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 1ohy_1_C DATA FIRST_RESID 11 DATA SEQUENCE FDYDGPLMKT EVPGPRSREL MKQLNIIQNA EAVHFFCNYE ESRGNYLVDV DATA SEQUENCE DGNRMLDLYS QISSIPIGYS HPALVKLVQQ PQNVSTFINR PALGILPPEN DATA SEQUENCE FVEKLRESLL SVAPKGMSQL ITMACGSCSN ENAFKTIFMW YRSKERGQSA DATA SEQUENCE FSKEELETCM INQAPGCPDY SILSFMGAFH GRTMGCLATT HSKAIHKIDI DATA SEQUENCE PSFDWPIAPF PRLKYPLEEF VKENQQEEAR CLEEVEDLIV KYRKKKKTVA DATA SEQUENCE GIIVEPIQSE GGDNHASDDF FRKLRDISRK HGCAFLVDEV QTGGGSTGKF DATA SEQUENCE WAHEHWGLDD PADVMTFSKK MMTGGFFHKE EFRPNAPYRI FNTWLGDPSK DATA SEQUENCE NLLLAEVINI IKREDLLSNA AHAGKVLLTG LLDLQARYPQ FISRVRGRGT DATA SEQUENCE FCSFDTPDES IRNKLISIAR NKGVMLGGCG DKSIRFRPTL VFRDHHAHLF DATA SEQUENCE LNIFSDILAD F 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 11 F HA 0.000 nan 4.527 nan 0.000 0.279 11 F C 0.000 175.780 175.800 -0.034 0.000 0.967 11 F CA 0.000 57.938 58.000 -0.104 0.000 1.383 11 F CB 0.000 38.926 39.000 -0.123 0.000 1.145 12 D N 0.022 120.396 120.400 -0.044 0.000 2.687 12 D HA 0.448 5.087 4.640 -0.001 0.000 0.213 12 D C -1.298 174.986 176.300 -0.026 0.000 1.218 12 D CA -0.214 53.841 54.000 0.092 0.000 0.768 12 D CB 1.053 41.995 40.800 0.237 0.000 1.855 12 D HN 0.667 nan 8.370 nan 0.000 0.508 13 Y N 0.991 121.290 120.300 -0.003 0.000 2.258 13 Y HA 0.331 4.880 4.550 -0.001 0.000 0.345 13 Y C 2.129 177.896 175.900 -0.222 0.000 1.303 13 Y CA 1.059 59.012 58.100 -0.245 0.000 1.537 13 Y CB 0.466 38.599 38.460 -0.545 0.000 1.383 13 Y HN 0.581 nan 8.280 nan 0.000 0.606 14 D N -0.378 120.013 120.400 -0.015 0.000 2.213 14 D HA 0.383 5.022 4.640 -0.001 0.000 0.205 14 D C 0.873 177.193 176.300 0.033 0.000 0.961 14 D CA 1.188 55.196 54.000 0.012 0.000 0.853 14 D CB -0.133 40.670 40.800 0.005 0.000 0.967 14 D HN 0.833 nan 8.370 nan 0.000 0.496 15 G N -1.254 107.467 108.800 -0.131 0.000 2.342 15 G HA2 0.482 4.442 3.960 -0.001 0.000 0.297 15 G HA3 0.482 4.442 3.960 -0.001 0.000 0.297 15 G C -3.248 171.609 174.900 -0.071 0.000 1.313 15 G CA -0.263 44.862 45.100 0.042 0.000 0.830 15 G HN 0.110 nan 8.290 nan 0.000 0.506 16 P HA 0.555 nan 4.420 nan 0.000 0.274 16 P C -0.218 177.093 177.300 0.018 0.000 1.231 16 P CA -0.082 63.112 63.100 0.157 0.000 0.790 16 P CB 1.131 32.962 31.700 0.219 0.000 0.951 17 L N 2.394 123.596 121.223 -0.034 0.000 2.555 17 L HA 0.550 4.889 4.340 -0.001 0.000 0.264 17 L C -0.491 176.344 176.870 -0.058 0.000 0.972 17 L CA -0.874 53.936 54.840 -0.050 0.000 0.876 17 L CB 1.232 43.242 42.059 -0.081 0.000 1.216 17 L HN 0.201 nan 8.230 nan 0.000 0.415 18 M N 1.911 121.487 119.600 -0.040 0.000 2.188 18 M HA 0.483 4.963 4.480 -0.001 0.000 0.357 18 M C 0.874 177.143 176.300 -0.051 0.000 1.204 18 M CA -0.206 55.062 55.300 -0.053 0.000 1.095 18 M CB 1.208 33.782 32.600 -0.044 0.000 1.604 18 M HN 0.739 nan 8.290 nan 0.000 0.464 19 K N 0.660 121.024 120.400 -0.060 0.000 2.287 19 K HA 0.092 4.412 4.320 -0.001 0.000 0.199 19 K C 0.843 177.415 176.600 -0.047 0.000 1.061 19 K CA 0.734 56.991 56.287 -0.050 0.000 0.976 19 K CB 0.572 33.041 32.500 -0.051 0.000 0.898 19 K HN 0.854 nan 8.250 nan 0.000 0.492 20 T N -0.342 114.177 114.554 -0.058 0.000 2.864 20 T HA 0.167 4.516 4.350 -0.001 0.000 0.289 20 T C -0.680 173.982 174.700 -0.064 0.000 1.082 20 T CA -1.085 60.983 62.100 -0.054 0.000 1.009 20 T CB 1.979 70.817 68.868 -0.050 0.000 1.234 20 T HN 0.053 nan 8.240 nan 0.000 0.526 21 E N 0.912 121.081 120.200 -0.051 0.000 2.418 21 E HA 0.294 4.643 4.350 -0.001 0.000 0.261 21 E C -0.886 175.669 176.600 -0.075 0.000 1.070 21 E CA -0.436 55.932 56.400 -0.054 0.000 0.931 21 E CB 0.542 30.222 29.700 -0.033 0.000 0.954 21 E HN 0.481 nan 8.360 nan 0.000 0.439 22 V N 3.580 123.440 119.914 -0.090 0.000 2.487 22 V HA 0.334 4.454 4.120 -0.001 0.000 0.298 22 V C -2.009 174.064 176.094 -0.035 0.000 1.028 22 V CA -1.707 60.517 62.300 -0.128 0.000 0.860 22 V CB 1.484 33.134 31.823 -0.289 0.000 0.991 22 V HN 0.744 nan 8.190 nan 0.000 0.427 23 P HA 0.294 nan 4.420 nan 0.000 0.275 23 P C 0.149 177.459 177.300 0.016 0.000 1.228 23 P CA 0.145 63.279 63.100 0.058 0.000 0.786 23 P CB 1.330 33.129 31.700 0.166 0.000 0.927 24 G N 2.129 110.929 108.800 0.000 0.000 2.557 24 G HA2 0.320 4.280 3.960 -0.001 0.000 0.292 24 G HA3 0.320 4.280 3.960 -0.001 0.000 0.292 24 G C -1.558 173.345 174.900 0.005 0.000 1.237 24 G CA -1.218 43.875 45.100 -0.012 0.000 0.978 24 G HN 0.287 nan 8.290 nan 0.000 0.498 25 P HA -0.121 nan 4.420 nan 0.000 0.216 25 P C 2.113 179.400 177.300 -0.021 0.000 1.153 25 P CA 2.049 65.142 63.100 -0.012 0.000 0.848 25 P CB 0.064 31.754 31.700 -0.017 0.000 0.787 26 R N 0.480 120.965 120.500 -0.025 0.000 2.096 26 R HA -0.043 4.297 4.340 -0.001 0.000 0.235 26 R C 2.453 178.714 176.300 -0.065 0.000 1.127 26 R CA 2.193 58.266 56.100 -0.045 0.000 0.968 26 R CB -2.131 28.149 30.300 -0.033 0.000 0.861 26 R HN 0.236 nan 8.270 nan 0.000 0.440 27 S N 0.011 115.713 115.700 0.003 0.000 2.371 27 S HA -0.072 4.397 4.470 -0.001 0.000 0.224 27 S C 2.172 176.791 174.600 0.032 0.000 1.029 27 S CA 1.127 59.371 58.200 0.073 0.000 0.978 27 S CB -0.166 63.172 63.200 0.230 0.000 0.833 27 S HN 0.651 nan 8.310 nan 0.000 0.466 28 R N 1.006 121.524 120.500 0.031 0.000 2.115 28 R HA 0.011 4.350 4.340 -0.001 0.000 0.230 28 R C 2.281 178.566 176.300 -0.025 0.000 1.111 28 R CA 0.843 56.960 56.100 0.028 0.000 0.976 28 R CB -0.181 30.135 30.300 0.027 0.000 0.870 28 R HN 0.326 nan 8.270 nan 0.000 0.445 29 E N 1.237 121.396 120.200 -0.067 0.000 2.051 29 E HA -0.147 4.203 4.350 -0.001 0.000 0.192 29 E C 2.089 178.589 176.600 -0.167 0.000 0.991 29 E CA 1.103 57.447 56.400 -0.093 0.000 0.799 29 E CB -0.041 29.604 29.700 -0.091 0.000 0.748 29 E HN 0.284 nan 8.360 nan 0.000 0.449 30 L N 0.000 121.026 121.223 -0.329 0.000 2.042 30 L HA -0.225 4.114 4.340 -0.001 0.000 0.210 30 L C 2.785 179.402 176.870 -0.422 0.000 1.076 30 L CA 1.229 55.672 54.840 -0.663 0.000 0.749 30 L CB -0.380 40.715 42.059 -1.607 0.000 0.893 30 L HN 0.183 nan 8.230 nan 0.000 0.432 31 M N -0.842 118.683 119.600 -0.126 0.000 2.149 31 M HA -0.237 4.243 4.480 -0.001 0.000 0.261 31 M C 2.581 178.930 176.300 0.083 0.000 1.064 31 M CA 1.594 57.005 55.300 0.185 0.000 1.102 31 M CB -0.368 32.363 32.600 0.220 0.000 1.369 31 M HN -0.009 nan 8.290 nan 0.000 0.408 32 K N 0.249 120.657 120.400 0.014 0.000 2.032 32 K HA -0.202 4.118 4.320 -0.001 0.000 0.209 32 K C 1.826 178.431 176.600 0.009 0.000 1.048 32 K CA 1.986 58.279 56.287 0.010 0.000 0.927 32 K CB -0.506 31.987 32.500 -0.011 0.000 0.712 32 K HN 0.613 nan 8.250 nan 0.000 0.441 33 Q N -0.535 119.254 119.800 -0.018 0.000 2.016 33 Q HA -0.058 4.282 4.340 -0.001 0.000 0.200 33 Q C 2.259 178.279 176.000 0.033 0.000 0.978 33 Q CA 1.728 57.526 55.803 -0.009 0.000 0.833 33 Q CB -0.352 28.359 28.738 -0.044 0.000 0.895 33 Q HN 0.300 nan 8.270 nan 0.000 0.427 34 L N 1.429 122.697 121.223 0.076 0.000 2.127 34 L HA -0.191 4.149 4.340 -0.001 0.000 0.211 34 L C 1.589 178.514 176.870 0.092 0.000 1.089 34 L CA 1.743 56.662 54.840 0.130 0.000 0.757 34 L CB -0.524 41.697 42.059 0.270 0.000 0.899 34 L HN 0.156 nan 8.230 nan 0.000 0.434 35 N N -1.005 117.742 118.700 0.079 0.000 2.453 35 N HA -0.119 4.621 4.740 -0.001 0.000 0.183 35 N C 1.642 177.178 175.510 0.043 0.000 1.041 35 N CA 0.755 53.841 53.050 0.060 0.000 0.900 35 N CB -0.009 38.511 38.487 0.056 0.000 0.961 35 N HN 0.313 nan 8.380 nan 0.000 0.443 36 I N -0.031 120.561 120.570 0.037 0.000 2.252 36 I HA -0.176 3.993 4.170 -0.001 0.000 0.245 36 I C 1.660 177.795 176.117 0.030 0.000 1.102 36 I CA 1.012 62.328 61.300 0.028 0.000 1.385 36 I CB -0.709 37.304 38.000 0.022 0.000 1.064 36 I HN 0.154 nan 8.210 nan 0.000 0.414 37 I N -0.206 120.386 120.570 0.036 0.000 2.617 37 I HA -0.135 4.034 4.170 -0.001 0.000 0.256 37 I C 1.087 177.224 176.117 0.033 0.000 1.167 37 I CA 0.684 62.004 61.300 0.034 0.000 1.469 37 I CB 0.053 38.078 38.000 0.041 0.000 1.098 37 I HN 0.439 nan 8.210 nan 0.000 0.436 38 Q N -1.045 118.777 119.800 0.036 0.000 2.776 38 Q HA 0.177 4.516 4.340 -0.001 0.000 0.289 38 Q C -0.949 175.073 176.000 0.036 0.000 0.912 38 Q CA -0.896 54.926 55.803 0.033 0.000 0.789 38 Q CB 0.410 29.166 28.738 0.030 0.000 1.498 38 Q HN -0.066 nan 8.270 nan 0.000 0.408 39 N N 0.402 119.120 118.700 0.031 0.000 2.423 39 N HA 0.136 4.876 4.740 -0.001 0.000 0.275 39 N C -0.390 175.143 175.510 0.037 0.000 1.283 39 N CA 0.927 53.997 53.050 0.034 0.000 0.932 39 N CB 1.142 39.647 38.487 0.030 0.000 1.185 39 N HN 0.655 nan 8.380 nan 0.000 0.483 40 A N 3.658 126.508 122.820 0.049 0.000 2.423 40 A HA 0.129 4.449 4.320 -0.001 0.000 0.246 40 A C 1.411 179.032 177.584 0.063 0.000 1.278 40 A CA -0.245 51.828 52.037 0.059 0.000 0.903 40 A CB -0.061 18.995 19.000 0.094 0.000 0.997 40 A HN 0.777 nan 8.150 nan 0.000 0.510 41 E N 0.129 120.362 120.200 0.056 0.000 2.265 41 E HA -0.126 4.223 4.350 -0.001 0.000 0.196 41 E C 1.945 178.589 176.600 0.073 0.000 0.996 41 E CA 0.909 57.346 56.400 0.062 0.000 0.832 41 E CB -0.074 29.657 29.700 0.051 0.000 0.756 41 E HN 0.654 nan 8.360 nan 0.000 0.491 42 A N 1.115 123.972 122.820 0.061 0.000 2.167 42 A HA 0.016 4.336 4.320 -0.001 0.000 0.214 42 A C 1.175 178.818 177.584 0.099 0.000 1.151 42 A CA 0.052 52.136 52.037 0.078 0.000 0.735 42 A CB 0.076 19.095 19.000 0.031 0.000 0.802 42 A HN 0.011 nan 8.150 nan 0.000 0.467 43 V N 1.990 121.936 119.914 0.053 0.000 2.458 43 V HA -0.039 4.080 4.120 -0.001 0.000 0.287 43 V C 1.403 177.597 176.094 0.167 0.000 1.009 43 V CA 0.217 62.520 62.300 0.005 0.000 1.091 43 V CB -0.336 31.491 31.823 0.006 0.000 0.960 43 V HN 0.580 nan 8.190 nan 0.000 0.476 44 H N 5.463 124.470 119.070 -0.104 0.000 2.284 44 H HA 0.177 4.732 4.556 -0.001 0.000 0.304 44 H C 0.325 175.761 175.328 0.180 0.000 1.069 44 H CA 1.673 57.713 56.048 -0.012 0.000 1.327 44 H CB -0.049 29.618 29.762 -0.157 0.000 1.387 44 H HN 0.690 nan 8.280 nan 0.000 0.498 45 F N -3.997 116.041 119.950 0.147 0.000 2.807 45 F HA 0.450 4.976 4.527 -0.001 0.000 0.316 45 F C -1.487 174.352 175.800 0.065 0.000 1.162 45 F CA -1.805 56.279 58.000 0.141 0.000 0.910 45 F CB 0.716 39.780 39.000 0.107 0.000 1.314 45 F HN -0.289 nan 8.300 nan 0.000 0.454 46 F N 1.447 121.521 119.950 0.207 0.000 2.404 46 F HA 0.650 5.177 4.527 -0.001 0.000 0.339 46 F C 0.272 176.127 175.800 0.092 0.000 1.105 46 F CA -0.636 57.413 58.000 0.081 0.000 1.087 46 F CB 1.361 40.398 39.000 0.062 0.000 1.143 46 F HN 0.650 nan 8.300 nan 0.000 0.491 47 C N 2.160 121.491 119.300 0.052 0.000 2.407 47 C HA 0.469 4.929 4.460 -0.001 0.000 0.366 47 C C 0.038 174.918 174.990 -0.183 0.000 1.213 47 C CA -0.861 58.033 59.018 -0.206 0.000 2.011 47 C CB 1.615 28.842 27.740 -0.855 0.000 2.306 47 C HN 0.748 nan 8.230 nan 0.000 0.527 48 N N -0.242 118.285 118.700 -0.288 0.000 2.804 48 N HA 0.260 5.000 4.740 -0.001 0.000 0.251 48 N C -0.274 175.118 175.510 -0.196 0.000 1.250 48 N CA -0.309 52.659 53.050 -0.136 0.000 0.820 48 N CB 0.041 38.493 38.487 -0.058 0.000 1.156 48 N HN 0.625 nan 8.380 nan 0.000 0.512 49 Y N 1.041 121.321 120.300 -0.033 0.000 2.421 49 Y HA -0.053 4.497 4.550 -0.001 0.000 0.292 49 Y C 1.701 177.599 175.900 -0.004 0.000 1.136 49 Y CA 0.814 58.874 58.100 -0.068 0.000 1.255 49 Y CB 0.298 38.730 38.460 -0.046 0.000 0.991 49 Y HN 0.440 nan 8.280 nan 0.000 0.552 50 E N -0.040 120.239 120.200 0.131 0.000 2.085 50 E HA -0.162 4.187 4.350 -0.001 0.000 0.194 50 E C 2.156 178.812 176.600 0.093 0.000 0.994 50 E CA 1.644 58.104 56.400 0.099 0.000 0.801 50 E CB -0.192 29.550 29.700 0.071 0.000 0.743 50 E HN 0.245 nan 8.360 nan 0.000 0.453 51 E N -0.200 120.046 120.200 0.077 0.000 2.447 51 E HA 0.161 4.511 4.350 -0.001 0.000 0.195 51 E C 0.380 177.089 176.600 0.181 0.000 1.028 51 E CA 0.071 56.541 56.400 0.116 0.000 0.876 51 E CB 0.453 30.200 29.700 0.079 0.000 0.885 51 E HN 0.199 nan 8.360 nan 0.000 0.500 52 S N 0.864 116.620 115.700 0.094 0.000 2.584 52 S HA 0.497 4.967 4.470 -0.001 0.000 0.270 52 S C 0.286 175.053 174.600 0.279 0.000 1.346 52 S CA -0.243 58.019 58.200 0.102 0.000 1.018 52 S CB 0.863 63.915 63.200 -0.248 0.000 0.899 52 S HN 0.278 nan 8.310 nan 0.000 0.542 53 R N -0.436 120.319 120.500 0.426 0.000 2.808 53 R HA 0.444 4.784 4.340 -0.001 0.000 0.254 53 R C 0.485 177.036 176.300 0.419 0.000 1.145 53 R CA 0.479 56.796 56.100 0.361 0.000 1.066 53 R CB 0.278 30.679 30.300 0.168 0.000 1.268 53 R HN 0.945 nan 8.270 nan 0.000 0.447 54 G N 3.362 112.335 108.800 0.289 0.000 2.665 54 G HA2 -0.467 3.492 3.960 -0.001 0.000 0.326 54 G HA3 -0.467 3.492 3.960 -0.001 0.000 0.326 54 G C 0.408 175.430 174.900 0.205 0.000 1.231 54 G CA 0.929 46.154 45.100 0.207 0.000 0.992 54 G HN 0.696 nan 8.290 nan 0.000 0.549 55 N N 0.109 118.897 118.700 0.147 0.000 2.398 55 N HA 0.279 5.019 4.740 -0.001 0.000 0.188 55 N C -0.257 175.170 175.510 -0.138 0.000 1.122 55 N CA 0.338 53.329 53.050 -0.099 0.000 0.866 55 N CB 0.155 38.371 38.487 -0.451 0.000 0.970 55 N HN 0.436 nan 8.380 nan 0.000 0.462 56 Y N 0.508 120.997 120.300 0.315 0.000 2.331 56 Y HA 0.401 4.950 4.550 -0.001 0.000 0.338 56 Y C -0.350 175.683 175.900 0.222 0.000 0.976 56 Y CA -1.206 57.053 58.100 0.265 0.000 1.137 56 Y CB 0.998 39.614 38.460 0.260 0.000 1.172 56 Y HN -0.100 nan 8.280 nan 0.000 0.478 57 L N 4.730 126.068 121.223 0.191 0.000 2.289 57 L HA 0.692 5.032 4.340 -0.001 0.000 0.285 57 L C -1.049 175.786 176.870 -0.058 0.000 1.049 57 L CA -0.564 54.222 54.840 -0.090 0.000 0.804 57 L CB 1.023 43.077 42.059 -0.008 0.000 1.195 57 L HN 0.411 nan 8.230 nan 0.000 0.428 58 V N 4.681 124.502 119.914 -0.155 0.000 2.417 58 V HA 0.409 4.528 4.120 -0.001 0.000 0.291 58 V C -0.412 175.609 176.094 -0.122 0.000 1.024 58 V CA -0.785 61.441 62.300 -0.123 0.000 0.861 58 V CB 1.546 33.303 31.823 -0.110 0.000 0.985 58 V HN 0.898 nan 8.190 nan 0.000 0.436 59 D N 3.725 124.077 120.400 -0.080 0.000 2.432 59 D HA 0.195 4.834 4.640 -0.001 0.000 0.258 59 D C 1.120 177.411 176.300 -0.014 0.000 1.146 59 D CA -0.285 53.710 54.000 -0.008 0.000 1.015 59 D CB 1.618 42.384 40.800 -0.057 0.000 1.107 59 D HN 0.329 nan 8.370 nan 0.000 0.529 60 V N -2.550 117.392 119.914 0.047 0.000 3.078 60 V HA -0.037 4.083 4.120 -0.001 0.000 0.265 60 V C 0.759 176.854 176.094 0.001 0.000 1.122 60 V CA 1.345 63.666 62.300 0.034 0.000 1.141 60 V CB -0.614 31.254 31.823 0.074 0.000 0.735 60 V HN 0.480 nan 8.190 nan 0.000 0.498 61 D N 0.674 121.065 120.400 -0.015 0.000 2.340 61 D HA 0.278 4.918 4.640 -0.001 0.000 0.217 61 D C 1.749 178.019 176.300 -0.049 0.000 1.081 61 D CA 0.942 54.922 54.000 -0.033 0.000 0.842 61 D CB 0.885 41.661 40.800 -0.040 0.000 0.934 61 D HN 0.710 nan 8.370 nan 0.000 0.511 62 G N 1.471 110.238 108.800 -0.056 0.000 2.175 62 G HA2 -0.237 3.723 3.960 -0.001 0.000 0.244 62 G HA3 -0.237 3.723 3.960 -0.001 0.000 0.244 62 G C 0.290 175.133 174.900 -0.095 0.000 0.982 62 G CA -0.490 44.570 45.100 -0.067 0.000 0.641 62 G HN 0.186 nan 8.290 nan 0.000 0.527 63 N N 0.462 119.096 118.700 -0.110 0.000 2.492 63 N HA 0.327 5.066 4.740 -0.001 0.000 0.262 63 N C 0.305 175.733 175.510 -0.137 0.000 1.202 63 N CA 0.208 53.179 53.050 -0.131 0.000 0.926 63 N CB 0.988 39.370 38.487 -0.175 0.000 1.078 63 N HN 0.597 nan 8.380 nan 0.000 0.454 64 R N 2.751 123.177 120.500 -0.124 0.000 2.337 64 R HA 0.377 4.716 4.340 -0.001 0.000 0.319 64 R C -0.851 175.460 176.300 0.019 0.000 0.954 64 R CA -0.412 55.619 56.100 -0.115 0.000 0.840 64 R CB 0.549 30.685 30.300 -0.272 0.000 1.164 64 R HN 0.487 nan 8.270 nan 0.000 0.472 65 M N 4.194 123.839 119.600 0.074 0.000 2.508 65 M HA 0.302 4.782 4.480 -0.001 0.000 0.327 65 M C -0.784 175.618 176.300 0.170 0.000 1.160 65 M CA -1.267 54.102 55.300 0.116 0.000 0.980 65 M CB 1.969 34.588 32.600 0.031 0.000 1.693 65 M HN 0.445 nan 8.290 nan 0.000 0.452 66 L N 2.698 123.984 121.223 0.106 0.000 2.325 66 L HA 0.232 4.571 4.340 -0.001 0.000 0.284 66 L C -0.648 176.182 176.870 -0.068 0.000 1.089 66 L CA 0.291 55.032 54.840 -0.165 0.000 0.836 66 L CB 0.006 42.065 42.059 -0.000 0.000 1.184 66 L HN 0.489 nan 8.230 nan 0.000 0.444 67 D N 5.305 125.648 120.400 -0.094 0.000 2.396 67 D HA 0.199 4.838 4.640 -0.001 0.000 0.225 67 D C 0.143 176.426 176.300 -0.029 0.000 1.121 67 D CA -0.083 53.938 54.000 0.036 0.000 0.853 67 D CB 0.625 41.541 40.800 0.193 0.000 1.043 67 D HN 0.644 nan 8.370 nan 0.000 0.500 68 L N 3.764 124.954 121.223 -0.056 0.000 2.872 68 L HA 0.169 4.509 4.340 -0.001 0.000 0.245 68 L C 0.349 177.161 176.870 -0.097 0.000 1.211 68 L CA -0.312 54.438 54.840 -0.150 0.000 1.013 68 L CB -0.011 41.914 42.059 -0.223 0.000 1.326 68 L HN 0.391 nan 8.230 nan 0.000 0.525 69 Y N 0.965 121.152 120.300 -0.188 0.000 2.526 69 Y HA 0.014 4.563 4.550 -0.001 0.000 0.265 69 Y C 1.648 177.461 175.900 -0.146 0.000 1.092 69 Y CA -0.171 57.816 58.100 -0.187 0.000 1.277 69 Y CB 0.504 38.888 38.460 -0.128 0.000 1.228 69 Y HN 0.341 nan 8.280 nan 0.000 0.507 70 S N 1.700 117.355 115.700 -0.074 0.000 3.559 70 S HA -0.284 4.185 4.470 -0.001 0.000 0.369 70 S C -0.153 174.311 174.600 -0.226 0.000 0.987 70 S CA 0.784 58.893 58.200 -0.152 0.000 1.187 70 S CB -2.317 60.757 63.200 -0.211 0.000 0.914 70 S HN 0.592 nan 8.310 nan 0.000 0.480 71 Q N -0.604 119.068 119.800 -0.213 0.000 2.452 71 Q HA -0.233 4.106 4.340 -0.001 0.000 0.318 71 Q C 0.883 176.603 176.000 -0.466 0.000 1.386 71 Q CA 1.218 56.857 55.803 -0.273 0.000 0.872 71 Q CB -2.645 26.021 28.738 -0.119 0.000 1.151 71 Q HN 1.749 nan 8.270 nan 0.000 0.417 72 I N -2.690 117.326 120.570 -0.923 0.000 6.679 72 I HA -0.328 3.841 4.170 -0.001 0.000 0.126 72 I C 0.518 176.345 176.117 -0.483 0.000 1.811 72 I CA 1.038 61.776 61.300 -0.937 0.000 2.117 72 I CB -2.199 35.453 38.000 -0.580 0.000 3.492 72 I HN 0.560 nan 8.210 nan 0.000 0.193 73 S N 0.107 115.558 115.700 -0.415 0.000 3.787 73 S HA -0.159 4.311 4.470 -0.001 0.000 0.321 73 S C 1.021 175.514 174.600 -0.178 0.000 1.119 73 S CA 1.099 59.150 58.200 -0.248 0.000 0.918 73 S CB -1.075 62.013 63.200 -0.186 0.000 0.913 73 S HN 1.307 nan 8.310 nan 0.000 0.506 74 S N -0.603 114.983 115.700 -0.191 0.000 2.666 74 S HA 0.448 4.918 4.470 -0.001 0.000 0.239 74 S C 0.110 174.628 174.600 -0.137 0.000 1.031 74 S CA -0.436 57.682 58.200 -0.136 0.000 1.015 74 S CB 0.328 63.452 63.200 -0.127 0.000 0.981 74 S HN 0.407 nan 8.310 nan 0.000 0.547 75 I N 4.410 124.872 120.570 -0.179 0.000 2.306 75 I HA 0.389 4.558 4.170 -0.001 0.000 0.288 75 I C -1.581 174.419 176.117 -0.195 0.000 1.036 75 I CA -2.673 58.501 61.300 -0.209 0.000 1.221 75 I CB 1.028 38.814 38.000 -0.357 0.000 1.385 75 I HN 0.036 nan 8.210 nan 0.000 0.472 76 P HA -0.022 nan 4.420 nan 0.000 0.214 76 P C 0.955 178.180 177.300 -0.125 0.000 1.162 76 P CA 1.393 64.406 63.100 -0.145 0.000 0.871 76 P CB 0.613 32.236 31.700 -0.128 0.000 0.783 77 I N -4.928 115.580 120.570 -0.103 0.000 3.424 77 I HA 0.625 4.794 4.170 -0.001 0.000 0.339 77 I C 0.175 176.315 176.117 0.038 0.000 1.549 77 I CA -0.584 60.700 61.300 -0.026 0.000 1.049 77 I CB 0.138 38.108 38.000 -0.049 0.000 1.439 77 I HN 0.050 nan 8.210 nan 0.000 0.500 78 G N 1.456 110.189 108.800 -0.111 0.000 2.795 78 G HA2 -0.255 3.704 3.960 -0.001 0.000 0.664 78 G HA3 -0.255 3.704 3.960 -0.001 0.000 0.664 78 G C -0.835 173.979 174.900 -0.143 0.000 1.381 78 G CA -0.680 44.314 45.100 -0.176 0.000 0.853 78 G HN 0.439 nan 8.290 nan 0.000 0.545 79 Y N 0.437 120.811 120.300 0.124 0.000 2.336 79 Y HA 0.386 4.935 4.550 -0.001 0.000 0.331 79 Y C 1.850 177.830 175.900 0.134 0.000 1.211 79 Y CA 0.923 59.109 58.100 0.144 0.000 1.346 79 Y CB 1.223 39.798 38.460 0.192 0.000 1.271 79 Y HN 1.108 nan 8.280 nan 0.000 0.538 80 S N 0.759 116.638 115.700 0.298 0.000 3.549 80 S HA -0.263 4.207 4.470 -0.001 0.000 0.366 80 S C -0.196 174.494 174.600 0.150 0.000 1.012 80 S CA 0.419 58.734 58.200 0.192 0.000 1.141 80 S CB -1.836 61.465 63.200 0.168 0.000 0.910 80 S HN 0.691 nan 8.310 nan 0.000 0.471 81 H N 1.650 120.764 119.070 0.073 0.000 3.004 81 H HA 0.101 4.657 4.556 -0.001 0.000 0.316 81 H C -1.584 173.766 175.328 0.036 0.000 1.014 81 H CA -1.216 54.859 56.048 0.045 0.000 1.454 81 H CB 0.800 30.576 29.762 0.024 0.000 1.472 81 H HN 0.058 nan 8.280 nan 0.000 0.571 82 P HA -0.141 nan 4.420 nan 0.000 0.217 82 P C 1.059 178.477 177.300 0.195 0.000 1.148 82 P CA 1.919 65.063 63.100 0.073 0.000 0.828 82 P CB 0.161 31.831 31.700 -0.050 0.000 0.783 83 A N -0.786 122.297 122.820 0.438 0.000 1.930 83 A HA -0.117 4.202 4.320 -0.001 0.000 0.217 83 A C 2.134 179.795 177.584 0.129 0.000 1.175 83 A CA 1.206 53.379 52.037 0.227 0.000 0.627 83 A CB -1.442 17.642 19.000 0.140 0.000 0.815 83 A HN 0.124 nan 8.150 nan 0.000 0.443 84 L N -0.596 120.714 121.223 0.146 0.000 2.109 84 L HA -0.103 4.237 4.340 -0.001 0.000 0.207 84 L C 2.458 179.382 176.870 0.090 0.000 1.086 84 L CA 0.702 55.596 54.840 0.090 0.000 0.760 84 L CB -0.670 41.436 42.059 0.078 0.000 0.910 84 L HN 0.215 nan 8.230 nan 0.000 0.437 85 V N 0.861 120.833 119.914 0.096 0.000 2.287 85 V HA -0.343 3.776 4.120 -0.001 0.000 0.248 85 V C 3.185 179.309 176.094 0.051 0.000 1.053 85 V CA 2.609 64.944 62.300 0.058 0.000 1.027 85 V CB -1.108 30.747 31.823 0.053 0.000 0.646 85 V HN 0.556 nan 8.190 nan 0.000 0.447 86 K N -0.075 120.363 120.400 0.063 0.000 2.063 86 K HA -0.155 4.164 4.320 -0.001 0.000 0.208 86 K C 2.045 178.682 176.600 0.062 0.000 1.048 86 K CA 2.023 58.342 56.287 0.054 0.000 0.928 86 K CB -1.037 31.496 32.500 0.054 0.000 0.713 86 K HN 0.506 nan 8.250 nan 0.000 0.442 87 L N 0.439 121.710 121.223 0.079 0.000 1.990 87 L HA -0.212 4.128 4.340 -0.001 0.000 0.213 87 L C 2.593 179.557 176.870 0.157 0.000 1.072 87 L CA 1.550 56.457 54.840 0.112 0.000 0.755 87 L CB -0.699 41.439 42.059 0.132 0.000 0.889 87 L HN 0.241 nan 8.230 nan 0.000 0.432 88 V N -0.718 119.266 119.914 0.116 0.000 2.759 88 V HA -0.254 3.865 4.120 -0.001 0.000 0.256 88 V C 2.293 178.390 176.094 0.006 0.000 1.080 88 V CA 1.422 63.732 62.300 0.017 0.000 1.101 88 V CB -0.485 31.232 31.823 -0.177 0.000 0.698 88 V HN 0.505 nan 8.190 nan 0.000 0.477 89 Q N -0.808 119.007 119.800 0.026 0.000 2.378 89 Q HA -0.028 4.312 4.340 -0.001 0.000 0.205 89 Q C 0.588 176.610 176.000 0.037 0.000 0.954 89 Q CA 0.264 56.078 55.803 0.018 0.000 0.901 89 Q CB 0.083 28.831 28.738 0.017 0.000 0.981 89 Q HN 0.559 nan 8.270 nan 0.000 0.483 90 Q N 0.886 120.723 119.800 0.061 0.000 2.271 90 Q HA 0.010 4.349 4.340 -0.001 0.000 0.273 90 Q C -1.826 174.214 176.000 0.067 0.000 1.051 90 Q CA -1.102 54.737 55.803 0.061 0.000 0.901 90 Q CB 0.486 29.264 28.738 0.067 0.000 1.174 90 Q HN 0.083 nan 8.270 nan 0.000 0.385 91 P HA -0.190 nan 4.420 nan 0.000 0.218 91 P C 0.623 177.954 177.300 0.052 0.000 1.148 91 P CA 1.330 64.458 63.100 0.046 0.000 0.822 91 P CB 0.420 32.138 31.700 0.031 0.000 0.784 92 Q N -1.122 118.706 119.800 0.046 0.000 2.291 92 Q HA -0.069 4.271 4.340 -0.001 0.000 0.205 92 Q C 1.416 177.441 176.000 0.042 0.000 0.970 92 Q CA 1.011 56.836 55.803 0.036 0.000 0.876 92 Q CB -0.825 27.928 28.738 0.025 0.000 0.935 92 Q HN 0.314 nan 8.270 nan 0.000 0.455 93 N N -0.594 118.152 118.700 0.075 0.000 2.353 93 N HA 0.022 4.762 4.740 -0.001 0.000 0.185 93 N C 1.299 176.912 175.510 0.170 0.000 1.098 93 N CA 0.213 53.316 53.050 0.088 0.000 0.872 93 N CB 0.283 38.868 38.487 0.164 0.000 0.970 93 N HN 0.066 nan 8.380 nan 0.000 0.467 94 V N 0.853 120.875 119.914 0.180 0.000 2.282 94 V HA -0.277 3.843 4.120 -0.001 0.000 0.249 94 V C 2.549 178.735 176.094 0.154 0.000 1.057 94 V CA 2.125 64.547 62.300 0.204 0.000 1.032 94 V CB -0.791 31.096 31.823 0.107 0.000 0.645 94 V HN 0.371 nan 8.190 nan 0.000 0.447 95 S N -0.417 115.324 115.700 0.069 0.000 2.365 95 S HA -0.280 4.189 4.470 -0.001 0.000 0.225 95 S C 2.072 176.665 174.600 -0.012 0.000 1.039 95 S CA 2.553 60.769 58.200 0.028 0.000 1.033 95 S CB -0.580 62.625 63.200 0.009 0.000 0.887 95 S HN 0.718 nan 8.310 nan 0.000 0.447 96 T N 1.059 115.563 114.554 -0.084 0.000 2.699 96 T HA -0.104 4.245 4.350 -0.001 0.000 0.268 96 T C 1.303 175.845 174.700 -0.263 0.000 1.036 96 T CA 1.835 63.801 62.100 -0.223 0.000 1.147 96 T CB -0.608 68.023 68.868 -0.396 0.000 0.862 96 T HN 0.540 nan 8.240 nan 0.000 0.446 97 F N 0.737 120.669 119.950 -0.029 0.000 2.558 97 F HA 0.237 4.763 4.527 -0.001 0.000 0.298 97 F C 1.862 177.632 175.800 -0.050 0.000 1.119 97 F CA 0.299 58.274 58.000 -0.042 0.000 1.451 97 F CB -0.174 38.807 39.000 -0.031 0.000 1.091 97 F HN 0.235 nan 8.300 nan 0.000 0.563 98 I N -4.452 116.183 120.570 0.107 0.000 4.338 98 I HA 0.344 4.514 4.170 -0.001 0.000 0.329 98 I C -0.440 175.686 176.117 0.017 0.000 1.378 98 I CA -0.077 61.256 61.300 0.055 0.000 1.170 98 I CB 0.225 38.262 38.000 0.061 0.000 1.206 98 I HN -0.213 nan 8.210 nan 0.000 0.432 99 N N 3.136 121.834 118.700 -0.004 0.000 2.841 99 N HA 0.295 5.035 4.740 -0.001 0.000 0.257 99 N C -0.987 174.505 175.510 -0.030 0.000 1.396 99 N CA -0.254 52.792 53.050 -0.006 0.000 0.823 99 N CB 1.338 39.825 38.487 -0.001 0.000 1.162 99 N HN 0.292 nan 8.380 nan 0.000 0.503 100 R N 1.821 122.294 120.500 -0.045 0.000 2.248 100 R HA 0.339 4.679 4.340 -0.001 0.000 0.328 100 R C -2.208 174.105 176.300 0.022 0.000 1.067 100 R CA -0.851 55.193 56.100 -0.092 0.000 0.924 100 R CB 0.430 30.561 30.300 -0.281 0.000 1.013 100 R HN 0.141 nan 8.270 nan 0.000 0.454 101 P HA 0.191 nan 4.420 nan 0.000 0.279 101 P C -1.299 176.096 177.300 0.157 0.000 1.252 101 P CA -0.617 62.515 63.100 0.053 0.000 0.811 101 P CB 1.486 33.161 31.700 -0.042 0.000 1.035 102 A N 2.437 125.326 122.820 0.115 0.000 2.990 102 A HA 0.145 4.465 4.320 -0.001 0.000 0.282 102 A C 1.439 178.989 177.584 -0.057 0.000 1.688 102 A CA -0.304 51.768 52.037 0.059 0.000 1.391 102 A CB -1.504 17.520 19.000 0.040 0.000 1.112 102 A HN 0.625 nan 8.150 nan 0.000 0.588 103 L N 1.443 122.593 121.223 -0.121 0.000 2.151 103 L HA -0.269 4.071 4.340 -0.001 0.000 0.215 103 L C 2.672 179.363 176.870 -0.297 0.000 1.084 103 L CA 1.559 56.218 54.840 -0.302 0.000 0.764 103 L CB -0.290 41.557 42.059 -0.354 0.000 0.891 103 L HN 0.710 nan 8.230 nan 0.000 0.435 104 G N 0.241 108.879 108.800 -0.268 0.000 2.448 104 G HA2 -0.190 3.769 3.960 -0.001 0.000 0.219 104 G HA3 -0.190 3.769 3.960 -0.001 0.000 0.219 104 G C 1.431 176.368 174.900 0.063 0.000 1.127 104 G CA 1.124 46.116 45.100 -0.180 0.000 0.766 104 G HN 0.647 nan 8.290 nan 0.000 0.552 105 I N -4.360 116.246 120.570 0.059 0.000 4.607 105 I HA 0.448 4.618 4.170 -0.001 0.000 0.324 105 I C 0.516 176.645 176.117 0.020 0.000 1.279 105 I CA 0.075 61.429 61.300 0.090 0.000 1.286 105 I CB 0.558 38.666 38.000 0.179 0.000 1.265 105 I HN -0.125 nan 8.210 nan 0.000 0.446 106 L N 4.292 125.500 121.223 -0.026 0.000 2.783 106 L HA 0.517 4.857 4.340 -0.001 0.000 0.265 106 L C -2.489 174.321 176.870 -0.100 0.000 1.398 106 L CA -1.500 53.317 54.840 -0.038 0.000 0.802 106 L CB 0.567 42.623 42.059 -0.004 0.000 1.126 106 L HN -0.024 nan 8.230 nan 0.000 0.529 107 P HA 0.139 nan 4.420 nan 0.000 0.268 107 P C -2.382 174.841 177.300 -0.129 0.000 1.208 107 P CA -0.698 62.222 63.100 -0.300 0.000 0.777 107 P CB -0.269 31.211 31.700 -0.367 0.000 0.875 108 P HA 0.114 nan 4.420 nan 0.000 0.274 108 P C 0.840 178.179 177.300 0.063 0.000 1.237 108 P CA -0.225 62.877 63.100 0.003 0.000 0.793 108 P CB 1.101 32.815 31.700 0.023 0.000 0.977 109 E N 2.008 122.235 120.200 0.045 0.000 2.130 109 E HA -0.253 4.096 4.350 -0.001 0.000 0.196 109 E C 1.373 178.012 176.600 0.066 0.000 0.998 109 E CA 1.863 58.292 56.400 0.049 0.000 0.806 109 E CB -0.343 29.373 29.700 0.028 0.000 0.738 109 E HN 0.640 nan 8.360 nan 0.000 0.459 110 N N -0.916 117.823 118.700 0.066 0.000 2.449 110 N HA -0.093 4.646 4.740 -0.001 0.000 0.191 110 N C 1.508 177.060 175.510 0.069 0.000 1.161 110 N CA -0.108 52.970 53.050 0.046 0.000 0.863 110 N CB -0.160 38.336 38.487 0.015 0.000 0.980 110 N HN 0.089 nan 8.380 nan 0.000 0.458 111 F N 1.417 121.345 119.950 -0.037 0.000 2.134 111 F HA -0.104 4.423 4.527 -0.001 0.000 0.299 111 F C 1.782 177.557 175.800 -0.041 0.000 1.097 111 F CA 1.097 59.072 58.000 -0.042 0.000 1.264 111 F CB -0.091 38.887 39.000 -0.037 0.000 1.001 111 F HN -0.067 nan 8.300 nan 0.000 0.479 112 V N -0.048 119.817 119.914 -0.081 0.000 2.535 112 V HA -0.100 4.019 4.120 -0.001 0.000 0.246 112 V C 2.658 178.659 176.094 -0.155 0.000 1.045 112 V CA 1.803 64.000 62.300 -0.172 0.000 1.058 112 V CB -1.637 30.159 31.823 -0.045 0.000 0.689 112 V HN 0.405 nan 8.190 nan 0.000 0.461 113 E N 1.169 121.315 120.200 -0.091 0.000 2.058 113 E HA -0.356 3.994 4.350 -0.001 0.000 0.194 113 E C 2.110 178.645 176.600 -0.109 0.000 0.997 113 E CA 2.077 58.429 56.400 -0.079 0.000 0.801 113 E CB -0.599 29.073 29.700 -0.046 0.000 0.746 113 E HN 0.558 nan 8.360 nan 0.000 0.450 114 K N 0.001 120.324 120.400 -0.128 0.000 2.148 114 K HA 0.098 4.417 4.320 -0.001 0.000 0.204 114 K C 2.093 178.583 176.600 -0.184 0.000 1.050 114 K CA 0.978 57.184 56.287 -0.136 0.000 0.942 114 K CB -0.437 31.992 32.500 -0.118 0.000 0.724 114 K HN 0.430 nan 8.250 nan 0.000 0.446 115 L N 0.023 121.078 121.223 -0.280 0.000 2.046 115 L HA -0.154 4.186 4.340 -0.001 0.000 0.208 115 L C 2.423 179.187 176.870 -0.176 0.000 1.077 115 L CA 1.347 56.015 54.840 -0.287 0.000 0.747 115 L CB -0.298 41.506 42.059 -0.425 0.000 0.896 115 L HN 0.203 nan 8.230 nan 0.000 0.432 116 R N -0.002 120.409 120.500 -0.149 0.000 2.096 116 R HA -0.165 4.175 4.340 -0.001 0.000 0.235 116 R C 2.031 178.274 176.300 -0.094 0.000 1.127 116 R CA 1.274 57.312 56.100 -0.102 0.000 0.968 116 R CB -0.184 30.066 30.300 -0.084 0.000 0.861 116 R HN 0.483 nan 8.270 nan 0.000 0.440 117 E N 0.073 120.214 120.200 -0.099 0.000 2.274 117 E HA -0.099 4.251 4.350 -0.001 0.000 0.194 117 E C 1.427 177.967 176.600 -0.100 0.000 0.996 117 E CA 1.235 57.582 56.400 -0.090 0.000 0.840 117 E CB 0.232 29.884 29.700 -0.080 0.000 0.772 117 E HN 0.328 nan 8.360 nan 0.000 0.491 118 S N 0.006 115.640 115.700 -0.109 0.000 3.769 118 S HA 0.116 4.586 4.470 -0.001 0.000 0.183 118 S C 1.685 176.222 174.600 -0.105 0.000 0.903 118 S CA -0.540 57.594 58.200 -0.110 0.000 1.413 118 S CB -0.543 62.597 63.200 -0.101 0.000 0.753 118 S HN 0.044 nan 8.310 nan 0.000 0.773 119 L N 1.261 122.435 121.223 -0.082 0.000 2.064 119 L HA -0.161 4.179 4.340 -0.001 0.000 0.216 119 L C 2.663 179.624 176.870 0.153 0.000 1.077 119 L CA 1.533 56.384 54.840 0.017 0.000 0.766 119 L CB -0.942 41.069 42.059 -0.080 0.000 0.890 119 L HN 0.446 nan 8.230 nan 0.000 0.435 120 L N -0.489 120.764 121.223 0.051 0.000 2.191 120 L HA -0.163 4.177 4.340 -0.001 0.000 0.212 120 L C 2.726 179.593 176.870 -0.005 0.000 1.103 120 L CA 1.296 56.182 54.840 0.076 0.000 0.769 120 L CB -0.551 41.503 42.059 -0.008 0.000 0.908 120 L HN 0.412 nan 8.230 nan 0.000 0.438 121 S N -0.424 115.233 115.700 -0.072 0.000 2.515 121 S HA -0.049 4.421 4.470 -0.001 0.000 0.231 121 S C 1.258 175.734 174.600 -0.208 0.000 0.987 121 S CA 0.661 58.783 58.200 -0.130 0.000 0.936 121 S CB -0.192 62.920 63.200 -0.147 0.000 0.766 121 S HN 0.311 nan 8.310 nan 0.000 0.528 122 V N -1.879 117.894 119.914 -0.235 0.000 2.988 122 V HA 0.755 4.875 4.120 -0.001 0.000 0.356 122 V C 0.521 176.519 176.094 -0.160 0.000 1.380 122 V CA -0.758 61.327 62.300 -0.359 0.000 1.184 122 V CB -0.862 30.378 31.823 -0.972 0.000 1.204 122 V HN 0.508 nan 8.190 nan 0.000 0.530 123 A N 1.972 124.650 122.820 -0.237 0.000 2.540 123 A HA 0.572 4.892 4.320 -0.001 0.000 0.239 123 A C -1.851 175.459 177.584 -0.455 0.000 1.061 123 A CA -0.467 51.209 52.037 -0.600 0.000 0.758 123 A CB -0.445 18.408 19.000 -0.245 0.000 0.991 123 A HN 0.514 nan 8.150 nan 0.000 0.502 124 P HA 0.140 nan 4.420 nan 0.000 0.272 124 P C -0.462 176.730 177.300 -0.181 0.000 1.240 124 P CA -0.260 62.648 63.100 -0.320 0.000 0.791 124 P CB 0.418 31.820 31.700 -0.496 0.000 0.978 125 K N 1.071 121.439 120.400 -0.054 0.000 2.412 125 K HA 0.295 4.615 4.320 -0.001 0.000 0.281 125 K C 1.198 177.772 176.600 -0.043 0.000 1.027 125 K CA 0.871 57.139 56.287 -0.032 0.000 0.989 125 K CB -0.310 32.200 32.500 0.017 0.000 0.935 125 K HN 0.835 nan 8.250 nan 0.000 0.475 126 G N 2.683 111.465 108.800 -0.030 0.000 2.195 126 G HA2 -0.267 3.693 3.960 -0.001 0.000 0.246 126 G HA3 -0.267 3.693 3.960 -0.001 0.000 0.246 126 G C 0.106 174.999 174.900 -0.013 0.000 0.984 126 G CA -0.161 44.933 45.100 -0.010 0.000 0.633 126 G HN 0.547 nan 8.290 nan 0.000 0.525 127 M N 2.349 121.923 119.600 -0.043 0.000 2.103 127 M HA 0.408 4.888 4.480 -0.001 0.000 0.350 127 M C 1.511 177.813 176.300 0.004 0.000 1.100 127 M CA 0.286 55.574 55.300 -0.019 0.000 1.042 127 M CB 1.360 33.949 32.600 -0.019 0.000 1.368 127 M HN 0.337 nan 8.290 nan 0.000 0.404 128 S N 1.073 116.765 115.700 -0.013 0.000 2.461 128 S HA 0.037 4.506 4.470 -0.001 0.000 0.228 128 S C 0.721 175.286 174.600 -0.058 0.000 1.005 128 S CA 0.323 58.513 58.200 -0.017 0.000 0.942 128 S CB 0.187 63.379 63.200 -0.014 0.000 0.776 128 S HN 0.655 nan 8.310 nan 0.000 0.514 129 Q N 0.927 120.620 119.800 -0.178 0.000 2.230 129 Q HA 0.678 5.017 4.340 -0.001 0.000 0.248 129 Q C -1.074 174.667 176.000 -0.432 0.000 0.915 129 Q CA -0.515 55.042 55.803 -0.410 0.000 0.900 129 Q CB 1.729 29.935 28.738 -0.886 0.000 1.229 129 Q HN 0.435 nan 8.270 nan 0.000 0.439 130 L N 2.504 123.505 121.223 -0.371 0.000 2.505 130 L HA 0.563 4.902 4.340 -0.001 0.000 0.266 130 L C -1.738 174.931 176.870 -0.334 0.000 0.954 130 L CA -0.149 54.447 54.840 -0.407 0.000 0.852 130 L CB 1.673 43.489 42.059 -0.405 0.000 1.282 130 L HN 0.622 nan 8.230 nan 0.000 0.403 131 I N 3.072 123.352 120.570 -0.483 0.000 2.608 131 I HA 0.587 4.756 4.170 -0.001 0.000 0.295 131 I C -0.180 175.685 176.117 -0.420 0.000 1.049 131 I CA -0.540 60.499 61.300 -0.434 0.000 1.063 131 I CB 2.612 40.259 38.000 -0.589 0.000 1.248 131 I HN 0.735 nan 8.210 nan 0.000 0.424 132 T N 3.578 118.014 114.554 -0.198 0.000 2.925 132 T HA 0.756 5.105 4.350 -0.001 0.000 0.285 132 T C -0.373 174.266 174.700 -0.101 0.000 1.021 132 T CA -0.797 61.233 62.100 -0.116 0.000 1.042 132 T CB 1.809 70.693 68.868 0.026 0.000 1.037 132 T HN 0.316 nan 8.240 nan 0.000 0.481 133 M N 0.661 120.210 119.600 -0.085 0.000 2.664 133 M HA 0.584 5.063 4.480 -0.001 0.000 0.279 133 M C 0.864 177.158 176.300 -0.010 0.000 1.275 133 M CA -1.038 54.234 55.300 -0.046 0.000 0.829 133 M CB 1.590 34.155 32.600 -0.058 0.000 1.727 133 M HN 0.830 nan 8.290 nan 0.000 0.459 134 A N 0.344 123.175 122.820 0.018 0.000 2.081 134 A HA 0.268 4.587 4.320 -0.001 0.000 0.214 134 A C 0.689 178.285 177.584 0.020 0.000 1.158 134 A CA 0.883 52.941 52.037 0.034 0.000 0.724 134 A CB -0.111 18.931 19.000 0.071 0.000 0.826 134 A HN 0.931 nan 8.150 nan 0.000 0.463 135 C N -5.264 114.037 119.300 0.001 0.000 3.318 135 C HA 0.741 5.200 4.460 -0.001 0.000 0.322 135 C C 1.694 176.668 174.990 -0.027 0.000 1.398 135 C CA -0.144 58.873 59.018 -0.002 0.000 1.339 135 C CB 0.980 28.724 27.740 0.007 0.000 1.668 135 C HN 0.497 nan 8.230 nan 0.000 0.462 136 G N 1.199 109.993 108.800 -0.009 0.000 2.469 136 G HA2 -0.091 3.868 3.960 -0.001 0.000 0.220 136 G HA3 -0.091 3.868 3.960 -0.001 0.000 0.220 136 G C 1.424 176.293 174.900 -0.052 0.000 1.136 136 G CA 1.600 46.691 45.100 -0.016 0.000 0.759 136 G HN 0.898 nan 8.290 nan 0.000 0.562 137 S N -0.166 115.511 115.700 -0.039 0.000 2.362 137 S HA -0.147 4.323 4.470 -0.001 0.000 0.221 137 S C 2.536 177.070 174.600 -0.109 0.000 1.032 137 S CA 1.287 59.446 58.200 -0.069 0.000 0.973 137 S CB -0.453 62.728 63.200 -0.033 0.000 0.849 137 S HN 0.776 nan 8.310 nan 0.000 0.465 138 C N 1.522 120.781 119.300 -0.069 0.000 2.456 138 C HA 0.154 4.614 4.460 -0.001 0.000 0.279 138 C C 2.573 177.509 174.990 -0.091 0.000 1.427 138 C CA -0.095 58.884 59.018 -0.064 0.000 1.778 138 C CB -1.589 26.142 27.740 -0.015 0.000 1.842 138 C HN 0.373 nan 8.230 nan 0.000 0.531 139 S N 2.372 118.002 115.700 -0.117 0.000 2.345 139 S HA -0.126 4.344 4.470 -0.001 0.000 0.219 139 S C 1.790 176.195 174.600 -0.325 0.000 1.031 139 S CA 1.537 59.668 58.200 -0.116 0.000 0.984 139 S CB -0.436 62.661 63.200 -0.173 0.000 0.874 139 S HN 0.662 nan 8.310 nan 0.000 0.451 140 N N 1.371 119.827 118.700 -0.406 0.000 2.120 140 N HA -0.077 4.663 4.740 -0.001 0.000 0.188 140 N C 1.681 176.544 175.510 -1.078 0.000 1.024 140 N CA 0.904 53.517 53.050 -0.728 0.000 0.852 140 N CB -0.394 37.711 38.487 -0.637 0.000 1.003 140 N HN 0.406 nan 8.380 nan 0.000 0.424 141 E N 0.975 120.780 120.200 -0.658 0.000 2.058 141 E HA -0.109 4.241 4.350 -0.001 0.000 0.194 141 E C 1.420 177.864 176.600 -0.261 0.000 0.997 141 E CA 0.784 56.942 56.400 -0.403 0.000 0.801 141 E CB -0.353 29.275 29.700 -0.119 0.000 0.746 141 E HN 0.439 nan 8.360 nan 0.000 0.450 142 N N 0.377 118.935 118.700 -0.237 0.000 2.331 142 N HA -0.055 4.684 4.740 -0.001 0.000 0.180 142 N C 1.714 176.960 175.510 -0.441 0.000 1.019 142 N CA 0.836 53.807 53.050 -0.131 0.000 0.881 142 N CB 0.080 38.634 38.487 0.112 0.000 0.972 142 N HN 0.083 nan 8.380 nan 0.000 0.435 143 A N 0.873 123.159 122.820 -0.891 0.000 1.897 143 A HA -0.011 4.309 4.320 -0.001 0.000 0.215 143 A C 1.978 179.277 177.584 -0.476 0.000 1.181 143 A CA 0.677 52.044 52.037 -1.117 0.000 0.620 143 A CB -0.856 17.473 19.000 -1.119 0.000 0.821 143 A HN 0.223 nan 8.150 nan 0.000 0.443 144 F N 0.281 119.958 119.950 -0.454 0.000 2.095 144 F HA -0.237 4.289 4.527 -0.001 0.000 0.298 144 F C 2.561 178.114 175.800 -0.412 0.000 1.104 144 F CA 1.338 59.051 58.000 -0.477 0.000 1.232 144 F CB -0.140 38.723 39.000 -0.227 0.000 0.987 144 F HN 0.182 nan 8.300 nan 0.000 0.475 145 K N 0.012 120.472 120.400 0.100 0.000 2.026 145 K HA -0.127 4.193 4.320 -0.001 0.000 0.208 145 K C 1.922 178.623 176.600 0.168 0.000 1.048 145 K CA 1.877 58.304 56.287 0.233 0.000 0.929 145 K CB -0.635 31.984 32.500 0.199 0.000 0.713 145 K HN 0.168 nan 8.250 nan 0.000 0.439 146 T N 2.088 116.670 114.554 0.047 0.000 2.699 146 T HA -0.164 4.186 4.350 -0.001 0.000 0.268 146 T C 1.975 176.805 174.700 0.218 0.000 1.036 146 T CA 1.359 63.519 62.100 0.100 0.000 1.147 146 T CB -0.242 68.592 68.868 -0.058 0.000 0.862 146 T HN 0.140 nan 8.240 nan 0.000 0.446 147 I N -0.003 120.601 120.570 0.057 0.000 2.142 147 I HA -0.135 4.035 4.170 -0.001 0.000 0.240 147 I C 2.059 178.374 176.117 0.330 0.000 1.078 147 I CA 1.541 62.945 61.300 0.172 0.000 1.343 147 I CB -0.447 37.438 38.000 -0.192 0.000 1.046 147 I HN 0.213 nan 8.210 nan 0.000 0.405 148 F N 0.328 120.439 119.950 0.269 0.000 2.120 148 F HA -0.317 4.210 4.527 -0.001 0.000 0.300 148 F C 2.623 178.625 175.800 0.336 0.000 1.095 148 F CA 1.294 59.463 58.000 0.281 0.000 1.249 148 F CB -0.494 38.602 39.000 0.160 0.000 0.995 148 F HN 0.011 nan 8.300 nan 0.000 0.480 149 M N -1.292 118.588 119.600 0.466 0.000 2.117 149 M HA -0.240 4.239 4.480 -0.001 0.000 0.262 149 M C 2.105 178.615 176.300 0.349 0.000 1.065 149 M CA 1.962 57.481 55.300 0.365 0.000 1.114 149 M CB -0.740 32.045 32.600 0.308 0.000 1.361 149 M HN 0.437 nan 8.290 nan 0.000 0.408 150 W N 0.132 121.529 121.300 0.160 0.000 2.381 150 W HA -0.243 4.416 4.660 -0.001 0.000 0.301 150 W C 2.106 178.642 176.519 0.029 0.000 1.205 150 W CA 1.342 58.683 57.345 -0.007 0.000 1.285 150 W CB -0.583 28.734 29.460 -0.238 0.000 1.133 150 W HN 0.155 nan 8.180 nan 0.000 0.521 151 Y N 1.330 121.635 120.300 0.009 0.000 2.163 151 Y HA -0.199 4.351 4.550 -0.001 0.000 0.288 151 Y C 2.598 178.429 175.900 -0.116 0.000 1.136 151 Y CA 2.221 60.153 58.100 -0.280 0.000 1.147 151 Y CB -0.466 38.000 38.460 0.010 0.000 0.987 151 Y HN -0.258 nan 8.280 nan 0.000 0.509 152 R N -0.136 120.542 120.500 0.298 0.000 2.120 152 R HA -0.130 4.209 4.340 -0.001 0.000 0.234 152 R C 2.542 178.866 176.300 0.040 0.000 1.123 152 R CA 1.392 57.637 56.100 0.242 0.000 0.975 152 R CB -1.401 29.057 30.300 0.263 0.000 0.866 152 R HN 0.490 nan 8.270 nan 0.000 0.446 153 S N 0.006 115.681 115.700 -0.041 0.000 2.470 153 S HA 0.023 4.493 4.470 -0.001 0.000 0.225 153 S C 1.687 176.145 174.600 -0.237 0.000 1.006 153 S CA 0.319 58.455 58.200 -0.107 0.000 0.934 153 S CB 0.181 63.343 63.200 -0.064 0.000 0.778 153 S HN 0.180 nan 8.310 nan 0.000 0.517 154 K N 1.167 121.309 120.400 -0.430 0.000 2.026 154 K HA -0.048 4.271 4.320 -0.001 0.000 0.208 154 K C 2.246 178.637 176.600 -0.350 0.000 1.048 154 K CA 1.666 57.651 56.287 -0.505 0.000 0.929 154 K CB -0.209 31.778 32.500 -0.855 0.000 0.713 154 K HN 0.548 nan 8.250 nan 0.000 0.439 155 E N 0.344 120.354 120.200 -0.316 0.000 2.106 155 E HA -0.195 4.155 4.350 -0.001 0.000 0.192 155 E C 2.036 178.577 176.600 -0.098 0.000 0.984 155 E CA 1.147 57.441 56.400 -0.177 0.000 0.806 155 E CB 0.062 29.724 29.700 -0.063 0.000 0.750 155 E HN 0.306 nan 8.360 nan 0.000 0.458 156 R N 0.139 120.590 120.500 -0.081 0.000 2.223 156 R HA 0.159 4.498 4.340 -0.001 0.000 0.198 156 R C 1.338 177.591 176.300 -0.079 0.000 0.984 156 R CA 0.729 56.797 56.100 -0.053 0.000 1.018 156 R CB -0.102 30.185 30.300 -0.021 0.000 0.945 156 R HN 0.093 nan 8.270 nan 0.000 0.479 157 G N 0.467 109.202 108.800 -0.108 0.000 2.614 157 G HA2 -0.548 3.412 3.960 -0.001 0.000 0.303 157 G HA3 -0.548 3.412 3.960 -0.001 0.000 0.303 157 G C 1.065 175.907 174.900 -0.097 0.000 1.270 157 G CA 1.818 46.854 45.100 -0.107 0.000 0.988 157 G HN 0.614 nan 8.290 nan 0.000 0.551 158 Q N -1.248 118.504 119.800 -0.080 0.000 2.197 158 Q HA -0.021 4.318 4.340 -0.001 0.000 0.211 158 Q C 2.266 178.216 176.000 -0.084 0.000 0.993 158 Q CA 2.840 58.599 55.803 -0.074 0.000 0.883 158 Q CB -1.287 27.417 28.738 -0.057 0.000 0.916 158 Q HN 2.177 nan 8.270 nan 0.000 0.418 159 S N 0.707 116.361 115.700 -0.078 0.000 2.561 159 S HA 0.428 4.898 4.470 -0.001 0.000 0.294 159 S C 0.528 175.055 174.600 -0.122 0.000 1.294 159 S CA -0.090 58.066 58.200 -0.075 0.000 1.055 159 S CB 0.567 63.737 63.200 -0.049 0.000 0.819 159 S HN 0.994 nan 8.310 nan 0.000 0.503 160 A N 2.408 125.164 122.820 -0.108 0.000 2.257 160 A HA 0.635 4.955 4.320 -0.001 0.000 0.289 160 A C -0.050 177.478 177.584 -0.094 0.000 1.095 160 A CA -0.738 51.200 52.037 -0.166 0.000 0.836 160 A CB 0.009 18.956 19.000 -0.087 0.000 1.111 160 A HN 0.698 nan 8.150 nan 0.000 0.497 161 F N 1.304 121.255 119.950 0.002 0.000 2.607 161 F HA 0.155 4.681 4.527 -0.001 0.000 0.374 161 F C 1.599 177.398 175.800 -0.002 0.000 1.104 161 F CA 0.690 58.691 58.000 0.002 0.000 1.296 161 F CB 0.572 39.576 39.000 0.006 0.000 1.085 161 F HN 0.624 nan 8.300 nan 0.000 0.584 162 S N 2.487 118.306 115.700 0.198 0.000 2.632 162 S HA 0.434 4.903 4.470 -0.001 0.000 0.271 162 S C 0.930 175.576 174.600 0.078 0.000 1.260 162 S CA -0.449 57.811 58.200 0.099 0.000 1.010 162 S CB 1.767 65.007 63.200 0.065 0.000 0.965 162 S HN 0.755 nan 8.310 nan 0.000 0.534 163 K N 1.170 121.599 120.400 0.048 0.000 2.097 163 K HA -0.070 4.250 4.320 -0.001 0.000 0.206 163 K C 1.958 178.566 176.600 0.012 0.000 1.049 163 K CA 1.868 58.171 56.287 0.028 0.000 0.933 163 K CB -1.448 31.063 32.500 0.019 0.000 0.717 163 K HN 0.883 nan 8.250 nan 0.000 0.442 164 E N 0.142 120.350 120.200 0.013 0.000 2.031 164 E HA -0.221 4.129 4.350 -0.001 0.000 0.193 164 E C 2.139 178.734 176.600 -0.008 0.000 0.994 164 E CA 1.442 57.843 56.400 0.001 0.000 0.800 164 E CB -0.030 29.672 29.700 0.003 0.000 0.752 164 E HN 0.742 nan 8.360 nan 0.000 0.447 165 E N 0.380 120.580 120.200 0.000 0.000 2.058 165 E HA -0.204 4.145 4.350 -0.001 0.000 0.194 165 E C 2.273 178.840 176.600 -0.055 0.000 0.997 165 E CA 1.141 57.529 56.400 -0.020 0.000 0.801 165 E CB -0.101 29.608 29.700 0.016 0.000 0.746 165 E HN 0.302 nan 8.360 nan 0.000 0.450 166 L N 0.559 121.756 121.223 -0.044 0.000 2.131 166 L HA -0.221 4.119 4.340 -0.001 0.000 0.210 166 L C 2.198 179.032 176.870 -0.061 0.000 1.092 166 L CA 1.174 55.970 54.840 -0.073 0.000 0.759 166 L CB -0.188 41.852 42.059 -0.031 0.000 0.903 166 L HN 0.163 nan 8.230 nan 0.000 0.435 167 E N -0.812 119.364 120.200 -0.039 0.000 2.075 167 E HA -0.130 4.220 4.350 -0.001 0.000 0.190 167 E C 2.154 178.732 176.600 -0.038 0.000 0.969 167 E CA 1.463 57.843 56.400 -0.034 0.000 0.815 167 E CB 0.061 29.748 29.700 -0.022 0.000 0.776 167 E HN 0.492 nan 8.360 nan 0.000 0.457 168 T N -0.218 114.313 114.554 -0.038 0.000 2.788 168 T HA -0.217 4.133 4.350 -0.001 0.000 0.268 168 T C 2.420 177.092 174.700 -0.048 0.000 1.044 168 T CA 1.218 63.295 62.100 -0.038 0.000 1.139 168 T CB -1.158 67.688 68.868 -0.037 0.000 0.867 168 T HN 0.448 nan 8.240 nan 0.000 0.454 169 C N 1.656 120.918 119.300 -0.063 0.000 2.411 169 C HA 0.095 4.555 4.460 -0.001 0.000 0.279 169 C C 2.639 177.595 174.990 -0.057 0.000 1.288 169 C CA 0.231 59.206 59.018 -0.073 0.000 1.764 169 C CB -1.556 26.119 27.740 -0.109 0.000 1.974 169 C HN 0.360 nan 8.230 nan 0.000 0.498 170 M N 1.874 121.442 119.600 -0.054 0.000 2.374 170 M HA 0.154 4.634 4.480 -0.001 0.000 0.264 170 M C 1.552 177.833 176.300 -0.032 0.000 1.067 170 M CA 1.306 56.580 55.300 -0.043 0.000 1.103 170 M CB -0.772 31.802 32.600 -0.042 0.000 1.402 170 M HN 0.767 nan 8.290 nan 0.000 0.444 171 I N -2.682 117.870 120.570 -0.030 0.000 3.283 171 I HA 0.320 4.490 4.170 -0.001 0.000 0.342 171 I C -0.674 175.430 176.117 -0.021 0.000 1.510 171 I CA -0.486 60.800 61.300 -0.024 0.000 1.006 171 I CB -0.325 37.661 38.000 -0.022 0.000 1.596 171 I HN 0.019 nan 8.210 nan 0.000 0.509 172 N N 1.752 120.439 118.700 -0.021 0.000 2.727 172 N HA -0.225 4.515 4.740 -0.001 0.000 0.249 172 N C -0.563 174.936 175.510 -0.019 0.000 1.048 172 N CA 1.066 54.107 53.050 -0.015 0.000 0.714 172 N CB -1.189 37.295 38.487 -0.005 0.000 0.959 172 N HN 0.774 nan 8.380 nan 0.000 0.544 173 Q N -1.029 118.753 119.800 -0.030 0.000 2.423 173 Q HA 0.774 5.114 4.340 -0.001 0.000 0.278 173 Q C -0.453 175.518 176.000 -0.047 0.000 1.097 173 Q CA -0.802 54.982 55.803 -0.032 0.000 0.809 173 Q CB 2.021 30.743 28.738 -0.026 0.000 1.391 173 Q HN 0.314 nan 8.270 nan 0.000 0.428 174 A N 1.946 124.738 122.820 -0.048 0.000 2.386 174 A HA 0.312 4.632 4.320 -0.001 0.000 0.248 174 A C -1.742 175.817 177.584 -0.043 0.000 1.082 174 A CA -0.888 51.113 52.037 -0.061 0.000 0.789 174 A CB -0.112 18.853 19.000 -0.058 0.000 1.025 174 A HN 0.564 nan 8.150 nan 0.000 0.490 175 P HA 0.030 nan 4.420 nan 0.000 0.240 175 P C 1.436 178.690 177.300 -0.077 0.000 1.190 175 P CA 1.069 64.134 63.100 -0.058 0.000 0.781 175 P CB 0.056 31.739 31.700 -0.030 0.000 0.931 176 G N 0.776 109.535 108.800 -0.068 0.000 2.491 176 G HA2 -0.231 3.728 3.960 -0.001 0.000 0.218 176 G HA3 -0.231 3.728 3.960 -0.001 0.000 0.218 176 G C 0.394 175.228 174.900 -0.109 0.000 1.180 176 G CA 0.637 45.687 45.100 -0.084 0.000 0.774 176 G HN 0.343 nan 8.290 nan 0.000 0.562 177 C N 3.110 122.345 119.300 -0.109 0.000 2.203 177 C HA 0.466 4.926 4.460 -0.001 0.000 0.325 177 C C -1.900 172.975 174.990 -0.193 0.000 1.156 177 C CA -1.815 57.123 59.018 -0.134 0.000 1.597 177 C CB 0.672 28.362 27.740 -0.083 0.000 2.148 177 C HN 0.317 nan 8.230 nan 0.000 0.472 178 P HA 0.143 nan 4.420 nan 0.000 0.277 178 P C -0.235 176.809 177.300 -0.426 0.000 1.240 178 P CA 0.140 62.939 63.100 -0.502 0.000 0.798 178 P CB 0.962 32.056 31.700 -1.010 0.000 0.979 179 D N 0.879 121.107 120.400 -0.286 0.000 2.676 179 D HA 0.078 4.718 4.640 -0.001 0.000 0.239 179 D C 0.067 176.403 176.300 0.060 0.000 1.213 179 D CA -0.282 53.681 54.000 -0.062 0.000 0.835 179 D CB -1.041 39.775 40.800 0.027 0.000 1.009 179 D HN 0.302 nan 8.370 nan 0.000 0.479 180 Y N -0.011 120.174 120.300 -0.191 0.000 2.330 180 Y HA 0.160 4.709 4.550 -0.001 0.000 0.341 180 Y C 1.461 177.165 175.900 -0.326 0.000 1.278 180 Y CA -0.739 57.223 58.100 -0.230 0.000 1.453 180 Y CB 0.805 39.141 38.460 -0.206 0.000 1.342 180 Y HN -0.016 nan 8.280 nan 0.000 0.590 181 S N 1.346 116.920 115.700 -0.209 0.000 2.632 181 S HA 0.665 5.135 4.470 -0.001 0.000 0.289 181 S C -1.390 172.651 174.600 -0.930 0.000 1.115 181 S CA -0.945 56.695 58.200 -0.933 0.000 0.889 181 S CB 2.003 64.860 63.200 -0.572 0.000 1.116 181 S HN 0.416 nan 8.310 nan 0.000 0.486 182 I N 2.052 121.690 120.570 -1.552 0.000 2.433 182 I HA 0.411 4.581 4.170 -0.001 0.000 0.292 182 I C -0.551 175.212 176.117 -0.591 0.000 1.001 182 I CA -0.705 59.983 61.300 -1.020 0.000 1.119 182 I CB 1.618 38.808 38.000 -1.350 0.000 1.289 182 I HN 0.808 nan 8.210 nan 0.000 0.438 183 L N 7.101 128.085 121.223 -0.398 0.000 2.292 183 L HA 0.488 4.828 4.340 -0.001 0.000 0.284 183 L C 0.246 177.012 176.870 -0.172 0.000 1.065 183 L CA 0.203 54.872 54.840 -0.286 0.000 0.806 183 L CB 1.042 42.913 42.059 -0.314 0.000 1.175 183 L HN 0.830 nan 8.230 nan 0.000 0.431 184 S N 2.972 118.607 115.700 -0.109 0.000 2.667 184 S HA 0.678 5.148 4.470 -0.001 0.000 0.292 184 S C -0.850 173.694 174.600 -0.094 0.000 1.126 184 S CA -0.777 57.475 58.200 0.086 0.000 0.881 184 S CB 1.458 64.876 63.200 0.363 0.000 1.132 184 S HN 0.422 nan 8.310 nan 0.000 0.492 185 F N 0.730 120.828 119.950 0.247 0.000 2.492 185 F HA 0.602 5.128 4.527 -0.001 0.000 0.327 185 F C 0.426 176.310 175.800 0.140 0.000 1.079 185 F CA -1.096 57.026 58.000 0.203 0.000 0.967 185 F CB 1.745 40.960 39.000 0.357 0.000 1.169 185 F HN 0.604 nan 8.300 nan 0.000 0.472 186 M N 2.044 121.790 119.600 0.244 0.000 2.252 186 M HA 0.344 4.824 4.480 -0.001 0.000 0.329 186 M C 1.059 177.506 176.300 0.244 0.000 1.101 186 M CA 1.006 56.415 55.300 0.182 0.000 1.117 186 M CB -0.212 32.471 32.600 0.140 0.000 1.563 186 M HN 0.853 nan 8.290 nan 0.000 0.445 187 G N 2.438 111.367 108.800 0.216 0.000 2.162 187 G HA2 -0.139 3.820 3.960 -0.001 0.000 0.260 187 G HA3 -0.139 3.820 3.960 -0.001 0.000 0.260 187 G C 0.192 175.155 174.900 0.105 0.000 0.976 187 G CA 0.434 45.617 45.100 0.138 0.000 0.655 187 G HN 1.305 nan 8.290 nan 0.000 0.533 188 A N -0.679 122.249 122.820 0.180 0.000 2.287 188 A HA 0.835 5.155 4.320 -0.001 0.000 0.273 188 A C -0.537 177.075 177.584 0.046 0.000 1.091 188 A CA 0.008 52.089 52.037 0.073 0.000 0.817 188 A CB 0.947 20.078 19.000 0.218 0.000 1.069 188 A HN 1.420 nan 8.150 nan 0.000 0.492 189 F N 0.581 120.299 119.950 -0.387 0.000 2.630 189 F HA 0.474 5.001 4.527 -0.001 0.000 0.325 189 F C -0.145 175.358 175.800 -0.496 0.000 1.184 189 F CA -0.467 57.350 58.000 -0.304 0.000 1.011 189 F CB 1.525 40.452 39.000 -0.122 0.000 1.268 189 F HN 0.649 nan 8.300 nan 0.000 0.480 190 H N 3.773 122.671 119.070 -0.287 0.000 3.052 190 H HA 0.508 5.063 4.556 -0.001 0.000 0.257 190 H C 0.682 175.878 175.328 -0.221 0.000 1.193 190 H CA 0.242 56.228 56.048 -0.103 0.000 1.072 190 H CB 0.880 30.646 29.762 0.008 0.000 1.685 190 H HN 0.858 nan 8.280 nan 0.000 0.630 191 G N 0.813 109.316 108.800 -0.494 0.000 2.408 191 G HA2 -0.110 3.850 3.960 -0.001 0.000 0.682 191 G HA3 -0.110 3.850 3.960 -0.001 0.000 0.682 191 G C -0.134 174.541 174.900 -0.376 0.000 1.303 191 G CA -0.801 44.135 45.100 -0.273 0.000 0.966 191 G HN 0.219 nan 8.290 nan 0.000 0.560 192 R N -0.607 119.801 120.500 -0.153 0.000 2.531 192 R HA 0.250 4.589 4.340 -0.001 0.000 0.316 192 R C 1.271 177.545 176.300 -0.043 0.000 0.955 192 R CA 0.559 56.594 56.100 -0.108 0.000 1.120 192 R CB 0.731 31.005 30.300 -0.043 0.000 1.361 192 R HN 0.867 nan 8.270 nan 0.000 0.534 193 T N -0.989 113.552 114.554 -0.022 0.000 2.795 193 T HA 0.033 4.383 4.350 -0.001 0.000 0.314 193 T C 1.441 176.159 174.700 0.030 0.000 1.069 193 T CA -0.155 61.949 62.100 0.008 0.000 1.071 193 T CB 0.852 69.731 68.868 0.018 0.000 0.988 193 T HN -0.042 nan 8.240 nan 0.000 0.543 194 M N 1.200 120.828 119.600 0.046 0.000 2.358 194 M HA -0.024 4.456 4.480 -0.001 0.000 0.264 194 M C 2.450 178.838 176.300 0.148 0.000 1.064 194 M CA 1.694 57.020 55.300 0.043 0.000 1.093 194 M CB -0.819 31.785 32.600 0.008 0.000 1.401 194 M HN 0.984 nan 8.290 nan 0.000 0.440 195 G N -0.539 108.412 108.800 0.252 0.000 2.417 195 G HA2 -0.139 3.821 3.960 -0.001 0.000 0.212 195 G HA3 -0.139 3.821 3.960 -0.001 0.000 0.212 195 G C 1.492 176.679 174.900 0.479 0.000 1.187 195 G CA 0.491 45.852 45.100 0.434 0.000 0.804 195 G HN 0.442 nan 8.290 nan 0.000 0.534 196 C N 0.241 119.738 119.300 0.328 0.000 2.398 196 C HA -0.067 4.392 4.460 -0.001 0.000 0.276 196 C C 2.732 177.813 174.990 0.152 0.000 1.222 196 C CA 0.788 59.959 59.018 0.255 0.000 1.746 196 C CB -1.058 26.683 27.740 0.001 0.000 2.039 196 C HN 0.404 nan 8.230 nan 0.000 0.470 197 L N 1.650 122.893 121.223 0.034 0.000 2.127 197 L HA -0.112 4.227 4.340 -0.001 0.000 0.211 197 L C 2.565 179.382 176.870 -0.089 0.000 1.089 197 L CA 2.137 56.931 54.840 -0.077 0.000 0.757 197 L CB -0.797 41.222 42.059 -0.068 0.000 0.899 197 L HN 0.312 nan 8.230 nan 0.000 0.434 198 A N -1.588 121.224 122.820 -0.014 0.000 1.972 198 A HA -0.198 4.121 4.320 -0.001 0.000 0.219 198 A C 2.243 179.849 177.584 0.038 0.000 1.169 198 A CA 2.008 54.003 52.037 -0.070 0.000 0.635 198 A CB -1.067 17.774 19.000 -0.264 0.000 0.810 198 A HN 0.588 nan 8.150 nan 0.000 0.446 199 T N -4.001 110.666 114.554 0.189 0.000 3.081 199 T HA 0.141 4.490 4.350 -0.001 0.000 0.250 199 T C 0.659 175.498 174.700 0.231 0.000 1.100 199 T CA 0.702 63.015 62.100 0.355 0.000 1.038 199 T CB -0.374 68.760 68.868 0.443 0.000 0.962 199 T HN 0.154 nan 8.240 nan 0.000 0.516 200 T N 2.751 117.203 114.554 -0.170 0.000 2.889 200 T HA 0.316 4.665 4.350 -0.001 0.000 0.291 200 T C -0.371 173.935 174.700 -0.657 0.000 0.995 200 T CA -0.383 61.538 62.100 -0.299 0.000 1.092 200 T CB 0.362 68.978 68.868 -0.420 0.000 0.954 200 T HN 0.398 nan 8.240 nan 0.000 0.506 201 H N 1.561 120.696 119.070 0.110 0.000 3.083 201 H HA 0.191 4.746 4.556 -0.001 0.000 0.217 201 H C 0.878 176.284 175.328 0.130 0.000 1.397 201 H CA -0.204 55.915 56.048 0.118 0.000 1.248 201 H CB 0.239 30.074 29.762 0.122 0.000 2.199 201 H HN 0.645 nan 8.280 nan 0.000 0.521 202 S N 0.013 115.849 115.700 0.226 0.000 2.370 202 S HA 0.141 4.610 4.470 -0.001 0.000 0.214 202 S C 0.748 175.394 174.600 0.077 0.000 1.033 202 S CA 0.156 58.497 58.200 0.236 0.000 0.941 202 S CB 1.304 64.810 63.200 0.510 0.000 0.886 202 S HN 0.228 nan 8.310 nan 0.000 0.521 203 K N -0.440 119.924 120.400 -0.060 0.000 2.550 203 K HA 0.627 4.946 4.320 -0.001 0.000 0.252 203 K C 0.348 176.801 176.600 -0.244 0.000 0.943 203 K CA -0.001 56.119 56.287 -0.279 0.000 0.806 203 K CB 1.725 33.830 32.500 -0.659 0.000 1.289 203 K HN 0.159 nan 8.250 nan 0.000 0.435 204 A N 3.629 126.378 122.820 -0.117 0.000 1.948 204 A HA -0.175 4.144 4.320 -0.001 0.000 0.220 204 A C 1.670 179.225 177.584 -0.048 0.000 1.177 204 A CA 1.597 53.604 52.037 -0.051 0.000 0.636 204 A CB -0.407 18.580 19.000 -0.023 0.000 0.815 204 A HN 0.735 nan 8.150 nan 0.000 0.449 205 I N -0.107 120.408 120.570 -0.092 0.000 2.454 205 I HA -0.241 3.929 4.170 -0.001 0.000 0.254 205 I C 2.059 178.233 176.117 0.096 0.000 1.156 205 I CA 1.652 62.947 61.300 -0.009 0.000 1.433 205 I CB -0.535 37.466 38.000 0.003 0.000 1.082 205 I HN 0.536 nan 8.210 nan 0.000 0.432 206 H N -0.483 118.620 119.070 0.055 0.000 2.462 206 H HA -0.002 4.554 4.556 -0.001 0.000 0.292 206 H C 1.579 176.920 175.328 0.021 0.000 1.049 206 H CA 0.738 56.825 56.048 0.065 0.000 1.334 206 H CB 0.184 30.023 29.762 0.127 0.000 1.404 206 H HN 0.236 nan 8.280 nan 0.000 0.544 207 K N 0.471 120.939 120.400 0.113 0.000 2.365 207 K HA 0.138 4.457 4.320 -0.001 0.000 0.195 207 K C 0.768 177.378 176.600 0.016 0.000 1.079 207 K CA -0.133 56.177 56.287 0.039 0.000 0.979 207 K CB 0.642 33.150 32.500 0.013 0.000 0.929 207 K HN 0.170 nan 8.250 nan 0.000 0.523 208 I N 2.946 123.529 120.570 0.021 0.000 2.710 208 I HA -0.168 4.002 4.170 -0.001 0.000 0.286 208 I C -0.308 175.810 176.117 0.003 0.000 1.181 208 I CA 1.065 62.371 61.300 0.009 0.000 1.430 208 I CB 0.306 38.312 38.000 0.010 0.000 1.367 208 I HN 0.326 nan 8.210 nan 0.000 0.577 209 D N 4.220 124.616 120.400 -0.008 0.000 2.911 209 D HA -0.161 4.478 4.640 -0.001 0.000 0.199 209 D C -0.476 175.807 176.300 -0.028 0.000 1.041 209 D CA 0.900 54.891 54.000 -0.015 0.000 1.013 209 D CB -0.801 39.994 40.800 -0.007 0.000 1.093 209 D HN 0.190 nan 8.370 nan 0.000 0.431 210 I N 1.660 122.209 120.570 -0.035 0.000 2.336 210 I HA 0.315 4.484 4.170 -0.001 0.000 0.292 210 I C -1.623 174.440 176.117 -0.090 0.000 0.991 210 I CA -2.124 59.143 61.300 -0.056 0.000 1.227 210 I CB 0.270 38.241 38.000 -0.048 0.000 1.366 210 I HN -0.284 nan 8.210 nan 0.000 0.466 211 P HA 0.197 nan 4.420 nan 0.000 0.268 211 P C -0.100 177.048 177.300 -0.252 0.000 1.208 211 P CA 0.071 63.065 63.100 -0.176 0.000 0.777 211 P CB 0.903 32.487 31.700 -0.194 0.000 0.875 212 S N 0.375 115.883 115.700 -0.320 0.000 2.840 212 S HA 0.727 5.197 4.470 -0.001 0.000 0.307 212 S C -1.672 172.565 174.600 -0.605 0.000 1.180 212 S CA -0.710 57.259 58.200 -0.385 0.000 0.846 212 S CB 0.362 63.442 63.200 -0.200 0.000 1.233 212 S HN 0.173 nan 8.310 nan 0.000 0.548 213 F N 1.534 121.197 119.950 -0.480 0.000 2.508 213 F HA 0.361 4.888 4.527 -0.001 0.000 0.325 213 F C -0.003 175.512 175.800 -0.475 0.000 1.090 213 F CA -0.684 56.901 58.000 -0.693 0.000 0.945 213 F CB 1.486 39.461 39.000 -1.708 0.000 1.156 213 F HN 0.525 nan 8.300 nan 0.000 0.463 214 D N 3.523 123.935 120.400 0.019 0.000 2.508 214 D HA 0.059 4.699 4.640 -0.001 0.000 0.224 214 D C -1.235 175.349 176.300 0.474 0.000 1.171 214 D CA 0.076 54.197 54.000 0.201 0.000 1.006 214 D CB -0.106 40.825 40.800 0.219 0.000 1.073 214 D HN 0.152 nan 8.370 nan 0.000 0.513 215 W N 3.407 124.799 121.300 0.155 0.000 2.706 215 W HA 0.407 5.066 4.660 -0.001 0.000 0.346 215 W C -2.031 174.338 176.519 -0.250 0.000 1.071 215 W CA -3.051 54.265 57.345 -0.048 0.000 1.206 215 W CB 0.384 29.814 29.460 -0.051 0.000 1.413 215 W HN 0.180 nan 8.180 nan 0.000 0.542 216 P HA 0.244 nan 4.420 nan 0.000 0.271 216 P C -0.495 176.648 177.300 -0.261 0.000 1.216 216 P CA 0.388 63.153 63.100 -0.559 0.000 0.771 216 P CB 1.157 32.330 31.700 -0.879 0.000 0.864 217 I N 1.897 122.340 120.570 -0.211 0.000 2.436 217 I HA 0.559 4.729 4.170 -0.001 0.000 0.289 217 I C 0.173 176.148 176.117 -0.238 0.000 1.010 217 I CA -0.852 60.287 61.300 -0.268 0.000 1.098 217 I CB 2.017 39.810 38.000 -0.346 0.000 1.266 217 I HN 0.315 nan 8.210 nan 0.000 0.434 218 A N 7.704 130.333 122.820 -0.319 0.000 2.356 218 A HA 0.930 5.249 4.320 -0.001 0.000 0.323 218 A C -2.725 174.865 177.584 0.011 0.000 1.119 218 A CA -1.817 50.073 52.037 -0.244 0.000 0.790 218 A CB 1.065 19.762 19.000 -0.505 0.000 1.273 218 A HN 0.389 nan 8.150 nan 0.000 0.452 219 P HA 0.297 nan 4.420 nan 0.000 0.275 219 P C -1.015 176.573 177.300 0.480 0.000 1.227 219 P CA 0.111 63.358 63.100 0.245 0.000 0.781 219 P CB 0.370 32.147 31.700 0.129 0.000 0.906 220 F N 4.383 124.493 119.950 0.267 0.000 2.420 220 F HA 0.473 5.000 4.527 -0.001 0.000 0.342 220 F C -2.163 173.578 175.800 -0.099 0.000 1.113 220 F CA -2.795 55.250 58.000 0.076 0.000 1.059 220 F CB 0.952 39.983 39.000 0.052 0.000 1.128 220 F HN 0.182 nan 8.300 nan 0.000 0.475 221 P HA -0.007 nan 4.420 nan 0.000 0.262 221 P C -1.237 175.939 177.300 -0.206 0.000 1.182 221 P CA 0.176 62.940 63.100 -0.560 0.000 0.761 221 P CB 0.356 31.501 31.700 -0.925 0.000 0.795 222 R N 4.475 124.928 120.500 -0.078 0.000 2.247 222 R HA 0.306 4.645 4.340 -0.001 0.000 0.329 222 R C -0.341 175.933 176.300 -0.044 0.000 1.014 222 R CA -0.496 55.614 56.100 0.017 0.000 0.907 222 R CB -0.182 30.145 30.300 0.045 0.000 1.146 222 R HN 0.450 nan 8.270 nan 0.000 0.499 223 L N 3.999 125.206 121.223 -0.026 0.000 2.439 223 L HA 0.229 4.568 4.340 -0.001 0.000 0.269 223 L C 0.416 177.172 176.870 -0.190 0.000 1.179 223 L CA 0.083 54.823 54.840 -0.166 0.000 0.828 223 L CB 0.674 42.586 42.059 -0.245 0.000 1.106 223 L HN 0.507 nan 8.230 nan 0.000 0.467 224 K N 2.106 122.259 120.400 -0.412 0.000 2.110 224 K HA 0.524 4.844 4.320 -0.001 0.000 0.263 224 K C -1.437 174.824 176.600 -0.565 0.000 0.975 224 K CA -0.561 55.397 56.287 -0.548 0.000 0.895 224 K CB 1.484 33.286 32.500 -1.164 0.000 1.060 224 K HN 0.245 nan 8.250 nan 0.000 0.448 225 Y N 0.754 120.950 120.300 -0.174 0.000 2.499 225 Y HA 0.323 4.873 4.550 -0.001 0.000 0.347 225 Y C -2.089 173.969 175.900 0.264 0.000 0.987 225 Y CA -2.442 55.713 58.100 0.092 0.000 1.044 225 Y CB 1.302 39.799 38.460 0.061 0.000 1.245 225 Y HN 0.481 nan 8.280 nan 0.000 0.461 226 P HA 0.279 nan 4.420 nan 0.000 0.282 226 P C 0.359 177.812 177.300 0.255 0.000 1.249 226 P CA -0.406 62.899 63.100 0.342 0.000 0.806 226 P CB 1.073 32.907 31.700 0.224 0.000 0.984 227 L N 1.282 122.566 121.223 0.102 0.000 2.079 227 L HA -0.273 4.067 4.340 -0.001 0.000 0.210 227 L C 2.218 179.120 176.870 0.053 0.000 1.081 227 L CA 1.800 56.640 54.840 -0.000 0.000 0.752 227 L CB -1.009 41.016 42.059 -0.057 0.000 0.896 227 L HN 0.467 nan 8.230 nan 0.000 0.433 228 E N 0.587 120.818 120.200 0.052 0.000 2.086 228 E HA -0.289 4.060 4.350 -0.001 0.000 0.200 228 E C 1.685 178.264 176.600 -0.035 0.000 1.012 228 E CA 1.822 58.233 56.400 0.017 0.000 0.812 228 E CB -0.471 29.242 29.700 0.021 0.000 0.743 228 E HN 0.542 nan 8.360 nan 0.000 0.453 229 E N -0.675 119.482 120.200 -0.073 0.000 2.511 229 E HA 0.016 4.365 4.350 -0.001 0.000 0.196 229 E C 0.273 176.509 176.600 -0.607 0.000 1.066 229 E CA 0.260 56.474 56.400 -0.311 0.000 0.871 229 E CB 0.091 29.559 29.700 -0.387 0.000 0.863 229 E HN 0.325 nan 8.360 nan 0.000 0.520 230 F N -1.399 118.526 119.950 -0.042 0.000 2.825 230 F HA 0.094 4.621 4.527 -0.001 0.000 0.322 230 F C 1.455 177.217 175.800 -0.064 0.000 1.127 230 F CA -0.284 57.682 58.000 -0.057 0.000 1.164 230 F CB 0.635 39.584 39.000 -0.086 0.000 1.101 230 F HN -0.170 nan 8.300 nan 0.000 0.529 231 V N 0.385 120.335 119.914 0.059 0.000 2.236 231 V HA -0.441 3.678 4.120 -0.001 0.000 0.255 231 V C 2.438 178.551 176.094 0.032 0.000 1.068 231 V CA 2.571 64.888 62.300 0.029 0.000 1.044 231 V CB -0.805 31.021 31.823 0.006 0.000 0.653 231 V HN 0.271 nan 8.190 nan 0.000 0.448 232 K N -1.128 119.290 120.400 0.030 0.000 2.002 232 K HA -0.210 4.110 4.320 -0.001 0.000 0.209 232 K C 2.071 178.695 176.600 0.040 0.000 1.048 232 K CA 1.775 58.078 56.287 0.027 0.000 0.930 232 K CB -0.604 31.908 32.500 0.020 0.000 0.714 232 K HN 0.758 nan 8.250 nan 0.000 0.438 233 E N 0.698 120.949 120.200 0.086 0.000 2.049 233 E HA -0.160 4.190 4.350 -0.001 0.000 0.198 233 E C 2.074 178.687 176.600 0.021 0.000 1.007 233 E CA 1.707 58.159 56.400 0.087 0.000 0.809 233 E CB -0.334 29.490 29.700 0.207 0.000 0.749 233 E HN 0.265 nan 8.360 nan 0.000 0.450 234 N N 0.288 118.998 118.700 0.017 0.000 2.223 234 N HA -0.147 4.593 4.740 -0.001 0.000 0.185 234 N C 1.703 177.178 175.510 -0.058 0.000 1.016 234 N CA 0.905 53.920 53.050 -0.058 0.000 0.863 234 N CB -0.144 38.298 38.487 -0.076 0.000 0.983 234 N HN 0.247 nan 8.380 nan 0.000 0.429 235 Q N 0.311 120.098 119.800 -0.023 0.000 2.020 235 Q HA -0.200 4.140 4.340 -0.001 0.000 0.202 235 Q C 2.565 178.553 176.000 -0.021 0.000 0.982 235 Q CA 2.451 58.243 55.803 -0.018 0.000 0.838 235 Q CB -0.321 28.416 28.738 -0.002 0.000 0.899 235 Q HN 0.586 nan 8.270 nan 0.000 0.423 236 Q N 0.867 120.660 119.800 -0.013 0.000 2.084 236 Q HA -0.238 4.101 4.340 -0.001 0.000 0.202 236 Q C 1.662 177.648 176.000 -0.024 0.000 0.978 236 Q CA 1.857 57.654 55.803 -0.010 0.000 0.844 236 Q CB -0.689 28.050 28.738 0.002 0.000 0.898 236 Q HN 0.489 nan 8.270 nan 0.000 0.426 237 E N 0.639 120.810 120.200 -0.048 0.000 2.051 237 E HA -0.192 4.158 4.350 -0.001 0.000 0.192 237 E C 1.942 178.478 176.600 -0.106 0.000 0.991 237 E CA 1.849 58.202 56.400 -0.077 0.000 0.799 237 E CB -0.165 29.469 29.700 -0.110 0.000 0.748 237 E HN 0.790 nan 8.360 nan 0.000 0.449 238 E N 0.037 120.156 120.200 -0.134 0.000 2.058 238 E HA -0.233 4.117 4.350 -0.001 0.000 0.194 238 E C 2.135 178.749 176.600 0.023 0.000 0.997 238 E CA 1.104 57.422 56.400 -0.137 0.000 0.801 238 E CB -0.326 29.311 29.700 -0.104 0.000 0.746 238 E HN 0.427 nan 8.360 nan 0.000 0.450 239 A N 1.855 124.684 122.820 0.015 0.000 1.908 239 A HA -0.251 4.068 4.320 -0.001 0.000 0.218 239 A C 2.141 179.742 177.584 0.028 0.000 1.181 239 A CA 1.801 53.854 52.037 0.026 0.000 0.627 239 A CB -0.605 18.401 19.000 0.010 0.000 0.818 239 A HN 0.168 nan 8.150 nan 0.000 0.445 240 R N -0.597 119.911 120.500 0.013 0.000 2.073 240 R HA -0.173 4.166 4.340 -0.001 0.000 0.234 240 R C 2.154 178.475 176.300 0.036 0.000 1.134 240 R CA 2.112 58.222 56.100 0.016 0.000 0.952 240 R CB -0.934 29.368 30.300 0.003 0.000 0.850 240 R HN 0.502 nan 8.270 nan 0.000 0.433 241 C N 0.927 120.253 119.300 0.043 0.000 2.436 241 C HA -0.063 4.397 4.460 -0.001 0.000 0.277 241 C C 2.740 177.831 174.990 0.169 0.000 1.241 241 C CA 0.737 59.817 59.018 0.104 0.000 1.721 241 C CB -1.019 26.758 27.740 0.062 0.000 2.043 241 C HN 0.541 nan 8.230 nan 0.000 0.472 242 L N 0.871 122.204 121.223 0.183 0.000 2.043 242 L HA -0.199 4.141 4.340 -0.001 0.000 0.212 242 L C 3.004 179.903 176.870 0.048 0.000 1.075 242 L CA 2.337 57.238 54.840 0.103 0.000 0.752 242 L CB -1.119 40.958 42.059 0.029 0.000 0.891 242 L HN 0.578 nan 8.230 nan 0.000 0.432 243 E N 0.387 120.612 120.200 0.041 0.000 2.077 243 E HA -0.255 4.094 4.350 -0.001 0.000 0.193 243 E C 1.932 178.544 176.600 0.020 0.000 0.989 243 E CA 1.500 57.916 56.400 0.026 0.000 0.800 243 E CB -0.649 29.065 29.700 0.023 0.000 0.746 243 E HN 0.649 nan 8.360 nan 0.000 0.452 244 E N -0.107 120.111 120.200 0.029 0.000 2.153 244 E HA -0.089 4.261 4.350 -0.001 0.000 0.194 244 E C 2.307 178.896 176.600 -0.018 0.000 0.988 244 E CA 1.040 57.449 56.400 0.015 0.000 0.811 244 E CB -0.072 29.644 29.700 0.028 0.000 0.746 244 E HN 0.404 nan 8.360 nan 0.000 0.466 245 V N 1.211 121.118 119.914 -0.011 0.000 2.237 245 V HA -0.285 3.835 4.120 -0.001 0.000 0.245 245 V C 2.311 178.332 176.094 -0.120 0.000 1.046 245 V CA 2.135 64.387 62.300 -0.080 0.000 1.007 245 V CB -0.460 31.352 31.823 -0.019 0.000 0.638 245 V HN 0.252 nan 8.190 nan 0.000 0.445 246 E N 0.051 120.196 120.200 -0.092 0.000 2.049 246 E HA -0.291 4.058 4.350 -0.001 0.000 0.198 246 E C 1.916 178.443 176.600 -0.122 0.000 1.007 246 E CA 1.940 58.257 56.400 -0.139 0.000 0.809 246 E CB -0.157 29.543 29.700 -0.001 0.000 0.749 246 E HN 0.632 nan 8.360 nan 0.000 0.450 247 D N 0.323 120.697 120.400 -0.043 0.000 2.106 247 D HA -0.208 4.432 4.640 -0.001 0.000 0.191 247 D C 2.152 178.444 176.300 -0.013 0.000 0.997 247 D CA 0.941 54.934 54.000 -0.011 0.000 0.834 247 D CB -0.458 40.347 40.800 0.009 0.000 0.956 247 D HN 0.252 nan 8.370 nan 0.000 0.448 248 L N 0.632 121.836 121.223 -0.033 0.000 2.013 248 L HA -0.214 4.126 4.340 -0.001 0.000 0.212 248 L C 2.610 179.477 176.870 -0.004 0.000 1.073 248 L CA 0.963 55.797 54.840 -0.010 0.000 0.753 248 L CB -0.357 41.632 42.059 -0.116 0.000 0.890 248 L HN 0.059 nan 8.230 nan 0.000 0.432 249 I N -1.209 119.278 120.570 -0.139 0.000 2.163 249 I HA -0.316 3.854 4.170 -0.001 0.000 0.243 249 I C 2.467 178.555 176.117 -0.048 0.000 1.085 249 I CA 1.323 62.518 61.300 -0.175 0.000 1.347 249 I CB -0.480 37.260 38.000 -0.434 0.000 1.044 249 I HN 0.052 nan 8.210 nan 0.000 0.408 250 V N 0.991 120.875 119.914 -0.050 0.000 2.255 250 V HA -0.340 3.780 4.120 -0.001 0.000 0.247 250 V C 2.578 178.709 176.094 0.061 0.000 1.051 250 V CA 2.102 64.425 62.300 0.038 0.000 1.018 250 V CB -0.754 31.102 31.823 0.054 0.000 0.641 250 V HN 0.420 nan 8.190 nan 0.000 0.445 251 K N -1.056 119.392 120.400 0.079 0.000 2.074 251 K HA -0.247 4.073 4.320 -0.001 0.000 0.209 251 K C 2.144 178.750 176.600 0.010 0.000 1.048 251 K CA 2.216 58.542 56.287 0.064 0.000 0.926 251 K CB -0.280 32.296 32.500 0.125 0.000 0.713 251 K HN 0.517 nan 8.250 nan 0.000 0.444 252 Y N -0.251 120.036 120.300 -0.023 0.000 2.395 252 Y HA -0.114 4.436 4.550 -0.001 0.000 0.293 252 Y C 2.725 178.617 175.900 -0.013 0.000 1.123 252 Y CA 0.849 58.940 58.100 -0.015 0.000 1.227 252 Y CB -0.232 38.206 38.460 -0.036 0.000 1.012 252 Y HN -0.039 nan 8.280 nan 0.000 0.552 253 R N 0.810 121.372 120.500 0.104 0.000 2.081 253 R HA -0.122 4.218 4.340 -0.001 0.000 0.235 253 R C 1.964 178.286 176.300 0.038 0.000 1.131 253 R CA 1.879 58.016 56.100 0.061 0.000 0.960 253 R CB -0.528 29.813 30.300 0.067 0.000 0.856 253 R HN 0.455 nan 8.270 nan 0.000 0.436 254 K N -0.051 120.359 120.400 0.016 0.000 2.155 254 K HA 0.035 4.355 4.320 -0.001 0.000 0.203 254 K C 2.305 178.882 176.600 -0.039 0.000 1.052 254 K CA 1.450 57.733 56.287 -0.006 0.000 0.948 254 K CB -0.103 32.391 32.500 -0.010 0.000 0.728 254 K HN 0.221 nan 8.250 nan 0.000 0.448 255 K N 1.073 121.413 120.400 -0.099 0.000 2.574 255 K HA -0.022 4.298 4.320 -0.001 0.000 0.193 255 K C -0.154 176.416 176.600 -0.051 0.000 1.035 255 K CA 0.463 56.666 56.287 -0.141 0.000 0.982 255 K CB 0.042 32.326 32.500 -0.359 0.000 0.795 255 K HN 0.046 nan 8.250 nan 0.000 0.491 256 K N 0.261 120.663 120.400 0.002 0.000 3.071 256 K HA -0.208 4.112 4.320 -0.001 0.000 0.265 256 K C -0.808 175.853 176.600 0.102 0.000 1.060 256 K CA 0.808 57.130 56.287 0.058 0.000 0.767 256 K CB -1.131 31.397 32.500 0.047 0.000 1.241 256 K HN 0.174 nan 8.250 nan 0.000 0.486 257 K N 0.985 121.454 120.400 0.115 0.000 3.205 257 K HA 0.103 4.422 4.320 -0.001 0.000 0.202 257 K C -0.416 176.299 176.600 0.191 0.000 1.160 257 K CA -0.335 56.077 56.287 0.207 0.000 0.995 257 K CB 0.962 33.628 32.500 0.277 0.000 1.041 257 K HN 0.053 nan 8.250 nan 0.000 0.507 258 T N 1.151 115.761 114.554 0.093 0.000 2.872 258 T HA -0.083 4.266 4.350 -0.001 0.000 0.292 258 T C 0.574 175.110 174.700 -0.272 0.000 1.036 258 T CA 0.231 62.248 62.100 -0.140 0.000 1.136 258 T CB 0.554 69.165 68.868 -0.429 0.000 1.052 258 T HN -0.007 nan 8.240 nan 0.000 0.512 259 V N 3.852 123.605 119.914 -0.268 0.000 2.370 259 V HA 0.286 4.406 4.120 -0.001 0.000 0.257 259 V C 1.264 177.082 176.094 -0.461 0.000 1.064 259 V CA 0.009 62.111 62.300 -0.331 0.000 0.975 259 V CB 0.071 31.744 31.823 -0.251 0.000 1.067 259 V HN 1.137 nan 8.190 nan 0.000 0.485 260 A N 4.162 126.658 122.820 -0.540 0.000 1.970 260 A HA 0.502 4.822 4.320 -0.001 0.000 0.216 260 A C 1.190 178.681 177.584 -0.155 0.000 1.170 260 A CA 1.082 52.782 52.037 -0.562 0.000 0.645 260 A CB -0.009 18.790 19.000 -0.336 0.000 0.816 260 A HN 0.950 nan 8.150 nan 0.000 0.447 261 G N -1.596 107.041 108.800 -0.272 0.000 2.692 261 G HA2 0.550 4.509 3.960 -0.001 0.000 0.291 261 G HA3 0.550 4.509 3.960 -0.001 0.000 0.291 261 G C -1.335 173.435 174.900 -0.217 0.000 1.423 261 G CA -0.592 44.389 45.100 -0.198 0.000 0.843 261 G HN 0.109 nan 8.290 nan 0.000 0.486 262 I N 0.902 121.422 120.570 -0.083 0.000 2.465 262 I HA 0.500 4.670 4.170 -0.001 0.000 0.291 262 I C -0.632 175.466 176.117 -0.031 0.000 1.014 262 I CA -0.796 60.497 61.300 -0.012 0.000 1.093 262 I CB 2.207 40.324 38.000 0.196 0.000 1.267 262 I HN 0.352 nan 8.210 nan 0.000 0.431 263 I N 7.014 127.572 120.570 -0.020 0.000 2.474 263 I HA 0.706 4.876 4.170 -0.001 0.000 0.294 263 I C -1.504 174.728 176.117 0.193 0.000 1.005 263 I CA -0.600 60.662 61.300 -0.063 0.000 1.113 263 I CB 1.917 39.791 38.000 -0.210 0.000 1.289 263 I HN 0.389 nan 8.210 nan 0.000 0.436 264 V N 6.585 126.610 119.914 0.185 0.000 3.120 264 V HA 0.438 4.557 4.120 -0.001 0.000 0.303 264 V C -1.259 175.045 176.094 0.349 0.000 1.238 264 V CA -0.431 62.118 62.300 0.415 0.000 1.008 264 V CB 2.658 34.767 31.823 0.475 0.000 1.064 264 V HN 0.836 nan 8.190 nan 0.000 0.434 265 E N 5.554 125.967 120.200 0.356 0.000 2.216 265 E HA 0.365 4.714 4.350 -0.001 0.000 0.279 265 E C -2.042 174.681 176.600 0.205 0.000 0.997 265 E CA -1.672 54.857 56.400 0.215 0.000 0.817 265 E CB 1.837 31.601 29.700 0.106 0.000 1.096 265 E HN 0.470 nan 8.360 nan 0.000 0.393 266 P HA -0.132 nan 4.420 nan 0.000 0.216 266 P C -0.302 176.997 177.300 -0.002 0.000 1.150 266 P CA 1.367 64.378 63.100 -0.147 0.000 0.843 266 P CB 0.286 31.867 31.700 -0.199 0.000 0.787 267 I N -1.471 119.058 120.570 -0.069 0.000 2.534 267 I HA 0.155 4.324 4.170 -0.001 0.000 0.288 267 I C -0.235 175.822 176.117 -0.101 0.000 1.077 267 I CA -0.828 60.394 61.300 -0.131 0.000 1.051 267 I CB 2.327 40.067 38.000 -0.433 0.000 1.234 267 I HN -0.306 nan 8.210 nan 0.000 0.425 268 Q N 3.947 123.637 119.800 -0.182 0.000 2.286 268 Q HA 0.230 4.570 4.340 -0.001 0.000 0.267 268 Q C 0.207 176.188 176.000 -0.032 0.000 1.028 268 Q CA -0.081 55.608 55.803 -0.191 0.000 0.901 268 Q CB 1.477 29.972 28.738 -0.405 0.000 1.183 268 Q HN 0.702 nan 8.270 nan 0.000 0.392 269 S N 2.323 118.037 115.700 0.025 0.000 2.338 269 S HA -0.068 4.401 4.470 -0.001 0.000 0.197 269 S C 1.319 175.907 174.600 -0.020 0.000 0.990 269 S CA 0.090 58.328 58.200 0.064 0.000 0.920 269 S CB 0.132 63.394 63.200 0.104 0.000 0.903 269 S HN 0.583 nan 8.310 nan 0.000 0.542 270 E N 1.447 121.597 120.200 -0.083 0.000 2.160 270 E HA -0.080 4.270 4.350 -0.001 0.000 0.195 270 E C 1.963 178.554 176.600 -0.015 0.000 0.991 270 E CA 1.062 57.382 56.400 -0.134 0.000 0.810 270 E CB -0.909 28.548 29.700 -0.405 0.000 0.742 270 E HN 0.554 nan 8.360 nan 0.000 0.466 271 G N -0.007 108.811 108.800 0.029 0.000 2.625 271 G HA2 0.093 4.052 3.960 -0.001 0.000 0.214 271 G HA3 0.093 4.052 3.960 -0.001 0.000 0.214 271 G C 0.855 175.771 174.900 0.027 0.000 1.132 271 G CA 0.569 45.698 45.100 0.050 0.000 0.782 271 G HN 0.428 nan 8.290 nan 0.000 0.538 272 G N 0.178 108.984 108.800 0.009 0.000 2.441 272 G HA2 -0.000 3.959 3.960 -0.001 0.000 0.139 272 G HA3 -0.000 3.959 3.960 -0.001 0.000 0.139 272 G C -0.294 174.633 174.900 0.046 0.000 1.067 272 G CA -0.171 44.935 45.100 0.011 0.000 0.766 272 G HN 0.266 nan 8.290 nan 0.000 0.484 273 D N 0.094 120.527 120.400 0.056 0.000 2.886 273 D HA -0.153 4.486 4.640 -0.001 0.000 0.221 273 D C 0.307 176.744 176.300 0.228 0.000 1.227 273 D CA 1.259 55.345 54.000 0.143 0.000 0.746 273 D CB -0.380 40.524 40.800 0.173 0.000 0.935 273 D HN 0.522 nan 8.370 nan 0.000 0.399 274 N N 1.772 120.555 118.700 0.140 0.000 2.422 274 N HA 0.186 4.925 4.740 -0.001 0.000 0.266 274 N C 0.015 175.737 175.510 0.352 0.000 1.007 274 N CA -0.112 53.099 53.050 0.270 0.000 0.941 274 N CB 0.876 39.460 38.487 0.161 0.000 1.115 274 N HN 0.395 nan 8.380 nan 0.000 0.492 275 H N 0.194 119.498 119.070 0.389 0.000 2.544 275 H HA 0.753 5.308 4.556 -0.001 0.000 0.342 275 H C -0.394 175.111 175.328 0.294 0.000 1.185 275 H CA -0.878 55.406 56.048 0.393 0.000 1.264 275 H CB 2.081 32.028 29.762 0.308 0.000 1.607 275 H HN 0.572 nan 8.280 nan 0.000 0.550 276 A N 0.941 123.992 122.820 0.386 0.000 2.593 276 A HA 0.430 4.750 4.320 -0.001 0.000 0.290 276 A C -0.391 177.315 177.584 0.204 0.000 1.126 276 A CA -0.652 51.373 52.037 -0.020 0.000 0.695 276 A CB 1.222 19.801 19.000 -0.701 0.000 1.290 276 A HN 0.702 nan 8.150 nan 0.000 0.414 277 S N -0.026 115.718 115.700 0.074 0.000 2.592 277 S HA 0.250 4.719 4.470 -0.001 0.000 0.271 277 S C -0.020 174.757 174.600 0.296 0.000 1.326 277 S CA 0.111 58.413 58.200 0.171 0.000 1.024 277 S CB 0.697 63.947 63.200 0.084 0.000 0.921 277 S HN 0.523 nan 8.310 nan 0.000 0.527 278 D N 1.107 121.693 120.400 0.309 0.000 2.144 278 D HA -0.123 4.517 4.640 -0.001 0.000 0.199 278 D C 1.399 177.762 176.300 0.105 0.000 0.984 278 D CA 1.637 55.822 54.000 0.310 0.000 0.834 278 D CB -0.542 40.478 40.800 0.366 0.000 0.955 278 D HN 0.867 nan 8.370 nan 0.000 0.465 279 D N -0.343 120.112 120.400 0.091 0.000 2.123 279 D HA -0.205 4.434 4.640 -0.001 0.000 0.196 279 D C 1.889 178.151 176.300 -0.064 0.000 0.992 279 D CA 0.686 54.695 54.000 0.016 0.000 0.833 279 D CB -0.230 40.588 40.800 0.030 0.000 0.954 279 D HN 0.128 nan 8.370 nan 0.000 0.455 280 F N 0.090 119.915 119.950 -0.208 0.000 2.046 280 F HA -0.164 4.363 4.527 -0.001 0.000 0.297 280 F C 1.854 177.359 175.800 -0.491 0.000 1.123 280 F CA 1.612 59.386 58.000 -0.376 0.000 1.199 280 F CB -0.811 37.865 39.000 -0.540 0.000 0.972 280 F HN -0.021 nan 8.300 nan 0.000 0.474 281 F N 0.599 120.230 119.950 -0.533 0.000 2.161 281 F HA -0.156 4.370 4.527 -0.001 0.000 0.300 281 F C 2.603 177.877 175.800 -0.877 0.000 1.089 281 F CA 1.581 59.013 58.000 -0.947 0.000 1.282 281 F CB -0.600 37.413 39.000 -1.645 0.000 1.010 281 F HN -0.120 nan 8.300 nan 0.000 0.485 282 R N 0.460 120.699 120.500 -0.434 0.000 2.081 282 R HA -0.143 4.197 4.340 -0.001 0.000 0.235 282 R C 2.118 178.236 176.300 -0.305 0.000 1.131 282 R CA 1.394 57.335 56.100 -0.265 0.000 0.960 282 R CB -0.308 29.934 30.300 -0.098 0.000 0.856 282 R HN 0.297 nan 8.270 nan 0.000 0.436 283 K N 0.360 120.555 120.400 -0.340 0.000 2.097 283 K HA -0.121 4.198 4.320 -0.001 0.000 0.205 283 K C 2.041 178.400 176.600 -0.402 0.000 1.050 283 K CA 0.778 56.878 56.287 -0.313 0.000 0.938 283 K CB -0.222 32.118 32.500 -0.265 0.000 0.718 283 K HN 0.027 nan 8.250 nan 0.000 0.442 284 L N 1.877 122.733 121.223 -0.612 0.000 2.083 284 L HA -0.147 4.192 4.340 -0.001 0.000 0.209 284 L C 2.318 178.791 176.870 -0.660 0.000 1.083 284 L CA 1.632 56.123 54.840 -0.582 0.000 0.752 284 L CB -0.460 41.182 42.059 -0.695 0.000 0.899 284 L HN 0.068 nan 8.230 nan 0.000 0.433 285 R N -0.226 119.754 120.500 -0.866 0.000 2.096 285 R HA -0.158 4.182 4.340 -0.001 0.000 0.235 285 R C 1.762 177.745 176.300 -0.528 0.000 1.127 285 R CA 1.784 57.226 56.100 -1.098 0.000 0.968 285 R CB -0.513 29.367 30.300 -0.700 0.000 0.861 285 R HN 0.453 nan 8.270 nan 0.000 0.440 286 D N 0.377 120.578 120.400 -0.331 0.000 2.117 286 D HA -0.097 4.542 4.640 -0.001 0.000 0.198 286 D C 2.018 178.246 176.300 -0.121 0.000 0.982 286 D CA 0.925 54.819 54.000 -0.176 0.000 0.828 286 D CB -0.216 40.506 40.800 -0.131 0.000 0.967 286 D HN 0.257 nan 8.370 nan 0.000 0.464 287 I N 0.413 120.904 120.570 -0.133 0.000 2.163 287 I HA -0.297 3.872 4.170 -0.001 0.000 0.243 287 I C 2.506 178.672 176.117 0.082 0.000 1.085 287 I CA 0.914 62.217 61.300 0.004 0.000 1.347 287 I CB -0.263 37.716 38.000 -0.035 0.000 1.044 287 I HN -0.044 nan 8.210 nan 0.000 0.408 288 S N 0.372 116.043 115.700 -0.049 0.000 2.359 288 S HA -0.291 4.179 4.470 -0.001 0.000 0.223 288 S C 2.229 176.889 174.600 0.100 0.000 1.039 288 S CA 1.900 60.117 58.200 0.029 0.000 1.042 288 S CB -0.292 62.883 63.200 -0.040 0.000 0.915 288 S HN 0.318 nan 8.310 nan 0.000 0.439 289 R N 0.906 121.421 120.500 0.025 0.000 2.073 289 R HA -0.116 4.224 4.340 -0.001 0.000 0.234 289 R C 2.447 178.790 176.300 0.071 0.000 1.134 289 R CA 1.919 58.059 56.100 0.066 0.000 0.952 289 R CB -0.371 29.937 30.300 0.014 0.000 0.850 289 R HN 0.455 nan 8.270 nan 0.000 0.433 290 K N -0.516 119.899 120.400 0.025 0.000 2.113 290 K HA -0.193 4.127 4.320 -0.001 0.000 0.208 290 K C 0.954 177.479 176.600 -0.125 0.000 1.047 290 K CA 1.769 58.016 56.287 -0.067 0.000 0.928 290 K CB -0.111 32.320 32.500 -0.116 0.000 0.716 290 K HN 0.453 nan 8.250 nan 0.000 0.446 291 H N -1.271 117.822 119.070 0.038 0.000 2.520 291 H HA 0.141 4.696 4.556 -0.001 0.000 0.284 291 H C 0.673 176.072 175.328 0.118 0.000 1.037 291 H CA 0.483 56.566 56.048 0.057 0.000 1.168 291 H CB 0.886 30.670 29.762 0.037 0.000 1.497 291 H HN 0.570 nan 8.280 nan 0.000 0.547 292 G N 1.390 110.338 108.800 0.247 0.000 2.179 292 G HA2 -0.306 3.653 3.960 -0.001 0.000 0.257 292 G HA3 -0.306 3.653 3.960 -0.001 0.000 0.257 292 G C 0.224 175.440 174.900 0.525 0.000 1.010 292 G CA 0.320 45.612 45.100 0.321 0.000 0.736 292 G HN 0.417 nan 8.290 nan 0.000 0.513 293 C N 1.226 120.759 119.300 0.389 0.000 2.435 293 C HA 0.730 5.189 4.460 -0.001 0.000 0.375 293 C C 1.343 176.530 174.990 0.328 0.000 1.281 293 C CA -0.302 58.909 59.018 0.321 0.000 1.963 293 C CB 0.194 28.024 27.740 0.151 0.000 2.490 293 C HN 1.091 nan 8.230 nan 0.000 0.557 294 A N 3.337 126.331 122.820 0.290 0.000 2.488 294 A HA 0.444 4.763 4.320 -0.001 0.000 0.249 294 A C -0.529 177.066 177.584 0.017 0.000 1.083 294 A CA -0.000 52.027 52.037 -0.016 0.000 0.768 294 A CB -0.016 18.841 19.000 -0.239 0.000 1.017 294 A HN 0.785 nan 8.150 nan 0.000 0.496 295 F N 3.692 123.535 119.950 -0.179 0.000 2.334 295 F HA 0.448 4.975 4.527 -0.001 0.000 0.367 295 F C -0.358 175.344 175.800 -0.164 0.000 1.115 295 F CA -1.057 56.878 58.000 -0.108 0.000 1.116 295 F CB 0.767 39.746 39.000 -0.036 0.000 1.230 295 F HN 0.464 nan 8.300 nan 0.000 0.484 296 L N 7.711 128.657 121.223 -0.463 0.000 2.262 296 L HA 0.504 4.844 4.340 -0.001 0.000 0.288 296 L C -1.235 175.329 176.870 -0.509 0.000 1.035 296 L CA -0.646 53.924 54.840 -0.450 0.000 0.820 296 L CB 0.979 42.852 42.059 -0.310 0.000 1.204 296 L HN 0.301 nan 8.230 nan 0.000 0.424 297 V N 3.810 123.448 119.914 -0.461 0.000 2.394 297 V HA 0.210 4.329 4.120 -0.001 0.000 0.282 297 V C -0.186 175.812 176.094 -0.160 0.000 1.031 297 V CA -0.585 61.535 62.300 -0.300 0.000 0.881 297 V CB 1.612 33.268 31.823 -0.278 0.000 0.982 297 V HN 0.602 nan 8.190 nan 0.000 0.451 298 D N 4.043 124.421 120.400 -0.036 0.000 2.467 298 D HA 0.187 4.827 4.640 -0.001 0.000 0.220 298 D C 0.567 176.921 176.300 0.090 0.000 1.103 298 D CA -0.264 53.761 54.000 0.043 0.000 0.886 298 D CB 0.982 41.889 40.800 0.178 0.000 1.025 298 D HN 0.566 nan 8.370 nan 0.000 0.514 299 E N 2.759 123.016 120.200 0.096 0.000 2.394 299 E HA 0.038 4.388 4.350 -0.001 0.000 0.191 299 E C 1.597 178.356 176.600 0.264 0.000 1.044 299 E CA -0.104 56.406 56.400 0.184 0.000 0.939 299 E CB 0.943 30.817 29.700 0.290 0.000 1.089 299 E HN 0.351 nan 8.360 nan 0.000 0.456 300 V N 0.917 120.953 119.914 0.203 0.000 2.324 300 V HA -0.312 3.807 4.120 -0.001 0.000 0.250 300 V C 2.397 178.594 176.094 0.172 0.000 1.060 300 V CA 2.217 64.638 62.300 0.201 0.000 1.042 300 V CB -0.218 31.690 31.823 0.141 0.000 0.650 300 V HN 0.328 nan 8.190 nan 0.000 0.450 301 Q N -0.701 119.188 119.800 0.148 0.000 2.304 301 Q HA -0.090 4.249 4.340 -0.001 0.000 0.204 301 Q C 2.240 178.350 176.000 0.184 0.000 0.936 301 Q CA 1.192 57.084 55.803 0.149 0.000 0.878 301 Q CB 0.166 28.999 28.738 0.157 0.000 0.983 301 Q HN 0.766 nan 8.270 nan 0.000 0.516 302 T N -2.183 112.415 114.554 0.073 0.000 3.035 302 T HA 0.124 4.473 4.350 -0.001 0.000 0.268 302 T C 0.934 175.600 174.700 -0.057 0.000 1.109 302 T CA 0.356 62.374 62.100 -0.136 0.000 1.119 302 T CB -0.165 68.513 68.868 -0.317 0.000 0.900 302 T HN 0.243 nan 8.240 nan 0.000 0.503 303 G N -0.464 108.393 108.800 0.094 0.000 2.467 303 G HA2 0.459 4.418 3.960 -0.001 0.000 0.257 303 G HA3 0.459 4.418 3.960 -0.001 0.000 0.257 303 G C 0.826 175.542 174.900 -0.306 0.000 1.227 303 G CA -0.230 44.925 45.100 0.091 0.000 0.835 303 G HN 1.127 nan 8.290 nan 0.000 0.556 304 G N -0.831 107.422 108.800 -0.912 0.000 2.151 304 G HA2 0.316 4.275 3.960 -0.001 0.000 0.140 304 G HA3 0.316 4.275 3.960 -0.001 0.000 0.140 304 G C 1.163 175.449 174.900 -1.022 0.000 1.020 304 G CA 0.757 45.181 45.100 -1.127 0.000 0.688 304 G HN 2.487 nan 8.290 nan 0.000 0.500 305 G N -0.363 107.887 108.800 -0.917 0.000 2.268 305 G HA2 -0.099 3.860 3.960 -0.001 0.000 0.240 305 G HA3 -0.099 3.860 3.960 -0.001 0.000 0.240 305 G C 2.000 176.745 174.900 -0.258 0.000 1.010 305 G CA 1.750 46.522 45.100 -0.547 0.000 0.618 305 G HN 2.250 nan 8.290 nan 0.000 0.516 306 S N 0.531 116.114 115.700 -0.194 0.000 2.440 306 S HA -0.093 4.377 4.470 -0.001 0.000 0.238 306 S C 2.135 176.755 174.600 0.034 0.000 1.010 306 S CA 2.422 60.595 58.200 -0.046 0.000 0.972 306 S CB -0.777 62.441 63.200 0.031 0.000 0.774 306 S HN 1.740 nan 8.310 nan 0.000 0.501 307 T N -3.195 111.367 114.554 0.012 0.000 3.188 307 T HA 0.539 4.888 4.350 -0.001 0.000 0.250 307 T C 1.465 176.258 174.700 0.155 0.000 1.077 307 T CA 0.566 62.722 62.100 0.093 0.000 0.967 307 T CB -0.224 68.694 68.868 0.083 0.000 1.006 307 T HN 1.208 nan 8.240 nan 0.000 0.552 308 G N 1.020 109.847 108.800 0.045 0.000 2.194 308 G HA2 -0.179 3.780 3.960 -0.001 0.000 0.236 308 G HA3 -0.179 3.780 3.960 -0.001 0.000 0.236 308 G C -0.092 174.769 174.900 -0.065 0.000 0.987 308 G CA -0.019 45.103 45.100 0.038 0.000 0.635 308 G HN 0.670 nan 8.290 nan 0.000 0.520 309 K N -0.971 119.325 120.400 -0.172 0.000 2.469 309 K HA 0.536 4.856 4.320 -0.001 0.000 0.254 309 K C 0.346 176.763 176.600 -0.305 0.000 0.939 309 K CA -0.963 55.156 56.287 -0.281 0.000 0.812 309 K CB 1.924 34.113 32.500 -0.519 0.000 1.301 309 K HN -0.045 nan 8.250 nan 0.000 0.433 310 F N 0.995 120.685 119.950 -0.434 0.000 2.063 310 F HA -0.166 4.361 4.527 -0.001 0.000 0.298 310 F C 0.133 175.428 175.800 -0.841 0.000 1.109 310 F CA 1.784 59.382 58.000 -0.671 0.000 1.212 310 F CB 0.194 38.709 39.000 -0.808 0.000 0.973 310 F HN 0.471 nan 8.300 nan 0.000 0.480 311 W N -1.257 119.943 121.300 -0.167 0.000 2.478 311 W HA 0.534 5.194 4.660 -0.001 0.000 0.318 311 W C 0.952 177.149 176.519 -0.536 0.000 1.062 311 W CA -0.510 56.635 57.345 -0.334 0.000 1.210 311 W CB 1.003 30.224 29.460 -0.398 0.000 1.325 311 W HN -0.041 nan 8.180 nan 0.000 0.496 312 A N 2.202 124.916 122.820 -0.177 0.000 1.917 312 A HA -0.308 4.011 4.320 -0.001 0.000 0.219 312 A C 1.978 179.261 177.584 -0.500 0.000 1.182 312 A CA 2.213 54.115 52.037 -0.226 0.000 0.633 312 A CB -1.253 17.620 19.000 -0.213 0.000 0.819 312 A HN 0.867 nan 8.150 nan 0.000 0.448 313 H N -0.889 117.747 119.070 -0.723 0.000 2.457 313 H HA -0.087 4.469 4.556 -0.001 0.000 0.297 313 H C 1.503 176.267 175.328 -0.939 0.000 1.092 313 H CA 1.354 56.417 56.048 -1.641 0.000 1.309 313 H CB -0.576 28.244 29.762 -1.570 0.000 1.382 313 H HN 0.643 nan 8.280 nan 0.000 0.535 314 E N 0.689 120.300 120.200 -0.982 0.000 2.187 314 E HA -0.213 4.136 4.350 -0.001 0.000 0.199 314 E C 2.010 178.455 176.600 -0.258 0.000 1.004 314 E CA 1.066 57.163 56.400 -0.504 0.000 0.813 314 E CB -0.189 29.222 29.700 -0.482 0.000 0.736 314 E HN 0.711 nan 8.360 nan 0.000 0.468 315 H N -0.966 117.975 119.070 -0.215 0.000 2.456 315 H HA -0.140 4.415 4.556 -0.001 0.000 0.296 315 H C 1.575 177.015 175.328 0.187 0.000 1.079 315 H CA 1.031 57.075 56.048 -0.007 0.000 1.322 315 H CB -0.111 29.671 29.762 0.032 0.000 1.388 315 H HN 0.397 nan 8.280 nan 0.000 0.538 316 W N 0.453 121.867 121.300 0.190 0.000 2.611 316 W HA 0.087 4.746 4.660 -0.001 0.000 0.251 316 W C 1.673 178.272 176.519 0.134 0.000 1.265 316 W CA 1.004 58.455 57.345 0.178 0.000 1.295 316 W CB -0.920 28.658 29.460 0.197 0.000 1.129 316 W HN 0.320 nan 8.180 nan 0.000 0.630 317 G N 0.650 109.625 108.800 0.291 0.000 2.203 317 G HA2 -0.310 3.649 3.960 -0.001 0.000 0.263 317 G HA3 -0.310 3.649 3.960 -0.001 0.000 0.263 317 G C 0.048 175.055 174.900 0.178 0.000 1.012 317 G CA 0.148 45.359 45.100 0.185 0.000 0.749 317 G HN 0.211 nan 8.290 nan 0.000 0.512 318 L N -0.346 121.018 121.223 0.234 0.000 2.343 318 L HA 0.427 4.766 4.340 -0.001 0.000 0.275 318 L C 0.953 177.908 176.870 0.143 0.000 1.056 318 L CA -1.028 53.926 54.840 0.190 0.000 0.804 318 L CB 0.941 43.145 42.059 0.242 0.000 1.203 318 L HN -0.103 nan 8.230 nan 0.000 0.440 319 D N 0.353 120.813 120.400 0.100 0.000 2.277 319 D HA -0.072 4.568 4.640 -0.001 0.000 0.208 319 D C 0.231 176.572 176.300 0.068 0.000 0.962 319 D CA 1.219 55.262 54.000 0.071 0.000 0.865 319 D CB 0.239 41.071 40.800 0.052 0.000 0.939 319 D HN 0.477 nan 8.370 nan 0.000 0.510 320 D N -0.290 120.161 120.400 0.085 0.000 2.513 320 D HA 0.104 4.743 4.640 -0.001 0.000 0.295 320 D C -1.930 174.443 176.300 0.122 0.000 1.202 320 D CA -1.661 52.385 54.000 0.078 0.000 0.849 320 D CB 1.299 42.138 40.800 0.064 0.000 1.116 320 D HN -0.105 nan 8.370 nan 0.000 0.502 321 P HA 0.162 nan 4.420 nan 0.000 0.225 321 P C 0.001 177.513 177.300 0.354 0.000 1.156 321 P CA 0.485 63.757 63.100 0.286 0.000 0.787 321 P CB 0.601 32.401 31.700 0.166 0.000 0.802 322 A N -0.902 122.017 122.820 0.164 0.000 2.544 322 A HA 0.377 4.697 4.320 -0.001 0.000 0.291 322 A C -0.368 177.204 177.584 -0.020 0.000 1.055 322 A CA -0.458 51.683 52.037 0.174 0.000 0.651 322 A CB -0.125 18.852 19.000 -0.038 0.000 1.296 322 A HN -0.207 nan 8.150 nan 0.000 0.431 323 D N -0.861 119.461 120.400 -0.131 0.000 2.394 323 D HA 0.273 4.913 4.640 -0.001 0.000 0.226 323 D C 0.151 176.148 176.300 -0.504 0.000 0.990 323 D CA 1.374 55.150 54.000 -0.373 0.000 0.902 323 D CB 0.832 41.231 40.800 -0.667 0.000 1.038 323 D HN 0.321 nan 8.370 nan 0.000 0.499 324 V N 1.394 121.042 119.914 -0.444 0.000 2.760 324 V HA 0.423 4.543 4.120 -0.001 0.000 0.309 324 V C -0.634 175.307 176.094 -0.255 0.000 1.077 324 V CA -0.702 61.405 62.300 -0.322 0.000 0.910 324 V CB 2.975 34.510 31.823 -0.480 0.000 1.008 324 V HN -0.013 nan 8.190 nan 0.000 0.424 325 M N 4.264 123.797 119.600 -0.112 0.000 2.213 325 M HA 0.529 5.008 4.480 -0.001 0.000 0.286 325 M C -0.444 175.865 176.300 0.016 0.000 1.008 325 M CA -0.214 55.002 55.300 -0.139 0.000 0.937 325 M CB 2.096 34.528 32.600 -0.281 0.000 1.600 325 M HN 0.951 nan 8.290 nan 0.000 0.450 326 T N 1.779 116.300 114.554 -0.055 0.000 2.907 326 T HA 0.810 5.160 4.350 -0.001 0.000 0.284 326 T C -0.579 174.153 174.700 0.054 0.000 1.004 326 T CA -0.518 61.539 62.100 -0.072 0.000 1.063 326 T CB 1.189 69.957 68.868 -0.165 0.000 0.992 326 T HN 0.541 nan 8.240 nan 0.000 0.483 327 F N -1.188 118.819 119.950 0.096 0.000 2.685 327 F HA 0.917 5.443 4.527 -0.001 0.000 0.315 327 F C -0.260 175.628 175.800 0.146 0.000 1.126 327 F CA -1.079 57.029 58.000 0.180 0.000 0.950 327 F CB 1.401 40.611 39.000 0.350 0.000 1.360 327 F HN 0.912 nan 8.300 nan 0.000 0.469 328 S N -0.443 115.537 115.700 0.467 0.000 2.928 328 S HA 0.436 4.905 4.470 -0.001 0.000 0.297 328 S C -0.539 174.198 174.600 0.228 0.000 1.251 328 S CA -0.008 58.371 58.200 0.299 0.000 1.189 328 S CB 0.069 63.330 63.200 0.102 0.000 1.392 328 S HN 1.062 nan 8.310 nan 0.000 0.485 329 K N 0.210 120.679 120.400 0.114 0.000 4.777 329 K HA -0.309 4.011 4.320 -0.001 0.000 0.247 329 K C 1.169 177.783 176.600 0.023 0.000 0.718 329 K CA 1.721 58.033 56.287 0.041 0.000 0.778 329 K CB -1.537 30.977 32.500 0.024 0.000 0.780 329 K HN 0.507 nan 8.250 nan 0.000 0.811 330 K N 0.555 120.955 120.400 -0.000 0.000 2.160 330 K HA -0.029 4.290 4.320 -0.001 0.000 0.206 330 K C 1.880 178.466 176.600 -0.023 0.000 1.047 330 K CA 2.069 58.324 56.287 -0.053 0.000 0.930 330 K CB -0.008 32.422 32.500 -0.116 0.000 0.720 330 K HN 0.253 nan 8.250 nan 0.000 0.450 331 M N 0.101 119.737 119.600 0.060 0.000 2.686 331 M HA 0.006 4.486 4.480 -0.001 0.000 0.246 331 M C 0.626 176.980 176.300 0.091 0.000 1.096 331 M CA 0.868 56.223 55.300 0.091 0.000 1.076 331 M CB -0.432 32.280 32.600 0.187 0.000 1.504 331 M HN 0.227 nan 8.290 nan 0.000 0.524 332 M N -2.642 116.999 119.600 0.067 0.000 2.836 332 M HA -0.228 4.251 4.480 -0.001 0.000 0.158 332 M C 0.790 177.132 176.300 0.070 0.000 0.682 332 M CA 2.034 57.360 55.300 0.043 0.000 0.605 332 M CB -2.271 30.341 32.600 0.021 0.000 2.208 332 M HN 0.408 nan 8.290 nan 0.000 0.264 333 T N 0.787 115.418 114.554 0.128 0.000 2.950 333 T HA 0.709 5.058 4.350 -0.001 0.000 0.288 333 T C 0.441 175.298 174.700 0.261 0.000 1.035 333 T CA 0.192 62.382 62.100 0.150 0.000 1.028 333 T CB 2.019 70.973 68.868 0.144 0.000 1.109 333 T HN 0.510 nan 8.240 nan 0.000 0.514 334 G N -0.217 108.661 108.800 0.130 0.000 2.537 334 G HA2 0.733 4.693 3.960 -0.001 0.000 0.297 334 G HA3 0.733 4.693 3.960 -0.001 0.000 0.297 334 G C 0.212 174.932 174.900 -0.301 0.000 1.310 334 G CA -0.172 44.903 45.100 -0.042 0.000 1.027 334 G HN 1.372 nan 8.290 nan 0.000 0.505 335 G N -2.104 106.206 108.800 -0.816 0.000 2.357 335 G HA2 0.535 4.495 3.960 -0.001 0.000 0.289 335 G HA3 0.535 4.495 3.960 -0.001 0.000 0.289 335 G C -1.237 173.065 174.900 -0.997 0.000 1.302 335 G CA -0.215 44.394 45.100 -0.819 0.000 0.936 335 G HN 1.784 nan 8.290 nan 0.000 0.513 336 F N -1.921 117.678 119.950 -0.585 0.000 2.615 336 F HA 0.801 5.328 4.527 -0.001 0.000 0.312 336 F C -0.933 174.835 175.800 -0.054 0.000 1.119 336 F CA -1.818 56.004 58.000 -0.296 0.000 0.979 336 F CB 0.791 39.645 39.000 -0.243 0.000 1.266 336 F HN 0.462 nan 8.300 nan 0.000 0.444 337 F N 2.049 122.119 119.950 0.200 0.000 2.403 337 F HA 0.640 5.166 4.527 -0.001 0.000 0.320 337 F C 0.529 176.442 175.800 0.188 0.000 1.176 337 F CA 0.442 58.481 58.000 0.066 0.000 1.206 337 F CB 0.825 39.787 39.000 -0.063 0.000 1.235 337 F HN 0.865 nan 8.300 nan 0.000 0.565 338 H N -2.450 116.728 119.070 0.179 0.000 2.935 338 H HA 0.413 4.968 4.556 -0.001 0.000 0.297 338 H C -1.650 173.721 175.328 0.070 0.000 1.423 338 H CA -1.552 54.532 56.048 0.059 0.000 1.161 338 H CB 0.700 30.507 29.762 0.076 0.000 1.841 338 H HN 0.370 nan 8.280 nan 0.000 0.506 339 K N 0.016 120.512 120.400 0.161 0.000 2.258 339 K HA 0.233 4.553 4.320 -0.001 0.000 0.264 339 K C 1.421 178.164 176.600 0.238 0.000 1.007 339 K CA 0.516 56.908 56.287 0.174 0.000 0.941 339 K CB 0.780 33.424 32.500 0.240 0.000 0.966 339 K HN 0.822 nan 8.250 nan 0.000 0.480 340 E N 2.355 122.637 120.200 0.137 0.000 2.114 340 E HA -0.302 4.048 4.350 -0.001 0.000 0.199 340 E C 1.698 178.411 176.600 0.189 0.000 1.008 340 E CA 2.229 58.703 56.400 0.124 0.000 0.810 340 E CB -0.796 28.953 29.700 0.080 0.000 0.739 340 E HN 0.845 nan 8.360 nan 0.000 0.456 341 E N -1.508 118.815 120.200 0.204 0.000 2.333 341 E HA -0.095 4.255 4.350 -0.001 0.000 0.198 341 E C 1.464 178.135 176.600 0.119 0.000 1.007 341 E CA 0.999 57.496 56.400 0.162 0.000 0.845 341 E CB -0.318 29.474 29.700 0.155 0.000 0.766 341 E HN 0.588 nan 8.360 nan 0.000 0.507 342 F N 1.214 121.270 119.950 0.177 0.000 2.776 342 F HA 0.198 4.725 4.527 -0.001 0.000 0.300 342 F C 1.203 177.153 175.800 0.250 0.000 1.116 342 F CA -0.199 57.891 58.000 0.150 0.000 1.375 342 F CB 0.121 39.104 39.000 -0.029 0.000 1.109 342 F HN -0.147 nan 8.300 nan 0.000 0.585 343 R N 2.878 123.635 120.500 0.429 0.000 2.488 343 R HA -0.002 4.338 4.340 -0.001 0.000 0.317 343 R C -2.393 174.058 176.300 0.253 0.000 0.941 343 R CA -1.271 55.044 56.100 0.358 0.000 1.076 343 R CB -0.100 30.339 30.300 0.233 0.000 0.917 343 R HN -0.082 nan 8.270 nan 0.000 0.407 344 P HA -0.092 nan 4.420 nan 0.000 0.263 344 P C -0.088 177.306 177.300 0.156 0.000 1.175 344 P CA 0.165 63.383 63.100 0.196 0.000 0.761 344 P CB 0.475 32.285 31.700 0.183 0.000 0.794 345 N N 2.082 120.869 118.700 0.146 0.000 2.396 345 N HA -0.041 4.699 4.740 -0.001 0.000 0.180 345 N C 0.115 175.684 175.510 0.098 0.000 1.028 345 N CA 0.591 53.702 53.050 0.102 0.000 0.893 345 N CB 0.026 38.555 38.487 0.071 0.000 0.967 345 N HN 0.391 nan 8.380 nan 0.000 0.440 346 A N 0.274 123.172 122.820 0.129 0.000 2.606 346 A HA 0.625 4.944 4.320 -0.001 0.000 0.293 346 A C -2.819 174.831 177.584 0.110 0.000 1.082 346 A CA -1.236 50.875 52.037 0.124 0.000 0.685 346 A CB 1.436 20.537 19.000 0.167 0.000 1.284 346 A HN 0.078 nan 8.150 nan 0.000 0.408 347 P HA 0.355 nan 4.420 nan 0.000 0.277 347 P C -0.471 176.830 177.300 0.001 0.000 1.276 347 P CA 0.324 63.381 63.100 -0.072 0.000 0.788 347 P CB 0.054 31.604 31.700 -0.250 0.000 1.114 348 Y N -2.844 117.433 120.300 -0.039 0.000 4.604 348 Y HA -0.269 4.280 4.550 -0.001 0.000 0.230 348 Y C 1.800 177.689 175.900 -0.018 0.000 1.066 348 Y CA 0.734 58.725 58.100 -0.181 0.000 1.990 348 Y CB -1.826 36.481 38.460 -0.256 0.000 1.619 348 Y HN 0.363 nan 8.280 nan 0.000 0.649 349 R N -0.267 120.333 120.500 0.167 0.000 2.098 349 R HA 0.243 4.583 4.340 -0.001 0.000 0.203 349 R C 0.213 176.632 176.300 0.197 0.000 1.166 349 R CA 0.305 56.507 56.100 0.170 0.000 1.090 349 R CB 0.529 30.931 30.300 0.171 0.000 0.992 349 R HN -0.009 nan 8.270 nan 0.000 0.477 350 I N 1.917 122.612 120.570 0.208 0.000 2.306 350 I HA 0.305 4.474 4.170 -0.001 0.000 0.288 350 I C -0.754 175.525 176.117 0.271 0.000 1.036 350 I CA -0.186 61.245 61.300 0.218 0.000 1.221 350 I CB 0.329 38.454 38.000 0.208 0.000 1.385 350 I HN 0.051 nan 8.210 nan 0.000 0.472 351 F N 6.579 126.562 119.950 0.055 0.000 2.746 351 F HA 0.458 4.984 4.527 -0.001 0.000 0.311 351 F C -1.366 174.455 175.800 0.034 0.000 1.135 351 F CA -0.635 57.381 58.000 0.028 0.000 0.954 351 F CB 1.509 40.529 39.000 0.033 0.000 1.276 351 F HN 0.624 nan 8.300 nan 0.000 0.440 352 N N 0.133 118.598 118.700 -0.392 0.000 3.179 352 N HA 0.321 5.061 4.740 -0.001 0.000 0.250 352 N C -0.637 174.587 175.510 -0.475 0.000 1.507 352 N CA -0.152 52.783 53.050 -0.191 0.000 0.883 352 N CB 1.072 39.509 38.487 -0.083 0.000 1.435 352 N HN 0.339 nan 8.380 nan 0.000 0.532 353 T N -0.945 113.436 114.554 -0.288 0.000 2.614 353 T HA -0.072 4.277 4.350 -0.001 0.000 0.263 353 T C 0.379 174.878 174.700 -0.335 0.000 1.055 353 T CA 1.673 63.544 62.100 -0.382 0.000 1.162 353 T CB -0.275 68.181 68.868 -0.686 0.000 0.863 353 T HN 0.495 nan 8.240 nan 0.000 0.414 354 W N 0.387 121.598 121.300 -0.149 0.000 2.762 354 W HA 0.469 5.129 4.660 -0.001 0.000 0.265 354 W C 0.740 177.157 176.519 -0.169 0.000 1.263 354 W CA -0.557 56.707 57.345 -0.135 0.000 1.411 354 W CB -1.010 28.403 29.460 -0.078 0.000 1.065 354 W HN 0.147 nan 8.180 nan 0.000 0.609 355 L N 0.848 122.081 121.223 0.018 0.000 3.829 355 L HA -0.263 4.076 4.340 -0.001 0.000 0.440 355 L C 0.882 177.761 176.870 0.014 0.000 1.192 355 L CA 1.172 55.978 54.840 -0.056 0.000 0.848 355 L CB -1.708 40.239 42.059 -0.187 0.000 1.744 355 L HN 0.255 nan 8.230 nan 0.000 0.920 356 G N -0.977 107.862 108.800 0.065 0.000 2.337 356 G HA2 0.122 4.082 3.960 -0.001 0.000 0.197 356 G HA3 0.122 4.082 3.960 -0.001 0.000 0.197 356 G C -1.223 173.695 174.900 0.031 0.000 1.238 356 G CA -0.021 45.113 45.100 0.056 0.000 1.119 356 G HN 0.400 nan 8.290 nan 0.000 0.514 357 D N -0.524 119.885 120.400 0.015 0.000 2.301 357 D HA 0.443 5.082 4.640 -0.001 0.000 0.203 357 D C -1.961 174.319 176.300 -0.033 0.000 1.300 357 D CA -0.762 53.204 54.000 -0.056 0.000 0.899 357 D CB 1.567 42.297 40.800 -0.116 0.000 1.597 357 D HN 0.058 nan 8.370 nan 0.000 0.538 358 P HA -0.160 nan 4.420 nan 0.000 0.218 358 P C 1.482 178.704 177.300 -0.130 0.000 1.146 358 P CA 1.506 64.597 63.100 -0.015 0.000 0.813 358 P CB 0.240 31.933 31.700 -0.012 0.000 0.778 359 S N -0.618 114.956 115.700 -0.209 0.000 2.370 359 S HA -0.192 4.277 4.470 -0.001 0.000 0.226 359 S C 1.890 176.387 174.600 -0.172 0.000 1.033 359 S CA 1.172 59.161 58.200 -0.352 0.000 1.011 359 S CB -0.871 62.139 63.200 -0.317 0.000 0.852 359 S HN -0.021 nan 8.310 nan 0.000 0.457 360 K N 2.162 122.516 120.400 -0.077 0.000 2.057 360 K HA 0.111 4.431 4.320 -0.001 0.000 0.206 360 K C 1.931 178.514 176.600 -0.029 0.000 1.050 360 K CA 1.266 57.539 56.287 -0.024 0.000 0.935 360 K CB -1.165 31.335 32.500 0.000 0.000 0.715 360 K HN 0.437 nan 8.250 nan 0.000 0.439 361 N N 1.203 119.880 118.700 -0.038 0.000 2.166 361 N HA -0.149 4.590 4.740 -0.001 0.000 0.186 361 N C 1.682 177.151 175.510 -0.068 0.000 1.019 361 N CA 0.616 53.636 53.050 -0.049 0.000 0.856 361 N CB -0.426 38.028 38.487 -0.056 0.000 0.993 361 N HN 0.055 nan 8.380 nan 0.000 0.426 362 L N 0.963 122.130 121.223 -0.093 0.000 1.989 362 L HA -0.083 4.256 4.340 -0.001 0.000 0.211 362 L C 1.906 178.746 176.870 -0.051 0.000 1.071 362 L CA 1.480 56.263 54.840 -0.096 0.000 0.749 362 L CB -0.652 41.301 42.059 -0.177 0.000 0.890 362 L HN 0.129 nan 8.230 nan 0.000 0.431 363 L N -1.375 119.831 121.223 -0.028 0.000 2.017 363 L HA -0.204 4.136 4.340 -0.001 0.000 0.208 363 L C 2.535 179.389 176.870 -0.027 0.000 1.073 363 L CA 1.189 56.031 54.840 0.002 0.000 0.745 363 L CB -0.847 41.233 42.059 0.034 0.000 0.894 363 L HN 0.372 nan 8.230 nan 0.000 0.432 364 L N 0.607 121.813 121.223 -0.029 0.000 2.012 364 L HA -0.195 4.144 4.340 -0.001 0.000 0.210 364 L C 2.671 179.512 176.870 -0.048 0.000 1.073 364 L CA 2.074 56.895 54.840 -0.032 0.000 0.748 364 L CB -0.748 41.298 42.059 -0.021 0.000 0.891 364 L HN 0.159 nan 8.230 nan 0.000 0.431 365 A N -0.819 121.967 122.820 -0.058 0.000 1.948 365 A HA -0.289 4.031 4.320 -0.001 0.000 0.220 365 A C 2.257 179.803 177.584 -0.063 0.000 1.177 365 A CA 1.977 53.974 52.037 -0.067 0.000 0.636 365 A CB -0.743 18.216 19.000 -0.069 0.000 0.815 365 A HN 0.618 nan 8.150 nan 0.000 0.449 366 E N -0.278 119.888 120.200 -0.058 0.000 2.072 366 E HA -0.072 4.278 4.350 -0.001 0.000 0.190 366 E C 1.823 178.366 176.600 -0.095 0.000 0.982 366 E CA 1.294 57.655 56.400 -0.065 0.000 0.803 366 E CB -0.441 29.227 29.700 -0.054 0.000 0.755 366 E HN 0.205 nan 8.360 nan 0.000 0.453 367 V N 1.350 121.203 119.914 -0.102 0.000 2.282 367 V HA -0.305 3.815 4.120 -0.001 0.000 0.249 367 V C 2.420 178.470 176.094 -0.074 0.000 1.057 367 V CA 1.914 64.142 62.300 -0.119 0.000 1.032 367 V CB -0.502 31.268 31.823 -0.088 0.000 0.645 367 V HN 0.380 nan 8.190 nan 0.000 0.447 368 I N 0.249 120.792 120.570 -0.045 0.000 2.208 368 I HA -0.292 3.878 4.170 -0.001 0.000 0.245 368 I C 2.485 178.572 176.117 -0.051 0.000 1.097 368 I CA 2.080 63.362 61.300 -0.031 0.000 1.363 368 I CB -1.015 36.934 38.000 -0.086 0.000 1.051 368 I HN 0.546 nan 8.210 nan 0.000 0.413 369 N N 1.469 120.132 118.700 -0.062 0.000 2.069 369 N HA -0.199 4.541 4.740 -0.001 0.000 0.191 369 N C 1.946 177.431 175.510 -0.041 0.000 1.031 369 N CA 1.307 54.325 53.050 -0.053 0.000 0.852 369 N CB 0.170 38.628 38.487 -0.048 0.000 1.018 369 N HN 0.130 nan 8.380 nan 0.000 0.423 370 I N 2.007 122.544 120.570 -0.056 0.000 2.163 370 I HA -0.262 3.907 4.170 -0.001 0.000 0.243 370 I C 2.433 178.540 176.117 -0.017 0.000 1.085 370 I CA 0.979 62.253 61.300 -0.042 0.000 1.347 370 I CB -1.119 36.807 38.000 -0.123 0.000 1.044 370 I HN 0.224 nan 8.210 nan 0.000 0.408 371 I N 0.412 120.969 120.570 -0.023 0.000 2.248 371 I HA -0.337 3.832 4.170 -0.001 0.000 0.248 371 I C 2.444 178.563 176.117 0.004 0.000 1.107 371 I CA 1.515 62.815 61.300 0.000 0.000 1.373 371 I CB -0.280 37.742 38.000 0.037 0.000 1.055 371 I HN 0.192 nan 8.210 nan 0.000 0.418 372 K N 0.485 120.879 120.400 -0.011 0.000 2.044 372 K HA -0.042 4.277 4.320 -0.001 0.000 0.204 372 K C 2.581 179.174 176.600 -0.012 0.000 1.045 372 K CA 1.518 57.793 56.287 -0.020 0.000 0.951 372 K CB -0.502 31.972 32.500 -0.044 0.000 0.738 372 K HN 0.161 nan 8.250 nan 0.000 0.443 373 R N 1.631 122.126 120.500 -0.009 0.000 2.091 373 R HA -0.100 4.240 4.340 -0.001 0.000 0.238 373 R C 1.736 178.043 176.300 0.012 0.000 1.136 373 R CA 1.925 58.025 56.100 0.000 0.000 0.959 373 R CB -1.091 29.211 30.300 0.004 0.000 0.856 373 R HN 0.186 nan 8.270 nan 0.000 0.437 374 E N -0.051 120.161 120.200 0.020 0.000 2.465 374 E HA 0.040 4.390 4.350 -0.001 0.000 0.191 374 E C -0.375 176.243 176.600 0.029 0.000 1.053 374 E CA 0.363 56.782 56.400 0.033 0.000 0.869 374 E CB 0.029 29.761 29.700 0.053 0.000 0.977 374 E HN 0.600 nan 8.360 nan 0.000 0.483 375 D N 0.212 120.623 120.400 0.017 0.000 2.723 375 D HA -0.205 4.435 4.640 -0.001 0.000 0.236 375 D C 0.645 176.958 176.300 0.022 0.000 1.138 375 D CA 0.229 54.237 54.000 0.015 0.000 0.676 375 D CB -1.232 39.578 40.800 0.016 0.000 1.069 375 D HN 0.235 nan 8.370 nan 0.000 0.430 376 L N -0.397 120.836 121.223 0.018 0.000 2.217 376 L HA -0.095 4.245 4.340 -0.001 0.000 0.211 376 L C 2.498 179.369 176.870 0.003 0.000 1.107 376 L CA 0.519 55.369 54.840 0.017 0.000 0.783 376 L CB -0.318 41.744 42.059 0.004 0.000 0.919 376 L HN 0.345 nan 8.230 nan 0.000 0.442 377 L N -1.013 120.204 121.223 -0.009 0.000 2.017 377 L HA -0.194 4.145 4.340 -0.001 0.000 0.208 377 L C 2.731 179.605 176.870 0.007 0.000 1.073 377 L CA 1.157 55.981 54.840 -0.026 0.000 0.745 377 L CB -0.595 41.443 42.059 -0.034 0.000 0.894 377 L HN 0.173 nan 8.230 nan 0.000 0.432 378 S N -0.011 115.702 115.700 0.021 0.000 2.368 378 S HA -0.203 4.267 4.470 -0.001 0.000 0.225 378 S C 1.737 176.389 174.600 0.086 0.000 1.030 378 S CA 1.778 60.006 58.200 0.046 0.000 0.999 378 S CB -0.394 62.827 63.200 0.035 0.000 0.844 378 S HN 0.443 nan 8.310 nan 0.000 0.459 379 N N 1.718 120.467 118.700 0.082 0.000 2.104 379 N HA -0.111 4.628 4.740 -0.001 0.000 0.190 379 N C 1.616 177.193 175.510 0.112 0.000 1.024 379 N CA 1.577 54.698 53.050 0.117 0.000 0.853 379 N CB -0.443 38.099 38.487 0.090 0.000 1.008 379 N HN 0.328 nan 8.380 nan 0.000 0.424 380 A N 0.417 123.284 122.820 0.079 0.000 1.865 380 A HA -0.035 4.284 4.320 -0.001 0.000 0.217 380 A C 2.412 180.043 177.584 0.078 0.000 1.191 380 A CA 2.145 54.225 52.037 0.073 0.000 0.623 380 A CB -1.499 17.517 19.000 0.026 0.000 0.826 380 A HN 0.482 nan 8.150 nan 0.000 0.444 381 A N -0.797 122.074 122.820 0.084 0.000 1.892 381 A HA -0.248 4.071 4.320 -0.001 0.000 0.218 381 A C 2.105 179.757 177.584 0.113 0.000 1.188 381 A CA 2.457 54.553 52.037 0.099 0.000 0.631 381 A CB -0.951 18.113 19.000 0.106 0.000 0.822 381 A HN 0.824 nan 8.150 nan 0.000 0.447 382 H N -0.082 119.015 119.070 0.046 0.000 2.299 382 H HA 0.128 4.684 4.556 -0.001 0.000 0.302 382 H C 2.139 177.488 175.328 0.034 0.000 1.078 382 H CA 2.044 58.114 56.048 0.036 0.000 1.323 382 H CB -0.618 29.159 29.762 0.026 0.000 1.381 382 H HN 0.338 nan 8.280 nan 0.000 0.498 383 A N 0.207 122.843 122.820 -0.306 0.000 2.019 383 A HA -0.033 4.286 4.320 -0.001 0.000 0.219 383 A C 2.663 180.208 177.584 -0.065 0.000 1.164 383 A CA 1.456 53.316 52.037 -0.295 0.000 0.644 383 A CB -1.375 17.586 19.000 -0.066 0.000 0.805 383 A HN 0.639 nan 8.150 nan 0.000 0.449 384 G N -0.197 108.600 108.800 -0.004 0.000 2.433 384 G HA2 -0.234 3.725 3.960 -0.001 0.000 0.216 384 G HA3 -0.234 3.725 3.960 -0.001 0.000 0.216 384 G C 1.662 176.539 174.900 -0.038 0.000 1.186 384 G CA 1.075 46.173 45.100 -0.002 0.000 0.779 384 G HN 0.546 nan 8.290 nan 0.000 0.543 385 K N -0.156 120.227 120.400 -0.028 0.000 2.020 385 K HA -0.107 4.213 4.320 -0.001 0.000 0.212 385 K C 2.614 179.187 176.600 -0.044 0.000 1.050 385 K CA 1.436 57.717 56.287 -0.009 0.000 0.929 385 K CB -0.503 32.028 32.500 0.052 0.000 0.714 385 K HN 0.191 nan 8.250 nan 0.000 0.443 386 V N 1.627 121.461 119.914 -0.133 0.000 2.282 386 V HA -0.273 3.846 4.120 -0.001 0.000 0.249 386 V C 2.237 178.261 176.094 -0.116 0.000 1.057 386 V CA 1.764 63.974 62.300 -0.150 0.000 1.032 386 V CB -0.455 31.164 31.823 -0.341 0.000 0.645 386 V HN 0.297 nan 8.190 nan 0.000 0.447 387 L N -0.312 120.845 121.223 -0.110 0.000 1.989 387 L HA -0.168 4.172 4.340 -0.001 0.000 0.211 387 L C 2.215 179.024 176.870 -0.101 0.000 1.071 387 L CA 2.111 56.897 54.840 -0.091 0.000 0.749 387 L CB -0.735 41.248 42.059 -0.125 0.000 0.890 387 L HN 0.299 nan 8.230 nan 0.000 0.431 388 L N -1.164 120.005 121.223 -0.090 0.000 2.131 388 L HA -0.155 4.184 4.340 -0.001 0.000 0.210 388 L C 2.256 179.119 176.870 -0.012 0.000 1.092 388 L CA 2.139 56.944 54.840 -0.058 0.000 0.759 388 L CB -0.762 41.279 42.059 -0.030 0.000 0.903 388 L HN 0.348 nan 8.230 nan 0.000 0.435 389 T N -0.824 113.731 114.554 0.002 0.000 2.701 389 T HA -0.086 4.263 4.350 -0.001 0.000 0.263 389 T C 1.677 176.402 174.700 0.042 0.000 1.040 389 T CA 1.250 63.369 62.100 0.031 0.000 1.147 389 T CB -0.738 68.158 68.868 0.046 0.000 0.865 389 T HN 0.579 nan 8.240 nan 0.000 0.426 390 G N 1.404 110.230 108.800 0.045 0.000 2.446 390 G HA2 -0.175 3.784 3.960 -0.001 0.000 0.217 390 G HA3 -0.175 3.784 3.960 -0.001 0.000 0.217 390 G C 1.524 176.456 174.900 0.053 0.000 1.168 390 G CA 0.676 45.816 45.100 0.068 0.000 0.771 390 G HN 0.436 nan 8.290 nan 0.000 0.551 391 L N -0.138 121.102 121.223 0.029 0.000 1.990 391 L HA -0.101 4.238 4.340 -0.001 0.000 0.213 391 L C 2.972 179.849 176.870 0.013 0.000 1.072 391 L CA 0.862 55.708 54.840 0.011 0.000 0.755 391 L CB -0.483 41.578 42.059 0.003 0.000 0.889 391 L HN 0.192 nan 8.230 nan 0.000 0.432 392 L N -0.343 120.897 121.223 0.027 0.000 2.042 392 L HA -0.282 4.058 4.340 -0.001 0.000 0.210 392 L C 2.288 179.187 176.870 0.048 0.000 1.076 392 L CA 1.631 56.495 54.840 0.040 0.000 0.749 392 L CB -0.600 41.486 42.059 0.046 0.000 0.893 392 L HN 0.368 nan 8.230 nan 0.000 0.432 393 D N 0.205 120.637 120.400 0.053 0.000 2.097 393 D HA -0.196 4.443 4.640 -0.001 0.000 0.195 393 D C 2.269 178.619 176.300 0.083 0.000 0.989 393 D CA 1.309 55.345 54.000 0.061 0.000 0.827 393 D CB -0.047 40.792 40.800 0.066 0.000 0.966 393 D HN 0.201 nan 8.370 nan 0.000 0.456 394 L N -0.029 121.254 121.223 0.100 0.000 2.079 394 L HA -0.186 4.153 4.340 -0.001 0.000 0.210 394 L C 2.757 179.735 176.870 0.181 0.000 1.081 394 L CA 1.338 56.282 54.840 0.174 0.000 0.752 394 L CB -0.670 41.456 42.059 0.112 0.000 0.896 394 L HN 0.265 nan 8.230 nan 0.000 0.433 395 Q N 0.074 119.921 119.800 0.079 0.000 2.135 395 Q HA -0.237 4.102 4.340 -0.001 0.000 0.204 395 Q C 2.273 178.318 176.000 0.074 0.000 0.981 395 Q CA 1.844 57.690 55.803 0.070 0.000 0.856 395 Q CB -0.034 28.730 28.738 0.045 0.000 0.902 395 Q HN 0.533 nan 8.270 nan 0.000 0.425 396 A N 0.607 123.460 122.820 0.056 0.000 1.873 396 A HA -0.149 4.170 4.320 -0.001 0.000 0.215 396 A C 2.012 179.583 177.584 -0.022 0.000 1.186 396 A CA 1.442 53.492 52.037 0.023 0.000 0.616 396 A CB -0.335 18.677 19.000 0.020 0.000 0.823 396 A HN 0.315 nan 8.150 nan 0.000 0.442 397 R N -2.445 118.036 120.500 -0.031 0.000 2.193 397 R HA 0.018 4.358 4.340 -0.001 0.000 0.213 397 R C -0.432 175.571 176.300 -0.494 0.000 1.055 397 R CA 0.869 56.823 56.100 -0.243 0.000 0.995 397 R CB -0.071 30.098 30.300 -0.217 0.000 0.893 397 R HN 0.618 nan 8.270 nan 0.000 0.459 398 Y N -0.846 119.472 120.300 0.030 0.000 2.512 398 Y HA 0.246 4.795 4.550 -0.001 0.000 0.326 398 Y C -1.874 174.027 175.900 0.002 0.000 1.008 398 Y CA -2.062 56.066 58.100 0.047 0.000 1.139 398 Y CB 1.376 39.948 38.460 0.186 0.000 1.137 398 Y HN -0.032 nan 8.280 nan 0.000 0.630 399 P HA -0.227 nan 4.420 nan 0.000 0.222 399 P C 1.198 178.476 177.300 -0.037 0.000 1.147 399 P CA 1.388 64.501 63.100 0.022 0.000 0.790 399 P CB 0.410 32.106 31.700 -0.006 0.000 0.780 400 Q N -0.650 119.036 119.800 -0.190 0.000 2.364 400 Q HA -0.097 4.243 4.340 -0.001 0.000 0.207 400 Q C 1.383 177.117 176.000 -0.444 0.000 0.970 400 Q CA 1.391 56.953 55.803 -0.401 0.000 0.888 400 Q CB -0.970 27.374 28.738 -0.657 0.000 0.951 400 Q HN 0.347 nan 8.270 nan 0.000 0.469 401 F N -0.057 119.990 119.950 0.162 0.000 2.640 401 F HA 0.320 4.847 4.527 -0.001 0.000 0.285 401 F C 0.724 176.607 175.800 0.138 0.000 1.031 401 F CA -0.727 57.361 58.000 0.147 0.000 1.240 401 F CB 0.772 39.828 39.000 0.093 0.000 1.011 401 F HN -0.123 nan 8.300 nan 0.000 0.656 402 I N 1.439 122.172 120.570 0.271 0.000 2.404 402 I HA 0.407 4.576 4.170 -0.001 0.000 0.293 402 I C -0.026 176.179 176.117 0.148 0.000 0.992 402 I CA -0.687 60.712 61.300 0.164 0.000 1.149 402 I CB 0.966 38.960 38.000 -0.010 0.000 1.315 402 I HN 0.045 nan 8.210 nan 0.000 0.446 403 S N 4.986 120.797 115.700 0.185 0.000 2.607 403 S HA 0.683 5.152 4.470 -0.001 0.000 0.273 403 S C -0.246 174.415 174.600 0.102 0.000 1.148 403 S CA -0.949 57.329 58.200 0.130 0.000 0.833 403 S CB 2.306 65.577 63.200 0.119 0.000 1.130 403 S HN 0.650 nan 8.310 nan 0.000 0.470 404 R N -0.269 120.245 120.500 0.022 0.000 3.531 404 R HA -0.106 4.234 4.340 -0.001 0.000 0.280 404 R C -0.558 175.541 176.300 -0.334 0.000 1.130 404 R CA 0.553 56.520 56.100 -0.222 0.000 0.757 404 R CB -2.517 27.666 30.300 -0.195 0.000 1.218 404 R HN 0.574 nan 8.270 nan 0.000 0.454 405 V N 1.945 121.792 119.914 -0.112 0.000 2.557 405 V HA 0.024 4.144 4.120 -0.001 0.000 0.301 405 V C 1.139 177.125 176.094 -0.181 0.000 1.026 405 V CA 0.917 63.196 62.300 -0.036 0.000 1.137 405 V CB 0.317 32.159 31.823 0.031 0.000 0.917 405 V HN 0.386 nan 8.190 nan 0.000 0.484 406 R N 3.578 123.989 120.500 -0.149 0.000 2.752 406 R HA 0.885 5.225 4.340 -0.001 0.000 0.271 406 R C -0.330 175.902 176.300 -0.113 0.000 1.026 406 R CA -0.467 55.507 56.100 -0.211 0.000 0.901 406 R CB 2.197 32.225 30.300 -0.453 0.000 1.243 406 R HN 1.009 nan 8.270 nan 0.000 0.463 407 G N 0.323 109.024 108.800 -0.165 0.000 2.336 407 G HA2 0.314 4.273 3.960 -0.001 0.000 0.300 407 G HA3 0.314 4.273 3.960 -0.001 0.000 0.300 407 G C -1.947 173.024 174.900 0.117 0.000 1.375 407 G CA -0.999 44.139 45.100 0.063 0.000 0.885 407 G HN 0.626 nan 8.290 nan 0.000 0.599 408 R N -0.202 120.435 120.500 0.228 0.000 2.548 408 R HA 0.580 4.920 4.340 -0.001 0.000 0.280 408 R C 0.794 177.172 176.300 0.130 0.000 1.061 408 R CA 0.816 56.988 56.100 0.120 0.000 0.915 408 R CB 1.495 31.828 30.300 0.054 0.000 1.210 408 R HN 2.557 nan 8.270 nan 0.000 0.442 409 G N 1.331 110.185 108.800 0.090 0.000 2.566 409 G HA2 -0.413 3.546 3.960 -0.001 0.000 0.280 409 G HA3 -0.413 3.546 3.960 -0.001 0.000 0.280 409 G C 0.650 175.589 174.900 0.064 0.000 1.225 409 G CA 0.511 45.665 45.100 0.089 0.000 0.966 409 G HN 0.764 nan 8.290 nan 0.000 0.560 410 T N -2.336 112.243 114.554 0.042 0.000 3.129 410 T HA 0.352 4.701 4.350 -0.001 0.000 0.251 410 T C 1.159 175.835 174.700 -0.041 0.000 1.117 410 T CA 1.024 63.085 62.100 -0.066 0.000 1.034 410 T CB -0.029 68.731 68.868 -0.180 0.000 0.968 410 T HN 0.669 nan 8.240 nan 0.000 0.526 411 F N 2.798 122.719 119.950 -0.049 0.000 2.662 411 F HA 0.363 4.889 4.527 -0.001 0.000 0.365 411 F C 0.153 175.992 175.800 0.066 0.000 1.222 411 F CA -0.996 57.005 58.000 0.002 0.000 1.315 411 F CB -0.914 38.098 39.000 0.019 0.000 1.711 411 F HN 0.266 nan 8.300 nan 0.000 0.651 412 C N 0.779 120.110 119.300 0.052 0.000 2.423 412 C HA 0.893 5.352 4.460 -0.001 0.000 0.378 412 C C 0.033 175.122 174.990 0.166 0.000 1.244 412 C CA -0.405 58.658 59.018 0.075 0.000 1.978 412 C CB 1.399 29.052 27.740 -0.145 0.000 2.252 412 C HN 0.717 nan 8.230 nan 0.000 0.526 413 S N -0.020 115.780 115.700 0.167 0.000 2.633 413 S HA 0.783 5.253 4.470 -0.001 0.000 0.271 413 S C -1.217 173.465 174.600 0.137 0.000 1.112 413 S CA -0.765 57.492 58.200 0.096 0.000 0.828 413 S CB 0.755 63.947 63.200 -0.013 0.000 1.086 413 S HN 1.290 nan 8.310 nan 0.000 0.461 414 F N -0.807 119.171 119.950 0.046 0.000 2.685 414 F HA 0.907 5.433 4.527 -0.001 0.000 0.315 414 F C -1.498 174.308 175.800 0.009 0.000 1.126 414 F CA -0.942 57.063 58.000 0.009 0.000 0.950 414 F CB 0.429 39.466 39.000 0.061 0.000 1.360 414 F HN 0.478 nan 8.300 nan 0.000 0.469 415 D N 0.422 120.971 120.400 0.248 0.000 2.198 415 D HA 0.564 5.203 4.640 -0.001 0.000 0.247 415 D C -0.354 176.121 176.300 0.291 0.000 1.010 415 D CA -0.146 53.947 54.000 0.155 0.000 0.880 415 D CB 2.073 42.932 40.800 0.098 0.000 1.209 415 D HN 0.852 nan 8.370 nan 0.000 0.451 416 T N -2.033 112.646 114.554 0.208 0.000 2.940 416 T HA 0.520 4.870 4.350 -0.001 0.000 0.288 416 T C -2.118 172.689 174.700 0.178 0.000 1.045 416 T CA -1.985 60.262 62.100 0.246 0.000 1.018 416 T CB 1.958 70.966 68.868 0.234 0.000 1.151 416 T HN -0.073 nan 8.240 nan 0.000 0.529 417 P HA 0.061 nan 4.420 nan 0.000 0.216 417 P C -0.137 177.233 177.300 0.117 0.000 1.153 417 P CA 1.330 64.519 63.100 0.149 0.000 0.848 417 P CB -0.053 31.749 31.700 0.169 0.000 0.787 418 D N -3.592 116.882 120.400 0.124 0.000 2.626 418 D HA 0.089 4.728 4.640 -0.001 0.000 0.278 418 D C 0.613 176.958 176.300 0.075 0.000 1.211 418 D CA -0.870 53.183 54.000 0.088 0.000 0.903 418 D CB 0.058 40.906 40.800 0.080 0.000 1.408 418 D HN -0.134 nan 8.370 nan 0.000 0.454 419 E N -0.350 119.879 120.200 0.048 0.000 2.204 419 E HA -0.211 4.139 4.350 -0.001 0.000 0.195 419 E C 1.409 178.029 176.600 0.033 0.000 0.990 419 E CA 1.584 58.000 56.400 0.027 0.000 0.821 419 E CB 0.098 29.807 29.700 0.015 0.000 0.750 419 E HN 0.451 nan 8.360 nan 0.000 0.477 420 S N 0.240 115.972 115.700 0.053 0.000 2.345 420 S HA -0.127 4.342 4.470 -0.001 0.000 0.219 420 S C 2.036 176.692 174.600 0.093 0.000 1.031 420 S CA 0.887 59.123 58.200 0.060 0.000 0.984 420 S CB -0.516 62.720 63.200 0.060 0.000 0.874 420 S HN 0.303 nan 8.310 nan 0.000 0.451 421 I N 1.847 122.502 120.570 0.142 0.000 2.208 421 I HA -0.160 4.010 4.170 -0.001 0.000 0.245 421 I C 3.153 179.329 176.117 0.099 0.000 1.097 421 I CA 1.363 62.791 61.300 0.212 0.000 1.363 421 I CB -0.408 37.769 38.000 0.296 0.000 1.051 421 I HN 0.278 nan 8.210 nan 0.000 0.413 422 R N 1.275 121.817 120.500 0.070 0.000 2.096 422 R HA -0.208 4.132 4.340 -0.001 0.000 0.240 422 R C 1.901 178.184 176.300 -0.028 0.000 1.139 422 R CA 2.033 58.140 56.100 0.012 0.000 0.952 422 R CB -0.689 29.602 30.300 -0.016 0.000 0.854 422 R HN 0.377 nan 8.270 nan 0.000 0.436 423 N N 0.385 119.075 118.700 -0.017 0.000 2.244 423 N HA -0.119 4.621 4.740 -0.001 0.000 0.183 423 N C 1.768 177.265 175.510 -0.022 0.000 1.016 423 N CA 0.948 53.975 53.050 -0.039 0.000 0.866 423 N CB -0.256 38.215 38.487 -0.027 0.000 0.980 423 N HN 0.064 nan 8.380 nan 0.000 0.430 424 K N 0.864 121.279 120.400 0.025 0.000 2.057 424 K HA 0.128 4.448 4.320 -0.001 0.000 0.206 424 K C 2.261 178.849 176.600 -0.020 0.000 1.050 424 K CA 0.385 56.705 56.287 0.054 0.000 0.935 424 K CB -0.645 31.972 32.500 0.196 0.000 0.715 424 K HN 0.220 nan 8.250 nan 0.000 0.439 425 L N 0.075 121.235 121.223 -0.105 0.000 2.046 425 L HA -0.100 4.239 4.340 -0.001 0.000 0.208 425 L C 2.447 179.320 176.870 0.005 0.000 1.077 425 L CA 1.541 56.289 54.840 -0.153 0.000 0.747 425 L CB -0.489 41.512 42.059 -0.096 0.000 0.896 425 L HN 0.243 nan 8.230 nan 0.000 0.432 426 I N -1.124 119.428 120.570 -0.030 0.000 2.226 426 I HA -0.297 3.873 4.170 -0.001 0.000 0.245 426 I C 2.833 178.919 176.117 -0.051 0.000 1.100 426 I CA 1.277 62.536 61.300 -0.069 0.000 1.374 426 I CB -0.316 37.589 38.000 -0.158 0.000 1.057 426 I HN 0.216 nan 8.210 nan 0.000 0.413 427 S N 1.085 116.755 115.700 -0.050 0.000 2.356 427 S HA -0.142 4.328 4.470 -0.001 0.000 0.223 427 S C 2.077 176.666 174.600 -0.019 0.000 1.032 427 S CA 1.168 59.345 58.200 -0.038 0.000 1.005 427 S CB -0.111 63.073 63.200 -0.026 0.000 0.867 427 S HN 0.229 nan 8.310 nan 0.000 0.449 428 I N 2.019 122.581 120.570 -0.012 0.000 2.163 428 I HA -0.167 4.002 4.170 -0.001 0.000 0.243 428 I C 2.834 178.956 176.117 0.010 0.000 1.085 428 I CA 1.567 62.860 61.300 -0.012 0.000 1.347 428 I CB -1.875 36.096 38.000 -0.049 0.000 1.044 428 I HN 0.364 nan 8.210 nan 0.000 0.408 429 A N 0.700 123.552 122.820 0.054 0.000 1.933 429 A HA -0.223 4.096 4.320 -0.001 0.000 0.218 429 A C 2.558 180.186 177.584 0.074 0.000 1.175 429 A CA 1.509 53.623 52.037 0.128 0.000 0.628 429 A CB -0.667 18.478 19.000 0.242 0.000 0.814 429 A HN 0.325 nan 8.150 nan 0.000 0.444 430 R N -0.152 120.363 120.500 0.025 0.000 2.073 430 R HA -0.147 4.192 4.340 -0.001 0.000 0.234 430 R C 1.469 177.747 176.300 -0.037 0.000 1.134 430 R CA 1.702 57.797 56.100 -0.009 0.000 0.952 430 R CB -0.367 29.917 30.300 -0.026 0.000 0.850 430 R HN 0.517 nan 8.270 nan 0.000 0.433 431 N N 0.690 119.369 118.700 -0.034 0.000 2.364 431 N HA -0.114 4.625 4.740 -0.001 0.000 0.183 431 N C 1.106 176.604 175.510 -0.019 0.000 1.022 431 N CA 0.873 53.899 53.050 -0.041 0.000 0.883 431 N CB 0.032 38.500 38.487 -0.032 0.000 0.965 431 N HN 0.128 nan 8.380 nan 0.000 0.438 432 K N -0.386 120.019 120.400 0.008 0.000 2.393 432 K HA 0.157 4.477 4.320 -0.001 0.000 0.193 432 K C 0.901 177.533 176.600 0.053 0.000 1.026 432 K CA 0.242 56.546 56.287 0.028 0.000 1.064 432 K CB 0.440 32.964 32.500 0.040 0.000 0.833 432 K HN 0.270 nan 8.250 nan 0.000 0.521 433 G N 0.465 109.296 108.800 0.050 0.000 2.148 433 G HA2 -0.170 3.789 3.960 -0.001 0.000 0.157 433 G HA3 -0.170 3.789 3.960 -0.001 0.000 0.157 433 G C -0.328 174.643 174.900 0.119 0.000 1.012 433 G CA -0.182 44.962 45.100 0.074 0.000 0.677 433 G HN 0.043 nan 8.290 nan 0.000 0.506 434 V N 1.566 121.553 119.914 0.121 0.000 2.588 434 V HA 0.700 4.820 4.120 -0.001 0.000 0.304 434 V C 0.289 176.426 176.094 0.071 0.000 1.042 434 V CA -0.640 61.744 62.300 0.140 0.000 0.877 434 V CB 1.845 33.834 31.823 0.276 0.000 0.996 434 V HN 0.319 nan 8.190 nan 0.000 0.425 435 M N 6.035 125.656 119.600 0.036 0.000 2.129 435 M HA 0.604 5.084 4.480 -0.001 0.000 0.348 435 M C -1.000 175.212 176.300 -0.147 0.000 1.116 435 M CA -0.137 55.167 55.300 0.006 0.000 1.022 435 M CB 1.149 33.825 32.600 0.126 0.000 1.599 435 M HN 0.408 nan 8.290 nan 0.000 0.449 436 L N 1.419 122.472 121.223 -0.282 0.000 2.303 436 L HA 0.952 5.292 4.340 -0.001 0.000 0.266 436 L C 0.421 176.861 176.870 -0.718 0.000 1.011 436 L CA -0.982 53.524 54.840 -0.558 0.000 0.818 436 L CB 1.989 43.671 42.059 -0.628 0.000 1.326 436 L HN 0.747 nan 8.230 nan 0.000 0.435 437 G N -0.823 107.419 108.800 -0.930 0.000 2.454 437 G HA2 0.669 4.629 3.960 -0.001 0.000 0.329 437 G HA3 0.669 4.629 3.960 -0.001 0.000 0.329 437 G C -0.849 173.629 174.900 -0.704 0.000 1.177 437 G CA -0.519 43.843 45.100 -1.230 0.000 0.951 437 G HN 0.752 nan 8.290 nan 0.000 0.485 438 G N -1.727 106.762 108.800 -0.519 0.000 2.489 438 G HA2 0.671 4.631 3.960 -0.001 0.000 0.327 438 G HA3 0.671 4.631 3.960 -0.001 0.000 0.327 438 G C -0.444 174.322 174.900 -0.224 0.000 1.189 438 G CA -0.147 44.750 45.100 -0.338 0.000 0.962 438 G HN 1.594 nan 8.290 nan 0.000 0.486 439 C N -1.547 117.648 119.300 -0.175 0.000 3.285 439 C HA 0.969 5.429 4.460 -0.001 0.000 0.325 439 C C 0.967 175.913 174.990 -0.074 0.000 1.304 439 C CA 0.078 59.033 59.018 -0.106 0.000 1.319 439 C CB 1.087 28.767 27.740 -0.100 0.000 1.640 439 C HN 2.590 nan 8.230 nan 0.000 0.477 440 G N 1.777 110.556 108.800 -0.034 0.000 2.601 440 G HA2 -0.163 3.797 3.960 -0.001 0.000 0.261 440 G HA3 -0.163 3.797 3.960 -0.001 0.000 0.261 440 G C 0.169 175.055 174.900 -0.023 0.000 1.289 440 G CA 0.835 45.926 45.100 -0.014 0.000 0.920 440 G HN 1.025 nan 8.290 nan 0.000 0.571 441 D N 0.762 121.156 120.400 -0.010 0.000 2.110 441 D HA -0.040 4.599 4.640 -0.001 0.000 0.202 441 D C 1.831 178.122 176.300 -0.015 0.000 0.975 441 D CA 1.697 55.691 54.000 -0.008 0.000 0.839 441 D CB -0.019 40.786 40.800 0.008 0.000 0.996 441 D HN 0.722 nan 8.370 nan 0.000 0.464 442 K N 0.260 120.653 120.400 -0.013 0.000 2.706 442 K HA 0.344 4.663 4.320 -0.001 0.000 0.203 442 K C -0.294 176.282 176.600 -0.040 0.000 1.102 442 K CA -0.332 55.951 56.287 -0.007 0.000 1.058 442 K CB 0.979 33.500 32.500 0.034 0.000 0.779 442 K HN -0.209 nan 8.250 nan 0.000 0.483 443 S N 1.358 117.001 115.700 -0.096 0.000 2.549 443 S HA 0.523 4.993 4.470 -0.001 0.000 0.297 443 S C -0.212 174.190 174.600 -0.329 0.000 1.115 443 S CA -0.722 57.366 58.200 -0.186 0.000 1.059 443 S CB 1.369 64.485 63.200 -0.140 0.000 1.046 443 S HN 0.217 nan 8.310 nan 0.000 0.506 444 I N 3.008 123.219 120.570 -0.599 0.000 2.460 444 I HA 0.520 4.690 4.170 -0.001 0.000 0.298 444 I C 0.255 175.908 176.117 -0.773 0.000 0.989 444 I CA -0.640 60.194 61.300 -0.776 0.000 1.173 444 I CB 1.257 38.629 38.000 -1.047 0.000 1.338 444 I HN 0.570 nan 8.210 nan 0.000 0.456 445 R N 5.026 125.103 120.500 -0.706 0.000 2.795 445 R HA 0.608 4.947 4.340 -0.001 0.000 0.275 445 R C -2.147 173.709 176.300 -0.739 0.000 0.981 445 R CA -0.574 55.214 56.100 -0.520 0.000 0.917 445 R CB 1.760 31.853 30.300 -0.345 0.000 1.202 445 R HN 0.269 nan 8.270 nan 0.000 0.469 446 F N 1.235 120.934 119.950 -0.420 0.000 2.482 446 F HA 0.548 5.074 4.527 -0.001 0.000 0.331 446 F C 0.370 175.893 175.800 -0.461 0.000 1.115 446 F CA -0.912 56.822 58.000 -0.444 0.000 0.955 446 F CB 1.923 40.636 39.000 -0.478 0.000 1.136 446 F HN 0.307 nan 8.300 nan 0.000 0.452 447 R N 2.639 122.998 120.500 -0.234 0.000 2.653 447 R HA 0.291 4.631 4.340 -0.001 0.000 0.269 447 R C -3.071 173.074 176.300 -0.259 0.000 1.603 447 R CA -1.783 54.148 56.100 -0.281 0.000 1.671 447 R CB 0.807 30.948 30.300 -0.266 0.000 1.300 447 R HN 0.282 nan 8.270 nan 0.000 0.668 448 P HA 0.034 nan 4.420 nan 0.000 0.275 448 P C 0.549 177.704 177.300 -0.242 0.000 1.228 448 P CA 0.013 62.880 63.100 -0.389 0.000 0.786 448 P CB 0.690 31.857 31.700 -0.888 0.000 0.927 449 T N -0.036 114.411 114.554 -0.178 0.000 2.748 449 T HA 0.095 4.445 4.350 -0.001 0.000 0.304 449 T C 1.237 175.897 174.700 -0.067 0.000 1.041 449 T CA -0.274 61.739 62.100 -0.144 0.000 1.033 449 T CB -0.172 68.595 68.868 -0.168 0.000 0.995 449 T HN 0.196 nan 8.240 nan 0.000 0.536 450 L N 1.545 122.729 121.223 -0.064 0.000 2.622 450 L HA 0.101 4.440 4.340 -0.001 0.000 0.233 450 L C 1.832 178.725 176.870 0.037 0.000 1.156 450 L CA 0.051 54.878 54.840 -0.021 0.000 0.866 450 L CB -0.466 41.555 42.059 -0.063 0.000 0.980 450 L HN 0.740 nan 8.230 nan 0.000 0.448 451 V N -4.096 115.844 119.914 0.044 0.000 3.252 451 V HA 0.153 4.272 4.120 -0.001 0.000 0.350 451 V C 0.134 176.272 176.094 0.073 0.000 1.329 451 V CA -0.504 61.838 62.300 0.070 0.000 1.258 451 V CB -0.984 30.884 31.823 0.075 0.000 1.208 451 V HN 0.160 nan 8.190 nan 0.000 0.462 452 F N 2.839 122.742 119.950 -0.079 0.000 2.350 452 F HA 0.644 5.171 4.527 -0.001 0.000 0.365 452 F C 0.650 176.457 175.800 0.012 0.000 1.122 452 F CA -0.843 57.100 58.000 -0.095 0.000 1.139 452 F CB 0.475 39.394 39.000 -0.136 0.000 1.220 452 F HN 0.069 nan 8.300 nan 0.000 0.499 453 R N 3.585 123.925 120.500 -0.267 0.000 2.608 453 R HA 0.166 4.505 4.340 -0.001 0.000 0.255 453 R C 0.792 176.632 176.300 -0.767 0.000 1.086 453 R CA -0.198 55.675 56.100 -0.377 0.000 1.125 453 R CB 0.610 30.770 30.300 -0.233 0.000 1.193 453 R HN 0.688 nan 8.270 nan 0.000 0.553 454 D N -0.112 119.990 120.400 -0.496 0.000 2.264 454 D HA -0.203 4.437 4.640 -0.001 0.000 0.208 454 D C 1.576 177.612 176.300 -0.440 0.000 0.966 454 D CA 1.436 55.126 54.000 -0.517 0.000 0.864 454 D CB -0.549 40.020 40.800 -0.385 0.000 0.933 454 D HN 0.716 nan 8.370 nan 0.000 0.499 455 H N -0.178 118.724 119.070 -0.280 0.000 2.456 455 H HA -0.076 4.479 4.556 -0.001 0.000 0.296 455 H C 1.010 176.182 175.328 -0.261 0.000 1.079 455 H CA 1.350 57.286 56.048 -0.187 0.000 1.322 455 H CB -0.637 29.003 29.762 -0.202 0.000 1.388 455 H HN 0.337 nan 8.280 nan 0.000 0.538 456 H N 0.942 119.659 119.070 -0.589 0.000 2.436 456 H HA 0.190 4.745 4.556 -0.001 0.000 0.294 456 H C 2.589 177.807 175.328 -0.184 0.000 1.048 456 H CA 1.035 56.869 56.048 -0.358 0.000 1.353 456 H CB 0.162 29.569 29.762 -0.592 0.000 1.414 456 H HN 0.521 nan 8.280 nan 0.000 0.536 457 A N 1.077 123.679 122.820 -0.362 0.000 1.908 457 A HA -0.237 4.083 4.320 -0.001 0.000 0.218 457 A C 1.709 179.313 177.584 0.034 0.000 1.181 457 A CA 1.764 53.803 52.037 0.004 0.000 0.627 457 A CB -0.499 18.382 19.000 -0.198 0.000 0.818 457 A HN 0.467 nan 8.150 nan 0.000 0.445 458 H N -0.867 118.244 119.070 0.068 0.000 2.389 458 H HA -0.016 4.539 4.556 -0.001 0.000 0.299 458 H C 2.111 177.507 175.328 0.114 0.000 1.081 458 H CA 1.338 57.433 56.048 0.079 0.000 1.345 458 H CB -0.505 29.284 29.762 0.046 0.000 1.393 458 H HN 0.451 nan 8.280 nan 0.000 0.520 459 L N 0.132 121.510 121.223 0.259 0.000 2.012 459 L HA -0.211 4.128 4.340 -0.001 0.000 0.210 459 L C 2.496 179.529 176.870 0.270 0.000 1.073 459 L CA 1.178 56.174 54.840 0.260 0.000 0.748 459 L CB -0.325 41.923 42.059 0.316 0.000 0.891 459 L HN 0.092 nan 8.230 nan 0.000 0.431 460 F N 0.279 120.350 119.950 0.203 0.000 2.031 460 F HA -0.256 4.271 4.527 -0.001 0.000 0.295 460 F C 2.113 178.033 175.800 0.200 0.000 1.133 460 F CA 1.807 59.929 58.000 0.202 0.000 1.188 460 F CB -0.680 38.452 39.000 0.220 0.000 0.974 460 F HN -0.078 nan 8.300 nan 0.000 0.473 461 L N 0.473 121.598 121.223 -0.162 0.000 2.051 461 L HA -0.330 4.009 4.340 -0.001 0.000 0.214 461 L C 2.285 179.070 176.870 -0.141 0.000 1.076 461 L CA 1.735 56.428 54.840 -0.245 0.000 0.758 461 L CB -1.021 41.072 42.059 0.056 0.000 0.890 461 L HN 0.257 nan 8.230 nan 0.000 0.433 462 N N 0.108 118.795 118.700 -0.022 0.000 2.142 462 N HA -0.113 4.627 4.740 -0.001 0.000 0.186 462 N C 1.856 177.349 175.510 -0.028 0.000 1.023 462 N CA 1.251 54.302 53.050 0.002 0.000 0.852 462 N CB -0.208 38.307 38.487 0.048 0.000 0.998 462 N HN 0.314 nan 8.380 nan 0.000 0.424 463 I N -0.637 119.918 120.570 -0.025 0.000 2.315 463 I HA -0.207 3.963 4.170 -0.001 0.000 0.248 463 I C 1.711 177.794 176.117 -0.057 0.000 1.117 463 I CA 0.770 62.065 61.300 -0.009 0.000 1.404 463 I CB -0.108 37.933 38.000 0.068 0.000 1.071 463 I HN 0.003 nan 8.210 nan 0.000 0.419 464 F N 0.814 120.551 119.950 -0.354 0.000 2.293 464 F HA -0.142 4.384 4.527 -0.001 0.000 0.297 464 F C 2.799 178.399 175.800 -0.333 0.000 1.089 464 F CA 1.233 58.990 58.000 -0.405 0.000 1.377 464 F CB -0.168 38.371 39.000 -0.768 0.000 1.051 464 F HN 0.003 nan 8.300 nan 0.000 0.511 465 S N -0.247 115.346 115.700 -0.179 0.000 2.383 465 S HA -0.185 4.284 4.470 -0.001 0.000 0.227 465 S C 1.847 176.342 174.600 -0.175 0.000 1.026 465 S CA 1.730 59.836 58.200 -0.156 0.000 0.981 465 S CB -0.538 62.651 63.200 -0.019 0.000 0.818 465 S HN 0.373 nan 8.310 nan 0.000 0.472 466 D N 1.380 121.698 120.400 -0.138 0.000 2.117 466 D HA -0.025 4.615 4.640 -0.001 0.000 0.197 466 D C 1.914 178.104 176.300 -0.184 0.000 0.987 466 D CA 1.256 55.190 54.000 -0.110 0.000 0.829 466 D CB -0.398 40.361 40.800 -0.069 0.000 0.961 466 D HN 0.486 nan 8.370 nan 0.000 0.460 467 I N 0.550 120.936 120.570 -0.306 0.000 2.226 467 I HA -0.229 3.941 4.170 -0.001 0.000 0.245 467 I C 2.387 178.215 176.117 -0.482 0.000 1.100 467 I CA 0.714 61.782 61.300 -0.386 0.000 1.374 467 I CB -0.074 37.605 38.000 -0.535 0.000 1.057 467 I HN -0.037 nan 8.210 nan 0.000 0.413 468 L N 0.227 121.017 121.223 -0.722 0.000 2.141 468 L HA -0.130 4.210 4.340 -0.001 0.000 0.209 468 L C 2.730 179.357 176.870 -0.405 0.000 1.094 468 L CA 0.963 55.283 54.840 -0.867 0.000 0.763 468 L CB -0.650 40.498 42.059 -1.519 0.000 0.908 468 L HN 0.222 nan 8.230 nan 0.000 0.437 469 A N -0.591 122.116 122.820 -0.188 0.000 2.070 469 A HA -0.203 4.117 4.320 -0.001 0.000 0.220 469 A C 1.329 178.974 177.584 0.103 0.000 1.159 469 A CA 1.926 54.043 52.037 0.132 0.000 0.656 469 A CB -0.303 18.762 19.000 0.108 0.000 0.800 469 A HN 0.362 nan 8.150 nan 0.000 0.453 470 D N -2.795 117.620 120.400 0.025 0.000 2.513 470 D HA 0.302 4.941 4.640 -0.001 0.000 0.222 470 D C -0.071 176.262 176.300 0.056 0.000 1.210 470 D CA -0.336 53.686 54.000 0.037 0.000 0.825 470 D CB 0.208 41.010 40.800 0.004 0.000 1.037 470 D HN 0.311 nan 8.370 nan 0.000 0.506 471 F N 0.000 119.859 119.950 -0.152 0.000 2.286 471 F HA 0.000 4.526 4.527 -0.001 0.000 0.279 471 F CA 0.000 57.864 58.000 -0.227 0.000 1.383 471 F CB 0.000 38.641 39.000 -0.599 0.000 1.145 471 F HN 0.000 nan 8.300 nan 0.000 0.574