 0.000 0.218 688 A C 2.064 179.568 177.584 -0.134 0.000 1.181 688 A CA 1.607 53.534 52.037 -0.183 0.000 0.627 688 A CB -0.985 17.965 19.000 -0.083 0.000 0.818 688 A HN 0.588 nan 8.150 nan 0.000 0.445 689 Y N 0.629 120.787 120.300 -0.236 0.000 2.145 689 Y HA -0.218 4.362 4.550 0.051 0.000 0.286 689 Y C 2.421 178.206 175.900 -0.192 0.000 1.145 689 Y CA 2.420 60.407 58.100 -0.189 0.000 1.148 689 Y CB -0.199 38.165 38.460 -0.159 0.000 0.981 689 Y HN 0.329 nan 8.280 nan 0.000 0.507 690 K N -0.572 119.735 120.400 -0.155 0.000 2.103 690 K HA -0.231 4.119 4.320 0.051 0.000 0.207 690 K C 1.088 177.574 176.600 -0.191 0.000 1.048 690 K CA 2.053 58.211 56.287 -0.215 0.000 0.930 690 K CB -0.520 31.823 32.500 -0.263 0.000 0.716 690 K HN 0.591 nan 8.250 nan 0.000 0.444 691 H N 0.485 119.445 119.070 -0.182 0.000 2.536 691 H HA 0.174 4.761 4.556 0.051 0.000 0.276 691 H C -0.049 175.129 175.328 -0.251 0.000 1.019 691 H CA 0.149 56.083 56.048 -0.189 0.000 1.159 691 H CB 0.057 29.706 29.762 -0.188 0.000 1.373 691 H HN 0.131 nan 8.280 nan 0.000 0.584 692 L N 0.379 121.470 121.223 -0.220 0.000 3.898 692 L HA -0.277 4.094 4.340 0.051 0.000 0.407 692 L C -0.421 176.194 176.870 -0.424 0.000 1.207 692 L CA 0.571 55.184 54.840 -0.378 0.000 0.931 692 L CB -1.589 40.229 42.059 -0.401 0.000 2.014 692 L HN 0.329 nan 8.230 nan 0.000 0.858 693 K N 0.884 121.106 120.400 -0.296 0.000 2.143 693 K HA 0.472 4.822 4.320 0.051 0.000 0.272 693 K C -2.118 174.351 176.600 -0.217 0.000 1.001 693 K CA -1.862 54.270 56.287 -0.259 0.000 0.915 693 K CB 0.652 33.060 32.500 -0.154 0.000 1.047 693 K HN -0.195 nan 8.250 nan 0.000 0.458 694 P HA 0.007 nan 4.420 nan 0.000 0.262 694 P C -0.705 176.530 177.300 -0.109 0.000 1.182 694 P CA 0.519 63.518 63.100 -0.168 0.000 0.761 694 P CB 0.355 31.955 31.700 -0.166 0.000 0.795 695 I N 1.938 122.459 120.570 -0.083 0.000 2.498 695 I HA 0.599 4.800 4.170 0.051 0.000 0.290 695 I C -0.230 175.846 176.117 -0.067 0.000 1.032 695 I CA -0.893 60.379 61.300 -0.047 0.000 1.073 695 I CB 2.170 40.172 38.000 0.004 0.000 1.251 695 I HN 0.271 nan 8.210 nan 0.000 0.426 696 A N 7.777 130.561 122.820 -0.060 0.000 2.343 696 A HA 0.871 5.222 4.320 0.051 0.000 0.308 696 A C -1.095 176.587 177.584 0.164 0.000 1.092 696 A CA -0.442 51.548 52.037 -0.078 0.000 0.751 696 A CB 1.061 19.851 19.000 -0.351 0.000 1.203 696 A HN 0.666 nan 8.150 nan 0.000 0.452 697 L N 1.982 123.363 121.223 0.263 0.000 2.362 697 L HA 0.778 5.149 4.340 0.051 0.000 0.275 697 L C 0.186 177.248 176.870 0.319 0.000 0.998 697 L CA -0.622 54.378 54.840 0.268 0.000 0.820 697 L CB 2.090 44.253 42.059 0.172 0.000 1.270 697 L HN 0.800 nan 8.230 nan 0.000 0.415 698 A N 1.984 124.882 122.820 0.131 0.000 2.342 698 A HA 0.846 5.197 4.320 0.051 0.000 0.323 698 A C 0.503 178.063 177.584 -0.041 0.000 1.125 698 A CA 0.225 52.212 52.037 -0.085 0.000 0.785 698 A CB 1.406 20.162 19.000 -0.407 0.000 1.221 698 A HN 0.984 nan 8.150 nan 0.000 0.463 699 G N 1.912 110.680 108.800 -0.053 0.000 2.651 699 G HA2 -0.369 3.621 3.960 0.051 0.000 0.315 699 G HA3 -0.369 3.621 3.960 0.051 0.000 0.315 699 G C 0.630 175.526 174.900 -0.005 0.000 1.258 699 G CA 1.083 46.163 45.100 -0.033 0.000 1.002 699 G HN 0.729 nan 8.290 nan 0.000 0.551 700 D N 1.224 121.619 120.400 -0.008 0.000 2.263 700 D HA 0.164 4.835 4.640 0.051 0.000 0.208 700 D C 2.680 178.981 176.300 0.003 0.000 0.971 700 D CA 1.804 55.796 54.000 -0.014 0.000 0.867 700 D CB -0.708 40.079 40.800 -0.022 0.000 0.929 700 D HN 0.800 nan 8.370 nan 0.000 0.492 701 A N 0.533 123.397 122.820 0.075 0.000 2.076 701 A HA -0.205 4.146 4.320 0.051 0.000 0.220 701 A C 2.072 179.773 177.584 0.195 0.000 1.160 701 A CA 1.030 53.194 52.037 0.212 0.000 0.653 701 A CB -0.415 18.713 19.000 0.214 0.000 0.801 701 A HN 0.161 nan 8.150 nan 0.000 0.455 702 R N -0.171 120.385 120.500 0.093 0.000 2.200 702 R HA -0.127 4.243 4.340 0.051 0.000 0.234 702 R C 1.839 178.152 176.300 0.022 0.000 1.127 702 R CA 1.463 57.604 56.100 0.069 0.000 0.989 702 R CB -0.236 30.090 30.300 0.042 0.000 0.869 702 R HN 0.549 nan 8.270 nan 0.000 0.459 703 K N -0.210 120.160 120.400 -0.050 0.000 2.211 703 K HA -0.143 4.207 4.320 0.051 0.000 0.204 703 K C 1.469 177.964 176.600 -0.176 0.000 1.047 703 K CA 1.228 57.430 56.287 -0.142 0.000 0.935 703 K CB -0.140 32.225 32.500 -0.226 0.000 0.728 703 K HN 0.177 nan 8.250 nan 0.000 0.452 704 F N 1.598 121.523 119.950 -0.041 0.000 2.546 704 F HA -0.110 4.447 4.527 0.051 0.000 0.298 704 F C 1.891 177.644 175.800 -0.079 0.000 1.120 704 F CA 0.860 58.824 58.000 -0.060 0.000 1.456 704 F CB -0.058 38.905 39.000 -0.061 0.000 1.088 704 F HN -0.059 nan 8.300 nan 0.000 0.572 705 K N 0.321 120.767 120.400 0.076 0.000 2.152 705 K HA -0.206 4.144 4.320 0.051 0.000 0.206 705 K C 2.332 178.904 176.600 -0.047 0.000 1.048 705 K CA 1.092 57.376 56.287 -0.005 0.000 0.933 705 K CB -0.407 32.086 32.500 -0.011 0.000 0.721 705 K HN 0.265 nan 8.250 nan 0.000 0.447 706 A N 0.637 123.435 122.820 -0.036 0.000 1.883 706 A HA -0.238 4.113 4.320 0.051 0.000 0.217 706 A C 2.293 179.847 177.584 -0.052 0.000 1.186 706 A CA 2.362 54.370 52.037 -0.048 0.000 0.624 706 A CB -1.121 17.849 19.000 -0.051 0.000 0.822 706 A HN 0.357 nan 8.150 nan 0.000 0.444 707 T N 0.087 114.627 114.554 -0.022 0.000 2.867 707 T HA -0.052 4.329 4.350 0.051 0.000 0.268 707 T C 1.346 175.981 174.700 -0.108 0.000 1.057 707 T CA 1.394 63.479 62.100 -0.025 0.000 1.136 707 T CB -0.611 68.285 68.868 0.047 0.000 0.874 707 T HN 0.612 nan 8.240 nan 0.000 0.466 708 I N -2.255 118.196 120.570 -0.199 0.000 3.855 708 I HA 0.447 4.647 4.170 0.051 0.000 0.327 708 I C -0.102 175.767 176.117 -0.412 0.000 1.359 708 I CA -0.590 60.447 61.300 -0.438 0.000 1.142 708 I CB -0.258 37.268 38.000 -0.791 0.000 1.041 708 I HN -0.085 nan 8.210 nan 0.000 0.403 709 K N 1.970 122.247 120.400 -0.206 0.000 3.451 709 K HA -0.109 4.242 4.320 0.051 0.000 0.273 709 K C -0.565 175.964 176.600 -0.120 0.000 0.944 709 K CA 0.615 56.826 56.287 -0.128 0.000 0.734 709 K CB -1.452 30.996 32.500 -0.087 0.000 1.437 709 K HN 0.444 nan 8.250 nan 0.000 0.454 710 I N 0.356 120.855 120.570 -0.118 0.000 2.428 710 I HA 0.418 4.619 4.170 0.051 0.000 0.296 710 I C 1.326 177.424 176.117 -0.032 0.000 0.985 710 I CA -1.191 60.067 61.300 -0.070 0.000 1.260 710 I CB 1.107 39.064 38.000 -0.072 0.000 1.389 710 I HN 0.344 nan 8.210 nan 0.000 0.484 711 A N 4.402 127.216 122.820 -0.011 0.000 2.386 711 A HA 0.105 4.455 4.320 0.051 0.000 0.246 711 A C 0.977 178.559 177.584 -0.004 0.000 1.089 711 A CA -0.140 51.894 52.037 -0.005 0.000 0.790 711 A CB 0.096 19.099 19.000 0.004 0.000 1.042 711 A HN 0.768 nan 8.150 nan 0.000 0.497 712 D N 0.039 120.437 120.400 -0.003 0.000 2.178 712 D HA -0.164 4.506 4.640 0.051 0.000 0.202 712 D C 2.139 178.441 176.300 0.004 0.000 0.974 712 D CA 1.863 55.862 54.000 -0.001 0.000 0.841 712 D CB -0.174 40.624 40.800 -0.003 0.000 0.953 712 D HN 0.810 nan 8.370 nan 0.000 0.478 713 Q N 0.501 120.305 119.800 0.005 0.000 2.170 713 Q HA 0.093 4.463 4.340 0.051 0.000 0.203 713 Q C 1.055 177.062 176.000 0.011 0.000 0.976 713 Q CA 1.141 56.949 55.803 0.008 0.000 0.858 713 Q CB -0.066 28.676 28.738 0.008 0.000 0.907 713 Q HN 0.135 nan 8.270 nan 0.000 0.433 714 G N 1.023 109.830 108.800 0.012 0.000 2.462 714 G HA2 -0.047 3.943 3.960 0.051 0.000 0.685 714 G HA3 -0.047 3.943 3.960 0.051 0.000 0.685 714 G C -1.631 173.279 174.900 0.017 0.000 1.295 714 G CA -0.352 44.757 45.100 0.015 0.000 0.941 714 G HN 0.537 nan 8.290 nan 0.000 0.554 715 E N -0.599 119.613 120.200 0.020 0.000 2.352 715 E HA 0.534 4.915 4.350 0.051 0.000 0.280 715 E C -0.773 175.830 176.600 0.005 0.000 0.930 715 E CA -0.964 55.449 56.400 0.022 0.000 0.765 715 E CB 1.543 31.272 29.700 0.049 0.000 1.219 715 E HN 0.380 nan 8.360 nan 0.000 0.434 716 E N 1.356 121.550 120.200 -0.010 0.000 2.480 716 E HA 0.199 4.580 4.350 0.051 0.000 0.258 716 E C 0.819 177.383 176.600 -0.060 0.000 0.984 716 E CA 1.712 58.090 56.400 -0.036 0.000 0.930 716 E CB 1.018 30.694 29.700 -0.039 0.000 0.936 716 E HN 0.928 nan 8.360 nan 0.000 0.466 717 G N 3.043 111.794 108.800 -0.081 0.000 2.218 717 G HA2 -0.197 3.794 3.960 0.051 0.000 0.216 717 G HA3 -0.197 3.794 3.960 0.051 0.000 0.216 717 G C 0.119 174.975 174.900 -0.074 0.000 0.994 717 G CA -0.395 44.636 45.100 -0.114 0.000 0.637 717 G HN 0.408 nan 8.290 nan 0.000 0.505 718 I N 2.299 122.849 120.570 -0.033 0.000 2.390 718 I HA 0.466 4.666 4.170 0.051 0.000 0.283 718 I C 0.423 176.516 176.117 -0.039 0.000 1.016 718 I CA -1.192 60.102 61.300 -0.010 0.000 1.151 718 I CB 1.199 39.223 38.000 0.039 0.000 1.293 718 I HN -0.095 nan 8.210 nan 0.000 0.458 719 V N 7.588 127.445 119.914 -0.094 0.000 2.498 719 V HA 0.371 4.521 4.120 0.051 0.000 0.279 719 V C 0.304 176.395 176.094 -0.006 0.000 1.048 719 V CA -0.399 61.814 62.300 -0.145 0.000 0.967 719 V CB 1.177 32.757 31.823 -0.404 0.000 0.988 719 V HN 0.837 nan 8.190 nan 0.000 0.473 720 E N 4.240 124.499 120.200 0.099 0.000 2.366 720 E HA 0.898 5.279 4.350 0.051 0.000 0.278 720 E C -0.961 175.782 176.600 0.238 0.000 0.923 720 E CA -1.023 55.505 56.400 0.213 0.000 0.761 720 E CB 2.679 32.449 29.700 0.115 0.000 1.231 720 E HN 0.812 nan 8.360 nan 0.000 0.443 721 A N 1.532 124.482 122.820 0.216 0.000 2.544 721 A HA 0.304 4.655 4.320 0.051 0.000 0.291 721 A C -0.614 176.976 177.584 0.011 0.000 1.055 721 A CA -0.592 51.516 52.037 0.117 0.000 0.651 721 A CB 0.999 20.104 19.000 0.175 0.000 1.296 721 A HN 0.603 nan 8.150 nan 0.000 0.431 722 D N 0.520 120.910 120.400 -0.016 0.000 2.218 722 D HA 0.044 4.714 4.640 0.051 0.000 0.204 722 D C 0.973 177.216 176.300 -0.096 0.000 0.976 722 D CA 2.277 56.252 54.000 -0.042 0.000 0.853 722 D CB 0.055 40.838 40.800 -0.029 0.000 0.939 722 D HN 0.842 nan 8.370 nan 0.000 0.481 723 S N -1.600 114.004 115.700 -0.160 0.000 2.596 723 S HA 0.666 5.166 4.470 0.051 0.000 0.270 723 S C -0.856 173.450 174.600 -0.491 0.000 1.155 723 S CA -0.962 57.092 58.200 -0.243 0.000 0.827 723 S CB 2.159 65.270 63.200 -0.149 0.000 1.130 723 S HN 0.013 nan 8.310 nan 0.000 0.467 724 A N 1.557 124.028 122.820 -0.580 0.000 2.671 724 A HA 0.626 4.977 4.320 0.051 0.000 0.306 724 A C 0.057 177.432 177.584 -0.348 0.000 1.473 724 A CA 0.300 51.789 52.037 -0.913 0.000 1.155 724 A CB -1.700 16.947 19.000 -0.588 0.000 1.123 724 A HN 1.181 nan 8.150 nan 0.000 0.545 725 D N -0.227 120.066 120.400 -0.178 0.000 10.329 725 D HA 0.153 4.824 4.640 0.051 0.000 0.291 725 D C 0.461 176.781 176.300 0.033 0.000 2.950 725 D CA 1.589 55.639 54.000 0.083 0.000 2.758 725 D CB -0.894 39.968 40.800 0.103 0.000 1.118 725 D HN 0.954 nan 8.370 nan 0.000 0.851 726 G N 0.870 109.716 108.800 0.076 0.000 3.432 726 G HA2 0.274 4.265 3.960 0.051 0.000 0.124 726 G HA3 0.274 4.265 3.960 0.051 0.000 0.124 726 G C 0.513 175.460 174.900 0.077 0.000 1.237 726 G CA 0.586 45.720 45.100 0.057 0.000 1.347 726 G HN 1.193 nan 8.290 nan 0.000 0.654 727 S N -0.080 115.678 115.700 0.097 0.000 2.578 727 S HA 0.325 4.826 4.470 0.051 0.000 0.231 727 S C 1.669 176.336 174.600 0.110 0.000 0.994 727 S CA 0.368 58.616 58.200 0.080 0.000 0.956 727 S CB 0.093 63.324 63.200 0.051 0.000 0.870 727 S HN 0.393 nan 8.310 nan 0.000 0.494 728 F N 2.711 122.659 119.950 -0.004 0.000 2.102 728 F HA -0.006 4.551 4.527 0.051 0.000 0.298 728 F C 2.127 177.923 175.800 -0.007 0.000 1.105 728 F CA 1.608 59.605 58.000 -0.005 0.000 1.239 728 F CB -0.199 38.799 39.000 -0.003 0.000 0.991 728 F HN 0.149 nan 8.300 nan 0.000 0.474 729 M N 0.123 119.834 119.600 0.185 0.000 2.200 729 M HA -0.149 4.362 4.480 0.051 0.000 0.265 729 M C 1.787 178.072 176.300 -0.025 0.000 1.066 729 M CA 1.289 56.624 55.300 0.058 0.000 1.127 729 M CB -1.337 31.336 32.600 0.123 0.000 1.379 729 M HN 0.115 nan 8.290 nan 0.000 0.420 730 D N 0.550 120.948 120.400 -0.002 0.000 2.117 730 D HA -0.151 4.519 4.640 0.051 0.000 0.197 730 D C 1.978 178.247 176.300 -0.052 0.000 0.987 730 D CA 1.197 55.186 54.000 -0.018 0.000 0.829 730 D CB -0.148 40.651 40.800 -0.000 0.000 0.961 730 D HN 0.449 nan 8.370 nan 0.000 0.460 731 E N 0.203 120.358 120.200 -0.076 0.000 2.058 731 E HA -0.146 4.234 4.350 0.051 0.000 0.194 731 E C 2.083 178.591 176.600 -0.152 0.000 0.997 731 E CA 0.326 56.661 56.400 -0.110 0.000 0.801 731 E CB -0.066 29.555 29.700 -0.131 0.000 0.746 731 E HN 0.160 nan 8.360 nan 0.000 0.450 732 L N 0.833 121.926 121.223 -0.216 0.000 2.027 732 L HA -0.158 4.212 4.340 0.051 0.000 0.206 732 L C 2.051 178.844 176.870 -0.128 0.000 1.074 732 L CA 1.346 56.057 54.840 -0.215 0.000 0.745 732 L CB -0.393 41.493 42.059 -0.288 0.000 0.898 732 L HN 0.231 nan 8.230 nan 0.000 0.433 733 L N -0.032 121.136 121.223 -0.092 0.000 2.131 733 L HA -0.153 4.218 4.340 0.051 0.000 0.210 733 L C 2.612 179.451 176.870 -0.051 0.000 1.092 733 L CA 1.632 56.437 54.840 -0.058 0.000 0.759 733 L CB -1.774 40.262 42.059 -0.039 0.000 0.903 733 L HN 0.267 nan 8.230 nan 0.000 0.435 734 T N -0.162 114.359 114.554 -0.056 0.000 2.777 734 T HA -0.116 4.265 4.350 0.051 0.000 0.266 734 T C 2.105 176.770 174.700 -0.059 0.000 1.040 734 T CA 0.911 62.984 62.100 -0.045 0.000 1.141 734 T CB -0.095 68.749 68.868 -0.041 0.000 0.868 734 T HN 0.194 nan 8.240 nan 0.000 0.444 735 L N 0.335 121.503 121.223 -0.091 0.000 2.017 735 L HA -0.070 4.300 4.340 0.051 0.000 0.208 735 L C 2.725 179.527 176.870 -0.114 0.000 1.073 735 L CA 1.327 56.094 54.840 -0.122 0.000 0.745 735 L CB -0.594 41.373 42.059 -0.153 0.000 0.894 735 L HN 0.284 nan 8.230 nan 0.000 0.432 736 M N -0.396 119.151 119.600 -0.087 0.000 2.149 736 M HA -0.226 4.284 4.480 0.051 0.000 0.261 736 M C 2.472 178.769 176.300 -0.004 0.000 1.064 736 M CA 1.929 57.199 55.300 -0.050 0.000 1.102 736 M CB -0.593 31.985 32.600 -0.036 0.000 1.369 736 M HN 0.345 nan 8.290 nan 0.000 0.408 737 A N 0.144 122.962 122.820 -0.005 0.000 2.019 737 A HA 0.033 4.383 4.320 0.051 0.000 0.219 737 A C 2.156 179.774 177.584 0.057 0.000 1.164 737 A CA 1.705 53.758 52.037 0.026 0.000 0.644 737 A CB -0.658 18.352 19.000 0.016 0.000 0.805 737 A HN 0.523 nan 8.150 nan 0.000 0.449 738 A N -2.641 120.194 122.820 0.024 0.000 2.251 738 A HA 0.344 4.695 4.320 0.051 0.000 0.209 738 A C 0.971 178.576 177.584 0.035 0.000 1.187 738 A CA 1.247 53.309 52.037 0.041 0.000 0.823 738 A CB -0.469 18.512 19.000 -0.033 0.000 0.846 738 A HN 0.931 nan 8.150 nan 0.000 0.486 739 H N -1.115 117.890 119.070 -0.107 0.000 4.856 739 H HA -0.192 4.394 4.556 0.051 0.000 0.059 739 H C -0.096 175.006 175.328 -0.376 0.000 0.596 739 H CA 2.398 58.359 56.048 -0.144 0.000 0.946 739 H CB -0.577 29.198 29.762 0.022 0.000 0.453 739 H HN 0.456 nan 8.280 nan 0.000 0.801 740 R N -0.157 119.728 120.500 -1.026 0.000 2.771 740 R HA 0.589 4.960 4.340 0.051 0.000 0.274 740 R C -0.693 174.685 176.300 -1.535 0.000 0.987 740 R CA -0.336 54.908 56.100 -1.425 0.000 0.908 740 R CB 1.827 30.934 30.300 -1.989 0.000 1.213 740 R HN 0.103 nan 8.270 nan 0.000 0.468 741 V N 2.908 122.206 119.914 -1.025 0.000 2.276 741 V HA 0.085 4.236 4.120 0.051 0.000 0.249 741 V C 0.858 176.546 176.094 -0.675 0.000 1.160 741 V CA -0.368 61.492 62.300 -0.733 0.000 1.042 741 V CB -0.370 31.183 31.823 -0.450 0.000 1.224 741 V HN 0.727 nan 8.190 nan 0.000 0.496 742 W N 1.936 122.952 121.300 -0.473 0.000 2.342 742 W HA -0.211 4.479 4.660 0.050 0.000 0.297 742 W C 2.585 178.894 176.519 -0.349 0.000 1.213 742 W CA 0.937 57.909 57.345 -0.623 0.000 1.251 742 W CB -0.433 28.322 29.460 -1.176 0.000 1.136 742 W HN 0.670 nan 8.180 nan 0.000 0.526 743 S N 0.770 116.436 115.700 -0.056 0.000 2.442 743 S HA -0.189 4.312 4.470 0.051 0.000 0.236 743 S C 1.728 176.294 174.600 -0.057 0.000 1.007 743 S CA 1.062 59.245 58.200 -0.028 0.000 0.965 743 S CB -0.497 62.686 63.200 -0.028 0.000 0.773 743 S HN 0.391 nan 8.310 nan 0.000 0.504 744 R N 0.767 121.188 120.500 -0.132 0.000 2.280 744 R HA 0.178 4.549 4.340 0.051 0.000 0.207 744 R C 1.870 178.096 176.300 -0.123 0.000 1.043 744 R CA 0.564 56.561 56.100 -0.172 0.000 1.006 744 R CB -0.427 29.657 30.300 -0.361 0.000 0.885 744 R HN 0.492 nan 8.270 nan 0.000 0.467 745 I N 1.705 122.242 120.570 -0.056 0.000 2.113 745 I HA -0.264 3.936 4.170 0.051 0.000 0.242 745 I C -0.781 175.355 176.117 0.032 0.000 1.064 745 I CA 1.552 62.861 61.300 0.015 0.000 1.320 745 I CB -1.102 36.953 38.000 0.091 0.000 1.028 745 I HN 0.166 nan 8.210 nan 0.000 0.406 746 P HA -0.194 nan 4.420 nan 0.000 0.218 746 P C 1.075 178.404 177.300 0.049 0.000 1.146 746 P CA 1.581 64.709 63.100 0.047 0.000 0.813 746 P CB -0.121 31.604 31.700 0.043 0.000 0.778 747 K N -0.628 119.798 120.400 0.043 0.000 2.400 747 K HA 0.089 4.440 4.320 0.051 0.000 0.194 747 K C 1.966 178.630 176.600 0.107 0.000 1.033 747 K CA 0.655 56.992 56.287 0.082 0.000 1.021 747 K CB -0.316 32.261 32.500 0.128 0.000 0.808 747 K HN 0.318 nan 8.250 nan 0.000 0.505 748 I N -1.649 118.955 120.570 0.057 0.000 2.928 748 I HA -0.068 4.132 4.170 0.051 0.000 0.266 748 I C 1.198 177.359 176.117 0.073 0.000 1.234 748 I CA 1.059 62.398 61.300 0.065 0.000 1.483 748 I CB -0.098 37.897 38.000 -0.008 0.000 1.097 748 I HN -0.172 nan 8.210 nan 0.000 0.455 749 D N 2.220 122.664 120.400 0.072 0.000 2.133 749 D HA -0.169 4.501 4.640 0.051 0.000 0.195 749 D C 1.916 178.254 176.300 0.064 0.000 0.997 749 D CA 1.291 55.333 54.000 0.070 0.000 0.840 749 D CB -0.031 40.810 40.800 0.069 0.000 0.947 749 D HN 0.163 nan 8.370 nan 0.000 0.452 750 K N 0.023 120.462 120.400 0.065 0.000 2.439 750 K HA 0.141 4.492 4.320 0.051 0.000 0.197 750 K C 0.544 177.175 176.600 0.051 0.000 1.041 750 K CA -0.106 56.214 56.287 0.055 0.000 0.970 750 K CB -0.195 32.337 32.500 0.052 0.000 0.773 750 K HN 0.277 nan 8.250 nan 0.000 0.479 751 I N 2.849 123.458 120.570 0.064 0.000 2.352 751 I HA 0.137 4.338 4.170 0.051 0.000 0.290 751 I C -2.091 174.051 176.117 0.041 0.000 1.036 751 I CA -2.493 58.837 61.300 0.049 0.000 1.336 751 I CB 1.092 39.137 38.000 0.076 0.000 1.407 751 I HN -0.048 nan 8.210 nan 0.000 0.497 752 P HA 0.265 nan 4.420 nan 0.000 0.249 752 P C -0.890 176.461 177.300 0.084 0.000 1.737 752 P CA 0.082 63.214 63.100 0.053 0.000 1.128 752 P CB 0.068 31.796 31.700 0.046 0.000 1.942 753 A N 0.000 122.867 122.820 0.078 0.000 2.254 753 A HA 0.000 4.351 4.320 0.051 0.000 0.244 753 A CA 0.000 52.118 52.037 0.135 0.000 0.836 753 A CB 0.000 18.979 19.000 -0.034 0.000 0.831 753 A HN 0.000 nan 8.150 nan 0.000 0.486