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 3dkh_1_A DATA FIRST_RESID 2 DATA SEQUENCE PTcNTPSNRA cWSDGFDINT DYEVSTPDTG VTQSYVFNLT EVDNWMGPDG DATA SEQUENCE VVKEKVMLIN GNIMGPNIVA NWGDTVEVTV INNLVTNGTS IHWHGIHQKD DATA SEQUENCE TNLHDGANGV TEcPIPPKGG QRTYRWRARQ YGTSWYHSHF SAQYGNGVVG DATA SEQUENCE TIQINGPASL PYDIDLGVFP ITDYYYRAAD DLVHFTQNNA PPFSDNVLIN DATA SEQUENCE GTAVNPNTGE GQYANVTLTP GKRHRLRILN TSTENHFQVS LVNHTMTVIA DATA SEQUENCE ADMVPVNAMT VDSLFLAVGQ RYDVVIDASR APDNYWFNVT FGGQAAcGGS DATA SEQUENCE LNPHPAAIFH YAGAPGGLPT DEGTPPVDHQ cLDTLDVRPV VPRSVPVNSF DATA SEQUENCE VKRPDNTLPV ALDLTGTPLF VWKVNGSDIN VDWGKPIIDY ILTGNTSYPV DATA SEQUENCE SDNIVQVDAV DQWTYWLIEN DPEGPFSLPH PMHLHGHDFL VLGRSPDVPA DATA SEQUENCE ASQQRFVFDP AVDLARLNGD NPPRRDTTML PAGGWLLLAF RTDNPGAWLF DATA SEQUENCE HCHIAWHVSG GLSVDFLERP ADLRQRISQE DEDDFNRVcD EWRAYWPTNP DATA SEQUENCE YPKIDSGA 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 2 P HA 0.000 nan 4.420 nan 0.000 0.216 2 P C 0.000 176.973 177.300 -0.545 0.000 1.155 2 P CA 0.000 62.445 63.100 -1.092 0.000 0.800 2 P CB 0.000 31.174 31.700 -0.877 0.000 0.726 3 T N -2.372 111.902 114.554 -0.467 0.000 3.182 3 T HA 0.032 4.373 4.350 -0.014 0.000 0.244 3 T C 1.316 175.912 174.700 -0.174 0.000 0.981 3 T CA 0.981 62.932 62.100 -0.249 0.000 1.182 3 T CB -0.450 68.308 68.868 -0.183 0.000 1.043 3 T HN 0.533 nan 8.240 nan 0.000 0.424 4 c N 1.977 120.488 118.600 -0.148 0.000 2.589 4 c HA 0.464 5.025 4.570 -0.014 0.000 0.307 4 c C 0.687 174.752 174.090 -0.040 0.000 1.328 4 c CA -1.510 54.777 56.329 -0.070 0.000 1.742 4 c CB -2.273 40.221 42.510 -0.027 0.000 2.037 4 c HN 0.522 nan 8.230 nan 0.000 0.592 5 N N 2.736 121.392 118.700 -0.073 0.000 2.469 5 N HA 0.282 5.014 4.740 -0.014 0.000 0.239 5 N C -0.346 175.143 175.510 -0.037 0.000 1.053 5 N CA 0.505 53.558 53.050 0.005 0.000 0.937 5 N CB 0.939 39.487 38.487 0.101 0.000 1.163 5 N HN 0.750 nan 8.380 nan 0.000 0.509 6 T N 0.666 115.190 114.554 -0.051 0.000 2.907 6 T HA 0.417 4.758 4.350 -0.014 0.000 0.290 6 T C -2.162 172.466 174.700 -0.121 0.000 1.066 6 T CA -1.661 60.396 62.100 -0.072 0.000 1.012 6 T CB 1.921 70.756 68.868 -0.055 0.000 1.184 6 T HN 0.042 nan 8.240 nan 0.000 0.522 7 P HA -0.093 nan 4.420 nan 0.000 0.219 7 P C 1.502 178.719 177.300 -0.137 0.000 1.146 7 P CA 1.193 64.192 63.100 -0.168 0.000 0.808 7 P CB 0.003 31.640 31.700 -0.105 0.000 0.779 8 S N -3.482 112.167 115.700 -0.086 0.000 2.503 8 S HA 0.097 4.558 4.470 -0.014 0.000 0.217 8 S C 0.929 175.502 174.600 -0.046 0.000 0.999 8 S CA 0.056 58.222 58.200 -0.055 0.000 0.914 8 S CB -0.427 62.752 63.200 -0.034 0.000 0.782 8 S HN -0.012 nan 8.310 nan 0.000 0.520 9 N N 0.993 119.660 118.700 -0.055 0.000 2.727 9 N HA 0.334 5.066 4.740 -0.014 0.000 0.252 9 N C 0.117 175.609 175.510 -0.030 0.000 1.283 9 N CA -0.352 52.682 53.050 -0.026 0.000 0.782 9 N CB 0.648 39.131 38.487 -0.007 0.000 1.199 9 N HN -0.028 nan 8.380 nan 0.000 0.520 10 R N 0.707 121.174 120.500 -0.056 0.000 2.297 10 R HA 0.234 4.565 4.340 -0.014 0.000 0.197 10 R C 1.311 177.642 176.300 0.053 0.000 0.943 10 R CA 0.418 56.486 56.100 -0.054 0.000 1.038 10 R CB -0.109 30.074 30.300 -0.195 0.000 0.957 10 R HN 0.481 nan 8.270 nan 0.000 0.484 11 A N 0.394 123.251 122.820 0.062 0.000 1.968 11 A HA -0.070 4.242 4.320 -0.014 0.000 0.217 11 A C 1.253 178.918 177.584 0.135 0.000 1.169 11 A CA 0.463 52.556 52.037 0.093 0.000 0.638 11 A CB -0.198 18.850 19.000 0.080 0.000 0.812 11 A HN 0.330 nan 8.150 nan 0.000 0.446 12 c N -1.622 117.059 118.600 0.135 0.000 2.459 12 c HA 0.495 5.056 4.570 -0.014 0.000 0.374 12 c C 1.064 175.331 174.090 0.295 0.000 1.241 12 c CA -0.461 55.972 56.329 0.173 0.000 2.352 12 c CB 0.358 42.927 42.510 0.097 0.000 2.490 12 c HN 0.693 nan 8.230 nan 0.000 0.583 13 W N 2.092 123.442 121.300 0.083 0.000 4.705 13 W HA 0.266 4.918 4.660 -0.014 0.000 0.194 13 W C 0.351 176.919 176.519 0.081 0.000 0.966 13 W CA 0.637 58.038 57.345 0.094 0.000 2.145 13 W CB -0.467 29.102 29.460 0.182 0.000 0.852 13 W HN 0.793 nan 8.180 nan 0.000 0.946 14 S N 0.011 115.816 115.700 0.176 0.000 2.752 14 S HA 0.230 4.691 4.470 -0.014 0.000 0.284 14 S C -1.480 173.203 174.600 0.139 0.000 1.189 14 S CA -0.642 57.586 58.200 0.046 0.000 0.835 14 S CB 1.994 65.189 63.200 -0.008 0.000 1.192 14 S HN 0.006 nan 8.310 nan 0.000 0.506 15 D N 0.331 120.785 120.400 0.091 0.000 2.389 15 D HA 0.452 5.084 4.640 -0.014 0.000 0.263 15 D C 1.473 177.770 176.300 -0.004 0.000 1.255 15 D CA 1.932 55.960 54.000 0.046 0.000 0.914 15 D CB -0.368 40.445 40.800 0.021 0.000 1.116 15 D HN 1.323 nan 8.370 nan 0.000 0.502 16 G N 3.011 111.747 108.800 -0.106 0.000 2.179 16 G HA2 -0.260 3.691 3.960 -0.014 0.000 0.260 16 G HA3 -0.260 3.691 3.960 -0.014 0.000 0.260 16 G C 0.088 174.613 174.900 -0.625 0.000 0.977 16 G CA 0.001 44.885 45.100 -0.361 0.000 0.641 16 G HN 0.439 nan 8.290 nan 0.000 0.533 17 F N 1.874 121.870 119.950 0.077 0.000 2.499 17 F HA 0.595 5.114 4.527 -0.014 0.000 0.333 17 F C 0.171 176.159 175.800 0.313 0.000 1.138 17 F CA -0.535 57.548 58.000 0.139 0.000 0.945 17 F CB 1.883 40.823 39.000 -0.100 0.000 1.181 17 F HN 0.333 nan 8.300 nan 0.000 0.435 18 D N 1.060 121.755 120.400 0.491 0.000 2.812 18 D HA 0.283 4.915 4.640 -0.014 0.000 0.318 18 D C 0.464 176.955 176.300 0.319 0.000 1.234 18 D CA -0.677 53.543 54.000 0.367 0.000 0.989 18 D CB 0.677 41.613 40.800 0.226 0.000 1.442 18 D HN 0.192 nan 8.370 nan 0.000 0.537 19 I N 0.023 120.716 120.570 0.204 0.000 2.614 19 I HA -0.055 4.107 4.170 -0.014 0.000 0.258 19 I C 0.798 177.065 176.117 0.250 0.000 1.189 19 I CA 1.181 62.601 61.300 0.199 0.000 1.462 19 I CB -0.582 37.508 38.000 0.150 0.000 1.092 19 I HN 0.323 nan 8.210 nan 0.000 0.442 20 N N -0.172 118.660 118.700 0.220 0.000 2.373 20 N HA 0.027 4.758 4.740 -0.014 0.000 0.181 20 N C 0.595 176.230 175.510 0.208 0.000 1.082 20 N CA 0.743 53.907 53.050 0.189 0.000 0.885 20 N CB -0.260 38.306 38.487 0.132 0.000 0.977 20 N HN 0.447 nan 8.380 nan 0.000 0.462 21 T N -0.528 114.196 114.554 0.283 0.000 2.919 21 T HA 0.039 4.380 4.350 -0.014 0.000 0.302 21 T C 0.071 174.977 174.700 0.344 0.000 1.031 21 T CA -0.577 61.701 62.100 0.297 0.000 1.127 21 T CB 1.435 70.531 68.868 0.381 0.000 0.952 21 T HN -0.127 nan 8.240 nan 0.000 0.540 22 D N 2.468 122.996 120.400 0.212 0.000 2.348 22 D HA 0.041 4.672 4.640 -0.014 0.000 0.259 22 D C 0.992 177.419 176.300 0.211 0.000 1.296 22 D CA -0.549 53.499 54.000 0.081 0.000 0.931 22 D CB 0.080 40.895 40.800 0.024 0.000 1.067 22 D HN 0.762 nan 8.370 nan 0.000 0.503 23 Y N 1.875 122.381 120.300 0.343 0.000 2.421 23 Y HA 0.072 4.613 4.550 -0.014 0.000 0.292 23 Y C 1.578 177.656 175.900 0.298 0.000 1.136 23 Y CA 0.451 58.816 58.100 0.441 0.000 1.255 23 Y CB -0.374 38.214 38.460 0.213 0.000 0.991 23 Y HN 0.305 nan 8.280 nan 0.000 0.552 24 E N 0.549 120.732 120.200 -0.029 0.000 2.427 24 E HA -0.033 4.308 4.350 -0.014 0.000 0.196 24 E C 1.373 178.039 176.600 0.111 0.000 1.028 24 E CA 1.201 57.644 56.400 0.072 0.000 0.864 24 E CB 0.194 29.858 29.700 -0.059 0.000 0.813 24 E HN 0.611 nan 8.360 nan 0.000 0.514 25 V N -4.353 115.637 119.914 0.126 0.000 3.411 25 V HA 0.282 4.394 4.120 -0.014 0.000 0.287 25 V C 0.248 176.443 176.094 0.168 0.000 1.543 25 V CA -0.537 61.835 62.300 0.119 0.000 1.028 25 V CB 1.393 33.257 31.823 0.068 0.000 0.840 25 V HN -0.067 nan 8.190 nan 0.000 0.435 26 S N 0.583 116.440 115.700 0.261 0.000 2.594 26 S HA 0.787 5.249 4.470 -0.014 0.000 0.296 26 S C -0.538 174.316 174.600 0.424 0.000 1.124 26 S CA 0.014 58.417 58.200 0.338 0.000 1.011 26 S CB 1.732 65.138 63.200 0.342 0.000 1.016 26 S HN 0.576 nan 8.310 nan 0.000 0.485 27 T N 5.802 120.491 114.554 0.225 0.000 2.916 27 T HA 0.524 4.866 4.350 -0.014 0.000 0.298 27 T C -2.899 171.468 174.700 -0.555 0.000 1.031 27 T CA -1.002 61.008 62.100 -0.149 0.000 0.993 27 T CB 1.764 70.644 68.868 0.020 0.000 1.045 27 T HN 0.318 nan 8.240 nan 0.000 0.454 28 P HA 0.269 nan 4.420 nan 0.000 0.271 28 P C -0.784 176.254 177.300 -0.437 0.000 1.216 28 P CA -0.296 62.146 63.100 -1.097 0.000 0.776 28 P CB 0.433 31.408 31.700 -1.208 0.000 0.881 29 D N 1.172 121.425 120.400 -0.244 0.000 2.499 29 D HA 0.094 4.725 4.640 -0.014 0.000 0.225 29 D C 1.044 177.281 176.300 -0.105 0.000 1.124 29 D CA -0.202 53.724 54.000 -0.125 0.000 0.938 29 D CB 0.103 40.869 40.800 -0.057 0.000 1.014 29 D HN 0.258 nan 8.370 nan 0.000 0.517 30 T N 0.026 114.516 114.554 -0.107 0.000 3.009 30 T HA 0.183 4.525 4.350 -0.014 0.000 0.258 30 T C 1.773 176.437 174.700 -0.060 0.000 1.063 30 T CA 0.651 62.705 62.100 -0.077 0.000 1.139 30 T CB -0.158 68.674 68.868 -0.059 0.000 0.890 30 T HN 0.505 nan 8.240 nan 0.000 0.471 31 G N 0.799 109.563 108.800 -0.061 0.000 2.162 31 G HA2 -0.215 3.736 3.960 -0.014 0.000 0.260 31 G HA3 -0.215 3.736 3.960 -0.014 0.000 0.260 31 G C 0.075 174.940 174.900 -0.058 0.000 0.976 31 G CA 0.160 45.227 45.100 -0.055 0.000 0.655 31 G HN 0.787 nan 8.290 nan 0.000 0.533 32 V N 0.538 120.416 119.914 -0.060 0.000 2.617 32 V HA 0.763 4.874 4.120 -0.014 0.000 0.298 32 V C 0.534 176.578 176.094 -0.083 0.000 1.048 32 V CA 0.049 62.311 62.300 -0.063 0.000 0.964 32 V CB 1.835 33.631 31.823 -0.046 0.000 1.004 32 V HN 0.272 nan 8.190 nan 0.000 0.466 33 T N 3.698 118.192 114.554 -0.099 0.000 2.861 33 T HA 0.419 4.760 4.350 -0.014 0.000 0.287 33 T C -0.875 173.734 174.700 -0.151 0.000 1.003 33 T CA -0.580 61.438 62.100 -0.137 0.000 0.977 33 T CB 1.576 70.358 68.868 -0.144 0.000 0.996 33 T HN 0.547 nan 8.240 nan 0.000 0.448 34 Q N 2.056 121.749 119.800 -0.179 0.000 2.368 34 Q HA 0.495 4.826 4.340 -0.014 0.000 0.263 34 Q C -0.683 175.135 176.000 -0.304 0.000 1.009 34 Q CA -0.352 55.329 55.803 -0.204 0.000 0.818 34 Q CB 1.867 30.573 28.738 -0.053 0.000 1.239 34 Q HN 0.570 nan 8.270 nan 0.000 0.464 35 S N 2.604 118.042 115.700 -0.436 0.000 2.525 35 S HA 0.721 5.182 4.470 -0.014 0.000 0.290 35 S C -0.912 173.271 174.600 -0.695 0.000 1.152 35 S CA -0.378 57.574 58.200 -0.414 0.000 1.072 35 S CB 0.628 63.670 63.200 -0.263 0.000 1.027 35 S HN 0.355 nan 8.310 nan 0.000 0.500 36 Y N 0.013 120.240 120.300 -0.121 0.000 2.534 36 Y HA 0.508 5.049 4.550 -0.014 0.000 0.345 36 Y C -0.607 175.248 175.900 -0.074 0.000 1.031 36 Y CA -1.013 57.062 58.100 -0.041 0.000 1.022 36 Y CB 1.519 39.982 38.460 0.005 0.000 1.292 36 Y HN 0.316 nan 8.280 nan 0.000 0.459 37 V N 3.911 123.962 119.914 0.230 0.000 2.409 37 V HA 0.392 4.504 4.120 -0.014 0.000 0.291 37 V C -1.107 175.257 176.094 0.450 0.000 1.020 37 V CA -0.801 61.617 62.300 0.197 0.000 0.848 37 V CB 1.057 32.957 31.823 0.128 0.000 0.990 37 V HN 0.460 nan 8.190 nan 0.000 0.430 38 F N 3.661 123.686 119.950 0.124 0.000 2.361 38 F HA 0.455 4.973 4.527 -0.014 0.000 0.364 38 F C 0.489 176.337 175.800 0.080 0.000 1.120 38 F CA -1.497 56.567 58.000 0.106 0.000 1.102 38 F CB 1.043 40.104 39.000 0.102 0.000 1.183 38 F HN 0.433 nan 8.300 nan 0.000 0.476 39 N N 4.958 123.795 118.700 0.229 0.000 2.485 39 N HA 0.274 5.005 4.740 -0.014 0.000 0.243 39 N C -1.052 174.506 175.510 0.080 0.000 0.987 39 N CA -0.261 52.867 53.050 0.130 0.000 0.940 39 N CB 0.554 39.100 38.487 0.098 0.000 1.122 39 N HN 0.459 nan 8.380 nan 0.000 0.509 40 L N 3.395 124.661 121.223 0.071 0.000 2.295 40 L HA 0.314 4.646 4.340 -0.014 0.000 0.288 40 L C 0.580 177.455 176.870 0.009 0.000 1.079 40 L CA -0.462 54.395 54.840 0.030 0.000 0.830 40 L CB 0.106 42.182 42.059 0.028 0.000 1.200 40 L HN 0.483 nan 8.230 nan 0.000 0.438 41 T N -0.660 113.890 114.554 -0.006 0.000 2.918 41 T HA 0.420 4.762 4.350 -0.014 0.000 0.286 41 T C -0.402 174.285 174.700 -0.022 0.000 1.026 41 T CA -0.873 61.223 62.100 -0.007 0.000 1.031 41 T CB 2.632 71.499 68.868 -0.001 0.000 1.046 41 T HN 0.492 nan 8.240 nan 0.000 0.479 42 E N 1.348 121.546 120.200 -0.004 0.000 2.113 42 E HA 0.513 4.854 4.350 -0.014 0.000 0.273 42 E C -1.260 175.346 176.600 0.010 0.000 0.924 42 E CA -0.799 55.602 56.400 0.002 0.000 0.764 42 E CB 0.960 30.678 29.700 0.030 0.000 1.104 42 E HN 0.543 nan 8.360 nan 0.000 0.406 43 V N 4.943 124.850 119.914 -0.011 0.000 2.384 43 V HA 0.247 4.358 4.120 -0.014 0.000 0.287 43 V C -0.160 175.987 176.094 0.088 0.000 1.020 43 V CA -0.946 61.373 62.300 0.032 0.000 0.850 43 V CB 1.465 33.285 31.823 -0.005 0.000 0.987 43 V HN 0.681 nan 8.190 nan 0.000 0.436 44 D N 4.149 124.613 120.400 0.106 0.000 2.225 44 D HA 0.237 4.868 4.640 -0.014 0.000 0.249 44 D C 0.317 176.705 176.300 0.147 0.000 1.052 44 D CA -0.111 53.958 54.000 0.115 0.000 0.909 44 D CB 0.889 41.742 40.800 0.087 0.000 1.186 44 D HN 0.637 nan 8.370 nan 0.000 0.431 45 N N 1.250 120.037 118.700 0.144 0.000 2.696 45 N HA -0.239 4.493 4.740 -0.014 0.000 0.256 45 N C -0.789 174.826 175.510 0.176 0.000 1.031 45 N CA 0.411 53.537 53.050 0.127 0.000 0.730 45 N CB -1.167 37.365 38.487 0.074 0.000 0.894 45 N HN 0.535 nan 8.380 nan 0.000 0.544 46 W N 1.309 122.628 121.300 0.030 0.000 2.315 46 W HA 0.467 5.119 4.660 -0.015 0.000 0.316 46 W C 0.498 177.039 176.519 0.036 0.000 1.211 46 W CA -0.920 56.448 57.345 0.038 0.000 1.201 46 W CB 0.541 30.036 29.460 0.058 0.000 1.184 46 W HN 0.176 nan 8.180 nan 0.000 0.544 47 M N 6.512 125.694 119.600 -0.698 0.000 2.156 47 M HA 0.365 4.836 4.480 -0.014 0.000 0.345 47 M C 0.271 175.820 176.300 -1.252 0.000 1.398 47 M CA -0.191 54.682 55.300 -0.713 0.000 1.148 47 M CB -0.199 32.127 32.600 -0.457 0.000 1.663 47 M HN 0.495 nan 8.290 nan 0.000 0.464 48 G N 5.877 114.222 108.800 -0.759 0.000 2.572 48 G HA2 0.419 4.371 3.960 -0.014 0.000 0.261 48 G HA3 0.419 4.371 3.960 -0.014 0.000 0.261 48 G C -2.000 172.676 174.900 -0.373 0.000 1.197 48 G CA -1.255 43.499 45.100 -0.577 0.000 0.870 48 G HN 0.648 nan 8.290 nan 0.000 0.548 49 P HA -0.061 nan 4.420 nan 0.000 0.219 49 P C 1.062 178.268 177.300 -0.157 0.000 1.146 49 P CA 1.348 64.321 63.100 -0.211 0.000 0.808 49 P CB 0.259 31.823 31.700 -0.228 0.000 0.779 50 D N -2.496 117.845 120.400 -0.098 0.000 2.340 50 D HA 0.113 4.744 4.640 -0.014 0.000 0.217 50 D C 1.431 177.697 176.300 -0.057 0.000 1.081 50 D CA 0.499 54.473 54.000 -0.042 0.000 0.842 50 D CB -0.483 40.363 40.800 0.076 0.000 0.934 50 D HN 0.218 nan 8.370 nan 0.000 0.511 51 G N -0.218 108.518 108.800 -0.106 0.000 2.258 51 G HA2 -0.266 3.685 3.960 -0.014 0.000 0.233 51 G HA3 -0.266 3.685 3.960 -0.014 0.000 0.233 51 G C 0.206 175.011 174.900 -0.157 0.000 1.006 51 G CA 0.098 45.122 45.100 -0.127 0.000 0.620 51 G HN 0.357 nan 8.290 nan 0.000 0.511 52 V N 1.929 121.732 119.914 -0.185 0.000 2.614 52 V HA 0.437 4.549 4.120 -0.014 0.000 0.291 52 V C 1.044 176.989 176.094 -0.249 0.000 1.049 52 V CA -0.307 61.803 62.300 -0.316 0.000 1.038 52 V CB 1.707 33.081 31.823 -0.748 0.000 0.980 52 V HN 0.340 nan 8.190 nan 0.000 0.481 53 V N 6.045 125.832 119.914 -0.212 0.000 2.408 53 V HA 0.253 4.364 4.120 -0.014 0.000 0.267 53 V C 0.413 176.466 176.094 -0.069 0.000 1.047 53 V CA -0.626 61.600 62.300 -0.124 0.000 0.937 53 V CB 0.696 32.466 31.823 -0.088 0.000 0.999 53 V HN 0.770 nan 8.190 nan 0.000 0.472 54 K N 3.375 123.807 120.400 0.054 0.000 2.172 54 K HA 0.226 4.538 4.320 -0.014 0.000 0.276 54 K C 1.188 177.871 176.600 0.139 0.000 1.013 54 K CA -0.376 55.987 56.287 0.127 0.000 0.913 54 K CB 1.631 34.299 32.500 0.279 0.000 1.055 54 K HN 0.767 nan 8.250 nan 0.000 0.461 55 E N 2.871 123.129 120.200 0.096 0.000 2.049 55 E HA -0.219 4.123 4.350 -0.014 0.000 0.198 55 E C -0.136 176.527 176.600 0.106 0.000 1.007 55 E CA 1.657 58.107 56.400 0.084 0.000 0.809 55 E CB 0.341 30.077 29.700 0.060 0.000 0.749 55 E HN 0.379 nan 8.360 nan 0.000 0.450 56 K N -0.667 119.802 120.400 0.115 0.000 2.542 56 K HA 0.336 4.647 4.320 -0.014 0.000 0.259 56 K C -1.504 175.151 176.600 0.091 0.000 0.932 56 K CA -0.544 55.804 56.287 0.102 0.000 0.820 56 K CB 2.203 34.750 32.500 0.077 0.000 1.345 56 K HN 0.026 nan 8.250 nan 0.000 0.432 57 V N -0.305 119.631 119.914 0.036 0.000 3.114 57 V HA 0.646 4.757 4.120 -0.014 0.000 0.308 57 V C -1.008 175.034 176.094 -0.086 0.000 1.168 57 V CA -1.105 61.164 62.300 -0.051 0.000 1.015 57 V CB 2.018 33.697 31.823 -0.241 0.000 1.050 57 V HN 0.816 nan 8.190 nan 0.000 0.433 58 M N 3.696 123.248 119.600 -0.079 0.000 2.134 58 M HA 0.695 5.167 4.480 -0.014 0.000 0.310 58 M C -1.312 174.927 176.300 -0.101 0.000 0.966 58 M CA -0.191 55.074 55.300 -0.058 0.000 0.922 58 M CB 1.752 34.356 32.600 0.006 0.000 1.537 58 M HN 0.595 nan 8.290 nan 0.000 0.424 59 L N 3.799 124.944 121.223 -0.129 0.000 2.354 59 L HA 0.686 5.018 4.340 -0.014 0.000 0.264 59 L C -0.751 176.067 176.870 -0.088 0.000 1.008 59 L CA -0.960 53.792 54.840 -0.146 0.000 0.819 59 L CB 2.512 44.421 42.059 -0.250 0.000 1.339 59 L HN 0.633 nan 8.230 nan 0.000 0.420 60 I N 2.686 123.198 120.570 -0.097 0.000 2.304 60 I HA 0.217 4.379 4.170 -0.014 0.000 0.291 60 I C -0.127 175.947 176.117 -0.071 0.000 1.018 60 I CA -0.294 60.944 61.300 -0.104 0.000 1.260 60 I CB 0.633 38.474 38.000 -0.264 0.000 1.390 60 I HN 0.673 nan 8.210 nan 0.000 0.475 61 N N 5.050 123.745 118.700 -0.008 0.000 2.735 61 N HA -0.197 4.534 4.740 -0.014 0.000 0.248 61 N C 0.947 176.468 175.510 0.019 0.000 1.083 61 N CA 1.264 54.330 53.050 0.027 0.000 0.703 61 N CB -1.338 37.182 38.487 0.055 0.000 1.005 61 N HN 1.130 nan 8.380 nan 0.000 0.550 62 G N -1.620 107.177 108.800 -0.005 0.000 2.187 62 G HA2 -0.363 3.588 3.960 -0.014 0.000 0.261 62 G HA3 -0.363 3.588 3.960 -0.014 0.000 0.261 62 G C 0.051 174.963 174.900 0.020 0.000 1.000 62 G CA 0.673 45.774 45.100 0.002 0.000 0.718 62 G HN 0.592 nan 8.290 nan 0.000 0.519 63 N N -1.011 117.682 118.700 -0.011 0.000 2.457 63 N HA 0.518 5.249 4.740 -0.014 0.000 0.290 63 N C 1.197 176.683 175.510 -0.041 0.000 1.232 63 N CA -0.393 52.674 53.050 0.029 0.000 0.852 63 N CB 1.284 39.795 38.487 0.040 0.000 1.313 63 N HN 0.033 nan 8.380 nan 0.000 0.522 64 I N 0.246 120.846 120.570 0.051 0.000 2.194 64 I HA -0.106 4.055 4.170 -0.014 0.000 0.246 64 I C 0.483 176.577 176.117 -0.039 0.000 1.093 64 I CA 1.835 63.151 61.300 0.027 0.000 1.355 64 I CB 0.121 38.218 38.000 0.160 0.000 1.046 64 I HN 0.465 nan 8.210 nan 0.000 0.413 65 M N -1.437 118.141 119.600 -0.037 0.000 2.691 65 M HA 0.454 4.925 4.480 -0.014 0.000 0.293 65 M C 0.358 176.611 176.300 -0.078 0.000 1.259 65 M CA -0.464 54.795 55.300 -0.068 0.000 0.827 65 M CB 1.474 34.027 32.600 -0.078 0.000 1.753 65 M HN 0.036 nan 8.290 nan 0.000 0.465 66 G N 0.736 109.470 108.800 -0.111 0.000 2.588 66 G HA2 0.574 4.526 3.960 -0.014 0.000 0.281 66 G HA3 0.574 4.526 3.960 -0.014 0.000 0.281 66 G C -2.660 172.227 174.900 -0.022 0.000 1.236 66 G CA -0.912 44.110 45.100 -0.131 0.000 0.969 66 G HN 0.389 nan 8.290 nan 0.000 0.504 67 P HA 0.073 nan 4.420 nan 0.000 0.272 67 P C -0.676 176.691 177.300 0.112 0.000 1.223 67 P CA -0.430 62.728 63.100 0.096 0.000 0.784 67 P CB 0.761 32.577 31.700 0.194 0.000 0.923 68 N N 2.507 121.263 118.700 0.093 0.000 2.399 68 N HA 0.134 4.866 4.740 -0.014 0.000 0.259 68 N C 0.260 175.787 175.510 0.028 0.000 1.160 68 N CA -0.071 53.033 53.050 0.089 0.000 0.946 68 N CB 0.287 38.823 38.487 0.083 0.000 1.156 68 N HN 0.403 nan 8.380 nan 0.000 0.489 69 I N 2.936 123.495 120.570 -0.018 0.000 2.494 69 I HA -0.016 4.145 4.170 -0.014 0.000 0.289 69 I C -0.049 176.112 176.117 0.072 0.000 1.106 69 I CA -0.096 61.073 61.300 -0.219 0.000 1.369 69 I CB 0.248 38.169 38.000 -0.132 0.000 1.410 69 I HN 0.046 nan 8.210 nan 0.000 0.523 70 V N 6.470 126.491 119.914 0.179 0.000 2.409 70 V HA 0.833 4.944 4.120 -0.014 0.000 0.291 70 V C 0.149 176.357 176.094 0.189 0.000 1.020 70 V CA -0.441 61.967 62.300 0.180 0.000 0.848 70 V CB 1.188 33.111 31.823 0.167 0.000 0.990 70 V HN 0.833 nan 8.190 nan 0.000 0.430 71 A N 4.413 127.323 122.820 0.150 0.000 2.583 71 A HA 0.824 5.135 4.320 -0.014 0.000 0.289 71 A C -0.914 176.765 177.584 0.157 0.000 1.151 71 A CA -0.852 51.260 52.037 0.125 0.000 0.695 71 A CB 1.667 20.707 19.000 0.068 0.000 1.290 71 A HN 0.639 nan 8.150 nan 0.000 0.419 72 N N -0.637 118.172 118.700 0.182 0.000 2.502 72 N HA 0.288 5.019 4.740 -0.014 0.000 0.280 72 N C -1.057 174.620 175.510 0.279 0.000 1.223 72 N CA -0.262 52.964 53.050 0.293 0.000 0.966 72 N CB 0.726 39.462 38.487 0.415 0.000 1.203 72 N HN 0.716 nan 8.380 nan 0.000 0.565 73 W N 0.879 122.204 121.300 0.042 0.000 2.381 73 W HA 0.331 4.983 4.660 -0.014 0.000 0.321 73 W C 1.044 177.560 176.519 -0.006 0.000 1.407 73 W CA 0.423 57.737 57.345 -0.050 0.000 1.274 73 W CB -0.835 28.438 29.460 -0.312 0.000 1.310 73 W HN 0.830 nan 8.180 nan 0.000 0.551 74 G N 3.647 112.526 108.800 0.132 0.000 2.259 74 G HA2 -0.253 3.698 3.960 -0.014 0.000 0.217 74 G HA3 -0.253 3.698 3.960 -0.014 0.000 0.217 74 G C 0.153 175.037 174.900 -0.027 0.000 1.001 74 G CA -0.064 44.986 45.100 -0.083 0.000 0.627 74 G HN 0.495 nan 8.290 nan 0.000 0.501 75 D N 1.287 121.699 120.400 0.020 0.000 2.361 75 D HA 0.509 5.140 4.640 -0.014 0.000 0.239 75 D C 0.454 176.706 176.300 -0.080 0.000 1.200 75 D CA 0.786 54.770 54.000 -0.028 0.000 0.915 75 D CB 0.794 41.589 40.800 -0.009 0.000 1.170 75 D HN 0.123 nan 8.370 nan 0.000 0.444 76 T N 0.436 114.903 114.554 -0.145 0.000 2.771 76 T HA 0.403 4.744 4.350 -0.014 0.000 0.281 76 T C -0.121 174.344 174.700 -0.392 0.000 0.982 76 T CA -0.687 61.269 62.100 -0.241 0.000 0.978 76 T CB 1.210 69.959 68.868 -0.197 0.000 0.930 76 T HN -0.030 nan 8.240 nan 0.000 0.447 77 V N 3.580 123.055 119.914 -0.732 0.000 2.370 77 V HA 0.410 4.522 4.120 -0.014 0.000 0.279 77 V C 0.249 175.762 176.094 -0.967 0.000 1.029 77 V CA -0.616 61.118 62.300 -0.943 0.000 0.870 77 V CB 1.261 32.141 31.823 -1.572 0.000 0.984 77 V HN 0.849 nan 8.190 nan 0.000 0.451 78 E N 3.576 123.439 120.200 -0.562 0.000 2.176 78 E HA 0.672 5.013 4.350 -0.014 0.000 0.267 78 E C -1.752 174.663 176.600 -0.308 0.000 0.893 78 E CA -0.424 55.728 56.400 -0.412 0.000 0.761 78 E CB 2.124 31.662 29.700 -0.269 0.000 1.133 78 E HN 0.494 nan 8.360 nan 0.000 0.409 79 V N 3.491 123.238 119.914 -0.278 0.000 2.577 79 V HA 0.295 4.406 4.120 -0.014 0.000 0.303 79 V C -0.447 175.602 176.094 -0.075 0.000 1.042 79 V CA -0.731 61.415 62.300 -0.256 0.000 0.872 79 V CB 2.191 33.724 31.823 -0.483 0.000 0.998 79 V HN 0.708 nan 8.190 nan 0.000 0.423 80 T N 4.484 118.985 114.554 -0.088 0.000 2.781 80 T HA 0.402 4.744 4.350 -0.014 0.000 0.305 80 T C -0.162 174.570 174.700 0.053 0.000 1.001 80 T CA -0.237 61.869 62.100 0.010 0.000 0.950 80 T CB 0.989 69.859 68.868 0.004 0.000 0.955 80 T HN 0.347 nan 8.240 nan 0.000 0.471 81 V N 6.158 126.159 119.914 0.145 0.000 2.348 81 V HA 0.378 4.489 4.120 -0.014 0.000 0.270 81 V C 0.192 176.373 176.094 0.144 0.000 1.037 81 V CA -0.626 61.802 62.300 0.214 0.000 0.872 81 V CB 0.281 32.309 31.823 0.342 0.000 1.002 81 V HN 0.786 nan 8.190 nan 0.000 0.464 82 I N 4.567 125.216 120.570 0.133 0.000 2.336 82 I HA 0.360 4.521 4.170 -0.014 0.000 0.292 82 I C 0.171 176.327 176.117 0.064 0.000 0.991 82 I CA -0.346 61.001 61.300 0.078 0.000 1.227 82 I CB 1.400 39.442 38.000 0.071 0.000 1.366 82 I HN 0.455 nan 8.210 nan 0.000 0.466 83 N N 6.001 124.713 118.700 0.019 0.000 2.500 83 N HA 0.184 4.916 4.740 -0.014 0.000 0.236 83 N C -0.251 175.240 175.510 -0.031 0.000 1.022 83 N CA -0.080 52.959 53.050 -0.018 0.000 0.935 83 N CB 0.368 38.812 38.487 -0.071 0.000 1.147 83 N HN 0.437 nan 8.380 nan 0.000 0.512 84 N N 3.299 121.991 118.700 -0.013 0.000 2.273 84 N HA 0.158 4.889 4.740 -0.014 0.000 0.231 84 N C -0.004 175.496 175.510 -0.017 0.000 1.134 84 N CA -0.086 52.956 53.050 -0.012 0.000 0.856 84 N CB 0.603 39.095 38.487 0.008 0.000 1.068 84 N HN 0.480 nan 8.380 nan 0.000 0.510 85 L N -0.172 121.029 121.223 -0.035 0.000 2.476 85 L HA 0.159 4.490 4.340 -0.014 0.000 0.255 85 L C 1.889 178.748 176.870 -0.017 0.000 1.218 85 L CA -0.401 54.425 54.840 -0.023 0.000 0.819 85 L CB 0.589 42.624 42.059 -0.039 0.000 1.119 85 L HN -0.168 nan 8.230 nan 0.000 0.485 86 V N -0.542 119.388 119.914 0.027 0.000 2.256 86 V HA -0.159 3.952 4.120 -0.014 0.000 0.240 86 V C 2.029 178.161 176.094 0.063 0.000 1.036 86 V CA 2.242 64.571 62.300 0.048 0.000 1.008 86 V CB -0.639 31.235 31.823 0.084 0.000 0.648 86 V HN 1.084 nan 8.190 nan 0.000 0.453 87 T N -3.511 111.124 114.554 0.136 0.000 3.056 87 T HA 0.125 4.467 4.350 -0.014 0.000 0.241 87 T C 0.807 175.652 174.700 0.242 0.000 1.006 87 T CA -0.111 62.136 62.100 0.244 0.000 1.115 87 T CB -0.517 68.570 68.868 0.364 0.000 0.939 87 T HN 0.362 nan 8.240 nan 0.000 0.462 88 N N 1.746 120.539 118.700 0.155 0.000 2.454 88 N HA 0.373 5.105 4.740 -0.014 0.000 0.254 88 N C 0.330 175.578 175.510 -0.437 0.000 1.228 88 N CA 0.022 53.039 53.050 -0.055 0.000 0.900 88 N CB 0.628 39.072 38.487 -0.072 0.000 1.089 88 N HN 0.539 nan 8.380 nan 0.000 0.449 89 G N 0.007 108.112 108.800 -1.158 0.000 2.535 89 G HA2 0.471 4.423 3.960 -0.014 0.000 0.303 89 G HA3 0.471 4.423 3.960 -0.014 0.000 0.303 89 G C -0.379 173.669 174.900 -1.420 0.000 1.237 89 G CA -0.063 44.358 45.100 -1.132 0.000 0.986 89 G HN 0.458 nan 8.290 nan 0.000 0.494 90 T N -2.140 111.932 114.554 -0.804 0.000 2.693 90 T HA 0.648 4.989 4.350 -0.014 0.000 0.304 90 T C -1.037 173.557 174.700 -0.177 0.000 1.471 90 T CA 0.312 62.170 62.100 -0.403 0.000 0.993 90 T CB 1.191 69.931 68.868 -0.214 0.000 1.554 90 T HN 1.729 nan 8.240 nan 0.000 0.496 91 S N 0.717 116.403 115.700 -0.024 0.000 2.611 91 S HA 0.685 5.146 4.470 -0.014 0.000 0.270 91 S C -2.231 172.348 174.600 -0.034 0.000 1.131 91 S CA -0.934 57.318 58.200 0.087 0.000 0.826 91 S CB 1.054 64.311 63.200 0.095 0.000 1.095 91 S HN 0.657 nan 8.310 nan 0.000 0.461 92 I N 2.597 123.011 120.570 -0.260 0.000 2.468 92 I HA 0.382 4.544 4.170 -0.014 0.000 0.285 92 I C -0.569 174.876 176.117 -1.121 0.000 1.039 92 I CA -0.205 60.696 61.300 -0.664 0.000 1.074 92 I CB 1.226 38.756 38.000 -0.784 0.000 1.228 92 I HN 1.016 nan 8.210 nan 0.000 0.436 93 H N 6.158 124.640 119.070 -0.979 0.000 2.527 93 H HA 0.352 4.899 4.556 -0.014 0.000 0.321 93 H C -1.335 173.333 175.328 -1.100 0.000 1.087 93 H CA -0.217 55.277 56.048 -0.923 0.000 1.337 93 H CB 0.692 30.095 29.762 -0.598 0.000 1.440 93 H HN 0.385 nan 8.280 nan 0.000 0.490 94 W N 5.464 126.133 121.300 -1.052 0.000 2.292 94 W HA 0.197 4.848 4.660 -0.014 0.000 0.352 94 W C -0.009 175.841 176.519 -1.115 0.000 0.962 94 W CA -0.829 55.969 57.345 -0.912 0.000 1.496 94 W CB -0.281 28.581 29.460 -0.997 0.000 1.381 94 W HN 0.671 nan 8.180 nan 0.000 0.363 95 H N 1.733 120.215 119.070 -0.979 0.000 2.848 95 H HA 0.364 4.911 4.556 -0.014 0.000 0.317 95 H C 1.433 176.549 175.328 -0.353 0.000 1.046 95 H CA 1.389 57.027 56.048 -0.684 0.000 1.470 95 H CB 0.577 29.750 29.762 -0.981 0.000 1.483 95 H HN 0.788 nan 8.280 nan 0.000 0.548 96 G N 4.209 113.024 108.800 0.026 0.000 2.284 96 G HA2 -0.285 3.667 3.960 -0.014 0.000 0.230 96 G HA3 -0.285 3.667 3.960 -0.014 0.000 0.230 96 G C -0.006 174.810 174.900 -0.140 0.000 1.021 96 G CA 0.076 45.189 45.100 0.021 0.000 0.619 96 G HN 0.576 nan 8.290 nan 0.000 0.510 97 I N 2.204 122.626 120.570 -0.246 0.000 2.363 97 I HA 0.299 4.461 4.170 -0.014 0.000 0.292 97 I C 1.508 177.524 176.117 -0.169 0.000 1.075 97 I CA -0.171 60.925 61.300 -0.340 0.000 1.333 97 I CB 0.645 38.219 38.000 -0.710 0.000 1.415 97 I HN 0.282 nan 8.210 nan 0.000 0.502 98 H N 4.508 123.443 119.070 -0.224 0.000 2.422 98 H HA -0.127 4.420 4.556 -0.014 0.000 0.298 98 H C 0.236 175.411 175.328 -0.256 0.000 1.098 98 H CA 0.363 56.239 56.048 -0.287 0.000 1.315 98 H CB 0.176 29.802 29.762 -0.225 0.000 1.382 98 H HN 0.514 nan 8.280 nan 0.000 0.523 99 Q N 0.486 120.308 119.800 0.037 0.000 2.460 99 Q HA -0.167 4.165 4.340 -0.014 0.000 0.311 99 Q C -0.333 175.790 176.000 0.205 0.000 1.396 99 Q CA 0.352 56.251 55.803 0.160 0.000 0.838 99 Q CB -1.394 27.546 28.738 0.337 0.000 1.140 99 Q HN 0.329 nan 8.270 nan 0.000 0.415 100 K N 2.074 122.553 120.400 0.132 0.000 2.366 100 K HA -0.034 4.277 4.320 -0.014 0.000 0.279 100 K C 0.304 176.994 176.600 0.150 0.000 1.098 100 K CA 0.741 57.099 56.287 0.117 0.000 1.087 100 K CB 0.063 32.626 32.500 0.105 0.000 0.901 100 K HN 0.227 nan 8.250 nan 0.000 0.463 101 D N 1.760 122.266 120.400 0.178 0.000 3.076 101 D HA -0.172 4.459 4.640 -0.014 0.000 0.218 101 D C -0.473 175.933 176.300 0.177 0.000 1.156 101 D CA 1.784 55.880 54.000 0.160 0.000 0.921 101 D CB -1.277 39.590 40.800 0.111 0.000 1.113 101 D HN 0.690 nan 8.370 nan 0.000 0.418 102 T N -2.718 111.980 114.554 0.240 0.000 3.483 102 T HA 0.212 4.554 4.350 -0.014 0.000 0.258 102 T C 0.892 175.797 174.700 0.340 0.000 1.013 102 T CA -0.315 61.968 62.100 0.306 0.000 1.078 102 T CB 0.228 69.270 68.868 0.289 0.000 1.111 102 T HN 0.155 nan 8.240 nan 0.000 0.538 103 N N 0.647 119.469 118.700 0.203 0.000 2.137 103 N HA -0.113 4.619 4.740 -0.014 0.000 0.190 103 N C 1.052 176.549 175.510 -0.021 0.000 1.017 103 N CA 0.962 54.001 53.050 -0.018 0.000 0.859 103 N CB -0.088 38.198 38.487 -0.336 0.000 1.002 103 N HN 0.340 nan 8.380 nan 0.000 0.428 104 L N 0.402 121.619 121.223 -0.010 0.000 2.622 104 L HA -0.040 4.292 4.340 -0.014 0.000 0.233 104 L C 1.285 178.105 176.870 -0.082 0.000 1.156 104 L CA 0.907 55.701 54.840 -0.078 0.000 0.866 104 L CB -0.371 41.593 42.059 -0.159 0.000 0.980 104 L HN 0.294 nan 8.230 nan 0.000 0.448 105 H N -2.609 116.617 119.070 0.261 0.000 2.652 105 H HA 0.101 4.649 4.556 -0.014 0.000 0.274 105 H C 1.032 176.711 175.328 0.585 0.000 1.021 105 H CA 0.154 56.485 56.048 0.472 0.000 1.187 105 H CB 0.455 30.469 29.762 0.420 0.000 1.505 105 H HN 0.275 nan 8.280 nan 0.000 0.530 106 D N 0.580 121.275 120.400 0.491 0.000 2.219 106 D HA -0.068 4.564 4.640 -0.014 0.000 0.205 106 D C 1.856 178.405 176.300 0.415 0.000 0.970 106 D CA 1.357 55.646 54.000 0.481 0.000 0.851 106 D CB 0.072 41.129 40.800 0.429 0.000 0.943 106 D HN 0.548 nan 8.370 nan 0.000 0.488 107 G N -0.819 108.192 108.800 0.352 0.000 2.159 107 G HA2 -0.238 3.713 3.960 -0.014 0.000 0.256 107 G HA3 -0.238 3.713 3.960 -0.014 0.000 0.256 107 G C 0.395 175.313 174.900 0.030 0.000 0.977 107 G CA 0.359 45.584 45.100 0.209 0.000 0.652 107 G HN 0.692 nan 8.290 nan 0.000 0.531 108 A N 0.636 123.414 122.820 -0.070 0.000 2.376 108 A HA 0.565 4.877 4.320 -0.014 0.000 0.298 108 A C 0.568 178.104 177.584 -0.080 0.000 1.271 108 A CA -0.361 51.511 52.037 -0.276 0.000 0.926 108 A CB 0.093 18.854 19.000 -0.398 0.000 1.141 108 A HN 0.343 nan 8.150 nan 0.000 0.539 109 N N 1.541 120.245 118.700 0.008 0.000 2.483 109 N HA 0.275 5.006 4.740 -0.014 0.000 0.264 109 N C 1.263 176.866 175.510 0.154 0.000 1.197 109 N CA 1.514 54.604 53.050 0.067 0.000 0.927 109 N CB 1.046 39.568 38.487 0.058 0.000 1.065 109 N HN 1.112 nan 8.380 nan 0.000 0.461 110 G N 0.150 109.047 108.800 0.163 0.000 2.162 110 G HA2 -0.266 3.686 3.960 -0.014 0.000 0.260 110 G HA3 -0.266 3.686 3.960 -0.014 0.000 0.260 110 G C 0.555 175.504 174.900 0.083 0.000 0.976 110 G CA 0.584 45.783 45.100 0.166 0.000 0.655 110 G HN 0.453 nan 8.290 nan 0.000 0.533 111 V N -0.483 119.454 119.914 0.039 0.000 3.449 111 V HA 0.197 4.309 4.120 -0.014 0.000 0.208 111 V C 2.411 178.498 176.094 -0.011 0.000 1.269 111 V CA 2.300 64.579 62.300 -0.035 0.000 1.301 111 V CB 0.034 31.768 31.823 -0.148 0.000 1.306 111 V HN 0.702 nan 8.190 nan 0.000 0.531 112 T N -0.782 113.769 114.554 -0.006 0.000 3.014 112 T HA 0.270 4.612 4.350 -0.014 0.000 0.250 112 T C 0.360 175.193 174.700 0.223 0.000 1.060 112 T CA 0.585 62.698 62.100 0.022 0.000 1.040 112 T CB 0.056 68.903 68.868 -0.035 0.000 0.971 112 T HN 0.744 nan 8.240 nan 0.000 0.497 113 E N -1.005 119.323 120.200 0.213 0.000 2.429 113 E HA 0.529 4.870 4.350 -0.014 0.000 0.280 113 E C -1.625 174.948 176.600 -0.046 0.000 1.068 113 E CA -1.223 55.264 56.400 0.145 0.000 0.837 113 E CB 0.720 30.454 29.700 0.057 0.000 1.357 113 E HN 0.064 nan 8.360 nan 0.000 0.455 114 c N 1.304 119.755 118.600 -0.249 0.000 2.398 114 c HA 0.538 5.099 4.570 -0.014 0.000 0.364 114 c C -2.212 171.594 174.090 -0.473 0.000 1.219 114 c CA -1.144 54.984 56.329 -0.335 0.000 2.312 114 c CB 0.363 42.711 42.510 -0.271 0.000 2.428 114 c HN 0.599 nan 8.230 nan 0.000 0.564 115 P HA 0.183 nan 4.420 nan 0.000 0.268 115 P C -0.626 176.305 177.300 -0.615 0.000 1.205 115 P CA 0.213 62.759 63.100 -0.923 0.000 0.771 115 P CB 0.213 30.895 31.700 -1.695 0.000 0.858 116 I N 5.548 125.911 120.570 -0.346 0.000 2.587 116 I HA 0.083 4.244 4.170 -0.014 0.000 0.284 116 I C -1.570 174.477 176.117 -0.117 0.000 1.134 116 I CA -1.746 59.460 61.300 -0.156 0.000 1.410 116 I CB 0.056 38.000 38.000 -0.093 0.000 1.392 116 I HN 0.206 nan 8.210 nan 0.000 0.545 117 P HA 0.136 nan 4.420 nan 0.000 0.269 117 P C -2.555 174.649 177.300 -0.160 0.000 1.215 117 P CA -1.130 62.014 63.100 0.074 0.000 0.780 117 P CB 0.091 31.873 31.700 0.137 0.000 0.898 118 P HA 0.075 nan 4.420 nan 0.000 0.297 118 P C -0.313 176.859 177.300 -0.212 0.000 1.303 118 P CA -0.211 62.713 63.100 -0.294 0.000 0.753 118 P CB 0.250 31.735 31.700 -0.357 0.000 1.281 119 K N -1.589 118.737 120.400 -0.123 0.000 3.071 119 K HA -0.169 4.142 4.320 -0.014 0.000 0.265 119 K C 0.765 177.346 176.600 -0.031 0.000 1.060 119 K CA 0.674 56.928 56.287 -0.056 0.000 0.767 119 K CB -2.440 30.040 32.500 -0.034 0.000 1.241 119 K HN 1.002 nan 8.250 nan 0.000 0.486 120 G N -1.464 107.317 108.800 -0.031 0.000 2.159 120 G HA2 -0.138 3.813 3.960 -0.014 0.000 0.170 120 G HA3 -0.138 3.813 3.960 -0.014 0.000 0.170 120 G C 0.275 175.170 174.900 -0.010 0.000 1.007 120 G CA -0.339 44.755 45.100 -0.010 0.000 0.672 120 G HN 0.691 nan 8.290 nan 0.000 0.507 121 G N 0.146 108.930 108.800 -0.026 0.000 2.406 121 G HA2 0.599 4.550 3.960 -0.014 0.000 0.251 121 G HA3 0.599 4.550 3.960 -0.014 0.000 0.251 121 G C 0.101 174.997 174.900 -0.008 0.000 1.271 121 G CA 0.698 45.787 45.100 -0.017 0.000 0.859 121 G HN 1.029 nan 8.290 nan 0.000 0.540 122 Q N 0.684 120.482 119.800 -0.004 0.000 2.484 122 Q HA 0.813 5.144 4.340 -0.014 0.000 0.285 122 Q C -0.859 175.126 176.000 -0.025 0.000 1.097 122 Q CA -1.285 54.518 55.803 0.000 0.000 0.802 122 Q CB 2.674 31.418 28.738 0.010 0.000 1.444 122 Q HN 0.493 nan 8.270 nan 0.000 0.429 123 R N 0.468 120.950 120.500 -0.030 0.000 2.644 123 R HA 0.347 4.678 4.340 -0.014 0.000 0.257 123 R C -1.731 174.512 176.300 -0.095 0.000 1.082 123 R CA -0.226 55.810 56.100 -0.107 0.000 0.927 123 R CB 2.614 32.785 30.300 -0.214 0.000 1.258 123 R HN 0.901 nan 8.270 nan 0.000 0.459 124 T N 3.780 118.266 114.554 -0.113 0.000 2.779 124 T HA 0.456 4.797 4.350 -0.014 0.000 0.280 124 T C -0.998 173.685 174.700 -0.029 0.000 0.987 124 T CA -0.257 61.822 62.100 -0.035 0.000 0.966 124 T CB 0.510 69.367 68.868 -0.019 0.000 0.933 124 T HN 0.270 nan 8.240 nan 0.000 0.442 125 Y N 2.033 122.403 120.300 0.116 0.000 2.342 125 Y HA 0.601 5.142 4.550 -0.014 0.000 0.334 125 Y C 0.762 176.606 175.900 -0.094 0.000 1.067 125 Y CA -0.873 57.366 58.100 0.231 0.000 1.128 125 Y CB 1.276 39.943 38.460 0.345 0.000 1.200 125 Y HN 0.401 nan 8.280 nan 0.000 0.464 126 R N 5.226 125.676 120.500 -0.083 0.000 2.515 126 R HA 0.367 4.699 4.340 -0.014 0.000 0.291 126 R C -2.131 173.897 176.300 -0.454 0.000 1.046 126 R CA -0.573 55.294 56.100 -0.388 0.000 0.914 126 R CB 1.173 31.307 30.300 -0.277 0.000 1.191 126 R HN 0.881 nan 8.270 nan 0.000 0.435 127 W N 3.068 124.119 121.300 -0.415 0.000 3.256 127 W HA 0.465 5.117 4.660 -0.014 0.000 0.324 127 W C -1.451 174.943 176.519 -0.209 0.000 1.196 127 W CA -1.226 55.927 57.345 -0.321 0.000 1.206 127 W CB 0.600 29.866 29.460 -0.324 0.000 1.385 127 W HN 0.424 nan 8.180 nan 0.000 0.522 128 R N 2.050 122.645 120.500 0.158 0.000 2.390 128 R HA 0.513 4.844 4.340 -0.014 0.000 0.291 128 R C 0.172 176.628 176.300 0.259 0.000 1.070 128 R CA 0.031 56.196 56.100 0.109 0.000 1.014 128 R CB 1.231 31.577 30.300 0.077 0.000 1.007 128 R HN 0.560 nan 8.270 nan 0.000 0.466 129 A N 5.518 128.455 122.820 0.196 0.000 3.037 129 A HA 0.154 4.465 4.320 -0.014 0.000 0.272 129 A C 0.405 178.171 177.584 0.304 0.000 1.723 129 A CA -0.224 51.977 52.037 0.274 0.000 1.413 129 A CB -0.337 18.790 19.000 0.213 0.000 1.112 129 A HN 0.864 nan 8.150 nan 0.000 0.606 130 R N 0.072 120.726 120.500 0.256 0.000 2.313 130 R HA 0.058 4.389 4.340 -0.014 0.000 0.199 130 R C 0.350 176.824 176.300 0.289 0.000 0.958 130 R CA 0.506 56.793 56.100 0.312 0.000 1.047 130 R CB 0.244 30.677 30.300 0.222 0.000 0.955 130 R HN 0.782 nan 8.270 nan 0.000 0.481 131 Q N -0.021 119.805 119.800 0.043 0.000 2.389 131 Q HA 0.284 4.616 4.340 -0.014 0.000 0.277 131 Q C -1.747 174.011 176.000 -0.404 0.000 1.082 131 Q CA -1.003 54.597 55.803 -0.339 0.000 0.810 131 Q CB 2.048 30.510 28.738 -0.459 0.000 1.374 131 Q HN 0.074 nan 8.270 nan 0.000 0.422 132 Y N -0.003 119.842 120.300 -0.758 0.000 2.468 132 Y HA 0.952 5.493 4.550 -0.014 0.000 0.342 132 Y C 0.227 175.827 175.900 -0.501 0.000 1.021 132 Y CA -0.135 57.582 58.100 -0.637 0.000 1.079 132 Y CB 1.717 39.626 38.460 -0.919 0.000 1.226 132 Y HN 0.773 nan 8.280 nan 0.000 0.460 133 G N 0.722 109.396 108.800 -0.210 0.000 2.270 133 G HA2 0.258 4.210 3.960 -0.014 0.000 0.268 133 G HA3 0.258 4.210 3.960 -0.014 0.000 0.268 133 G C -1.407 173.425 174.900 -0.113 0.000 1.312 133 G CA -0.587 44.398 45.100 -0.190 0.000 1.050 133 G HN 0.780 nan 8.290 nan 0.000 0.474 134 T N 0.420 114.910 114.554 -0.108 0.000 2.867 134 T HA 0.826 5.168 4.350 -0.014 0.000 0.282 134 T C 0.027 174.694 174.700 -0.054 0.000 1.000 134 T CA 0.226 62.291 62.100 -0.059 0.000 1.042 134 T CB 1.598 70.431 68.868 -0.057 0.000 0.973 134 T HN 0.861 nan 8.240 nan 0.000 0.465 135 S N 0.741 116.450 115.700 0.014 0.000 2.790 135 S HA 0.812 5.273 4.470 -0.014 0.000 0.292 135 S C -1.825 172.897 174.600 0.203 0.000 1.197 135 S CA -0.927 57.321 58.200 0.080 0.000 0.851 135 S CB 1.261 64.482 63.200 0.034 0.000 1.217 135 S HN 0.825 nan 8.310 nan 0.000 0.526 136 W N 0.871 122.089 121.300 -0.137 0.000 3.025 136 W HA 0.696 5.347 4.660 -0.015 0.000 0.343 136 W C -2.432 174.069 176.519 -0.030 0.000 1.246 136 W CA -1.152 56.103 57.345 -0.151 0.000 1.178 136 W CB -0.089 29.193 29.460 -0.298 0.000 1.463 136 W HN 0.757 nan 8.180 nan 0.000 0.578 137 Y N 0.178 120.465 120.300 -0.021 0.000 2.545 137 Y HA 0.801 5.342 4.550 -0.014 0.000 0.348 137 Y C -0.759 174.981 175.900 -0.267 0.000 1.002 137 Y CA -1.348 56.538 58.100 -0.357 0.000 1.039 137 Y CB 1.624 39.907 38.460 -0.295 0.000 1.271 137 Y HN 0.771 nan 8.280 nan 0.000 0.467 138 H N -1.366 117.475 119.070 -0.383 0.000 3.003 138 H HA 0.567 5.114 4.556 -0.014 0.000 0.327 138 H C -1.309 173.906 175.328 -0.188 0.000 1.353 138 H CA -1.019 54.865 56.048 -0.273 0.000 1.142 138 H CB 1.127 30.552 29.762 -0.562 0.000 1.864 138 H HN 0.791 nan 8.280 nan 0.000 0.529 139 S N -0.446 115.275 115.700 0.035 0.000 2.579 139 S HA 0.041 4.503 4.470 -0.014 0.000 0.275 139 S C -0.006 174.630 174.600 0.059 0.000 1.345 139 S CA -0.313 57.920 58.200 0.055 0.000 1.031 139 S CB 0.090 63.402 63.200 0.187 0.000 0.892 139 S HN 0.816 nan 8.310 nan 0.000 0.529 140 H N 3.042 122.124 119.070 0.020 0.000 2.662 140 H HA 0.224 4.771 4.556 -0.014 0.000 0.268 140 H C -0.972 174.435 175.328 0.131 0.000 1.152 140 H CA -0.232 55.843 56.048 0.044 0.000 1.072 140 H CB 0.029 29.751 29.762 -0.066 0.000 1.660 140 H HN 0.595 nan 8.280 nan 0.000 0.584 141 F N 1.986 121.956 119.950 0.034 0.000 2.451 141 F HA 0.232 4.751 4.527 -0.013 0.000 0.356 141 F C 0.767 176.647 175.800 0.135 0.000 1.178 141 F CA 0.090 58.091 58.000 0.002 0.000 1.210 141 F CB -0.246 38.666 39.000 -0.146 0.000 1.504 141 F HN 0.079 nan 8.300 nan 0.000 0.598 142 S N 2.071 117.792 115.700 0.035 0.000 4.064 142 S HA -0.318 4.144 4.470 -0.014 0.000 0.625 142 S C 0.912 175.574 174.600 0.104 0.000 2.010 142 S CA 0.857 59.095 58.200 0.063 0.000 4.186 142 S CB -1.429 61.813 63.200 0.071 0.000 0.211 142 S HN 0.989 nan 8.310 nan 0.000 0.605 143 A N 0.854 123.757 122.820 0.139 0.000 2.460 143 A HA 0.350 4.661 4.320 -0.014 0.000 0.258 143 A C 1.525 179.167 177.584 0.098 0.000 1.300 143 A CA 1.023 53.115 52.037 0.091 0.000 0.913 143 A CB -0.340 18.741 19.000 0.135 0.000 1.031 143 A HN 0.575 nan 8.150 nan 0.000 0.512 144 Q N -0.407 119.523 119.800 0.215 0.000 2.217 144 Q HA -0.279 4.052 4.340 -0.014 0.000 0.209 144 Q C 1.610 177.733 176.000 0.205 0.000 0.988 144 Q CA 2.423 58.366 55.803 0.234 0.000 0.878 144 Q CB -0.414 28.516 28.738 0.321 0.000 0.909 144 Q HN 0.986 nan 8.270 nan 0.000 0.424 145 Y N -2.200 118.181 120.300 0.135 0.000 2.483 145 Y HA 0.094 4.636 4.550 -0.014 0.000 0.291 145 Y C 1.742 177.716 175.900 0.124 0.000 1.143 145 Y CA 0.970 59.153 58.100 0.137 0.000 1.289 145 Y CB -0.785 37.797 38.460 0.203 0.000 0.983 145 Y HN 0.021 nan 8.280 nan 0.000 0.556 146 G N 0.668 109.303 108.800 -0.275 0.000 2.598 146 G HA2 -0.203 3.749 3.960 -0.014 0.000 0.215 146 G HA3 -0.203 3.749 3.960 -0.014 0.000 0.215 146 G C 1.241 176.166 174.900 0.042 0.000 1.131 146 G CA 0.565 45.548 45.100 -0.195 0.000 0.785 146 G HN 0.425 nan 8.290 nan 0.000 0.539 147 N N 0.315 119.054 118.700 0.065 0.000 2.353 147 N HA 0.121 4.852 4.740 -0.014 0.000 0.185 147 N C 1.550 177.087 175.510 0.045 0.000 1.098 147 N CA 0.916 54.010 53.050 0.074 0.000 0.872 147 N CB 0.711 39.238 38.487 0.067 0.000 0.970 147 N HN 0.405 nan 8.380 nan 0.000 0.467 148 G N -0.416 108.426 108.800 0.070 0.000 2.198 148 G HA2 -0.209 3.743 3.960 -0.014 0.000 0.156 148 G HA3 -0.209 3.743 3.960 -0.014 0.000 0.156 148 G C -0.085 174.836 174.900 0.035 0.000 1.012 148 G CA -0.211 44.909 45.100 0.034 0.000 0.692 148 G HN 0.115 nan 8.290 nan 0.000 0.492 149 V N 1.524 121.499 119.914 0.101 0.000 2.052 149 V HA 0.510 4.622 4.120 -0.014 0.000 0.281 149 V C 0.616 176.804 176.094 0.156 0.000 1.668 149 V CA -0.190 62.171 62.300 0.101 0.000 1.621 149 V CB 0.195 32.089 31.823 0.118 0.000 1.488 149 V HN 0.318 nan 8.190 nan 0.000 0.513 150 V N 0.475 120.442 119.914 0.087 0.000 3.126 150 V HA 1.059 5.170 4.120 -0.014 0.000 0.314 150 V C 0.440 176.376 176.094 -0.264 0.000 1.138 150 V CA -0.208 62.112 62.300 0.033 0.000 1.034 150 V CB 2.076 34.001 31.823 0.170 0.000 1.075 150 V HN 0.650 nan 8.190 nan 0.000 0.442 151 G N 0.226 108.647 108.800 -0.632 0.000 2.451 151 G HA2 0.605 4.556 3.960 -0.014 0.000 0.292 151 G HA3 0.605 4.556 3.960 -0.014 0.000 0.292 151 G C -0.890 173.504 174.900 -0.845 0.000 1.427 151 G CA 0.109 44.655 45.100 -0.924 0.000 0.792 151 G HN 0.988 nan 8.290 nan 0.000 0.498 152 T N -1.764 112.559 114.554 -0.384 0.000 2.925 152 T HA 0.800 5.141 4.350 -0.014 0.000 0.285 152 T C -0.313 174.494 174.700 0.179 0.000 1.021 152 T CA -0.692 61.370 62.100 -0.064 0.000 1.042 152 T CB 1.701 70.552 68.868 -0.028 0.000 1.037 152 T HN 0.540 nan 8.240 nan 0.000 0.481 153 I N 1.446 122.150 120.570 0.223 0.000 2.465 153 I HA 0.410 4.571 4.170 -0.014 0.000 0.291 153 I C -0.367 175.847 176.117 0.162 0.000 1.014 153 I CA -0.725 60.743 61.300 0.281 0.000 1.093 153 I CB 2.243 40.472 38.000 0.381 0.000 1.267 153 I HN 0.675 nan 8.210 nan 0.000 0.431 154 Q N 6.869 126.757 119.800 0.146 0.000 2.397 154 Q HA 0.423 4.755 4.340 -0.014 0.000 0.260 154 Q C -1.590 174.474 176.000 0.107 0.000 1.002 154 Q CA -0.604 55.257 55.803 0.097 0.000 0.716 154 Q CB 1.361 30.148 28.738 0.082 0.000 1.258 154 Q HN 0.498 nan 8.270 nan 0.000 0.477 155 I N 3.672 124.292 120.570 0.083 0.000 2.306 155 I HA 0.256 4.418 4.170 -0.014 0.000 0.288 155 I C -0.042 176.094 176.117 0.032 0.000 1.036 155 I CA -0.591 60.761 61.300 0.086 0.000 1.221 155 I CB 0.625 38.680 38.000 0.092 0.000 1.385 155 I HN 0.565 nan 8.210 nan 0.000 0.472 156 N N 4.740 123.476 118.700 0.060 0.000 2.492 156 N HA 0.489 5.221 4.740 -0.014 0.000 0.262 156 N C 0.437 175.705 175.510 -0.403 0.000 1.202 156 N CA 0.300 53.345 53.050 -0.009 0.000 0.926 156 N CB 1.842 40.457 38.487 0.213 0.000 1.078 156 N HN 0.882 nan 8.380 nan 0.000 0.454 157 G N 1.201 109.544 108.800 -0.761 0.000 2.561 157 G HA2 0.406 4.358 3.960 -0.014 0.000 0.310 157 G HA3 0.406 4.358 3.960 -0.014 0.000 0.310 157 G C -3.119 171.146 174.900 -1.059 0.000 1.292 157 G CA -0.580 43.524 45.100 -1.659 0.000 0.811 157 G HN 0.313 nan 8.290 nan 0.000 0.482 158 P HA 0.555 nan 4.420 nan 0.000 0.276 158 P C -0.467 176.780 177.300 -0.088 0.000 1.252 158 P CA 0.071 63.010 63.100 -0.268 0.000 0.802 158 P CB 1.874 33.483 31.700 -0.151 0.000 1.035 159 A N 0.449 123.322 122.820 0.089 0.000 2.435 159 A HA 0.519 4.831 4.320 -0.014 0.000 0.296 159 A C 0.857 178.530 177.584 0.148 0.000 1.147 159 A CA -0.187 51.955 52.037 0.175 0.000 0.775 159 A CB 0.621 19.832 19.000 0.352 0.000 1.340 159 A HN 0.487 nan 8.150 nan 0.000 0.427 160 S N -0.899 114.887 115.700 0.144 0.000 2.575 160 S HA 0.443 4.905 4.470 -0.014 0.000 0.215 160 S C -0.096 174.570 174.600 0.110 0.000 0.966 160 S CA 0.272 58.542 58.200 0.116 0.000 0.911 160 S CB -0.535 62.725 63.200 0.101 0.000 0.780 160 S HN 0.876 nan 8.310 nan 0.000 0.514 161 L N 1.655 122.961 121.223 0.139 0.000 2.545 161 L HA 0.547 4.879 4.340 -0.014 0.000 0.258 161 L C -2.784 174.177 176.870 0.152 0.000 0.942 161 L CA -1.652 53.265 54.840 0.129 0.000 0.855 161 L CB 2.090 44.227 42.059 0.130 0.000 1.374 161 L HN -0.158 nan 8.230 nan 0.000 0.411 162 P HA 0.312 nan 4.420 nan 0.000 0.275 162 P C -1.883 175.461 177.300 0.073 0.000 1.227 162 P CA 0.143 63.234 63.100 -0.015 0.000 0.781 162 P CB 0.573 32.260 31.700 -0.022 0.000 0.906 163 Y N -1.158 119.146 120.300 0.005 0.000 2.609 163 Y HA 0.447 4.989 4.550 -0.014 0.000 0.336 163 Y C 0.252 176.129 175.900 -0.038 0.000 1.129 163 Y CA -0.942 57.147 58.100 -0.018 0.000 1.040 163 Y CB 0.407 38.861 38.460 -0.009 0.000 1.310 163 Y HN 0.154 nan 8.280 nan 0.000 0.460 164 D N 1.086 121.542 120.400 0.093 0.000 2.414 164 D HA 0.203 4.834 4.640 -0.014 0.000 0.237 164 D C 0.096 176.426 176.300 0.051 0.000 0.975 164 D CA 1.110 55.105 54.000 -0.008 0.000 0.917 164 D CB 1.028 41.778 40.800 -0.083 0.000 1.061 164 D HN 0.437 nan 8.370 nan 0.000 0.480 165 I N 1.201 121.789 120.570 0.030 0.000 2.493 165 I HA 0.162 4.324 4.170 -0.014 0.000 0.298 165 I C -0.532 175.646 176.117 0.102 0.000 0.998 165 I CA -0.754 60.565 61.300 0.032 0.000 1.137 165 I CB 2.364 40.303 38.000 -0.102 0.000 1.310 165 I HN -0.250 nan 8.210 nan 0.000 0.445 166 D N 6.313 126.774 120.400 0.102 0.000 2.460 166 D HA 0.275 4.906 4.640 -0.014 0.000 0.232 166 D C 0.648 176.946 176.300 -0.003 0.000 1.079 166 D CA -0.297 53.713 54.000 0.017 0.000 0.864 166 D CB 1.285 42.148 40.800 0.105 0.000 1.048 166 D HN 0.449 nan 8.370 nan 0.000 0.523 167 L N 2.911 124.107 121.223 -0.044 0.000 2.456 167 L HA 0.115 4.446 4.340 -0.014 0.000 0.224 167 L C 1.625 178.454 176.870 -0.069 0.000 1.148 167 L CA 0.754 55.551 54.840 -0.071 0.000 0.825 167 L CB -0.655 41.312 42.059 -0.155 0.000 0.937 167 L HN 0.685 nan 8.230 nan 0.000 0.450 168 G N -0.358 108.412 108.800 -0.050 0.000 2.568 168 G HA2 -0.230 3.722 3.960 -0.014 0.000 0.222 168 G HA3 -0.230 3.722 3.960 -0.014 0.000 0.222 168 G C -0.267 174.623 174.900 -0.017 0.000 1.321 168 G CA -0.404 44.685 45.100 -0.018 0.000 0.893 168 G HN 0.239 nan 8.290 nan 0.000 0.569 169 V N -2.829 117.095 119.914 0.017 0.000 2.686 169 V HA 0.707 4.818 4.120 -0.014 0.000 0.295 169 V C 0.286 176.456 176.094 0.126 0.000 1.055 169 V CA -0.142 62.181 62.300 0.039 0.000 1.050 169 V CB 1.425 33.258 31.823 0.017 0.000 0.984 169 V HN 1.451 nan 8.190 nan 0.000 0.482 170 F N 6.565 126.441 119.950 -0.124 0.000 2.622 170 F HA 0.534 5.053 4.527 -0.014 0.000 0.338 170 F C -2.409 173.292 175.800 -0.165 0.000 1.334 170 F CA -3.031 54.875 58.000 -0.157 0.000 1.179 170 F CB 1.426 40.318 39.000 -0.180 0.000 1.471 170 F HN 0.474 nan 8.300 nan 0.000 0.576 171 P HA 0.187 nan 4.420 nan 0.000 0.275 171 P C -0.337 176.759 177.300 -0.339 0.000 1.276 171 P CA 0.350 63.293 63.100 -0.262 0.000 0.782 171 P CB 0.757 32.327 31.700 -0.216 0.000 0.851 172 I N 3.088 123.467 120.570 -0.318 0.000 2.321 172 I HA 0.359 4.521 4.170 -0.014 0.000 0.291 172 I C 0.896 176.966 176.117 -0.078 0.000 0.998 172 I CA -0.149 60.959 61.300 -0.320 0.000 1.227 172 I CB 1.577 39.320 38.000 -0.428 0.000 1.368 172 I HN 0.261 nan 8.210 nan 0.000 0.466 173 T N 3.657 118.185 114.554 -0.043 0.000 2.896 173 T HA 0.336 4.677 4.350 -0.014 0.000 0.297 173 T C -1.233 173.593 174.700 0.210 0.000 1.108 173 T CA -0.781 61.391 62.100 0.120 0.000 1.004 173 T CB 1.402 70.278 68.868 0.012 0.000 1.159 173 T HN 0.665 nan 8.240 nan 0.000 0.499 174 D N 1.596 122.142 120.400 0.244 0.000 2.339 174 D HA 0.282 4.914 4.640 -0.014 0.000 0.245 174 D C -1.048 175.294 176.300 0.071 0.000 1.115 174 D CA -0.107 53.970 54.000 0.129 0.000 0.917 174 D CB 0.327 41.145 40.800 0.031 0.000 1.192 174 D HN 0.397 nan 8.370 nan 0.000 0.428 175 Y N 0.932 121.060 120.300 -0.288 0.000 2.338 175 Y HA 0.397 4.938 4.550 -0.014 0.000 0.333 175 Y C -1.781 173.855 175.900 -0.439 0.000 0.968 175 Y CA -1.328 56.657 58.100 -0.192 0.000 1.123 175 Y CB 0.967 39.396 38.460 -0.052 0.000 1.165 175 Y HN 0.340 nan 8.280 nan 0.000 0.452 176 Y N 5.081 125.190 120.300 -0.318 0.000 2.429 176 Y HA 0.282 4.824 4.550 -0.014 0.000 0.342 176 Y C -0.074 175.601 175.900 -0.374 0.000 1.004 176 Y CA -0.782 57.111 58.100 -0.345 0.000 1.075 176 Y CB 1.010 39.401 38.460 -0.114 0.000 1.214 176 Y HN 0.570 nan 8.280 nan 0.000 0.455 177 Y N -0.220 119.990 120.300 -0.151 0.000 2.395 177 Y HA 0.090 4.632 4.550 -0.014 0.000 0.293 177 Y C 1.030 176.896 175.900 -0.057 0.000 1.123 177 Y CA 0.249 58.259 58.100 -0.149 0.000 1.227 177 Y CB -0.043 38.360 38.460 -0.094 0.000 1.012 177 Y HN 0.275 nan 8.280 nan 0.000 0.552 178 R N 0.853 121.419 120.500 0.110 0.000 2.410 178 R HA 0.486 4.817 4.340 -0.014 0.000 0.288 178 R C 0.283 176.598 176.300 0.025 0.000 1.051 178 R CA -0.299 55.820 56.100 0.030 0.000 1.021 178 R CB 0.813 31.075 30.300 -0.063 0.000 1.032 178 R HN 0.100 nan 8.270 nan 0.000 0.481 179 A N 1.718 124.551 122.820 0.022 0.000 2.386 179 A HA 0.337 4.649 4.320 -0.014 0.000 0.246 179 A C 1.341 178.933 177.584 0.014 0.000 1.089 179 A CA 0.513 52.573 52.037 0.037 0.000 0.790 179 A CB 0.173 19.198 19.000 0.042 0.000 1.042 179 A HN 0.848 nan 8.150 nan 0.000 0.497 180 A N 0.146 123.004 122.820 0.063 0.000 1.908 180 A HA -0.157 4.155 4.320 -0.014 0.000 0.218 180 A C 1.567 179.210 177.584 0.098 0.000 1.181 180 A CA 2.022 54.126 52.037 0.112 0.000 0.627 180 A CB -0.587 18.498 19.000 0.143 0.000 0.818 180 A HN 0.825 nan 8.150 nan 0.000 0.445 181 D N -0.182 120.267 120.400 0.083 0.000 2.219 181 D HA -0.099 4.533 4.640 -0.014 0.000 0.205 181 D C 0.884 177.216 176.300 0.053 0.000 0.970 181 D CA 1.115 55.162 54.000 0.079 0.000 0.851 181 D CB -0.226 40.605 40.800 0.053 0.000 0.943 181 D HN 0.403 nan 8.370 nan 0.000 0.488 182 D N 0.230 120.639 120.400 0.015 0.000 2.213 182 D HA 0.006 4.637 4.640 -0.014 0.000 0.205 182 D C 2.294 178.593 176.300 -0.001 0.000 0.961 182 D CA 0.186 54.202 54.000 0.025 0.000 0.853 182 D CB 0.127 40.918 40.800 -0.015 0.000 0.967 182 D HN 0.237 nan 8.370 nan 0.000 0.496 183 L N 0.165 121.296 121.223 -0.152 0.000 2.240 183 L HA -0.045 4.286 4.340 -0.014 0.000 0.211 183 L C 2.377 178.993 176.870 -0.423 0.000 1.106 183 L CA 0.246 54.828 54.840 -0.431 0.000 0.793 183 L CB 0.064 41.600 42.059 -0.872 0.000 0.927 183 L HN -0.111 nan 8.230 nan 0.000 0.446 184 V N -0.682 119.156 119.914 -0.127 0.000 2.379 184 V HA -0.294 3.818 4.120 -0.014 0.000 0.245 184 V C 2.443 178.588 176.094 0.085 0.000 1.044 184 V CA 1.907 64.243 62.300 0.061 0.000 1.036 184 V CB -0.537 31.400 31.823 0.190 0.000 0.664 184 V HN 0.507 nan 8.190 nan 0.000 0.453 185 H N -0.650 118.433 119.070 0.022 0.000 2.389 185 H HA -0.188 4.360 4.556 -0.014 0.000 0.299 185 H C 1.901 177.269 175.328 0.067 0.000 1.081 185 H CA 2.038 58.114 56.048 0.047 0.000 1.345 185 H CB -0.253 29.535 29.762 0.043 0.000 1.393 185 H HN 0.370 nan 8.280 nan 0.000 0.520 186 F N 1.071 120.896 119.950 -0.209 0.000 2.113 186 F HA -0.134 4.387 4.527 -0.011 0.000 0.297 186 F C 2.633 178.326 175.800 -0.178 0.000 1.103 186 F CA 2.060 59.917 58.000 -0.238 0.000 1.248 186 F CB -0.900 37.971 39.000 -0.214 0.000 0.999 186 F HN 0.329 nan 8.300 nan 0.000 0.475 187 T N -2.019 112.439 114.554 -0.160 0.000 3.007 187 T HA -0.181 4.161 4.350 -0.014 0.000 0.270 187 T C 1.756 176.518 174.700 0.103 0.000 1.107 187 T CA 1.281 63.308 62.100 -0.122 0.000 1.118 187 T CB -0.565 68.201 68.868 -0.170 0.000 0.889 187 T HN 0.457 nan 8.240 nan 0.000 0.506 188 Q N 0.739 120.571 119.800 0.054 0.000 2.170 188 Q HA 0.008 4.339 4.340 -0.014 0.000 0.203 188 Q C 1.672 177.711 176.000 0.066 0.000 0.976 188 Q CA 1.060 56.927 55.803 0.108 0.000 0.858 188 Q CB 0.013 28.765 28.738 0.023 0.000 0.907 188 Q HN 0.576 nan 8.270 nan 0.000 0.433 189 N N -0.656 118.009 118.700 -0.058 0.000 2.166 189 N HA 0.120 4.852 4.740 -0.014 0.000 0.213 189 N C -0.539 174.915 175.510 -0.093 0.000 1.222 189 N CA 0.111 53.057 53.050 -0.173 0.000 0.900 189 N CB 0.851 39.195 38.487 -0.238 0.000 1.055 189 N HN 0.128 nan 8.380 nan 0.000 0.515 190 N N 0.210 118.853 118.700 -0.096 0.000 2.321 190 N HA 0.379 5.110 4.740 -0.014 0.000 0.290 190 N C -0.882 174.539 175.510 -0.148 0.000 1.212 190 N CA -0.421 52.481 53.050 -0.246 0.000 0.767 190 N CB 2.335 40.144 38.487 -1.130 0.000 1.494 190 N HN -0.094 nan 8.380 nan 0.000 0.479 191 A N 1.707 124.446 122.820 -0.136 0.000 2.440 191 A HA 0.316 4.628 4.320 -0.014 0.000 0.251 191 A C -1.982 175.575 177.584 -0.044 0.000 1.089 191 A CA -0.829 51.113 52.037 -0.158 0.000 0.779 191 A CB -0.529 18.417 19.000 -0.089 0.000 1.022 191 A HN 0.395 nan 8.150 nan 0.000 0.492 192 P HA 0.113 nan 4.420 nan 0.000 0.262 192 P C -2.390 175.035 177.300 0.210 0.000 1.182 192 P CA -0.381 62.780 63.100 0.102 0.000 0.761 192 P CB -0.124 31.727 31.700 0.251 0.000 0.795 193 P HA 0.266 nan 4.420 nan 0.000 0.278 193 P C -0.306 177.253 177.300 0.431 0.000 1.266 193 P CA -0.412 62.845 63.100 0.262 0.000 0.807 193 P CB 0.597 32.385 31.700 0.146 0.000 1.094 194 F N 0.208 120.201 119.950 0.072 0.000 2.406 194 F HA 0.129 4.648 4.527 -0.014 0.000 0.327 194 F C 1.597 177.407 175.800 0.017 0.000 1.153 194 F CA -0.726 57.275 58.000 0.001 0.000 1.218 194 F CB 0.130 39.072 39.000 -0.098 0.000 1.215 194 F HN 0.263 nan 8.300 nan 0.000 0.570 195 S N 0.873 116.557 115.700 -0.027 0.000 2.585 195 S HA 0.118 4.579 4.470 -0.014 0.000 0.273 195 S C 0.608 175.030 174.600 -0.297 0.000 1.339 195 S CA -0.741 57.218 58.200 -0.402 0.000 1.028 195 S CB 0.881 63.766 63.200 -0.526 0.000 0.906 195 S HN 0.542 nan 8.310 nan 0.000 0.528 196 D N 0.942 121.050 120.400 -0.487 0.000 2.183 196 D HA 0.060 4.691 4.640 -0.014 0.000 0.203 196 D C 0.491 176.607 176.300 -0.307 0.000 0.969 196 D CA 1.122 54.802 54.000 -0.534 0.000 0.842 196 D CB -0.150 39.866 40.800 -1.307 0.000 0.957 196 D HN 0.543 nan 8.370 nan 0.000 0.484 197 N N -1.288 117.289 118.700 -0.205 0.000 3.227 197 N HA 0.162 4.893 4.740 -0.014 0.000 0.241 197 N C -2.028 173.491 175.510 0.015 0.000 1.480 197 N CA -0.464 52.579 53.050 -0.012 0.000 0.886 197 N CB 1.820 40.389 38.487 0.138 0.000 1.406 197 N HN -0.341 nan 8.380 nan 0.000 0.514 198 V N 2.005 121.932 119.914 0.022 0.000 2.482 198 V HA 0.477 4.588 4.120 -0.014 0.000 0.295 198 V C -0.209 175.829 176.094 -0.094 0.000 1.026 198 V CA -0.657 61.638 62.300 -0.008 0.000 0.856 198 V CB 1.451 33.248 31.823 -0.043 0.000 1.001 198 V HN 0.452 nan 8.190 nan 0.000 0.424 199 L N 5.898 127.049 121.223 -0.119 0.000 2.305 199 L HA 0.558 4.889 4.340 -0.014 0.000 0.281 199 L C -0.461 176.255 176.870 -0.257 0.000 1.085 199 L CA -0.209 54.511 54.840 -0.199 0.000 0.813 199 L CB 1.125 43.039 42.059 -0.241 0.000 1.157 199 L HN 0.478 nan 8.230 nan 0.000 0.436 200 I N 3.939 124.339 120.570 -0.283 0.000 2.382 200 I HA 0.209 4.370 4.170 -0.014 0.000 0.285 200 I C 0.052 175.911 176.117 -0.430 0.000 1.007 200 I CA -0.394 60.635 61.300 -0.452 0.000 1.142 200 I CB 1.160 38.902 38.000 -0.429 0.000 1.289 200 I HN 0.706 nan 8.210 nan 0.000 0.453 201 N N 5.209 123.635 118.700 -0.456 0.000 2.756 201 N HA -0.177 4.554 4.740 -0.014 0.000 0.248 201 N C 0.760 176.172 175.510 -0.162 0.000 1.062 201 N CA 1.221 54.106 53.050 -0.275 0.000 0.696 201 N CB -0.783 37.590 38.487 -0.191 0.000 0.946 201 N HN 1.106 nan 8.380 nan 0.000 0.548 202 G N -1.850 106.849 108.800 -0.169 0.000 2.153 202 G HA2 -0.231 3.720 3.960 -0.014 0.000 0.252 202 G HA3 -0.231 3.720 3.960 -0.014 0.000 0.252 202 G C 0.186 175.001 174.900 -0.141 0.000 0.994 202 G CA 1.122 46.146 45.100 -0.127 0.000 0.698 202 G HN 1.134 nan 8.290 nan 0.000 0.521 203 T N -1.472 112.982 114.554 -0.166 0.000 2.889 203 T HA 0.910 5.251 4.350 -0.014 0.000 0.315 203 T C -0.548 174.060 174.700 -0.153 0.000 1.291 203 T CA 0.846 62.854 62.100 -0.154 0.000 1.028 203 T CB 1.546 70.355 68.868 -0.099 0.000 1.235 203 T HN 1.975 nan 8.240 nan 0.000 0.491 204 A N 1.814 124.541 122.820 -0.155 0.000 2.566 204 A HA 0.742 5.054 4.320 -0.014 0.000 0.290 204 A C -1.693 175.774 177.584 -0.196 0.000 1.071 204 A CA -0.571 51.377 52.037 -0.148 0.000 0.658 204 A CB 1.049 19.982 19.000 -0.112 0.000 1.285 204 A HN 0.818 nan 8.150 nan 0.000 0.427 205 V N 1.885 121.640 119.914 -0.266 0.000 2.483 205 V HA 0.368 4.480 4.120 -0.014 0.000 0.295 205 V C 0.258 176.280 176.094 -0.119 0.000 1.035 205 V CA -0.927 61.198 62.300 -0.291 0.000 0.896 205 V CB 1.761 33.228 31.823 -0.593 0.000 0.986 205 V HN 0.813 nan 8.190 nan 0.000 0.447 206 N N 6.354 125.017 118.700 -0.061 0.000 2.420 206 N HA 0.162 4.894 4.740 -0.014 0.000 0.262 206 N C -1.478 174.040 175.510 0.014 0.000 1.144 206 N CA -1.335 51.725 53.050 0.017 0.000 0.952 206 N CB 1.946 40.449 38.487 0.027 0.000 1.081 206 N HN 0.401 nan 8.380 nan 0.000 0.480 207 P HA -0.066 nan 4.420 nan 0.000 0.228 207 P C 0.185 177.510 177.300 0.042 0.000 1.151 207 P CA 0.978 64.102 63.100 0.040 0.000 0.770 207 P CB 0.633 32.356 31.700 0.039 0.000 0.786 208 N N -0.586 118.141 118.700 0.044 0.000 2.499 208 N HA -0.030 4.702 4.740 -0.014 0.000 0.182 208 N C 1.909 177.435 175.510 0.026 0.000 1.034 208 N CA 1.838 54.911 53.050 0.038 0.000 0.882 208 N CB -0.649 37.866 38.487 0.047 0.000 1.125 208 N HN 0.276 nan 8.380 nan 0.000 0.436 209 T N -2.826 111.739 114.554 0.019 0.000 2.925 209 T HA 0.308 4.649 4.350 -0.014 0.000 0.245 209 T C 1.505 176.206 174.700 0.002 0.000 1.025 209 T CA 1.351 63.454 62.100 0.004 0.000 1.149 209 T CB 0.141 69.003 68.868 -0.010 0.000 0.866 209 T HN 0.275 nan 8.240 nan 0.000 0.437 210 G N 1.042 109.837 108.800 -0.007 0.000 2.192 210 G HA2 -0.150 3.802 3.960 -0.014 0.000 0.193 210 G HA3 -0.150 3.802 3.960 -0.014 0.000 0.193 210 G C -0.227 174.646 174.900 -0.044 0.000 0.999 210 G CA -0.091 45.000 45.100 -0.016 0.000 0.659 210 G HN 0.672 nan 8.290 nan 0.000 0.503 211 E N 0.278 120.449 120.200 -0.048 0.000 2.383 211 E HA 0.482 4.824 4.350 -0.014 0.000 0.264 211 E C 0.915 177.459 176.600 -0.092 0.000 1.050 211 E CA 0.765 57.127 56.400 -0.063 0.000 0.896 211 E CB 0.941 30.605 29.700 -0.060 0.000 0.982 211 E HN 1.516 nan 8.360 nan 0.000 0.424 212 G N 1.451 110.193 108.800 -0.098 0.000 2.631 212 G HA2 -0.192 3.760 3.960 -0.014 0.000 0.504 212 G HA3 -0.192 3.760 3.960 -0.014 0.000 0.504 212 G C -1.003 173.813 174.900 -0.140 0.000 1.306 212 G CA -0.843 44.185 45.100 -0.120 0.000 0.897 212 G HN 0.468 nan 8.290 nan 0.000 0.520 213 Q N -1.155 118.561 119.800 -0.141 0.000 2.433 213 Q HA 0.613 4.944 4.340 -0.014 0.000 0.279 213 Q C -1.100 174.826 176.000 -0.123 0.000 1.105 213 Q CA -0.823 54.914 55.803 -0.109 0.000 0.815 213 Q CB 2.216 30.939 28.738 -0.026 0.000 1.403 213 Q HN 0.538 nan 8.270 nan 0.000 0.435 214 Y N 0.085 120.419 120.300 0.056 0.000 2.307 214 Y HA 0.396 4.938 4.550 -0.014 0.000 0.324 214 Y C 0.453 176.387 175.900 0.057 0.000 1.238 214 Y CA -0.508 57.649 58.100 0.095 0.000 1.280 214 Y CB 0.877 39.459 38.460 0.202 0.000 1.248 214 Y HN 0.616 nan 8.280 nan 0.000 0.508 215 A N 2.454 125.409 122.820 0.226 0.000 2.450 215 A HA 0.199 4.511 4.320 -0.014 0.000 0.255 215 A C -0.206 177.457 177.584 0.133 0.000 1.096 215 A CA -0.363 51.748 52.037 0.124 0.000 0.778 215 A CB -0.265 18.779 19.000 0.073 0.000 1.031 215 A HN 0.701 nan 8.150 nan 0.000 0.494 216 N N 2.347 121.072 118.700 0.042 0.000 2.511 216 N HA 0.419 5.150 4.740 -0.014 0.000 0.249 216 N C -1.307 174.109 175.510 -0.156 0.000 0.971 216 N CA -0.232 52.801 53.050 -0.029 0.000 0.938 216 N CB 1.231 39.708 38.487 -0.017 0.000 1.131 216 N HN 0.255 nan 8.380 nan 0.000 0.505 217 V N 2.784 122.473 119.914 -0.374 0.000 2.370 217 V HA 0.384 4.495 4.120 -0.014 0.000 0.279 217 V C 0.260 176.071 176.094 -0.473 0.000 1.029 217 V CA -0.575 61.346 62.300 -0.632 0.000 0.870 217 V CB 1.332 32.259 31.823 -1.493 0.000 0.984 217 V HN 0.547 nan 8.190 nan 0.000 0.451 218 T N 7.072 121.448 114.554 -0.296 0.000 2.728 218 T HA 0.550 4.891 4.350 -0.014 0.000 0.296 218 T C -0.162 174.367 174.700 -0.285 0.000 0.940 218 T CA -0.190 61.804 62.100 -0.177 0.000 1.013 218 T CB 0.347 69.195 68.868 -0.034 0.000 0.912 218 T HN 0.335 nan 8.240 nan 0.000 0.484 219 L N 3.195 124.182 121.223 -0.393 0.000 2.307 219 L HA 0.405 4.736 4.340 -0.014 0.000 0.282 219 L C 0.621 177.306 176.870 -0.309 0.000 1.051 219 L CA -0.725 53.746 54.840 -0.615 0.000 0.804 219 L CB 1.193 42.707 42.059 -0.908 0.000 1.197 219 L HN 0.550 nan 8.230 nan 0.000 0.431 220 T N 3.684 118.282 114.554 0.072 0.000 2.744 220 T HA 0.266 4.608 4.350 -0.014 0.000 0.291 220 T C -2.405 172.345 174.700 0.084 0.000 0.957 220 T CA -1.238 60.916 62.100 0.090 0.000 1.002 220 T CB 1.083 70.018 68.868 0.111 0.000 0.919 220 T HN 0.279 nan 8.240 nan 0.000 0.468 221 P HA 0.161 nan 4.420 nan 0.000 0.260 221 P C 1.067 178.439 177.300 0.120 0.000 1.185 221 P CA 1.022 64.215 63.100 0.155 0.000 0.763 221 P CB 0.170 31.985 31.700 0.193 0.000 0.776 222 G N 1.955 110.838 108.800 0.137 0.000 2.199 222 G HA2 -0.203 3.749 3.960 -0.014 0.000 0.254 222 G HA3 -0.203 3.749 3.960 -0.014 0.000 0.254 222 G C 0.106 175.039 174.900 0.056 0.000 0.982 222 G CA -0.206 44.949 45.100 0.092 0.000 0.632 222 G HN 0.469 nan 8.290 nan 0.000 0.529 223 K N 0.557 120.982 120.400 0.042 0.000 2.123 223 K HA 0.523 4.835 4.320 -0.014 0.000 0.259 223 K C 0.418 176.969 176.600 -0.082 0.000 0.960 223 K CA -0.784 55.459 56.287 -0.072 0.000 0.872 223 K CB 1.206 33.582 32.500 -0.207 0.000 1.079 223 K HN 0.345 nan 8.250 nan 0.000 0.440 224 R N 2.277 122.733 120.500 -0.074 0.000 2.216 224 R HA 0.185 4.516 4.340 -0.014 0.000 0.332 224 R C -0.497 175.771 176.300 -0.053 0.000 1.056 224 R CA -0.395 55.720 56.100 0.025 0.000 0.901 224 R CB 0.032 30.381 30.300 0.081 0.000 1.039 224 R HN 0.442 nan 8.270 nan 0.000 0.456 225 H N 1.360 120.437 119.070 0.011 0.000 2.519 225 H HA 0.212 4.760 4.556 -0.014 0.000 0.316 225 H C -0.156 175.103 175.328 -0.114 0.000 1.065 225 H CA -0.698 55.326 56.048 -0.039 0.000 1.264 225 H CB 1.027 30.742 29.762 -0.078 0.000 1.413 225 H HN 0.262 nan 8.280 nan 0.000 0.465 226 R N 3.299 123.709 120.500 -0.150 0.000 2.265 226 R HA 0.316 4.648 4.340 -0.014 0.000 0.314 226 R C -1.250 174.929 176.300 -0.203 0.000 1.053 226 R CA -0.809 55.079 56.100 -0.353 0.000 0.931 226 R CB 0.315 30.060 30.300 -0.924 0.000 1.024 226 R HN 0.448 nan 8.270 nan 0.000 0.457 227 L N 4.977 126.111 121.223 -0.149 0.000 2.333 227 L HA 0.431 4.763 4.340 -0.014 0.000 0.280 227 L C -0.691 176.133 176.870 -0.077 0.000 1.004 227 L CA -0.396 54.364 54.840 -0.133 0.000 0.820 227 L CB 1.576 43.550 42.059 -0.143 0.000 1.247 227 L HN 0.605 nan 8.230 nan 0.000 0.416 228 R N 6.451 126.918 120.500 -0.056 0.000 2.522 228 R HA 0.466 4.798 4.340 -0.014 0.000 0.290 228 R C -0.800 175.527 176.300 0.045 0.000 1.216 228 R CA -0.332 55.760 56.100 -0.014 0.000 1.250 228 R CB 0.093 30.375 30.300 -0.031 0.000 1.143 228 R HN 0.565 nan 8.270 nan 0.000 0.553 229 I N 4.149 124.770 120.570 0.085 0.000 2.441 229 I HA 0.147 4.308 4.170 -0.014 0.000 0.287 229 I C -0.304 175.810 176.117 -0.006 0.000 1.049 229 I CA -0.355 61.021 61.300 0.127 0.000 1.381 229 I CB 0.527 38.659 38.000 0.220 0.000 1.409 229 I HN 0.225 nan 8.210 nan 0.000 0.523 230 L N 6.082 127.246 121.223 -0.099 0.000 2.388 230 L HA 0.465 4.796 4.340 -0.014 0.000 0.264 230 L C -0.251 176.423 176.870 -0.326 0.000 0.998 230 L CA -0.531 54.138 54.840 -0.285 0.000 0.817 230 L CB 1.446 43.273 42.059 -0.388 0.000 1.338 230 L HN 0.425 nan 8.230 nan 0.000 0.414 231 N N 0.152 118.566 118.700 -0.477 0.000 2.558 231 N HA 0.253 4.984 4.740 -0.014 0.000 0.242 231 N C 0.119 175.134 175.510 -0.826 0.000 0.979 231 N CA -0.222 52.573 53.050 -0.424 0.000 0.931 231 N CB 1.103 39.358 38.487 -0.386 0.000 1.122 231 N HN 0.735 nan 8.380 nan 0.000 0.508 232 T N -0.751 113.358 114.554 -0.741 0.000 3.223 232 T HA 0.260 4.601 4.350 -0.014 0.000 0.259 232 T C 0.511 174.977 174.700 -0.389 0.000 1.015 232 T CA -0.398 61.084 62.100 -1.029 0.000 0.908 232 T CB -0.299 68.121 68.868 -0.746 0.000 1.054 232 T HN 0.149 nan 8.240 nan 0.000 0.567 233 S N 2.019 117.535 115.700 -0.307 0.000 2.587 233 S HA 0.246 4.707 4.470 -0.014 0.000 0.260 233 S C 1.730 176.292 174.600 -0.063 0.000 1.353 233 S CA 0.191 58.301 58.200 -0.151 0.000 0.995 233 S CB 0.844 63.846 63.200 -0.330 0.000 0.912 233 S HN 0.751 nan 8.310 nan 0.000 0.568 234 T N -2.117 112.340 114.554 -0.162 0.000 3.023 234 T HA 0.262 4.603 4.350 -0.014 0.000 0.249 234 T C 1.012 175.363 174.700 -0.582 0.000 1.050 234 T CA 0.076 61.904 62.100 -0.454 0.000 1.088 234 T CB 0.159 68.553 68.868 -0.791 0.000 0.946 234 T HN 0.576 nan 8.240 nan 0.000 0.480 235 E N 1.022 121.026 120.200 -0.327 0.000 3.027 235 E HA 0.119 4.461 4.350 -0.014 0.000 0.221 235 E C -0.352 176.170 176.600 -0.130 0.000 1.070 235 E CA -0.139 56.120 56.400 -0.235 0.000 1.705 235 E CB 0.019 29.718 29.700 -0.002 0.000 1.998 235 E HN 0.414 nan 8.360 nan 0.000 0.976 236 N N 1.447 120.073 118.700 -0.123 0.000 2.359 236 N HA -0.026 4.705 4.740 -0.014 0.000 0.261 236 N C -0.877 174.212 175.510 -0.702 0.000 1.267 236 N CA 0.493 53.409 53.050 -0.224 0.000 0.864 236 N CB 0.164 38.531 38.487 -0.201 0.000 1.063 236 N HN 0.153 nan 8.380 nan 0.000 0.474 237 H N 2.018 120.813 119.070 -0.458 0.000 2.481 237 H HA 0.349 4.897 4.556 -0.014 0.000 0.333 237 H C -0.724 174.249 175.328 -0.591 0.000 1.066 237 H CA -0.349 55.358 56.048 -0.569 0.000 1.209 237 H CB 0.511 30.193 29.762 -0.134 0.000 1.445 237 H HN 0.323 nan 8.280 nan 0.000 0.488 238 F N 0.899 120.606 119.950 -0.405 0.000 2.432 238 F HA 0.420 4.939 4.527 -0.014 0.000 0.329 238 F C 0.303 175.842 175.800 -0.435 0.000 1.076 238 F CA -0.923 56.789 58.000 -0.479 0.000 1.018 238 F CB 1.237 39.994 39.000 -0.405 0.000 1.201 238 F HN 0.371 nan 8.300 nan 0.000 0.489 239 Q N 2.013 121.773 119.800 -0.068 0.000 2.333 239 Q HA 0.620 4.951 4.340 -0.014 0.000 0.268 239 Q C -1.125 174.807 176.000 -0.113 0.000 1.007 239 Q CA -0.982 54.832 55.803 0.018 0.000 0.810 239 Q CB 2.691 31.521 28.738 0.153 0.000 1.264 239 Q HN 0.580 nan 8.270 nan 0.000 0.452 240 V N -0.469 119.362 119.914 -0.138 0.000 2.628 240 V HA 0.944 5.056 4.120 -0.014 0.000 0.306 240 V C -0.417 175.447 176.094 -0.382 0.000 1.045 240 V CA -0.575 61.529 62.300 -0.328 0.000 0.905 240 V CB 1.689 33.367 31.823 -0.241 0.000 0.997 240 V HN 0.815 nan 8.190 nan 0.000 0.436 241 S N 4.141 119.475 115.700 -0.610 0.000 2.537 241 S HA 0.768 5.229 4.470 -0.014 0.000 0.271 241 S C -1.476 172.791 174.600 -0.555 0.000 1.148 241 S CA -0.754 57.180 58.200 -0.443 0.000 0.868 241 S CB 1.777 64.842 63.200 -0.225 0.000 1.115 241 S HN 1.477 nan 8.310 nan 0.000 0.461 242 L N 2.699 123.712 121.223 -0.350 0.000 2.313 242 L HA 0.641 4.973 4.340 -0.014 0.000 0.283 242 L C -0.657 176.183 176.870 -0.050 0.000 1.013 242 L CA -0.689 54.001 54.840 -0.250 0.000 0.816 242 L CB 1.618 43.474 42.059 -0.339 0.000 1.236 242 L HN 0.735 nan 8.230 nan 0.000 0.419 243 V N 6.865 126.823 119.914 0.073 0.000 2.557 243 V HA 0.024 4.136 4.120 -0.014 0.000 0.301 243 V C 1.267 177.475 176.094 0.191 0.000 1.026 243 V CA 0.877 63.280 62.300 0.171 0.000 1.137 243 V CB -0.291 31.714 31.823 0.303 0.000 0.917 243 V HN 1.050 nan 8.190 nan 0.000 0.484 244 N N 1.578 120.314 118.700 0.060 0.000 2.863 244 N HA -0.181 4.551 4.740 -0.014 0.000 0.245 244 N C -0.217 175.091 175.510 -0.337 0.000 1.001 244 N CA 0.860 53.834 53.050 -0.126 0.000 0.901 244 N CB -0.559 37.818 38.487 -0.184 0.000 1.124 244 N HN 0.874 nan 8.380 nan 0.000 0.582 245 H N -1.133 117.827 119.070 -0.184 0.000 2.834 245 H HA 0.512 5.059 4.556 -0.014 0.000 0.369 245 H C 0.087 175.343 175.328 -0.119 0.000 1.174 245 H CA 0.009 55.961 56.048 -0.161 0.000 1.165 245 H CB 1.501 31.151 29.762 -0.187 0.000 1.820 245 H HN 0.075 nan 8.280 nan 0.000 0.558 246 T N -0.780 113.800 114.554 0.045 0.000 2.952 246 T HA 0.683 5.024 4.350 -0.014 0.000 0.286 246 T C -0.126 174.573 174.700 -0.001 0.000 1.024 246 T CA -1.046 61.054 62.100 -0.001 0.000 1.029 246 T CB 1.094 69.955 68.868 -0.012 0.000 1.094 246 T HN 0.380 nan 8.240 nan 0.000 0.515 247 M N 1.809 121.391 119.600 -0.029 0.000 2.321 247 M HA 0.357 4.829 4.480 -0.014 0.000 0.315 247 M C -0.856 175.423 176.300 -0.035 0.000 1.052 247 M CA -0.638 54.641 55.300 -0.035 0.000 0.936 247 M CB 2.539 35.102 32.600 -0.060 0.000 1.639 247 M HN 0.688 nan 8.290 nan 0.000 0.433 248 T N 2.784 117.328 114.554 -0.017 0.000 2.853 248 T HA 0.357 4.699 4.350 -0.014 0.000 0.317 248 T C 0.026 174.720 174.700 -0.009 0.000 1.059 248 T CA -0.551 61.544 62.100 -0.008 0.000 0.954 248 T CB 0.381 69.259 68.868 0.017 0.000 0.994 248 T HN 0.382 nan 8.240 nan 0.000 0.479 249 V N 5.646 125.544 119.914 -0.028 0.000 2.485 249 V HA 0.117 4.229 4.120 -0.014 0.000 0.287 249 V C 1.409 177.526 176.094 0.037 0.000 1.022 249 V CA 0.198 62.492 62.300 -0.009 0.000 1.067 249 V CB -0.214 31.575 31.823 -0.057 0.000 0.967 249 V HN 0.913 nan 8.190 nan 0.000 0.479 250 I N 1.850 122.451 120.570 0.051 0.000 4.139 250 I HA 0.755 4.916 4.170 -0.014 0.000 0.335 250 I C 0.636 176.788 176.117 0.058 0.000 1.327 250 I CA 0.099 61.434 61.300 0.060 0.000 1.112 250 I CB 0.493 38.532 38.000 0.065 0.000 1.058 250 I HN 0.521 nan 8.210 nan 0.000 0.396 251 A N 1.540 124.405 122.820 0.074 0.000 2.532 251 A HA 0.834 5.146 4.320 -0.014 0.000 0.296 251 A C -1.020 176.622 177.584 0.097 0.000 1.058 251 A CA -0.167 51.895 52.037 0.042 0.000 0.729 251 A CB 1.068 20.045 19.000 -0.039 0.000 1.285 251 A HN 0.322 nan 8.150 nan 0.000 0.396 252 A N 3.080 125.916 122.820 0.026 0.000 2.256 252 A HA 0.707 5.019 4.320 -0.014 0.000 0.317 252 A C 0.352 177.812 177.584 -0.207 0.000 1.318 252 A CA 0.212 52.179 52.037 -0.117 0.000 0.894 252 A CB -0.096 18.916 19.000 0.020 0.000 1.165 252 A HN 1.126 nan 8.150 nan 0.000 0.525 253 D N 0.729 120.942 120.400 -0.313 0.000 3.798 253 D HA -0.262 4.370 4.640 -0.014 0.000 0.150 253 D C 0.637 176.819 176.300 -0.197 0.000 0.953 253 D CA 1.943 55.806 54.000 -0.229 0.000 1.089 253 D CB -0.633 40.064 40.800 -0.171 0.000 0.535 253 D HN 0.619 nan 8.370 nan 0.000 0.563 254 M N 0.745 120.225 119.600 -0.200 0.000 2.549 254 M HA 0.254 4.726 4.480 -0.014 0.000 0.273 254 M C -0.771 175.273 176.300 -0.426 0.000 1.213 254 M CA 0.106 55.222 55.300 -0.306 0.000 0.976 254 M CB 0.525 32.940 32.600 -0.309 0.000 1.457 254 M HN 0.059 nan 8.290 nan 0.000 0.485 255 V N 1.364 121.111 119.914 -0.279 0.000 2.378 255 V HA 0.404 4.515 4.120 -0.014 0.000 0.288 255 V C -2.456 173.538 176.094 -0.165 0.000 1.016 255 V CA -1.737 60.437 62.300 -0.210 0.000 0.840 255 V CB 1.207 33.022 31.823 -0.012 0.000 0.994 255 V HN 0.170 nan 8.190 nan 0.000 0.431 256 P HA 0.237 nan 4.420 nan 0.000 0.276 256 P C -0.496 176.820 177.300 0.027 0.000 1.243 256 P CA 0.122 63.176 63.100 -0.076 0.000 0.768 256 P CB 0.970 32.634 31.700 -0.059 0.000 0.856 257 V N 1.048 120.991 119.914 0.049 0.000 2.994 257 V HA 0.570 4.682 4.120 -0.014 0.000 0.318 257 V C -0.026 176.113 176.094 0.074 0.000 1.085 257 V CA -1.118 61.225 62.300 0.072 0.000 0.998 257 V CB 1.770 33.645 31.823 0.086 0.000 1.063 257 V HN 0.225 nan 8.190 nan 0.000 0.447 258 N N 1.899 120.641 118.700 0.071 0.000 2.492 258 N HA 0.364 5.095 4.740 -0.014 0.000 0.262 258 N C 0.410 175.954 175.510 0.057 0.000 1.202 258 N CA 0.625 53.714 53.050 0.065 0.000 0.926 258 N CB 1.126 39.648 38.487 0.058 0.000 1.078 258 N HN 1.237 nan 8.380 nan 0.000 0.454 259 A N 2.583 125.436 122.820 0.055 0.000 2.591 259 A HA 0.002 4.313 4.320 -0.014 0.000 0.244 259 A C 0.396 178.000 177.584 0.033 0.000 1.031 259 A CA 0.625 52.690 52.037 0.046 0.000 0.767 259 A CB -0.335 18.693 19.000 0.047 0.000 0.942 259 A HN 0.742 nan 8.150 nan 0.000 0.514 260 M N 3.741 123.354 119.600 0.022 0.000 2.122 260 M HA 0.211 4.683 4.480 -0.014 0.000 0.269 260 M C -0.704 175.589 176.300 -0.010 0.000 0.954 260 M CA -0.086 55.219 55.300 0.008 0.000 0.998 260 M CB 1.521 34.127 32.600 0.009 0.000 1.755 260 M HN 0.664 nan 8.290 nan 0.000 0.459 261 T N 4.324 118.874 114.554 -0.006 0.000 2.832 261 T HA 0.526 4.868 4.350 -0.014 0.000 0.296 261 T C -0.328 174.359 174.700 -0.023 0.000 0.968 261 T CA -0.339 61.753 62.100 -0.014 0.000 1.107 261 T CB 0.460 69.325 68.868 -0.004 0.000 0.916 261 T HN 0.568 nan 8.240 nan 0.000 0.517 262 V N 0.863 120.755 119.914 -0.036 0.000 3.159 262 V HA 0.584 4.695 4.120 -0.014 0.000 0.308 262 V C -0.053 176.019 176.094 -0.036 0.000 1.190 262 V CA -0.862 61.417 62.300 -0.035 0.000 1.037 262 V CB 2.392 34.181 31.823 -0.055 0.000 1.060 262 V HN 0.607 nan 8.190 nan 0.000 0.437 263 D N 1.013 121.398 120.400 -0.025 0.000 2.277 263 D HA 0.153 4.785 4.640 -0.014 0.000 0.209 263 D C 0.817 177.092 176.300 -0.042 0.000 0.970 263 D CA 1.577 55.556 54.000 -0.034 0.000 0.874 263 D CB 0.879 41.661 40.800 -0.031 0.000 0.982 263 D HN 0.863 nan 8.370 nan 0.000 0.504 264 S N -0.411 115.291 115.700 0.003 0.000 2.588 264 S HA 0.683 5.144 4.470 -0.014 0.000 0.275 264 S C -0.931 173.700 174.600 0.052 0.000 1.130 264 S CA -0.909 57.316 58.200 0.042 0.000 0.855 264 S CB 2.347 65.629 63.200 0.137 0.000 1.116 264 S HN 0.009 nan 8.310 nan 0.000 0.472 265 L N 1.825 123.013 121.223 -0.057 0.000 2.408 265 L HA 0.604 4.935 4.340 -0.014 0.000 0.268 265 L C -1.424 175.324 176.870 -0.203 0.000 0.986 265 L CA -0.730 53.973 54.840 -0.230 0.000 0.820 265 L CB 2.032 43.900 42.059 -0.318 0.000 1.303 265 L HN 0.820 nan 8.230 nan 0.000 0.411 266 F N 3.927 123.598 119.950 -0.464 0.000 2.404 266 F HA 0.566 5.084 4.527 -0.015 0.000 0.345 266 F C -0.930 174.895 175.800 0.042 0.000 1.110 266 F CA -0.367 57.483 58.000 -0.250 0.000 1.130 266 F CB 0.902 39.698 39.000 -0.339 0.000 1.129 266 F HN 0.190 nan 8.300 nan 0.000 0.500 267 L N 6.538 127.349 121.223 -0.687 0.000 2.345 267 L HA 0.585 4.917 4.340 -0.014 0.000 0.274 267 L C 0.001 176.409 176.870 -0.769 0.000 0.999 267 L CA -0.267 54.310 54.840 -0.438 0.000 0.849 267 L CB 1.201 43.160 42.059 -0.167 0.000 1.220 267 L HN 0.792 nan 8.230 nan 0.000 0.422 268 A N 2.988 125.522 122.820 -0.476 0.000 2.296 268 A HA 0.567 4.878 4.320 -0.014 0.000 0.264 268 A C 0.049 177.369 177.584 -0.439 0.000 1.097 268 A CA -0.517 51.376 52.037 -0.239 0.000 0.811 268 A CB 0.444 19.576 19.000 0.219 0.000 1.072 268 A HN 0.369 nan 8.150 nan 0.000 0.495 269 V N 1.242 120.783 119.914 -0.621 0.000 2.452 269 V HA 0.378 4.490 4.120 -0.014 0.000 0.286 269 V C 1.518 177.340 176.094 -0.454 0.000 0.995 269 V CA 1.839 63.791 62.300 -0.579 0.000 1.116 269 V CB -0.524 30.995 31.823 -0.506 0.000 0.954 269 V HN 1.883 nan 8.190 nan 0.000 0.473 270 G N 3.605 112.044 108.800 -0.602 0.000 2.179 270 G HA2 -0.194 3.757 3.960 -0.014 0.000 0.220 270 G HA3 -0.194 3.757 3.960 -0.014 0.000 0.220 270 G C 0.130 174.753 174.900 -0.462 0.000 0.990 270 G CA -0.074 44.700 45.100 -0.543 0.000 0.646 270 G HN 0.610 nan 8.290 nan 0.000 0.517 271 Q N -0.004 119.547 119.800 -0.414 0.000 2.299 271 Q HA 0.683 5.014 4.340 -0.014 0.000 0.246 271 Q C 0.219 175.967 176.000 -0.420 0.000 0.935 271 Q CA -0.095 55.491 55.803 -0.362 0.000 0.887 271 Q CB 0.789 29.346 28.738 -0.301 0.000 1.223 271 Q HN 0.344 nan 8.270 nan 0.000 0.439 272 R N 1.013 121.257 120.500 -0.426 0.000 2.807 272 R HA 0.565 4.897 4.340 -0.014 0.000 0.276 272 R C -1.610 174.439 176.300 -0.418 0.000 0.979 272 R CA -0.529 55.370 56.100 -0.334 0.000 0.928 272 R CB 1.302 31.455 30.300 -0.245 0.000 1.191 272 R HN 0.474 nan 8.270 nan 0.000 0.471 273 Y N -0.079 120.171 120.300 -0.084 0.000 2.358 273 Y HA 0.257 4.799 4.550 -0.014 0.000 0.324 273 Y C -1.122 174.748 175.900 -0.050 0.000 1.123 273 Y CA -1.267 56.800 58.100 -0.056 0.000 1.067 273 Y CB 1.948 40.385 38.460 -0.039 0.000 1.230 273 Y HN 0.537 nan 8.280 nan 0.000 0.429 274 D N 3.097 123.572 120.400 0.126 0.000 2.347 274 D HA 0.479 5.110 4.640 -0.014 0.000 0.235 274 D C -0.506 175.809 176.300 0.025 0.000 1.149 274 D CA -0.104 53.911 54.000 0.026 0.000 0.850 274 D CB 1.135 41.917 40.800 -0.029 0.000 1.061 274 D HN 0.286 nan 8.370 nan 0.000 0.487 275 V N -0.015 119.897 119.914 -0.004 0.000 2.815 275 V HA 0.700 4.812 4.120 -0.014 0.000 0.314 275 V C -0.321 175.744 176.094 -0.050 0.000 1.064 275 V CA -0.875 61.415 62.300 -0.017 0.000 0.952 275 V CB 2.039 33.856 31.823 -0.009 0.000 1.020 275 V HN 0.162 nan 8.190 nan 0.000 0.439 276 V N 4.767 124.666 119.914 -0.025 0.000 2.357 276 V HA 0.489 4.600 4.120 -0.014 0.000 0.284 276 V C -0.081 176.026 176.094 0.023 0.000 1.018 276 V CA -0.232 62.064 62.300 -0.006 0.000 0.841 276 V CB 1.141 32.986 31.823 0.037 0.000 0.991 276 V HN 0.772 nan 8.190 nan 0.000 0.437 277 I N 4.257 124.850 120.570 0.039 0.000 2.339 277 I HA 0.377 4.538 4.170 -0.014 0.000 0.290 277 I C -0.564 175.620 176.117 0.112 0.000 0.994 277 I CA -0.506 60.818 61.300 0.041 0.000 1.191 277 I CB 1.579 39.562 38.000 -0.028 0.000 1.343 277 I HN 0.488 nan 8.210 nan 0.000 0.458 278 D N 5.931 126.403 120.400 0.120 0.000 2.280 278 D HA 0.267 4.899 4.640 -0.014 0.000 0.243 278 D C 0.338 176.751 176.300 0.189 0.000 1.129 278 D CA -0.151 53.936 54.000 0.146 0.000 0.848 278 D CB 1.942 42.804 40.800 0.102 0.000 1.107 278 D HN 0.558 nan 8.370 nan 0.000 0.471 279 A N 1.855 124.784 122.820 0.183 0.000 3.074 279 A HA 0.174 4.485 4.320 -0.014 0.000 0.251 279 A C 1.097 178.864 177.584 0.305 0.000 1.695 279 A CA -0.329 51.810 52.037 0.170 0.000 1.343 279 A CB -0.576 18.389 19.000 -0.058 0.000 1.078 279 A HN 0.383 nan 8.150 nan 0.000 0.644 280 S N -0.664 115.176 115.700 0.233 0.000 2.577 280 S HA 0.248 4.709 4.470 -0.014 0.000 0.219 280 S C 0.729 175.354 174.600 0.041 0.000 0.962 280 S CA -0.483 57.791 58.200 0.123 0.000 0.921 280 S CB 0.359 63.593 63.200 0.057 0.000 0.789 280 S HN 0.499 nan 8.310 nan 0.000 0.497 281 R N 1.353 121.877 120.500 0.041 0.000 2.810 281 R HA 0.730 5.061 4.340 -0.014 0.000 0.245 281 R C 0.070 176.252 176.300 -0.196 0.000 1.168 281 R CA -0.596 55.401 56.100 -0.172 0.000 1.096 281 R CB 0.134 30.119 30.300 -0.525 0.000 1.259 281 R HN 0.255 nan 8.270 nan 0.000 0.518 282 A N 2.124 124.841 122.820 -0.171 0.000 2.546 282 A HA 0.228 4.539 4.320 -0.014 0.000 0.243 282 A C -1.910 175.469 177.584 -0.341 0.000 1.063 282 A CA -0.753 51.190 52.037 -0.158 0.000 0.757 282 A CB -0.597 18.366 19.000 -0.061 0.000 0.991 282 A HN 0.280 nan 8.150 nan 0.000 0.503 283 P HA 0.159 nan 4.420 nan 0.000 0.257 283 P C -0.722 176.427 177.300 -0.252 0.000 1.227 283 P CA 0.869 63.761 63.100 -0.346 0.000 0.981 283 P CB 0.264 31.906 31.700 -0.097 0.000 1.044 284 D N 1.760 121.969 120.400 -0.318 0.000 2.768 284 D HA 0.257 4.889 4.640 -0.014 0.000 0.327 284 D C -0.976 175.174 176.300 -0.250 0.000 1.302 284 D CA -0.591 53.222 54.000 -0.311 0.000 0.897 284 D CB 1.153 41.636 40.800 -0.527 0.000 1.420 284 D HN -0.028 nan 8.370 nan 0.000 0.494 285 N N 0.630 119.110 118.700 -0.367 0.000 2.419 285 N HA 0.317 5.048 4.740 -0.014 0.000 0.277 285 N C -1.099 174.091 175.510 -0.534 0.000 1.006 285 N CA -0.059 52.845 53.050 -0.244 0.000 0.923 285 N CB 0.966 39.311 38.487 -0.236 0.000 1.140 285 N HN 0.270 nan 8.380 nan 0.000 0.488 286 Y N 0.041 120.342 120.300 0.002 0.000 2.429 286 Y HA 0.344 4.885 4.550 -0.014 0.000 0.342 286 Y C -0.111 175.813 175.900 0.040 0.000 1.004 286 Y CA -0.886 57.219 58.100 0.008 0.000 1.075 286 Y CB 1.355 39.900 38.460 0.142 0.000 1.214 286 Y HN 0.409 nan 8.280 nan 0.000 0.455 287 W N 3.200 124.614 121.300 0.190 0.000 2.272 287 W HA 0.335 4.986 4.660 -0.013 0.000 0.318 287 W C -0.685 175.904 176.519 0.117 0.000 1.255 287 W CA -0.517 56.900 57.345 0.119 0.000 1.200 287 W CB 0.617 30.093 29.460 0.027 0.000 1.170 287 W HN 0.379 nan 8.180 nan 0.000 0.549 288 F N 4.651 124.790 119.950 0.316 0.000 2.361 288 F HA 0.366 4.884 4.527 -0.014 0.000 0.364 288 F C -0.423 175.437 175.800 0.100 0.000 1.117 288 F CA -0.772 57.280 58.000 0.087 0.000 1.071 288 F CB 0.191 39.286 39.000 0.158 0.000 1.188 288 F HN 0.252 nan 8.300 nan 0.000 0.464 289 N N 3.987 122.526 118.700 -0.267 0.000 2.430 289 N HA 0.488 5.220 4.740 -0.014 0.000 0.292 289 N C -1.402 173.923 175.510 -0.308 0.000 1.051 289 N CA -0.618 52.309 53.050 -0.206 0.000 0.917 289 N CB 2.155 40.546 38.487 -0.160 0.000 1.164 289 N HN 0.288 nan 8.380 nan 0.000 0.484 290 V N 2.256 122.043 119.914 -0.212 0.000 2.311 290 V HA 0.365 4.476 4.120 -0.014 0.000 0.275 290 V C 0.096 176.013 176.094 -0.295 0.000 1.022 290 V CA -0.446 61.661 62.300 -0.321 0.000 0.830 290 V CB 0.338 31.907 31.823 -0.423 0.000 1.012 290 V HN 0.846 nan 8.190 nan 0.000 0.452 291 T N 1.589 115.965 114.554 -0.296 0.000 2.949 291 T HA 0.778 5.120 4.350 -0.014 0.000 0.287 291 T C -0.825 173.648 174.700 -0.378 0.000 1.034 291 T CA -0.625 61.355 62.100 -0.199 0.000 1.018 291 T CB 1.792 70.629 68.868 -0.053 0.000 1.135 291 T HN 0.123 nan 8.240 nan 0.000 0.532 292 F N 0.201 120.195 119.950 0.074 0.000 2.460 292 F HA 0.665 5.184 4.527 -0.013 0.000 0.341 292 F C 0.754 176.606 175.800 0.086 0.000 1.130 292 F CA -0.501 57.549 58.000 0.083 0.000 0.962 292 F CB 1.949 40.948 39.000 -0.002 0.000 1.171 292 F HN 1.039 nan 8.300 nan 0.000 0.436 293 G N 0.232 109.199 108.800 0.278 0.000 2.667 293 G HA2 0.508 4.459 3.960 -0.014 0.000 0.310 293 G HA3 0.508 4.459 3.960 -0.014 0.000 0.310 293 G C 0.480 175.486 174.900 0.177 0.000 1.259 293 G CA -0.611 44.601 45.100 0.188 0.000 1.019 293 G HN 1.192 nan 8.290 nan 0.000 0.496 294 G N -0.229 108.628 108.800 0.094 0.000 2.149 294 G HA2 -0.094 3.858 3.960 -0.014 0.000 0.235 294 G HA3 -0.094 3.858 3.960 -0.014 0.000 0.235 294 G C 0.691 175.635 174.900 0.074 0.000 1.018 294 G CA 0.910 46.044 45.100 0.055 0.000 0.728 294 G HN 1.939 nan 8.290 nan 0.000 0.508 295 Q N -2.870 116.984 119.800 0.089 0.000 2.402 295 Q HA -0.142 4.190 4.340 -0.014 0.000 0.356 295 Q C 0.887 176.954 176.000 0.112 0.000 1.344 295 Q CA 2.137 57.997 55.803 0.095 0.000 1.062 295 Q CB -2.590 26.189 28.738 0.069 0.000 1.268 295 Q HN 2.531 nan 8.270 nan 0.000 0.383 296 A N -1.431 121.468 122.820 0.131 0.000 2.799 296 A HA -0.162 4.150 4.320 -0.014 0.000 0.287 296 A C 1.499 179.162 177.584 0.132 0.000 1.484 296 A CA 1.970 54.094 52.037 0.144 0.000 0.813 296 A CB -1.717 17.466 19.000 0.306 0.000 1.009 296 A HN 1.780 nan 8.150 nan 0.000 0.545 297 A N -1.277 121.598 122.820 0.092 0.000 2.021 297 A HA 0.233 4.545 4.320 -0.014 0.000 0.216 297 A C 1.669 179.275 177.584 0.037 0.000 1.163 297 A CA 1.689 53.769 52.037 0.071 0.000 0.676 297 A CB -0.636 18.388 19.000 0.040 0.000 0.818 297 A HN 2.137 nan 8.150 nan 0.000 0.453 298 c N -2.488 116.117 118.600 0.008 0.000 2.624 298 c HA 0.657 5.219 4.570 -0.014 0.000 0.263 298 c C 0.851 174.994 174.090 0.088 0.000 1.587 298 c CA -0.608 55.661 56.329 -0.099 0.000 1.718 298 c CB -1.095 41.146 42.510 -0.448 0.000 3.050 298 c HN 1.690 nan 8.230 nan 0.000 0.517 299 G N -0.377 108.458 108.800 0.058 0.000 2.541 299 G HA2 0.496 4.448 3.960 -0.014 0.000 0.686 299 G HA3 0.496 4.448 3.960 -0.014 0.000 0.686 299 G C -0.393 174.097 174.900 -0.683 0.000 1.286 299 G CA -0.131 44.902 45.100 -0.112 0.000 0.894 299 G HN 2.172 nan 8.290 nan 0.000 0.575 300 G N -1.620 106.291 108.800 -1.482 0.000 2.495 300 G HA2 0.888 4.840 3.960 -0.014 0.000 0.294 300 G HA3 0.888 4.840 3.960 -0.014 0.000 0.294 300 G C -0.934 172.763 174.900 -2.005 0.000 1.397 300 G CA 0.904 44.371 45.100 -2.722 0.000 0.790 300 G HN 1.968 nan 8.290 nan 0.000 0.486 301 S N -1.467 113.413 115.700 -1.367 0.000 2.546 301 S HA 0.503 4.965 4.470 -0.014 0.000 0.274 301 S C 0.819 175.401 174.600 -0.029 0.000 1.121 301 S CA -0.700 57.256 58.200 -0.406 0.000 0.887 301 S CB 1.528 64.667 63.200 -0.102 0.000 1.094 301 S HN 0.555 nan 8.310 nan 0.000 0.474 302 L N 2.114 123.364 121.223 0.045 0.000 2.478 302 L HA 0.144 4.476 4.340 -0.014 0.000 0.223 302 L C 0.864 177.743 176.870 0.015 0.000 1.140 302 L CA 0.377 55.254 54.840 0.061 0.000 0.842 302 L CB -0.266 41.803 42.059 0.017 0.000 0.953 302 L HN 0.507 nan 8.230 nan 0.000 0.452 303 N N 1.116 119.815 118.700 -0.002 0.000 2.420 303 N HA 0.100 4.831 4.740 -0.014 0.000 0.249 303 N C -1.549 173.937 175.510 -0.040 0.000 1.033 303 N CA -2.041 51.006 53.050 -0.004 0.000 0.944 303 N CB 1.384 39.879 38.487 0.013 0.000 1.113 303 N HN -0.110 nan 8.380 nan 0.000 0.502 304 P HA -0.074 nan 4.420 nan 0.000 0.219 304 P C -0.538 176.405 177.300 -0.595 0.000 1.150 304 P CA 1.344 64.235 63.100 -0.348 0.000 0.814 304 P CB 0.286 31.732 31.700 -0.424 0.000 0.787 305 H N -0.599 118.474 119.070 0.005 0.000 2.448 305 H HA 0.393 4.941 4.556 -0.014 0.000 0.237 305 H C -2.483 172.804 175.328 -0.068 0.000 1.391 305 H CA -2.248 53.763 56.048 -0.062 0.000 1.477 305 H CB 0.386 30.058 29.762 -0.149 0.000 1.520 305 H HN 0.174 nan 8.280 nan 0.000 0.502 306 P HA 0.371 nan 4.420 nan 0.000 0.276 306 P C -0.504 176.809 177.300 0.022 0.000 1.243 306 P CA -0.079 63.034 63.100 0.022 0.000 0.768 306 P CB 1.285 32.968 31.700 -0.028 0.000 0.856 307 A N 2.458 125.354 122.820 0.126 0.000 2.609 307 A HA 0.859 5.170 4.320 -0.014 0.000 0.291 307 A C -1.514 176.336 177.584 0.443 0.000 1.096 307 A CA -0.577 51.584 52.037 0.208 0.000 0.684 307 A CB 1.579 20.539 19.000 -0.066 0.000 1.282 307 A HN 0.491 nan 8.150 nan 0.000 0.412 308 A N 0.261 123.405 122.820 0.540 0.000 2.413 308 A HA 0.821 5.132 4.320 -0.014 0.000 0.307 308 A C -0.865 177.078 177.584 0.599 0.000 1.087 308 A CA -0.510 51.852 52.037 0.542 0.000 0.750 308 A CB 0.784 20.087 19.000 0.504 0.000 1.296 308 A HN 0.788 nan 8.150 nan 0.000 0.423 309 I N 0.800 121.607 120.570 0.395 0.000 2.359 309 I HA 0.333 4.495 4.170 -0.014 0.000 0.294 309 I C -1.281 175.009 176.117 0.290 0.000 0.987 309 I CA -0.160 61.279 61.300 0.232 0.000 1.225 309 I CB 1.226 39.214 38.000 -0.021 0.000 1.366 309 I HN 0.485 nan 8.210 nan 0.000 0.466 310 F N 5.122 125.119 119.950 0.078 0.000 2.293 310 F HA 0.267 4.786 4.527 -0.014 0.000 0.370 310 F C 0.476 176.346 175.800 0.118 0.000 1.090 310 F CA -0.452 57.573 58.000 0.042 0.000 1.133 310 F CB 0.275 39.276 39.000 0.001 0.000 1.360 310 F HN 0.428 nan 8.300 nan 0.000 0.489 311 H N 4.101 123.194 119.070 0.038 0.000 2.562 311 H HA 0.188 4.735 4.556 -0.014 0.000 0.314 311 H C -1.134 174.248 175.328 0.091 0.000 1.079 311 H CA -0.393 55.697 56.048 0.069 0.000 1.349 311 H CB 0.734 30.485 29.762 -0.017 0.000 1.432 311 H HN 0.396 nan 8.280 nan 0.000 0.479 312 Y N 2.478 122.474 120.300 -0.508 0.000 2.336 312 Y HA 0.221 4.763 4.550 -0.014 0.000 0.335 312 Y C 0.594 176.082 175.900 -0.687 0.000 1.046 312 Y CA -0.218 57.651 58.100 -0.385 0.000 1.198 312 Y CB 0.920 39.297 38.460 -0.138 0.000 1.182 312 Y HN 0.717 nan 8.280 nan 0.000 0.502 313 A N 2.801 125.471 122.820 -0.249 0.000 2.524 313 A HA 0.414 4.725 4.320 -0.014 0.000 0.250 313 A C 1.335 178.908 177.584 -0.019 0.000 1.078 313 A CA 0.847 52.818 52.037 -0.109 0.000 0.761 313 A CB -0.927 18.065 19.000 -0.014 0.000 1.012 313 A HN 1.476 nan 8.150 nan 0.000 0.500 314 G N 0.797 109.624 108.800 0.045 0.000 2.195 314 G HA2 0.183 4.135 3.960 -0.014 0.000 0.224 314 G HA3 0.183 4.135 3.960 -0.014 0.000 0.224 314 G C 0.521 175.463 174.900 0.070 0.000 0.990 314 G CA 0.326 45.464 45.100 0.064 0.000 0.639 314 G HN 2.093 nan 8.290 nan 0.000 0.514 315 A N 0.428 123.288 122.820 0.068 0.000 2.271 315 A HA 0.837 5.148 4.320 -0.014 0.000 0.288 315 A C -1.643 176.075 177.584 0.225 0.000 1.094 315 A CA -0.968 51.123 52.037 0.090 0.000 0.828 315 A CB 0.441 19.442 19.000 0.002 0.000 1.091 315 A HN 0.163 nan 8.150 nan 0.000 0.493 316 P HA 0.312 nan 4.420 nan 0.000 0.272 316 P C 0.666 177.990 177.300 0.040 0.000 1.240 316 P CA 0.204 63.338 63.100 0.057 0.000 0.791 316 P CB 0.601 32.301 31.700 -0.000 0.000 0.978 317 G N -0.323 108.447 108.800 -0.051 0.000 2.514 317 G HA2 0.495 4.447 3.960 -0.014 0.000 0.245 317 G HA3 0.495 4.447 3.960 -0.014 0.000 0.245 317 G C 0.244 175.077 174.900 -0.112 0.000 1.488 317 G CA -0.055 44.961 45.100 -0.139 0.000 1.063 317 G HN 0.842 nan 8.290 nan 0.000 0.557 318 G N -2.058 106.673 108.800 -0.115 0.000 2.741 318 G HA2 -0.097 3.854 3.960 -0.014 0.000 0.222 318 G HA3 -0.097 3.854 3.960 -0.014 0.000 0.222 318 G C -0.194 174.607 174.900 -0.165 0.000 1.364 318 G CA -0.216 44.823 45.100 -0.102 0.000 0.866 318 G HN 0.862 nan 8.290 nan 0.000 0.555 319 L N 0.864 121.981 121.223 -0.178 0.000 2.375 319 L HA 0.450 4.781 4.340 -0.014 0.000 0.271 319 L C -1.806 174.772 176.870 -0.487 0.000 1.107 319 L CA -1.753 52.874 54.840 -0.355 0.000 0.806 319 L CB 1.112 43.075 42.059 -0.159 0.000 1.146 319 L HN 0.327 nan 8.230 nan 0.000 0.447 320 P HA 0.048 nan 4.420 nan 0.000 0.268 320 P C 0.554 177.566 177.300 -0.481 0.000 1.204 320 P CA -0.144 62.437 63.100 -0.865 0.000 0.768 320 P CB 0.764 31.546 31.700 -1.530 0.000 0.842 321 T N -2.159 112.229 114.554 -0.277 0.000 3.054 321 T HA 0.000 4.342 4.350 -0.014 0.000 0.259 321 T C 0.566 175.266 174.700 0.000 0.000 1.092 321 T CA 0.368 62.412 62.100 -0.094 0.000 1.121 321 T CB -0.290 68.520 68.868 -0.097 0.000 0.912 321 T HN 0.242 nan 8.240 nan 0.000 0.489 322 D N 1.554 121.943 120.400 -0.018 0.000 2.380 322 D HA 0.211 4.842 4.640 -0.014 0.000 0.230 322 D C 0.849 177.301 176.300 0.254 0.000 1.154 322 D CA -0.310 53.738 54.000 0.080 0.000 0.859 322 D CB 1.124 41.956 40.800 0.054 0.000 1.045 322 D HN 0.301 nan 8.370 nan 0.000 0.495 323 E N 2.172 122.499 120.200 0.211 0.000 2.204 323 E HA 0.115 4.457 4.350 -0.014 0.000 0.194 323 E C 1.147 177.806 176.600 0.099 0.000 0.989 323 E CA 0.547 57.045 56.400 0.163 0.000 0.824 323 E CB 0.013 29.715 29.700 0.003 0.000 0.756 323 E HN 0.752 nan 8.360 nan 0.000 0.477 324 G N 0.864 109.722 108.800 0.097 0.000 2.796 324 G HA2 -0.236 3.715 3.960 -0.014 0.000 0.571 324 G HA3 -0.236 3.715 3.960 -0.014 0.000 0.571 324 G C -0.058 174.852 174.900 0.018 0.000 1.370 324 G CA -0.343 44.797 45.100 0.067 0.000 0.856 324 G HN 0.205 nan 8.290 nan 0.000 0.538 325 T N -0.051 114.509 114.554 0.011 0.000 2.795 325 T HA 0.712 5.054 4.350 -0.014 0.000 0.282 325 T C -1.784 172.908 174.700 -0.014 0.000 0.980 325 T CA -0.817 61.281 62.100 -0.003 0.000 1.012 325 T CB 1.888 70.754 68.868 -0.004 0.000 0.936 325 T HN 0.784 nan 8.240 nan 0.000 0.457 326 P HA 0.242 nan 4.420 nan 0.000 0.267 326 P C -2.100 175.184 177.300 -0.026 0.000 1.205 326 P CA -0.898 62.194 63.100 -0.013 0.000 0.765 326 P CB -0.193 31.511 31.700 0.007 0.000 0.828 327 P HA 0.026 nan 4.420 nan 0.000 0.273 327 P C -0.050 177.198 177.300 -0.086 0.000 1.250 327 P CA -0.307 62.757 63.100 -0.059 0.000 0.793 327 P CB 0.347 32.014 31.700 -0.055 0.000 1.011 328 V N -2.029 117.795 119.914 -0.149 0.000 2.788 328 V HA 0.055 4.167 4.120 -0.014 0.000 0.307 328 V C 0.552 176.469 176.094 -0.295 0.000 1.069 328 V CA -0.292 61.878 62.300 -0.217 0.000 1.173 328 V CB -0.294 31.369 31.823 -0.266 0.000 0.925 328 V HN 0.484 nan 8.190 nan 0.000 0.492 329 D N 2.596 122.885 120.400 -0.185 0.000 2.346 329 D HA 0.063 4.695 4.640 -0.014 0.000 0.260 329 D C 0.959 177.155 176.300 -0.173 0.000 1.252 329 D CA 0.015 53.945 54.000 -0.116 0.000 0.895 329 D CB 0.376 41.149 40.800 -0.046 0.000 1.097 329 D HN 0.747 nan 8.370 nan 0.000 0.489 330 H N 3.129 122.188 119.070 -0.019 0.000 2.555 330 H HA -0.016 4.531 4.556 -0.014 0.000 0.269 330 H C 0.541 175.731 175.328 -0.230 0.000 0.988 330 H CA 0.464 56.450 56.048 -0.104 0.000 1.178 330 H CB 0.478 30.208 29.762 -0.053 0.000 1.373 330 H HN 0.552 nan 8.280 nan 0.000 0.588 331 Q N -0.976 118.782 119.800 -0.070 0.000 2.453 331 Q HA -0.184 4.147 4.340 -0.014 0.000 0.294 331 Q C 0.582 176.447 176.000 -0.226 0.000 1.295 331 Q CA 0.867 56.606 55.803 -0.106 0.000 0.853 331 Q CB -2.688 26.004 28.738 -0.076 0.000 1.193 331 Q HN 0.678 nan 8.270 nan 0.000 0.461 332 c N -1.733 116.645 118.600 -0.371 0.000 4.356 332 c HA -0.226 4.336 4.570 -0.014 0.000 0.296 332 c C 0.600 174.193 174.090 -0.828 0.000 1.424 332 c CA 0.933 56.911 56.329 -0.584 0.000 2.000 332 c CB -2.284 40.096 42.510 -0.217 0.000 1.262 332 c HN 0.496 nan 8.230 nan 0.000 0.789 333 L N 1.300 121.887 121.223 -1.060 0.000 2.385 333 L HA 0.523 4.855 4.340 -0.014 0.000 0.273 333 L C 0.013 176.579 176.870 -0.507 0.000 0.990 333 L CA -0.421 54.066 54.840 -0.588 0.000 0.821 333 L CB 1.349 43.243 42.059 -0.276 0.000 1.279 333 L HN 0.213 nan 8.230 nan 0.000 0.412 334 D N 0.224 120.596 120.400 -0.047 0.000 2.304 334 D HA 0.060 4.691 4.640 -0.014 0.000 0.247 334 D C 0.123 176.494 176.300 0.119 0.000 1.089 334 D CA -0.415 53.727 54.000 0.236 0.000 0.910 334 D CB 1.562 42.587 40.800 0.375 0.000 1.199 334 D HN 0.290 nan 8.370 nan 0.000 0.426 335 T N 1.185 115.818 114.554 0.131 0.000 2.888 335 T HA 0.132 4.473 4.350 -0.014 0.000 0.301 335 T C 1.061 175.829 174.700 0.114 0.000 1.001 335 T CA -0.357 61.798 62.100 0.091 0.000 1.147 335 T CB -0.038 68.863 68.868 0.055 0.000 0.931 335 T HN 0.340 nan 8.240 nan 0.000 0.541 336 L N 3.976 125.244 121.223 0.076 0.000 2.700 336 L HA 0.235 4.566 4.340 -0.014 0.000 0.234 336 L C 1.349 178.258 176.870 0.065 0.000 1.156 336 L CA -0.083 54.803 54.840 0.077 0.000 0.946 336 L CB 0.079 42.169 42.059 0.051 0.000 1.216 336 L HN 0.606 nan 8.230 nan 0.000 0.493 337 D N 0.494 120.930 120.400 0.060 0.000 2.317 337 D HA -0.027 4.605 4.640 -0.014 0.000 0.211 337 D C 1.029 177.364 176.300 0.059 0.000 0.966 337 D CA 0.535 54.564 54.000 0.048 0.000 0.876 337 D CB 0.245 41.066 40.800 0.036 0.000 0.927 337 D HN 0.190 nan 8.370 nan 0.000 0.519 338 V N 0.505 120.469 119.914 0.082 0.000 2.540 338 V HA 0.167 4.278 4.120 -0.014 0.000 0.297 338 V C 0.334 176.478 176.094 0.084 0.000 1.024 338 V CA -0.257 62.100 62.300 0.094 0.000 1.105 338 V CB 0.483 32.393 31.823 0.145 0.000 0.938 338 V HN -0.083 nan 8.190 nan 0.000 0.482 339 R N 4.602 125.146 120.500 0.074 0.000 2.388 339 R HA 0.471 4.802 4.340 -0.014 0.000 0.314 339 R C -2.839 173.505 176.300 0.074 0.000 0.959 339 R CA -2.127 54.014 56.100 0.068 0.000 0.851 339 R CB 1.760 32.094 30.300 0.055 0.000 1.168 339 R HN 0.510 nan 8.270 nan 0.000 0.472 340 P HA -0.053 nan 4.420 nan 0.000 0.267 340 P C 1.069 178.426 177.300 0.095 0.000 1.201 340 P CA -0.060 63.096 63.100 0.093 0.000 0.775 340 P CB 0.817 32.579 31.700 0.104 0.000 0.854 341 V N 2.366 122.347 119.914 0.112 0.000 2.270 341 V HA -0.120 3.991 4.120 -0.014 0.000 0.245 341 V C 1.052 177.217 176.094 0.117 0.000 1.043 341 V CA 1.534 63.904 62.300 0.116 0.000 1.014 341 V CB -0.416 31.490 31.823 0.138 0.000 0.645 341 V HN 0.299 nan 8.190 nan 0.000 0.447 342 V N 3.878 123.875 119.914 0.139 0.000 2.405 342 V HA 0.232 4.344 4.120 -0.014 0.000 0.264 342 V C -1.768 174.371 176.094 0.074 0.000 1.048 342 V CA -1.364 60.996 62.300 0.100 0.000 0.966 342 V CB 0.569 32.429 31.823 0.062 0.000 1.015 342 V HN 0.396 nan 8.190 nan 0.000 0.477 343 P HA 0.478 nan 4.420 nan 0.000 0.278 343 P C -0.844 176.492 177.300 0.059 0.000 1.258 343 P CA -0.711 62.422 63.100 0.056 0.000 0.811 343 P CB 1.359 33.087 31.700 0.047 0.000 1.063 344 R N 0.255 120.781 120.500 0.044 0.000 2.651 344 R HA 0.567 4.898 4.340 -0.014 0.000 0.278 344 R C -0.834 175.427 176.300 -0.065 0.000 1.010 344 R CA -0.667 55.456 56.100 0.039 0.000 0.896 344 R CB 1.957 32.299 30.300 0.069 0.000 1.211 344 R HN 0.449 nan 8.270 nan 0.000 0.456 345 S N 0.979 116.621 115.700 -0.098 0.000 2.532 345 S HA 0.665 5.127 4.470 -0.014 0.000 0.299 345 S C -0.561 173.863 174.600 -0.293 0.000 1.105 345 S CA -0.751 57.363 58.200 -0.143 0.000 1.018 345 S CB 1.931 65.102 63.200 -0.049 0.000 1.021 345 S HN 0.388 nan 8.310 nan 0.000 0.483 346 V N 0.913 120.642 119.914 -0.309 0.000 2.841 346 V HA 0.720 4.831 4.120 -0.014 0.000 0.310 346 V C -3.212 172.819 176.094 -0.105 0.000 1.090 346 V CA -2.788 59.311 62.300 -0.335 0.000 0.930 346 V CB 1.302 32.804 31.823 -0.535 0.000 1.014 346 V HN 0.553 nan 8.190 nan 0.000 0.425 347 P HA 0.368 nan 4.420 nan 0.000 0.282 347 P C 0.644 177.902 177.300 -0.070 0.000 1.274 347 P CA -0.142 62.945 63.100 -0.021 0.000 0.770 347 P CB 1.375 33.075 31.700 -0.000 0.000 0.867 348 V N 0.858 120.731 119.914 -0.069 0.000 3.661 348 V HA 0.009 4.121 4.120 -0.014 0.000 0.271 348 V C 1.484 177.550 176.094 -0.046 0.000 1.315 348 V CA 0.641 62.888 62.300 -0.088 0.000 1.072 348 V CB -0.831 30.974 31.823 -0.031 0.000 0.830 348 V HN 0.436 nan 8.190 nan 0.000 0.443 349 N N 1.567 120.244 118.700 -0.038 0.000 2.331 349 N HA -0.112 4.620 4.740 -0.014 0.000 0.180 349 N C 1.492 176.979 175.510 -0.038 0.000 1.019 349 N CA 1.493 54.532 53.050 -0.018 0.000 0.881 349 N CB -0.247 38.229 38.487 -0.019 0.000 0.972 349 N HN 0.506 nan 8.380 nan 0.000 0.435 350 S N 0.118 115.769 115.700 -0.081 0.000 2.603 350 S HA 0.064 4.526 4.470 -0.014 0.000 0.220 350 S C 0.157 174.655 174.600 -0.170 0.000 0.967 350 S CA -0.424 57.707 58.200 -0.114 0.000 0.920 350 S CB -0.462 62.672 63.200 -0.111 0.000 0.773 350 S HN 0.343 nan 8.310 nan 0.000 0.529 351 F N 3.178 122.937 119.950 -0.320 0.000 2.543 351 F HA 0.322 4.840 4.527 -0.015 0.000 0.375 351 F C -0.315 175.352 175.800 -0.222 0.000 1.075 351 F CA -0.424 57.355 58.000 -0.368 0.000 1.225 351 F CB 0.434 39.182 39.000 -0.420 0.000 1.099 351 F HN -0.195 nan 8.300 nan 0.000 0.561 352 V N 6.853 126.046 119.914 -1.203 0.000 2.531 352 V HA 0.223 4.335 4.120 -0.014 0.000 0.301 352 V C -0.327 175.016 176.094 -1.252 0.000 1.034 352 V CA -1.407 60.351 62.300 -0.904 0.000 0.865 352 V CB 1.717 33.262 31.823 -0.463 0.000 0.995 352 V HN 0.638 nan 8.190 nan 0.000 0.424 353 K N 5.470 125.338 120.400 -0.888 0.000 2.278 353 K HA 0.357 4.669 4.320 -0.014 0.000 0.289 353 K C -0.220 176.189 176.600 -0.319 0.000 1.080 353 K CA -0.143 55.799 56.287 -0.576 0.000 0.934 353 K CB 0.224 32.546 32.500 -0.296 0.000 1.093 353 K HN 0.633 nan 8.250 nan 0.000 0.459 354 R N 3.966 124.301 120.500 -0.274 0.000 2.803 354 R HA 0.228 4.559 4.340 -0.014 0.000 0.276 354 R C -2.001 174.256 176.300 -0.072 0.000 0.978 354 R CA -2.282 53.723 56.100 -0.157 0.000 0.939 354 R CB 1.386 31.585 30.300 -0.169 0.000 1.179 354 R HN 0.349 nan 8.270 nan 0.000 0.472 355 P HA -0.200 nan 4.420 nan 0.000 0.217 355 P C 0.387 177.723 177.300 0.062 0.000 1.148 355 P CA 1.335 64.448 63.100 0.022 0.000 0.828 355 P CB 0.173 31.886 31.700 0.021 0.000 0.783 356 D N -1.314 119.110 120.400 0.041 0.000 2.349 356 D HA -0.074 4.557 4.640 -0.014 0.000 0.224 356 D C 0.772 177.134 176.300 0.103 0.000 1.029 356 D CA 0.551 54.607 54.000 0.094 0.000 0.879 356 D CB -0.943 39.896 40.800 0.065 0.000 0.906 356 D HN 0.274 nan 8.370 nan 0.000 0.528 357 N N -1.161 117.550 118.700 0.020 0.000 2.159 357 N HA 0.022 4.753 4.740 -0.014 0.000 0.217 357 N C -0.622 174.990 175.510 0.171 0.000 1.223 357 N CA -0.264 52.727 53.050 -0.098 0.000 0.896 357 N CB 0.260 38.584 38.487 -0.272 0.000 1.064 357 N HN -0.176 nan 8.380 nan 0.000 0.518 358 T N 1.537 116.203 114.554 0.186 0.000 2.749 358 T HA 0.447 4.788 4.350 -0.014 0.000 0.287 358 T C -0.417 174.430 174.700 0.245 0.000 0.970 358 T CA -0.426 61.791 62.100 0.196 0.000 0.980 358 T CB 1.149 70.081 68.868 0.106 0.000 0.924 358 T HN 0.094 nan 8.240 nan 0.000 0.456 359 L N 6.058 127.446 121.223 0.275 0.000 2.356 359 L HA 0.350 4.681 4.340 -0.014 0.000 0.264 359 L C -2.507 174.488 176.870 0.209 0.000 1.029 359 L CA -2.158 52.831 54.840 0.248 0.000 0.897 359 L CB 1.153 43.394 42.059 0.303 0.000 1.256 359 L HN 0.306 nan 8.230 nan 0.000 0.444 360 P HA 0.133 nan 4.420 nan 0.000 0.282 360 P C -0.426 176.958 177.300 0.141 0.000 1.274 360 P CA -0.180 63.010 63.100 0.151 0.000 0.770 360 P CB 1.288 33.059 31.700 0.119 0.000 0.867 361 V N 3.776 123.787 119.914 0.162 0.000 2.432 361 V HA 0.645 4.757 4.120 -0.014 0.000 0.275 361 V C 0.450 176.652 176.094 0.179 0.000 1.043 361 V CA -0.157 62.244 62.300 0.168 0.000 0.925 361 V CB 0.691 32.623 31.823 0.182 0.000 0.985 361 V HN 0.660 nan 8.190 nan 0.000 0.466 362 A N 5.068 127.983 122.820 0.158 0.000 2.475 362 A HA 0.853 5.165 4.320 -0.014 0.000 0.301 362 A C -1.375 176.202 177.584 -0.011 0.000 1.059 362 A CA -0.636 51.447 52.037 0.077 0.000 0.710 362 A CB 1.684 20.701 19.000 0.029 0.000 1.288 362 A HN 0.762 nan 8.150 nan 0.000 0.408 363 L N 1.558 122.653 121.223 -0.214 0.000 2.272 363 L HA 0.538 4.870 4.340 -0.014 0.000 0.289 363 L C -0.797 175.878 176.870 -0.325 0.000 1.032 363 L CA -0.142 54.364 54.840 -0.557 0.000 0.810 363 L CB 1.191 42.679 42.059 -0.951 0.000 1.205 363 L HN 0.655 nan 8.230 nan 0.000 0.422 364 D N 4.553 124.786 120.400 -0.279 0.000 2.232 364 D HA 0.268 4.899 4.640 -0.014 0.000 0.242 364 D C 0.267 176.447 176.300 -0.199 0.000 1.093 364 D CA -0.016 53.877 54.000 -0.178 0.000 0.845 364 D CB 1.238 41.963 40.800 -0.124 0.000 1.124 364 D HN 0.664 nan 8.370 nan 0.000 0.467 365 L N 2.794 123.922 121.223 -0.159 0.000 2.906 365 L HA 0.081 4.413 4.340 -0.014 0.000 0.255 365 L C 2.000 178.785 176.870 -0.142 0.000 1.166 365 L CA 0.039 54.775 54.840 -0.173 0.000 0.977 365 L CB 0.435 42.423 42.059 -0.119 0.000 1.313 365 L HN 0.416 nan 8.230 nan 0.000 0.549 366 T N -3.375 111.112 114.554 -0.111 0.000 3.035 366 T HA 0.146 4.488 4.350 -0.014 0.000 0.259 366 T C 1.112 175.761 174.700 -0.086 0.000 1.078 366 T CA 0.563 62.611 62.100 -0.086 0.000 1.132 366 T CB 0.124 68.955 68.868 -0.062 0.000 0.900 366 T HN 0.204 nan 8.240 nan 0.000 0.480 367 G N 1.393 110.137 108.800 -0.094 0.000 2.606 367 G HA2 0.532 4.483 3.960 -0.014 0.000 0.262 367 G HA3 0.532 4.483 3.960 -0.014 0.000 0.262 367 G C -0.663 174.180 174.900 -0.097 0.000 1.394 367 G CA -0.300 44.751 45.100 -0.081 0.000 1.044 367 G HN 0.517 nan 8.290 nan 0.000 0.553 368 T N 0.236 114.745 114.554 -0.074 0.000 2.809 368 T HA 0.655 4.997 4.350 -0.014 0.000 0.284 368 T C -2.090 172.578 174.700 -0.054 0.000 0.992 368 T CA -1.128 60.928 62.100 -0.072 0.000 0.957 368 T CB 1.742 70.580 68.868 -0.049 0.000 0.942 368 T HN 0.524 nan 8.240 nan 0.000 0.439 369 P HA 0.289 nan 4.420 nan 0.000 0.275 369 P C 0.860 178.052 177.300 -0.181 0.000 1.266 369 P CA -0.808 62.232 63.100 -0.101 0.000 0.793 369 P CB 0.994 32.659 31.700 -0.059 0.000 1.074 370 L N -0.168 120.872 121.223 -0.304 0.000 2.017 370 L HA -0.003 4.328 4.340 -0.014 0.000 0.208 370 L C 0.890 177.385 176.870 -0.626 0.000 1.073 370 L CA 1.575 56.094 54.840 -0.536 0.000 0.745 370 L CB -0.843 40.731 42.059 -0.808 0.000 0.894 370 L HN 0.210 nan 8.230 nan 0.000 0.432 371 F N 0.024 119.904 119.950 -0.116 0.000 2.377 371 F HA 0.392 4.914 4.527 -0.008 0.000 0.360 371 F C -0.150 175.543 175.800 -0.177 0.000 1.147 371 F CA -0.745 57.148 58.000 -0.179 0.000 1.170 371 F CB 0.184 39.168 39.000 -0.026 0.000 1.339 371 F HN -0.392 nan 8.300 nan 0.000 0.552 372 V N 2.848 122.661 119.914 -0.170 0.000 2.407 372 V HA 0.266 4.377 4.120 -0.014 0.000 0.291 372 V C -0.908 175.041 176.094 -0.242 0.000 1.018 372 V CA -1.164 61.074 62.300 -0.104 0.000 0.842 372 V CB 1.092 32.865 31.823 -0.083 0.000 0.996 372 V HN 0.563 nan 8.190 nan 0.000 0.426 373 W N 4.787 126.100 121.300 0.022 0.000 2.331 373 W HA 0.555 5.210 4.660 -0.007 0.000 0.306 373 W C 0.396 176.891 176.519 -0.039 0.000 1.162 373 W CA -0.497 56.828 57.345 -0.032 0.000 1.232 373 W CB 0.984 30.395 29.460 -0.082 0.000 1.235 373 W HN 0.302 nan 8.180 nan 0.000 0.479 374 K N 2.736 123.226 120.400 0.150 0.000 2.221 374 K HA 0.618 4.929 4.320 -0.014 0.000 0.258 374 K C -1.093 175.563 176.600 0.093 0.000 0.944 374 K CA -1.073 55.265 56.287 0.086 0.000 0.823 374 K CB 2.362 34.879 32.500 0.029 0.000 1.113 374 K HN 0.124 nan 8.250 nan 0.000 0.431 375 V N 3.136 123.088 119.914 0.063 0.000 2.350 375 V HA 0.153 4.265 4.120 -0.014 0.000 0.285 375 V C 0.110 176.234 176.094 0.051 0.000 1.014 375 V CA -0.795 61.542 62.300 0.062 0.000 0.831 375 V CB 0.762 32.608 31.823 0.039 0.000 1.000 375 V HN 0.941 nan 8.190 nan 0.000 0.433 376 N N 3.822 122.563 118.700 0.067 0.000 2.783 376 N HA -0.171 4.561 4.740 -0.014 0.000 0.247 376 N C 1.004 176.539 175.510 0.042 0.000 1.089 376 N CA 1.732 54.819 53.050 0.062 0.000 0.690 376 N CB -1.089 37.438 38.487 0.066 0.000 0.991 376 N HN 1.654 nan 8.380 nan 0.000 0.552 377 G N -1.897 106.925 108.800 0.037 0.000 2.148 377 G HA2 -0.199 3.753 3.960 -0.014 0.000 0.254 377 G HA3 -0.199 3.753 3.960 -0.014 0.000 0.254 377 G C -0.064 174.844 174.900 0.013 0.000 0.981 377 G CA 0.913 46.026 45.100 0.022 0.000 0.670 377 G HN 1.479 nan 8.290 nan 0.000 0.528 378 S N 0.587 116.296 115.700 0.015 0.000 2.575 378 S HA 0.525 4.986 4.470 -0.014 0.000 0.278 378 S C -0.919 173.686 174.600 0.010 0.000 1.139 378 S CA 0.011 58.214 58.200 0.006 0.000 0.954 378 S CB 1.290 64.489 63.200 -0.002 0.000 1.054 378 S HN 0.538 nan 8.310 nan 0.000 0.483 379 D N 4.339 124.744 120.400 0.008 0.000 2.280 379 D HA 0.216 4.847 4.640 -0.014 0.000 0.243 379 D C 0.457 176.754 176.300 -0.005 0.000 1.129 379 D CA -0.452 53.560 54.000 0.020 0.000 0.848 379 D CB 0.812 41.630 40.800 0.030 0.000 1.107 379 D HN 0.584 nan 8.370 nan 0.000 0.471 380 I N 1.972 122.534 120.570 -0.015 0.000 2.752 380 I HA -0.037 4.124 4.170 -0.014 0.000 0.287 380 I C 0.184 176.264 176.117 -0.061 0.000 1.188 380 I CA 0.418 61.690 61.300 -0.048 0.000 1.427 380 I CB 0.296 38.255 38.000 -0.068 0.000 1.365 380 I HN 0.423 nan 8.210 nan 0.000 0.585 381 N N 6.853 125.502 118.700 -0.085 0.000 2.793 381 N HA 0.142 4.874 4.740 -0.014 0.000 0.251 381 N C -1.092 174.336 175.510 -0.137 0.000 1.308 381 N CA -0.434 52.543 53.050 -0.122 0.000 0.781 381 N CB 1.302 39.728 38.487 -0.102 0.000 1.439 381 N HN 0.362 nan 8.380 nan 0.000 0.562 382 V N 0.202 120.016 119.914 -0.167 0.000 2.881 382 V HA 0.449 4.560 4.120 -0.014 0.000 0.303 382 V C 0.333 176.315 176.094 -0.186 0.000 1.070 382 V CA -0.278 61.944 62.300 -0.132 0.000 1.074 382 V CB 1.418 33.193 31.823 -0.080 0.000 1.012 382 V HN 0.437 nan 8.190 nan 0.000 0.482 383 D N 3.447 123.816 120.400 -0.051 0.000 2.412 383 D HA 0.243 4.874 4.640 -0.014 0.000 0.224 383 D C 0.409 176.778 176.300 0.115 0.000 1.093 383 D CA -0.463 53.527 54.000 -0.016 0.000 0.850 383 D CB 0.823 41.672 40.800 0.083 0.000 1.046 383 D HN 0.714 nan 8.370 nan 0.000 0.507 384 W N 2.725 124.002 121.300 -0.037 0.000 2.392 384 W HA 0.007 4.659 4.660 -0.013 0.000 0.279 384 W C 1.976 178.556 176.519 0.102 0.000 1.225 384 W CA 0.873 58.192 57.345 -0.043 0.000 1.233 384 W CB -0.857 28.586 29.460 -0.028 0.000 1.122 384 W HN 0.558 nan 8.180 nan 0.000 0.561 385 G N -0.511 108.494 108.800 0.342 0.000 2.494 385 G HA2 -0.101 3.850 3.960 -0.014 0.000 0.216 385 G HA3 -0.101 3.850 3.960 -0.014 0.000 0.216 385 G C 0.653 175.655 174.900 0.169 0.000 1.140 385 G CA 0.171 45.433 45.100 0.270 0.000 0.801 385 G HN 0.098 nan 8.290 nan 0.000 0.536 386 K N 1.007 121.499 120.400 0.155 0.000 2.701 386 K HA 0.361 4.672 4.320 -0.014 0.000 0.212 386 K C -2.886 173.860 176.600 0.244 0.000 1.035 386 K CA -1.663 54.706 56.287 0.137 0.000 1.048 386 K CB 2.321 34.855 32.500 0.057 0.000 1.234 386 K HN -0.020 nan 8.250 nan 0.000 0.540 387 P HA 0.065 nan 4.420 nan 0.000 0.273 387 P C 0.951 178.490 177.300 0.399 0.000 1.250 387 P CA -0.625 62.662 63.100 0.311 0.000 0.793 387 P CB 0.655 32.575 31.700 0.367 0.000 1.011 388 I N 0.619 121.346 120.570 0.261 0.000 2.361 388 I HA -0.166 3.996 4.170 -0.014 0.000 0.251 388 I C 1.867 178.093 176.117 0.183 0.000 1.133 388 I CA 1.552 62.981 61.300 0.216 0.000 1.413 388 I CB -1.089 36.877 38.000 -0.058 0.000 1.073 388 I HN 0.336 nan 8.210 nan 0.000 0.424 389 I N 0.666 121.258 120.570 0.037 0.000 2.493 389 I HA -0.246 3.915 4.170 -0.014 0.000 0.254 389 I C 2.170 178.155 176.117 -0.219 0.000 1.160 389 I CA 1.285 62.454 61.300 -0.218 0.000 1.445 389 I CB -1.249 36.425 38.000 -0.544 0.000 1.086 389 I HN 0.220 nan 8.210 nan 0.000 0.433 390 D N 0.096 120.542 120.400 0.076 0.000 2.144 390 D HA -0.203 4.429 4.640 -0.014 0.000 0.200 390 D C 2.180 178.500 176.300 0.035 0.000 0.978 390 D CA 1.244 55.320 54.000 0.126 0.000 0.833 390 D CB -0.021 40.928 40.800 0.248 0.000 0.961 390 D HN 0.279 nan 8.370 nan 0.000 0.470 391 Y N -0.037 120.322 120.300 0.099 0.000 2.242 391 Y HA -0.084 4.457 4.550 -0.014 0.000 0.291 391 Y C 2.172 178.126 175.900 0.089 0.000 1.137 391 Y CA 0.423 58.590 58.100 0.110 0.000 1.181 391 Y CB -0.020 38.587 38.460 0.245 0.000 0.989 391 Y HN 0.094 nan 8.280 nan 0.000 0.527 392 I N -0.383 120.320 120.570 0.222 0.000 2.286 392 I HA -0.245 3.917 4.170 -0.014 0.000 0.245 392 I C 2.058 178.190 176.117 0.025 0.000 1.104 392 I CA 1.508 62.872 61.300 0.107 0.000 1.397 392 I CB -1.142 36.867 38.000 0.016 0.000 1.072 392 I HN 0.277 nan 8.210 nan 0.000 0.417 393 L N 0.347 121.551 121.223 -0.031 0.000 2.291 393 L HA -0.124 4.208 4.340 -0.014 0.000 0.214 393 L C 2.118 178.982 176.870 -0.010 0.000 1.120 393 L CA 1.430 56.243 54.840 -0.046 0.000 0.799 393 L CB -0.601 41.399 42.059 -0.099 0.000 0.925 393 L HN 0.353 nan 8.230 nan 0.000 0.446 394 T N -4.508 110.047 114.554 0.002 0.000 3.069 394 T HA 0.258 4.599 4.350 -0.014 0.000 0.252 394 T C 1.367 176.071 174.700 0.006 0.000 1.053 394 T CA 0.321 62.419 62.100 -0.003 0.000 0.964 394 T CB 0.598 69.447 68.868 -0.030 0.000 1.005 394 T HN 0.355 nan 8.240 nan 0.000 0.532 395 G N 1.972 110.786 108.800 0.025 0.000 2.198 395 G HA2 -0.262 3.689 3.960 -0.014 0.000 0.260 395 G HA3 -0.262 3.689 3.960 -0.014 0.000 0.260 395 G C -0.124 174.786 174.900 0.017 0.000 1.025 395 G CA -0.028 45.088 45.100 0.026 0.000 0.769 395 G HN 0.711 nan 8.290 nan 0.000 0.507 396 N N 0.496 119.217 118.700 0.036 0.000 2.426 396 N HA 0.437 5.169 4.740 -0.014 0.000 0.257 396 N C 1.431 176.879 175.510 -0.102 0.000 1.002 396 N CA 0.364 53.427 53.050 0.022 0.000 0.942 396 N CB 1.064 39.598 38.487 0.078 0.000 1.112 396 N HN 0.319 nan 8.380 nan 0.000 0.499 397 T N -1.139 113.256 114.554 -0.265 0.000 3.069 397 T HA 0.148 4.489 4.350 -0.014 0.000 0.252 397 T C 0.339 174.534 174.700 -0.841 0.000 1.053 397 T CA -0.215 61.490 62.100 -0.658 0.000 0.964 397 T CB -0.155 68.557 68.868 -0.260 0.000 1.005 397 T HN 0.223 nan 8.240 nan 0.000 0.532 398 S N 2.571 117.995 115.700 -0.461 0.000 4.087 398 S HA 0.318 4.779 4.470 -0.014 0.000 0.213 398 S C -0.785 173.613 174.600 -0.336 0.000 1.415 398 S CA -0.731 57.302 58.200 -0.278 0.000 0.893 398 S CB -0.938 62.216 63.200 -0.077 0.000 1.529 398 S HN 0.457 nan 8.310 nan 0.000 0.457 399 Y N 1.885 122.055 120.300 -0.216 0.000 2.442 399 Y HA 0.294 4.835 4.550 -0.015 0.000 0.330 399 Y C -1.719 174.033 175.900 -0.246 0.000 1.129 399 Y CA -2.595 55.240 58.100 -0.441 0.000 1.365 399 Y CB -0.736 37.513 38.460 -0.352 0.000 1.233 399 Y HN 0.322 nan 8.280 nan 0.000 0.529 400 P HA 0.032 nan 4.420 nan 0.000 0.272 400 P C 0.710 177.998 177.300 -0.020 0.000 1.223 400 P CA -0.205 62.878 63.100 -0.029 0.000 0.784 400 P CB 0.875 32.569 31.700 -0.009 0.000 0.923 401 V N 0.942 120.851 119.914 -0.009 0.000 2.332 401 V HA -0.222 3.889 4.120 -0.014 0.000 0.248 401 V C 2.048 178.128 176.094 -0.023 0.000 1.055 401 V CA 2.319 64.614 62.300 -0.009 0.000 1.038 401 V CB -1.111 30.710 31.823 -0.003 0.000 0.651 401 V HN 0.580 nan 8.190 nan 0.000 0.450 402 S N -0.612 115.072 115.700 -0.027 0.000 2.474 402 S HA -0.159 4.303 4.470 -0.014 0.000 0.235 402 S C 1.583 176.148 174.600 -0.059 0.000 0.997 402 S CA 0.909 59.086 58.200 -0.039 0.000 0.949 402 S CB -0.344 62.833 63.200 -0.038 0.000 0.766 402 S HN 0.611 nan 8.310 nan 0.000 0.517 403 D N 1.365 121.725 120.400 -0.068 0.000 2.355 403 D HA 0.033 4.664 4.640 -0.014 0.000 0.218 403 D C -0.156 176.071 176.300 -0.120 0.000 1.004 403 D CA 0.178 54.120 54.000 -0.098 0.000 0.880 403 D CB -0.134 40.595 40.800 -0.118 0.000 0.911 403 D HN 0.171 nan 8.370 nan 0.000 0.528 404 N N 1.058 119.700 118.700 -0.096 0.000 2.688 404 N HA -0.182 4.550 4.740 -0.014 0.000 0.258 404 N C -0.551 174.869 175.510 -0.151 0.000 1.016 404 N CA 0.392 53.380 53.050 -0.104 0.000 0.747 404 N CB -1.094 37.332 38.487 -0.101 0.000 0.895 404 N HN 0.315 nan 8.380 nan 0.000 0.543 405 I N 0.677 121.161 120.570 -0.143 0.000 2.421 405 I HA 0.058 4.219 4.170 -0.014 0.000 0.291 405 I C 0.656 176.708 176.117 -0.108 0.000 1.089 405 I CA -0.135 61.053 61.300 -0.187 0.000 1.354 405 I CB 0.534 38.365 38.000 -0.281 0.000 1.413 405 I HN -0.117 nan 8.210 nan 0.000 0.513 406 V N 7.452 127.294 119.914 -0.120 0.000 2.257 406 V HA 0.195 4.306 4.120 -0.014 0.000 0.269 406 V C 0.478 176.641 176.094 0.114 0.000 1.040 406 V CA -0.672 61.627 62.300 -0.003 0.000 0.813 406 V CB 0.848 32.594 31.823 -0.127 0.000 1.065 406 V HN 0.694 nan 8.190 nan 0.000 0.457 407 Q N 3.371 123.233 119.800 0.102 0.000 2.281 407 Q HA 0.340 4.672 4.340 -0.014 0.000 0.267 407 Q C -0.887 175.227 176.000 0.191 0.000 1.053 407 Q CA -0.139 55.732 55.803 0.113 0.000 0.905 407 Q CB 1.186 29.974 28.738 0.084 0.000 1.195 407 Q HN 0.609 nan 8.270 nan 0.000 0.398 408 V N 5.248 125.282 119.914 0.201 0.000 2.293 408 V HA 0.097 4.208 4.120 -0.014 0.000 0.275 408 V C 0.077 176.244 176.094 0.122 0.000 1.021 408 V CA -0.537 61.883 62.300 0.199 0.000 0.815 408 V CB 1.258 33.209 31.823 0.213 0.000 1.025 408 V HN 0.839 nan 8.190 nan 0.000 0.448 409 D N 3.071 123.528 120.400 0.095 0.000 2.323 409 D HA 0.085 4.717 4.640 -0.014 0.000 0.209 409 D C 1.379 177.702 176.300 0.039 0.000 0.973 409 D CA 0.535 54.574 54.000 0.065 0.000 0.874 409 D CB 0.481 41.317 40.800 0.059 0.000 0.930 409 D HN 0.685 nan 8.370 nan 0.000 0.521 410 A N 1.066 123.899 122.820 0.022 0.000 2.561 410 A HA 0.121 4.433 4.320 -0.014 0.000 0.251 410 A C 0.354 177.922 177.584 -0.025 0.000 1.062 410 A CA 0.110 52.137 52.037 -0.017 0.000 0.761 410 A CB 0.220 19.186 19.000 -0.057 0.000 0.986 410 A HN -0.028 nan 8.150 nan 0.000 0.510 411 V N 4.213 124.112 119.914 -0.025 0.000 2.334 411 V HA 0.222 4.334 4.120 -0.014 0.000 0.267 411 V C 0.593 176.652 176.094 -0.059 0.000 1.040 411 V CA 0.530 62.816 62.300 -0.024 0.000 0.866 411 V CB 0.391 32.211 31.823 -0.006 0.000 1.019 411 V HN 1.106 nan 8.190 nan 0.000 0.468 412 D N 3.093 123.442 120.400 -0.085 0.000 2.772 412 D HA -0.164 4.468 4.640 -0.014 0.000 0.233 412 D C 0.269 176.434 176.300 -0.226 0.000 1.143 412 D CA 1.101 55.013 54.000 -0.146 0.000 0.700 412 D CB -0.158 40.584 40.800 -0.098 0.000 1.076 412 D HN 0.607 nan 8.370 nan 0.000 0.430 413 Q N -0.908 118.748 119.800 -0.240 0.000 2.399 413 Q HA 0.419 4.750 4.340 -0.014 0.000 0.276 413 Q C -0.241 175.542 176.000 -0.362 0.000 1.098 413 Q CA -0.604 55.052 55.803 -0.245 0.000 0.827 413 Q CB 0.644 29.319 28.738 -0.105 0.000 1.386 413 Q HN 0.218 nan 8.270 nan 0.000 0.443 414 W N 1.695 122.844 121.300 -0.253 0.000 2.303 414 W HA 0.213 4.864 4.660 -0.015 0.000 0.318 414 W C 0.568 176.699 176.519 -0.646 0.000 1.362 414 W CA 0.021 57.092 57.345 -0.456 0.000 1.234 414 W CB 0.665 29.847 29.460 -0.464 0.000 1.248 414 W HN 0.349 nan 8.180 nan 0.000 0.546 415 T N 0.961 115.172 114.554 -0.571 0.000 2.792 415 T HA 0.497 4.839 4.350 -0.014 0.000 0.280 415 T C -1.091 173.105 174.700 -0.839 0.000 0.990 415 T CA -0.878 60.819 62.100 -0.672 0.000 0.960 415 T CB 0.601 69.128 68.868 -0.569 0.000 0.939 415 T HN 0.215 nan 8.240 nan 0.000 0.439 416 Y N 1.396 121.315 120.300 -0.635 0.000 2.330 416 Y HA 0.594 5.135 4.550 -0.015 0.000 0.336 416 Y C -0.590 174.737 175.900 -0.955 0.000 1.036 416 Y CA -1.002 56.760 58.100 -0.563 0.000 1.125 416 Y CB 1.278 39.565 38.460 -0.288 0.000 1.194 416 Y HN 0.679 nan 8.280 nan 0.000 0.469 417 W N 4.891 126.190 121.300 -0.001 0.000 2.715 417 W HA 0.529 5.180 4.660 -0.015 0.000 0.331 417 W C -1.484 175.025 176.519 -0.017 0.000 1.031 417 W CA -0.735 56.626 57.345 0.026 0.000 1.237 417 W CB 1.341 30.811 29.460 0.017 0.000 1.378 417 W HN 0.243 nan 8.180 nan 0.000 0.454 418 L N 5.220 126.552 121.223 0.181 0.000 2.257 418 L HA 0.598 4.930 4.340 -0.014 0.000 0.290 418 L C -0.902 176.118 176.870 0.250 0.000 1.044 418 L CA -0.584 54.328 54.840 0.119 0.000 0.810 418 L CB 0.162 42.236 42.059 0.024 0.000 1.193 418 L HN 0.312 nan 8.230 nan 0.000 0.425 419 I N 4.722 125.465 120.570 0.288 0.000 2.312 419 I HA 0.335 4.497 4.170 -0.014 0.000 0.290 419 I C 0.020 176.327 176.117 0.316 0.000 1.008 419 I CA -0.108 61.382 61.300 0.317 0.000 1.226 419 I CB 1.213 39.429 38.000 0.360 0.000 1.371 419 I HN 0.563 nan 8.210 nan 0.000 0.468 420 E N 4.511 124.881 120.200 0.283 0.000 2.216 420 E HA 0.265 4.606 4.350 -0.014 0.000 0.279 420 E C -0.340 176.413 176.600 0.255 0.000 0.997 420 E CA -0.662 55.914 56.400 0.293 0.000 0.817 420 E CB 1.152 30.999 29.700 0.245 0.000 1.096 420 E HN 0.296 nan 8.360 nan 0.000 0.393 421 N N 3.074 121.926 118.700 0.255 0.000 3.234 421 N HA 0.015 4.746 4.740 -0.014 0.000 0.272 421 N C -1.076 174.545 175.510 0.184 0.000 1.254 421 N CA -0.148 53.038 53.050 0.227 0.000 1.087 421 N CB -0.205 38.396 38.487 0.190 0.000 1.356 421 N HN 0.449 nan 8.380 nan 0.000 0.511 422 D N 0.860 121.361 120.400 0.170 0.000 2.802 422 D HA -0.162 4.470 4.640 -0.014 0.000 0.229 422 D C -1.610 174.742 176.300 0.086 0.000 1.203 422 D CA 0.030 54.095 54.000 0.108 0.000 0.712 422 D CB 0.190 41.036 40.800 0.076 0.000 0.973 422 D HN 0.365 nan 8.370 nan 0.000 0.407 423 P HA -0.092 nan 4.420 nan 0.000 0.219 423 P C 0.896 178.230 177.300 0.057 0.000 1.150 423 P CA 0.834 63.992 63.100 0.096 0.000 0.814 423 P CB 0.294 32.073 31.700 0.132 0.000 0.787 424 E N -0.514 119.716 120.200 0.050 0.000 2.463 424 E HA 0.193 4.534 4.350 -0.014 0.000 0.193 424 E C 1.185 177.796 176.600 0.019 0.000 1.041 424 E CA 0.078 56.497 56.400 0.032 0.000 0.879 424 E CB -0.208 29.511 29.700 0.032 0.000 0.997 424 E HN 0.156 nan 8.360 nan 0.000 0.478 425 G N 2.351 111.156 108.800 0.009 0.000 2.528 425 G HA2 0.240 4.192 3.960 -0.014 0.000 0.289 425 G HA3 0.240 4.192 3.960 -0.014 0.000 0.289 425 G C -1.226 173.680 174.900 0.010 0.000 1.192 425 G CA -0.932 44.157 45.100 -0.018 0.000 0.921 425 G HN -0.105 nan 8.290 nan 0.000 0.512 426 P HA -0.007 nan 4.420 nan 0.000 0.215 426 P C 0.092 177.543 177.300 0.251 0.000 1.157 426 P CA 1.202 64.393 63.100 0.152 0.000 0.863 426 P CB -0.026 31.815 31.700 0.236 0.000 0.787 427 F N -2.539 117.441 119.950 0.051 0.000 2.662 427 F HA 0.789 5.305 4.527 -0.018 0.000 0.312 427 F C -1.079 174.779 175.800 0.098 0.000 1.113 427 F CA -1.673 56.365 58.000 0.064 0.000 0.951 427 F CB 1.210 40.249 39.000 0.065 0.000 1.344 427 F HN -0.293 nan 8.300 nan 0.000 0.462 428 S N 1.918 117.644 115.700 0.043 0.000 2.548 428 S HA 0.804 5.265 4.470 -0.014 0.000 0.276 428 S C -1.514 173.137 174.600 0.085 0.000 1.129 428 S CA -0.593 57.602 58.200 -0.008 0.000 0.931 428 S CB 1.072 64.288 63.200 0.027 0.000 1.068 428 S HN 0.770 nan 8.310 nan 0.000 0.480 429 L N 4.221 125.452 121.223 0.013 0.000 2.330 429 L HA 0.594 4.926 4.340 -0.014 0.000 0.271 429 L C -2.349 174.262 176.870 -0.432 0.000 1.013 429 L CA -2.617 52.181 54.840 -0.069 0.000 0.816 429 L CB 2.168 44.282 42.059 0.092 0.000 1.287 429 L HN 0.445 nan 8.230 nan 0.000 0.435 430 P HA 0.128 nan 4.420 nan 0.000 0.271 430 P C -1.373 175.703 177.300 -0.374 0.000 1.216 430 P CA -0.014 62.905 63.100 -0.301 0.000 0.776 430 P CB 0.456 32.044 31.700 -0.187 0.000 0.881 431 H N 2.950 122.028 119.070 0.014 0.000 2.727 431 H HA 0.240 4.787 4.556 -0.015 0.000 0.330 431 H C -2.319 173.063 175.328 0.091 0.000 0.986 431 H CA -2.325 53.741 56.048 0.031 0.000 1.251 431 H CB 1.441 31.172 29.762 -0.052 0.000 1.493 431 H HN 0.267 nan 8.280 nan 0.000 0.515 432 P HA 0.053 nan 4.420 nan 0.000 0.268 432 P C -0.119 177.291 177.300 0.184 0.000 1.541 432 P CA -0.391 62.873 63.100 0.273 0.000 1.093 432 P CB 0.157 32.041 31.700 0.306 0.000 1.551 433 M N 3.500 123.194 119.600 0.156 0.000 2.188 433 M HA 0.159 4.631 4.480 -0.014 0.000 0.354 433 M C 0.333 176.786 176.300 0.255 0.000 1.342 433 M CA -0.005 55.309 55.300 0.024 0.000 1.117 433 M CB -0.804 31.779 32.600 -0.027 0.000 1.670 433 M HN 0.399 nan 8.290 nan 0.000 0.466 434 H N 2.830 121.881 119.070 -0.032 0.000 2.600 434 H HA 0.694 5.241 4.556 -0.014 0.000 0.357 434 H C -2.048 173.419 175.328 0.232 0.000 1.106 434 H CA -0.845 55.282 56.048 0.132 0.000 1.193 434 H CB 1.310 31.071 29.762 -0.001 0.000 1.594 434 H HN 0.582 nan 8.280 nan 0.000 0.526 435 L N 5.189 126.265 121.223 -0.245 0.000 2.329 435 L HA 0.373 4.705 4.340 -0.014 0.000 0.279 435 L C -0.816 175.815 176.870 -0.400 0.000 1.014 435 L CA -0.319 54.495 54.840 -0.042 0.000 0.814 435 L CB 1.124 43.344 42.059 0.268 0.000 1.257 435 L HN 0.804 nan 8.230 nan 0.000 0.424 436 H N 3.463 122.367 119.070 -0.276 0.000 2.511 436 H HA 0.339 4.886 4.556 -0.014 0.000 0.346 436 H C 0.885 175.942 175.328 -0.452 0.000 1.128 436 H CA 0.204 56.166 56.048 -0.143 0.000 1.342 436 H CB 1.282 31.141 29.762 0.162 0.000 1.470 436 H HN 0.942 nan 8.280 nan 0.000 0.546 437 G N 1.776 110.233 108.800 -0.570 0.000 2.196 437 G HA2 -0.251 3.701 3.960 -0.014 0.000 0.268 437 G HA3 -0.251 3.701 3.960 -0.014 0.000 0.268 437 G C 0.160 174.224 174.900 -1.394 0.000 0.975 437 G CA 0.578 44.813 45.100 -1.442 0.000 0.648 437 G HN 0.767 nan 8.290 nan 0.000 0.538 438 H N -0.948 117.656 119.070 -0.777 0.000 2.943 438 H HA 0.540 5.088 4.556 -0.014 0.000 0.323 438 H C -1.454 173.562 175.328 -0.521 0.000 1.296 438 H CA -0.704 54.876 56.048 -0.781 0.000 1.155 438 H CB 1.831 31.192 29.762 -0.667 0.000 1.882 438 H HN 0.128 nan 8.280 nan 0.000 0.553 439 D N 1.541 121.801 120.400 -0.234 0.000 2.549 439 D HA 0.190 4.822 4.640 -0.014 0.000 0.251 439 D C -0.445 175.843 176.300 -0.020 0.000 1.153 439 D CA -0.362 53.557 54.000 -0.136 0.000 0.861 439 D CB 1.115 41.969 40.800 0.091 0.000 1.207 439 D HN 0.180 nan 8.370 nan 0.000 0.543 440 F N 0.548 120.556 119.950 0.097 0.000 2.380 440 F HA 0.573 5.092 4.527 -0.014 0.000 0.321 440 F C -0.228 175.664 175.800 0.154 0.000 1.103 440 F CA -1.240 56.846 58.000 0.143 0.000 1.067 440 F CB 0.343 39.414 39.000 0.119 0.000 1.265 440 F HN 0.042 nan 8.300 nan 0.000 0.517 441 L N 2.421 123.924 121.223 0.466 0.000 2.272 441 L HA 0.438 4.770 4.340 -0.014 0.000 0.289 441 L C -0.738 176.278 176.870 0.244 0.000 1.032 441 L CA -1.166 53.836 54.840 0.270 0.000 0.810 441 L CB 1.577 43.679 42.059 0.072 0.000 1.205 441 L HN 0.471 nan 8.230 nan 0.000 0.422 442 V N 5.430 125.487 119.914 0.238 0.000 2.322 442 V HA 0.097 4.208 4.120 -0.014 0.000 0.258 442 V C 1.246 177.397 176.094 0.096 0.000 1.074 442 V CA -0.188 62.209 62.300 0.161 0.000 0.909 442 V CB 0.622 32.564 31.823 0.198 0.000 1.090 442 V HN 0.725 nan 8.190 nan 0.000 0.486 443 L N 3.366 124.630 121.223 0.069 0.000 2.131 443 L HA 0.363 4.695 4.340 -0.014 0.000 0.206 443 L C 1.209 178.130 176.870 0.085 0.000 1.087 443 L CA 1.191 56.065 54.840 0.056 0.000 0.767 443 L CB -0.226 41.850 42.059 0.028 0.000 0.917 443 L HN 0.793 nan 8.230 nan 0.000 0.441 444 G N -0.270 108.595 108.800 0.109 0.000 2.356 444 G HA2 0.499 4.450 3.960 -0.014 0.000 0.294 444 G HA3 0.499 4.450 3.960 -0.014 0.000 0.294 444 G C -1.655 173.245 174.900 -0.000 0.000 1.423 444 G CA -0.798 44.364 45.100 0.104 0.000 0.806 444 G HN 0.160 nan 8.290 nan 0.000 0.527 445 R N -1.582 118.712 120.500 -0.344 0.000 2.766 445 R HA 0.775 5.107 4.340 -0.014 0.000 0.270 445 R C 0.026 175.488 176.300 -1.397 0.000 1.035 445 R CA -0.425 55.197 56.100 -0.796 0.000 0.911 445 R CB 0.835 30.902 30.300 -0.388 0.000 1.243 445 R HN 1.022 nan 8.270 nan 0.000 0.460 446 S N 0.205 114.947 115.700 -1.597 0.000 2.579 446 S HA 0.223 4.684 4.470 -0.014 0.000 0.275 446 S C -2.195 171.929 174.600 -0.793 0.000 1.345 446 S CA -0.946 56.484 58.200 -1.284 0.000 1.031 446 S CB 0.082 62.752 63.200 -0.884 0.000 0.892 446 S HN 0.442 nan 8.310 nan 0.000 0.529 447 P HA 0.067 nan 4.420 nan 0.000 0.260 447 P C -0.775 176.296 177.300 -0.382 0.000 1.172 447 P CA 0.267 63.011 63.100 -0.593 0.000 0.760 447 P CB 0.057 31.340 31.700 -0.695 0.000 0.773 448 D N 2.640 122.904 120.400 -0.226 0.000 2.426 448 D HA 0.101 4.732 4.640 -0.014 0.000 0.261 448 D C 0.418 176.682 176.300 -0.060 0.000 1.245 448 D CA 0.600 54.522 54.000 -0.130 0.000 0.917 448 D CB -0.027 40.711 40.800 -0.104 0.000 1.123 448 D HN 0.040 nan 8.370 nan 0.000 0.508 449 V N 0.763 120.672 119.914 -0.010 0.000 3.141 449 V HA 0.696 4.807 4.120 -0.014 0.000 0.312 449 V C -2.718 173.391 176.094 0.026 0.000 1.157 449 V CA -2.632 59.698 62.300 0.050 0.000 1.041 449 V CB 1.654 33.582 31.823 0.176 0.000 1.071 449 V HN 0.095 nan 8.190 nan 0.000 0.441 450 P HA 0.277 nan 4.420 nan 0.000 0.267 450 P C 0.837 178.148 177.300 0.020 0.000 1.209 450 P CA 0.684 63.793 63.100 0.016 0.000 0.763 450 P CB 1.120 32.832 31.700 0.021 0.000 0.816 451 A N 4.545 127.366 122.820 0.001 0.000 1.958 451 A HA -0.196 4.115 4.320 -0.014 0.000 0.221 451 A C 1.668 179.268 177.584 0.026 0.000 1.178 451 A CA 2.223 54.259 52.037 -0.001 0.000 0.642 451 A CB -1.128 17.857 19.000 -0.024 0.000 0.816 451 A HN 0.547 nan 8.150 nan 0.000 0.453 452 A N -0.375 122.467 122.820 0.038 0.000 2.630 452 A HA 0.459 4.771 4.320 -0.014 0.000 0.290 452 A C 1.587 179.200 177.584 0.048 0.000 1.267 452 A CA 0.787 52.856 52.037 0.053 0.000 0.950 452 A CB -0.446 18.589 19.000 0.057 0.000 1.144 452 A HN 0.768 nan 8.150 nan 0.000 0.527 453 S N -0.929 114.796 115.700 0.041 0.000 2.461 453 S HA -0.053 4.409 4.470 -0.014 0.000 0.228 453 S C 0.831 175.448 174.600 0.028 0.000 1.005 453 S CA 0.654 58.874 58.200 0.033 0.000 0.942 453 S CB -0.128 63.092 63.200 0.033 0.000 0.776 453 S HN 0.495 nan 8.310 nan 0.000 0.514 454 Q N 0.233 120.056 119.800 0.037 0.000 2.502 454 Q HA -0.162 4.169 4.340 -0.014 0.000 0.273 454 Q C -0.763 175.226 176.000 -0.018 0.000 1.127 454 Q CA 0.757 56.581 55.803 0.034 0.000 0.952 454 Q CB -2.304 26.466 28.738 0.054 0.000 1.333 454 Q HN 0.807 nan 8.270 nan 0.000 0.494 455 Q N 0.650 120.422 119.800 -0.047 0.000 2.286 455 Q HA 0.347 4.678 4.340 -0.014 0.000 0.257 455 Q C 0.138 175.971 176.000 -0.278 0.000 0.941 455 Q CA -0.244 55.449 55.803 -0.182 0.000 0.912 455 Q CB 0.948 29.593 28.738 -0.156 0.000 1.192 455 Q HN 0.021 nan 8.270 nan 0.000 0.410 456 R N 2.275 122.518 120.500 -0.428 0.000 2.589 456 R HA 0.571 4.902 4.340 -0.014 0.000 0.293 456 R C -1.018 174.930 176.300 -0.587 0.000 0.963 456 R CA -0.521 55.388 56.100 -0.318 0.000 0.905 456 R CB 0.828 31.058 30.300 -0.118 0.000 1.144 456 R HN 0.463 nan 8.270 nan 0.000 0.459 457 F N 0.173 120.215 119.950 0.153 0.000 2.561 457 F HA 0.411 4.930 4.527 -0.013 0.000 0.313 457 F C -0.163 175.859 175.800 0.370 0.000 1.126 457 F CA -0.925 57.219 58.000 0.241 0.000 0.918 457 F CB 2.002 41.157 39.000 0.258 0.000 1.199 457 F HN -0.002 nan 8.300 nan 0.000 0.444 458 V N 2.875 123.062 119.914 0.455 0.000 2.667 458 V HA 0.313 4.425 4.120 -0.014 0.000 0.308 458 V C -0.490 175.719 176.094 0.192 0.000 1.048 458 V CA -1.125 61.366 62.300 0.319 0.000 0.928 458 V CB 2.129 34.060 31.823 0.180 0.000 1.004 458 V HN 0.599 nan 8.190 nan 0.000 0.444 459 F N 3.639 123.440 119.950 -0.248 0.000 2.557 459 F HA 0.187 4.705 4.527 -0.015 0.000 0.384 459 F C 0.302 175.970 175.800 -0.219 0.000 1.057 459 F CA 0.252 57.917 58.000 -0.558 0.000 1.169 459 F CB 0.193 38.776 39.000 -0.695 0.000 1.070 459 F HN 0.586 nan 8.300 nan 0.000 0.554 460 D N 8.735 128.824 120.400 -0.519 0.000 2.453 460 D HA 0.337 4.969 4.640 -0.014 0.000 0.238 460 D C -2.008 173.968 176.300 -0.541 0.000 1.088 460 D CA -2.499 51.312 54.000 -0.317 0.000 0.854 460 D CB 1.830 42.549 40.800 -0.136 0.000 1.076 460 D HN 0.177 nan 8.370 nan 0.000 0.533 461 P HA -0.136 nan 4.420 nan 0.000 0.217 461 P C 0.966 178.149 177.300 -0.194 0.000 1.148 461 P CA 1.198 64.139 63.100 -0.266 0.000 0.828 461 P CB 0.273 31.948 31.700 -0.041 0.000 0.783 462 A N -0.806 121.926 122.820 -0.147 0.000 2.019 462 A HA -0.113 4.199 4.320 -0.014 0.000 0.219 462 A C 2.002 179.532 177.584 -0.090 0.000 1.164 462 A CA 2.210 54.192 52.037 -0.092 0.000 0.644 462 A CB -1.233 17.730 19.000 -0.062 0.000 0.805 462 A HN 0.238 nan 8.150 nan 0.000 0.449 463 V N -4.793 115.046 119.914 -0.126 0.000 3.539 463 V HA 0.160 4.272 4.120 -0.014 0.000 0.262 463 V C 1.095 177.124 176.094 -0.108 0.000 1.381 463 V CA 0.811 63.059 62.300 -0.087 0.000 1.060 463 V CB -0.016 31.781 31.823 -0.044 0.000 0.842 463 V HN 0.229 nan 8.190 nan 0.000 0.445 464 D N 0.980 121.232 120.400 -0.246 0.000 2.301 464 D HA 0.174 4.806 4.640 -0.014 0.000 0.206 464 D C 2.067 178.285 176.300 -0.138 0.000 0.979 464 D CA 0.787 54.628 54.000 -0.264 0.000 0.874 464 D CB 0.364 40.702 40.800 -0.771 0.000 0.968 464 D HN 0.379 nan 8.370 nan 0.000 0.510 465 L N 0.926 122.067 121.223 -0.136 0.000 2.265 465 L HA -0.105 4.227 4.340 -0.014 0.000 0.215 465 L C 2.319 179.213 176.870 0.039 0.000 1.117 465 L CA 0.779 55.644 54.840 0.041 0.000 0.782 465 L CB -0.160 41.927 42.059 0.047 0.000 0.914 465 L HN -0.019 nan 8.230 nan 0.000 0.441 466 A N -0.398 122.426 122.820 0.007 0.000 2.021 466 A HA -0.064 4.248 4.320 -0.014 0.000 0.216 466 A C 2.263 179.864 177.584 0.028 0.000 1.163 466 A CA 0.538 52.582 52.037 0.012 0.000 0.676 466 A CB -0.209 18.788 19.000 -0.004 0.000 0.818 466 A HN 0.276 nan 8.150 nan 0.000 0.453 467 R N -0.532 119.996 120.500 0.047 0.000 2.280 467 R HA 0.155 4.487 4.340 -0.014 0.000 0.207 467 R C -0.202 176.155 176.300 0.095 0.000 1.043 467 R CA 0.031 56.171 56.100 0.066 0.000 1.006 467 R CB -0.331 30.023 30.300 0.090 0.000 0.885 467 R HN 0.421 nan 8.270 nan 0.000 0.467 468 L N 0.659 121.950 121.223 0.114 0.000 2.439 468 L HA 0.191 4.523 4.340 -0.014 0.000 0.261 468 L C -0.029 176.874 176.870 0.054 0.000 1.153 468 L CA -0.541 54.364 54.840 0.108 0.000 0.808 468 L CB 0.482 42.610 42.059 0.115 0.000 1.126 468 L HN -0.073 nan 8.230 nan 0.000 0.460 469 N N -0.153 118.572 118.700 0.041 0.000 2.352 469 N HA 0.463 5.194 4.740 -0.014 0.000 0.291 469 N C -0.029 175.481 175.510 -0.000 0.000 1.040 469 N CA -0.337 52.724 53.050 0.019 0.000 0.864 469 N CB 2.033 40.533 38.487 0.022 0.000 1.440 469 N HN 0.619 nan 8.380 nan 0.000 0.483 470 G N 1.153 109.942 108.800 -0.019 0.000 3.596 470 G HA2 0.059 4.011 3.960 -0.014 0.000 0.274 470 G HA3 0.059 4.011 3.960 -0.014 0.000 0.274 470 G C -0.501 174.360 174.900 -0.064 0.000 1.007 470 G CA -0.209 44.857 45.100 -0.056 0.000 0.825 470 G HN 0.562 nan 8.290 nan 0.000 0.508 471 D N 0.869 121.250 120.400 -0.031 0.000 2.473 471 D HA 0.239 4.870 4.640 -0.014 0.000 0.226 471 D C 0.487 176.783 176.300 -0.007 0.000 1.089 471 D CA -0.599 53.389 54.000 -0.020 0.000 0.883 471 D CB 0.142 40.938 40.800 -0.007 0.000 1.029 471 D HN -0.031 nan 8.370 nan 0.000 0.517 472 N N 2.986 121.679 118.700 -0.011 0.000 2.696 472 N HA -0.119 4.612 4.740 -0.014 0.000 0.256 472 N C -2.521 173.003 175.510 0.024 0.000 1.031 472 N CA 0.294 53.351 53.050 0.012 0.000 0.730 472 N CB -0.346 38.158 38.487 0.028 0.000 0.894 472 N HN 0.324 nan 8.380 nan 0.000 0.544 473 P HA 0.307 nan 4.420 nan 0.000 0.276 473 P C -2.651 174.694 177.300 0.074 0.000 1.252 473 P CA -1.254 61.871 63.100 0.041 0.000 0.802 473 P CB 0.175 31.892 31.700 0.028 0.000 1.035 474 P HA 0.122 nan 4.420 nan 0.000 0.261 474 P C -0.084 177.305 177.300 0.148 0.000 1.183 474 P CA 0.697 63.870 63.100 0.121 0.000 0.761 474 P CB 0.155 31.937 31.700 0.138 0.000 0.785 475 R N 4.597 125.171 120.500 0.124 0.000 2.310 475 R HA 0.533 4.864 4.340 -0.014 0.000 0.324 475 R C 0.089 176.418 176.300 0.049 0.000 0.955 475 R CA -0.608 55.566 56.100 0.123 0.000 0.830 475 R CB 0.608 30.988 30.300 0.133 0.000 1.154 475 R HN 0.567 nan 8.270 nan 0.000 0.458 476 R N 1.182 121.649 120.500 -0.055 0.000 2.756 476 R HA 0.176 4.508 4.340 -0.014 0.000 0.273 476 R C -0.936 174.991 176.300 -0.621 0.000 1.030 476 R CA -0.693 55.290 56.100 -0.195 0.000 0.887 476 R CB 0.344 30.585 30.300 -0.099 0.000 1.274 476 R HN 0.533 nan 8.270 nan 0.000 0.461 477 D N -0.847 119.293 120.400 -0.433 0.000 2.360 477 D HA 0.110 4.741 4.640 -0.014 0.000 0.210 477 D C -0.477 175.711 176.300 -0.187 0.000 1.047 477 D CA 0.222 53.935 54.000 -0.479 0.000 0.854 477 D CB 0.670 41.458 40.800 -0.021 0.000 0.936 477 D HN 0.466 nan 8.370 nan 0.000 0.514 478 T N -0.861 113.688 114.554 -0.007 0.000 2.971 478 T HA 0.595 4.936 4.350 -0.014 0.000 0.304 478 T C -0.975 173.949 174.700 0.373 0.000 1.038 478 T CA -0.733 61.569 62.100 0.337 0.000 1.007 478 T CB 2.192 71.204 68.868 0.240 0.000 1.055 478 T HN -0.028 nan 8.240 nan 0.000 0.451 479 T N 2.065 116.923 114.554 0.508 0.000 2.792 479 T HA 0.553 4.894 4.350 -0.014 0.000 0.303 479 T C -1.347 173.523 174.700 0.285 0.000 1.310 479 T CA -0.808 61.519 62.100 0.378 0.000 1.007 479 T CB 1.072 70.196 68.868 0.428 0.000 1.335 479 T HN 0.384 nan 8.240 nan 0.000 0.504 480 M N 3.021 122.751 119.600 0.218 0.000 2.180 480 M HA 0.413 4.885 4.480 -0.014 0.000 0.358 480 M C -0.487 175.870 176.300 0.094 0.000 1.233 480 M CA -0.864 54.531 55.300 0.159 0.000 1.114 480 M CB 0.493 33.156 32.600 0.104 0.000 1.594 480 M HN 0.512 nan 8.290 nan 0.000 0.467 481 L N 7.873 129.158 121.223 0.103 0.000 2.255 481 L HA 0.504 4.836 4.340 -0.014 0.000 0.289 481 L C -2.233 174.652 176.870 0.024 0.000 1.046 481 L CA -1.480 53.413 54.840 0.089 0.000 0.816 481 L CB 0.722 42.877 42.059 0.160 0.000 1.197 481 L HN 0.369 nan 8.230 nan 0.000 0.427 482 P HA 0.086 nan 4.420 nan 0.000 0.269 482 P C -0.724 176.563 177.300 -0.022 0.000 1.209 482 P CA -0.313 62.755 63.100 -0.053 0.000 0.776 482 P CB 0.696 32.340 31.700 -0.094 0.000 0.876 483 A N 2.651 125.447 122.820 -0.040 0.000 2.548 483 A HA 0.386 4.697 4.320 -0.014 0.000 0.247 483 A C 1.594 179.209 177.584 0.052 0.000 1.067 483 A CA 0.723 52.750 52.037 -0.018 0.000 0.757 483 A CB -1.555 17.437 19.000 -0.013 0.000 0.996 483 A HN 0.892 nan 8.150 nan 0.000 0.504 484 G N 1.512 110.355 108.800 0.072 0.000 2.184 484 G HA2 -0.060 3.891 3.960 -0.014 0.000 0.264 484 G HA3 -0.060 3.891 3.960 -0.014 0.000 0.264 484 G C 0.936 175.944 174.900 0.181 0.000 0.975 484 G CA 1.002 46.164 45.100 0.103 0.000 0.642 484 G HN 1.841 nan 8.290 nan 0.000 0.536 485 G N -0.806 108.109 108.800 0.192 0.000 3.194 485 G HA2 0.719 4.670 3.960 -0.014 0.000 0.160 485 G HA3 0.719 4.670 3.960 -0.014 0.000 0.160 485 G C 0.070 175.159 174.900 0.316 0.000 1.267 485 G CA -0.163 45.087 45.100 0.250 0.000 0.962 485 G HN 1.046 nan 8.290 nan 0.000 0.612 486 W N -2.076 119.335 121.300 0.186 0.000 3.047 486 W HA 0.768 5.419 4.660 -0.015 0.000 0.341 486 W C -2.468 174.129 176.519 0.130 0.000 1.225 486 W CA -1.215 56.233 57.345 0.172 0.000 1.150 486 W CB 1.301 30.895 29.460 0.224 0.000 1.470 486 W HN 0.526 nan 8.180 nan 0.000 0.578 487 L N 2.911 124.399 121.223 0.442 0.000 2.505 487 L HA 0.537 4.869 4.340 -0.014 0.000 0.266 487 L C -1.863 175.187 176.870 0.300 0.000 0.954 487 L CA -0.669 54.328 54.840 0.262 0.000 0.852 487 L CB 1.830 43.978 42.059 0.148 0.000 1.282 487 L HN 0.409 nan 8.230 nan 0.000 0.403 488 L N 5.777 127.157 121.223 0.262 0.000 2.276 488 L HA 0.640 4.972 4.340 -0.014 0.000 0.286 488 L C -1.228 175.646 176.870 0.006 0.000 1.024 488 L CA 0.100 54.975 54.840 0.058 0.000 0.826 488 L CB 0.819 42.842 42.059 -0.060 0.000 1.211 488 L HN 0.593 nan 8.230 nan 0.000 0.422 489 L N 4.232 125.450 121.223 -0.008 0.000 2.313 489 L HA 0.982 5.314 4.340 -0.014 0.000 0.268 489 L C -0.314 176.601 176.870 0.076 0.000 1.010 489 L CA -0.920 53.908 54.840 -0.020 0.000 0.814 489 L CB 1.858 43.789 42.059 -0.214 0.000 1.304 489 L HN 0.689 nan 8.230 nan 0.000 0.441 490 A N 1.684 124.589 122.820 0.141 0.000 2.488 490 A HA 0.749 5.061 4.320 -0.014 0.000 0.295 490 A C -1.404 176.390 177.584 0.350 0.000 1.045 490 A CA -0.363 51.728 52.037 0.090 0.000 0.703 490 A CB 1.301 20.216 19.000 -0.141 0.000 1.271 490 A HN 0.567 nan 8.150 nan 0.000 0.400 491 F N 0.082 120.093 119.950 0.102 0.000 2.581 491 F HA 0.802 5.321 4.527 -0.015 0.000 0.311 491 F C -0.445 175.202 175.800 -0.254 0.000 1.113 491 F CA -0.954 57.033 58.000 -0.022 0.000 0.935 491 F CB 1.540 40.337 39.000 -0.338 0.000 1.232 491 F HN 0.634 nan 8.300 nan 0.000 0.445 492 R N 1.787 121.988 120.500 -0.498 0.000 2.298 492 R HA 0.291 4.623 4.340 -0.014 0.000 0.310 492 R C 0.044 176.109 176.300 -0.392 0.000 1.068 492 R CA 0.061 55.632 56.100 -0.881 0.000 0.957 492 R CB 0.875 30.333 30.300 -1.404 0.000 1.003 492 R HN 0.920 nan 8.270 nan 0.000 0.454 493 T N 1.002 115.346 114.554 -0.350 0.000 4.578 493 T HA 0.020 4.361 4.350 -0.014 0.000 0.236 493 T C 0.174 174.877 174.700 0.004 0.000 1.038 493 T CA -0.480 61.566 62.100 -0.090 0.000 1.067 493 T CB -0.291 68.511 68.868 -0.109 0.000 1.390 493 T HN 0.658 nan 8.240 nan 0.000 1.076 494 D N -0.098 120.346 120.400 0.073 0.000 2.363 494 D HA 0.078 4.710 4.640 -0.014 0.000 0.214 494 D C 0.218 176.555 176.300 0.062 0.000 1.093 494 D CA -0.433 53.581 54.000 0.023 0.000 0.837 494 D CB 0.095 40.860 40.800 -0.058 0.000 0.948 494 D HN 0.413 nan 8.370 nan 0.000 0.507 495 N N 0.826 119.608 118.700 0.138 0.000 2.648 495 N HA 0.284 5.016 4.740 -0.014 0.000 0.261 495 N C -3.001 172.742 175.510 0.389 0.000 1.138 495 N CA -1.853 51.284 53.050 0.145 0.000 0.804 495 N CB 1.518 39.911 38.487 -0.156 0.000 1.237 495 N HN -0.213 nan 8.380 nan 0.000 0.532 496 P HA 0.276 nan 4.420 nan 0.000 0.263 496 P C 0.003 177.416 177.300 0.187 0.000 1.195 496 P CA 0.429 63.666 63.100 0.229 0.000 0.762 496 P CB 0.605 32.377 31.700 0.120 0.000 0.799 497 G N 1.787 110.622 108.800 0.057 0.000 2.321 497 G HA2 0.462 4.413 3.960 -0.014 0.000 0.298 497 G HA3 0.462 4.413 3.960 -0.014 0.000 0.298 497 G C -1.817 172.654 174.900 -0.715 0.000 1.385 497 G CA -0.252 44.585 45.100 -0.438 0.000 0.856 497 G HN 0.405 nan 8.290 nan 0.000 0.584 498 A N -0.351 121.964 122.820 -0.842 0.000 2.279 498 A HA 0.698 5.009 4.320 -0.014 0.000 0.306 498 A C -0.994 176.142 177.584 -0.746 0.000 1.300 498 A CA -0.266 51.418 52.037 -0.588 0.000 0.925 498 A CB -0.167 18.599 19.000 -0.391 0.000 1.152 498 A HN 0.718 nan 8.150 nan 0.000 0.544 499 W N 2.779 124.059 121.300 -0.033 0.000 2.600 499 W HA 0.536 5.188 4.660 -0.015 0.000 0.325 499 W C -0.373 176.063 176.519 -0.138 0.000 1.034 499 W CA -0.698 56.614 57.345 -0.056 0.000 1.226 499 W CB 1.344 30.833 29.460 0.049 0.000 1.379 499 W HN 0.420 nan 8.180 nan 0.000 0.466 500 L N 3.528 124.653 121.223 -0.163 0.000 2.380 500 L HA 0.332 4.664 4.340 -0.014 0.000 0.273 500 L C -0.536 176.348 176.870 0.023 0.000 1.138 500 L CA -0.437 54.235 54.840 -0.281 0.000 0.832 500 L CB 0.382 42.037 42.059 -0.674 0.000 1.124 500 L HN 0.348 nan 8.230 nan 0.000 0.454 501 F N 4.234 124.118 119.950 -0.110 0.000 2.500 501 F HA 0.442 4.961 4.527 -0.014 0.000 0.349 501 F C -0.218 175.586 175.800 0.008 0.000 1.127 501 F CA -0.508 57.459 58.000 -0.055 0.000 0.998 501 F CB 0.471 39.383 39.000 -0.147 0.000 1.237 501 F HN 0.568 nan 8.300 nan 0.000 0.439 502 H N 2.099 120.901 119.070 -0.447 0.000 2.966 502 H HA 0.537 5.084 4.556 -0.015 0.000 0.330 502 H C -1.323 173.834 175.328 -0.285 0.000 1.292 502 H CA -1.383 54.444 56.048 -0.368 0.000 1.127 502 H CB 1.003 30.666 29.762 -0.165 0.000 1.863 502 H HN 0.619 nan 8.280 nan 0.000 0.543 503 C N 1.800 121.002 119.300 -0.164 0.000 2.527 503 C HA 0.140 4.592 4.460 -0.014 0.000 0.396 503 C C 1.324 176.344 174.990 0.049 0.000 1.289 503 C CA -0.159 58.793 59.018 -0.110 0.000 2.047 503 C CB -0.714 26.920 27.740 -0.176 0.000 2.568 503 C HN 1.006 nan 8.230 nan 0.000 0.573 504 H N 3.677 122.738 119.070 -0.016 0.000 2.539 504 H HA 0.273 4.820 4.556 -0.014 0.000 0.267 504 H C 0.564 175.883 175.328 -0.015 0.000 0.982 504 H CA 0.439 56.519 56.048 0.052 0.000 1.146 504 H CB 0.093 29.875 29.762 0.032 0.000 1.382 504 H HN 0.658 nan 8.280 nan 0.000 0.577 505 I N 1.393 121.962 120.570 -0.002 0.000 2.505 505 I HA -0.056 4.105 4.170 -0.014 0.000 0.287 505 I C 1.660 177.577 176.117 -0.333 0.000 1.104 505 I CA -0.099 61.042 61.300 -0.265 0.000 1.387 505 I CB 1.198 38.937 38.000 -0.436 0.000 1.404 505 I HN 0.126 nan 8.210 nan 0.000 0.528 506 A N 7.275 129.776 122.820 -0.532 0.000 1.927 506 A HA -0.197 4.114 4.320 -0.014 0.000 0.220 506 A C 1.841 179.316 177.584 -0.182 0.000 1.185 506 A CA 1.682 53.444 52.037 -0.458 0.000 0.639 506 A CB -0.698 17.797 19.000 -0.842 0.000 0.820 506 A HN 0.931 nan 8.150 nan 0.000 0.451 507 W N -1.420 119.847 121.300 -0.055 0.000 2.402 507 W HA -0.073 4.579 4.660 -0.014 0.000 0.286 507 W C 2.215 178.837 176.519 0.171 0.000 1.221 507 W CA 0.711 58.075 57.345 0.032 0.000 1.257 507 W CB -0.519 28.949 29.460 0.014 0.000 1.120 507 W HN 0.514 nan 8.180 nan 0.000 0.551 508 H N -0.561 118.565 119.070 0.094 0.000 2.403 508 H HA -0.105 4.442 4.556 -0.014 0.000 0.298 508 H C 2.384 177.663 175.328 -0.081 0.000 1.059 508 H CA 1.061 57.011 56.048 -0.162 0.000 1.363 508 H CB -0.194 29.227 29.762 -0.567 0.000 1.410 508 H HN -0.004 nan 8.280 nan 0.000 0.528 509 V N 0.241 120.196 119.914 0.069 0.000 2.667 509 V HA -0.180 3.932 4.120 -0.014 0.000 0.252 509 V C 1.949 178.073 176.094 0.051 0.000 1.065 509 V CA 1.639 63.954 62.300 0.025 0.000 1.083 509 V CB -0.140 31.662 31.823 -0.034 0.000 0.692 509 V HN 0.300 nan 8.190 nan 0.000 0.468 510 S N 0.288 116.058 115.700 0.117 0.000 2.428 510 S HA 0.001 4.463 4.470 -0.014 0.000 0.230 510 S C 1.816 176.523 174.600 0.178 0.000 1.014 510 S CA 1.057 59.341 58.200 0.139 0.000 0.957 510 S CB -0.230 63.093 63.200 0.205 0.000 0.784 510 S HN 0.768 nan 8.310 nan 0.000 0.499 511 G N 0.127 109.099 108.800 0.287 0.000 2.511 511 G HA2 0.334 4.285 3.960 -0.014 0.000 0.217 511 G HA3 0.334 4.285 3.960 -0.014 0.000 0.217 511 G C 0.907 175.966 174.900 0.266 0.000 1.133 511 G CA 0.691 46.010 45.100 0.364 0.000 0.792 511 G HN 0.741 nan 8.290 nan 0.000 0.539 512 G N -0.867 108.053 108.800 0.200 0.000 2.273 512 G HA2 -0.179 3.773 3.960 -0.014 0.000 0.162 512 G HA3 -0.179 3.773 3.960 -0.014 0.000 0.162 512 G C 0.305 175.260 174.900 0.092 0.000 1.006 512 G CA -0.157 45.013 45.100 0.117 0.000 0.704 512 G HN 0.369 nan 8.290 nan 0.000 0.487 513 L N 2.632 123.908 121.223 0.089 0.000 2.451 513 L HA 0.589 4.921 4.340 -0.014 0.000 0.272 513 L C 0.374 177.208 176.870 -0.060 0.000 1.258 513 L CA 0.551 55.374 54.840 -0.028 0.000 1.132 513 L CB 0.262 42.178 42.059 -0.239 0.000 1.361 513 L HN 0.244 nan 8.230 nan 0.000 0.438 514 S N 1.890 117.558 115.700 -0.054 0.000 2.565 514 S HA 0.654 5.116 4.470 -0.014 0.000 0.274 514 S C -0.933 173.610 174.600 -0.095 0.000 1.144 514 S CA -0.471 57.685 58.200 -0.074 0.000 0.849 514 S CB 1.478 64.634 63.200 -0.073 0.000 1.103 514 S HN 0.266 nan 8.310 nan 0.000 0.455 515 V N 0.412 120.246 119.914 -0.134 0.000 3.158 515 V HA 0.886 4.997 4.120 -0.014 0.000 0.311 515 V C -1.514 174.410 176.094 -0.284 0.000 1.181 515 V CA -0.744 61.423 62.300 -0.221 0.000 1.054 515 V CB 2.047 33.674 31.823 -0.327 0.000 1.085 515 V HN 0.829 nan 8.190 nan 0.000 0.446 516 D N 0.702 120.899 120.400 -0.338 0.000 2.542 516 D HA 0.425 5.057 4.640 -0.014 0.000 0.252 516 D C -1.372 174.758 176.300 -0.284 0.000 1.222 516 D CA -0.404 53.428 54.000 -0.280 0.000 0.895 516 D CB 1.139 41.801 40.800 -0.230 0.000 1.207 516 D HN 0.397 nan 8.370 nan 0.000 0.558 517 F N 3.557 123.456 119.950 -0.084 0.000 2.494 517 F HA 0.204 4.723 4.527 -0.013 0.000 0.351 517 F C 0.592 176.373 175.800 -0.031 0.000 1.205 517 F CA -0.690 57.273 58.000 -0.062 0.000 1.125 517 F CB 0.492 39.479 39.000 -0.021 0.000 1.268 517 F HN 0.280 nan 8.300 nan 0.000 0.593 518 L N 4.724 125.992 121.223 0.075 0.000 2.375 518 L HA 0.220 4.551 4.340 -0.014 0.000 0.276 518 L C 0.281 177.196 176.870 0.075 0.000 1.162 518 L CA -0.015 54.796 54.840 -0.047 0.000 0.991 518 L CB -0.185 41.728 42.059 -0.244 0.000 1.315 518 L HN 0.495 nan 8.230 nan 0.000 0.431 519 E N 4.407 124.704 120.200 0.162 0.000 2.223 519 E HA 0.216 4.557 4.350 -0.014 0.000 0.282 519 E C -0.181 176.505 176.600 0.143 0.000 1.046 519 E CA -0.527 56.008 56.400 0.225 0.000 0.857 519 E CB 0.330 30.291 29.700 0.435 0.000 1.055 519 E HN 0.495 nan 8.360 nan 0.000 0.409 520 R N 3.478 124.046 120.500 0.113 0.000 3.022 520 R HA -0.168 4.163 4.340 -0.014 0.000 0.248 520 R C -2.133 174.202 176.300 0.058 0.000 0.874 520 R CA 0.014 56.163 56.100 0.081 0.000 0.626 520 R CB -1.036 29.315 30.300 0.085 0.000 1.255 520 R HN 0.589 nan 8.270 nan 0.000 0.496 521 P HA -0.271 nan 4.420 nan 0.000 0.215 521 P C 1.334 178.662 177.300 0.046 0.000 1.157 521 P CA 2.033 65.160 63.100 0.046 0.000 0.874 521 P CB 0.143 31.892 31.700 0.081 0.000 0.790 522 A N -0.272 122.577 122.820 0.049 0.000 1.933 522 A HA -0.214 4.097 4.320 -0.014 0.000 0.218 522 A C 1.914 179.517 177.584 0.032 0.000 1.175 522 A CA 2.075 54.136 52.037 0.040 0.000 0.628 522 A CB -1.324 17.700 19.000 0.039 0.000 0.814 522 A HN 0.118 nan 8.150 nan 0.000 0.444 523 D N -0.629 119.792 120.400 0.035 0.000 2.234 523 D HA -0.060 4.571 4.640 -0.014 0.000 0.205 523 D C 1.802 178.119 176.300 0.029 0.000 0.962 523 D CA 0.849 54.870 54.000 0.034 0.000 0.855 523 D CB -0.269 40.557 40.800 0.043 0.000 0.951 523 D HN 0.377 nan 8.370 nan 0.000 0.500 524 L N 1.179 122.415 121.223 0.022 0.000 2.027 524 L HA -0.070 4.261 4.340 -0.014 0.000 0.206 524 L C 2.272 179.132 176.870 -0.017 0.000 1.074 524 L CA 1.602 56.441 54.840 -0.001 0.000 0.745 524 L CB -0.362 41.680 42.059 -0.029 0.000 0.898 524 L HN -0.182 nan 8.230 nan 0.000 0.433 525 R N -1.022 119.471 120.500 -0.012 0.000 2.105 525 R HA -0.206 4.125 4.340 -0.014 0.000 0.239 525 R C 2.107 178.400 176.300 -0.012 0.000 1.135 525 R CA 1.726 57.814 56.100 -0.019 0.000 0.967 525 R CB -0.091 30.206 30.300 -0.004 0.000 0.861 525 R HN 0.420 nan 8.270 nan 0.000 0.442 526 Q N -0.387 119.414 119.800 0.002 0.000 2.435 526 Q HA 0.024 4.355 4.340 -0.014 0.000 0.207 526 Q C 1.310 177.317 176.000 0.011 0.000 0.956 526 Q CA 0.964 56.772 55.803 0.008 0.000 0.917 526 Q CB 0.327 29.073 28.738 0.014 0.000 0.997 526 Q HN 0.256 nan 8.270 nan 0.000 0.497 527 R N -0.670 119.837 120.500 0.012 0.000 2.334 527 R HA 0.257 4.588 4.340 -0.014 0.000 0.216 527 R C -0.213 176.099 176.300 0.020 0.000 0.905 527 R CA -0.063 56.050 56.100 0.023 0.000 1.064 527 R CB 0.503 30.825 30.300 0.036 0.000 1.046 527 R HN 0.167 nan 8.270 nan 0.000 0.508 528 I N 2.501 123.069 120.570 -0.002 0.000 2.337 528 I HA 0.003 4.164 4.170 -0.014 0.000 0.291 528 I C 0.679 176.797 176.117 0.002 0.000 1.046 528 I CA -0.255 61.037 61.300 -0.013 0.000 1.324 528 I CB 1.157 39.119 38.000 -0.064 0.000 1.409 528 I HN 0.094 nan 8.210 nan 0.000 0.494 529 S N 4.256 119.969 115.700 0.022 0.000 2.579 529 S HA 0.011 4.472 4.470 -0.014 0.000 0.275 529 S C 0.800 175.412 174.600 0.021 0.000 1.345 529 S CA -0.520 57.697 58.200 0.028 0.000 1.031 529 S CB 1.418 64.647 63.200 0.048 0.000 0.892 529 S HN 0.657 nan 8.310 nan 0.000 0.529 530 Q N 0.811 120.624 119.800 0.021 0.000 2.226 530 Q HA -0.114 4.218 4.340 -0.014 0.000 0.204 530 Q C 1.661 177.677 176.000 0.026 0.000 0.975 530 Q CA 1.973 57.787 55.803 0.020 0.000 0.866 530 Q CB -0.367 28.381 28.738 0.018 0.000 0.915 530 Q HN 0.903 nan 8.270 nan 0.000 0.440 531 E N -0.250 119.968 120.200 0.031 0.000 2.072 531 E HA -0.118 4.223 4.350 -0.014 0.000 0.190 531 E C 1.410 178.032 176.600 0.037 0.000 0.982 531 E CA 1.308 57.728 56.400 0.034 0.000 0.803 531 E CB 0.005 29.730 29.700 0.040 0.000 0.755 531 E HN 0.375 nan 8.360 nan 0.000 0.453 532 D N 0.089 120.512 120.400 0.038 0.000 2.183 532 D HA -0.131 4.501 4.640 -0.014 0.000 0.203 532 D C 1.729 178.044 176.300 0.026 0.000 0.969 532 D CA 0.727 54.732 54.000 0.009 0.000 0.842 532 D CB -0.049 40.750 40.800 -0.001 0.000 0.957 532 D HN 0.245 nan 8.370 nan 0.000 0.484 533 E N 0.506 120.722 120.200 0.026 0.000 2.072 533 E HA -0.157 4.185 4.350 -0.014 0.000 0.190 533 E C 1.067 177.739 176.600 0.119 0.000 0.982 533 E CA 0.960 57.387 56.400 0.046 0.000 0.803 533 E CB 0.261 29.968 29.700 0.011 0.000 0.755 533 E HN 0.051 nan 8.360 nan 0.000 0.453 534 D N 0.765 121.209 120.400 0.075 0.000 2.117 534 D HA -0.171 4.460 4.640 -0.014 0.000 0.198 534 D C 1.611 177.947 176.300 0.061 0.000 0.982 534 D CA 0.950 54.989 54.000 0.065 0.000 0.828 534 D CB -0.435 40.387 40.800 0.038 0.000 0.967 534 D HN 0.292 nan 8.370 nan 0.000 0.464 535 D N -0.274 120.156 120.400 0.049 0.000 2.117 535 D HA -0.174 4.458 4.640 -0.014 0.000 0.197 535 D C 2.049 178.361 176.300 0.019 0.000 0.987 535 D CA 0.516 54.523 54.000 0.012 0.000 0.829 535 D CB -0.097 40.690 40.800 -0.022 0.000 0.961 535 D HN 0.142 nan 8.370 nan 0.000 0.460 536 F N 2.007 121.914 119.950 -0.072 0.000 2.069 536 F HA -0.203 4.315 4.527 -0.015 0.000 0.298 536 F C 2.111 177.897 175.800 -0.023 0.000 1.113 536 F CA 1.553 59.516 58.000 -0.061 0.000 1.214 536 F CB -0.392 38.571 39.000 -0.062 0.000 0.978 536 F HN -0.081 nan 8.300 nan 0.000 0.474 537 N N 0.439 119.193 118.700 0.090 0.000 2.188 537 N HA -0.166 4.565 4.740 -0.014 0.000 0.184 537 N C 2.071 177.552 175.510 -0.047 0.000 1.018 537 N CA 1.104 54.161 53.050 0.012 0.000 0.858 537 N CB -0.550 38.011 38.487 0.123 0.000 0.989 537 N HN 0.397 nan 8.380 nan 0.000 0.426 538 R N 1.071 121.556 120.500 -0.024 0.000 2.073 538 R HA -0.043 4.289 4.340 -0.014 0.000 0.234 538 R C 1.813 178.091 176.300 -0.036 0.000 1.134 538 R CA 1.146 57.234 56.100 -0.019 0.000 0.952 538 R CB -0.154 30.140 30.300 -0.009 0.000 0.850 538 R HN -0.042 nan 8.270 nan 0.000 0.433 539 V N 0.143 120.008 119.914 -0.081 0.000 2.515 539 V HA -0.260 3.851 4.120 -0.014 0.000 0.250 539 V C 2.428 178.486 176.094 -0.059 0.000 1.058 539 V CA 1.427 63.679 62.300 -0.079 0.000 1.064 539 V CB -0.383 31.357 31.823 -0.139 0.000 0.675 539 V HN 0.524 nan 8.190 nan 0.000 0.461 540 c N -0.010 118.487 118.600 -0.172 0.000 2.450 540 c HA -0.078 4.483 4.570 -0.014 0.000 0.279 540 c C 2.461 176.571 174.090 0.034 0.000 1.335 540 c CA 0.593 56.852 56.329 -0.117 0.000 1.749 540 c CB -0.858 41.443 42.510 -0.348 0.000 1.963 540 c HN 0.586 nan 8.230 nan 0.000 0.501 541 D N 0.695 121.101 120.400 0.011 0.000 2.149 541 D HA -0.086 4.546 4.640 -0.014 0.000 0.201 541 D C 2.095 178.437 176.300 0.070 0.000 0.972 541 D CA 1.059 55.082 54.000 0.038 0.000 0.835 541 D CB -0.404 40.409 40.800 0.022 0.000 0.966 541 D HN 0.586 nan 8.370 nan 0.000 0.476 542 E N -0.274 119.978 120.200 0.087 0.000 2.152 542 E HA -0.110 4.232 4.350 -0.014 0.000 0.192 542 E C 1.876 178.599 176.600 0.205 0.000 0.983 542 E CA 0.293 56.763 56.400 0.117 0.000 0.818 542 E CB -0.001 29.755 29.700 0.093 0.000 0.758 542 E HN 0.425 nan 8.360 nan 0.000 0.467 543 W N 1.727 123.065 121.300 0.064 0.000 2.443 543 W HA -0.053 4.598 4.660 -0.015 0.000 0.296 543 W C 1.668 178.314 176.519 0.210 0.000 1.202 543 W CA 0.778 58.205 57.345 0.138 0.000 1.312 543 W CB 0.004 29.490 29.460 0.044 0.000 1.120 543 W HN -0.075 nan 8.180 nan 0.000 0.536 544 R N 0.330 120.862 120.500 0.053 0.000 2.148 544 R HA -0.099 4.232 4.340 -0.014 0.000 0.227 544 R C 2.402 178.687 176.300 -0.025 0.000 1.103 544 R CA 1.342 57.432 56.100 -0.017 0.000 0.983 544 R CB -0.494 29.841 30.300 0.059 0.000 0.874 544 R HN 0.132 nan 8.270 nan 0.000 0.451 545 A N 0.062 122.885 122.820 0.005 0.000 1.930 545 A HA -0.166 4.145 4.320 -0.014 0.000 0.215 545 A C 1.877 179.431 177.584 -0.049 0.000 1.176 545 A CA 0.756 52.790 52.037 -0.005 0.000 0.632 545 A CB -0.468 18.549 19.000 0.030 0.000 0.819 545 A HN 0.417 nan 8.150 nan 0.000 0.445 546 Y N -1.084 119.153 120.300 -0.106 0.000 2.184 546 Y HA -0.197 4.344 4.550 -0.014 0.000 0.290 546 Y C 2.253 178.030 175.900 -0.206 0.000 1.129 546 Y CA 1.425 59.441 58.100 -0.139 0.000 1.144 546 Y CB -0.569 37.825 38.460 -0.109 0.000 0.995 546 Y HN 0.517 nan 8.280 nan 0.000 0.513 547 W N 2.232 123.038 121.300 -0.823 0.000 2.290 547 W HA -0.244 4.407 4.660 -0.015 0.000 0.311 547 W C -1.004 175.203 176.519 -0.521 0.000 1.238 547 W CA 2.171 59.052 57.345 -0.773 0.000 1.255 547 W CB -1.457 27.598 29.460 -0.675 0.000 1.145 547 W HN 0.216 nan 8.180 nan 0.000 0.506 548 P HA -0.119 nan 4.420 nan 0.000 0.226 548 P C 1.531 178.535 177.300 -0.492 0.000 1.153 548 P CA 2.606 65.433 63.100 -0.455 0.000 0.777 548 P CB -0.386 31.172 31.700 -0.237 0.000 0.794 549 T N -5.712 108.490 114.554 -0.586 0.000 3.065 549 T HA 0.016 4.357 4.350 -0.014 0.000 0.252 549 T C 0.841 175.206 174.700 -0.560 0.000 1.099 549 T CA -0.235 61.565 62.100 -0.502 0.000 1.063 549 T CB -0.791 67.830 68.868 -0.411 0.000 0.948 549 T HN -0.003 nan 8.240 nan 0.000 0.506 550 N N 3.184 121.414 118.700 -0.783 0.000 2.468 550 N HA 0.070 4.802 4.740 -0.014 0.000 0.265 550 N C -1.427 173.804 175.510 -0.466 0.000 1.199 550 N CA -1.030 51.688 53.050 -0.554 0.000 0.928 550 N CB 1.358 39.496 38.487 -0.582 0.000 1.059 550 N HN 0.215 nan 8.380 nan 0.000 0.467 551 P HA 0.022 nan 4.420 nan 0.000 0.245 551 P C -0.933 176.136 177.300 -0.384 0.000 1.212 551 P CA 0.644 63.472 63.100 -0.453 0.000 0.774 551 P CB 0.160 31.520 31.700 -0.567 0.000 0.999 552 Y N 1.311 121.583 120.300 -0.047 0.000 2.429 552 Y HA 0.497 5.038 4.550 -0.014 0.000 0.342 552 Y C -1.857 174.076 175.900 0.055 0.000 1.004 552 Y CA -3.533 54.593 58.100 0.042 0.000 1.075 552 Y CB 0.812 39.364 38.460 0.153 0.000 1.214 552 Y HN -0.113 nan 8.280 nan 0.000 0.455 553 P HA 0.286 nan 4.420 nan 0.000 0.287 553 P C -1.315 176.272 177.300 0.477 0.000 1.296 553 P CA -0.917 62.375 63.100 0.321 0.000 0.811 553 P CB 1.588 33.408 31.700 0.201 0.000 1.211 554 K N 1.152 121.822 120.400 0.451 0.000 2.268 554 K HA 0.269 4.580 4.320 -0.014 0.000 0.276 554 K C 1.087 177.747 176.600 0.100 0.000 1.080 554 K CA -0.391 56.036 56.287 0.233 0.000 0.910 554 K CB -0.293 32.151 32.500 -0.094 0.000 1.163 554 K HN 0.386 nan 8.250 nan 0.000 0.465 555 I N 0.008 120.646 120.570 0.114 0.000 3.419 555 I HA 0.098 4.260 4.170 -0.014 0.000 0.286 555 I C 0.086 176.236 176.117 0.056 0.000 1.268 555 I CA -0.189 61.165 61.300 0.091 0.000 1.414 555 I CB -0.091 37.983 38.000 0.123 0.000 1.074 555 I HN 0.434 nan 8.210 nan 0.000 0.457 556 D N 0.493 120.902 120.400 0.015 0.000 2.723 556 D HA 0.203 4.835 4.640 -0.014 0.000 0.247 556 D C 1.329 177.573 176.300 -0.093 0.000 1.134 556 D CA 0.094 54.096 54.000 0.004 0.000 1.099 556 D CB 0.298 41.137 40.800 0.065 0.000 1.287 556 D HN -0.015 nan 8.370 nan 0.000 0.634 557 S N -1.818 113.842 115.700 -0.067 0.000 2.368 557 S HA 0.146 4.607 4.470 -0.014 0.000 0.225 557 S C 1.883 176.341 174.600 -0.236 0.000 1.030 557 S CA 1.559 59.688 58.200 -0.118 0.000 0.999 557 S CB -0.963 62.205 63.200 -0.053 0.000 0.844 557 S HN 1.581 nan 8.310 nan 0.000 0.459 558 G N 0.556 109.240 108.800 -0.194 0.000 2.201 558 G HA2 0.067 4.018 3.960 -0.014 0.000 0.212 558 G HA3 0.067 4.018 3.960 -0.014 0.000 0.212 558 G C 0.179 175.155 174.900 0.127 0.000 0.994 558 G CA 0.036 45.031 45.100 -0.175 0.000 0.644 558 G HN 1.257 nan 8.290 nan 0.000 0.508 559 A N 0.000 122.831 122.820 0.018 0.000 2.254 559 A HA 0.000 4.311 4.320 -0.014 0.000 0.244 559 A CA 0.000 52.053 52.037 0.027 0.000 0.836 559 A CB 0.000 18.961 19.000 -0.065 0.000 0.831 559 A HN 0.000 nan 8.150 nan 0.000 0.486