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 2q3e_1_L DATA FIRST_RESID 1 DATA SEQUENCE MFEIKKICCI GAGYVGGPTC SVIAHMCPEI RVTVVDVNES RINAWNSPTL DATA SEQUENCE PIYEPGLKEV VESCRGKNLF FSTNIDDAIK EADLVFISVN TPTKTYGMGK DATA SEQUENCE GRAADLKYIE ACARRIVQNS NGYKIVTEKS TVPVRAAESI RRIFDANTKP DATA SEQUENCE NLNLQVLSNP EFLAEGTAIK DLKNPDRVLI GGDETPEGQR AVQALCAVYE DATA SEQUENCE HWVPREKILT TNTWSSELSK LAANAFLAQR ISSINSISAL CEATGADVEE DATA SEQUENCE VATAIGMDQR IGNKFLKASV GFGGSCFQKD VLNLVYLCEA LNLPEVARYW DATA SEQUENCE QQVIDMNDYQ RRRFASRIID SLFNTVTDKK IAILGFAFKK DTGDTRESSS DATA SEQUENCE IYISKYLMDE GAHLHIYDPK VPREQIVVDL SHXXXXXXDQ VSRLVTISKD DATA SEQUENCE PYEACDGAHA VVICTEWDMF KELDYERIHK KMLKPAFIFD GRRVLDGLHN DATA SEQUENCE ELQTIGFQIE TIGKKV 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.337 176.300 0.062 0.000 1.140 1 M CA 0.000 55.322 55.300 0.037 0.000 0.988 1 M CB 0.000 32.608 32.600 0.014 0.000 1.302 2 F N 2.058 121.975 119.950 -0.056 0.000 2.427 2 F HA 0.662 5.188 4.527 -0.001 0.000 0.352 2 F C 0.670 176.460 175.800 -0.017 0.000 1.100 2 F CA 0.005 57.967 58.000 -0.063 0.000 1.191 2 F CB 0.762 39.701 39.000 -0.102 0.000 1.128 2 F HN 0.824 nan 8.300 nan 0.000 0.533 3 E N 6.955 126.685 120.200 -0.783 0.000 2.113 3 E HA 0.296 4.646 4.350 -0.001 0.000 0.273 3 E C -0.753 175.352 176.600 -0.826 0.000 0.924 3 E CA -0.693 55.362 56.400 -0.575 0.000 0.764 3 E CB 0.768 30.275 29.700 -0.320 0.000 1.104 3 E HN 0.647 nan 8.360 nan 0.000 0.406 4 I N 4.294 124.621 120.570 -0.405 0.000 2.505 4 I HA -0.037 4.132 4.170 -0.001 0.000 0.287 4 I C 1.055 177.084 176.117 -0.146 0.000 1.104 4 I CA 0.231 61.418 61.300 -0.187 0.000 1.387 4 I CB 0.648 38.643 38.000 -0.007 0.000 1.404 4 I HN 0.369 nan 8.210 nan 0.000 0.528 5 K N 4.181 124.501 120.400 -0.133 0.000 2.391 5 K HA 0.257 4.577 4.320 -0.001 0.000 0.197 5 K C 0.232 176.799 176.600 -0.055 0.000 1.087 5 K CA 0.195 56.427 56.287 -0.092 0.000 1.012 5 K CB 0.471 32.911 32.500 -0.099 0.000 0.925 5 K HN 0.517 nan 8.250 nan 0.000 0.547 6 K N 0.358 120.735 120.400 -0.038 0.000 2.471 6 K HA 0.548 4.867 4.320 -0.001 0.000 0.252 6 K C -1.122 175.462 176.600 -0.026 0.000 0.938 6 K CA -0.386 55.882 56.287 -0.031 0.000 0.796 6 K CB 2.257 34.738 32.500 -0.033 0.000 1.161 6 K HN 0.002 nan 8.250 nan 0.000 0.425 7 I N 2.013 122.570 120.570 -0.022 0.000 2.433 7 I HA 0.312 4.481 4.170 -0.001 0.000 0.292 7 I C -0.596 175.520 176.117 -0.002 0.000 1.001 7 I CA -1.012 60.278 61.300 -0.017 0.000 1.119 7 I CB 1.749 39.770 38.000 0.034 0.000 1.289 7 I HN 0.618 nan 8.210 nan 0.000 0.438 8 C N 6.355 125.652 119.300 -0.005 0.000 2.382 8 C HA 0.695 5.155 4.460 -0.001 0.000 0.327 8 C C -0.249 174.794 174.990 0.088 0.000 1.250 8 C CA -0.543 58.484 59.018 0.015 0.000 1.707 8 C CB 0.577 28.313 27.740 -0.007 0.000 2.272 8 C HN 0.951 nan 8.230 nan 0.000 0.506 9 C N 7.829 127.184 119.300 0.091 0.000 2.364 9 C HA 0.653 5.113 4.460 -0.001 0.000 0.324 9 C C -0.380 174.655 174.990 0.076 0.000 1.234 9 C CA -0.652 58.453 59.018 0.146 0.000 1.417 9 C CB -0.714 27.090 27.740 0.105 0.000 2.101 9 C HN 0.839 nan 8.230 nan 0.000 0.466 10 I N 6.107 126.738 120.570 0.100 0.000 2.325 10 I HA 0.567 4.737 4.170 -0.001 0.000 0.291 10 I C 0.857 177.019 176.117 0.074 0.000 1.019 10 I CA 0.810 62.158 61.300 0.080 0.000 1.302 10 I CB 0.805 38.858 38.000 0.089 0.000 1.401 10 I HN 1.069 nan 8.210 nan 0.000 0.485 11 G N 4.674 113.512 108.800 0.063 0.000 3.238 11 G HA2 0.117 4.076 3.960 -0.001 0.000 0.684 11 G HA3 0.117 4.076 3.960 -0.001 0.000 0.684 11 G C -0.346 174.588 174.900 0.057 0.000 1.156 11 G CA -0.405 44.731 45.100 0.060 0.000 1.048 11 G HN 0.972 nan 8.290 nan 0.000 0.462 12 A N 1.858 124.736 122.820 0.096 0.000 3.245 12 A HA 0.799 5.118 4.320 -0.001 0.000 0.282 12 A C 1.280 179.038 177.584 0.291 0.000 1.417 12 A CA 1.018 53.117 52.037 0.102 0.000 1.149 12 A CB -0.142 18.921 19.000 0.105 0.000 1.155 12 A HN 1.966 nan 8.150 nan 0.000 0.602 13 G N -1.128 107.796 108.800 0.207 0.000 2.782 13 G HA2 0.389 4.348 3.960 -0.001 0.000 0.201 13 G HA3 0.389 4.348 3.960 -0.001 0.000 0.201 13 G C 0.442 175.490 174.900 0.247 0.000 1.374 13 G CA -0.310 44.938 45.100 0.247 0.000 1.039 13 G HN 0.334 nan 8.290 nan 0.000 0.576 14 Y N -1.072 119.336 120.300 0.179 0.000 2.403 14 Y HA -0.049 4.500 4.550 -0.001 0.000 0.291 14 Y C 2.724 178.687 175.900 0.105 0.000 1.143 14 Y CA 0.834 59.027 58.100 0.156 0.000 1.257 14 Y CB -0.159 38.362 38.460 0.103 0.000 0.984 14 Y HN 0.059 nan 8.280 nan 0.000 0.550 15 V N -1.463 118.568 119.914 0.194 0.000 2.403 15 V HA -0.042 4.077 4.120 -0.001 0.000 0.239 15 V C 2.481 178.579 176.094 0.006 0.000 1.041 15 V CA 1.570 63.916 62.300 0.076 0.000 1.051 15 V CB -1.163 30.678 31.823 0.029 0.000 0.704 15 V HN 0.390 nan 8.190 nan 0.000 0.472 16 G N 0.183 108.981 108.800 -0.004 0.000 2.440 16 G HA2 -0.163 3.796 3.960 -0.001 0.000 0.218 16 G HA3 -0.163 3.796 3.960 -0.001 0.000 0.218 16 G C 1.572 176.385 174.900 -0.145 0.000 1.154 16 G CA 1.156 46.209 45.100 -0.077 0.000 0.767 16 G HN 0.583 nan 8.290 nan 0.000 0.552 17 G N 1.537 110.243 108.800 -0.157 0.000 2.464 17 G HA2 -0.055 3.904 3.960 -0.001 0.000 0.214 17 G HA3 -0.055 3.904 3.960 -0.001 0.000 0.214 17 G C 0.050 174.833 174.900 -0.195 0.000 1.218 17 G CA 1.245 46.077 45.100 -0.446 0.000 0.794 17 G HN 0.401 nan 8.290 nan 0.000 0.542 18 P HA -0.080 nan 4.420 nan 0.000 0.217 18 P C 2.347 179.632 177.300 -0.024 0.000 1.150 18 P CA 2.403 65.517 63.100 0.024 0.000 0.832 18 P CB -0.345 31.404 31.700 0.081 0.000 0.787 19 T N -3.389 111.138 114.554 -0.045 0.000 2.708 19 T HA -0.196 4.153 4.350 -0.001 0.000 0.266 19 T C 1.990 176.641 174.700 -0.081 0.000 1.037 19 T CA 1.519 63.587 62.100 -0.052 0.000 1.146 19 T CB -1.658 67.131 68.868 -0.132 0.000 0.865 19 T HN 0.057 nan 8.240 nan 0.000 0.435 20 C N 1.648 120.865 119.300 -0.138 0.000 2.429 20 C HA 0.002 4.462 4.460 -0.001 0.000 0.277 20 C C 3.428 178.333 174.990 -0.142 0.000 1.262 20 C CA 1.050 59.983 59.018 -0.140 0.000 1.733 20 C CB -1.419 26.194 27.740 -0.212 0.000 2.010 20 C HN 0.654 nan 8.230 nan 0.000 0.483 21 S N 0.742 116.361 115.700 -0.135 0.000 2.370 21 S HA -0.153 4.316 4.470 -0.001 0.000 0.226 21 S C 1.866 176.405 174.600 -0.102 0.000 1.033 21 S CA 1.584 59.727 58.200 -0.094 0.000 1.011 21 S CB -0.389 62.793 63.200 -0.029 0.000 0.852 21 S HN 0.504 nan 8.310 nan 0.000 0.457 22 V N 1.969 121.807 119.914 -0.126 0.000 2.307 22 V HA -0.133 3.986 4.120 -0.001 0.000 0.245 22 V C 2.082 177.945 176.094 -0.385 0.000 1.045 22 V CA 1.386 63.553 62.300 -0.221 0.000 1.024 22 V CB -0.661 31.043 31.823 -0.197 0.000 0.651 22 V HN 0.421 nan 8.190 nan 0.000 0.449 23 I N 0.654 121.064 120.570 -0.266 0.000 2.118 23 I HA -0.319 3.850 4.170 -0.001 0.000 0.241 23 I C 2.678 178.680 176.117 -0.192 0.000 1.070 23 I CA 1.865 63.038 61.300 -0.212 0.000 1.327 23 I CB -0.625 37.386 38.000 0.019 0.000 1.034 23 I HN 0.302 nan 8.210 nan 0.000 0.405 24 A N -0.365 122.377 122.820 -0.131 0.000 1.933 24 A HA -0.307 4.012 4.320 -0.001 0.000 0.218 24 A C 2.162 179.691 177.584 -0.092 0.000 1.175 24 A CA 2.151 54.125 52.037 -0.104 0.000 0.628 24 A CB -0.952 17.988 19.000 -0.100 0.000 0.814 24 A HN 0.553 nan 8.150 nan 0.000 0.444 25 H N -0.880 118.066 119.070 -0.206 0.000 2.357 25 H HA 0.009 4.564 4.556 -0.001 0.000 0.301 25 H C 1.784 176.983 175.328 -0.214 0.000 1.082 25 H CA 2.023 57.955 56.048 -0.194 0.000 1.342 25 H CB -0.052 29.589 29.762 -0.202 0.000 1.389 25 H HN 0.310 nan 8.280 nan 0.000 0.511 26 M N -0.592 118.793 119.600 -0.358 0.000 2.514 26 M HA 0.098 4.578 4.480 -0.001 0.000 0.258 26 M C 0.253 176.442 176.300 -0.186 0.000 1.119 26 M CA 0.285 55.375 55.300 -0.351 0.000 1.111 26 M CB -0.389 31.850 32.600 -0.602 0.000 1.390 26 M HN 0.266 nan 8.290 nan 0.000 0.475 27 C N 2.152 121.320 119.300 -0.220 0.000 3.002 27 C HA 0.314 4.773 4.460 -0.001 0.000 0.248 27 C C -1.075 173.810 174.990 -0.175 0.000 1.153 27 C CA -1.079 57.784 59.018 -0.259 0.000 1.502 27 C CB 0.336 27.855 27.740 -0.370 0.000 1.805 27 C HN 0.235 nan 8.230 nan 0.000 0.450 28 P HA -0.157 nan 4.420 nan 0.000 0.222 28 P C 1.434 178.697 177.300 -0.063 0.000 1.147 28 P CA 1.587 64.635 63.100 -0.088 0.000 0.790 28 P CB 0.258 31.914 31.700 -0.074 0.000 0.780 29 E N 0.517 120.674 120.200 -0.072 0.000 2.427 29 E HA -0.047 4.302 4.350 -0.001 0.000 0.196 29 E C 0.610 177.176 176.600 -0.056 0.000 1.028 29 E CA 0.237 56.608 56.400 -0.050 0.000 0.864 29 E CB -0.531 29.149 29.700 -0.033 0.000 0.813 29 E HN 0.307 nan 8.360 nan 0.000 0.514 30 I N 2.243 122.765 120.570 -0.080 0.000 2.331 30 I HA 0.245 4.415 4.170 -0.001 0.000 0.292 30 I C 0.614 176.715 176.117 -0.027 0.000 0.998 30 I CA -0.777 60.484 61.300 -0.065 0.000 1.267 30 I CB 1.244 39.189 38.000 -0.092 0.000 1.386 30 I HN -0.138 nan 8.210 nan 0.000 0.476 31 R N 6.114 126.610 120.500 -0.006 0.000 2.267 31 R HA 0.456 4.795 4.340 -0.001 0.000 0.319 31 R C -1.365 174.951 176.300 0.027 0.000 1.067 31 R CA -0.317 55.808 56.100 0.042 0.000 0.936 31 R CB 0.806 31.113 30.300 0.011 0.000 1.006 31 R HN 0.469 nan 8.270 nan 0.000 0.452 32 V N 4.334 124.280 119.914 0.053 0.000 2.409 32 V HA 0.302 4.421 4.120 -0.001 0.000 0.291 32 V C -0.311 175.778 176.094 -0.009 0.000 1.020 32 V CA -0.653 61.646 62.300 -0.001 0.000 0.848 32 V CB 1.835 33.627 31.823 -0.053 0.000 0.990 32 V HN 0.792 nan 8.190 nan 0.000 0.430 33 T N 4.393 118.920 114.554 -0.044 0.000 2.786 33 T HA 0.535 4.884 4.350 -0.001 0.000 0.283 33 T C -0.283 174.333 174.700 -0.141 0.000 0.992 33 T CA -0.417 61.635 62.100 -0.080 0.000 0.954 33 T CB 1.560 70.393 68.868 -0.058 0.000 0.934 33 T HN 0.343 nan 8.240 nan 0.000 0.440 34 V N 4.565 124.304 119.914 -0.291 0.000 2.394 34 V HA 0.640 4.760 4.120 -0.001 0.000 0.282 34 V C 0.353 176.400 176.094 -0.078 0.000 1.031 34 V CA -0.770 61.384 62.300 -0.243 0.000 0.881 34 V CB 1.041 32.577 31.823 -0.478 0.000 0.982 34 V HN 0.796 nan 8.190 nan 0.000 0.451 35 V N 0.918 120.830 119.914 -0.004 0.000 2.960 35 V HA 0.870 4.990 4.120 -0.001 0.000 0.315 35 V C -0.924 175.214 176.094 0.074 0.000 1.087 35 V CA -0.507 61.822 62.300 0.049 0.000 0.982 35 V CB 2.256 34.102 31.823 0.038 0.000 1.039 35 V HN 0.842 nan 8.190 nan 0.000 0.437 36 D N 0.207 120.663 120.400 0.094 0.000 2.663 36 D HA 0.305 4.944 4.640 -0.001 0.000 0.233 36 D C 0.418 176.772 176.300 0.090 0.000 1.240 36 D CA 0.167 54.226 54.000 0.098 0.000 0.774 36 D CB 2.718 43.597 40.800 0.133 0.000 1.443 36 D HN 0.763 nan 8.370 nan 0.000 0.441 37 V N 0.600 120.562 119.914 0.081 0.000 2.719 37 V HA 0.127 4.246 4.120 -0.001 0.000 0.252 37 V C 0.813 176.950 176.094 0.072 0.000 1.065 37 V CA 0.688 63.032 62.300 0.074 0.000 1.086 37 V CB -0.372 31.497 31.823 0.077 0.000 0.700 37 V HN 0.389 nan 8.190 nan 0.000 0.467 38 N N 1.946 120.691 118.700 0.076 0.000 2.402 38 N HA 0.035 4.774 4.740 -0.001 0.000 0.259 38 N C 0.939 176.496 175.510 0.079 0.000 1.167 38 N CA 0.509 53.600 53.050 0.069 0.000 0.949 38 N CB 0.820 39.346 38.487 0.065 0.000 1.212 38 N HN 0.650 nan 8.380 nan 0.000 0.493 39 E N 1.947 122.185 120.200 0.064 0.000 2.106 39 E HA -0.174 4.176 4.350 -0.001 0.000 0.192 39 E C 1.351 177.984 176.600 0.055 0.000 0.984 39 E CA 1.079 57.518 56.400 0.065 0.000 0.806 39 E CB 0.205 29.936 29.700 0.051 0.000 0.750 39 E HN 0.714 nan 8.360 nan 0.000 0.458 40 S N 0.503 116.224 115.700 0.034 0.000 2.383 40 S HA -0.201 4.268 4.470 -0.001 0.000 0.227 40 S C 2.095 176.691 174.600 -0.006 0.000 1.026 40 S CA 1.075 59.281 58.200 0.009 0.000 0.981 40 S CB -0.285 62.912 63.200 -0.004 0.000 0.818 40 S HN 0.238 nan 8.310 nan 0.000 0.472 41 R N 0.616 121.126 120.500 0.016 0.000 2.073 41 R HA -0.027 4.313 4.340 -0.001 0.000 0.234 41 R C 2.144 178.505 176.300 0.102 0.000 1.134 41 R CA 1.764 57.867 56.100 0.005 0.000 0.952 41 R CB -0.403 29.942 30.300 0.075 0.000 0.850 41 R HN 0.403 nan 8.270 nan 0.000 0.433 42 I N 1.885 122.576 120.570 0.202 0.000 2.179 42 I HA -0.262 3.907 4.170 -0.001 0.000 0.242 42 I C 1.710 177.926 176.117 0.164 0.000 1.088 42 I CA 1.347 62.812 61.300 0.275 0.000 1.357 42 I CB -1.488 36.645 38.000 0.222 0.000 1.051 42 I HN 0.279 nan 8.210 nan 0.000 0.409 43 N N 1.407 120.157 118.700 0.083 0.000 2.104 43 N HA -0.151 4.589 4.740 -0.001 0.000 0.190 43 N C 1.936 177.433 175.510 -0.022 0.000 1.024 43 N CA 1.747 54.819 53.050 0.037 0.000 0.853 43 N CB -0.371 38.128 38.487 0.019 0.000 1.008 43 N HN 0.378 nan 8.380 nan 0.000 0.424 44 A N 0.166 122.930 122.820 -0.092 0.000 1.908 44 A HA -0.141 4.178 4.320 -0.001 0.000 0.218 44 A C 2.124 179.537 177.584 -0.285 0.000 1.181 44 A CA 1.230 53.140 52.037 -0.212 0.000 0.627 44 A CB -1.199 17.611 19.000 -0.317 0.000 0.818 44 A HN 0.455 nan 8.150 nan 0.000 0.445 45 W N 0.151 121.256 121.300 -0.325 0.000 2.374 45 W HA -0.082 4.578 4.660 -0.001 0.000 0.288 45 W C 1.556 177.763 176.519 -0.521 0.000 1.218 45 W CA 0.884 57.837 57.345 -0.655 0.000 1.245 45 W CB -0.052 28.641 29.460 -1.277 0.000 1.126 45 W HN 0.298 nan 8.180 nan 0.000 0.545 46 N N -0.064 118.620 118.700 -0.027 0.000 2.322 46 N HA -0.005 4.734 4.740 -0.001 0.000 0.194 46 N C 0.331 175.844 175.510 0.004 0.000 1.126 46 N CA 0.666 53.739 53.050 0.038 0.000 0.845 46 N CB 0.066 38.616 38.487 0.105 0.000 0.976 46 N HN 0.020 nan 8.380 nan 0.000 0.475 47 S N -0.338 115.335 115.700 -0.043 0.000 2.739 47 S HA 0.540 5.009 4.470 -0.001 0.000 0.306 47 S C -2.047 172.519 174.600 -0.056 0.000 1.115 47 S CA -1.163 57.009 58.200 -0.046 0.000 0.985 47 S CB 2.200 65.361 63.200 -0.064 0.000 1.133 47 S HN -0.243 nan 8.310 nan 0.000 0.541 48 P HA 0.128 nan 4.420 nan 0.000 0.230 48 P C -0.147 177.116 177.300 -0.062 0.000 1.158 48 P CA 0.837 63.911 63.100 -0.042 0.000 0.769 48 P CB -0.131 31.551 31.700 -0.030 0.000 0.807 49 T N 1.076 115.577 114.554 -0.089 0.000 3.053 49 T HA 0.332 4.681 4.350 -0.001 0.000 0.363 49 T C 0.214 174.797 174.700 -0.196 0.000 1.239 49 T CA -0.560 61.472 62.100 -0.113 0.000 1.071 49 T CB 0.050 68.861 68.868 -0.096 0.000 1.089 49 T HN -0.121 nan 8.240 nan 0.000 0.527 50 L N 4.568 125.647 121.223 -0.240 0.000 2.483 50 L HA 0.173 4.512 4.340 -0.001 0.000 0.275 50 L C -0.625 175.919 176.870 -0.544 0.000 1.220 50 L CA -1.484 53.073 54.840 -0.470 0.000 0.833 50 L CB 0.439 42.225 42.059 -0.455 0.000 1.102 50 L HN 0.328 nan 8.230 nan 0.000 0.490 51 P HA -0.008 nan 4.420 nan 0.000 0.229 51 P C -0.032 176.963 177.300 -0.507 0.000 1.160 51 P CA 1.028 63.741 63.100 -0.646 0.000 0.777 51 P CB 0.138 31.350 31.700 -0.815 0.000 0.814 52 I N -4.698 115.505 120.570 -0.611 0.000 2.785 52 I HA 0.552 4.721 4.170 -0.001 0.000 0.302 52 I C -1.177 174.849 176.117 -0.152 0.000 1.069 52 I CA -1.803 59.255 61.300 -0.403 0.000 1.045 52 I CB 2.148 39.658 38.000 -0.816 0.000 1.236 52 I HN -0.337 nan 8.210 nan 0.000 0.429 53 Y N 3.286 123.555 120.300 -0.052 0.000 2.335 53 Y HA 0.649 5.198 4.550 -0.001 0.000 0.339 53 Y C -0.823 175.123 175.900 0.076 0.000 0.987 53 Y CA -0.267 57.838 58.100 0.007 0.000 1.140 53 Y CB 1.099 39.591 38.460 0.052 0.000 1.173 53 Y HN 0.751 nan 8.280 nan 0.000 0.486 54 E N 8.150 127.925 120.200 -0.708 0.000 2.294 54 E HA 0.437 4.787 4.350 -0.001 0.000 0.272 54 E C -3.052 173.193 176.600 -0.591 0.000 0.896 54 E CA -2.694 53.395 56.400 -0.519 0.000 0.802 54 E CB 1.612 31.221 29.700 -0.151 0.000 1.267 54 E HN 0.330 nan 8.360 nan 0.000 0.406 55 P HA 0.150 nan 4.420 nan 0.000 0.262 55 P C 0.694 177.909 177.300 -0.142 0.000 1.182 55 P CA 1.407 64.348 63.100 -0.264 0.000 0.761 55 P CB 0.713 32.345 31.700 -0.112 0.000 0.795 56 G N 2.175 110.921 108.800 -0.090 0.000 2.234 56 G HA2 -0.350 3.609 3.960 -0.001 0.000 0.260 56 G HA3 -0.350 3.609 3.960 -0.001 0.000 0.260 56 G C 0.720 175.575 174.900 -0.075 0.000 0.987 56 G CA 0.383 45.443 45.100 -0.066 0.000 0.625 56 G HN 0.558 nan 8.290 nan 0.000 0.532 57 L N 1.207 122.382 121.223 -0.079 0.000 2.027 57 L HA 0.263 4.602 4.340 -0.001 0.000 0.206 57 L C 2.654 179.516 176.870 -0.013 0.000 1.074 57 L CA 3.149 57.967 54.840 -0.037 0.000 0.745 57 L CB -0.608 41.444 42.059 -0.012 0.000 0.898 57 L HN 0.383 nan 8.230 nan 0.000 0.433 58 K N -0.584 119.805 120.400 -0.018 0.000 2.089 58 K HA -0.275 4.045 4.320 -0.001 0.000 0.210 58 K C 1.878 178.470 176.600 -0.013 0.000 1.048 58 K CA 2.160 58.445 56.287 -0.004 0.000 0.926 58 K CB -0.056 32.444 32.500 -0.000 0.000 0.714 58 K HN 0.375 nan 8.250 nan 0.000 0.448 59 E N -0.058 120.121 120.200 -0.035 0.000 2.107 59 E HA -0.112 4.238 4.350 -0.001 0.000 0.191 59 E C 1.933 178.473 176.600 -0.099 0.000 0.982 59 E CA 1.087 57.456 56.400 -0.052 0.000 0.809 59 E CB -0.016 29.651 29.700 -0.054 0.000 0.756 59 E HN 0.081 nan 8.360 nan 0.000 0.459 60 V N 0.212 120.039 119.914 -0.145 0.000 2.307 60 V HA -0.227 3.893 4.120 -0.001 0.000 0.245 60 V C 2.216 178.243 176.094 -0.112 0.000 1.045 60 V CA 1.304 63.455 62.300 -0.248 0.000 1.024 60 V CB -0.453 31.207 31.823 -0.271 0.000 0.651 60 V HN 0.133 nan 8.190 nan 0.000 0.449 61 V N 0.017 119.920 119.914 -0.018 0.000 2.287 61 V HA -0.315 3.804 4.120 -0.001 0.000 0.248 61 V C 2.406 178.522 176.094 0.036 0.000 1.053 61 V CA 2.328 64.667 62.300 0.065 0.000 1.027 61 V CB -0.670 31.243 31.823 0.150 0.000 0.646 61 V HN 0.623 nan 8.190 nan 0.000 0.447 62 E N 0.336 120.543 120.200 0.011 0.000 2.268 62 E HA -0.144 4.205 4.350 -0.001 0.000 0.195 62 E C 2.265 178.861 176.600 -0.006 0.000 0.995 62 E CA 1.280 57.681 56.400 0.003 0.000 0.836 62 E CB -0.165 29.534 29.700 -0.002 0.000 0.763 62 E HN 0.772 nan 8.360 nan 0.000 0.491 63 S N -0.546 115.149 115.700 -0.009 0.000 2.453 63 S HA -0.075 4.395 4.470 -0.001 0.000 0.231 63 S C 1.866 176.478 174.600 0.019 0.000 1.005 63 S CA 0.637 58.848 58.200 0.017 0.000 0.949 63 S CB -0.016 63.216 63.200 0.053 0.000 0.774 63 S HN 0.289 nan 8.310 nan 0.000 0.510 64 C N 0.139 119.436 119.300 -0.006 0.000 3.449 64 C HA 0.456 4.915 4.460 -0.001 0.000 0.404 64 C C 1.053 175.961 174.990 -0.138 0.000 1.383 64 C CA -0.998 57.990 59.018 -0.049 0.000 1.936 64 C CB -0.981 26.737 27.740 -0.037 0.000 2.738 64 C HN 0.529 nan 8.230 nan 0.000 0.663 65 R N 1.424 121.862 120.500 -0.102 0.000 2.449 65 R HA 0.409 4.748 4.340 -0.001 0.000 0.296 65 R C 1.312 177.454 176.300 -0.262 0.000 1.047 65 R CA 1.391 57.395 56.100 -0.160 0.000 1.018 65 R CB -0.050 30.264 30.300 0.025 0.000 0.962 65 R HN 0.616 nan 8.270 nan 0.000 0.428 66 G N 3.507 111.956 108.800 -0.584 0.000 2.225 66 G HA2 -0.327 3.633 3.960 -0.001 0.000 0.254 66 G HA3 -0.327 3.633 3.960 -0.001 0.000 0.254 66 G C 0.641 175.302 174.900 -0.398 0.000 0.988 66 G CA 0.581 45.376 45.100 -0.509 0.000 0.625 66 G HN 0.628 nan 8.290 nan 0.000 0.527 67 K N 0.018 120.202 120.400 -0.360 0.000 2.167 67 K HA 0.157 4.477 4.320 -0.001 0.000 0.214 67 K C 1.753 178.329 176.600 -0.040 0.000 1.024 67 K CA 1.012 57.226 56.287 -0.122 0.000 0.951 67 K CB -0.117 32.334 32.500 -0.080 0.000 0.907 67 K HN 0.378 nan 8.250 nan 0.000 0.459 68 N N 0.350 118.985 118.700 -0.109 0.000 2.143 68 N HA 0.055 4.795 4.740 -0.001 0.000 0.229 68 N C -0.783 174.720 175.510 -0.011 0.000 1.294 68 N CA -0.186 52.906 53.050 0.070 0.000 0.883 68 N CB 0.443 38.948 38.487 0.029 0.000 1.148 68 N HN 0.044 nan 8.380 nan 0.000 0.511 69 L N 0.661 121.676 121.223 -0.347 0.000 2.356 69 L HA 0.697 5.036 4.340 -0.001 0.000 0.277 69 L C -1.855 174.604 176.870 -0.686 0.000 0.996 69 L CA -0.590 54.038 54.840 -0.354 0.000 0.822 69 L CB 1.072 42.964 42.059 -0.278 0.000 1.256 69 L HN -0.040 nan 8.230 nan 0.000 0.413 70 F N 4.578 124.318 119.950 -0.351 0.000 2.569 70 F HA 0.580 5.107 4.527 -0.001 0.000 0.312 70 F C -0.917 174.588 175.800 -0.492 0.000 1.109 70 F CA -0.389 57.459 58.000 -0.253 0.000 0.919 70 F CB 1.902 40.827 39.000 -0.124 0.000 1.211 70 F HN 0.200 nan 8.300 nan 0.000 0.446 71 F N 1.581 121.597 119.950 0.109 0.000 2.467 71 F HA 0.657 5.184 4.527 -0.001 0.000 0.336 71 F C 0.122 175.978 175.800 0.094 0.000 1.123 71 F CA -0.624 57.402 58.000 0.044 0.000 0.964 71 F CB 2.077 41.094 39.000 0.028 0.000 1.136 71 F HN 0.384 nan 8.300 nan 0.000 0.447 72 S N 0.273 116.101 115.700 0.213 0.000 2.570 72 S HA 0.421 4.891 4.470 -0.001 0.000 0.270 72 S C 0.313 174.984 174.600 0.118 0.000 1.149 72 S CA -0.197 58.092 58.200 0.149 0.000 0.837 72 S CB 1.424 64.681 63.200 0.096 0.000 1.124 72 S HN 0.724 nan 8.310 nan 0.000 0.465 73 T N 0.051 114.665 114.554 0.099 0.000 3.086 73 T HA 0.200 4.550 4.350 -0.001 0.000 0.250 73 T C 0.565 175.299 174.700 0.057 0.000 1.074 73 T CA 0.030 62.179 62.100 0.080 0.000 0.988 73 T CB -0.445 68.469 68.868 0.076 0.000 0.988 73 T HN 0.409 nan 8.240 nan 0.000 0.530 74 N N 1.655 120.383 118.700 0.047 0.000 2.671 74 N HA 0.230 4.969 4.740 -0.001 0.000 0.274 74 N C 0.754 176.276 175.510 0.021 0.000 1.188 74 N CA -0.436 52.630 53.050 0.028 0.000 1.065 74 N CB -0.610 37.887 38.487 0.015 0.000 1.415 74 N HN 0.435 nan 8.380 nan 0.000 0.511 75 I N 0.689 121.276 120.570 0.029 0.000 2.252 75 I HA -0.243 3.927 4.170 -0.001 0.000 0.245 75 I C 1.366 177.492 176.117 0.015 0.000 1.102 75 I CA 0.859 62.175 61.300 0.028 0.000 1.385 75 I CB 0.063 38.087 38.000 0.041 0.000 1.064 75 I HN 0.295 nan 8.210 nan 0.000 0.414 76 D N 0.907 121.314 120.400 0.013 0.000 2.097 76 D HA -0.182 4.457 4.640 -0.001 0.000 0.195 76 D C 1.782 178.077 176.300 -0.008 0.000 0.989 76 D CA 1.362 55.365 54.000 0.004 0.000 0.827 76 D CB -0.452 40.351 40.800 0.005 0.000 0.966 76 D HN 0.268 nan 8.370 nan 0.000 0.456 77 D N 0.335 120.728 120.400 -0.012 0.000 2.144 77 D HA -0.059 4.581 4.640 -0.001 0.000 0.199 77 D C 1.980 178.259 176.300 -0.036 0.000 0.984 77 D CA 1.163 55.147 54.000 -0.026 0.000 0.834 77 D CB -0.287 40.495 40.800 -0.030 0.000 0.955 77 D HN 0.145 nan 8.370 nan 0.000 0.465 78 A N 0.477 123.278 122.820 -0.032 0.000 1.898 78 A HA -0.113 4.207 4.320 -0.001 0.000 0.216 78 A C 2.335 179.900 177.584 -0.032 0.000 1.181 78 A CA 0.785 52.799 52.037 -0.039 0.000 0.620 78 A CB -0.657 18.326 19.000 -0.028 0.000 0.819 78 A HN 0.177 nan 8.150 nan 0.000 0.442 79 I N 0.082 120.639 120.570 -0.021 0.000 2.127 79 I HA -0.290 3.879 4.170 -0.001 0.000 0.241 79 I C 3.131 179.225 176.117 -0.038 0.000 1.075 79 I CA 1.921 63.206 61.300 -0.026 0.000 1.334 79 I CB -0.433 37.557 38.000 -0.016 0.000 1.040 79 I HN 0.428 nan 8.210 nan 0.000 0.405 80 K N 0.867 121.246 120.400 -0.035 0.000 2.074 80 K HA -0.227 4.093 4.320 -0.001 0.000 0.209 80 K C 2.018 178.597 176.600 -0.034 0.000 1.048 80 K CA 2.159 58.424 56.287 -0.036 0.000 0.926 80 K CB -1.718 30.764 32.500 -0.030 0.000 0.713 80 K HN 0.606 nan 8.250 nan 0.000 0.444 81 E N -0.148 120.030 120.200 -0.036 0.000 2.479 81 E HA 0.600 4.950 4.350 -0.001 0.000 0.193 81 E C 1.050 177.635 176.600 -0.025 0.000 1.049 81 E CA 0.302 56.682 56.400 -0.033 0.000 0.870 81 E CB -0.325 29.345 29.700 -0.051 0.000 0.944 81 E HN 0.947 nan 8.360 nan 0.000 0.492 82 A N 1.039 123.842 122.820 -0.029 0.000 2.363 82 A HA 0.431 4.751 4.320 -0.001 0.000 0.270 82 A C 0.444 178.030 177.584 0.003 0.000 1.121 82 A CA -0.060 51.962 52.037 -0.024 0.000 0.800 82 A CB 0.498 19.474 19.000 -0.041 0.000 1.052 82 A HN 0.202 nan 8.150 nan 0.000 0.493 83 D N 0.525 120.952 120.400 0.046 0.000 2.183 83 D HA 0.046 4.686 4.640 -0.001 0.000 0.205 83 D C 0.147 176.486 176.300 0.065 0.000 0.962 83 D CA 1.077 55.171 54.000 0.157 0.000 0.849 83 D CB 0.121 41.088 40.800 0.278 0.000 0.978 83 D HN 0.391 nan 8.370 nan 0.000 0.488 84 L N 0.638 121.844 121.223 -0.029 0.000 2.386 84 L HA 0.405 4.744 4.340 -0.001 0.000 0.271 84 L C -1.383 175.368 176.870 -0.199 0.000 0.993 84 L CA -0.688 54.059 54.840 -0.155 0.000 0.819 84 L CB 2.443 44.361 42.059 -0.234 0.000 1.294 84 L HN -0.342 nan 8.230 nan 0.000 0.414 85 V N 5.383 125.167 119.914 -0.216 0.000 2.376 85 V HA 0.406 4.526 4.120 -0.001 0.000 0.287 85 V C -0.502 175.518 176.094 -0.124 0.000 1.015 85 V CA -0.393 61.832 62.300 -0.124 0.000 0.834 85 V CB 1.004 32.798 31.823 -0.047 0.000 1.001 85 V HN 0.527 nan 8.190 nan 0.000 0.428 86 F N 4.637 124.601 119.950 0.024 0.000 2.443 86 F HA 0.472 4.998 4.527 -0.001 0.000 0.353 86 F C 0.530 176.352 175.800 0.037 0.000 1.101 86 F CA -0.458 57.562 58.000 0.034 0.000 1.226 86 F CB 0.854 39.871 39.000 0.028 0.000 1.140 86 F HN 0.284 nan 8.300 nan 0.000 0.557 87 I N 2.905 123.629 120.570 0.257 0.000 2.307 87 I HA 0.195 4.364 4.170 -0.001 0.000 0.289 87 I C 0.071 176.274 176.117 0.142 0.000 1.021 87 I CA 0.149 61.549 61.300 0.167 0.000 1.224 87 I CB 0.761 38.838 38.000 0.129 0.000 1.376 87 I HN 0.502 nan 8.210 nan 0.000 0.470 88 S N 4.884 120.648 115.700 0.106 0.000 2.835 88 S HA 0.158 4.628 4.470 -0.001 0.000 0.248 88 S C 0.054 174.683 174.600 0.050 0.000 1.070 88 S CA -0.539 57.696 58.200 0.058 0.000 1.090 88 S CB 0.297 63.508 63.200 0.018 0.000 0.978 88 S HN 0.473 nan 8.310 nan 0.000 0.510 89 V N 0.765 120.715 119.914 0.060 0.000 3.083 89 V HA 0.545 4.665 4.120 -0.001 0.000 0.306 89 V C 0.146 176.249 176.094 0.016 0.000 1.077 89 V CA -1.226 61.093 62.300 0.033 0.000 1.073 89 V CB 0.456 32.321 31.823 0.069 0.000 1.081 89 V HN 0.516 nan 8.190 nan 0.000 0.474 90 N N 1.311 119.971 118.700 -0.067 0.000 2.508 90 N HA 0.171 4.911 4.740 -0.001 0.000 0.264 90 N C 0.053 175.599 175.510 0.061 0.000 1.216 90 N CA 0.284 53.304 53.050 -0.049 0.000 0.943 90 N CB 0.834 39.239 38.487 -0.136 0.000 1.113 90 N HN 1.039 nan 8.380 nan 0.000 0.447 91 T N -2.971 111.626 114.554 0.071 0.000 3.504 91 T HA 0.323 4.673 4.350 -0.001 0.000 0.286 91 T C -2.679 172.067 174.700 0.078 0.000 1.530 91 T CA -1.450 60.714 62.100 0.106 0.000 1.652 91 T CB 0.634 69.544 68.868 0.070 0.000 0.895 91 T HN 0.386 nan 8.240 nan 0.000 0.674 92 P HA 0.240 nan 4.420 nan 0.000 0.274 92 P C 0.006 177.329 177.300 0.039 0.000 1.237 92 P CA -0.082 63.062 63.100 0.072 0.000 0.793 92 P CB 0.514 32.279 31.700 0.108 0.000 0.977 93 T N 2.092 116.652 114.554 0.010 0.000 2.902 93 T HA 0.036 4.385 4.350 -0.001 0.000 0.301 93 T C 0.584 175.245 174.700 -0.065 0.000 1.012 93 T CA 0.028 62.105 62.100 -0.039 0.000 1.151 93 T CB -0.174 68.680 68.868 -0.024 0.000 0.946 93 T HN 0.241 nan 8.240 nan 0.000 0.542 94 K N 2.408 122.700 120.400 -0.180 0.000 2.451 94 K HA 0.074 4.393 4.320 -0.001 0.000 0.280 94 K C 1.319 177.765 176.600 -0.256 0.000 1.020 94 K CA 0.045 56.120 56.287 -0.352 0.000 1.008 94 K CB 0.319 32.458 32.500 -0.601 0.000 0.917 94 K HN 0.734 nan 8.250 nan 0.000 0.478 95 T N -0.146 114.338 114.554 -0.116 0.000 3.186 95 T HA 0.151 4.500 4.350 -0.001 0.000 0.257 95 T C -0.413 174.374 174.700 0.145 0.000 1.029 95 T CA -0.420 61.716 62.100 0.059 0.000 0.916 95 T CB -0.543 68.419 68.868 0.157 0.000 1.041 95 T HN 0.585 nan 8.240 nan 0.000 0.562 96 Y N -2.774 117.518 120.300 -0.014 0.000 2.641 96 Y HA 0.654 5.203 4.550 -0.001 0.000 0.333 96 Y C 0.550 176.439 175.900 -0.019 0.000 1.174 96 Y CA -1.254 56.839 58.100 -0.012 0.000 1.057 96 Y CB 0.704 39.157 38.460 -0.011 0.000 1.322 96 Y HN 0.367 nan 8.280 nan 0.000 0.457 97 G N 1.461 110.333 108.800 0.120 0.000 2.575 97 G HA2 -0.307 3.652 3.960 -0.001 0.000 0.267 97 G HA3 -0.307 3.652 3.960 -0.001 0.000 0.267 97 G C -0.264 174.617 174.900 -0.031 0.000 1.264 97 G CA -0.060 45.080 45.100 0.067 0.000 0.935 97 G HN 1.145 nan 8.290 nan 0.000 0.568 98 M N 1.964 121.548 119.600 -0.027 0.000 2.303 98 M HA 0.384 4.863 4.480 -0.001 0.000 0.350 98 M C 1.538 177.778 176.300 -0.099 0.000 1.518 98 M CA 1.884 57.175 55.300 -0.015 0.000 1.070 98 M CB -0.467 32.148 32.600 0.025 0.000 1.910 98 M HN 2.618 nan 8.290 nan 0.000 0.458 99 G N 3.792 112.560 108.800 -0.055 0.000 2.143 99 G HA2 -0.302 3.658 3.960 -0.001 0.000 0.248 99 G HA3 -0.302 3.658 3.960 -0.001 0.000 0.248 99 G C 0.099 174.852 174.900 -0.244 0.000 0.991 99 G CA 0.548 45.526 45.100 -0.203 0.000 0.689 99 G HN 0.822 nan 8.290 nan 0.000 0.522 100 K N 0.255 120.557 120.400 -0.163 0.000 2.511 100 K HA 0.308 4.627 4.320 -0.001 0.000 0.277 100 K C 1.669 178.214 176.600 -0.091 0.000 1.025 100 K CA 1.399 57.599 56.287 -0.145 0.000 1.112 100 K CB -0.482 31.979 32.500 -0.065 0.000 0.859 100 K HN 1.610 nan 8.250 nan 0.000 0.485 101 G N 3.620 112.365 108.800 -0.091 0.000 2.162 101 G HA2 -0.303 3.656 3.960 -0.001 0.000 0.260 101 G HA3 -0.303 3.656 3.960 -0.001 0.000 0.260 101 G C 0.627 175.506 174.900 -0.035 0.000 0.976 101 G CA 0.680 45.757 45.100 -0.038 0.000 0.655 101 G HN 0.764 nan 8.290 nan 0.000 0.533 102 R N -0.621 119.822 120.500 -0.096 0.000 3.372 102 R HA 0.554 4.894 4.340 -0.001 0.000 0.150 102 R C 1.365 177.544 176.300 -0.202 0.000 0.739 102 R CA 0.330 56.385 56.100 -0.074 0.000 1.041 102 R CB -0.082 30.231 30.300 0.022 0.000 1.530 102 R HN 0.617 nan 8.270 nan 0.000 0.534 103 A N 1.697 124.216 122.820 -0.502 0.000 2.351 103 A HA 0.647 4.966 4.320 -0.001 0.000 0.257 103 A C -0.032 177.358 177.584 -0.323 0.000 1.087 103 A CA -0.146 51.478 52.037 -0.687 0.000 0.798 103 A CB 0.372 18.639 19.000 -1.221 0.000 1.033 103 A HN 0.393 nan 8.150 nan 0.000 0.488 104 A N 1.187 123.886 122.820 -0.202 0.000 2.401 104 A HA 0.445 4.764 4.320 -0.001 0.000 0.259 104 A C -0.029 177.493 177.584 -0.103 0.000 1.103 104 A CA -0.237 51.743 52.037 -0.095 0.000 0.789 104 A CB 0.057 19.040 19.000 -0.027 0.000 1.035 104 A HN 0.782 nan 8.150 nan 0.000 0.491 105 D N 2.297 122.665 120.400 -0.054 0.000 2.313 105 D HA 0.324 4.963 4.640 -0.001 0.000 0.239 105 D C 0.236 176.551 176.300 0.024 0.000 1.142 105 D CA 0.001 53.981 54.000 -0.034 0.000 0.847 105 D CB 0.677 41.489 40.800 0.020 0.000 1.082 105 D HN 0.424 nan 8.370 nan 0.000 0.480 106 L N 4.180 125.399 121.223 -0.007 0.000 2.818 106 L HA 0.111 4.451 4.340 -0.001 0.000 0.243 106 L C 2.154 179.011 176.870 -0.022 0.000 1.185 106 L CA -0.176 54.672 54.840 0.014 0.000 0.988 106 L CB 0.095 42.158 42.059 0.006 0.000 1.292 106 L HN 0.376 nan 8.230 nan 0.000 0.519 107 K N -0.521 119.808 120.400 -0.119 0.000 2.211 107 K HA -0.167 4.152 4.320 -0.001 0.000 0.203 107 K C 1.419 177.889 176.600 -0.217 0.000 1.050 107 K CA 1.427 57.589 56.287 -0.208 0.000 0.945 107 K CB -0.269 32.042 32.500 -0.315 0.000 0.732 107 K HN 0.165 nan 8.250 nan 0.000 0.451 108 Y N 1.499 121.828 120.300 0.047 0.000 2.243 108 Y HA -0.007 4.542 4.550 -0.001 0.000 0.293 108 Y C 2.313 178.238 175.900 0.042 0.000 1.124 108 Y CA 0.257 58.385 58.100 0.047 0.000 1.159 108 Y CB -0.186 38.304 38.460 0.051 0.000 1.008 108 Y HN -0.073 nan 8.280 nan 0.000 0.527 109 I N 0.513 121.188 120.570 0.175 0.000 2.163 109 I HA -0.299 3.870 4.170 -0.001 0.000 0.243 109 I C 2.382 178.534 176.117 0.060 0.000 1.085 109 I CA 1.828 63.189 61.300 0.102 0.000 1.347 109 I CB -1.213 36.827 38.000 0.067 0.000 1.044 109 I HN 0.272 nan 8.210 nan 0.000 0.408 110 E N 1.302 121.521 120.200 0.031 0.000 2.038 110 E HA -0.204 4.146 4.350 -0.001 0.000 0.195 110 E C 2.261 178.881 176.600 0.033 0.000 1.000 110 E CA 1.904 58.310 56.400 0.011 0.000 0.803 110 E CB -0.192 29.502 29.700 -0.009 0.000 0.750 110 E HN 0.398 nan 8.360 nan 0.000 0.448 111 A N 0.052 122.899 122.820 0.046 0.000 1.917 111 A HA -0.253 4.067 4.320 -0.001 0.000 0.219 111 A C 2.559 180.194 177.584 0.086 0.000 1.182 111 A CA 1.687 53.764 52.037 0.065 0.000 0.633 111 A CB -1.116 17.934 19.000 0.084 0.000 0.819 111 A HN 0.558 nan 8.150 nan 0.000 0.448 112 C N -1.203 118.158 119.300 0.101 0.000 2.432 112 C HA 0.059 4.519 4.460 -0.001 0.000 0.277 112 C C 3.339 178.403 174.990 0.125 0.000 1.249 112 C CA 0.753 59.836 59.018 0.109 0.000 1.725 112 C CB -1.421 26.387 27.740 0.114 0.000 2.028 112 C HN 0.723 nan 8.230 nan 0.000 0.477 113 A N 0.696 123.579 122.820 0.106 0.000 1.908 113 A HA -0.196 4.124 4.320 -0.001 0.000 0.218 113 A C 2.261 179.974 177.584 0.216 0.000 1.181 113 A CA 1.580 53.699 52.037 0.136 0.000 0.627 113 A CB -0.446 18.526 19.000 -0.047 0.000 0.818 113 A HN 0.570 nan 8.150 nan 0.000 0.445 114 R N -0.905 119.669 120.500 0.123 0.000 2.092 114 R HA -0.047 4.293 4.340 -0.001 0.000 0.231 114 R C 2.317 178.677 176.300 0.101 0.000 1.119 114 R CA 1.529 57.695 56.100 0.109 0.000 0.970 114 R CB -0.600 29.739 30.300 0.065 0.000 0.864 114 R HN 0.634 nan 8.270 nan 0.000 0.440 115 R N 0.582 121.137 120.500 0.091 0.000 2.073 115 R HA 0.023 4.362 4.340 -0.001 0.000 0.229 115 R C 2.360 178.695 176.300 0.057 0.000 1.120 115 R CA 0.889 57.029 56.100 0.067 0.000 0.967 115 R CB -0.216 30.122 30.300 0.064 0.000 0.862 115 R HN 0.085 nan 8.270 nan 0.000 0.436 116 I N -0.401 120.220 120.570 0.085 0.000 2.091 116 I HA -0.322 3.847 4.170 -0.001 0.000 0.239 116 I C 2.312 178.407 176.117 -0.036 0.000 1.061 116 I CA 1.370 62.692 61.300 0.037 0.000 1.317 116 I CB -0.403 37.658 38.000 0.103 0.000 1.031 116 I HN 0.085 nan 8.210 nan 0.000 0.401 117 V N 0.264 120.190 119.914 0.020 0.000 2.392 117 V HA -0.340 3.780 4.120 -0.001 0.000 0.249 117 V C 2.396 178.475 176.094 -0.025 0.000 1.059 117 V CA 2.040 64.311 62.300 -0.048 0.000 1.051 117 V CB -0.337 31.558 31.823 0.120 0.000 0.658 117 V HN 0.487 nan 8.190 nan 0.000 0.455 118 Q N -0.217 119.590 119.800 0.012 0.000 2.079 118 Q HA -0.114 4.226 4.340 -0.001 0.000 0.200 118 Q C 1.527 177.520 176.000 -0.012 0.000 0.974 118 Q CA 1.747 57.553 55.803 0.006 0.000 0.840 118 Q CB -0.105 28.645 28.738 0.020 0.000 0.898 118 Q HN 0.615 nan 8.270 nan 0.000 0.430 119 N N -0.242 118.447 118.700 -0.018 0.000 2.235 119 N HA 0.119 4.858 4.740 -0.001 0.000 0.209 119 N C -0.715 174.767 175.510 -0.047 0.000 1.122 119 N CA 0.106 53.142 53.050 -0.025 0.000 0.845 119 N CB 1.054 39.533 38.487 -0.013 0.000 1.004 119 N HN -0.053 nan 8.380 nan 0.000 0.499 120 S N 0.627 116.283 115.700 -0.074 0.000 2.509 120 S HA 0.456 4.925 4.470 -0.001 0.000 0.297 120 S C -0.254 174.290 174.600 -0.093 0.000 1.118 120 S CA -0.672 57.466 58.200 -0.104 0.000 1.074 120 S CB 1.767 64.859 63.200 -0.181 0.000 1.038 120 S HN 0.158 nan 8.310 nan 0.000 0.498 121 N N 0.376 119.028 118.700 -0.080 0.000 2.329 121 N HA 0.636 5.376 4.740 -0.001 0.000 0.282 121 N C 0.196 175.672 175.510 -0.055 0.000 1.198 121 N CA 0.194 53.206 53.050 -0.063 0.000 0.790 121 N CB 2.090 40.553 38.487 -0.039 0.000 1.579 121 N HN 0.874 nan 8.380 nan 0.000 0.475 122 G N 0.641 109.417 108.800 -0.041 0.000 2.553 122 G HA2 -0.295 3.664 3.960 -0.001 0.000 0.242 122 G HA3 -0.295 3.664 3.960 -0.001 0.000 0.242 122 G C -1.024 173.869 174.900 -0.011 0.000 1.277 122 G CA -0.226 44.871 45.100 -0.005 0.000 0.910 122 G HN 0.574 nan 8.290 nan 0.000 0.576 123 Y N 2.562 122.795 120.300 -0.112 0.000 2.326 123 Y HA 0.677 5.227 4.550 -0.001 0.000 0.337 123 Y C 0.448 176.240 175.900 -0.179 0.000 1.023 123 Y CA -0.185 57.807 58.100 -0.180 0.000 1.143 123 Y CB 0.776 39.082 38.460 -0.258 0.000 1.183 123 Y HN 0.568 nan 8.280 nan 0.000 0.485 124 K N 6.892 126.853 120.400 -0.733 0.000 2.502 124 K HA 0.504 4.823 4.320 -0.001 0.000 0.257 124 K C -1.612 174.551 176.600 -0.728 0.000 0.938 124 K CA -0.889 55.061 56.287 -0.562 0.000 0.819 124 K CB 2.569 34.883 32.500 -0.310 0.000 1.333 124 K HN 0.595 nan 8.250 nan 0.000 0.434 125 I N 2.271 122.569 120.570 -0.453 0.000 2.321 125 I HA 0.221 4.390 4.170 -0.001 0.000 0.291 125 I C -0.541 175.461 176.117 -0.192 0.000 0.998 125 I CA -1.053 60.064 61.300 -0.305 0.000 1.227 125 I CB 1.556 39.458 38.000 -0.165 0.000 1.368 125 I HN 0.141 nan 8.210 nan 0.000 0.466 126 V N 5.546 125.398 119.914 -0.103 0.000 2.370 126 V HA 0.354 4.473 4.120 -0.001 0.000 0.283 126 V C 0.088 176.193 176.094 0.018 0.000 1.023 126 V CA -0.273 62.025 62.300 -0.003 0.000 0.857 126 V CB 1.524 33.460 31.823 0.188 0.000 0.985 126 V HN 0.712 nan 8.190 nan 0.000 0.443 127 T N 4.416 118.965 114.554 -0.007 0.000 2.815 127 T HA 0.300 4.649 4.350 -0.001 0.000 0.289 127 T C -0.245 174.550 174.700 0.158 0.000 1.000 127 T CA -0.370 61.760 62.100 0.051 0.000 0.958 127 T CB 1.207 70.062 68.868 -0.022 0.000 0.944 127 T HN 0.764 nan 8.240 nan 0.000 0.442 128 E N 2.808 123.084 120.200 0.126 0.000 1.996 128 E HA 0.191 4.540 4.350 -0.001 0.000 0.280 128 E C 0.881 177.551 176.600 0.117 0.000 1.092 128 E CA -0.190 56.278 56.400 0.113 0.000 0.862 128 E CB 0.436 30.175 29.700 0.065 0.000 1.066 128 E HN 0.556 nan 8.360 nan 0.000 0.396 129 K N 2.322 122.804 120.400 0.136 0.000 2.308 129 K HA 0.132 4.452 4.320 -0.001 0.000 0.197 129 K C 0.143 176.741 176.600 -0.002 0.000 1.049 129 K CA -0.009 56.314 56.287 0.060 0.000 0.991 129 K CB 0.456 32.981 32.500 0.041 0.000 0.836 129 K HN 0.310 nan 8.250 nan 0.000 0.500 130 S N 1.543 117.260 115.700 0.028 0.000 2.558 130 S HA -0.022 4.447 4.470 -0.001 0.000 0.287 130 S C -0.231 174.369 174.600 -0.001 0.000 1.321 130 S CA 0.081 58.291 58.200 0.016 0.000 1.048 130 S CB 1.005 64.233 63.200 0.045 0.000 0.844 130 S HN 0.223 nan 8.310 nan 0.000 0.512 131 T N 3.384 117.932 114.554 -0.010 0.000 2.779 131 T HA 0.437 4.787 4.350 -0.001 0.000 0.296 131 T C 0.183 174.890 174.700 0.012 0.000 0.938 131 T CA -0.496 61.596 62.100 -0.013 0.000 1.119 131 T CB -0.100 68.758 68.868 -0.015 0.000 0.891 131 T HN 0.527 nan 8.240 nan 0.000 0.526 132 V N 2.128 122.053 119.914 0.017 0.000 3.040 132 V HA 0.763 4.883 4.120 -0.001 0.000 0.312 132 V C -2.917 173.199 176.094 0.036 0.000 1.115 132 V CA -3.297 59.021 62.300 0.030 0.000 0.998 132 V CB 1.489 33.332 31.823 0.034 0.000 1.042 132 V HN 0.437 nan 8.190 nan 0.000 0.433 133 P HA 0.183 nan 4.420 nan 0.000 0.268 133 P C -0.199 177.139 177.300 0.062 0.000 1.208 133 P CA -0.059 63.074 63.100 0.055 0.000 0.777 133 P CB 0.371 32.111 31.700 0.067 0.000 0.875 134 V N 5.477 125.433 119.914 0.070 0.000 2.617 134 V HA -0.054 4.065 4.120 -0.001 0.000 0.304 134 V C 1.409 177.555 176.094 0.087 0.000 1.040 134 V CA 0.586 62.944 62.300 0.097 0.000 1.149 134 V CB -0.682 31.200 31.823 0.098 0.000 0.914 134 V HN 0.672 nan 8.190 nan 0.000 0.487 135 R N 1.597 122.173 120.500 0.127 0.000 3.584 135 R HA -0.204 4.136 4.340 -0.001 0.000 0.488 135 R C 1.305 177.642 176.300 0.062 0.000 0.869 135 R CA 1.062 57.216 56.100 0.090 0.000 1.325 135 R CB -2.273 28.026 30.300 -0.002 0.000 2.015 135 R HN 0.915 nan 8.270 nan 0.000 0.489 136 A N 0.751 123.607 122.820 0.060 0.000 1.969 136 A HA 0.157 4.477 4.320 -0.001 0.000 0.218 136 A C 2.303 179.897 177.584 0.016 0.000 1.169 136 A CA 1.879 53.935 52.037 0.031 0.000 0.635 136 A CB -0.302 18.717 19.000 0.031 0.000 0.810 136 A HN 0.504 nan 8.150 nan 0.000 0.445 137 A N -0.255 122.592 122.820 0.045 0.000 1.933 137 A HA -0.198 4.122 4.320 -0.001 0.000 0.218 137 A C 1.989 179.579 177.584 0.010 0.000 1.175 137 A CA 1.726 53.780 52.037 0.028 0.000 0.628 137 A CB -0.504 18.538 19.000 0.069 0.000 0.814 137 A HN 0.666 nan 8.150 nan 0.000 0.444 138 E N 0.003 120.233 120.200 0.049 0.000 2.118 138 E HA -0.156 4.193 4.350 -0.001 0.000 0.195 138 E C 2.020 178.600 176.600 -0.033 0.000 0.992 138 E CA 1.333 57.748 56.400 0.026 0.000 0.804 138 E CB -0.065 29.649 29.700 0.023 0.000 0.741 138 E HN 0.589 nan 8.360 nan 0.000 0.458 139 S N 0.361 116.033 115.700 -0.047 0.000 2.383 139 S HA -0.094 4.375 4.470 -0.001 0.000 0.227 139 S C 1.912 176.421 174.600 -0.152 0.000 1.026 139 S CA 0.803 58.958 58.200 -0.074 0.000 0.981 139 S CB -0.119 63.050 63.200 -0.052 0.000 0.818 139 S HN 0.286 nan 8.310 nan 0.000 0.472 140 I N 1.174 121.612 120.570 -0.219 0.000 2.252 140 I HA -0.174 3.995 4.170 -0.001 0.000 0.245 140 I C 2.618 178.341 176.117 -0.657 0.000 1.102 140 I CA 1.099 62.109 61.300 -0.483 0.000 1.385 140 I CB -0.237 37.483 38.000 -0.467 0.000 1.064 140 I HN 0.155 nan 8.210 nan 0.000 0.414 141 R N 0.468 120.775 120.500 -0.323 0.000 2.091 141 R HA -0.161 4.178 4.340 -0.001 0.000 0.238 141 R C 2.439 178.700 176.300 -0.065 0.000 1.136 141 R CA 1.452 57.472 56.100 -0.133 0.000 0.959 141 R CB -0.294 29.998 30.300 -0.013 0.000 0.856 141 R HN 0.319 nan 8.270 nan 0.000 0.437 142 R N 0.191 120.644 120.500 -0.078 0.000 2.081 142 R HA -0.071 4.269 4.340 -0.001 0.000 0.235 142 R C 2.284 178.570 176.300 -0.023 0.000 1.131 142 R CA 1.388 57.468 56.100 -0.033 0.000 0.960 142 R CB -0.339 29.940 30.300 -0.035 0.000 0.856 142 R HN 0.225 nan 8.270 nan 0.000 0.436 143 I N -0.034 120.486 120.570 -0.082 0.000 2.179 143 I HA -0.290 3.879 4.170 -0.001 0.000 0.242 143 I C 2.001 178.196 176.117 0.129 0.000 1.088 143 I CA 1.569 62.854 61.300 -0.025 0.000 1.357 143 I CB -0.304 37.638 38.000 -0.097 0.000 1.051 143 I HN 0.135 nan 8.210 nan 0.000 0.409 144 F N 0.870 120.818 119.950 -0.003 0.000 2.102 144 F HA -0.252 4.275 4.527 -0.001 0.000 0.298 144 F C 2.374 178.169 175.800 -0.009 0.000 1.105 144 F CA 0.571 58.564 58.000 -0.011 0.000 1.239 144 F CB -0.371 38.617 39.000 -0.021 0.000 0.991 144 F HN 0.121 nan 8.300 nan 0.000 0.474 145 D N 0.554 121.068 120.400 0.191 0.000 2.149 145 D HA -0.146 4.493 4.640 -0.001 0.000 0.198 145 D C 2.071 178.414 176.300 0.072 0.000 0.990 145 D CA 1.237 55.299 54.000 0.103 0.000 0.839 145 D CB -0.356 40.485 40.800 0.070 0.000 0.948 145 D HN 0.220 nan 8.370 nan 0.000 0.460 146 A N -0.042 122.820 122.820 0.069 0.000 2.208 146 A HA -0.003 4.317 4.320 -0.001 0.000 0.209 146 A C 1.033 178.647 177.584 0.050 0.000 1.161 146 A CA 0.392 52.458 52.037 0.048 0.000 0.782 146 A CB 0.088 19.110 19.000 0.036 0.000 0.816 146 A HN 0.091 nan 8.150 nan 0.000 0.477 147 N N 0.213 118.955 118.700 0.070 0.000 2.599 147 N HA 0.060 4.800 4.740 -0.001 0.000 0.309 147 N C -0.347 175.184 175.510 0.036 0.000 1.743 147 N CA 0.043 53.126 53.050 0.055 0.000 0.918 147 N CB 0.810 39.341 38.487 0.074 0.000 1.339 147 N HN 0.256 nan 8.380 nan 0.000 0.493 148 T N 0.589 115.160 114.554 0.028 0.000 2.860 148 T HA 0.250 4.599 4.350 -0.001 0.000 0.299 148 T C -0.082 174.615 174.700 -0.004 0.000 1.045 148 T CA 0.414 62.519 62.100 0.008 0.000 1.071 148 T CB 0.798 69.673 68.868 0.013 0.000 0.985 148 T HN 0.149 nan 8.240 nan 0.000 0.537 149 K N 3.037 123.427 120.400 -0.018 0.000 2.482 149 K HA 0.475 4.794 4.320 -0.001 0.000 0.257 149 K C -2.858 173.732 176.600 -0.017 0.000 0.969 149 K CA -2.144 54.132 56.287 -0.018 0.000 0.842 149 K CB 1.704 34.188 32.500 -0.027 0.000 1.359 149 K HN 0.330 nan 8.250 nan 0.000 0.441 150 P HA 0.056 nan 4.420 nan 0.000 0.263 150 P C -0.748 176.544 177.300 -0.013 0.000 1.195 150 P CA 0.252 63.346 63.100 -0.010 0.000 0.762 150 P CB 0.223 31.919 31.700 -0.007 0.000 0.799 151 N N -0.818 117.876 118.700 -0.010 0.000 2.878 151 N HA -0.182 4.557 4.740 -0.001 0.000 0.247 151 N C -0.358 175.143 175.510 -0.016 0.000 1.021 151 N CA 0.561 53.606 53.050 -0.008 0.000 0.873 151 N CB -1.724 36.759 38.487 -0.006 0.000 1.128 151 N HN 0.316 nan 8.380 nan 0.000 0.571 152 L N 1.447 122.651 121.223 -0.031 0.000 2.265 152 L HA 0.548 4.887 4.340 -0.001 0.000 0.288 152 L C 0.022 176.850 176.870 -0.069 0.000 1.058 152 L CA -0.287 54.515 54.840 -0.064 0.000 0.809 152 L CB 0.898 42.906 42.059 -0.084 0.000 1.179 152 L HN 0.128 nan 8.230 nan 0.000 0.429 153 N N 5.382 124.029 118.700 -0.089 0.000 2.690 153 N HA 0.321 5.060 4.740 -0.001 0.000 0.255 153 N C -1.758 173.597 175.510 -0.259 0.000 1.195 153 N CA -0.305 52.695 53.050 -0.084 0.000 0.790 153 N CB 0.385 38.910 38.487 0.064 0.000 1.216 153 N HN 0.610 nan 8.380 nan 0.000 0.528 154 L N 2.068 123.120 121.223 -0.286 0.000 2.265 154 L HA 0.447 4.786 4.340 -0.001 0.000 0.288 154 L C 0.214 176.967 176.870 -0.196 0.000 1.058 154 L CA -0.646 53.959 54.840 -0.392 0.000 0.809 154 L CB 1.145 42.783 42.059 -0.701 0.000 1.179 154 L HN 0.220 nan 8.230 nan 0.000 0.429 155 Q N 3.114 122.764 119.800 -0.250 0.000 2.274 155 Q HA 0.504 4.843 4.340 -0.001 0.000 0.260 155 Q C -0.776 175.222 176.000 -0.003 0.000 0.974 155 Q CA -0.636 55.107 55.803 -0.100 0.000 0.876 155 Q CB 3.101 31.748 28.738 -0.151 0.000 1.297 155 Q HN 0.336 nan 8.270 nan 0.000 0.446 156 V N 4.080 124.031 119.914 0.062 0.000 2.384 156 V HA 0.486 4.606 4.120 -0.001 0.000 0.287 156 V C -0.054 176.064 176.094 0.039 0.000 1.020 156 V CA -0.501 61.847 62.300 0.079 0.000 0.850 156 V CB 1.300 33.173 31.823 0.084 0.000 0.987 156 V HN 0.558 nan 8.190 nan 0.000 0.436 157 L N 2.968 124.211 121.223 0.034 0.000 2.323 157 L HA 0.673 5.013 4.340 -0.001 0.000 0.265 157 L C 0.062 176.958 176.870 0.043 0.000 1.012 157 L CA -0.516 54.342 54.840 0.029 0.000 0.820 157 L CB 2.336 44.415 42.059 0.033 0.000 1.334 157 L HN 0.624 nan 8.230 nan 0.000 0.427 158 S N 1.421 117.140 115.700 0.031 0.000 2.451 158 S HA 0.353 4.823 4.470 -0.001 0.000 0.301 158 S C -0.586 174.044 174.600 0.051 0.000 1.116 158 S CA -0.584 57.638 58.200 0.035 0.000 1.093 158 S CB 0.570 63.773 63.200 0.007 0.000 1.017 158 S HN 0.735 nan 8.310 nan 0.000 0.482 159 N N 5.092 123.836 118.700 0.073 0.000 2.725 159 N HA 0.313 5.053 4.740 -0.001 0.000 0.248 159 N C -3.059 172.437 175.510 -0.023 0.000 1.402 159 N CA -1.520 51.580 53.050 0.082 0.000 0.766 159 N CB 1.054 39.691 38.487 0.251 0.000 1.223 159 N HN 0.344 nan 8.380 nan 0.000 0.515 160 P HA 0.064 nan 4.420 nan 0.000 0.269 160 P C -0.545 176.392 177.300 -0.606 0.000 1.209 160 P CA 0.166 63.057 63.100 -0.349 0.000 0.776 160 P CB 0.820 32.270 31.700 -0.416 0.000 0.876 161 E N 1.261 121.135 120.200 -0.543 0.000 2.231 161 E HA 0.373 4.722 4.350 -0.001 0.000 0.277 161 E C -0.909 175.312 176.600 -0.631 0.000 0.999 161 E CA -0.208 55.919 56.400 -0.455 0.000 0.827 161 E CB 0.257 29.840 29.700 -0.195 0.000 1.101 161 E HN 0.277 nan 8.360 nan 0.000 0.393 162 F N 2.687 122.633 119.950 -0.006 0.000 2.729 162 F HA 0.227 4.753 4.527 -0.001 0.000 0.315 162 F C -0.030 175.779 175.800 0.015 0.000 1.102 162 F CA -0.620 57.380 58.000 -0.002 0.000 1.204 162 F CB -0.183 38.802 39.000 -0.026 0.000 1.052 162 F HN 0.329 nan 8.300 nan 0.000 0.551 163 L N 0.525 121.833 121.223 0.142 0.000 2.483 163 L HA 0.629 4.968 4.340 -0.001 0.000 0.275 163 L C 0.065 177.000 176.870 0.108 0.000 1.220 163 L CA -0.787 54.124 54.840 0.119 0.000 0.833 163 L CB -0.108 42.008 42.059 0.096 0.000 1.102 163 L HN 0.021 nan 8.230 nan 0.000 0.490 164 A N 1.981 124.865 122.820 0.106 0.000 2.317 164 A HA 0.541 4.861 4.320 -0.001 0.000 0.327 164 A C -0.103 177.538 177.584 0.095 0.000 1.178 164 A CA -0.703 51.395 52.037 0.102 0.000 0.817 164 A CB 0.228 19.300 19.000 0.120 0.000 1.189 164 A HN 0.854 nan 8.150 nan 0.000 0.489 165 E N 0.225 120.498 120.200 0.122 0.000 2.415 165 E HA 0.360 4.710 4.350 -0.001 0.000 0.262 165 E C 1.224 177.837 176.600 0.022 0.000 1.038 165 E CA 1.200 57.676 56.400 0.126 0.000 0.921 165 E CB 0.471 30.300 29.700 0.214 0.000 0.950 165 E HN 1.267 nan 8.360 nan 0.000 0.438 166 G N 2.093 110.892 108.800 -0.001 0.000 2.336 166 G HA2 -0.324 3.635 3.960 -0.001 0.000 0.233 166 G HA3 -0.324 3.635 3.960 -0.001 0.000 0.233 166 G C 0.820 175.697 174.900 -0.038 0.000 1.053 166 G CA 0.479 45.542 45.100 -0.061 0.000 0.625 166 G HN 0.655 nan 8.290 nan 0.000 0.511 167 T N -2.114 112.439 114.554 -0.002 0.000 3.339 167 T HA 0.735 5.084 4.350 -0.001 0.000 0.292 167 T C 1.819 176.539 174.700 0.034 0.000 1.012 167 T CA 1.154 63.263 62.100 0.014 0.000 0.937 167 T CB 0.826 69.714 68.868 0.032 0.000 1.164 167 T HN 1.391 nan 8.240 nan 0.000 0.509 168 A N 2.255 125.096 122.820 0.035 0.000 1.877 168 A HA 0.066 4.386 4.320 -0.001 0.000 0.216 168 A C 2.158 179.771 177.584 0.049 0.000 1.186 168 A CA 1.156 53.228 52.037 0.058 0.000 0.620 168 A CB -0.574 18.470 19.000 0.074 0.000 0.822 168 A HN 0.494 nan 8.150 nan 0.000 0.443 169 I N 0.229 120.811 120.570 0.020 0.000 2.179 169 I HA -0.221 3.948 4.170 -0.001 0.000 0.242 169 I C 3.050 179.185 176.117 0.031 0.000 1.088 169 I CA 2.033 63.338 61.300 0.007 0.000 1.357 169 I CB -1.621 36.361 38.000 -0.029 0.000 1.051 169 I HN 0.493 nan 8.210 nan 0.000 0.409 170 K N 0.633 121.052 120.400 0.033 0.000 2.057 170 K HA -0.204 4.116 4.320 -0.001 0.000 0.207 170 K C 1.753 178.400 176.600 0.078 0.000 1.049 170 K CA 1.988 58.305 56.287 0.050 0.000 0.931 170 K CB -1.111 31.413 32.500 0.040 0.000 0.714 170 K HN 0.363 nan 8.250 nan 0.000 0.440 171 D N 0.438 120.886 120.400 0.080 0.000 2.144 171 D HA -0.065 4.574 4.640 -0.001 0.000 0.199 171 D C 1.938 178.321 176.300 0.138 0.000 0.984 171 D CA 1.072 55.131 54.000 0.099 0.000 0.834 171 D CB -0.072 40.786 40.800 0.096 0.000 0.955 171 D HN 0.414 nan 8.370 nan 0.000 0.465 172 L N 0.336 121.647 121.223 0.146 0.000 2.072 172 L HA -0.076 4.264 4.340 -0.001 0.000 0.205 172 L C 2.274 179.355 176.870 0.352 0.000 1.079 172 L CA 0.985 55.957 54.840 0.221 0.000 0.752 172 L CB -0.121 42.029 42.059 0.152 0.000 0.906 172 L HN -0.058 nan 8.230 nan 0.000 0.436 173 K N -0.411 120.125 120.400 0.226 0.000 2.228 173 K HA -0.074 4.245 4.320 -0.001 0.000 0.202 173 K C 0.494 177.308 176.600 0.356 0.000 1.051 173 K CA 0.645 57.086 56.287 0.256 0.000 0.960 173 K CB 0.017 32.575 32.500 0.095 0.000 0.743 173 K HN 0.075 nan 8.250 nan 0.000 0.458 174 N N 0.745 119.585 118.700 0.233 0.000 2.733 174 N HA 0.128 4.868 4.740 -0.001 0.000 0.271 174 N C -2.890 172.687 175.510 0.112 0.000 1.720 174 N CA -1.901 51.248 53.050 0.166 0.000 0.803 174 N CB 0.765 39.321 38.487 0.115 0.000 1.208 174 N HN -0.117 nan 8.380 nan 0.000 0.498 175 P HA 0.217 nan 4.420 nan 0.000 0.275 175 P C 0.066 177.366 177.300 -0.001 0.000 1.227 175 P CA -0.088 63.047 63.100 0.058 0.000 0.781 175 P CB 1.481 33.210 31.700 0.049 0.000 0.906 176 D N 1.205 121.587 120.400 -0.029 0.000 2.144 176 D HA -0.104 4.536 4.640 -0.001 0.000 0.199 176 D C 1.100 177.337 176.300 -0.104 0.000 0.984 176 D CA 1.703 55.659 54.000 -0.073 0.000 0.834 176 D CB 0.214 40.947 40.800 -0.111 0.000 0.955 176 D HN 0.477 nan 8.370 nan 0.000 0.465 177 R N -1.017 119.409 120.500 -0.123 0.000 2.712 177 R HA 0.462 4.801 4.340 -0.001 0.000 0.272 177 R C -1.834 174.414 176.300 -0.086 0.000 1.032 177 R CA -0.756 55.266 56.100 -0.129 0.000 0.874 177 R CB 0.715 30.913 30.300 -0.171 0.000 1.256 177 R HN -0.175 nan 8.270 nan 0.000 0.468 178 V N 1.680 121.525 119.914 -0.113 0.000 2.555 178 V HA 0.548 4.668 4.120 -0.001 0.000 0.302 178 V C -0.836 175.223 176.094 -0.057 0.000 1.038 178 V CA -0.933 61.282 62.300 -0.143 0.000 0.887 178 V CB 1.652 33.218 31.823 -0.429 0.000 0.991 178 V HN 0.651 nan 8.190 nan 0.000 0.434 179 L N 6.504 127.756 121.223 0.049 0.000 2.356 179 L HA 0.728 5.067 4.340 -0.001 0.000 0.277 179 L C -0.872 176.014 176.870 0.028 0.000 0.996 179 L CA 0.110 54.993 54.840 0.072 0.000 0.822 179 L CB 1.367 43.567 42.059 0.234 0.000 1.256 179 L HN 0.563 nan 8.230 nan 0.000 0.413 180 I N 4.125 124.702 120.570 0.012 0.000 2.545 180 I HA 0.686 4.856 4.170 -0.001 0.000 0.292 180 I C 0.155 176.264 176.117 -0.014 0.000 1.040 180 I CA -0.651 60.663 61.300 0.023 0.000 1.068 180 I CB 2.198 40.230 38.000 0.054 0.000 1.251 180 I HN 0.740 nan 8.210 nan 0.000 0.424 181 G N 3.003 111.788 108.800 -0.025 0.000 2.513 181 G HA2 0.808 4.767 3.960 -0.001 0.000 0.317 181 G HA3 0.808 4.767 3.960 -0.001 0.000 0.317 181 G C -0.801 174.052 174.900 -0.078 0.000 1.277 181 G CA -0.756 44.293 45.100 -0.085 0.000 0.955 181 G HN 0.910 nan 8.290 nan 0.000 0.484 182 G N 0.392 109.121 108.800 -0.119 0.000 2.559 182 G HA2 0.495 4.455 3.960 -0.001 0.000 0.291 182 G HA3 0.495 4.455 3.960 -0.001 0.000 0.291 182 G C -1.438 173.394 174.900 -0.113 0.000 1.424 182 G CA -0.823 44.227 45.100 -0.083 0.000 0.786 182 G HN 0.471 nan 8.290 nan 0.000 0.485 183 D N 0.320 120.689 120.400 -0.053 0.000 2.423 183 D HA 0.385 5.025 4.640 -0.001 0.000 0.238 183 D C 1.565 177.850 176.300 -0.026 0.000 1.142 183 D CA 0.740 54.724 54.000 -0.028 0.000 0.884 183 D CB 1.279 42.097 40.800 0.030 0.000 1.199 183 D HN 0.712 nan 8.370 nan 0.000 0.438 184 E N 1.033 121.224 120.200 -0.015 0.000 2.515 184 E HA -0.053 4.296 4.350 -0.001 0.000 0.201 184 E C 1.083 177.689 176.600 0.010 0.000 1.071 184 E CA 0.646 57.043 56.400 -0.006 0.000 0.880 184 E CB -0.740 28.965 29.700 0.009 0.000 0.828 184 E HN 0.566 nan 8.360 nan 0.000 0.540 185 T N -2.982 111.584 114.554 0.019 0.000 2.813 185 T HA 0.283 4.632 4.350 -0.001 0.000 0.297 185 T C -1.588 173.122 174.700 0.017 0.000 1.036 185 T CA -0.779 61.334 62.100 0.023 0.000 1.044 185 T CB 1.424 70.310 68.868 0.031 0.000 0.993 185 T HN -0.083 nan 8.240 nan 0.000 0.535 186 P HA -0.068 nan 4.420 nan 0.000 0.215 186 P C 1.660 178.970 177.300 0.016 0.000 1.153 186 P CA 0.914 64.021 63.100 0.012 0.000 0.853 186 P CB 0.086 31.791 31.700 0.008 0.000 0.788 187 E N -0.578 119.635 120.200 0.023 0.000 2.047 187 E HA -0.094 4.255 4.350 -0.001 0.000 0.191 187 E C 2.308 178.937 176.600 0.048 0.000 0.987 187 E CA 1.604 58.027 56.400 0.039 0.000 0.799 187 E CB -1.145 28.586 29.700 0.051 0.000 0.752 187 E HN 0.240 nan 8.360 nan 0.000 0.449 188 G N 1.318 110.139 108.800 0.036 0.000 2.418 188 G HA2 -0.261 3.698 3.960 -0.001 0.000 0.217 188 G HA3 -0.261 3.698 3.960 -0.001 0.000 0.217 188 G C 1.544 176.457 174.900 0.023 0.000 1.158 188 G CA 0.451 45.568 45.100 0.028 0.000 0.771 188 G HN 0.142 nan 8.290 nan 0.000 0.545 189 Q N -0.074 119.737 119.800 0.018 0.000 2.297 189 Q HA 0.102 4.441 4.340 -0.001 0.000 0.204 189 Q C 2.628 178.645 176.000 0.028 0.000 0.962 189 Q CA 0.439 56.251 55.803 0.015 0.000 0.879 189 Q CB -0.165 28.577 28.738 0.007 0.000 0.947 189 Q HN 0.472 nan 8.270 nan 0.000 0.462 190 R N -0.078 120.443 120.500 0.035 0.000 2.073 190 R HA -0.012 4.328 4.340 -0.001 0.000 0.229 190 R C 2.141 178.491 176.300 0.083 0.000 1.120 190 R CA 1.038 57.166 56.100 0.046 0.000 0.967 190 R CB -0.130 30.183 30.300 0.020 0.000 0.862 190 R HN 0.183 nan 8.270 nan 0.000 0.436 191 A N 0.530 123.404 122.820 0.090 0.000 1.877 191 A HA -0.115 4.205 4.320 -0.001 0.000 0.216 191 A C 2.296 179.932 177.584 0.086 0.000 1.186 191 A CA 1.321 53.421 52.037 0.106 0.000 0.620 191 A CB -0.631 18.407 19.000 0.064 0.000 0.822 191 A HN 0.116 nan 8.150 nan 0.000 0.443 192 V N 0.019 119.968 119.914 0.059 0.000 2.282 192 V HA -0.324 3.795 4.120 -0.001 0.000 0.249 192 V C 2.799 178.934 176.094 0.068 0.000 1.057 192 V CA 2.533 64.865 62.300 0.054 0.000 1.032 192 V CB -0.766 31.073 31.823 0.027 0.000 0.645 192 V HN 0.717 nan 8.190 nan 0.000 0.447 193 Q N 0.175 120.013 119.800 0.063 0.000 2.167 193 Q HA -0.080 4.259 4.340 -0.001 0.000 0.202 193 Q C 2.097 178.146 176.000 0.081 0.000 0.970 193 Q CA 1.937 57.776 55.803 0.060 0.000 0.855 193 Q CB -0.603 28.163 28.738 0.046 0.000 0.911 193 Q HN 0.610 nan 8.270 nan 0.000 0.438 194 A N -0.008 122.885 122.820 0.121 0.000 1.902 194 A HA -0.143 4.176 4.320 -0.001 0.000 0.217 194 A C 1.963 179.615 177.584 0.115 0.000 1.181 194 A CA 1.516 53.650 52.037 0.163 0.000 0.623 194 A CB -0.739 18.455 19.000 0.323 0.000 0.818 194 A HN 0.454 nan 8.150 nan 0.000 0.443 195 L N -0.517 120.769 121.223 0.104 0.000 2.072 195 L HA -0.088 4.252 4.340 -0.001 0.000 0.205 195 L C 2.471 179.417 176.870 0.126 0.000 1.079 195 L CA 1.764 56.657 54.840 0.088 0.000 0.752 195 L CB -0.865 41.267 42.059 0.121 0.000 0.906 195 L HN 0.464 nan 8.230 nan 0.000 0.436 196 C N -0.390 118.991 119.300 0.136 0.000 2.401 196 C HA -0.201 4.258 4.460 -0.001 0.000 0.276 196 C C 2.997 178.032 174.990 0.076 0.000 1.233 196 C CA 0.813 59.908 59.018 0.129 0.000 1.753 196 C CB -1.590 26.190 27.740 0.067 0.000 2.029 196 C HN 0.704 nan 8.230 nan 0.000 0.478 197 A N -0.005 122.843 122.820 0.047 0.000 1.978 197 A HA -0.107 4.212 4.320 -0.001 0.000 0.220 197 A C 2.252 179.880 177.584 0.074 0.000 1.170 197 A CA 2.151 54.196 52.037 0.015 0.000 0.636 197 A CB -0.620 18.391 19.000 0.018 0.000 0.810 197 A HN 0.405 nan 8.150 nan 0.000 0.448 198 V N -1.618 118.350 119.914 0.090 0.000 2.270 198 V HA -0.285 3.835 4.120 -0.001 0.000 0.245 198 V C 2.319 178.468 176.094 0.092 0.000 1.043 198 V CA 2.000 64.383 62.300 0.138 0.000 1.014 198 V CB -1.064 30.696 31.823 -0.105 0.000 0.645 198 V HN 0.703 nan 8.190 nan 0.000 0.447 199 Y N 0.369 120.641 120.300 -0.046 0.000 2.293 199 Y HA -0.149 4.400 4.550 -0.001 0.000 0.291 199 Y C 2.532 178.143 175.900 -0.482 0.000 1.137 199 Y CA 1.240 59.025 58.100 -0.525 0.000 1.202 199 Y CB -0.164 38.039 38.460 -0.429 0.000 0.990 199 Y HN 0.309 nan 8.280 nan 0.000 0.537 200 E N -0.755 119.405 120.200 -0.067 0.000 2.401 200 E HA -0.199 4.150 4.350 -0.001 0.000 0.199 200 E C 1.301 177.865 176.600 -0.059 0.000 1.023 200 E CA 0.702 57.048 56.400 -0.091 0.000 0.859 200 E CB -0.170 29.475 29.700 -0.091 0.000 0.780 200 E HN 0.665 nan 8.360 nan 0.000 0.523 201 H N -1.178 117.930 119.070 0.063 0.000 2.422 201 H HA -0.167 4.388 4.556 -0.001 0.000 0.298 201 H C 1.389 176.912 175.328 0.325 0.000 1.098 201 H CA 1.977 58.148 56.048 0.204 0.000 1.315 201 H CB -0.021 29.930 29.762 0.315 0.000 1.382 201 H HN 0.499 nan 8.280 nan 0.000 0.523 202 W N -2.209 119.196 121.300 0.176 0.000 2.121 202 W HA 0.426 5.086 4.660 -0.001 0.000 0.275 202 W C -1.371 175.213 176.519 0.109 0.000 0.903 202 W CA -0.176 57.244 57.345 0.124 0.000 1.253 202 W CB 0.373 29.907 29.460 0.123 0.000 1.016 202 W HN -0.313 nan 8.180 nan 0.000 0.537 203 V N 4.028 123.721 119.914 -0.368 0.000 2.370 203 V HA 0.403 4.523 4.120 -0.001 0.000 0.283 203 V C -1.921 174.088 176.094 -0.141 0.000 1.023 203 V CA -2.106 60.010 62.300 -0.306 0.000 0.857 203 V CB 1.174 32.714 31.823 -0.471 0.000 0.985 203 V HN -0.258 nan 8.190 nan 0.000 0.443 204 P HA 0.054 nan 4.420 nan 0.000 0.264 204 P C 0.607 177.867 177.300 -0.067 0.000 1.183 204 P CA -0.093 62.976 63.100 -0.052 0.000 0.763 204 P CB 0.574 32.254 31.700 -0.034 0.000 0.807 205 R N 4.297 124.764 120.500 -0.054 0.000 2.159 205 R HA -0.185 4.154 4.340 -0.001 0.000 0.237 205 R C 2.193 178.463 176.300 -0.050 0.000 1.131 205 R CA 2.376 58.445 56.100 -0.051 0.000 0.982 205 R CB -1.420 28.856 30.300 -0.040 0.000 0.868 205 R HN 0.572 nan 8.270 nan 0.000 0.453 206 E N 0.864 121.036 120.200 -0.046 0.000 2.265 206 E HA -0.151 4.199 4.350 -0.001 0.000 0.196 206 E C 1.588 178.154 176.600 -0.057 0.000 0.996 206 E CA 1.654 58.027 56.400 -0.045 0.000 0.832 206 E CB -0.517 29.161 29.700 -0.038 0.000 0.756 206 E HN 0.595 nan 8.360 nan 0.000 0.491 207 K N -0.857 119.503 120.400 -0.068 0.000 2.404 207 K HA 0.293 4.613 4.320 -0.001 0.000 0.194 207 K C 0.097 176.637 176.600 -0.100 0.000 1.023 207 K CA -0.134 56.103 56.287 -0.084 0.000 1.094 207 K CB 0.406 32.855 32.500 -0.085 0.000 0.841 207 K HN 0.361 nan 8.250 nan 0.000 0.523 208 I N 2.557 123.073 120.570 -0.090 0.000 2.297 208 I HA 0.149 4.318 4.170 -0.001 0.000 0.291 208 I C -0.275 175.804 176.117 -0.064 0.000 1.033 208 I CA -0.509 60.738 61.300 -0.089 0.000 1.253 208 I CB 0.710 38.666 38.000 -0.073 0.000 1.396 208 I HN -0.108 nan 8.210 nan 0.000 0.476 209 L N 6.365 127.551 121.223 -0.063 0.000 2.334 209 L HA 0.502 4.841 4.340 -0.001 0.000 0.277 209 L C 0.424 177.272 176.870 -0.038 0.000 1.075 209 L CA -0.352 54.457 54.840 -0.051 0.000 0.804 209 L CB 1.621 43.646 42.059 -0.057 0.000 1.174 209 L HN 0.617 nan 8.230 nan 0.000 0.438 210 T N -1.170 113.360 114.554 -0.040 0.000 2.876 210 T HA 0.720 5.070 4.350 -0.001 0.000 0.289 210 T C -0.433 174.231 174.700 -0.061 0.000 1.014 210 T CA -0.591 61.485 62.100 -0.040 0.000 0.986 210 T CB 2.452 71.303 68.868 -0.028 0.000 1.021 210 T HN 0.676 nan 8.240 nan 0.000 0.458 211 T N 1.049 115.552 114.554 -0.086 0.000 2.647 211 T HA 0.478 4.827 4.350 -0.001 0.000 0.302 211 T C -1.292 173.281 174.700 -0.211 0.000 1.389 211 T CA -0.549 61.470 62.100 -0.134 0.000 1.037 211 T CB 0.691 69.479 68.868 -0.133 0.000 1.755 211 T HN 1.024 nan 8.240 nan 0.000 0.467 212 N N 0.065 118.551 118.700 -0.358 0.000 2.434 212 N HA 0.286 5.025 4.740 -0.001 0.000 0.266 212 N C 1.317 176.468 175.510 -0.599 0.000 1.223 212 N CA 0.374 53.057 53.050 -0.612 0.000 0.972 212 N CB 0.243 38.068 38.487 -1.103 0.000 1.207 212 N HN 0.746 nan 8.380 nan 0.000 0.525 213 T N -3.183 111.022 114.554 -0.580 0.000 2.821 213 T HA -0.151 4.198 4.350 -0.001 0.000 0.267 213 T C 1.381 176.007 174.700 -0.123 0.000 1.046 213 T CA 1.309 63.269 62.100 -0.233 0.000 1.139 213 T CB -0.745 68.096 68.868 -0.044 0.000 0.871 213 T HN 0.790 nan 8.240 nan 0.000 0.454 214 W N 1.954 123.260 121.300 0.009 0.000 2.418 214 W HA 0.271 4.931 4.660 -0.001 0.000 0.292 214 W C 2.202 178.727 176.519 0.009 0.000 1.213 214 W CA 0.498 57.847 57.345 0.007 0.000 1.283 214 W CB -0.805 28.657 29.460 0.004 0.000 1.119 214 W HN 0.093 nan 8.180 nan 0.000 0.542 215 S N 0.747 116.355 115.700 -0.153 0.000 2.382 215 S HA -0.275 4.195 4.470 -0.001 0.000 0.228 215 S C 2.024 176.605 174.600 -0.031 0.000 1.027 215 S CA 1.708 59.877 58.200 -0.052 0.000 0.991 215 S CB -0.875 62.245 63.200 -0.133 0.000 0.823 215 S HN 0.446 nan 8.310 nan 0.000 0.469 216 S N 1.453 117.111 115.700 -0.071 0.000 2.348 216 S HA -0.167 4.302 4.470 -0.001 0.000 0.221 216 S C 1.814 176.428 174.600 0.023 0.000 1.033 216 S CA 1.359 59.548 58.200 -0.018 0.000 1.010 216 S CB -0.364 62.812 63.200 -0.041 0.000 0.891 216 S HN 0.565 nan 8.310 nan 0.000 0.442 217 E N 0.295 120.513 120.200 0.031 0.000 2.085 217 E HA -0.159 4.191 4.350 -0.001 0.000 0.194 217 E C 2.055 178.686 176.600 0.051 0.000 0.994 217 E CA 1.381 57.809 56.400 0.047 0.000 0.801 217 E CB -0.276 29.470 29.700 0.077 0.000 0.743 217 E HN 0.404 nan 8.360 nan 0.000 0.453 218 L N 0.710 121.972 121.223 0.066 0.000 2.056 218 L HA -0.106 4.234 4.340 -0.001 0.000 0.207 218 L C 2.094 178.985 176.870 0.035 0.000 1.078 218 L CA 1.649 56.521 54.840 0.053 0.000 0.749 218 L CB -0.385 41.719 42.059 0.076 0.000 0.901 218 L HN -0.080 nan 8.230 nan 0.000 0.433 219 S N -0.263 115.463 115.700 0.043 0.000 2.370 219 S HA -0.235 4.234 4.470 -0.001 0.000 0.226 219 S C 1.938 176.598 174.600 0.101 0.000 1.033 219 S CA 1.588 59.814 58.200 0.044 0.000 1.011 219 S CB -0.357 62.873 63.200 0.050 0.000 0.852 219 S HN 0.390 nan 8.310 nan 0.000 0.457 220 K N 1.861 122.344 120.400 0.139 0.000 2.026 220 K HA 0.053 4.372 4.320 -0.001 0.000 0.208 220 K C 1.830 178.485 176.600 0.091 0.000 1.048 220 K CA 1.336 57.728 56.287 0.176 0.000 0.929 220 K CB -0.773 31.737 32.500 0.016 0.000 0.713 220 K HN 0.337 nan 8.250 nan 0.000 0.439 221 L N 0.044 121.282 121.223 0.025 0.000 2.017 221 L HA -0.119 4.221 4.340 -0.001 0.000 0.208 221 L C 2.517 179.331 176.870 -0.093 0.000 1.073 221 L CA 1.331 56.153 54.840 -0.031 0.000 0.745 221 L CB -0.743 41.288 42.059 -0.046 0.000 0.894 221 L HN 0.286 nan 8.230 nan 0.000 0.432 222 A N 0.165 122.941 122.820 -0.074 0.000 1.908 222 A HA -0.203 4.117 4.320 -0.001 0.000 0.218 222 A C 2.559 180.149 177.584 0.009 0.000 1.181 222 A CA 1.845 53.840 52.037 -0.071 0.000 0.627 222 A CB -0.766 18.234 19.000 0.000 0.000 0.818 222 A HN 0.409 nan 8.150 nan 0.000 0.445 223 A N 0.186 123.000 122.820 -0.011 0.000 1.883 223 A HA -0.245 4.075 4.320 -0.001 0.000 0.217 223 A C 1.944 179.521 177.584 -0.011 0.000 1.186 223 A CA 2.119 54.139 52.037 -0.029 0.000 0.624 223 A CB -0.709 18.294 19.000 0.005 0.000 0.822 223 A HN 0.535 nan 8.150 nan 0.000 0.444 224 N N 0.046 118.744 118.700 -0.003 0.000 2.244 224 N HA -0.024 4.715 4.740 -0.001 0.000 0.183 224 N C 1.801 177.091 175.510 -0.367 0.000 1.016 224 N CA 1.411 54.404 53.050 -0.094 0.000 0.866 224 N CB -0.503 38.043 38.487 0.099 0.000 0.980 224 N HN 0.470 nan 8.380 nan 0.000 0.430 225 A N -0.006 122.649 122.820 -0.275 0.000 1.877 225 A HA -0.078 4.242 4.320 -0.001 0.000 0.216 225 A C 1.985 179.498 177.584 -0.119 0.000 1.186 225 A CA 0.957 52.768 52.037 -0.376 0.000 0.620 225 A CB -0.916 17.533 19.000 -0.917 0.000 0.822 225 A HN 0.191 nan 8.150 nan 0.000 0.443 226 F N 0.021 119.887 119.950 -0.140 0.000 2.134 226 F HA -0.139 4.387 4.527 -0.001 0.000 0.299 226 F C 2.154 177.900 175.800 -0.091 0.000 1.097 226 F CA 1.553 59.570 58.000 0.029 0.000 1.264 226 F CB -0.473 38.531 39.000 0.007 0.000 1.001 226 F HN 0.099 nan 8.300 nan 0.000 0.479 227 L N -0.726 120.450 121.223 -0.079 0.000 1.994 227 L HA -0.225 4.114 4.340 -0.001 0.000 0.208 227 L C 2.730 179.438 176.870 -0.270 0.000 1.071 227 L CA 1.339 56.044 54.840 -0.225 0.000 0.745 227 L CB -1.129 40.716 42.059 -0.357 0.000 0.892 227 L HN 0.114 nan 8.230 nan 0.000 0.431 228 A N -0.659 121.675 122.820 -0.810 0.000 1.940 228 A HA -0.306 4.014 4.320 -0.001 0.000 0.219 228 A C 2.268 179.716 177.584 -0.227 0.000 1.176 228 A CA 1.993 53.499 52.037 -0.885 0.000 0.631 228 A CB -0.663 17.601 19.000 -1.228 0.000 0.814 228 A HN 0.532 nan 8.150 nan 0.000 0.446 229 Q N -0.520 119.230 119.800 -0.084 0.000 2.124 229 Q HA -0.201 4.139 4.340 -0.001 0.000 0.202 229 Q C 2.241 178.265 176.000 0.041 0.000 0.977 229 Q CA 1.566 57.382 55.803 0.021 0.000 0.850 229 Q CB -0.098 28.663 28.738 0.038 0.000 0.901 229 Q HN 0.692 nan 8.270 nan 0.000 0.429 230 R N -0.153 120.393 120.500 0.077 0.000 2.096 230 R HA -0.103 4.236 4.340 -0.001 0.000 0.235 230 R C 2.283 178.668 176.300 0.143 0.000 1.127 230 R CA 1.540 57.716 56.100 0.127 0.000 0.968 230 R CB -0.228 30.191 30.300 0.197 0.000 0.861 230 R HN 0.355 nan 8.270 nan 0.000 0.440 231 I N -0.049 120.628 120.570 0.178 0.000 2.202 231 I HA -0.236 3.933 4.170 -0.001 0.000 0.242 231 I C 2.209 178.437 176.117 0.185 0.000 1.091 231 I CA 1.145 62.557 61.300 0.188 0.000 1.368 231 I CB -0.242 37.925 38.000 0.278 0.000 1.058 231 I HN 0.056 nan 8.210 nan 0.000 0.410 232 S N 0.300 116.135 115.700 0.224 0.000 2.382 232 S HA -0.167 4.303 4.470 -0.001 0.000 0.228 232 S C 2.237 176.887 174.600 0.084 0.000 1.027 232 S CA 1.651 59.951 58.200 0.167 0.000 0.991 232 S CB -0.170 63.139 63.200 0.182 0.000 0.823 232 S HN 0.372 nan 8.310 nan 0.000 0.469 233 S N 1.242 116.977 115.700 0.059 0.000 2.356 233 S HA -0.043 4.426 4.470 -0.001 0.000 0.223 233 S C 1.822 176.447 174.600 0.041 0.000 1.032 233 S CA 0.995 59.211 58.200 0.028 0.000 1.005 233 S CB -0.355 62.853 63.200 0.012 0.000 0.867 233 S HN 0.388 nan 8.310 nan 0.000 0.449 234 I N 2.766 123.369 120.570 0.056 0.000 2.394 234 I HA -0.114 4.055 4.170 -0.001 0.000 0.251 234 I C 1.615 177.757 176.117 0.042 0.000 1.136 234 I CA 1.134 62.463 61.300 0.047 0.000 1.425 234 I CB -0.433 37.596 38.000 0.049 0.000 1.079 234 I HN 0.120 nan 8.210 nan 0.000 0.425 235 N N 0.119 118.848 118.700 0.049 0.000 2.188 235 N HA -0.156 4.584 4.740 -0.001 0.000 0.184 235 N C 2.132 177.678 175.510 0.058 0.000 1.018 235 N CA 1.532 54.606 53.050 0.039 0.000 0.858 235 N CB -0.521 37.985 38.487 0.031 0.000 0.989 235 N HN 0.547 nan 8.380 nan 0.000 0.426 236 S N 0.730 116.472 115.700 0.070 0.000 2.382 236 S HA -0.066 4.404 4.470 -0.001 0.000 0.228 236 S C 1.870 176.508 174.600 0.064 0.000 1.027 236 S CA 0.660 58.910 58.200 0.082 0.000 0.991 236 S CB -0.285 62.942 63.200 0.044 0.000 0.823 236 S HN 0.080 nan 8.310 nan 0.000 0.469 237 I N 3.257 123.853 120.570 0.043 0.000 2.439 237 I HA -0.073 4.096 4.170 -0.001 0.000 0.251 237 I C 2.971 179.111 176.117 0.038 0.000 1.139 237 I CA 1.359 62.680 61.300 0.035 0.000 1.438 237 I CB -1.916 36.100 38.000 0.027 0.000 1.085 237 I HN 0.630 nan 8.210 nan 0.000 0.427 238 S N 1.720 117.443 115.700 0.038 0.000 2.383 238 S HA -0.156 4.314 4.470 -0.001 0.000 0.229 238 S C 2.265 176.892 174.600 0.046 0.000 1.030 238 S CA 1.188 59.409 58.200 0.035 0.000 1.002 238 S CB -0.530 62.684 63.200 0.024 0.000 0.829 238 S HN 0.383 nan 8.310 nan 0.000 0.467 239 A N 1.664 124.522 122.820 0.063 0.000 1.898 239 A HA 0.184 4.504 4.320 -0.001 0.000 0.216 239 A C 2.350 179.977 177.584 0.072 0.000 1.181 239 A CA 1.343 53.431 52.037 0.085 0.000 0.620 239 A CB -0.820 18.283 19.000 0.171 0.000 0.819 239 A HN 0.548 nan 8.150 nan 0.000 0.442 240 L N -0.941 120.318 121.223 0.059 0.000 2.093 240 L HA -0.215 4.124 4.340 -0.001 0.000 0.208 240 L C 2.680 179.570 176.870 0.034 0.000 1.085 240 L CA 1.072 55.937 54.840 0.042 0.000 0.755 240 L CB -0.441 41.636 42.059 0.031 0.000 0.904 240 L HN 0.503 nan 8.230 nan 0.000 0.435 241 C N -0.049 119.271 119.300 0.033 0.000 2.413 241 C HA -0.171 4.288 4.460 -0.001 0.000 0.276 241 C C 2.593 177.602 174.990 0.032 0.000 1.236 241 C CA 0.817 59.852 59.018 0.028 0.000 1.735 241 C CB -0.774 26.981 27.740 0.025 0.000 2.031 241 C HN 0.528 nan 8.230 nan 0.000 0.474 242 E N 0.910 121.134 120.200 0.040 0.000 2.085 242 E HA -0.197 4.152 4.350 -0.001 0.000 0.194 242 E C 2.271 178.895 176.600 0.040 0.000 0.994 242 E CA 1.540 57.967 56.400 0.044 0.000 0.801 242 E CB -0.267 29.465 29.700 0.052 0.000 0.743 242 E HN 0.692 nan 8.360 nan 0.000 0.453 243 A N 0.736 123.579 122.820 0.040 0.000 2.066 243 A HA -0.088 4.231 4.320 -0.001 0.000 0.218 243 A C 2.201 179.801 177.584 0.027 0.000 1.157 243 A CA 1.610 53.668 52.037 0.035 0.000 0.670 243 A CB -0.315 18.707 19.000 0.037 0.000 0.804 243 A HN 0.355 nan 8.150 nan 0.000 0.453 244 T N -5.728 108.841 114.554 0.025 0.000 3.044 244 T HA 0.431 4.780 4.350 -0.001 0.000 0.260 244 T C 1.240 175.951 174.700 0.018 0.000 1.019 244 T CA 1.026 63.138 62.100 0.020 0.000 0.921 244 T CB 0.303 69.181 68.868 0.017 0.000 1.053 244 T HN 1.606 nan 8.240 nan 0.000 0.533 245 G N 1.299 110.112 108.800 0.021 0.000 2.143 245 G HA2 0.003 3.963 3.960 -0.001 0.000 0.248 245 G HA3 0.003 3.963 3.960 -0.001 0.000 0.248 245 G C 0.281 175.190 174.900 0.014 0.000 0.991 245 G CA -0.027 45.084 45.100 0.019 0.000 0.689 245 G HN 1.163 nan 8.290 nan 0.000 0.522 246 A N -0.700 122.129 122.820 0.015 0.000 2.252 246 A HA 0.701 5.021 4.320 -0.001 0.000 0.305 246 A C -0.004 177.585 177.584 0.009 0.000 1.097 246 A CA 0.266 52.309 52.037 0.011 0.000 0.849 246 A CB 0.960 19.967 19.000 0.012 0.000 1.142 246 A HN 0.481 nan 8.150 nan 0.000 0.499 247 D N 0.132 120.534 120.400 0.003 0.000 2.391 247 D HA 0.274 4.914 4.640 -0.001 0.000 0.245 247 D C 0.613 176.914 176.300 0.001 0.000 1.069 247 D CA -0.365 53.633 54.000 -0.002 0.000 0.831 247 D CB 1.790 42.580 40.800 -0.017 0.000 1.204 247 D HN 0.133 nan 8.370 nan 0.000 0.503 248 V N 4.409 124.326 119.914 0.005 0.000 2.490 248 V HA -0.143 3.977 4.120 -0.001 0.000 0.250 248 V C 1.772 177.869 176.094 0.005 0.000 1.061 248 V CA 1.720 64.025 62.300 0.009 0.000 1.064 248 V CB -0.177 31.654 31.823 0.013 0.000 0.670 248 V HN 0.535 nan 8.190 nan 0.000 0.461 249 E N 0.003 120.201 120.200 -0.003 0.000 2.072 249 E HA -0.222 4.127 4.350 -0.001 0.000 0.191 249 E C 2.136 178.735 176.600 -0.002 0.000 0.985 249 E CA 1.678 58.075 56.400 -0.005 0.000 0.801 249 E CB -0.175 29.515 29.700 -0.016 0.000 0.750 249 E HN 0.759 nan 8.360 nan 0.000 0.452 250 E N 0.399 120.596 120.200 -0.004 0.000 2.072 250 E HA -0.094 4.256 4.350 -0.001 0.000 0.190 250 E C 2.268 178.871 176.600 0.005 0.000 0.982 250 E CA 0.837 57.236 56.400 -0.001 0.000 0.803 250 E CB 0.054 29.751 29.700 -0.005 0.000 0.755 250 E HN 0.006 nan 8.360 nan 0.000 0.453 251 V N 1.593 121.511 119.914 0.007 0.000 2.343 251 V HA -0.270 3.849 4.120 -0.001 0.000 0.247 251 V C 2.371 178.474 176.094 0.015 0.000 1.051 251 V CA 1.805 64.112 62.300 0.011 0.000 1.036 251 V CB -0.734 31.096 31.823 0.012 0.000 0.654 251 V HN 0.313 nan 8.190 nan 0.000 0.451 252 A N -0.215 122.614 122.820 0.015 0.000 1.940 252 A HA -0.248 4.071 4.320 -0.001 0.000 0.219 252 A C 2.399 179.996 177.584 0.022 0.000 1.176 252 A CA 2.602 54.651 52.037 0.021 0.000 0.631 252 A CB -0.948 18.064 19.000 0.020 0.000 0.814 252 A HN 0.511 nan 8.150 nan 0.000 0.446 253 T N 0.108 114.672 114.554 0.016 0.000 2.777 253 T HA 0.031 4.381 4.350 -0.001 0.000 0.266 253 T C 2.255 176.965 174.700 0.016 0.000 1.040 253 T CA 1.480 63.589 62.100 0.016 0.000 1.141 253 T CB -0.444 68.430 68.868 0.011 0.000 0.868 253 T HN 0.606 nan 8.240 nan 0.000 0.444 254 A N 1.233 124.062 122.820 0.014 0.000 1.883 254 A HA -0.050 4.269 4.320 -0.001 0.000 0.217 254 A C 2.283 179.877 177.584 0.017 0.000 1.186 254 A CA 1.320 53.365 52.037 0.014 0.000 0.624 254 A CB -0.836 18.171 19.000 0.012 0.000 0.822 254 A HN 0.507 nan 8.150 nan 0.000 0.444 255 I N -0.374 120.208 120.570 0.020 0.000 2.127 255 I HA -0.224 3.946 4.170 -0.001 0.000 0.241 255 I C 2.707 178.840 176.117 0.028 0.000 1.075 255 I CA 1.337 62.651 61.300 0.024 0.000 1.334 255 I CB -0.701 37.316 38.000 0.027 0.000 1.040 255 I HN 0.402 nan 8.210 nan 0.000 0.405 256 G N 0.212 109.031 108.800 0.031 0.000 2.470 256 G HA2 -0.211 3.748 3.960 -0.001 0.000 0.220 256 G HA3 -0.211 3.748 3.960 -0.001 0.000 0.220 256 G C 1.679 176.596 174.900 0.028 0.000 1.121 256 G CA 0.350 45.471 45.100 0.035 0.000 0.766 256 G HN 0.273 nan 8.290 nan 0.000 0.553 257 M N 0.444 120.058 119.600 0.023 0.000 2.557 257 M HA 0.047 4.526 4.480 -0.001 0.000 0.259 257 M C 0.512 176.822 176.300 0.017 0.000 1.086 257 M CA 0.229 55.540 55.300 0.019 0.000 1.096 257 M CB 0.131 32.740 32.600 0.015 0.000 1.424 257 M HN -0.012 nan 8.290 nan 0.000 0.488 258 D N 1.304 121.715 120.400 0.019 0.000 2.346 258 D HA -0.011 4.628 4.640 -0.001 0.000 0.260 258 D C 0.689 177.001 176.300 0.020 0.000 1.252 258 D CA 0.436 54.447 54.000 0.018 0.000 0.895 258 D CB 0.800 41.612 40.800 0.020 0.000 1.097 258 D HN 0.318 nan 8.370 nan 0.000 0.489 259 Q N 2.682 122.491 119.800 0.016 0.000 2.364 259 Q HA -0.131 4.209 4.340 -0.001 0.000 0.209 259 Q C 1.589 177.597 176.000 0.014 0.000 0.977 259 Q CA 0.924 56.736 55.803 0.014 0.000 0.885 259 Q CB 0.309 29.052 28.738 0.009 0.000 0.941 259 Q HN 0.437 nan 8.270 nan 0.000 0.464 260 R N -0.188 120.322 120.500 0.017 0.000 2.153 260 R HA 0.011 4.351 4.340 -0.001 0.000 0.218 260 R C 1.908 178.227 176.300 0.030 0.000 1.072 260 R CA 0.828 56.940 56.100 0.020 0.000 0.990 260 R CB 0.069 30.381 30.300 0.020 0.000 0.889 260 R HN 0.255 nan 8.270 nan 0.000 0.452 261 I N -0.238 120.352 120.570 0.033 0.000 2.429 261 I HA 0.089 4.258 4.170 -0.001 0.000 0.247 261 I C 0.975 177.120 176.117 0.047 0.000 1.099 261 I CA 0.617 61.944 61.300 0.044 0.000 1.422 261 I CB -0.257 37.768 38.000 0.042 0.000 1.112 261 I HN 0.283 nan 8.210 nan 0.000 0.430 262 G N 2.238 111.061 108.800 0.038 0.000 2.733 262 G HA2 -0.239 3.721 3.960 -0.001 0.000 0.686 262 G HA3 -0.239 3.721 3.960 -0.001 0.000 0.686 262 G C -0.099 174.832 174.900 0.052 0.000 1.373 262 G CA 0.025 45.148 45.100 0.039 0.000 0.838 262 G HN 0.483 nan 8.290 nan 0.000 0.588 263 N N -0.820 117.912 118.700 0.054 0.000 2.203 263 N HA 0.148 4.887 4.740 -0.001 0.000 0.207 263 N C 0.366 175.929 175.510 0.087 0.000 1.130 263 N CA 0.081 53.167 53.050 0.061 0.000 0.861 263 N CB 0.530 39.044 38.487 0.045 0.000 1.005 263 N HN 0.545 nan 8.380 nan 0.000 0.507 264 K N 0.248 120.717 120.400 0.115 0.000 2.087 264 K HA 0.252 4.571 4.320 -0.001 0.000 0.255 264 K C -0.232 176.555 176.600 0.312 0.000 0.988 264 K CA -0.803 55.602 56.287 0.195 0.000 0.915 264 K CB 0.302 32.911 32.500 0.181 0.000 1.043 264 K HN 0.012 nan 8.250 nan 0.000 0.457 265 F N 0.181 120.159 119.950 0.047 0.000 3.090 265 F HA -0.217 4.309 4.527 -0.001 0.000 0.282 265 F C 0.277 176.110 175.800 0.055 0.000 0.923 265 F CA 0.390 58.426 58.000 0.061 0.000 0.977 265 F CB -1.457 37.586 39.000 0.072 0.000 0.954 265 F HN 0.405 nan 8.300 nan 0.000 0.695 266 L N -0.387 120.905 121.223 0.115 0.000 3.141 266 L HA 0.187 4.527 4.340 -0.001 0.000 0.267 266 L C 0.557 177.437 176.870 0.018 0.000 1.281 266 L CA -0.096 54.785 54.840 0.068 0.000 1.037 266 L CB 0.293 42.395 42.059 0.071 0.000 1.407 266 L HN -0.015 nan 8.230 nan 0.000 0.566 267 K N 1.697 122.080 120.400 -0.029 0.000 2.268 267 K HA 0.518 4.837 4.320 -0.001 0.000 0.276 267 K C 0.418 176.992 176.600 -0.044 0.000 1.080 267 K CA -0.278 55.981 56.287 -0.046 0.000 0.910 267 K CB 1.600 34.050 32.500 -0.083 0.000 1.163 267 K HN 0.179 nan 8.250 nan 0.000 0.465 268 A N 2.436 125.242 122.820 -0.022 0.000 2.507 268 A HA 0.317 4.636 4.320 -0.001 0.000 0.235 268 A C 0.176 177.730 177.584 -0.050 0.000 1.070 268 A CA 0.151 52.175 52.037 -0.022 0.000 0.768 268 A CB 0.185 19.179 19.000 -0.009 0.000 1.011 268 A HN 0.771 nan 8.150 nan 0.000 0.502 269 S N -0.277 115.380 115.700 -0.072 0.000 2.636 269 S HA 0.353 4.823 4.470 -0.001 0.000 0.268 269 S C 0.420 174.897 174.600 -0.205 0.000 1.159 269 S CA 0.094 58.218 58.200 -0.128 0.000 0.815 269 S CB 0.791 63.931 63.200 -0.100 0.000 1.130 269 S HN 1.751 nan 8.310 nan 0.000 0.471 270 V N 0.606 120.318 119.914 -0.336 0.000 2.594 270 V HA 0.394 4.513 4.120 -0.001 0.000 0.253 270 V C 0.955 176.887 176.094 -0.269 0.000 1.069 270 V CA 2.408 64.429 62.300 -0.464 0.000 1.082 270 V CB -0.381 31.027 31.823 -0.692 0.000 0.680 270 V HN 1.846 nan 8.190 nan 0.000 0.469 271 G N -0.850 107.830 108.800 -0.199 0.000 2.368 271 G HA2 0.271 4.231 3.960 -0.001 0.000 0.303 271 G HA3 0.271 4.231 3.960 -0.001 0.000 0.303 271 G C -0.847 173.983 174.900 -0.116 0.000 1.590 271 G CA -0.436 44.532 45.100 -0.218 0.000 0.938 271 G HN 0.708 nan 8.290 nan 0.000 0.675 272 F N 0.869 120.830 119.950 0.019 0.000 2.471 272 F HA 0.784 5.310 4.527 -0.001 0.000 0.353 272 F C 0.729 176.572 175.800 0.071 0.000 1.113 272 F CA -0.392 57.663 58.000 0.090 0.000 1.262 272 F CB 0.892 40.038 39.000 0.244 0.000 1.146 272 F HN 0.721 nan 8.300 nan 0.000 0.578 273 G N 0.137 109.143 108.800 0.344 0.000 3.212 273 G HA2 0.697 4.656 3.960 -0.001 0.000 0.188 273 G HA3 0.697 4.656 3.960 -0.001 0.000 0.188 273 G C -0.316 174.591 174.900 0.010 0.000 1.254 273 G CA -0.765 44.455 45.100 0.201 0.000 0.957 273 G HN 1.662 nan 8.290 nan 0.000 0.596 274 G N -1.815 106.649 108.800 -0.560 0.000 2.675 274 G HA2 0.262 4.221 3.960 -0.001 0.000 0.686 274 G HA3 0.262 4.221 3.960 -0.001 0.000 0.686 274 G C 0.931 175.452 174.900 -0.632 0.000 1.215 274 G CA 0.586 44.867 45.100 -1.366 0.000 0.777 274 G HN 1.861 nan 8.290 nan 0.000 0.638 275 S N -1.359 113.968 115.700 -0.623 0.000 2.442 275 S HA -0.102 4.367 4.470 -0.001 0.000 0.236 275 S C 2.046 176.541 174.600 -0.175 0.000 1.007 275 S CA 2.410 60.425 58.200 -0.308 0.000 0.965 275 S CB -0.217 62.820 63.200 -0.272 0.000 0.773 275 S HN 1.214 nan 8.310 nan 0.000 0.504 276 C N -0.412 118.770 119.300 -0.197 0.000 2.563 276 C HA 0.461 4.921 4.460 -0.001 0.000 0.346 276 C C 2.195 177.248 174.990 0.105 0.000 1.334 276 C CA -0.497 58.486 59.018 -0.057 0.000 1.938 276 C CB -1.239 26.459 27.740 -0.070 0.000 2.445 276 C HN 0.475 nan 8.230 nan 0.000 0.541 277 F N 1.997 121.915 119.950 -0.053 0.000 2.075 277 F HA -0.164 4.362 4.527 -0.001 0.000 0.297 277 F C 2.649 178.457 175.800 0.015 0.000 1.113 277 F CA 1.718 59.658 58.000 -0.100 0.000 1.218 277 F CB -1.374 37.404 39.000 -0.370 0.000 0.984 277 F HN 0.349 nan 8.300 nan 0.000 0.472 278 Q N 0.931 120.945 119.800 0.358 0.000 2.050 278 Q HA -0.244 4.095 4.340 -0.001 0.000 0.202 278 Q C 2.234 178.326 176.000 0.154 0.000 0.980 278 Q CA 2.304 58.279 55.803 0.287 0.000 0.840 278 Q CB -0.175 28.703 28.738 0.233 0.000 0.898 278 Q HN 0.539 nan 8.270 nan 0.000 0.424 279 K N -0.655 119.810 120.400 0.109 0.000 2.148 279 K HA -0.153 4.166 4.320 -0.001 0.000 0.204 279 K C 1.166 177.799 176.600 0.055 0.000 1.050 279 K CA 1.657 57.982 56.287 0.063 0.000 0.942 279 K CB -0.035 32.488 32.500 0.037 0.000 0.724 279 K HN 0.135 nan 8.250 nan 0.000 0.446 280 D N 1.224 121.664 120.400 0.066 0.000 2.123 280 D HA -0.083 4.556 4.640 -0.001 0.000 0.200 280 D C 2.154 178.458 176.300 0.006 0.000 0.976 280 D CA 1.020 55.043 54.000 0.038 0.000 0.831 280 D CB -0.196 40.638 40.800 0.056 0.000 0.974 280 D HN 0.062 nan 8.370 nan 0.000 0.469 281 V N 1.229 121.151 119.914 0.013 0.000 2.343 281 V HA -0.211 3.908 4.120 -0.001 0.000 0.247 281 V C 2.638 178.764 176.094 0.054 0.000 1.051 281 V CA 1.155 63.454 62.300 -0.002 0.000 1.036 281 V CB -0.496 31.360 31.823 0.056 0.000 0.654 281 V HN 0.203 nan 8.190 nan 0.000 0.451 282 L N 0.409 121.679 121.223 0.079 0.000 2.083 282 L HA -0.188 4.151 4.340 -0.001 0.000 0.209 282 L C 2.580 179.507 176.870 0.094 0.000 1.083 282 L CA 1.759 56.653 54.840 0.089 0.000 0.752 282 L CB -0.763 41.338 42.059 0.069 0.000 0.899 282 L HN 0.442 nan 8.230 nan 0.000 0.433 283 N N 0.917 119.655 118.700 0.063 0.000 2.043 283 N HA -0.233 4.506 4.740 -0.001 0.000 0.193 283 N C 1.852 177.421 175.510 0.099 0.000 1.037 283 N CA 1.609 54.703 53.050 0.074 0.000 0.851 283 N CB -0.294 38.215 38.487 0.037 0.000 1.027 283 N HN 0.135 nan 8.380 nan 0.000 0.422 284 L N 0.590 121.834 121.223 0.034 0.000 2.012 284 L HA -0.100 4.239 4.340 -0.001 0.000 0.210 284 L C 2.382 179.290 176.870 0.063 0.000 1.073 284 L CA 1.261 56.098 54.840 -0.004 0.000 0.748 284 L CB -0.739 41.228 42.059 -0.154 0.000 0.891 284 L HN 0.035 nan 8.230 nan 0.000 0.431 285 V N -1.339 118.641 119.914 0.109 0.000 2.343 285 V HA -0.342 3.777 4.120 -0.001 0.000 0.247 285 V C 2.236 178.416 176.094 0.143 0.000 1.051 285 V CA 2.063 64.454 62.300 0.152 0.000 1.036 285 V CB -0.891 31.032 31.823 0.166 0.000 0.654 285 V HN 0.585 nan 8.190 nan 0.000 0.451 286 Y N 0.363 120.685 120.300 0.036 0.000 2.181 286 Y HA -0.242 4.307 4.550 -0.001 0.000 0.288 286 Y C 2.246 178.158 175.900 0.019 0.000 1.146 286 Y CA 1.810 59.924 58.100 0.022 0.000 1.164 286 Y CB -0.310 38.155 38.460 0.009 0.000 0.982 286 Y HN 0.219 nan 8.280 nan 0.000 0.515 287 L N -0.088 121.179 121.223 0.072 0.000 2.013 287 L HA -0.274 4.066 4.340 -0.001 0.000 0.212 287 L C 2.391 179.224 176.870 -0.061 0.000 1.073 287 L CA 2.071 56.905 54.840 -0.010 0.000 0.753 287 L CB -1.449 40.638 42.059 0.046 0.000 0.890 287 L HN 0.431 nan 8.230 nan 0.000 0.432 288 C N -0.180 119.115 119.300 -0.010 0.000 2.413 288 C HA -0.132 4.327 4.460 -0.001 0.000 0.276 288 C C 2.666 177.630 174.990 -0.045 0.000 1.236 288 C CA 0.858 59.879 59.018 0.005 0.000 1.735 288 C CB -0.996 26.788 27.740 0.073 0.000 2.031 288 C HN 0.588 nan 8.230 nan 0.000 0.474 289 E N 0.914 121.063 120.200 -0.085 0.000 2.077 289 E HA -0.142 4.208 4.350 -0.001 0.000 0.193 289 E C 2.387 178.880 176.600 -0.179 0.000 0.989 289 E CA 1.542 57.869 56.400 -0.120 0.000 0.800 289 E CB -0.737 28.884 29.700 -0.132 0.000 0.746 289 E HN 0.661 nan 8.360 nan 0.000 0.452 290 A N 0.850 123.496 122.820 -0.291 0.000 1.978 290 A HA -0.124 4.196 4.320 -0.001 0.000 0.220 290 A C 2.107 179.612 177.584 -0.131 0.000 1.170 290 A CA 1.040 52.924 52.037 -0.254 0.000 0.636 290 A CB -0.455 18.354 19.000 -0.318 0.000 0.810 290 A HN 0.195 nan 8.150 nan 0.000 0.448 291 L N -0.932 120.234 121.223 -0.096 0.000 2.685 291 L HA 0.140 4.480 4.340 -0.001 0.000 0.233 291 L C 0.600 177.445 176.870 -0.042 0.000 1.173 291 L CA -0.049 54.756 54.840 -0.058 0.000 0.961 291 L CB -0.277 41.759 42.059 -0.039 0.000 1.217 291 L HN 0.459 nan 8.230 nan 0.000 0.478 292 N N 1.325 119.997 118.700 -0.047 0.000 2.740 292 N HA -0.215 4.524 4.740 -0.001 0.000 0.248 292 N C -0.554 174.946 175.510 -0.016 0.000 1.062 292 N CA 0.683 53.715 53.050 -0.031 0.000 0.704 292 N CB -1.181 37.289 38.487 -0.027 0.000 0.968 292 N HN 0.349 nan 8.380 nan 0.000 0.547 293 L N 0.293 121.511 121.223 -0.009 0.000 2.784 293 L HA 0.332 4.671 4.340 -0.001 0.000 0.241 293 L C -1.288 175.597 176.870 0.025 0.000 1.352 293 L CA -1.382 53.464 54.840 0.011 0.000 0.911 293 L CB 1.040 43.114 42.059 0.026 0.000 1.227 293 L HN -0.020 nan 8.230 nan 0.000 0.501 294 P HA -0.105 nan 4.420 nan 0.000 0.221 294 P C 0.913 178.235 177.300 0.037 0.000 1.150 294 P CA 1.057 64.171 63.100 0.024 0.000 0.800 294 P CB 0.564 32.270 31.700 0.010 0.000 0.787 295 E N -0.185 120.032 120.200 0.028 0.000 2.106 295 E HA -0.088 4.262 4.350 -0.001 0.000 0.192 295 E C 2.096 178.727 176.600 0.052 0.000 0.984 295 E CA 0.856 57.272 56.400 0.026 0.000 0.806 295 E CB -1.079 28.620 29.700 -0.001 0.000 0.750 295 E HN 0.040 nan 8.360 nan 0.000 0.458 296 V N 0.972 120.928 119.914 0.071 0.000 2.379 296 V HA -0.216 3.903 4.120 -0.001 0.000 0.245 296 V C 2.235 178.486 176.094 0.261 0.000 1.044 296 V CA 1.624 64.013 62.300 0.150 0.000 1.036 296 V CB -0.856 31.070 31.823 0.172 0.000 0.664 296 V HN 0.338 nan 8.190 nan 0.000 0.453 297 A N 1.637 124.569 122.820 0.186 0.000 1.892 297 A HA -0.284 4.035 4.320 -0.001 0.000 0.218 297 A C 2.376 180.059 177.584 0.165 0.000 1.188 297 A CA 2.411 54.557 52.037 0.182 0.000 0.631 297 A CB -0.569 18.494 19.000 0.105 0.000 0.822 297 A HN 0.708 nan 8.150 nan 0.000 0.447 298 R N -2.469 118.097 120.500 0.111 0.000 2.148 298 R HA -0.094 4.245 4.340 -0.001 0.000 0.223 298 R C 2.053 178.380 176.300 0.044 0.000 1.088 298 R CA 1.461 57.603 56.100 0.069 0.000 0.985 298 R CB -0.722 29.602 30.300 0.039 0.000 0.880 298 R HN 0.492 nan 8.270 nan 0.000 0.451 299 Y N 0.818 121.059 120.300 -0.099 0.000 2.097 299 Y HA -0.216 4.334 4.550 -0.001 0.000 0.282 299 Y C 1.489 177.193 175.900 -0.326 0.000 1.152 299 Y CA 1.844 59.776 58.100 -0.279 0.000 1.136 299 Y CB -0.326 37.871 38.460 -0.439 0.000 0.975 299 Y HN 0.052 nan 8.280 nan 0.000 0.498 300 W N -0.094 121.255 121.300 0.082 0.000 2.436 300 W HA -0.090 4.569 4.660 -0.001 0.000 0.284 300 W C 2.528 179.028 176.519 -0.031 0.000 1.225 300 W CA 0.916 58.258 57.345 -0.006 0.000 1.271 300 W CB -0.509 28.994 29.460 0.072 0.000 1.114 300 W HN 0.103 nan 8.180 nan 0.000 0.559 301 Q N 0.601 120.508 119.800 0.178 0.000 2.197 301 Q HA -0.244 4.096 4.340 -0.001 0.000 0.207 301 Q C 2.074 178.100 176.000 0.043 0.000 0.984 301 Q CA 1.622 57.490 55.803 0.108 0.000 0.869 301 Q CB -0.459 28.327 28.738 0.080 0.000 0.906 301 Q HN 0.157 nan 8.270 nan 0.000 0.426 302 Q N -0.702 119.072 119.800 -0.043 0.000 2.234 302 Q HA -0.100 4.239 4.340 -0.001 0.000 0.206 302 Q C 2.070 178.044 176.000 -0.044 0.000 0.980 302 Q CA 1.321 57.070 55.803 -0.090 0.000 0.869 302 Q CB -0.221 28.392 28.738 -0.209 0.000 0.912 302 Q HN 0.365 nan 8.270 nan 0.000 0.436 303 V N 0.907 120.824 119.914 0.004 0.000 2.343 303 V HA -0.237 3.882 4.120 -0.001 0.000 0.247 303 V C 2.199 178.408 176.094 0.192 0.000 1.051 303 V CA 1.221 63.588 62.300 0.111 0.000 1.036 303 V CB -0.442 31.494 31.823 0.188 0.000 0.654 303 V HN 0.245 nan 8.190 nan 0.000 0.451 304 I N 0.200 120.869 120.570 0.165 0.000 2.286 304 I HA -0.119 4.051 4.170 -0.001 0.000 0.245 304 I C 2.243 178.377 176.117 0.029 0.000 1.104 304 I CA 1.291 62.663 61.300 0.121 0.000 1.397 304 I CB -1.431 36.638 38.000 0.115 0.000 1.072 304 I HN 0.306 nan 8.210 nan 0.000 0.417 305 D N 0.423 120.841 120.400 0.029 0.000 2.149 305 D HA -0.219 4.420 4.640 -0.001 0.000 0.198 305 D C 2.107 178.426 176.300 0.032 0.000 0.990 305 D CA 1.133 55.142 54.000 0.015 0.000 0.839 305 D CB -0.244 40.554 40.800 -0.004 0.000 0.948 305 D HN 0.184 nan 8.370 nan 0.000 0.460 306 M N 0.850 120.469 119.600 0.033 0.000 2.132 306 M HA -0.107 4.372 4.480 -0.001 0.000 0.263 306 M C 1.550 177.888 176.300 0.063 0.000 1.065 306 M CA 1.397 56.747 55.300 0.083 0.000 1.122 306 M CB -0.624 32.011 32.600 0.058 0.000 1.365 306 M HN -0.155 nan 8.290 nan 0.000 0.411 307 N N 0.399 119.067 118.700 -0.054 0.000 2.104 307 N HA -0.176 4.564 4.740 -0.001 0.000 0.190 307 N C 1.181 176.556 175.510 -0.226 0.000 1.024 307 N CA 1.901 54.791 53.050 -0.267 0.000 0.853 307 N CB -0.258 37.816 38.487 -0.689 0.000 1.008 307 N HN 0.407 nan 8.380 nan 0.000 0.424 308 D N -1.084 119.232 120.400 -0.140 0.000 2.144 308 D HA -0.164 4.475 4.640 -0.001 0.000 0.200 308 D C 1.608 177.913 176.300 0.008 0.000 0.978 308 D CA 0.720 54.666 54.000 -0.090 0.000 0.833 308 D CB -0.501 40.275 40.800 -0.040 0.000 0.961 308 D HN 0.415 nan 8.370 nan 0.000 0.470 309 Y N 1.606 121.863 120.300 -0.071 0.000 2.181 309 Y HA -0.253 4.296 4.550 -0.001 0.000 0.288 309 Y C 2.387 178.256 175.900 -0.051 0.000 1.146 309 Y CA 1.807 59.875 58.100 -0.053 0.000 1.164 309 Y CB -0.386 38.046 38.460 -0.046 0.000 0.982 309 Y HN -0.136 nan 8.280 nan 0.000 0.515 310 Q N 0.659 120.303 119.800 -0.261 0.000 2.096 310 Q HA -0.185 4.155 4.340 -0.001 0.000 0.204 310 Q C 2.309 178.174 176.000 -0.226 0.000 0.982 310 Q CA 2.167 57.779 55.803 -0.319 0.000 0.850 310 Q CB -0.222 28.411 28.738 -0.174 0.000 0.901 310 Q HN 0.503 nan 8.270 nan 0.000 0.422 311 R N -0.630 119.779 120.500 -0.152 0.000 2.073 311 R HA -0.082 4.257 4.340 -0.001 0.000 0.234 311 R C 2.516 178.810 176.300 -0.010 0.000 1.134 311 R CA 1.578 57.659 56.100 -0.032 0.000 0.952 311 R CB -0.322 29.977 30.300 -0.001 0.000 0.850 311 R HN 0.210 nan 8.270 nan 0.000 0.433 312 R N 1.412 121.846 120.500 -0.110 0.000 2.075 312 R HA -0.125 4.214 4.340 -0.001 0.000 0.232 312 R C 2.366 178.473 176.300 -0.322 0.000 1.126 312 R CA 1.650 57.554 56.100 -0.327 0.000 0.963 312 R CB -0.052 30.130 30.300 -0.196 0.000 0.858 312 R HN 0.208 nan 8.270 nan 0.000 0.435 313 R N -0.883 119.438 120.500 -0.298 0.000 2.148 313 R HA -0.114 4.225 4.340 -0.001 0.000 0.223 313 R C 1.922 178.122 176.300 -0.166 0.000 1.088 313 R CA 1.211 57.146 56.100 -0.275 0.000 0.985 313 R CB -0.687 29.344 30.300 -0.448 0.000 0.880 313 R HN 0.217 nan 8.270 nan 0.000 0.451 314 F N 2.187 121.982 119.950 -0.258 0.000 2.113 314 F HA 0.056 4.583 4.527 -0.001 0.000 0.297 314 F C 2.467 178.124 175.800 -0.237 0.000 1.103 314 F CA 1.329 59.213 58.000 -0.194 0.000 1.248 314 F CB -0.387 38.532 39.000 -0.135 0.000 0.999 314 F HN 0.128 nan 8.300 nan 0.000 0.475 315 A N -0.663 122.051 122.820 -0.177 0.000 1.902 315 A HA -0.170 4.149 4.320 -0.001 0.000 0.217 315 A C 2.362 179.717 177.584 -0.382 0.000 1.181 315 A CA 2.067 53.924 52.037 -0.300 0.000 0.623 315 A CB -1.252 17.589 19.000 -0.266 0.000 0.818 315 A HN 0.415 nan 8.150 nan 0.000 0.443 316 S N -0.916 114.578 115.700 -0.343 0.000 2.382 316 S HA -0.151 4.319 4.470 -0.001 0.000 0.228 316 S C 2.095 176.520 174.600 -0.292 0.000 1.027 316 S CA 1.172 59.203 58.200 -0.283 0.000 0.991 316 S CB -0.351 62.718 63.200 -0.217 0.000 0.823 316 S HN 0.664 nan 8.310 nan 0.000 0.469 317 R N 1.160 121.466 120.500 -0.324 0.000 2.073 317 R HA -0.075 4.264 4.340 -0.001 0.000 0.234 317 R C 2.113 178.124 176.300 -0.481 0.000 1.134 317 R CA 1.474 57.390 56.100 -0.307 0.000 0.952 317 R CB -0.521 29.626 30.300 -0.255 0.000 0.850 317 R HN 0.388 nan 8.270 nan 0.000 0.433 318 I N 0.792 120.849 120.570 -0.855 0.000 2.163 318 I HA -0.323 3.847 4.170 -0.001 0.000 0.243 318 I C 2.384 178.093 176.117 -0.680 0.000 1.085 318 I CA 1.452 62.016 61.300 -1.226 0.000 1.347 318 I CB -0.239 37.028 38.000 -1.221 0.000 1.044 318 I HN 0.207 nan 8.210 nan 0.000 0.408 319 I N 0.415 120.703 120.570 -0.470 0.000 2.202 319 I HA -0.272 3.897 4.170 -0.001 0.000 0.242 319 I C 2.090 178.042 176.117 -0.276 0.000 1.091 319 I CA 1.301 62.407 61.300 -0.324 0.000 1.368 319 I CB -0.508 37.349 38.000 -0.238 0.000 1.058 319 I HN 0.212 nan 8.210 nan 0.000 0.410 320 D N 0.656 120.910 120.400 -0.242 0.000 2.097 320 D HA -0.145 4.495 4.640 -0.001 0.000 0.195 320 D C 2.404 178.585 176.300 -0.198 0.000 0.989 320 D CA 1.426 55.327 54.000 -0.166 0.000 0.827 320 D CB -0.259 40.471 40.800 -0.118 0.000 0.966 320 D HN 0.143 nan 8.370 nan 0.000 0.456 321 S N 0.061 115.606 115.700 -0.258 0.000 2.382 321 S HA -0.082 4.388 4.470 -0.001 0.000 0.228 321 S C 1.240 175.376 174.600 -0.772 0.000 1.027 321 S CA 0.357 58.370 58.200 -0.311 0.000 0.991 321 S CB -0.032 63.109 63.200 -0.098 0.000 0.823 321 S HN 0.118 nan 8.310 nan 0.000 0.469 322 L N 1.876 122.618 121.223 -0.801 0.000 2.922 322 L HA 0.345 4.684 4.340 -0.001 0.000 0.244 322 L C -0.383 176.164 176.870 -0.539 0.000 1.324 322 L CA 0.250 54.542 54.840 -0.914 0.000 1.172 322 L CB -1.794 39.901 42.059 -0.607 0.000 1.545 322 L HN 0.220 nan 8.230 nan 0.000 0.438 323 F N -0.956 118.934 119.950 -0.100 0.000 3.093 323 F HA -0.394 4.132 4.527 -0.001 0.000 0.287 323 F C 1.179 176.940 175.800 -0.065 0.000 0.882 323 F CA 0.355 58.328 58.000 -0.044 0.000 1.063 323 F CB -2.061 36.935 39.000 -0.007 0.000 1.097 323 F HN 0.546 nan 8.300 nan 0.000 0.604 324 N N -1.379 117.315 118.700 -0.010 0.000 2.828 324 N HA -0.199 4.540 4.740 -0.001 0.000 0.248 324 N C 0.082 175.567 175.510 -0.042 0.000 1.044 324 N CA 1.519 54.548 53.050 -0.034 0.000 0.851 324 N CB -0.932 37.557 38.487 0.004 0.000 1.136 324 N HN 0.615 nan 8.380 nan 0.000 0.572 325 T N -0.957 113.566 114.554 -0.051 0.000 3.032 325 T HA 0.505 4.855 4.350 -0.001 0.000 0.312 325 T C 0.431 175.060 174.700 -0.119 0.000 1.078 325 T CA -0.123 61.937 62.100 -0.067 0.000 1.028 325 T CB 1.701 70.551 68.868 -0.030 0.000 1.091 325 T HN 0.101 nan 8.240 nan 0.000 0.457 326 V N 1.349 121.181 119.914 -0.135 0.000 3.346 326 V HA 0.421 4.540 4.120 -0.001 0.000 0.309 326 V C 0.698 176.695 176.094 -0.162 0.000 1.457 326 V CA -0.250 61.947 62.300 -0.172 0.000 1.069 326 V CB -0.293 31.426 31.823 -0.173 0.000 0.944 326 V HN 0.826 nan 8.190 nan 0.000 0.449 327 T N 3.001 117.476 114.554 -0.132 0.000 2.871 327 T HA 0.167 4.516 4.350 -0.001 0.000 0.296 327 T C 0.539 175.130 174.700 -0.182 0.000 0.998 327 T CA 1.281 63.297 62.100 -0.139 0.000 1.162 327 T CB 0.036 68.853 68.868 -0.085 0.000 0.947 327 T HN 0.682 nan 8.240 nan 0.000 0.536 328 D N 0.506 120.711 120.400 -0.326 0.000 3.028 328 D HA -0.135 4.505 4.640 -0.001 0.000 0.207 328 D C 0.085 176.240 176.300 -0.241 0.000 1.100 328 D CA 1.127 54.876 54.000 -0.419 0.000 0.995 328 D CB -0.636 40.100 40.800 -0.107 0.000 1.108 328 D HN 0.580 nan 8.370 nan 0.000 0.421 329 K N 0.971 121.248 120.400 -0.205 0.000 2.201 329 K HA 0.291 4.611 4.320 -0.001 0.000 0.278 329 K C 0.513 177.171 176.600 0.096 0.000 1.027 329 K CA -0.457 55.791 56.287 -0.065 0.000 0.909 329 K CB 1.825 34.132 32.500 -0.321 0.000 1.062 329 K HN -0.037 nan 8.250 nan 0.000 0.465 330 K N 4.228 124.799 120.400 0.285 0.000 2.339 330 K HA 0.198 4.517 4.320 -0.001 0.000 0.286 330 K C -0.818 175.910 176.600 0.214 0.000 1.050 330 K CA -0.041 56.396 56.287 0.250 0.000 0.956 330 K CB 0.363 32.940 32.500 0.129 0.000 0.990 330 K HN 0.495 nan 8.250 nan 0.000 0.475 331 I N 3.675 124.360 120.570 0.192 0.000 2.499 331 I HA 0.272 4.442 4.170 -0.001 0.000 0.288 331 I C -0.431 175.788 176.117 0.171 0.000 1.048 331 I CA -1.045 60.353 61.300 0.163 0.000 1.062 331 I CB 2.021 40.087 38.000 0.109 0.000 1.238 331 I HN 0.679 nan 8.210 nan 0.000 0.426 332 A N 7.665 130.572 122.820 0.146 0.000 2.362 332 A HA 0.591 4.910 4.320 -0.001 0.000 0.276 332 A C -0.334 177.330 177.584 0.132 0.000 1.153 332 A CA -0.238 51.878 52.037 0.133 0.000 0.813 332 A CB 0.150 19.198 19.000 0.079 0.000 1.081 332 A HN 0.527 nan 8.150 nan 0.000 0.507 333 I N 4.307 124.969 120.570 0.152 0.000 2.306 333 I HA 0.194 4.363 4.170 -0.001 0.000 0.288 333 I C -0.369 175.831 176.117 0.138 0.000 1.036 333 I CA -0.049 61.349 61.300 0.162 0.000 1.221 333 I CB 0.705 38.837 38.000 0.222 0.000 1.385 333 I HN 0.507 nan 8.210 nan 0.000 0.472 334 L N 6.084 127.317 121.223 0.017 0.000 2.259 334 L HA 0.628 4.968 4.340 -0.001 0.000 0.288 334 L C 0.541 177.425 176.870 0.025 0.000 1.051 334 L CA -0.416 54.315 54.840 -0.183 0.000 0.824 334 L CB 0.973 42.537 42.059 -0.825 0.000 1.206 334 L HN 0.851 nan 8.230 nan 0.000 0.429 335 G N 2.186 111.236 108.800 0.417 0.000 3.355 335 G HA2 -0.216 3.744 3.960 -0.001 0.000 0.686 335 G HA3 -0.216 3.744 3.960 -0.001 0.000 0.686 335 G C -0.771 174.401 174.900 0.454 0.000 1.097 335 G CA -0.641 44.832 45.100 0.622 0.000 0.881 335 G HN 0.520 nan 8.290 nan 0.000 0.550 336 F N 2.169 122.282 119.950 0.271 0.000 2.747 336 F HA 0.639 5.165 4.527 -0.001 0.000 0.305 336 F C 1.821 177.740 175.800 0.197 0.000 1.065 336 F CA 1.208 59.317 58.000 0.181 0.000 1.230 336 F CB 0.334 39.400 39.000 0.110 0.000 1.027 336 F HN 1.000 nan 8.300 nan 0.000 0.607 337 A N 0.661 123.691 122.820 0.351 0.000 2.448 337 A HA 0.158 4.478 4.320 -0.001 0.000 0.239 337 A C 0.854 178.478 177.584 0.066 0.000 1.080 337 A CA 0.140 52.316 52.037 0.233 0.000 0.779 337 A CB -0.539 18.632 19.000 0.285 0.000 1.026 337 A HN 0.548 nan 8.150 nan 0.000 0.499 338 F N 0.046 119.966 119.950 -0.051 0.000 2.502 338 F HA 0.216 4.742 4.527 -0.001 0.000 0.298 338 F C 0.640 176.367 175.800 -0.121 0.000 1.111 338 F CA 0.680 58.626 58.000 -0.090 0.000 1.445 338 F CB -0.181 38.769 39.000 -0.084 0.000 1.081 338 F HN 0.598 nan 8.300 nan 0.000 0.558 339 K N 0.464 120.372 120.400 -0.821 0.000 2.571 339 K HA 0.340 4.660 4.320 -0.001 0.000 0.289 339 K C -1.362 174.742 176.600 -0.826 0.000 1.028 339 K CA -1.227 54.611 56.287 -0.750 0.000 0.895 339 K CB 1.283 33.265 32.500 -0.864 0.000 1.534 339 K HN 0.140 nan 8.250 nan 0.000 0.421 340 K N 0.197 120.087 120.400 -0.849 0.000 2.138 340 K HA 0.189 4.508 4.320 -0.001 0.000 0.251 340 K C -0.789 175.343 176.600 -0.780 0.000 1.015 340 K CA 0.095 55.620 56.287 -1.269 0.000 0.917 340 K CB 0.290 32.213 32.500 -0.962 0.000 1.021 340 K HN 0.654 nan 8.250 nan 0.000 0.485 341 D N -0.649 119.337 120.400 -0.689 0.000 2.981 341 D HA -0.148 4.491 4.640 -0.001 0.000 0.223 341 D C -0.859 175.533 176.300 0.154 0.000 1.151 341 D CA 1.665 55.689 54.000 0.040 0.000 0.827 341 D CB -1.326 39.470 40.800 -0.007 0.000 1.101 341 D HN 0.748 nan 8.370 nan 0.000 0.426 342 T N -2.487 112.170 114.554 0.172 0.000 2.883 342 T HA 0.597 4.947 4.350 -0.001 0.000 0.301 342 T C 0.951 175.928 174.700 0.463 0.000 1.158 342 T CA 0.078 62.365 62.100 0.312 0.000 1.007 342 T CB 1.780 70.699 68.868 0.084 0.000 1.186 342 T HN -0.058 nan 8.240 nan 0.000 0.499 343 G N 1.100 110.173 108.800 0.456 0.000 3.088 343 G HA2 0.175 4.134 3.960 -0.001 0.000 0.217 343 G HA3 0.175 4.134 3.960 -0.001 0.000 0.217 343 G C 0.224 175.318 174.900 0.324 0.000 1.159 343 G CA -0.121 45.190 45.100 0.352 0.000 0.760 343 G HN 0.659 nan 8.290 nan 0.000 0.550 344 D N 0.972 121.574 120.400 0.336 0.000 2.390 344 D HA 0.204 4.844 4.640 -0.001 0.000 0.249 344 D C 1.510 178.000 176.300 0.315 0.000 1.144 344 D CA 0.294 54.451 54.000 0.261 0.000 0.880 344 D CB 1.458 42.312 40.800 0.091 0.000 1.182 344 D HN 0.097 nan 8.370 nan 0.000 0.451 345 T N 0.403 115.085 114.554 0.213 0.000 3.085 345 T HA 0.217 4.567 4.350 -0.001 0.000 0.264 345 T C 0.828 175.559 174.700 0.052 0.000 1.019 345 T CA -0.452 61.756 62.100 0.180 0.000 0.910 345 T CB 0.068 69.088 68.868 0.253 0.000 1.059 345 T HN 0.208 nan 8.240 nan 0.000 0.542 346 R N 2.487 122.955 120.500 -0.055 0.000 2.449 346 R HA 0.145 4.484 4.340 -0.001 0.000 0.296 346 R C 0.115 176.312 176.300 -0.172 0.000 1.047 346 R CA -0.094 55.923 56.100 -0.139 0.000 1.018 346 R CB 0.073 30.243 30.300 -0.218 0.000 0.962 346 R HN 0.283 nan 8.270 nan 0.000 0.428 347 E N -0.202 119.974 120.200 -0.038 0.000 2.660 347 E HA -0.235 4.114 4.350 -0.001 0.000 0.260 347 E C -0.392 176.276 176.600 0.113 0.000 1.122 347 E CA 0.952 57.408 56.400 0.094 0.000 0.755 347 E CB -1.292 28.440 29.700 0.054 0.000 1.345 347 E HN 0.594 nan 8.360 nan 0.000 0.421 348 S N -0.349 115.376 115.700 0.042 0.000 2.549 348 S HA 0.130 4.599 4.470 -0.001 0.000 0.286 348 S C 1.499 176.135 174.600 0.059 0.000 1.314 348 S CA 0.425 58.646 58.200 0.034 0.000 1.062 348 S CB 0.936 64.063 63.200 -0.122 0.000 0.865 348 S HN 0.233 nan 8.310 nan 0.000 0.498 349 S N 3.760 119.490 115.700 0.050 0.000 2.419 349 S HA -0.093 4.376 4.470 -0.001 0.000 0.235 349 S C 2.080 176.701 174.600 0.036 0.000 1.019 349 S CA 1.415 59.650 58.200 0.058 0.000 0.982 349 S CB -0.282 62.893 63.200 -0.041 0.000 0.789 349 S HN 0.781 nan 8.310 nan 0.000 0.490 350 S N 1.581 117.209 115.700 -0.120 0.000 2.399 350 S HA -0.010 4.459 4.470 -0.001 0.000 0.231 350 S C 1.700 176.128 174.600 -0.287 0.000 1.022 350 S CA 0.923 58.992 58.200 -0.219 0.000 0.983 350 S CB -0.354 62.568 63.200 -0.464 0.000 0.803 350 S HN 0.484 nan 8.310 nan 0.000 0.480 351 I N -0.123 120.188 120.570 -0.431 0.000 2.252 351 I HA -0.190 3.980 4.170 -0.001 0.000 0.245 351 I C 1.973 177.958 176.117 -0.220 0.000 1.102 351 I CA 1.383 62.509 61.300 -0.289 0.000 1.385 351 I CB -0.359 37.422 38.000 -0.366 0.000 1.064 351 I HN 0.260 nan 8.210 nan 0.000 0.414 352 Y N 0.125 120.359 120.300 -0.110 0.000 2.220 352 Y HA -0.122 4.428 4.550 -0.001 0.000 0.291 352 Y C 2.452 178.321 175.900 -0.051 0.000 1.129 352 Y CA 0.843 58.855 58.100 -0.146 0.000 1.161 352 Y CB -0.163 38.233 38.460 -0.106 0.000 0.997 352 Y HN 0.017 nan 8.280 nan 0.000 0.522 353 I N -0.812 119.901 120.570 0.238 0.000 2.226 353 I HA -0.263 3.906 4.170 -0.001 0.000 0.245 353 I C 2.241 178.475 176.117 0.195 0.000 1.100 353 I CA 1.321 62.795 61.300 0.290 0.000 1.374 353 I CB -1.401 36.768 38.000 0.281 0.000 1.057 353 I HN 0.118 nan 8.210 nan 0.000 0.413 354 S N 0.695 116.480 115.700 0.142 0.000 2.368 354 S HA -0.152 4.318 4.470 -0.001 0.000 0.225 354 S C 1.956 176.600 174.600 0.073 0.000 1.030 354 S CA 1.168 59.450 58.200 0.138 0.000 0.999 354 S CB -0.103 63.233 63.200 0.226 0.000 0.844 354 S HN 0.435 nan 8.310 nan 0.000 0.459 355 K N 0.070 120.464 120.400 -0.010 0.000 2.057 355 K HA -0.054 4.265 4.320 -0.001 0.000 0.206 355 K C 1.877 178.453 176.600 -0.039 0.000 1.050 355 K CA 1.256 57.496 56.287 -0.078 0.000 0.935 355 K CB -0.327 32.048 32.500 -0.208 0.000 0.715 355 K HN 0.432 nan 8.250 nan 0.000 0.439 356 Y N 1.258 121.573 120.300 0.026 0.000 2.114 356 Y HA -0.251 4.298 4.550 -0.001 0.000 0.282 356 Y C 2.189 178.078 175.900 -0.019 0.000 1.165 356 Y CA 0.859 58.964 58.100 0.007 0.000 1.148 356 Y CB -0.162 38.302 38.460 0.008 0.000 0.972 356 Y HN -0.013 nan 8.280 nan 0.000 0.504 357 L N -0.979 120.328 121.223 0.141 0.000 2.109 357 L HA -0.219 4.120 4.340 -0.001 0.000 0.207 357 L C 2.268 179.157 176.870 0.031 0.000 1.086 357 L CA 1.052 55.920 54.840 0.048 0.000 0.760 357 L CB -0.442 41.634 42.059 0.027 0.000 0.910 357 L HN 0.339 nan 8.230 nan 0.000 0.437 358 M N -0.492 119.133 119.600 0.042 0.000 2.229 358 M HA -0.187 4.293 4.480 -0.001 0.000 0.264 358 M C 1.586 177.898 176.300 0.021 0.000 1.063 358 M CA 1.339 56.657 55.300 0.028 0.000 1.114 358 M CB -0.421 32.194 32.600 0.025 0.000 1.387 358 M HN 0.155 nan 8.290 nan 0.000 0.420 359 D N 0.459 120.878 120.400 0.032 0.000 2.182 359 D HA -0.137 4.502 4.640 -0.001 0.000 0.201 359 D C 1.810 178.122 176.300 0.020 0.000 0.986 359 D CA 1.069 55.089 54.000 0.033 0.000 0.847 359 D CB -0.201 40.640 40.800 0.068 0.000 0.942 359 D HN 0.360 nan 8.370 nan 0.000 0.467 360 E N -0.406 119.800 120.200 0.009 0.000 2.435 360 E HA 0.098 4.447 4.350 -0.001 0.000 0.195 360 E C 1.385 177.960 176.600 -0.042 0.000 1.029 360 E CA 0.590 56.977 56.400 -0.021 0.000 0.865 360 E CB 0.285 29.959 29.700 -0.043 0.000 0.833 360 E HN 0.304 nan 8.360 nan 0.000 0.510 361 G N 1.385 110.164 108.800 -0.035 0.000 2.142 361 G HA2 -0.261 3.698 3.960 -0.001 0.000 0.225 361 G HA3 -0.261 3.698 3.960 -0.001 0.000 0.225 361 G C 0.456 175.271 174.900 -0.143 0.000 1.015 361 G CA 0.184 45.249 45.100 -0.059 0.000 0.716 361 G HN 0.501 nan 8.290 nan 0.000 0.508 362 A N -0.236 122.523 122.820 -0.101 0.000 2.425 362 A HA 0.585 4.905 4.320 -0.001 0.000 0.242 362 A C 0.283 177.842 177.584 -0.043 0.000 1.077 362 A CA 0.132 52.098 52.037 -0.118 0.000 0.781 362 A CB 0.186 19.161 19.000 -0.041 0.000 1.020 362 A HN 0.668 nan 8.150 nan 0.000 0.494 363 H N 1.253 120.371 119.070 0.081 0.000 2.741 363 H HA 0.372 4.927 4.556 -0.001 0.000 0.282 363 H C -0.639 174.804 175.328 0.192 0.000 1.122 363 H CA -0.479 55.642 56.048 0.120 0.000 1.293 363 H CB 0.362 30.225 29.762 0.168 0.000 1.415 363 H HN 0.463 nan 8.280 nan 0.000 0.472 364 L N 4.307 125.667 121.223 0.228 0.000 2.305 364 L HA 0.258 4.597 4.340 -0.001 0.000 0.281 364 L C 0.285 177.234 176.870 0.131 0.000 1.085 364 L CA -0.330 54.627 54.840 0.194 0.000 0.813 364 L CB 0.693 42.822 42.059 0.116 0.000 1.157 364 L HN 0.648 nan 8.230 nan 0.000 0.436 365 H N 4.885 124.005 119.070 0.083 0.000 2.638 365 H HA 0.463 5.019 4.556 -0.001 0.000 0.317 365 H C -0.591 174.781 175.328 0.074 0.000 1.006 365 H CA -0.541 55.546 56.048 0.064 0.000 1.222 365 H CB 1.990 31.791 29.762 0.065 0.000 1.419 365 H HN 0.431 nan 8.280 nan 0.000 0.489 366 I N 3.681 124.317 120.570 0.109 0.000 2.377 366 I HA 0.150 4.320 4.170 -0.001 0.000 0.293 366 I C -0.822 175.376 176.117 0.135 0.000 0.987 366 I CA -0.789 60.569 61.300 0.097 0.000 1.185 366 I CB 1.321 39.292 38.000 -0.048 0.000 1.341 366 I HN 0.469 nan 8.210 nan 0.000 0.455 367 Y N 5.954 126.290 120.300 0.060 0.000 2.391 367 Y HA 0.498 5.048 4.550 -0.001 0.000 0.341 367 Y C -1.304 174.674 175.900 0.129 0.000 0.965 367 Y CA -0.739 57.395 58.100 0.057 0.000 1.067 367 Y CB 1.512 39.999 38.460 0.045 0.000 1.199 367 Y HN 0.527 nan 8.280 nan 0.000 0.450 368 D N 7.458 127.289 120.400 -0.949 0.000 2.990 368 D HA 0.264 4.904 4.640 -0.001 0.000 0.227 368 D C -2.379 173.222 176.300 -1.164 0.000 1.249 368 D CA -1.839 51.678 54.000 -0.806 0.000 0.891 368 D CB 3.269 43.980 40.800 -0.148 0.000 1.647 368 D HN 0.359 nan 8.370 nan 0.000 0.530 369 P HA -0.008 nan 4.420 nan 0.000 0.223 369 P C 0.729 177.613 177.300 -0.693 0.000 1.151 369 P CA 0.796 63.371 63.100 -0.875 0.000 0.787 369 P CB 0.802 31.909 31.700 -0.988 0.000 0.788 370 K N -1.392 118.611 120.400 -0.663 0.000 2.474 370 K HA 0.174 4.493 4.320 -0.001 0.000 0.202 370 K C 0.221 176.737 176.600 -0.140 0.000 1.248 370 K CA 0.158 56.218 56.287 -0.378 0.000 0.946 370 K CB 0.287 32.608 32.500 -0.298 0.000 1.102 370 K HN -0.162 nan 8.250 nan 0.000 0.541 371 V N 4.328 124.203 119.914 -0.065 0.000 2.572 371 V HA 0.165 4.285 4.120 -0.001 0.000 0.291 371 V C -2.228 173.839 176.094 -0.046 0.000 1.039 371 V CA -1.449 60.871 62.300 0.034 0.000 1.055 371 V CB 0.629 32.538 31.823 0.144 0.000 0.969 371 V HN 0.139 nan 8.190 nan 0.000 0.482 372 P HA 0.186 nan 4.420 nan 0.000 0.271 372 P C 0.667 177.925 177.300 -0.069 0.000 1.216 372 P CA -0.467 62.602 63.100 -0.050 0.000 0.776 372 P CB 0.454 32.137 31.700 -0.029 0.000 0.881 373 R N 1.990 122.438 120.500 -0.086 0.000 2.127 373 R HA -0.195 4.144 4.340 -0.001 0.000 0.238 373 R C 1.009 177.249 176.300 -0.100 0.000 1.134 373 R CA 1.583 57.619 56.100 -0.107 0.000 0.975 373 R CB -0.755 29.493 30.300 -0.088 0.000 0.865 373 R HN 0.284 nan 8.270 nan 0.000 0.447 374 E N 0.855 121.015 120.200 -0.067 0.000 2.110 374 E HA -0.205 4.144 4.350 -0.001 0.000 0.193 374 E C 1.978 178.553 176.600 -0.042 0.000 0.988 374 E CA 1.363 57.733 56.400 -0.051 0.000 0.804 374 E CB -0.106 29.572 29.700 -0.036 0.000 0.745 374 E HN 0.359 nan 8.360 nan 0.000 0.458 375 Q N 0.392 120.176 119.800 -0.028 0.000 2.119 375 Q HA -0.036 4.303 4.340 -0.001 0.000 0.201 375 Q C 1.840 177.835 176.000 -0.008 0.000 0.972 375 Q CA 1.175 56.984 55.803 0.010 0.000 0.847 375 Q CB -0.105 28.668 28.738 0.058 0.000 0.903 375 Q HN 0.355 nan 8.270 nan 0.000 0.433 376 I N -0.760 119.734 120.570 -0.128 0.000 2.179 376 I HA -0.275 3.894 4.170 -0.001 0.000 0.242 376 I C 1.992 177.982 176.117 -0.212 0.000 1.088 376 I CA 0.970 62.052 61.300 -0.363 0.000 1.357 376 I CB -0.402 37.219 38.000 -0.631 0.000 1.051 376 I HN 0.048 nan 8.210 nan 0.000 0.409 377 V N 0.431 120.258 119.914 -0.144 0.000 2.287 377 V HA -0.247 3.873 4.120 -0.001 0.000 0.248 377 V C 2.469 178.535 176.094 -0.047 0.000 1.053 377 V CA 1.647 63.892 62.300 -0.092 0.000 1.027 377 V CB -0.594 31.185 31.823 -0.074 0.000 0.646 377 V HN 0.250 nan 8.190 nan 0.000 0.447 378 V N 0.269 120.167 119.914 -0.027 0.000 2.343 378 V HA -0.261 3.859 4.120 -0.001 0.000 0.247 378 V C 2.265 178.367 176.094 0.014 0.000 1.051 378 V CA 2.233 64.531 62.300 -0.002 0.000 1.036 378 V CB -0.701 31.128 31.823 0.010 0.000 0.654 378 V HN 0.564 nan 8.190 nan 0.000 0.451 379 D N -0.168 120.260 120.400 0.046 0.000 2.219 379 D HA -0.047 4.592 4.640 -0.001 0.000 0.205 379 D C 1.857 178.191 176.300 0.056 0.000 0.970 379 D CA 1.067 55.120 54.000 0.088 0.000 0.851 379 D CB 0.026 40.982 40.800 0.260 0.000 0.943 379 D HN 0.369 nan 8.370 nan 0.000 0.488 380 L N -0.040 121.206 121.223 0.039 0.000 2.607 380 L HA 0.114 4.454 4.340 -0.001 0.000 0.228 380 L C 0.855 177.716 176.870 -0.014 0.000 1.123 380 L CA 0.010 54.859 54.840 0.015 0.000 0.890 380 L CB 0.330 42.396 42.059 0.012 0.000 1.103 380 L HN -0.214 nan 8.230 nan 0.000 0.468 381 S N -1.632 114.059 115.700 -0.015 0.000 2.707 381 S HA 0.458 4.927 4.470 -0.001 0.000 0.276 381 S C 0.440 175.030 174.600 -0.017 0.000 1.179 381 S CA -0.302 57.887 58.200 -0.017 0.000 0.992 381 S CB 0.582 63.772 63.200 -0.016 0.000 1.030 381 S HN 0.419 nan 8.310 nan 0.000 0.554 390 Q N 1.428 121.228 119.800 0.000 0.000 2.170 390 Q HA -0.086 4.253 4.340 -0.001 0.000 0.203 390 Q C 1.408 177.410 176.000 0.004 0.000 0.976 390 Q CA 1.613 57.421 55.803 0.008 0.000 0.858 390 Q CB 0.335 29.076 28.738 0.006 0.000 0.907 390 Q HN 0.401 nan 8.270 nan 0.000 0.433 391 V N 0.841 120.750 119.914 -0.009 0.000 2.427 391 V HA -0.247 3.872 4.120 -0.001 0.000 0.248 391 V C 2.468 178.543 176.094 -0.032 0.000 1.051 391 V CA 1.802 64.089 62.300 -0.022 0.000 1.048 391 V CB -0.702 31.102 31.823 -0.031 0.000 0.666 391 V HN 0.546 nan 8.190 nan 0.000 0.456 392 S N 0.596 116.280 115.700 -0.028 0.000 2.382 392 S HA -0.218 4.252 4.470 -0.001 0.000 0.228 392 S C 2.082 176.661 174.600 -0.036 0.000 1.027 392 S CA 1.296 59.475 58.200 -0.035 0.000 0.991 392 S CB -0.443 62.741 63.200 -0.027 0.000 0.823 392 S HN 0.575 nan 8.310 nan 0.000 0.469 393 R N 0.572 121.064 120.500 -0.013 0.000 2.073 393 R HA 0.245 4.585 4.340 -0.001 0.000 0.229 393 R C 1.957 178.266 176.300 0.014 0.000 1.120 393 R CA 1.385 57.486 56.100 0.001 0.000 0.967 393 R CB -0.314 30.006 30.300 0.035 0.000 0.862 393 R HN 0.434 nan 8.270 nan 0.000 0.436 394 L N -0.203 121.046 121.223 0.043 0.000 2.672 394 L HA 0.222 4.561 4.340 -0.001 0.000 0.236 394 L C -0.140 176.751 176.870 0.035 0.000 1.092 394 L CA -0.117 54.797 54.840 0.122 0.000 0.887 394 L CB 1.094 43.224 42.059 0.120 0.000 1.168 394 L HN -0.146 nan 8.230 nan 0.000 0.502 395 V N 0.003 119.888 119.914 -0.048 0.000 2.448 395 V HA 0.403 4.523 4.120 -0.001 0.000 0.295 395 V C -0.266 175.715 176.094 -0.189 0.000 1.025 395 V CA -0.286 61.953 62.300 -0.101 0.000 0.859 395 V CB 1.743 33.519 31.823 -0.078 0.000 0.988 395 V HN 0.041 nan 8.190 nan 0.000 0.431 396 T N 5.997 120.365 114.554 -0.310 0.000 2.841 396 T HA 0.660 5.009 4.350 -0.001 0.000 0.283 396 T C -0.409 174.167 174.700 -0.207 0.000 1.000 396 T CA -0.239 61.656 62.100 -0.341 0.000 0.977 396 T CB 1.495 69.944 68.868 -0.698 0.000 0.979 396 T HN 0.368 nan 8.240 nan 0.000 0.446 397 I N 2.664 123.159 120.570 -0.125 0.000 2.330 397 I HA 0.296 4.465 4.170 -0.001 0.000 0.289 397 I C 0.345 176.461 176.117 -0.002 0.000 1.001 397 I CA -0.283 60.973 61.300 -0.074 0.000 1.193 397 I CB 1.307 39.243 38.000 -0.106 0.000 1.345 397 I HN 0.537 nan 8.210 nan 0.000 0.461 398 S N 4.425 120.170 115.700 0.076 0.000 2.554 398 S HA 0.335 4.805 4.470 -0.001 0.000 0.278 398 S C 1.190 175.896 174.600 0.177 0.000 1.242 398 S CA -0.646 57.634 58.200 0.133 0.000 1.051 398 S CB 1.704 65.011 63.200 0.177 0.000 0.986 398 S HN 0.723 nan 8.310 nan 0.000 0.502 399 K N 1.249 121.722 120.400 0.123 0.000 2.228 399 K HA 0.020 4.339 4.320 -0.001 0.000 0.202 399 K C 0.449 177.137 176.600 0.145 0.000 1.051 399 K CA 1.434 57.796 56.287 0.124 0.000 0.960 399 K CB -0.566 31.968 32.500 0.058 0.000 0.743 399 K HN 0.896 nan 8.250 nan 0.000 0.458 400 D N -2.871 117.537 120.400 0.013 0.000 2.602 400 D HA 0.175 4.815 4.640 -0.001 0.000 0.236 400 D C -2.661 173.362 176.300 -0.461 0.000 1.209 400 D CA -1.246 52.575 54.000 -0.298 0.000 0.831 400 D CB 2.261 42.994 40.800 -0.112 0.000 1.478 400 D HN -0.114 nan 8.370 nan 0.000 0.438 401 P HA -0.112 nan 4.420 nan 0.000 0.221 401 P C 1.154 178.204 177.300 -0.417 0.000 1.150 401 P CA 1.023 63.741 63.100 -0.637 0.000 0.800 401 P CB -0.028 31.236 31.700 -0.726 0.000 0.787 402 Y N 0.836 121.025 120.300 -0.184 0.000 2.242 402 Y HA -0.087 4.463 4.550 -0.001 0.000 0.291 402 Y C 2.715 178.570 175.900 -0.075 0.000 1.137 402 Y CA 1.078 59.111 58.100 -0.112 0.000 1.181 402 Y CB -1.071 37.327 38.460 -0.103 0.000 0.989 402 Y HN 0.006 nan 8.280 nan 0.000 0.527 403 E N 0.083 120.323 120.200 0.065 0.000 2.070 403 E HA -0.282 4.067 4.350 -0.001 0.000 0.197 403 E C 2.441 179.055 176.600 0.023 0.000 1.004 403 E CA 1.130 57.556 56.400 0.044 0.000 0.805 403 E CB -0.285 29.448 29.700 0.055 0.000 0.744 403 E HN 0.466 nan 8.360 nan 0.000 0.451 404 A N 0.405 123.238 122.820 0.022 0.000 1.908 404 A HA -0.222 4.097 4.320 -0.001 0.000 0.218 404 A C 2.314 179.889 177.584 -0.016 0.000 1.181 404 A CA 1.563 53.631 52.037 0.051 0.000 0.627 404 A CB -0.642 18.399 19.000 0.069 0.000 0.818 404 A HN 0.420 nan 8.150 nan 0.000 0.445 405 C N -0.213 119.071 119.300 -0.027 0.000 2.618 405 C HA 0.127 4.587 4.460 -0.001 0.000 0.264 405 C C 0.836 175.823 174.990 -0.004 0.000 1.334 405 C CA -0.571 58.446 59.018 -0.001 0.000 1.731 405 C CB -1.246 26.500 27.740 0.010 0.000 1.852 405 C HN 0.538 nan 8.230 nan 0.000 0.566 406 D N 0.564 120.950 120.400 -0.025 0.000 2.363 406 D HA 0.345 4.984 4.640 -0.001 0.000 0.263 406 D C 1.260 177.515 176.300 -0.076 0.000 1.258 406 D CA 1.493 55.475 54.000 -0.030 0.000 0.907 406 D CB 0.158 40.947 40.800 -0.018 0.000 1.107 406 D HN 0.505 nan 8.370 nan 0.000 0.495 407 G N 2.790 111.550 108.800 -0.067 0.000 2.155 407 G HA2 -0.189 3.770 3.960 -0.001 0.000 0.257 407 G HA3 -0.189 3.770 3.960 -0.001 0.000 0.257 407 G C 0.510 175.354 174.900 -0.092 0.000 0.983 407 G CA 0.362 45.409 45.100 -0.088 0.000 0.676 407 G HN 0.873 nan 8.290 nan 0.000 0.528 408 A N -0.481 122.305 122.820 -0.056 0.000 2.351 408 A HA 0.664 4.984 4.320 -0.001 0.000 0.257 408 A C 1.114 178.714 177.584 0.026 0.000 1.087 408 A CA 0.449 52.497 52.037 0.018 0.000 0.798 408 A CB 0.265 19.299 19.000 0.057 0.000 1.033 408 A HN 0.430 nan 8.150 nan 0.000 0.488 409 H N 0.609 119.748 119.070 0.115 0.000 2.415 409 H HA 0.254 4.809 4.556 -0.001 0.000 0.297 409 H C 0.817 176.317 175.328 0.287 0.000 1.048 409 H CA 1.469 57.628 56.048 0.186 0.000 1.365 409 H CB 0.425 30.282 29.762 0.158 0.000 1.421 409 H HN 0.753 nan 8.280 nan 0.000 0.533 410 A N 0.841 123.880 122.820 0.365 0.000 2.498 410 A HA 0.537 4.856 4.320 -0.001 0.000 0.298 410 A C -1.039 176.710 177.584 0.274 0.000 1.075 410 A CA -0.528 51.737 52.037 0.382 0.000 0.714 410 A CB 1.964 21.229 19.000 0.441 0.000 1.299 410 A HN -0.025 nan 8.150 nan 0.000 0.407 411 V N 1.422 121.491 119.914 0.258 0.000 2.409 411 V HA 0.521 4.641 4.120 -0.001 0.000 0.291 411 V C -0.638 175.580 176.094 0.206 0.000 1.020 411 V CA -0.532 61.869 62.300 0.168 0.000 0.848 411 V CB 1.411 33.293 31.823 0.097 0.000 0.990 411 V HN 0.646 nan 8.190 nan 0.000 0.430 412 V N 6.298 126.321 119.914 0.182 0.000 2.326 412 V HA 0.458 4.578 4.120 -0.001 0.000 0.281 412 V C -0.068 176.121 176.094 0.158 0.000 1.015 412 V CA -0.373 62.072 62.300 0.241 0.000 0.823 412 V CB 1.517 33.471 31.823 0.219 0.000 1.009 412 V HN 0.712 nan 8.190 nan 0.000 0.436 413 I N 4.090 124.752 120.570 0.153 0.000 2.322 413 I HA 0.175 4.345 4.170 -0.001 0.000 0.292 413 I C 0.761 176.957 176.117 0.131 0.000 1.060 413 I CA 0.085 61.424 61.300 0.065 0.000 1.309 413 I CB 0.809 38.847 38.000 0.062 0.000 1.415 413 I HN 0.671 nan 8.210 nan 0.000 0.492 414 C N 3.122 122.499 119.300 0.128 0.000 2.935 414 C HA 0.158 4.617 4.460 -0.001 0.000 0.308 414 C C 1.031 176.067 174.990 0.077 0.000 1.263 414 C CA 0.255 59.323 59.018 0.082 0.000 1.738 414 C CB -0.062 27.741 27.740 0.106 0.000 2.237 414 C HN 0.723 nan 8.230 nan 0.000 0.600 415 T N 1.821 116.499 114.554 0.206 0.000 2.861 415 T HA 0.219 4.568 4.350 -0.001 0.000 0.287 415 T C 0.180 174.991 174.700 0.185 0.000 1.003 415 T CA -0.169 62.006 62.100 0.125 0.000 0.977 415 T CB 1.385 70.345 68.868 0.154 0.000 0.996 415 T HN 0.340 nan 8.240 nan 0.000 0.448 416 E N 1.991 122.148 120.200 -0.072 0.000 2.528 416 E HA -0.030 4.319 4.350 -0.001 0.000 0.237 416 E C -0.886 175.636 176.600 -0.131 0.000 1.408 416 E CA -0.530 55.847 56.400 -0.037 0.000 1.571 416 E CB -0.389 29.256 29.700 -0.091 0.000 1.395 416 E HN 0.631 nan 8.360 nan 0.000 0.438 417 W N 1.350 122.569 121.300 -0.135 0.000 2.264 417 W HA 0.042 4.701 4.660 -0.001 0.000 0.331 417 W C 1.049 177.360 176.519 -0.346 0.000 1.364 417 W CA -0.472 56.652 57.345 -0.368 0.000 1.253 417 W CB 0.603 29.616 29.460 -0.744 0.000 1.215 417 W HN 0.085 nan 8.180 nan 0.000 0.561 418 D N 2.537 122.968 120.400 0.051 0.000 2.182 418 D HA -0.242 4.397 4.640 -0.001 0.000 0.201 418 D C 2.248 178.557 176.300 0.015 0.000 0.986 418 D CA 1.884 55.906 54.000 0.036 0.000 0.847 418 D CB -0.285 40.547 40.800 0.053 0.000 0.942 418 D HN 0.547 nan 8.370 nan 0.000 0.467 419 M N -1.452 118.106 119.600 -0.071 0.000 2.358 419 M HA -0.087 4.392 4.480 -0.001 0.000 0.264 419 M C 1.397 177.739 176.300 0.070 0.000 1.064 419 M CA 1.192 56.461 55.300 -0.051 0.000 1.093 419 M CB -0.448 32.084 32.600 -0.112 0.000 1.401 419 M HN -0.199 nan 8.290 nan 0.000 0.440 420 F N 1.381 121.423 119.950 0.152 0.000 2.206 420 F HA -0.035 4.492 4.527 -0.001 0.000 0.298 420 F C 2.906 178.823 175.800 0.195 0.000 1.090 420 F CA 1.231 59.318 58.000 0.145 0.000 1.323 420 F CB -1.415 37.702 39.000 0.195 0.000 1.028 420 F HN 0.180 nan 8.300 nan 0.000 0.492 421 K N 0.302 120.906 120.400 0.341 0.000 2.280 421 K HA -0.093 4.226 4.320 -0.001 0.000 0.202 421 K C 1.381 178.139 176.600 0.264 0.000 1.047 421 K CA 1.180 57.634 56.287 0.278 0.000 0.942 421 K CB -0.448 32.158 32.500 0.176 0.000 0.739 421 K HN 0.270 nan 8.250 nan 0.000 0.457 422 E N 0.115 120.432 120.200 0.195 0.000 2.474 422 E HA 0.206 4.555 4.350 -0.001 0.000 0.195 422 E C 0.398 177.053 176.600 0.092 0.000 1.039 422 E CA -0.101 56.380 56.400 0.135 0.000 0.881 422 E CB -0.107 29.648 29.700 0.091 0.000 0.970 422 E HN 0.436 nan 8.360 nan 0.000 0.486 423 L N 1.460 122.691 121.223 0.014 0.000 2.473 423 L HA 0.053 4.392 4.340 -0.001 0.000 0.268 423 L C 0.795 177.551 176.870 -0.190 0.000 1.215 423 L CA -0.155 54.550 54.840 -0.226 0.000 0.823 423 L CB 0.325 41.973 42.059 -0.686 0.000 1.099 423 L HN -0.152 nan 8.230 nan 0.000 0.483 424 D N 0.523 120.926 120.400 0.006 0.000 2.453 424 D HA 0.054 4.694 4.640 -0.001 0.000 0.223 424 D C 0.467 176.816 176.300 0.082 0.000 1.183 424 D CA 0.117 54.176 54.000 0.098 0.000 0.933 424 D CB 0.272 41.144 40.800 0.121 0.000 1.038 424 D HN 0.273 nan 8.370 nan 0.000 0.513 425 Y N 1.491 121.910 120.300 0.197 0.000 2.457 425 Y HA -0.009 4.540 4.550 -0.001 0.000 0.292 425 Y C 2.143 178.255 175.900 0.352 0.000 1.125 425 Y CA 0.454 58.705 58.100 0.252 0.000 1.254 425 Y CB 0.340 38.882 38.460 0.135 0.000 1.012 425 Y HN 0.403 nan 8.280 nan 0.000 0.555 426 E N 0.282 120.684 120.200 0.336 0.000 2.051 426 E HA -0.255 4.094 4.350 -0.001 0.000 0.192 426 E C 2.230 178.946 176.600 0.193 0.000 0.991 426 E CA 1.009 57.541 56.400 0.220 0.000 0.799 426 E CB -0.157 29.619 29.700 0.127 0.000 0.748 426 E HN 0.388 nan 8.360 nan 0.000 0.449 427 R N 1.065 121.660 120.500 0.157 0.000 2.083 427 R HA -0.163 4.176 4.340 -0.001 0.000 0.237 427 R C 2.326 178.726 176.300 0.167 0.000 1.137 427 R CA 1.332 57.496 56.100 0.106 0.000 0.951 427 R CB -0.307 30.004 30.300 0.019 0.000 0.851 427 R HN 0.128 nan 8.270 nan 0.000 0.434 428 I N 0.187 120.918 120.570 0.268 0.000 2.163 428 I HA -0.328 3.841 4.170 -0.001 0.000 0.243 428 I C 2.744 179.024 176.117 0.272 0.000 1.085 428 I CA 1.548 63.020 61.300 0.288 0.000 1.347 428 I CB -0.618 37.562 38.000 0.300 0.000 1.044 428 I HN 0.399 nan 8.210 nan 0.000 0.408 429 H N 2.081 121.282 119.070 0.219 0.000 2.352 429 H HA -0.171 4.385 4.556 -0.001 0.000 0.299 429 H C 2.102 177.373 175.328 -0.095 0.000 1.097 429 H CA 1.650 57.634 56.048 -0.107 0.000 1.311 429 H CB 0.165 29.671 29.762 -0.426 0.000 1.377 429 H HN 0.298 nan 8.280 nan 0.000 0.504 430 K N 0.218 120.629 120.400 0.019 0.000 2.103 430 K HA -0.113 4.206 4.320 -0.001 0.000 0.207 430 K C 1.912 178.461 176.600 -0.086 0.000 1.048 430 K CA 1.053 57.319 56.287 -0.034 0.000 0.930 430 K CB 0.127 32.635 32.500 0.013 0.000 0.716 430 K HN 0.220 nan 8.250 nan 0.000 0.444 431 K N -0.096 120.272 120.400 -0.053 0.000 2.358 431 K HA 0.194 4.513 4.320 -0.001 0.000 0.197 431 K C 0.778 177.331 176.600 -0.078 0.000 1.025 431 K CA 0.038 56.294 56.287 -0.052 0.000 1.104 431 K CB 0.392 32.886 32.500 -0.011 0.000 0.855 431 K HN 0.152 nan 8.250 nan 0.000 0.531 432 M N 1.295 120.826 119.600 -0.114 0.000 2.228 432 M HA 0.183 4.662 4.480 -0.001 0.000 0.326 432 M C 0.383 176.563 176.300 -0.201 0.000 1.122 432 M CA -0.276 54.948 55.300 -0.126 0.000 1.161 432 M CB 0.674 33.227 32.600 -0.079 0.000 1.437 432 M HN -0.120 nan 8.290 nan 0.000 0.465 433 L N 1.931 123.022 121.223 -0.220 0.000 2.472 433 L HA 0.239 4.578 4.340 -0.001 0.000 0.260 433 L C 0.088 176.840 176.870 -0.198 0.000 1.209 433 L CA -0.303 54.378 54.840 -0.266 0.000 0.817 433 L CB 0.160 41.908 42.059 -0.520 0.000 1.106 433 L HN 0.485 nan 8.230 nan 0.000 0.479 434 K N 1.645 121.974 120.400 -0.119 0.000 2.324 434 K HA 0.505 4.824 4.320 -0.001 0.000 0.253 434 K C -2.284 174.370 176.600 0.090 0.000 0.932 434 K CA -1.708 54.540 56.287 -0.065 0.000 0.799 434 K CB 1.274 33.713 32.500 -0.103 0.000 1.154 434 K HN 0.369 nan 8.250 nan 0.000 0.425 435 P HA 0.287 nan 4.420 nan 0.000 0.275 435 P C -0.969 176.263 177.300 -0.112 0.000 1.228 435 P CA -0.517 62.550 63.100 -0.054 0.000 0.786 435 P CB 0.740 32.369 31.700 -0.119 0.000 0.927 436 A N 2.477 125.162 122.820 -0.226 0.000 2.301 436 A HA 0.642 4.962 4.320 -0.001 0.000 0.312 436 A C -0.800 176.716 177.584 -0.113 0.000 1.182 436 A CA -0.507 51.498 52.037 -0.053 0.000 0.826 436 A CB 0.058 18.996 19.000 -0.103 0.000 1.134 436 A HN 0.423 nan 8.150 nan 0.000 0.501 437 F N 1.123 121.157 119.950 0.139 0.000 2.508 437 F HA 0.633 5.159 4.527 -0.001 0.000 0.325 437 F C 0.069 175.778 175.800 -0.152 0.000 1.090 437 F CA -0.532 57.413 58.000 -0.092 0.000 0.945 437 F CB 1.948 40.811 39.000 -0.228 0.000 1.156 437 F HN 0.329 nan 8.300 nan 0.000 0.463 438 I N 2.969 123.391 120.570 -0.247 0.000 2.436 438 I HA 0.351 4.520 4.170 -0.001 0.000 0.289 438 I C -1.323 174.500 176.117 -0.490 0.000 1.010 438 I CA -0.557 60.560 61.300 -0.305 0.000 1.098 438 I CB 1.532 39.273 38.000 -0.431 0.000 1.266 438 I HN 0.367 nan 8.210 nan 0.000 0.434 439 F N 3.803 123.766 119.950 0.021 0.000 2.366 439 F HA 0.260 4.787 4.527 -0.001 0.000 0.366 439 F C 0.156 176.074 175.800 0.197 0.000 1.096 439 F CA -0.784 57.248 58.000 0.054 0.000 1.060 439 F CB 0.843 39.774 39.000 -0.114 0.000 1.282 439 F HN 0.347 nan 8.300 nan 0.000 0.450 440 D N 2.579 123.153 120.400 0.289 0.000 2.411 440 D HA 0.223 4.862 4.640 -0.001 0.000 0.225 440 D C 1.028 177.477 176.300 0.247 0.000 1.156 440 D CA -0.110 54.023 54.000 0.222 0.000 0.874 440 D CB 1.332 42.203 40.800 0.117 0.000 1.034 440 D HN 0.693 nan 8.370 nan 0.000 0.502 441 G N 3.341 112.229 108.800 0.147 0.000 3.181 441 G HA2 -0.042 3.917 3.960 -0.001 0.000 0.219 441 G HA3 -0.042 3.917 3.960 -0.001 0.000 0.219 441 G C 1.091 175.884 174.900 -0.178 0.000 1.182 441 G CA -0.168 44.762 45.100 -0.282 0.000 0.791 441 G HN 0.316 nan 8.290 nan 0.000 0.537 442 R N -0.391 120.091 120.500 -0.030 0.000 2.539 442 R HA 0.178 4.518 4.340 -0.001 0.000 0.342 442 R C 0.579 176.886 176.300 0.012 0.000 0.941 442 R CA -0.481 55.608 56.100 -0.019 0.000 1.146 442 R CB 0.251 30.562 30.300 0.019 0.000 1.541 442 R HN 0.146 nan 8.270 nan 0.000 0.525 443 R N 0.358 120.883 120.500 0.041 0.000 3.758 443 R HA -0.107 4.232 4.340 -0.001 0.000 0.299 443 R C 1.092 177.426 176.300 0.057 0.000 1.182 443 R CA 1.054 57.184 56.100 0.050 0.000 0.809 443 R CB -2.908 27.401 30.300 0.016 0.000 1.249 443 R HN 0.271 nan 8.270 nan 0.000 0.497 444 V N -3.240 116.724 119.914 0.084 0.000 3.306 444 V HA 0.059 4.178 4.120 -0.001 0.000 0.264 444 V C 1.745 177.901 176.094 0.102 0.000 1.149 444 V CA 1.145 63.504 62.300 0.098 0.000 1.143 444 V CB -0.147 31.766 31.823 0.151 0.000 0.767 444 V HN 0.283 nan 8.190 nan 0.000 0.476 445 L N 0.281 121.566 121.223 0.102 0.000 2.700 445 L HA 0.381 4.720 4.340 -0.001 0.000 0.234 445 L C -0.068 176.893 176.870 0.152 0.000 1.156 445 L CA -0.344 54.549 54.840 0.087 0.000 0.946 445 L CB -0.301 41.747 42.059 -0.020 0.000 1.216 445 L HN 0.225 nan 8.230 nan 0.000 0.493 446 D N 1.465 121.912 120.400 0.078 0.000 2.493 446 D HA 0.248 4.887 4.640 -0.001 0.000 0.240 446 D C 1.334 177.628 176.300 -0.010 0.000 1.142 446 D CA 1.456 55.429 54.000 -0.045 0.000 0.872 446 D CB 1.058 41.821 40.800 -0.062 0.000 1.173 446 D HN 0.314 nan 8.370 nan 0.000 0.467 447 G N 1.487 110.261 108.800 -0.043 0.000 2.176 447 G HA2 -0.277 3.682 3.960 -0.001 0.000 0.253 447 G HA3 -0.277 3.682 3.960 -0.001 0.000 0.253 447 G C 0.693 175.619 174.900 0.043 0.000 0.979 447 G CA -0.054 45.045 45.100 -0.001 0.000 0.641 447 G HN 0.416 nan 8.290 nan 0.000 0.530 448 L N 0.578 121.856 121.223 0.092 0.000 2.766 448 L HA 0.393 4.732 4.340 -0.001 0.000 0.242 448 L C 1.915 178.832 176.870 0.079 0.000 1.136 448 L CA 0.325 55.204 54.840 0.064 0.000 0.933 448 L CB -0.504 41.559 42.059 0.006 0.000 1.241 448 L HN 0.429 nan 8.230 nan 0.000 0.522 449 H N -0.053 118.980 119.070 -0.063 0.000 2.321 449 H HA -0.103 4.452 4.556 -0.001 0.000 0.300 449 H C 1.378 176.679 175.328 -0.045 0.000 1.087 449 H CA 1.397 57.405 56.048 -0.066 0.000 1.319 449 H CB 0.378 30.111 29.762 -0.048 0.000 1.379 449 H HN 0.373 nan 8.280 nan 0.000 0.501 450 N N 1.039 119.797 118.700 0.097 0.000 2.069 450 N HA -0.147 4.592 4.740 -0.001 0.000 0.191 450 N C 1.891 177.412 175.510 0.018 0.000 1.031 450 N CA 1.276 54.352 53.050 0.042 0.000 0.852 450 N CB -0.360 38.147 38.487 0.033 0.000 1.018 450 N HN 0.475 nan 8.380 nan 0.000 0.423 451 E N 0.786 120.999 120.200 0.021 0.000 2.051 451 E HA -0.037 4.313 4.350 -0.001 0.000 0.192 451 E C 2.212 178.820 176.600 0.014 0.000 0.991 451 E CA 0.622 57.032 56.400 0.018 0.000 0.799 451 E CB -0.352 29.366 29.700 0.030 0.000 0.748 451 E HN 0.285 nan 8.360 nan 0.000 0.449 452 L N 0.546 121.762 121.223 -0.011 0.000 2.083 452 L HA -0.232 4.107 4.340 -0.001 0.000 0.209 452 L C 2.489 179.397 176.870 0.063 0.000 1.083 452 L CA 1.284 56.141 54.840 0.027 0.000 0.752 452 L CB -0.373 41.565 42.059 -0.203 0.000 0.899 452 L HN 0.173 nan 8.230 nan 0.000 0.433 453 Q N -0.720 119.072 119.800 -0.014 0.000 2.124 453 Q HA -0.168 4.172 4.340 -0.001 0.000 0.202 453 Q C 2.192 178.155 176.000 -0.062 0.000 0.977 453 Q CA 1.987 57.770 55.803 -0.035 0.000 0.850 453 Q CB -0.157 28.564 28.738 -0.028 0.000 0.901 453 Q HN 0.486 nan 8.270 nan 0.000 0.429 454 T N 1.091 115.617 114.554 -0.048 0.000 2.777 454 T HA -0.096 4.254 4.350 -0.001 0.000 0.266 454 T C 1.815 176.442 174.700 -0.121 0.000 1.040 454 T CA 0.881 62.943 62.100 -0.063 0.000 1.141 454 T CB -0.158 68.690 68.868 -0.033 0.000 0.868 454 T HN 0.212 nan 8.240 nan 0.000 0.444 455 I N 0.545 121.033 120.570 -0.137 0.000 2.264 455 I HA -0.097 4.072 4.170 -0.001 0.000 0.248 455 I C 2.204 177.914 176.117 -0.679 0.000 1.111 455 I CA 1.523 62.647 61.300 -0.295 0.000 1.382 455 I CB -0.256 37.645 38.000 -0.166 0.000 1.060 455 I HN 0.548 nan 8.210 nan 0.000 0.418 456 G N -0.749 107.708 108.800 -0.571 0.000 2.425 456 G HA2 -0.147 3.813 3.960 -0.001 0.000 0.177 456 G HA3 -0.147 3.813 3.960 -0.001 0.000 0.177 456 G C 0.164 174.848 174.900 -0.361 0.000 0.999 456 G CA -0.720 44.053 45.100 -0.546 0.000 0.723 456 G HN 0.126 nan 8.290 nan 0.000 0.491 457 F N 1.809 121.622 119.950 -0.228 0.000 2.518 457 F HA 0.461 4.987 4.527 -0.001 0.000 0.359 457 F C 1.099 176.751 175.800 -0.246 0.000 1.118 457 F CA 0.153 58.053 58.000 -0.167 0.000 1.287 457 F CB 0.906 39.802 39.000 -0.173 0.000 1.132 457 F HN 0.088 nan 8.300 nan 0.000 0.587 458 Q N 3.653 123.359 119.800 -0.157 0.000 2.337 458 Q HA 0.368 4.707 4.340 -0.001 0.000 0.255 458 Q C -1.195 174.680 176.000 -0.209 0.000 0.997 458 Q CA -0.749 54.918 55.803 -0.226 0.000 0.925 458 Q CB 0.777 29.274 28.738 -0.400 0.000 1.212 458 Q HN 0.595 nan 8.270 nan 0.000 0.436 459 I N 3.816 124.257 120.570 -0.215 0.000 2.354 459 I HA 0.326 4.495 4.170 -0.001 0.000 0.292 459 I C -1.202 174.759 176.117 -0.260 0.000 0.989 459 I CA -0.031 61.064 61.300 -0.342 0.000 1.188 459 I CB 1.395 39.076 38.000 -0.531 0.000 1.342 459 I HN 0.661 nan 8.210 nan 0.000 0.457 460 E N 4.467 124.519 120.200 -0.247 0.000 2.266 460 E HA 0.577 4.927 4.350 -0.001 0.000 0.268 460 E C -1.112 175.538 176.600 0.083 0.000 0.879 460 E CA -0.893 55.480 56.400 -0.045 0.000 0.762 460 E CB 2.300 31.999 29.700 -0.003 0.000 1.199 460 E HN 0.581 nan 8.360 nan 0.000 0.422 461 T N 1.284 115.948 114.554 0.183 0.000 2.864 461 T HA 0.443 4.793 4.350 -0.001 0.000 0.299 461 T C -0.793 174.027 174.700 0.200 0.000 1.166 461 T CA -0.598 61.638 62.100 0.227 0.000 1.007 461 T CB 0.893 69.901 68.868 0.233 0.000 1.219 461 T HN 0.348 nan 8.240 nan 0.000 0.506 462 I N 2.447 123.124 120.570 0.179 0.000 2.648 462 I HA 0.337 4.506 4.170 -0.001 0.000 0.284 462 I C 1.560 177.719 176.117 0.070 0.000 1.153 462 I CA 1.335 62.703 61.300 0.115 0.000 1.426 462 I CB 0.672 38.694 38.000 0.036 0.000 1.381 462 I HN 1.046 nan 8.210 nan 0.000 0.571 463 G N 4.364 113.200 108.800 0.060 0.000 2.143 463 G HA2 -0.295 3.665 3.960 -0.001 0.000 0.248 463 G HA3 -0.295 3.665 3.960 -0.001 0.000 0.248 463 G C 0.070 174.992 174.900 0.037 0.000 0.991 463 G CA 0.106 45.230 45.100 0.040 0.000 0.689 463 G HN 0.643 nan 8.290 nan 0.000 0.522 464 K N 0.059 120.491 120.400 0.054 0.000 2.507 464 K HA 0.501 4.821 4.320 -0.001 0.000 0.251 464 K C 0.073 176.710 176.600 0.062 0.000 0.943 464 K CA -0.933 55.382 56.287 0.047 0.000 0.794 464 K CB 1.120 33.649 32.500 0.048 0.000 1.188 464 K HN 0.120 nan 8.250 nan 0.000 0.428 465 K N 3.074 123.503 120.400 0.048 0.000 2.401 465 K HA 0.116 4.435 4.320 -0.001 0.000 0.278 465 K C -0.172 176.463 176.600 0.058 0.000 1.018 465 K CA -0.453 55.864 56.287 0.050 0.000 0.981 465 K CB 0.734 33.256 32.500 0.038 0.000 0.933 465 K HN 0.335 nan 8.250 nan 0.000 0.477 466 V N 0.000 119.950 119.914 0.060 0.000 2.409 466 V HA 0.000 4.119 4.120 -0.001 0.000 0.244 466 V CA 0.000 62.336 62.300 0.060 0.000 1.235 466 V CB 0.000 31.861 31.823 0.064 0.000 1.184 466 V HN 0.000 nan 8.190 nan 0.000 0.556