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 2iht_1_C DATA FIRST_RESID 11 DATA SEQUENCE KPTAAHALLS RLRDHGVGKV FGVVGREAAS ILFDEVEGID FVLTRHEFTA DATA SEQUENCE GVAADVLARI TGRPQACWAT LGPGXTNLST GIATSVLDRS PVIALAAQSE DATA SEQUENCE SHDIFPNDTH QCLDSVAIVA PXSKYAVELQ RPHEITDLVD SAVNAAXTEP DATA SEQUENCE VGPSFISLPV DLLGSSEGID XXXXNPPANT PAKPVGVVAD GWQKAADQAA DATA SEQUENCE ALLAEAKHPV LVVGAAAIRS GAVPAIRALA ERLNIPVITT YIAKGVLPVG DATA SEQUENCE HELNYGAVTG YXDGILNFPA LQTXFAPVDL VLTVGYDYAE DLRPSXWQKG DATA SEQUENCE IEKKTVRISP TVNPIPRVYR PDVDVVTDVL AFVEHFETAT ASFGAKQRHD DATA SEQUENCE IEPLRARIAE FLADPETYED GXRVHQVIDS XNTVXEEAAE PGEGTIVSDI DATA SEQUENCE GFFRHYGVLF ARADQPFGFL TSAGCSSFGY GIPAAIGAQX ARPDQPTFLI DATA SEQUENCE AGDGGFHSNS SDLETIARLN LPIVTVVVNN DTNGLIELYQ NIGHHRSHDP DATA SEQUENCE AVKFGGVDFV ALAEANGVDA TRATNREELL AALRKGAELG RPFLIEVPVN DATA SEQUENCE YDFQPGGFGA LSI VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 11 K HA 0.000 nan 4.320 nan 0.000 0.191 11 K C 0.000 176.556 176.600 -0.074 0.000 0.988 11 K CA 0.000 56.252 56.287 -0.059 0.000 0.838 11 K CB 0.000 32.477 32.500 -0.038 0.000 1.064 12 P HA 0.046 nan 4.420 nan 0.000 0.268 12 P C -0.308 176.974 177.300 -0.030 0.000 1.204 12 P CA -0.172 62.841 63.100 -0.145 0.000 0.768 12 P CB 0.623 32.138 31.700 -0.309 0.000 0.842 13 T N -1.700 112.864 114.554 0.017 0.000 2.889 13 T HA 0.577 4.927 4.350 0.000 0.000 0.278 13 T C 1.257 175.999 174.700 0.071 0.000 0.995 13 T CA -0.209 61.913 62.100 0.036 0.000 0.966 13 T CB 0.868 69.745 68.868 0.016 0.000 1.237 13 T HN 0.190 nan 8.240 nan 0.000 0.591 14 A N 0.094 122.948 122.820 0.056 0.000 2.024 14 A HA 0.189 4.509 4.320 0.000 0.000 0.220 14 A C 2.561 180.176 177.584 0.051 0.000 1.164 14 A CA 1.935 54.007 52.037 0.058 0.000 0.643 14 A CB -1.617 17.410 19.000 0.045 0.000 0.806 14 A HN 1.213 nan 8.150 nan 0.000 0.451 15 A N -1.041 121.796 122.820 0.028 0.000 1.877 15 A HA -0.242 4.078 4.320 0.000 0.000 0.216 15 A C 2.163 179.734 177.584 -0.021 0.000 1.186 15 A CA 1.776 53.796 52.037 -0.027 0.000 0.620 15 A CB -0.944 17.993 19.000 -0.105 0.000 0.822 15 A HN 0.761 nan 8.150 nan 0.000 0.443 16 H N -0.047 118.990 119.070 -0.056 0.000 2.357 16 H HA -0.032 4.524 4.556 0.000 0.000 0.301 16 H C 2.273 177.598 175.328 -0.006 0.000 1.082 16 H CA 1.698 57.724 56.048 -0.038 0.000 1.342 16 H CB -0.197 29.547 29.762 -0.030 0.000 1.389 16 H HN 0.399 nan 8.280 nan 0.000 0.511 17 A N 1.357 124.226 122.820 0.081 0.000 1.933 17 A HA -0.127 4.193 4.320 0.000 0.000 0.218 17 A C 2.535 180.117 177.584 -0.003 0.000 1.175 17 A CA 1.335 53.399 52.037 0.046 0.000 0.628 17 A CB -0.762 18.296 19.000 0.095 0.000 0.814 17 A HN 0.431 nan 8.150 nan 0.000 0.444 18 L N -0.085 121.147 121.223 0.016 0.000 1.976 18 L HA -0.112 4.228 4.340 0.000 0.000 0.209 18 L C 2.282 179.170 176.870 0.029 0.000 1.071 18 L CA 1.886 56.754 54.840 0.046 0.000 0.746 18 L CB -0.694 41.423 42.059 0.098 0.000 0.890 18 L HN 0.391 nan 8.230 nan 0.000 0.432 19 L N -0.996 120.212 121.223 -0.025 0.000 2.083 19 L HA -0.194 4.146 4.340 0.000 0.000 0.209 19 L C 2.731 179.554 176.870 -0.078 0.000 1.083 19 L CA 1.441 56.263 54.840 -0.031 0.000 0.752 19 L CB -0.853 41.163 42.059 -0.070 0.000 0.899 19 L HN 0.419 nan 8.230 nan 0.000 0.433 20 S N -0.144 115.443 115.700 -0.189 0.000 2.368 20 S HA -0.230 4.240 4.470 0.000 0.000 0.225 20 S C 2.199 176.763 174.600 -0.059 0.000 1.030 20 S CA 1.427 59.519 58.200 -0.179 0.000 0.999 20 S CB -0.092 62.946 63.200 -0.270 0.000 0.844 20 S HN 0.239 nan 8.310 nan 0.000 0.459 21 R N 0.933 121.426 120.500 -0.012 0.000 2.115 21 R HA 0.225 4.565 4.340 0.000 0.000 0.226 21 R C 2.178 178.556 176.300 0.130 0.000 1.100 21 R CA 1.147 57.279 56.100 0.052 0.000 0.980 21 R CB -0.946 29.405 30.300 0.085 0.000 0.875 21 R HN 0.490 nan 8.270 nan 0.000 0.445 22 L N -0.189 121.100 121.223 0.110 0.000 2.017 22 L HA -0.163 4.178 4.340 0.000 0.000 0.208 22 L C 2.504 179.434 176.870 0.101 0.000 1.073 22 L CA 1.702 56.620 54.840 0.129 0.000 0.745 22 L CB -0.429 41.696 42.059 0.110 0.000 0.894 22 L HN 0.119 nan 8.230 nan 0.000 0.432 23 R N 0.619 121.145 120.500 0.043 0.000 2.091 23 R HA -0.188 4.152 4.340 0.000 0.000 0.238 23 R C 1.816 178.117 176.300 0.002 0.000 1.136 23 R CA 1.783 57.893 56.100 0.016 0.000 0.959 23 R CB -0.581 29.711 30.300 -0.013 0.000 0.856 23 R HN 0.283 nan 8.270 nan 0.000 0.437 24 D N -0.492 119.890 120.400 -0.031 0.000 2.158 24 D HA -0.172 4.468 4.640 0.000 0.000 0.197 24 D C 1.127 177.327 176.300 -0.167 0.000 0.995 24 D CA 1.229 55.161 54.000 -0.113 0.000 0.846 24 D CB -0.263 40.431 40.800 -0.178 0.000 0.941 24 D HN 0.450 nan 8.370 nan 0.000 0.456 25 H N -0.951 118.120 119.070 0.002 0.000 2.536 25 H HA 0.259 4.815 4.556 0.000 0.000 0.276 25 H C 1.439 176.772 175.328 0.008 0.000 1.019 25 H CA 0.794 56.845 56.048 0.004 0.000 1.159 25 H CB 0.456 30.220 29.762 0.003 0.000 1.373 25 H HN 0.222 nan 8.280 nan 0.000 0.584 26 G N 0.692 109.540 108.800 0.081 0.000 2.175 26 G HA2 -0.285 3.675 3.960 0.000 0.000 0.244 26 G HA3 -0.285 3.675 3.960 0.000 0.000 0.244 26 G C 0.329 175.261 174.900 0.054 0.000 0.982 26 G CA 0.272 45.405 45.100 0.055 0.000 0.641 26 G HN 0.222 nan 8.290 nan 0.000 0.527 27 V N 0.860 120.815 119.914 0.067 0.000 2.521 27 V HA 0.529 4.649 4.120 0.000 0.000 0.286 27 V C 1.570 177.679 176.094 0.025 0.000 1.034 27 V CA 1.178 63.510 62.300 0.054 0.000 1.045 27 V CB 1.297 33.163 31.823 0.072 0.000 0.974 27 V HN 0.645 nan 8.190 nan 0.000 0.480 28 G N 4.429 113.231 108.800 0.003 0.000 2.944 28 G HA2 0.190 4.150 3.960 0.000 0.000 0.223 28 G HA3 0.190 4.150 3.960 0.000 0.000 0.223 28 G C 0.425 175.276 174.900 -0.082 0.000 1.071 28 G CA -0.118 44.967 45.100 -0.025 0.000 0.806 28 G HN 0.493 nan 8.290 nan 0.000 0.538 29 K N 0.604 120.927 120.400 -0.128 0.000 2.464 29 K HA 0.588 4.909 4.320 0.000 0.000 0.253 29 K C -1.555 174.840 176.600 -0.342 0.000 0.933 29 K CA -0.609 55.479 56.287 -0.332 0.000 0.801 29 K CB 2.973 35.135 32.500 -0.563 0.000 1.271 29 K HN -0.122 nan 8.250 nan 0.000 0.430 30 V N 3.593 123.225 119.914 -0.470 0.000 2.378 30 V HA 0.410 4.530 4.120 0.000 0.000 0.288 30 V C -0.716 174.863 176.094 -0.858 0.000 1.016 30 V CA -0.841 61.215 62.300 -0.408 0.000 0.840 30 V CB 0.446 32.162 31.823 -0.179 0.000 0.994 30 V HN 0.512 nan 8.190 nan 0.000 0.431 31 F N 3.178 122.864 119.950 -0.439 0.000 2.396 31 F HA 0.834 5.361 4.527 0.000 0.000 0.343 31 F C 1.021 176.564 175.800 -0.427 0.000 1.104 31 F CA 0.360 58.065 58.000 -0.492 0.000 1.161 31 F CB 1.653 40.498 39.000 -0.259 0.000 1.146 31 F HN 0.712 nan 8.300 nan 0.000 0.522 32 G N 0.929 109.540 108.800 -0.314 0.000 2.323 32 G HA2 0.449 4.409 3.960 0.000 0.000 0.291 32 G HA3 0.449 4.409 3.960 0.000 0.000 0.291 32 G C -2.358 172.736 174.900 0.323 0.000 1.278 32 G CA -0.782 44.386 45.100 0.114 0.000 0.860 32 G HN 0.455 nan 8.290 nan 0.000 0.504 33 V N 0.319 120.486 119.914 0.422 0.000 2.531 33 V HA 0.584 4.704 4.120 0.000 0.000 0.301 33 V C 0.036 176.350 176.094 0.367 0.000 1.034 33 V CA -0.701 61.795 62.300 0.327 0.000 0.865 33 V CB 1.422 33.347 31.823 0.170 0.000 0.995 33 V HN 0.722 nan 8.190 nan 0.000 0.424 34 V N 4.166 124.188 119.914 0.180 0.000 2.509 34 V HA 0.730 4.851 4.120 0.000 0.000 0.284 34 V C 0.939 177.121 176.094 0.147 0.000 1.047 34 V CA 0.374 62.758 62.300 0.139 0.000 0.952 34 V CB 1.271 32.980 31.823 -0.189 0.000 0.988 34 V HN 0.971 nan 8.190 nan 0.000 0.469 35 G N 3.497 112.425 108.800 0.213 0.000 2.890 35 G HA2 0.320 4.280 3.960 0.000 0.000 0.189 35 G HA3 0.320 4.280 3.960 0.000 0.000 0.189 35 G C 0.821 175.792 174.900 0.118 0.000 1.342 35 G CA -0.243 44.941 45.100 0.141 0.000 1.026 35 G HN 0.755 nan 8.290 nan 0.000 0.579 36 R N -0.011 120.549 120.500 0.100 0.000 2.293 36 R HA -0.033 4.307 4.340 0.000 0.000 0.219 36 R C 1.648 177.998 176.300 0.084 0.000 1.091 36 R CA 1.797 57.944 56.100 0.079 0.000 1.004 36 R CB -0.277 30.068 30.300 0.075 0.000 0.865 36 R HN 0.546 nan 8.270 nan 0.000 0.469 37 E N 1.603 121.879 120.200 0.127 0.000 2.463 37 E HA -0.138 4.212 4.350 0.000 0.000 0.201 37 E C 1.500 178.154 176.600 0.090 0.000 1.045 37 E CA 1.094 57.579 56.400 0.142 0.000 0.872 37 E CB -0.054 29.803 29.700 0.262 0.000 0.797 37 E HN 0.501 nan 8.360 nan 0.000 0.538 38 A N 1.663 124.519 122.820 0.061 0.000 2.076 38 A HA -0.003 4.317 4.320 0.000 0.000 0.220 38 A C 2.466 180.030 177.584 -0.032 0.000 1.160 38 A CA 1.702 53.730 52.037 -0.014 0.000 0.653 38 A CB -0.591 18.401 19.000 -0.014 0.000 0.801 38 A HN 0.432 nan 8.150 nan 0.000 0.455 39 A N -1.090 121.729 122.820 -0.002 0.000 2.019 39 A HA -0.004 4.316 4.320 0.000 0.000 0.219 39 A C 2.269 179.842 177.584 -0.019 0.000 1.164 39 A CA 1.964 53.997 52.037 -0.006 0.000 0.644 39 A CB -0.375 18.632 19.000 0.013 0.000 0.805 39 A HN 0.434 nan 8.150 nan 0.000 0.449 40 S N -1.963 113.725 115.700 -0.020 0.000 2.497 40 S HA 0.382 4.852 4.470 0.000 0.000 0.218 40 S C 0.316 174.855 174.600 -0.102 0.000 1.023 40 S CA -0.010 58.171 58.200 -0.031 0.000 0.913 40 S CB 0.143 63.350 63.200 0.011 0.000 0.800 40 S HN 0.491 nan 8.310 nan 0.000 0.505 41 I N 1.085 121.544 120.570 -0.184 0.000 2.548 41 I HA 0.331 4.501 4.170 0.000 0.000 0.287 41 I C -0.126 175.707 176.117 -0.473 0.000 1.103 41 I CA -0.486 60.559 61.300 -0.425 0.000 1.049 41 I CB 1.351 38.927 38.000 -0.706 0.000 1.232 41 I HN 0.045 nan 8.210 nan 0.000 0.429 42 L N 6.921 127.915 121.223 -0.382 0.000 2.202 42 L HA 0.213 4.553 4.340 0.000 0.000 0.205 42 L C 0.346 177.132 176.870 -0.140 0.000 1.083 42 L CA 0.783 55.493 54.840 -0.216 0.000 0.790 42 L CB 0.047 42.036 42.059 -0.117 0.000 0.942 42 L HN 0.823 nan 8.230 nan 0.000 0.452 43 F N -0.459 119.366 119.950 -0.209 0.000 2.482 43 F HA -0.222 4.305 4.527 0.000 0.000 0.321 43 F C 0.833 176.578 175.800 -0.093 0.000 0.626 43 F CA 0.643 58.534 58.000 -0.181 0.000 1.642 43 F CB -1.783 37.064 39.000 -0.255 0.000 2.098 43 F HN 0.353 nan 8.300 nan 0.000 0.295 44 D N -0.634 119.779 120.400 0.022 0.000 2.431 44 D HA 0.142 4.782 4.640 0.000 0.000 0.213 44 D C 1.314 177.623 176.300 0.015 0.000 1.130 44 D CA 0.410 54.424 54.000 0.023 0.000 0.834 44 D CB -0.025 40.781 40.800 0.010 0.000 0.985 44 D HN 0.305 nan 8.370 nan 0.000 0.504 45 E N -0.099 120.100 120.200 -0.002 0.000 2.153 45 E HA 0.020 4.370 4.350 0.000 0.000 0.194 45 E C 0.148 176.810 176.600 0.104 0.000 0.988 45 E CA 0.746 57.181 56.400 0.059 0.000 0.811 45 E CB 0.313 30.047 29.700 0.057 0.000 0.746 45 E HN 0.138 nan 8.360 nan 0.000 0.466 46 V N 1.244 121.173 119.914 0.024 0.000 2.483 46 V HA 0.131 4.251 4.120 0.000 0.000 0.297 46 V C -0.282 175.819 176.094 0.011 0.000 1.027 46 V CA -1.016 61.281 62.300 -0.005 0.000 0.855 46 V CB 1.699 33.458 31.823 -0.107 0.000 0.995 46 V HN 0.050 nan 8.190 nan 0.000 0.424 47 E N 3.140 123.352 120.200 0.020 0.000 2.414 47 E HA 0.367 4.717 4.350 0.000 0.000 0.263 47 E C 1.206 177.809 176.600 0.005 0.000 1.000 47 E CA 1.112 57.521 56.400 0.015 0.000 0.914 47 E CB 0.634 30.344 29.700 0.017 0.000 0.948 47 E HN 1.100 nan 8.360 nan 0.000 0.444 48 G N 3.868 112.669 108.800 0.003 0.000 2.175 48 G HA2 -0.262 3.698 3.960 0.000 0.000 0.244 48 G HA3 -0.262 3.698 3.960 0.000 0.000 0.244 48 G C 0.034 174.930 174.900 -0.007 0.000 0.982 48 G CA 0.137 45.236 45.100 -0.003 0.000 0.641 48 G HN 0.572 nan 8.290 nan 0.000 0.527 49 I N 1.634 122.204 120.570 -0.001 0.000 2.439 49 I HA 0.456 4.626 4.170 0.000 0.000 0.285 49 I C -1.414 174.706 176.117 0.006 0.000 1.021 49 I CA -0.921 60.378 61.300 -0.001 0.000 1.091 49 I CB 1.222 39.233 38.000 0.018 0.000 1.242 49 I HN -0.038 nan 8.210 nan 0.000 0.439 50 D N 7.160 127.533 120.400 -0.046 0.000 2.248 50 D HA 0.249 4.890 4.640 0.000 0.000 0.246 50 D C -0.874 175.351 176.300 -0.125 0.000 1.027 50 D CA -0.125 53.843 54.000 -0.052 0.000 0.853 50 D CB 2.352 43.100 40.800 -0.086 0.000 1.243 50 D HN 0.249 nan 8.370 nan 0.000 0.462 51 F N 1.443 121.250 119.950 -0.238 0.000 2.412 51 F HA 0.235 4.762 4.527 0.000 0.000 0.348 51 F C -0.168 175.431 175.800 -0.335 0.000 1.102 51 F CA -0.329 57.433 58.000 -0.397 0.000 1.196 51 F CB 0.872 39.550 39.000 -0.537 0.000 1.144 51 F HN -0.019 nan 8.300 nan 0.000 0.541 52 V N 7.889 127.243 119.914 -0.934 0.000 2.304 52 V HA 0.212 4.332 4.120 0.000 0.000 0.278 52 V C -0.536 175.275 176.094 -0.472 0.000 1.018 52 V CA -0.839 61.114 62.300 -0.577 0.000 0.814 52 V CB 0.949 32.351 31.823 -0.703 0.000 1.021 52 V HN 0.579 nan 8.190 nan 0.000 0.440 53 L N 6.568 127.753 121.223 -0.064 0.000 2.313 53 L HA 0.593 4.933 4.340 0.000 0.000 0.282 53 L C 0.741 177.651 176.870 0.066 0.000 1.092 53 L CA 0.877 55.794 54.840 0.128 0.000 0.831 53 L CB 1.174 43.360 42.059 0.212 0.000 1.159 53 L HN 0.862 nan 8.230 nan 0.000 0.442 54 T N 1.894 116.497 114.554 0.082 0.000 2.937 54 T HA 0.525 4.875 4.350 0.000 0.000 0.283 54 T C 0.993 175.747 174.700 0.090 0.000 1.012 54 T CA -0.802 61.343 62.100 0.075 0.000 0.997 54 T CB 1.252 70.162 68.868 0.070 0.000 1.136 54 T HN 0.519 nan 8.240 nan 0.000 0.551 55 R N -0.319 120.234 120.500 0.087 0.000 2.210 55 R HA 0.219 4.560 4.340 0.000 0.000 0.203 55 R C 0.557 176.945 176.300 0.145 0.000 1.010 55 R CA 0.553 56.709 56.100 0.093 0.000 1.008 55 R CB -0.666 29.674 30.300 0.067 0.000 0.923 55 R HN 0.780 nan 8.270 nan 0.000 0.469 56 H N -0.364 118.740 119.070 0.056 0.000 2.996 56 H HA 0.165 4.721 4.556 0.000 0.000 0.368 56 H C -0.129 175.259 175.328 0.100 0.000 1.185 56 H CA -0.270 55.826 56.048 0.080 0.000 1.160 56 H CB 2.019 31.833 29.762 0.086 0.000 1.820 56 H HN -0.222 nan 8.280 nan 0.000 0.547 57 E N 2.746 122.914 120.200 -0.054 0.000 2.153 57 E HA -0.123 4.227 4.350 0.000 0.000 0.194 57 E C 1.584 178.318 176.600 0.223 0.000 0.988 57 E CA 1.208 57.657 56.400 0.081 0.000 0.811 57 E CB -0.099 29.605 29.700 0.005 0.000 0.746 57 E HN 0.477 nan 8.360 nan 0.000 0.466 58 F N 1.566 121.717 119.950 0.335 0.000 2.091 58 F HA -0.287 4.240 4.527 0.000 0.000 0.299 58 F C 2.016 177.864 175.800 0.080 0.000 1.103 58 F CA 1.912 60.036 58.000 0.206 0.000 1.228 58 F CB -0.764 38.347 39.000 0.185 0.000 0.984 58 F HN -0.072 nan 8.300 nan 0.000 0.477 59 T N 0.907 115.419 114.554 -0.070 0.000 2.720 59 T HA -0.224 4.126 4.350 0.000 0.000 0.268 59 T C 2.229 176.769 174.700 -0.266 0.000 1.037 59 T CA 1.670 63.620 62.100 -0.251 0.000 1.144 59 T CB -0.983 67.855 68.868 -0.049 0.000 0.864 59 T HN 0.428 nan 8.240 nan 0.000 0.444 60 A N 1.446 124.201 122.820 -0.108 0.000 1.877 60 A HA 0.093 4.413 4.320 0.000 0.000 0.216 60 A C 2.673 180.146 177.584 -0.185 0.000 1.186 60 A CA 1.942 53.932 52.037 -0.078 0.000 0.620 60 A CB -1.446 17.587 19.000 0.056 0.000 0.822 60 A HN 0.516 nan 8.150 nan 0.000 0.443 61 G N -0.725 107.989 108.800 -0.143 0.000 2.440 61 G HA2 -0.122 3.838 3.960 0.000 0.000 0.218 61 G HA3 -0.122 3.838 3.960 0.000 0.000 0.218 61 G C 1.499 176.242 174.900 -0.263 0.000 1.154 61 G CA 1.321 46.337 45.100 -0.141 0.000 0.767 61 G HN 0.340 nan 8.290 nan 0.000 0.552 62 V N 1.360 121.022 119.914 -0.420 0.000 2.453 62 V HA -0.038 4.082 4.120 0.000 0.000 0.247 62 V C 3.281 179.081 176.094 -0.490 0.000 1.048 62 V CA 1.768 63.795 62.300 -0.456 0.000 1.049 62 V CB -0.626 30.786 31.823 -0.684 0.000 0.672 62 V HN 0.474 nan 8.190 nan 0.000 0.457 63 A N 0.216 122.676 122.820 -0.600 0.000 1.902 63 A HA -0.137 4.183 4.320 0.000 0.000 0.217 63 A C 2.433 179.485 177.584 -0.888 0.000 1.181 63 A CA 2.120 53.687 52.037 -0.785 0.000 0.623 63 A CB -0.757 17.621 19.000 -1.035 0.000 0.818 63 A HN 0.554 nan 8.150 nan 0.000 0.443 64 A N 0.048 122.374 122.820 -0.824 0.000 1.902 64 A HA -0.230 4.090 4.320 0.000 0.000 0.217 64 A C 1.971 179.405 177.584 -0.250 0.000 1.181 64 A CA 1.894 53.665 52.037 -0.443 0.000 0.623 64 A CB -0.697 18.206 19.000 -0.162 0.000 0.818 64 A HN 0.669 nan 8.150 nan 0.000 0.443 65 D N -0.009 120.253 120.400 -0.230 0.000 2.116 65 D HA -0.151 4.489 4.640 0.000 0.000 0.193 65 D C 1.906 178.100 176.300 -0.176 0.000 0.998 65 D CA 2.093 56.001 54.000 -0.155 0.000 0.836 65 D CB -0.059 40.674 40.800 -0.111 0.000 0.951 65 D HN 0.221 nan 8.370 nan 0.000 0.449 66 V N 0.952 120.726 119.914 -0.234 0.000 2.379 66 V HA -0.194 3.926 4.120 0.000 0.000 0.245 66 V C 2.652 178.621 176.094 -0.209 0.000 1.044 66 V CA 1.058 63.220 62.300 -0.231 0.000 1.036 66 V CB -0.504 31.159 31.823 -0.267 0.000 0.664 66 V HN 0.214 nan 8.190 nan 0.000 0.453 67 L N 0.959 122.060 121.223 -0.204 0.000 2.042 67 L HA -0.130 4.210 4.340 0.000 0.000 0.210 67 L C 2.438 179.261 176.870 -0.079 0.000 1.076 67 L CA 2.379 57.153 54.840 -0.110 0.000 0.749 67 L CB -0.904 41.123 42.059 -0.053 0.000 0.893 67 L HN 0.243 nan 8.230 nan 0.000 0.432 68 A N -0.596 122.168 122.820 -0.092 0.000 1.902 68 A HA -0.243 4.077 4.320 0.000 0.000 0.217 68 A C 2.514 180.040 177.584 -0.096 0.000 1.181 68 A CA 1.720 53.718 52.037 -0.066 0.000 0.623 68 A CB -0.615 18.350 19.000 -0.058 0.000 0.818 68 A HN 0.499 nan 8.150 nan 0.000 0.443 69 R N -0.261 120.131 120.500 -0.180 0.000 2.080 69 R HA -0.105 4.235 4.340 0.000 0.000 0.236 69 R C 1.918 178.024 176.300 -0.323 0.000 1.137 69 R CA 2.048 57.953 56.100 -0.325 0.000 0.943 69 R CB -0.405 29.580 30.300 -0.525 0.000 0.846 69 R HN 0.541 nan 8.270 nan 0.000 0.431 70 I N 0.174 120.599 120.570 -0.241 0.000 2.233 70 I HA -0.213 3.957 4.170 0.000 0.000 0.243 70 I C 2.454 178.600 176.117 0.048 0.000 1.093 70 I CA 1.660 62.926 61.300 -0.056 0.000 1.380 70 I CB -0.426 37.557 38.000 -0.029 0.000 1.067 70 I HN 0.409 nan 8.210 nan 0.000 0.413 71 T N -1.564 112.998 114.554 0.013 0.000 2.904 71 T HA 0.042 4.392 4.350 0.000 0.000 0.267 71 T C 1.740 176.468 174.700 0.047 0.000 1.059 71 T CA 0.763 62.885 62.100 0.036 0.000 1.137 71 T CB -0.399 68.485 68.868 0.027 0.000 0.879 71 T HN 0.545 nan 8.240 nan 0.000 0.467 72 G N 1.664 110.486 108.800 0.037 0.000 2.153 72 G HA2 -0.248 3.712 3.960 0.000 0.000 0.252 72 G HA3 -0.248 3.712 3.960 0.000 0.000 0.252 72 G C 0.049 174.968 174.900 0.032 0.000 0.994 72 G CA 0.132 45.259 45.100 0.045 0.000 0.698 72 G HN 0.752 nan 8.290 nan 0.000 0.521 73 R N -0.178 120.337 120.500 0.025 0.000 2.740 73 R HA 0.506 4.846 4.340 0.000 0.000 0.282 73 R C -2.814 173.498 176.300 0.020 0.000 0.969 73 R CA -2.206 53.911 56.100 0.029 0.000 0.918 73 R CB 1.770 32.093 30.300 0.039 0.000 1.175 73 R HN -0.001 nan 8.270 nan 0.000 0.464 74 P HA -0.011 nan 4.420 nan 0.000 0.268 74 P C -0.799 176.519 177.300 0.030 0.000 1.205 74 P CA 0.116 63.220 63.100 0.005 0.000 0.771 74 P CB 0.700 32.385 31.700 -0.026 0.000 0.858 75 Q N 0.912 120.732 119.800 0.034 0.000 2.552 75 Q HA 0.838 5.178 4.340 0.000 0.000 0.289 75 Q C -0.867 175.188 176.000 0.091 0.000 1.097 75 Q CA -0.947 54.900 55.803 0.075 0.000 0.812 75 Q CB 2.442 31.226 28.738 0.077 0.000 1.460 75 Q HN 0.438 nan 8.270 nan 0.000 0.452 76 A N 0.207 123.117 122.820 0.149 0.000 2.449 76 A HA 0.804 5.124 4.320 0.000 0.000 0.302 76 A C -0.568 177.146 177.584 0.217 0.000 1.048 76 A CA -0.529 51.606 52.037 0.163 0.000 0.708 76 A CB 0.818 19.915 19.000 0.161 0.000 1.274 76 A HN 0.845 nan 8.150 nan 0.000 0.410 77 C N -0.281 119.143 119.300 0.207 0.000 3.080 77 C HA 0.968 5.429 4.460 0.000 0.000 0.307 77 C C -1.096 174.081 174.990 0.312 0.000 1.311 77 C CA -0.918 58.233 59.018 0.222 0.000 1.533 77 C CB 1.376 29.198 27.740 0.137 0.000 1.970 77 C HN 1.082 nan 8.230 nan 0.000 0.467 78 W N 1.321 122.686 121.300 0.108 0.000 3.129 78 W HA 0.655 5.315 4.660 0.000 0.000 0.333 78 W C -1.017 175.611 176.519 0.181 0.000 1.141 78 W CA -0.035 57.422 57.345 0.186 0.000 1.224 78 W CB 2.246 31.879 29.460 0.289 0.000 1.393 78 W HN 1.308 nan 8.180 nan 0.000 0.499 79 A N 2.597 125.346 122.820 -0.119 0.000 2.566 79 A HA 0.636 4.956 4.320 0.000 0.000 0.292 79 A C -0.667 176.865 177.584 -0.087 0.000 1.112 79 A CA -0.427 51.633 52.037 0.038 0.000 0.707 79 A CB 1.832 20.852 19.000 0.033 0.000 1.302 79 A HN 0.460 nan 8.150 nan 0.000 0.409 80 T N -0.069 114.532 114.554 0.078 0.000 2.771 80 T HA 0.503 4.853 4.350 0.000 0.000 0.290 80 T C 0.661 175.362 174.700 0.003 0.000 1.005 80 T CA 0.039 62.182 62.100 0.072 0.000 0.944 80 T CB -0.132 68.806 68.868 0.116 0.000 1.147 80 T HN 1.069 nan 8.240 nan 0.000 0.534 81 L N -0.084 121.143 121.223 0.006 0.000 2.474 81 L HA 0.601 4.941 4.340 0.000 0.000 0.259 81 L C 1.377 178.233 176.870 -0.023 0.000 1.232 81 L CA -0.164 54.669 54.840 -0.012 0.000 0.821 81 L CB -0.902 41.148 42.059 -0.016 0.000 1.108 81 L HN 0.909 nan 8.230 nan 0.000 0.495 82 G N 1.252 110.033 108.800 -0.031 0.000 2.646 82 G HA2 -0.332 3.628 3.960 0.000 0.000 0.324 82 G HA3 -0.332 3.628 3.960 0.000 0.000 0.324 82 G C -1.001 173.876 174.900 -0.039 0.000 1.195 82 G CA 0.430 45.502 45.100 -0.046 0.000 0.976 82 G HN 0.804 nan 8.290 nan 0.000 0.546 83 P HA 0.122 nan 4.420 nan 0.000 0.223 83 P C 1.517 178.798 177.300 -0.033 0.000 1.151 83 P CA 1.769 64.849 63.100 -0.033 0.000 0.787 83 P CB -0.547 31.134 31.700 -0.031 0.000 0.788 87 N N 1.697 120.405 118.700 0.013 0.000 2.084 87 N HA 0.127 4.867 4.740 0.000 0.000 0.190 87 N C 1.677 177.261 175.510 0.124 0.000 1.030 87 N CA 1.440 54.529 53.050 0.064 0.000 0.849 87 N CB -0.562 37.858 38.487 -0.111 0.000 1.012 87 N HN 0.322 nan 8.380 nan 0.000 0.423 88 L N 1.118 122.379 121.223 0.064 0.000 2.191 88 L HA -0.113 4.227 4.340 0.000 0.000 0.212 88 L C 2.183 179.096 176.870 0.073 0.000 1.103 88 L CA 1.291 56.180 54.840 0.082 0.000 0.769 88 L CB -0.827 41.264 42.059 0.054 0.000 0.908 88 L HN 0.253 nan 8.230 nan 0.000 0.438 89 S N -2.661 113.052 115.700 0.023 0.000 2.419 89 S HA -0.199 4.271 4.470 0.000 0.000 0.233 89 S C 1.821 176.453 174.600 0.052 0.000 1.016 89 S CA 1.607 59.797 58.200 -0.017 0.000 0.974 89 S CB -0.957 62.200 63.200 -0.071 0.000 0.786 89 S HN 0.530 nan 8.310 nan 0.000 0.492 90 T N 1.422 116.057 114.554 0.134 0.000 2.867 90 T HA 0.099 4.450 4.350 0.000 0.000 0.268 90 T C 1.971 176.867 174.700 0.327 0.000 1.057 90 T CA 1.204 63.430 62.100 0.210 0.000 1.136 90 T CB -0.942 68.040 68.868 0.190 0.000 0.874 90 T HN 0.639 nan 8.240 nan 0.000 0.466 91 G N 1.361 110.343 108.800 0.303 0.000 2.408 91 G HA2 -0.084 3.877 3.960 0.000 0.000 0.217 91 G HA3 -0.084 3.877 3.960 0.000 0.000 0.217 91 G C 1.509 176.448 174.900 0.065 0.000 1.150 91 G CA 0.292 45.464 45.100 0.121 0.000 0.776 91 G HN 0.480 nan 8.290 nan 0.000 0.542 92 I N 1.434 122.037 120.570 0.056 0.000 2.226 92 I HA -0.193 3.977 4.170 0.000 0.000 0.245 92 I C 3.291 179.424 176.117 0.026 0.000 1.100 92 I CA 0.994 62.309 61.300 0.024 0.000 1.374 92 I CB -0.247 37.740 38.000 -0.021 0.000 1.057 92 I HN 0.240 nan 8.210 nan 0.000 0.413 93 A N 0.453 123.297 122.820 0.039 0.000 1.933 93 A HA -0.208 4.112 4.320 0.000 0.000 0.218 93 A C 2.381 179.993 177.584 0.046 0.000 1.175 93 A CA 2.450 54.508 52.037 0.034 0.000 0.628 93 A CB -1.078 17.944 19.000 0.038 0.000 0.814 93 A HN 0.396 nan 8.150 nan 0.000 0.444 94 T N -0.549 114.056 114.554 0.086 0.000 2.708 94 T HA -0.157 4.193 4.350 0.000 0.000 0.266 94 T C 2.294 177.015 174.700 0.036 0.000 1.037 94 T CA 1.837 63.987 62.100 0.084 0.000 1.146 94 T CB -0.388 68.569 68.868 0.148 0.000 0.865 94 T HN 0.570 nan 8.240 nan 0.000 0.435 95 S N 0.187 115.901 115.700 0.023 0.000 2.368 95 S HA -0.088 4.382 4.470 0.000 0.000 0.225 95 S C 2.167 176.769 174.600 0.003 0.000 1.030 95 S CA 1.179 59.382 58.200 0.004 0.000 0.999 95 S CB -0.557 62.645 63.200 0.002 0.000 0.844 95 S HN 0.269 nan 8.310 nan 0.000 0.459 96 V N 0.980 120.899 119.914 0.008 0.000 2.453 96 V HA 0.033 4.153 4.120 0.000 0.000 0.247 96 V C 2.157 178.249 176.094 -0.003 0.000 1.048 96 V CA 1.733 64.037 62.300 0.005 0.000 1.049 96 V CB -0.277 31.550 31.823 0.006 0.000 0.672 96 V HN 0.548 nan 8.190 nan 0.000 0.457 97 L N -0.660 120.558 121.223 -0.008 0.000 2.162 97 L HA 0.022 4.362 4.340 0.000 0.000 0.205 97 L C 1.984 178.832 176.870 -0.035 0.000 1.086 97 L CA 1.161 55.987 54.840 -0.023 0.000 0.778 97 L CB -0.357 41.685 42.059 -0.028 0.000 0.928 97 L HN 0.289 nan 8.230 nan 0.000 0.446 98 D N -0.061 120.321 120.400 -0.030 0.000 2.347 98 D HA 0.003 4.644 4.640 0.000 0.000 0.213 98 D C -0.165 176.117 176.300 -0.030 0.000 0.985 98 D CA 0.191 54.167 54.000 -0.039 0.000 0.879 98 D CB 0.242 41.020 40.800 -0.037 0.000 0.919 98 D HN -0.023 nan 8.370 nan 0.000 0.526 99 R N 0.316 120.803 120.500 -0.022 0.000 2.448 99 R HA -0.095 4.245 4.340 0.000 0.000 0.336 99 R C -0.712 175.573 176.300 -0.025 0.000 1.038 99 R CA 0.170 56.261 56.100 -0.016 0.000 0.804 99 R CB -3.128 27.166 30.300 -0.010 0.000 2.350 99 R HN 0.318 nan 8.270 nan 0.000 0.484 100 S N 0.181 115.866 115.700 -0.025 0.000 2.536 100 S HA 0.725 5.195 4.470 0.000 0.000 0.271 100 S C -2.814 171.772 174.600 -0.022 0.000 1.134 100 S CA -1.617 56.561 58.200 -0.037 0.000 0.897 100 S CB 3.613 66.775 63.200 -0.062 0.000 1.094 100 S HN 0.174 nan 8.310 nan 0.000 0.473 101 P HA 0.306 nan 4.420 nan 0.000 0.268 101 P C -0.840 176.453 177.300 -0.012 0.000 1.541 101 P CA -0.204 62.887 63.100 -0.016 0.000 1.093 101 P CB 0.358 32.047 31.700 -0.019 0.000 1.551 102 V N 5.572 125.487 119.914 0.001 0.000 2.555 102 V HA 0.327 4.447 4.120 0.000 0.000 0.302 102 V C 0.504 176.621 176.094 0.039 0.000 1.038 102 V CA -0.798 61.512 62.300 0.016 0.000 0.887 102 V CB 2.247 34.076 31.823 0.010 0.000 0.991 102 V HN 0.309 nan 8.190 nan 0.000 0.434 103 I N 4.183 124.783 120.570 0.049 0.000 2.291 103 I HA 0.494 4.664 4.170 0.000 0.000 0.290 103 I C 0.581 176.763 176.117 0.107 0.000 1.050 103 I CA -0.225 61.114 61.300 0.066 0.000 1.245 103 I CB 0.903 38.928 38.000 0.041 0.000 1.405 103 I HN 0.675 nan 8.210 nan 0.000 0.478 104 A N 8.331 131.236 122.820 0.140 0.000 2.274 104 A HA 0.789 5.109 4.320 0.000 0.000 0.309 104 A C -0.391 177.270 177.584 0.129 0.000 1.226 104 A CA -0.423 51.726 52.037 0.187 0.000 0.853 104 A CB 0.581 19.740 19.000 0.265 0.000 1.146 104 A HN 0.696 nan 8.150 nan 0.000 0.518 105 L N 2.155 123.391 121.223 0.022 0.000 2.356 105 L HA 0.761 5.101 4.340 0.000 0.000 0.277 105 L C 0.151 176.727 176.870 -0.490 0.000 0.996 105 L CA -0.358 54.318 54.840 -0.273 0.000 0.822 105 L CB 2.073 44.020 42.059 -0.188 0.000 1.256 105 L HN 0.775 nan 8.230 nan 0.000 0.413 106 A N 2.233 124.751 122.820 -0.503 0.000 2.422 106 A HA 0.896 5.216 4.320 0.000 0.000 0.302 106 A C -0.272 177.067 177.584 -0.408 0.000 1.041 106 A CA -0.443 51.347 52.037 -0.411 0.000 0.708 106 A CB 1.599 20.633 19.000 0.056 0.000 1.257 106 A HN 0.768 nan 8.150 nan 0.000 0.414 107 A N 0.851 123.464 122.820 -0.345 0.000 2.429 107 A HA 0.569 4.889 4.320 0.000 0.000 0.242 107 A C 0.190 177.728 177.584 -0.077 0.000 1.088 107 A CA 0.386 52.340 52.037 -0.139 0.000 0.784 107 A CB 0.379 19.388 19.000 0.015 0.000 1.038 107 A HN 1.190 nan 8.150 nan 0.000 0.501 108 Q N -0.386 119.383 119.800 -0.052 0.000 2.501 108 Q HA 0.514 4.854 4.340 0.000 0.000 0.288 108 Q C -0.524 175.449 176.000 -0.044 0.000 1.051 108 Q CA -0.308 55.468 55.803 -0.045 0.000 0.788 108 Q CB 1.635 30.337 28.738 -0.060 0.000 1.469 108 Q HN 0.750 nan 8.270 nan 0.000 0.416 109 S N 1.738 117.406 115.700 -0.053 0.000 2.559 109 S HA 0.034 4.504 4.470 0.000 0.000 0.282 109 S C -0.547 173.981 174.600 -0.119 0.000 1.336 109 S CA -0.037 58.120 58.200 -0.070 0.000 1.037 109 S CB 0.030 63.183 63.200 -0.078 0.000 0.853 109 S HN 0.555 nan 8.310 nan 0.000 0.523 110 E N 1.738 121.847 120.200 -0.153 0.000 2.653 110 E HA -0.050 4.300 4.350 0.000 0.000 0.264 110 E C 1.387 177.778 176.600 -0.347 0.000 0.949 110 E CA 0.601 56.854 56.400 -0.246 0.000 0.953 110 E CB 0.281 29.760 29.700 -0.368 0.000 0.925 110 E HN 0.647 nan 8.360 nan 0.000 0.475 111 S N 3.396 118.968 115.700 -0.214 0.000 2.374 111 S HA -0.309 4.161 4.470 0.000 0.000 0.227 111 S C 1.653 176.136 174.600 -0.195 0.000 1.037 111 S CA 1.784 59.894 58.200 -0.150 0.000 1.024 111 S CB -0.604 62.573 63.200 -0.038 0.000 0.861 111 S HN 0.780 nan 8.310 nan 0.000 0.456 112 H N -0.365 118.655 119.070 -0.085 0.000 2.555 112 H HA 0.227 4.783 4.556 0.000 0.000 0.269 112 H C 0.439 175.681 175.328 -0.143 0.000 0.988 112 H CA 1.095 57.089 56.048 -0.089 0.000 1.178 112 H CB -0.328 29.423 29.762 -0.018 0.000 1.373 112 H HN 0.463 nan 8.280 nan 0.000 0.588 113 D N 0.756 120.858 120.400 -0.497 0.000 2.501 113 D HA 0.207 4.847 4.640 0.000 0.000 0.224 113 D C -0.139 175.908 176.300 -0.421 0.000 1.202 113 D CA -0.314 53.502 54.000 -0.307 0.000 0.829 113 D CB -0.147 40.526 40.800 -0.212 0.000 1.023 113 D HN 0.289 nan 8.370 nan 0.000 0.499 114 I N 1.508 121.714 120.570 -0.607 0.000 2.329 114 I HA 0.149 4.319 4.170 0.000 0.000 0.295 114 I C -0.611 175.086 176.117 -0.700 0.000 1.109 114 I CA -0.033 60.989 61.300 -0.463 0.000 1.297 114 I CB 0.008 37.829 38.000 -0.298 0.000 1.433 114 I HN -0.111 nan 8.210 nan 0.000 0.509 115 F N 7.291 127.233 119.950 -0.014 0.000 2.676 115 F HA 0.391 4.918 4.527 0.000 0.000 0.371 115 F C -2.336 173.460 175.800 -0.006 0.000 1.141 115 F CA -2.772 55.225 58.000 -0.004 0.000 1.133 115 F CB 0.808 39.810 39.000 0.004 0.000 1.376 115 F HN 0.239 nan 8.300 nan 0.000 0.491 116 P HA 0.105 nan 4.420 nan 0.000 0.264 116 P C 0.066 177.407 177.300 0.069 0.000 1.193 116 P CA 0.563 63.699 63.100 0.060 0.000 0.763 116 P CB 0.435 32.152 31.700 0.029 0.000 0.810 117 N N 1.053 119.780 118.700 0.046 0.000 2.828 117 N HA -0.163 4.577 4.740 0.000 0.000 0.248 117 N C 0.147 175.686 175.510 0.049 0.000 1.044 117 N CA 1.261 54.332 53.050 0.036 0.000 0.851 117 N CB -1.499 37.003 38.487 0.026 0.000 1.136 117 N HN 0.527 nan 8.380 nan 0.000 0.572 118 D N -1.027 119.421 120.400 0.080 0.000 2.871 118 D HA 0.069 4.709 4.640 0.000 0.000 0.291 118 D C 0.122 176.484 176.300 0.105 0.000 1.150 118 D CA 0.580 54.626 54.000 0.076 0.000 0.999 118 D CB 0.050 40.885 40.800 0.059 0.000 1.452 118 D HN 0.020 nan 8.370 nan 0.000 0.465 119 T N 1.214 115.867 114.554 0.165 0.000 2.916 119 T HA 0.005 4.355 4.350 0.000 0.000 0.303 119 T C 0.179 174.956 174.700 0.130 0.000 1.025 119 T CA 0.071 62.275 62.100 0.172 0.000 1.142 119 T CB 0.442 69.427 68.868 0.196 0.000 0.947 119 T HN 0.096 nan 8.240 nan 0.000 0.544 120 H N 3.174 122.275 119.070 0.052 0.000 3.214 120 H HA -0.066 4.490 4.556 0.000 0.000 0.291 120 H C 1.104 176.450 175.328 0.030 0.000 0.926 120 H CA 1.227 57.296 56.048 0.035 0.000 1.409 120 H CB -0.100 29.681 29.762 0.031 0.000 1.406 120 H HN 0.795 nan 8.280 nan 0.000 0.561 121 Q N 1.277 120.833 119.800 -0.407 0.000 2.406 121 Q HA -0.276 4.064 4.340 0.000 0.000 0.236 121 Q C -0.382 175.543 176.000 -0.125 0.000 0.799 121 Q CA 1.049 56.661 55.803 -0.317 0.000 1.286 121 Q CB -1.805 26.690 28.738 -0.406 0.000 1.615 121 Q HN 0.619 nan 8.270 nan 0.000 0.621 122 C N 1.471 120.734 119.300 -0.062 0.000 2.246 122 C HA 0.633 5.093 4.460 0.000 0.000 0.329 122 C C 0.278 175.259 174.990 -0.015 0.000 1.221 122 C CA -0.472 58.531 59.018 -0.024 0.000 1.697 122 C CB -0.486 27.260 27.740 0.010 0.000 2.312 122 C HN 0.319 nan 8.230 nan 0.000 0.509 123 L N 4.391 125.602 121.223 -0.021 0.000 2.319 123 L HA 0.453 4.794 4.340 0.000 0.000 0.267 123 L C 0.079 176.943 176.870 -0.011 0.000 1.011 123 L CA -0.535 54.296 54.840 -0.016 0.000 0.818 123 L CB 1.138 43.181 42.059 -0.026 0.000 1.316 123 L HN 0.463 nan 8.230 nan 0.000 0.432 124 D N 0.302 120.696 120.400 -0.010 0.000 2.551 124 D HA 0.080 4.720 4.640 0.000 0.000 0.223 124 D C 0.875 177.170 176.300 -0.008 0.000 1.144 124 D CA 0.186 54.181 54.000 -0.008 0.000 1.025 124 D CB 0.666 41.461 40.800 -0.009 0.000 1.085 124 D HN 0.458 nan 8.370 nan 0.000 0.506 125 S N 0.913 116.625 115.700 0.019 0.000 2.359 125 S HA -0.150 4.321 4.470 0.000 0.000 0.224 125 S C 2.172 176.786 174.600 0.023 0.000 1.035 125 S CA 0.762 58.981 58.200 0.031 0.000 1.018 125 S CB 0.010 63.334 63.200 0.208 0.000 0.876 125 S HN 0.426 nan 8.310 nan 0.000 0.448 126 V N 2.052 122.044 119.914 0.129 0.000 2.343 126 V HA -0.210 3.910 4.120 0.000 0.000 0.247 126 V C 2.678 178.772 176.094 0.000 0.000 1.051 126 V CA 1.709 64.079 62.300 0.117 0.000 1.036 126 V CB -1.255 30.614 31.823 0.076 0.000 0.654 126 V HN 0.557 nan 8.190 nan 0.000 0.451 127 A N -0.253 122.558 122.820 -0.016 0.000 1.933 127 A HA -0.175 4.145 4.320 0.000 0.000 0.218 127 A C 2.166 179.716 177.584 -0.056 0.000 1.175 127 A CA 1.932 53.949 52.037 -0.032 0.000 0.628 127 A CB -0.529 18.456 19.000 -0.024 0.000 0.814 127 A HN 0.528 nan 8.150 nan 0.000 0.444 128 I N -0.785 119.737 120.570 -0.080 0.000 2.286 128 I HA -0.159 4.011 4.170 0.000 0.000 0.245 128 I C 2.082 178.106 176.117 -0.155 0.000 1.104 128 I CA 0.977 62.212 61.300 -0.108 0.000 1.397 128 I CB -0.042 37.888 38.000 -0.116 0.000 1.072 128 I HN 0.149 nan 8.210 nan 0.000 0.417 129 V N 0.425 120.198 119.914 -0.236 0.000 2.992 129 V HA 0.011 4.131 4.120 0.000 0.000 0.250 129 V C 2.575 178.578 176.094 -0.152 0.000 1.090 129 V CA 1.135 63.251 62.300 -0.308 0.000 1.101 129 V CB -0.425 30.938 31.823 -0.767 0.000 0.743 129 V HN 0.398 nan 8.190 nan 0.000 0.468 130 A N 0.767 123.534 122.820 -0.089 0.000 1.927 130 A HA -0.109 4.211 4.320 0.000 0.000 0.220 130 A C -0.354 177.210 177.584 -0.033 0.000 1.185 130 A CA 1.502 53.516 52.037 -0.040 0.000 0.639 130 A CB -1.746 17.234 19.000 -0.034 0.000 0.820 130 A HN 0.534 nan 8.150 nan 0.000 0.451 134 K N -0.253 120.203 120.400 0.094 0.000 2.365 134 K HA 0.244 4.564 4.320 0.000 0.000 0.197 134 K C -0.291 176.426 176.600 0.196 0.000 1.042 134 K CA 0.979 57.333 56.287 0.110 0.000 0.987 134 K CB -0.426 32.127 32.500 0.088 0.000 0.779 134 K HN 0.712 nan 8.250 nan 0.000 0.484 135 Y N -0.962 119.360 120.300 0.037 0.000 2.457 135 Y HA 0.395 4.945 4.550 0.000 0.000 0.322 135 Y C -2.143 173.808 175.900 0.084 0.000 1.218 135 Y CA -1.074 57.050 58.100 0.041 0.000 1.116 135 Y CB 1.151 39.624 38.460 0.022 0.000 1.335 135 Y HN -0.059 nan 8.280 nan 0.000 0.452 136 A N 4.897 127.515 122.820 -0.336 0.000 2.465 136 A HA 0.788 5.108 4.320 0.000 0.000 0.292 136 A C -2.223 175.158 177.584 -0.338 0.000 1.041 136 A CA -0.364 51.595 52.037 -0.130 0.000 0.718 136 A CB 1.493 20.553 19.000 0.101 0.000 1.266 136 A HN 1.277 nan 8.150 nan 0.000 0.403 137 V N 1.508 121.248 119.914 -0.290 0.000 3.087 137 V HA 0.658 4.778 4.120 0.000 0.000 0.306 137 V C -1.062 174.914 176.094 -0.198 0.000 1.187 137 V CA -0.492 61.647 62.300 -0.268 0.000 0.999 137 V CB 2.052 33.675 31.823 -0.334 0.000 1.049 137 V HN 1.021 nan 8.190 nan 0.000 0.431 138 E N 3.663 123.779 120.200 -0.141 0.000 2.166 138 E HA 0.441 4.792 4.350 0.000 0.000 0.275 138 E C -1.087 175.448 176.600 -0.108 0.000 0.941 138 E CA -0.860 55.461 56.400 -0.131 0.000 0.784 138 E CB 1.793 31.439 29.700 -0.089 0.000 1.115 138 E HN 0.672 nan 8.360 nan 0.000 0.399 139 L N 4.288 125.444 121.223 -0.111 0.000 2.499 139 L HA -0.025 4.315 4.340 0.000 0.000 0.273 139 L C 0.408 177.239 176.870 -0.065 0.000 1.195 139 L CA 1.210 56.002 54.840 -0.080 0.000 0.882 139 L CB 0.574 42.590 42.059 -0.072 0.000 1.133 139 L HN 0.764 nan 8.230 nan 0.000 0.483 140 Q N 3.493 123.259 119.800 -0.057 0.000 2.404 140 Q HA 0.305 4.645 4.340 0.000 0.000 0.262 140 Q C -0.181 175.803 176.000 -0.027 0.000 0.846 140 Q CA 0.062 55.840 55.803 -0.041 0.000 0.978 140 Q CB 0.852 29.567 28.738 -0.038 0.000 1.156 140 Q HN 0.578 nan 8.270 nan 0.000 0.548 141 R N 0.643 121.115 120.500 -0.047 0.000 2.435 141 R HA 0.241 4.581 4.340 0.000 0.000 0.308 141 R C -2.250 174.011 176.300 -0.064 0.000 0.975 141 R CA -1.791 54.291 56.100 -0.030 0.000 0.867 141 R CB 1.507 31.789 30.300 -0.031 0.000 1.171 141 R HN -0.108 nan 8.270 nan 0.000 0.470 142 P HA -0.293 nan 4.420 nan 0.000 0.217 142 P C 0.985 178.299 177.300 0.023 0.000 1.158 142 P CA 1.463 64.578 63.100 0.026 0.000 0.887 142 P CB 0.021 31.760 31.700 0.065 0.000 0.792 143 H N -0.361 118.722 119.070 0.021 0.000 2.491 143 H HA 0.005 4.561 4.556 0.000 0.000 0.290 143 H C 1.195 176.539 175.328 0.027 0.000 1.050 143 H CA 1.086 57.149 56.048 0.025 0.000 1.309 143 H CB -0.729 29.045 29.762 0.021 0.000 1.392 143 H HN 0.239 nan 8.280 nan 0.000 0.554 144 E N 0.319 120.196 120.200 -0.538 0.000 2.478 144 E HA -0.048 4.302 4.350 0.000 0.000 0.198 144 E C 1.863 178.391 176.600 -0.120 0.000 1.046 144 E CA 0.246 56.432 56.400 -0.357 0.000 0.870 144 E CB -0.028 29.461 29.700 -0.351 0.000 0.818 144 E HN 0.297 nan 8.360 nan 0.000 0.527 145 I N 1.229 121.759 120.570 -0.068 0.000 2.315 145 I HA -0.293 3.877 4.170 0.000 0.000 0.251 145 I C 1.957 178.082 176.117 0.013 0.000 1.125 145 I CA 1.626 62.918 61.300 -0.013 0.000 1.392 145 I CB -0.329 37.677 38.000 0.011 0.000 1.065 145 I HN 0.000 nan 8.210 nan 0.000 0.424 146 T N 0.547 115.115 114.554 0.022 0.000 2.708 146 T HA -0.195 4.155 4.350 0.000 0.000 0.266 146 T C 1.437 176.161 174.700 0.041 0.000 1.037 146 T CA 1.755 63.881 62.100 0.044 0.000 1.146 146 T CB -0.559 68.341 68.868 0.054 0.000 0.865 146 T HN 0.692 nan 8.240 nan 0.000 0.435 147 D N 1.189 121.603 120.400 0.022 0.000 2.224 147 D HA -0.039 4.601 4.640 0.000 0.000 0.205 147 D C 1.986 178.294 176.300 0.013 0.000 0.965 147 D CA 0.682 54.694 54.000 0.020 0.000 0.852 147 D CB -0.676 40.135 40.800 0.017 0.000 0.947 147 D HN 0.334 nan 8.370 nan 0.000 0.494 148 L N 0.225 121.459 121.223 0.020 0.000 2.056 148 L HA -0.090 4.250 4.340 0.000 0.000 0.207 148 L C 2.543 179.412 176.870 -0.001 0.000 1.078 148 L CA 0.596 55.469 54.840 0.055 0.000 0.749 148 L CB -0.382 41.715 42.059 0.064 0.000 0.901 148 L HN 0.059 nan 8.230 nan 0.000 0.433 149 V N -0.023 119.889 119.914 -0.002 0.000 2.343 149 V HA -0.297 3.823 4.120 0.000 0.000 0.247 149 V C 2.141 178.168 176.094 -0.112 0.000 1.051 149 V CA 1.932 64.213 62.300 -0.032 0.000 1.036 149 V CB -0.535 31.312 31.823 0.040 0.000 0.654 149 V HN 0.428 nan 8.190 nan 0.000 0.451 150 D N 0.008 120.392 120.400 -0.027 0.000 2.117 150 D HA -0.126 4.514 4.640 0.000 0.000 0.197 150 D C 2.450 178.652 176.300 -0.164 0.000 0.987 150 D CA 1.733 55.721 54.000 -0.021 0.000 0.829 150 D CB -0.293 40.550 40.800 0.071 0.000 0.961 150 D HN 0.371 nan 8.370 nan 0.000 0.460 151 S N 0.228 115.794 115.700 -0.223 0.000 2.383 151 S HA -0.076 4.394 4.470 0.000 0.000 0.227 151 S C 2.061 176.174 174.600 -0.811 0.000 1.026 151 S CA 0.920 58.871 58.200 -0.416 0.000 0.981 151 S CB -0.131 62.871 63.200 -0.330 0.000 0.818 151 S HN 0.358 nan 8.310 nan 0.000 0.472 152 A N 1.211 123.548 122.820 -0.806 0.000 1.877 152 A HA -0.062 4.258 4.320 0.000 0.000 0.216 152 A C 2.327 179.700 177.584 -0.352 0.000 1.186 152 A CA 1.592 53.251 52.037 -0.630 0.000 0.620 152 A CB -0.958 17.908 19.000 -0.223 0.000 0.822 152 A HN 0.340 nan 8.150 nan 0.000 0.443 153 V N 0.913 120.630 119.914 -0.329 0.000 2.295 153 V HA -0.274 3.846 4.120 0.000 0.000 0.246 153 V C 2.358 178.327 176.094 -0.208 0.000 1.049 153 V CA 2.165 64.286 62.300 -0.299 0.000 1.024 153 V CB -1.084 30.411 31.823 -0.546 0.000 0.648 153 V HN 0.542 nan 8.190 nan 0.000 0.447 154 N N 0.702 119.278 118.700 -0.206 0.000 2.061 154 N HA -0.184 4.556 4.740 0.000 0.000 0.193 154 N C 1.840 177.282 175.510 -0.113 0.000 1.030 154 N CA 1.981 54.951 53.050 -0.133 0.000 0.856 154 N CB -0.598 37.813 38.487 -0.126 0.000 1.023 154 N HN 0.511 nan 8.380 nan 0.000 0.424 155 A N 0.688 123.413 122.820 -0.160 0.000 1.929 155 A HA 0.291 4.612 4.320 0.000 0.000 0.216 155 A C 1.405 178.964 177.584 -0.041 0.000 1.176 155 A CA 1.020 53.011 52.037 -0.077 0.000 0.628 155 A CB -0.756 18.214 19.000 -0.049 0.000 0.816 155 A HN 0.384 nan 8.150 nan 0.000 0.444 159 E N 2.848 123.044 120.200 -0.006 0.000 2.414 159 E HA 0.223 4.573 4.350 0.000 0.000 0.263 159 E C -2.296 174.304 176.600 -0.001 0.000 1.000 159 E CA -1.569 54.829 56.400 -0.004 0.000 0.914 159 E CB 0.354 30.048 29.700 -0.011 0.000 0.948 159 E HN 0.265 nan 8.360 nan 0.000 0.444 160 P HA 0.007 nan 4.420 nan 0.000 0.276 160 P C -0.179 177.124 177.300 0.004 0.000 1.243 160 P CA -0.364 62.738 63.100 0.003 0.000 0.768 160 P CB 0.488 32.191 31.700 0.005 0.000 0.856 161 V N 1.661 121.576 119.914 0.002 0.000 2.901 161 V HA 0.641 4.761 4.120 0.000 0.000 0.307 161 V C 0.589 176.684 176.094 0.002 0.000 1.084 161 V CA 0.515 62.815 62.300 0.000 0.000 1.184 161 V CB -0.062 31.761 31.823 -0.001 0.000 0.941 161 V HN 0.816 nan 8.190 nan 0.000 0.493 162 G N 3.408 112.211 108.800 0.005 0.000 2.554 162 G HA2 0.658 4.618 3.960 0.000 0.000 0.306 162 G HA3 0.658 4.618 3.960 0.000 0.000 0.306 162 G C -3.476 171.437 174.900 0.021 0.000 1.320 162 G CA -0.681 44.426 45.100 0.012 0.000 0.800 162 G HN 0.728 nan 8.290 nan 0.000 0.481 163 P HA 0.477 nan 4.420 nan 0.000 0.286 163 P C -0.711 176.650 177.300 0.102 0.000 1.261 163 P CA -0.227 62.908 63.100 0.059 0.000 0.821 163 P CB 1.841 33.576 31.700 0.058 0.000 1.013 164 S N 1.889 117.666 115.700 0.127 0.000 2.503 164 S HA 0.600 5.070 4.470 0.000 0.000 0.301 164 S C -0.939 173.826 174.600 0.275 0.000 1.087 164 S CA -0.336 57.997 58.200 0.222 0.000 1.042 164 S CB 0.629 63.923 63.200 0.156 0.000 1.043 164 S HN 0.427 nan 8.310 nan 0.000 0.489 165 F N 3.202 123.233 119.950 0.135 0.000 2.482 165 F HA 0.705 5.232 4.527 0.000 0.000 0.331 165 F C -1.248 174.579 175.800 0.045 0.000 1.115 165 F CA -1.097 56.931 58.000 0.048 0.000 0.955 165 F CB 0.620 39.616 39.000 -0.007 0.000 1.136 165 F HN 0.436 nan 8.300 nan 0.000 0.452 166 I N 4.804 124.909 120.570 -0.774 0.000 2.447 166 I HA 0.253 4.423 4.170 0.000 0.000 0.287 166 I C -0.439 175.042 176.117 -1.058 0.000 1.023 166 I CA -0.752 60.127 61.300 -0.701 0.000 1.083 166 I CB 1.871 39.712 38.000 -0.264 0.000 1.245 166 I HN 0.531 nan 8.210 nan 0.000 0.434 167 S N 7.115 122.291 115.700 -0.873 0.000 2.513 167 S HA 0.630 5.100 4.470 0.000 0.000 0.276 167 S C -0.541 173.883 174.600 -0.295 0.000 1.254 167 S CA -0.429 57.453 58.200 -0.530 0.000 1.053 167 S CB 0.332 63.397 63.200 -0.224 0.000 0.958 167 S HN 0.478 nan 8.310 nan 0.000 0.491 168 L N 6.880 127.960 121.223 -0.239 0.000 2.384 168 L HA 0.397 4.737 4.340 0.000 0.000 0.261 168 L C -2.435 174.387 176.870 -0.079 0.000 1.024 168 L CA -2.065 52.689 54.840 -0.143 0.000 0.899 168 L CB 1.479 43.459 42.059 -0.132 0.000 1.243 168 L HN 0.441 nan 8.230 nan 0.000 0.449 169 P HA -0.033 nan 4.420 nan 0.000 0.262 169 P C 1.207 178.495 177.300 -0.019 0.000 1.182 169 P CA 0.074 63.142 63.100 -0.053 0.000 0.761 169 P CB 1.069 32.731 31.700 -0.063 0.000 0.795 170 V N 3.466 123.376 119.914 -0.007 0.000 2.392 170 V HA -0.268 3.852 4.120 0.000 0.000 0.249 170 V C 2.017 178.128 176.094 0.027 0.000 1.059 170 V CA 2.496 64.812 62.300 0.026 0.000 1.051 170 V CB -1.039 30.803 31.823 0.032 0.000 0.658 170 V HN 0.678 nan 8.190 nan 0.000 0.455 171 D N 0.191 120.604 120.400 0.021 0.000 2.117 171 D HA -0.193 4.447 4.640 0.000 0.000 0.198 171 D C 2.009 178.331 176.300 0.037 0.000 0.982 171 D CA 1.443 55.469 54.000 0.043 0.000 0.828 171 D CB -0.513 40.336 40.800 0.081 0.000 0.967 171 D HN 0.445 nan 8.370 nan 0.000 0.464 172 L N -0.456 120.782 121.223 0.024 0.000 2.109 172 L HA -0.051 4.289 4.340 0.000 0.000 0.207 172 L C 2.652 179.537 176.870 0.025 0.000 1.086 172 L CA 0.284 55.137 54.840 0.021 0.000 0.760 172 L CB -0.416 41.646 42.059 0.005 0.000 0.910 172 L HN 0.041 nan 8.230 nan 0.000 0.437 173 L N 0.538 121.778 121.223 0.028 0.000 2.079 173 L HA -0.082 4.258 4.340 0.000 0.000 0.210 173 L C 2.007 178.895 176.870 0.029 0.000 1.081 173 L CA 1.889 56.755 54.840 0.043 0.000 0.752 173 L CB -0.809 41.296 42.059 0.077 0.000 0.896 173 L HN 0.134 nan 8.230 nan 0.000 0.433 174 G N -1.587 107.227 108.800 0.023 0.000 3.314 174 G HA2 0.087 4.047 3.960 0.000 0.000 0.238 174 G HA3 0.087 4.047 3.960 0.000 0.000 0.238 174 G C 0.343 175.253 174.900 0.016 0.000 1.184 174 G CA 0.458 45.565 45.100 0.012 0.000 0.806 174 G HN 0.344 nan 8.290 nan 0.000 0.536 175 S N -0.139 115.576 115.700 0.024 0.000 2.525 175 S HA 0.445 4.915 4.470 0.000 0.000 0.290 175 S C 1.338 175.956 174.600 0.029 0.000 1.152 175 S CA 0.117 58.333 58.200 0.027 0.000 1.072 175 S CB 1.493 64.713 63.200 0.034 0.000 1.027 175 S HN 0.285 nan 8.310 nan 0.000 0.500 176 S N 2.367 118.081 115.700 0.023 0.000 2.540 176 S HA 0.208 4.678 4.470 0.000 0.000 0.218 176 S C 0.354 174.972 174.600 0.029 0.000 0.977 176 S CA -0.398 57.815 58.200 0.023 0.000 0.918 176 S CB -0.315 62.888 63.200 0.004 0.000 0.806 176 S HN 0.840 nan 8.310 nan 0.000 0.496 177 E N 1.510 121.731 120.200 0.035 0.000 2.606 177 E HA 0.293 4.643 4.350 0.000 0.000 0.248 177 E C 1.175 177.811 176.600 0.059 0.000 1.005 177 E CA 0.868 57.290 56.400 0.038 0.000 0.946 177 E CB -0.546 29.179 29.700 0.042 0.000 0.928 177 E HN 0.597 nan 8.360 nan 0.000 0.494 178 G N 4.224 113.034 108.800 0.017 0.000 2.179 178 G HA2 -0.286 3.674 3.960 0.000 0.000 0.260 178 G HA3 -0.286 3.674 3.960 0.000 0.000 0.260 178 G C 0.208 175.095 174.900 -0.021 0.000 0.977 178 G CA 0.210 45.286 45.100 -0.040 0.000 0.641 178 G HN 0.570 nan 8.290 nan 0.000 0.533 179 I N 1.423 122.012 120.570 0.033 0.000 2.331 179 I HA 0.531 4.702 4.170 0.000 0.000 0.292 179 I C 0.114 176.239 176.117 0.013 0.000 0.998 179 I CA -0.598 60.731 61.300 0.048 0.000 1.267 179 I CB 1.431 39.473 38.000 0.070 0.000 1.386 179 I HN 0.192 nan 8.210 nan 0.000 0.476 186 P HA 0.386 nan 4.420 nan 0.000 0.271 186 P C -2.613 174.673 177.300 -0.023 0.000 1.233 186 P CA -0.621 62.477 63.100 -0.003 0.000 0.789 186 P CB -0.696 31.009 31.700 0.007 0.000 0.951 187 P HA 0.093 nan 4.420 nan 0.000 0.268 187 P C 0.444 177.701 177.300 -0.072 0.000 1.205 187 P CA -0.038 63.035 63.100 -0.046 0.000 0.771 187 P CB 0.367 32.051 31.700 -0.027 0.000 0.858 188 A N 3.195 125.926 122.820 -0.148 0.000 1.897 188 A HA -0.123 4.197 4.320 0.000 0.000 0.215 188 A C 0.687 178.214 177.584 -0.096 0.000 1.181 188 A CA 0.898 52.765 52.037 -0.284 0.000 0.620 188 A CB -1.090 17.507 19.000 -0.672 0.000 0.821 188 A HN 0.648 nan 8.150 nan 0.000 0.443 189 N N 0.274 118.941 118.700 -0.055 0.000 2.725 189 N HA -0.113 4.627 4.740 0.000 0.000 0.251 189 N C -0.559 174.990 175.510 0.065 0.000 1.031 189 N CA 1.291 54.346 53.050 0.009 0.000 0.720 189 N CB -2.194 36.303 38.487 0.017 0.000 0.930 189 N HN 0.513 nan 8.380 nan 0.000 0.543 190 T N 1.536 116.147 114.554 0.094 0.000 2.867 190 T HA 0.199 4.549 4.350 0.000 0.000 0.297 190 T C -1.712 173.036 174.700 0.079 0.000 0.989 190 T CA -0.559 61.640 62.100 0.164 0.000 1.159 190 T CB 0.497 69.493 68.868 0.212 0.000 0.928 190 T HN 0.077 nan 8.240 nan 0.000 0.538 191 P HA 0.236 nan 4.420 nan 0.000 0.264 191 P C 0.426 177.747 177.300 0.035 0.000 1.193 191 P CA -0.269 62.851 63.100 0.035 0.000 0.763 191 P CB 0.472 32.184 31.700 0.020 0.000 0.810 192 A N 3.925 126.763 122.820 0.030 0.000 2.014 192 A HA -0.044 4.276 4.320 0.000 0.000 0.218 192 A C 0.877 178.479 177.584 0.029 0.000 1.163 192 A CA 1.295 53.350 52.037 0.030 0.000 0.652 192 A CB -0.479 18.537 19.000 0.027 0.000 0.808 192 A HN 0.659 nan 8.150 nan 0.000 0.449 193 K N -1.167 119.247 120.400 0.024 0.000 2.509 193 K HA 0.608 4.928 4.320 0.000 0.000 0.266 193 K C -3.392 173.217 176.600 0.015 0.000 0.987 193 K CA -2.075 54.225 56.287 0.023 0.000 0.868 193 K CB 0.963 33.477 32.500 0.022 0.000 1.421 193 K HN -0.207 nan 8.250 nan 0.000 0.444 194 P HA 0.003 nan 4.420 nan 0.000 0.266 194 P C -0.671 176.627 177.300 -0.003 0.000 1.195 194 P CA -0.482 62.620 63.100 0.004 0.000 0.768 194 P CB 0.550 32.253 31.700 0.005 0.000 0.838 195 V N 2.614 122.524 119.914 -0.006 0.000 2.715 195 V HA 0.482 4.602 4.120 0.000 0.000 0.299 195 V C 1.108 177.192 176.094 -0.017 0.000 1.054 195 V CA 0.784 63.078 62.300 -0.010 0.000 1.077 195 V CB 0.594 32.412 31.823 -0.008 0.000 0.972 195 V HN 0.854 nan 8.190 nan 0.000 0.484 196 G N 2.209 110.993 108.800 -0.026 0.000 2.798 196 G HA2 0.704 4.664 3.960 0.000 0.000 0.286 196 G HA3 0.704 4.664 3.960 0.000 0.000 0.286 196 G C -0.876 174.000 174.900 -0.039 0.000 1.389 196 G CA -0.280 44.798 45.100 -0.036 0.000 0.894 196 G HN 0.945 nan 8.290 nan 0.000 0.488 197 V N -2.206 117.681 119.914 -0.045 0.000 2.716 197 V HA 0.865 4.985 4.120 0.000 0.000 0.304 197 V C -0.443 175.607 176.094 -0.074 0.000 1.053 197 V CA -0.913 61.363 62.300 -0.041 0.000 0.984 197 V CB 1.461 33.270 31.823 -0.024 0.000 1.021 197 V HN 0.599 nan 8.190 nan 0.000 0.467 198 V N 2.614 122.498 119.914 -0.051 0.000 2.569 198 V HA 0.771 4.891 4.120 0.000 0.000 0.301 198 V C 0.382 176.499 176.094 0.038 0.000 1.044 198 V CA -0.117 62.142 62.300 -0.068 0.000 0.874 198 V CB 1.431 33.214 31.823 -0.067 0.000 1.002 198 V HN 1.412 nan 8.190 nan 0.000 0.424 199 A N 2.774 125.641 122.820 0.078 0.000 2.327 199 A HA 0.562 4.883 4.320 0.000 0.000 0.283 199 A C -0.044 177.664 177.584 0.207 0.000 1.127 199 A CA -0.298 51.809 52.037 0.117 0.000 0.810 199 A CB 0.390 19.444 19.000 0.089 0.000 1.066 199 A HN 0.957 nan 8.150 nan 0.000 0.492 200 D N 1.341 121.817 120.400 0.127 0.000 2.487 200 D HA 0.361 5.001 4.640 0.000 0.000 0.243 200 D C 1.295 177.636 176.300 0.069 0.000 1.154 200 D CA 1.965 56.023 54.000 0.096 0.000 0.876 200 D CB 0.185 41.015 40.800 0.050 0.000 1.161 200 D HN 1.263 nan 8.370 nan 0.000 0.478 201 G N 3.871 112.674 108.800 0.005 0.000 2.136 201 G HA2 -0.261 3.699 3.960 0.000 0.000 0.242 201 G HA3 -0.261 3.699 3.960 0.000 0.000 0.242 201 G C 0.993 175.864 174.900 -0.048 0.000 0.989 201 G CA 0.396 45.458 45.100 -0.063 0.000 0.682 201 G HN 0.701 nan 8.290 nan 0.000 0.522 202 W N -0.005 121.271 121.300 -0.039 0.000 2.374 202 W HA -0.070 4.590 4.660 0.000 0.000 0.288 202 W C 1.441 177.915 176.519 -0.076 0.000 1.218 202 W CA 1.372 58.691 57.345 -0.045 0.000 1.245 202 W CB -0.689 28.748 29.460 -0.038 0.000 1.126 202 W HN 0.393 nan 8.180 nan 0.000 0.545 203 Q N 1.556 120.731 119.800 -1.042 0.000 2.050 203 Q HA -0.195 4.145 4.340 0.000 0.000 0.202 203 Q C 2.313 178.068 176.000 -0.408 0.000 0.980 203 Q CA 2.666 57.768 55.803 -1.169 0.000 0.840 203 Q CB -0.621 27.406 28.738 -1.185 0.000 0.898 203 Q HN 0.354 nan 8.270 nan 0.000 0.424 204 K N 0.182 120.444 120.400 -0.231 0.000 2.097 204 K HA -0.137 4.183 4.320 0.000 0.000 0.206 204 K C 1.970 178.581 176.600 0.018 0.000 1.049 204 K CA 1.210 57.460 56.287 -0.063 0.000 0.933 204 K CB -0.206 32.262 32.500 -0.053 0.000 0.717 204 K HN 0.213 nan 8.250 nan 0.000 0.442 205 A N 1.043 123.884 122.820 0.035 0.000 1.902 205 A HA -0.102 4.218 4.320 0.000 0.000 0.217 205 A C 2.353 180.047 177.584 0.184 0.000 1.181 205 A CA 1.864 53.959 52.037 0.097 0.000 0.623 205 A CB -0.899 18.161 19.000 0.100 0.000 0.818 205 A HN 0.489 nan 8.150 nan 0.000 0.443 206 A N -0.078 122.901 122.820 0.264 0.000 1.972 206 A HA -0.172 4.148 4.320 0.000 0.000 0.219 206 A C 1.711 179.582 177.584 0.478 0.000 1.169 206 A CA 1.877 54.217 52.037 0.506 0.000 0.635 206 A CB -0.530 18.842 19.000 0.620 0.000 0.810 206 A HN 0.474 nan 8.150 nan 0.000 0.446 207 D N -0.341 120.240 120.400 0.302 0.000 2.144 207 D HA -0.131 4.509 4.640 0.000 0.000 0.200 207 D C 2.166 178.589 176.300 0.205 0.000 0.978 207 D CA 1.323 55.462 54.000 0.232 0.000 0.833 207 D CB -0.425 40.466 40.800 0.152 0.000 0.961 207 D HN 0.621 nan 8.370 nan 0.000 0.470 208 Q N 0.367 120.273 119.800 0.177 0.000 2.084 208 Q HA -0.079 4.261 4.340 0.000 0.000 0.202 208 Q C 2.215 178.334 176.000 0.199 0.000 0.978 208 Q CA 1.396 57.288 55.803 0.149 0.000 0.844 208 Q CB -0.121 28.678 28.738 0.101 0.000 0.898 208 Q HN 0.222 nan 8.270 nan 0.000 0.426 209 A N 1.103 124.088 122.820 0.275 0.000 1.933 209 A HA -0.133 4.187 4.320 0.000 0.000 0.218 209 A C 2.292 180.183 177.584 0.511 0.000 1.175 209 A CA 1.590 53.836 52.037 0.350 0.000 0.628 209 A CB -0.738 18.480 19.000 0.364 0.000 0.814 209 A HN 0.403 nan 8.150 nan 0.000 0.444 210 A N -0.150 122.997 122.820 0.544 0.000 1.902 210 A HA 0.181 4.501 4.320 0.000 0.000 0.217 210 A C 2.497 180.292 177.584 0.352 0.000 1.181 210 A CA 1.993 54.214 52.037 0.306 0.000 0.623 210 A CB -0.984 18.002 19.000 -0.023 0.000 0.818 210 A HN 1.048 nan 8.150 nan 0.000 0.443 211 A N -0.180 122.794 122.820 0.258 0.000 1.933 211 A HA -0.047 4.273 4.320 0.000 0.000 0.218 211 A C 2.159 179.825 177.584 0.138 0.000 1.175 211 A CA 1.474 53.616 52.037 0.176 0.000 0.628 211 A CB -0.592 18.480 19.000 0.119 0.000 0.814 211 A HN 0.479 nan 8.150 nan 0.000 0.444 212 L N -1.159 120.162 121.223 0.163 0.000 2.046 212 L HA -0.174 4.166 4.340 0.000 0.000 0.208 212 L C 2.569 179.526 176.870 0.144 0.000 1.077 212 L CA 1.234 56.152 54.840 0.130 0.000 0.747 212 L CB -0.569 41.567 42.059 0.128 0.000 0.896 212 L HN 0.471 nan 8.230 nan 0.000 0.432 213 L N 0.364 121.736 121.223 0.247 0.000 2.046 213 L HA -0.149 4.192 4.340 0.000 0.000 0.208 213 L C 2.656 179.615 176.870 0.148 0.000 1.077 213 L CA 1.968 56.971 54.840 0.272 0.000 0.747 213 L CB -0.725 41.602 42.059 0.447 0.000 0.896 213 L HN 0.145 nan 8.230 nan 0.000 0.432 214 A N -0.747 122.107 122.820 0.058 0.000 1.908 214 A HA -0.249 4.071 4.320 0.000 0.000 0.218 214 A C 2.168 179.632 177.584 -0.200 0.000 1.181 214 A CA 2.067 53.886 52.037 -0.364 0.000 0.627 214 A CB -0.611 18.076 19.000 -0.522 0.000 0.818 214 A HN 0.654 nan 8.150 nan 0.000 0.445 215 E N -0.296 119.856 120.200 -0.081 0.000 2.299 215 E HA 0.229 4.579 4.350 0.000 0.000 0.193 215 E C 0.874 177.448 176.600 -0.043 0.000 0.998 215 E CA 0.141 56.505 56.400 -0.059 0.000 0.851 215 E CB -0.122 29.563 29.700 -0.024 0.000 0.795 215 E HN 0.591 nan 8.360 nan 0.000 0.492 216 A N 1.434 124.244 122.820 -0.017 0.000 2.440 216 A HA 0.064 4.385 4.320 0.000 0.000 0.251 216 A C 0.723 178.269 177.584 -0.064 0.000 1.089 216 A CA -0.016 52.014 52.037 -0.011 0.000 0.779 216 A CB 0.529 19.551 19.000 0.037 0.000 1.022 216 A HN 0.030 nan 8.150 nan 0.000 0.492 217 K N 0.313 120.643 120.400 -0.116 0.000 2.202 217 K HA 0.050 4.370 4.320 0.000 0.000 0.201 217 K C -0.251 176.069 176.600 -0.466 0.000 1.051 217 K CA 0.763 56.867 56.287 -0.304 0.000 0.977 217 K CB 0.144 32.425 32.500 -0.366 0.000 0.792 217 K HN 0.786 nan 8.250 nan 0.000 0.469 218 H N 0.727 119.815 119.070 0.031 0.000 2.380 218 H HA 0.244 4.800 4.556 0.000 0.000 0.231 218 H C -2.622 172.716 175.328 0.017 0.000 1.415 218 H CA -2.226 53.844 56.048 0.036 0.000 1.433 218 H CB 0.696 30.456 29.762 -0.002 0.000 1.544 218 H HN 0.117 nan 8.280 nan 0.000 0.503 219 P HA 0.133 nan 4.420 nan 0.000 0.276 219 P C 0.099 177.444 177.300 0.075 0.000 1.244 219 P CA -0.369 62.783 63.100 0.086 0.000 0.801 219 P CB 2.109 33.869 31.700 0.101 0.000 1.006 220 V N -0.875 119.064 119.914 0.042 0.000 2.962 220 V HA 0.559 4.679 4.120 0.000 0.000 0.313 220 V C -0.681 175.412 176.094 -0.001 0.000 1.099 220 V CA -1.173 61.138 62.300 0.018 0.000 0.971 220 V CB 1.840 33.693 31.823 0.050 0.000 1.028 220 V HN 0.260 nan 8.190 nan 0.000 0.430 221 L N 3.333 124.551 121.223 -0.009 0.000 2.265 221 L HA 0.590 4.930 4.340 0.000 0.000 0.289 221 L C -0.531 176.343 176.870 0.006 0.000 1.033 221 L CA -0.688 54.147 54.840 -0.007 0.000 0.814 221 L CB 1.667 43.728 42.059 0.004 0.000 1.203 221 L HN 0.543 nan 8.230 nan 0.000 0.423 222 V N 5.077 124.990 119.914 -0.001 0.000 2.333 222 V HA 0.275 4.395 4.120 0.000 0.000 0.274 222 V C 0.142 176.270 176.094 0.057 0.000 1.028 222 V CA -0.495 61.836 62.300 0.053 0.000 0.851 222 V CB 1.755 33.605 31.823 0.044 0.000 1.000 222 V HN 0.409 nan 8.190 nan 0.000 0.456 223 V N 4.804 124.756 119.914 0.063 0.000 2.398 223 V HA 0.767 4.887 4.120 0.000 0.000 0.286 223 V C 0.781 176.908 176.094 0.055 0.000 1.026 223 V CA -0.157 62.170 62.300 0.046 0.000 0.868 223 V CB 1.503 33.337 31.823 0.020 0.000 0.982 223 V HN 0.882 nan 8.190 nan 0.000 0.443 224 G N 2.308 111.135 108.800 0.046 0.000 2.552 224 G HA2 0.571 4.531 3.960 0.000 0.000 0.324 224 G HA3 0.571 4.531 3.960 0.000 0.000 0.324 224 G C 0.876 175.795 174.900 0.030 0.000 1.217 224 G CA -0.012 45.106 45.100 0.029 0.000 0.989 224 G HN 0.884 nan 8.290 nan 0.000 0.490 225 A N -0.189 122.662 122.820 0.053 0.000 1.978 225 A HA 0.143 4.463 4.320 0.000 0.000 0.220 225 A C 2.646 180.287 177.584 0.094 0.000 1.170 225 A CA 2.469 54.574 52.037 0.114 0.000 0.636 225 A CB -0.735 18.390 19.000 0.208 0.000 0.810 225 A HN 1.383 nan 8.150 nan 0.000 0.448 226 A N -0.170 122.681 122.820 0.052 0.000 2.024 226 A HA 0.126 4.447 4.320 0.000 0.000 0.220 226 A C 2.411 180.011 177.584 0.027 0.000 1.164 226 A CA 1.946 54.006 52.037 0.038 0.000 0.643 226 A CB -0.818 18.190 19.000 0.014 0.000 0.806 226 A HN 1.055 nan 8.150 nan 0.000 0.451 227 A N -0.027 122.804 122.820 0.017 0.000 1.930 227 A HA -0.044 4.276 4.320 0.000 0.000 0.217 227 A C 2.053 179.634 177.584 -0.006 0.000 1.175 227 A CA 1.434 53.474 52.037 0.006 0.000 0.627 227 A CB -0.536 18.467 19.000 0.005 0.000 0.815 227 A HN 0.520 nan 8.150 nan 0.000 0.443 228 I N -0.982 119.574 120.570 -0.023 0.000 2.252 228 I HA -0.222 3.948 4.170 0.000 0.000 0.245 228 I C 2.658 178.789 176.117 0.023 0.000 1.102 228 I CA 1.078 62.337 61.300 -0.068 0.000 1.385 228 I CB -0.337 37.507 38.000 -0.261 0.000 1.064 228 I HN 0.247 nan 8.210 nan 0.000 0.414 229 R N -0.001 120.549 120.500 0.083 0.000 2.120 229 R HA -0.111 4.229 4.340 0.000 0.000 0.234 229 R C 2.411 178.740 176.300 0.048 0.000 1.123 229 R CA 1.343 57.499 56.100 0.092 0.000 0.975 229 R CB -0.363 29.990 30.300 0.089 0.000 0.866 229 R HN 0.222 nan 8.270 nan 0.000 0.446 230 S N -0.499 115.218 115.700 0.028 0.000 2.515 230 S HA 0.006 4.476 4.470 0.000 0.000 0.231 230 S C 1.106 175.714 174.600 0.014 0.000 0.987 230 S CA 0.857 59.065 58.200 0.013 0.000 0.936 230 S CB 0.010 63.212 63.200 0.003 0.000 0.766 230 S HN 0.631 nan 8.310 nan 0.000 0.528 231 G N 0.250 109.059 108.800 0.015 0.000 2.182 231 G HA2 -0.175 3.785 3.960 0.000 0.000 0.248 231 G HA3 -0.175 3.785 3.960 0.000 0.000 0.248 231 G C 0.418 175.321 174.900 0.005 0.000 1.042 231 G CA 0.207 45.313 45.100 0.010 0.000 0.775 231 G HN 0.909 nan 8.290 nan 0.000 0.501 232 A N -0.934 121.887 122.820 0.002 0.000 2.387 232 A HA 0.643 4.963 4.320 0.000 0.000 0.234 232 A C 2.154 179.736 177.584 -0.003 0.000 1.253 232 A CA 1.322 53.364 52.037 0.008 0.000 0.894 232 A CB 0.197 19.212 19.000 0.025 0.000 0.963 232 A HN 0.918 nan 8.150 nan 0.000 0.508 233 V N 1.113 121.013 119.914 -0.023 0.000 2.233 233 V HA -0.168 3.952 4.120 0.000 0.000 0.247 233 V C -0.054 176.025 176.094 -0.025 0.000 1.050 233 V CA 2.688 64.965 62.300 -0.037 0.000 1.010 233 V CB -1.412 30.371 31.823 -0.067 0.000 0.637 233 V HN 0.370 nan 8.190 nan 0.000 0.444 234 P HA -0.178 nan 4.420 nan 0.000 0.216 234 P C 1.688 178.987 177.300 -0.000 0.000 1.153 234 P CA 2.122 65.218 63.100 -0.006 0.000 0.858 234 P CB -0.188 31.512 31.700 -0.000 0.000 0.789 235 A N -0.847 121.975 122.820 0.004 0.000 1.902 235 A HA -0.182 4.138 4.320 0.000 0.000 0.217 235 A C 2.228 179.821 177.584 0.016 0.000 1.181 235 A CA 1.497 53.540 52.037 0.011 0.000 0.623 235 A CB -1.614 17.395 19.000 0.016 0.000 0.818 235 A HN 0.114 nan 8.150 nan 0.000 0.443 236 I N -0.997 119.581 120.570 0.014 0.000 2.226 236 I HA -0.258 3.912 4.170 0.000 0.000 0.245 236 I C 2.704 178.821 176.117 0.001 0.000 1.100 236 I CA 1.709 63.020 61.300 0.018 0.000 1.374 236 I CB -0.292 37.715 38.000 0.011 0.000 1.057 236 I HN 0.393 nan 8.210 nan 0.000 0.413 237 R N 1.276 121.764 120.500 -0.020 0.000 2.083 237 R HA -0.207 4.133 4.340 0.000 0.000 0.237 237 R C 2.357 178.657 176.300 0.000 0.000 1.137 237 R CA 1.814 57.890 56.100 -0.039 0.000 0.951 237 R CB -0.317 29.954 30.300 -0.049 0.000 0.851 237 R HN 0.350 nan 8.270 nan 0.000 0.434 238 A N 1.091 123.919 122.820 0.013 0.000 1.933 238 A HA -0.156 4.164 4.320 0.000 0.000 0.218 238 A C 2.069 179.667 177.584 0.023 0.000 1.175 238 A CA 1.324 53.374 52.037 0.022 0.000 0.628 238 A CB -0.600 18.408 19.000 0.014 0.000 0.814 238 A HN 0.429 nan 8.150 nan 0.000 0.444 239 L N -0.217 121.021 121.223 0.024 0.000 1.994 239 L HA -0.066 4.274 4.340 0.000 0.000 0.208 239 L C 2.671 179.570 176.870 0.049 0.000 1.071 239 L CA 2.332 57.194 54.840 0.037 0.000 0.745 239 L CB -0.745 41.357 42.059 0.072 0.000 0.892 239 L HN 0.323 nan 8.230 nan 0.000 0.431 240 A N -0.722 122.123 122.820 0.042 0.000 1.883 240 A HA -0.250 4.070 4.320 0.000 0.000 0.217 240 A C 2.175 179.790 177.584 0.052 0.000 1.186 240 A CA 1.986 54.045 52.037 0.035 0.000 0.624 240 A CB -0.746 18.250 19.000 -0.006 0.000 0.822 240 A HN 0.635 nan 8.150 nan 0.000 0.444 241 E N -0.963 119.276 120.200 0.065 0.000 2.077 241 E HA -0.206 4.145 4.350 0.000 0.000 0.193 241 E C 2.323 178.962 176.600 0.065 0.000 0.989 241 E CA 1.223 57.681 56.400 0.097 0.000 0.800 241 E CB -0.178 29.593 29.700 0.119 0.000 0.746 241 E HN 0.621 nan 8.360 nan 0.000 0.452 242 R N 0.767 121.295 120.500 0.046 0.000 2.081 242 R HA -0.107 4.233 4.340 0.000 0.000 0.235 242 R C 1.809 178.133 176.300 0.041 0.000 1.131 242 R CA 1.191 57.311 56.100 0.033 0.000 0.960 242 R CB -0.034 30.274 30.300 0.013 0.000 0.856 242 R HN 0.166 nan 8.270 nan 0.000 0.436 243 L N 0.523 121.776 121.223 0.050 0.000 2.607 243 L HA 0.135 4.475 4.340 0.000 0.000 0.228 243 L C 0.088 176.998 176.870 0.067 0.000 1.123 243 L CA -0.223 54.656 54.840 0.066 0.000 0.890 243 L CB 0.003 42.113 42.059 0.084 0.000 1.103 243 L HN 0.319 nan 8.230 nan 0.000 0.468 244 N N 1.490 120.227 118.700 0.061 0.000 2.727 244 N HA -0.208 4.532 4.740 0.000 0.000 0.251 244 N C -0.668 174.869 175.510 0.046 0.000 1.040 244 N CA 0.470 53.556 53.050 0.059 0.000 0.712 244 N CB -1.145 37.379 38.487 0.062 0.000 0.912 244 N HN 0.320 nan 8.380 nan 0.000 0.545 245 I N 0.595 121.183 120.570 0.030 0.000 2.330 245 I HA 0.356 4.526 4.170 0.000 0.000 0.289 245 I C -1.892 174.167 176.117 -0.096 0.000 1.001 245 I CA -2.082 59.218 61.300 0.001 0.000 1.193 245 I CB 1.472 39.500 38.000 0.047 0.000 1.345 245 I HN -0.002 nan 8.210 nan 0.000 0.461 246 P HA 0.049 nan 4.420 nan 0.000 0.267 246 P C -0.700 176.420 177.300 -0.300 0.000 1.200 246 P CA -0.090 62.669 63.100 -0.568 0.000 0.772 246 P CB 0.671 31.611 31.700 -1.267 0.000 0.855 247 V N 5.030 124.811 119.914 -0.222 0.000 2.357 247 V HA 0.368 4.488 4.120 0.000 0.000 0.284 247 V C 0.317 176.402 176.094 -0.015 0.000 1.018 247 V CA -0.312 61.936 62.300 -0.086 0.000 0.841 247 V CB 0.937 32.717 31.823 -0.072 0.000 0.991 247 V HN 0.386 nan 8.190 nan 0.000 0.437 248 I N 4.533 125.118 120.570 0.025 0.000 2.493 248 I HA 0.625 4.795 4.170 0.000 0.000 0.298 248 I C 0.393 176.573 176.117 0.104 0.000 0.998 248 I CA -0.224 61.129 61.300 0.088 0.000 1.137 248 I CB 2.447 40.521 38.000 0.123 0.000 1.310 248 I HN 0.725 nan 8.210 nan 0.000 0.445 249 T N 0.280 114.903 114.554 0.115 0.000 2.930 249 T HA 0.558 4.909 4.350 0.000 0.000 0.290 249 T C 0.122 174.914 174.700 0.153 0.000 1.052 249 T CA -0.723 61.445 62.100 0.114 0.000 1.017 249 T CB 1.672 70.592 68.868 0.087 0.000 1.137 249 T HN 0.669 nan 8.240 nan 0.000 0.511 250 T N 0.108 114.738 114.554 0.128 0.000 2.698 250 T HA 0.185 4.535 4.350 0.000 0.000 0.295 250 T C 0.931 175.771 174.700 0.235 0.000 1.007 250 T CA -0.391 61.772 62.100 0.105 0.000 0.980 250 T CB -0.117 68.753 68.868 0.003 0.000 1.036 250 T HN 0.532 nan 8.240 nan 0.000 0.526 251 Y N 0.648 121.024 120.300 0.127 0.000 2.128 251 Y HA -0.033 4.517 4.550 0.000 0.000 0.284 251 Y C 2.418 178.477 175.900 0.265 0.000 1.154 251 Y CA 1.025 59.238 58.100 0.189 0.000 1.149 251 Y CB -1.243 37.325 38.460 0.180 0.000 0.976 251 Y HN 0.697 nan 8.280 nan 0.000 0.505 252 I N -2.900 117.885 120.570 0.359 0.000 3.793 252 I HA 0.392 4.562 4.170 0.000 0.000 0.315 252 I C 1.703 177.988 176.117 0.281 0.000 1.275 252 I CA 0.808 62.312 61.300 0.339 0.000 1.214 252 I CB -0.266 37.910 38.000 0.294 0.000 1.018 252 I HN -0.013 nan 8.210 nan 0.000 0.439 253 A N 1.024 123.954 122.820 0.184 0.000 2.278 253 A HA 0.217 4.537 4.320 0.000 0.000 0.212 253 A C 0.860 178.484 177.584 0.066 0.000 1.213 253 A CA -0.252 51.828 52.037 0.072 0.000 0.840 253 A CB -0.430 18.599 19.000 0.049 0.000 0.866 253 A HN 0.366 nan 8.150 nan 0.000 0.489 254 K N -0.437 120.045 120.400 0.137 0.000 2.489 254 K HA 0.319 4.639 4.320 0.000 0.000 0.278 254 K C 1.170 177.813 176.600 0.071 0.000 1.000 254 K CA 0.985 57.336 56.287 0.106 0.000 1.012 254 K CB 0.160 32.744 32.500 0.140 0.000 0.903 254 K HN 0.579 nan 8.250 nan 0.000 0.485 255 G N 0.784 109.603 108.800 0.032 0.000 2.176 255 G HA2 -0.291 3.669 3.960 0.000 0.000 0.232 255 G HA3 -0.291 3.669 3.960 0.000 0.000 0.232 255 G C 0.704 175.584 174.900 -0.034 0.000 0.986 255 G CA 0.175 45.281 45.100 0.011 0.000 0.643 255 G HN 0.539 nan 8.290 nan 0.000 0.522 256 V N -1.496 118.386 119.914 -0.053 0.000 2.759 256 V HA 0.426 4.546 4.120 0.000 0.000 0.256 256 V C 1.211 177.257 176.094 -0.081 0.000 1.080 256 V CA 1.386 63.640 62.300 -0.078 0.000 1.101 256 V CB -0.299 31.478 31.823 -0.078 0.000 0.698 256 V HN 0.437 nan 8.190 nan 0.000 0.477 257 L N 0.536 121.712 121.223 -0.078 0.000 2.346 257 L HA 0.586 4.926 4.340 0.000 0.000 0.274 257 L C -2.505 174.354 176.870 -0.018 0.000 1.007 257 L CA -2.200 52.572 54.840 -0.114 0.000 0.818 257 L CB 2.115 44.033 42.059 -0.234 0.000 1.284 257 L HN -0.022 nan 8.230 nan 0.000 0.424 258 P HA 0.006 nan 4.420 nan 0.000 0.269 258 P C -0.532 176.820 177.300 0.087 0.000 1.217 258 P CA -0.357 62.785 63.100 0.070 0.000 0.783 258 P CB 0.426 32.187 31.700 0.102 0.000 0.898 259 V N 2.138 122.089 119.914 0.063 0.000 2.557 259 V HA 0.221 4.341 4.120 0.000 0.000 0.301 259 V C 1.702 177.836 176.094 0.067 0.000 1.026 259 V CA 2.005 64.340 62.300 0.058 0.000 1.137 259 V CB -0.577 31.271 31.823 0.043 0.000 0.917 259 V HN 1.053 nan 8.190 nan 0.000 0.484 260 G N 2.858 111.700 108.800 0.069 0.000 2.213 260 G HA2 -0.236 3.724 3.960 0.000 0.000 0.236 260 G HA3 -0.236 3.724 3.960 0.000 0.000 0.236 260 G C 0.354 175.298 174.900 0.074 0.000 0.991 260 G CA 0.196 45.329 45.100 0.054 0.000 0.629 260 G HN 0.900 nan 8.290 nan 0.000 0.517 261 H N 2.290 121.374 119.070 0.024 0.000 2.928 261 H HA 0.171 4.727 4.556 0.000 0.000 0.338 261 H C 1.932 177.289 175.328 0.048 0.000 1.047 261 H CA 1.142 57.209 56.048 0.032 0.000 1.435 261 H CB 0.729 30.510 29.762 0.032 0.000 1.428 261 H HN 0.682 nan 8.280 nan 0.000 0.590 262 E N 4.084 124.323 120.200 0.066 0.000 2.265 262 E HA -0.124 4.226 4.350 0.000 0.000 0.196 262 E C 0.996 177.784 176.600 0.313 0.000 0.996 262 E CA 0.933 57.415 56.400 0.137 0.000 0.832 262 E CB 0.051 29.770 29.700 0.033 0.000 0.756 262 E HN 0.591 nan 8.360 nan 0.000 0.491 263 L N 0.697 122.206 121.223 0.476 0.000 2.640 263 L HA 0.164 4.504 4.340 0.000 0.000 0.230 263 L C 0.777 177.771 176.870 0.207 0.000 1.123 263 L CA -0.434 54.564 54.840 0.263 0.000 0.900 263 L CB -0.078 42.056 42.059 0.126 0.000 1.146 263 L HN 0.009 nan 8.230 nan 0.000 0.484 264 N N 0.153 119.004 118.700 0.252 0.000 2.549 264 N HA -0.056 4.684 4.740 0.000 0.000 0.267 264 N C 0.387 176.043 175.510 0.242 0.000 1.182 264 N CA 0.123 53.271 53.050 0.163 0.000 1.019 264 N CB 0.126 38.684 38.487 0.118 0.000 1.380 264 N HN 0.054 nan 8.380 nan 0.000 0.505 265 Y N 1.418 121.696 120.300 -0.037 0.000 2.529 265 Y HA 0.245 4.795 4.550 0.000 0.000 0.290 265 Y C 1.735 177.591 175.900 -0.074 0.000 1.177 265 Y CA 0.309 58.367 58.100 -0.071 0.000 1.305 265 Y CB -0.355 38.047 38.460 -0.097 0.000 1.047 265 Y HN 0.574 nan 8.280 nan 0.000 0.522 266 G N -0.186 108.662 108.800 0.081 0.000 2.710 266 G HA2 0.138 4.098 3.960 0.000 0.000 0.668 266 G HA3 0.138 4.098 3.960 0.000 0.000 0.668 266 G C -0.623 174.298 174.900 0.035 0.000 1.320 266 G CA -0.767 44.339 45.100 0.010 0.000 0.860 266 G HN 0.498 nan 8.290 nan 0.000 0.538 267 A N -0.987 121.839 122.820 0.010 0.000 2.293 267 A HA 0.908 5.228 4.320 0.000 0.000 0.302 267 A C 0.682 178.319 177.584 0.089 0.000 1.119 267 A CA 0.282 52.365 52.037 0.076 0.000 0.823 267 A CB 1.043 20.089 19.000 0.078 0.000 1.097 267 A HN 2.288 nan 8.150 nan 0.000 0.491 268 V N -0.506 119.526 119.914 0.197 0.000 2.547 268 V HA 0.860 4.980 4.120 0.000 0.000 0.299 268 V C 0.100 176.383 176.094 0.314 0.000 1.040 268 V CA -0.219 62.217 62.300 0.226 0.000 0.913 268 V CB 1.203 33.226 31.823 0.334 0.000 0.992 268 V HN 1.044 nan 8.190 nan 0.000 0.449 269 T N 1.921 116.624 114.554 0.249 0.000 2.909 269 T HA 0.591 4.942 4.350 0.000 0.000 0.299 269 T C 1.116 175.932 174.700 0.194 0.000 1.073 269 T CA 0.289 62.597 62.100 0.347 0.000 0.999 269 T CB 1.693 70.772 68.868 0.351 0.000 1.098 269 T HN 1.180 nan 8.240 nan 0.000 0.477 270 G N 1.802 110.688 108.800 0.142 0.000 2.498 270 G HA2 0.026 3.986 3.960 0.000 0.000 0.219 270 G HA3 0.026 3.986 3.960 0.000 0.000 0.219 270 G C 0.197 175.027 174.900 -0.117 0.000 1.119 270 G CA 0.787 45.858 45.100 -0.048 0.000 0.766 270 G HN 0.670 nan 8.290 nan 0.000 0.552 274 G N 1.329 109.811 108.800 -0.531 0.000 2.418 274 G HA2 -0.150 3.810 3.960 0.000 0.000 0.217 274 G HA3 -0.150 3.810 3.960 0.000 0.000 0.217 274 G C 1.635 176.326 174.900 -0.348 0.000 1.158 274 G CA 0.881 45.343 45.100 -1.062 0.000 0.771 274 G HN 0.310 nan 8.290 nan 0.000 0.545 275 I N 0.052 120.572 120.570 -0.085 0.000 2.286 275 I HA -0.016 4.154 4.170 0.000 0.000 0.245 275 I C 2.384 178.458 176.117 -0.071 0.000 1.104 275 I CA 0.698 62.011 61.300 0.022 0.000 1.397 275 I CB -0.048 37.766 38.000 -0.309 0.000 1.072 275 I HN 0.087 nan 8.210 nan 0.000 0.417 276 L N 0.071 121.162 121.223 -0.219 0.000 2.554 276 L HA 0.064 4.404 4.340 0.000 0.000 0.226 276 L C 0.266 177.234 176.870 0.162 0.000 1.137 276 L CA 0.104 54.774 54.840 -0.283 0.000 0.863 276 L CB -0.415 41.457 42.059 -0.312 0.000 0.985 276 L HN 0.308 nan 8.230 nan 0.000 0.451 277 N N 0.812 119.600 118.700 0.146 0.000 2.688 277 N HA -0.258 4.482 4.740 0.000 0.000 0.258 277 N C -0.729 174.917 175.510 0.227 0.000 1.016 277 N CA 1.064 54.211 53.050 0.162 0.000 0.747 277 N CB -0.889 37.727 38.487 0.214 0.000 0.895 277 N HN 0.243 nan 8.380 nan 0.000 0.543 278 F N 0.033 119.969 119.950 -0.024 0.000 2.650 278 F HA 0.327 4.854 4.527 0.000 0.000 0.310 278 F C -2.298 173.473 175.800 -0.048 0.000 1.112 278 F CA -1.629 56.358 58.000 -0.022 0.000 0.986 278 F CB 1.761 40.748 39.000 -0.021 0.000 1.285 278 F HN -0.166 nan 8.300 nan 0.000 0.440 279 P HA 0.196 nan 4.420 nan 0.000 0.230 279 P C -0.030 177.227 177.300 -0.071 0.000 1.791 279 P CA 0.381 63.318 63.100 -0.271 0.000 1.020 279 P CB 0.381 31.873 31.700 -0.345 0.000 1.977 280 A N 2.441 125.363 122.820 0.169 0.000 1.873 280 A HA -0.128 4.192 4.320 0.000 0.000 0.215 280 A C 2.096 179.759 177.584 0.132 0.000 1.186 280 A CA 1.129 53.312 52.037 0.244 0.000 0.616 280 A CB -1.126 17.957 19.000 0.138 0.000 0.823 280 A HN 0.345 nan 8.150 nan 0.000 0.442 281 L N -0.667 120.627 121.223 0.119 0.000 2.093 281 L HA -0.209 4.131 4.340 0.000 0.000 0.208 281 L C 2.921 179.931 176.870 0.233 0.000 1.085 281 L CA 1.104 56.072 54.840 0.213 0.000 0.755 281 L CB -0.472 41.702 42.059 0.191 0.000 0.904 281 L HN 0.415 nan 8.230 nan 0.000 0.435 282 Q N -0.421 119.451 119.800 0.121 0.000 2.079 282 Q HA -0.063 4.278 4.340 0.000 0.000 0.200 282 Q C 1.148 177.202 176.000 0.090 0.000 0.974 282 Q CA 1.012 56.872 55.803 0.094 0.000 0.840 282 Q CB -0.589 28.158 28.738 0.016 0.000 0.898 282 Q HN 0.455 nan 8.270 nan 0.000 0.430 286 A N 1.465 124.381 122.820 0.160 0.000 1.903 286 A HA -0.140 4.180 4.320 0.000 0.000 0.219 286 A C -0.492 177.109 177.584 0.028 0.000 1.191 286 A CA 2.534 54.623 52.037 0.086 0.000 0.638 286 A CB -1.918 17.116 19.000 0.057 0.000 0.823 286 A HN 0.249 nan 8.150 nan 0.000 0.451 287 P HA 0.167 nan 4.420 nan 0.000 0.255 287 P C -0.062 177.184 177.300 -0.090 0.000 1.248 287 P CA 0.189 63.239 63.100 -0.084 0.000 0.807 287 P CB -0.082 31.515 31.700 -0.171 0.000 1.150 288 V N 3.244 123.082 119.914 -0.127 0.000 2.572 288 V HA 0.007 4.127 4.120 0.000 0.000 0.291 288 V C 1.467 177.589 176.094 0.046 0.000 1.039 288 V CA 0.816 63.081 62.300 -0.059 0.000 1.055 288 V CB 0.665 32.482 31.823 -0.011 0.000 0.969 288 V HN 0.172 nan 8.190 nan 0.000 0.482 289 D N 2.872 123.311 120.400 0.066 0.000 2.441 289 D HA 0.179 4.819 4.640 0.000 0.000 0.210 289 D C -0.110 176.214 176.300 0.040 0.000 1.102 289 D CA -0.082 53.952 54.000 0.057 0.000 0.840 289 D CB 0.646 41.480 40.800 0.055 0.000 0.990 289 D HN 0.322 nan 8.370 nan 0.000 0.505 290 L N 0.916 122.158 121.223 0.031 0.000 2.516 290 L HA 0.475 4.815 4.340 0.000 0.000 0.267 290 L C -1.821 175.025 176.870 -0.041 0.000 0.957 290 L CA -0.870 53.974 54.840 0.007 0.000 0.860 290 L CB 2.316 44.400 42.059 0.042 0.000 1.265 290 L HN -0.179 nan 8.230 nan 0.000 0.403 291 V N 6.267 126.094 119.914 -0.145 0.000 2.357 291 V HA 0.460 4.580 4.120 0.000 0.000 0.284 291 V C -0.317 175.614 176.094 -0.272 0.000 1.018 291 V CA -0.407 61.717 62.300 -0.294 0.000 0.841 291 V CB 1.399 32.778 31.823 -0.739 0.000 0.991 291 V HN 0.574 nan 8.190 nan 0.000 0.437 292 L N 5.076 126.188 121.223 -0.186 0.000 2.264 292 L HA 0.407 4.748 4.340 0.000 0.000 0.287 292 L C 0.797 177.556 176.870 -0.184 0.000 1.039 292 L CA -0.096 54.644 54.840 -0.168 0.000 0.829 292 L CB 1.427 43.428 42.059 -0.097 0.000 1.211 292 L HN 0.774 nan 8.230 nan 0.000 0.427 293 T N 0.328 114.753 114.554 -0.215 0.000 2.863 293 T HA 0.396 4.746 4.350 0.000 0.000 0.299 293 T C 0.045 174.729 174.700 -0.026 0.000 0.973 293 T CA -0.674 61.360 62.100 -0.109 0.000 0.994 293 T CB 0.132 68.910 68.868 -0.150 0.000 0.961 293 T HN 0.139 nan 8.240 nan 0.000 0.552 294 V N 3.848 123.750 119.914 -0.020 0.000 2.389 294 V HA 0.576 4.696 4.120 0.000 0.000 0.264 294 V C 1.415 177.519 176.094 0.016 0.000 1.049 294 V CA 0.202 62.479 62.300 -0.038 0.000 0.932 294 V CB -0.026 31.793 31.823 -0.006 0.000 1.011 294 V HN 1.279 nan 8.190 nan 0.000 0.475 295 G N 4.047 112.848 108.800 0.003 0.000 2.256 295 G HA2 -0.309 3.651 3.960 0.000 0.000 0.272 295 G HA3 -0.309 3.651 3.960 0.000 0.000 0.272 295 G C -0.202 174.741 174.900 0.071 0.000 1.076 295 G CA -0.062 45.052 45.100 0.024 0.000 0.882 295 G HN 0.868 nan 8.290 nan 0.000 0.497 296 Y N 1.022 121.330 120.300 0.012 0.000 2.511 296 Y HA 0.462 5.012 4.550 0.000 0.000 0.332 296 Y C 0.187 176.142 175.900 0.091 0.000 1.177 296 Y CA 0.300 58.446 58.100 0.077 0.000 1.422 296 Y CB 1.080 39.639 38.460 0.164 0.000 1.271 296 Y HN 0.226 nan 8.280 nan 0.000 0.550 297 D N 4.869 124.843 120.400 -0.710 0.000 2.616 297 D HA 0.023 4.663 4.640 0.000 0.000 0.238 297 D C -0.047 175.878 176.300 -0.624 0.000 1.354 297 D CA -0.510 53.218 54.000 -0.453 0.000 0.970 297 D CB 0.366 41.046 40.800 -0.199 0.000 1.369 297 D HN 0.577 nan 8.370 nan 0.000 0.585 298 Y N 3.656 123.655 120.300 -0.502 0.000 2.241 298 Y HA -0.190 4.360 4.550 0.000 0.000 0.286 298 Y C 1.956 177.744 175.900 -0.186 0.000 1.166 298 Y CA 2.269 60.229 58.100 -0.233 0.000 1.203 298 Y CB -0.180 38.295 38.460 0.026 0.000 0.977 298 Y HN 0.541 nan 8.280 nan 0.000 0.529 299 A N -0.168 122.565 122.820 -0.144 0.000 2.019 299 A HA -0.185 4.135 4.320 0.000 0.000 0.219 299 A C 2.032 179.476 177.584 -0.232 0.000 1.164 299 A CA 1.612 53.538 52.037 -0.184 0.000 0.644 299 A CB -0.624 18.319 19.000 -0.095 0.000 0.805 299 A HN 0.613 nan 8.150 nan 0.000 0.449 300 E N -1.348 118.697 120.200 -0.259 0.000 2.472 300 E HA -0.107 4.243 4.350 0.000 0.000 0.200 300 E C 0.153 176.508 176.600 -0.408 0.000 1.046 300 E CA 0.480 56.703 56.400 -0.294 0.000 0.871 300 E CB -0.065 29.484 29.700 -0.251 0.000 0.806 300 E HN 0.534 nan 8.360 nan 0.000 0.533 301 D N -0.497 119.684 120.400 -0.365 0.000 3.090 301 D HA -0.194 4.446 4.640 0.000 0.000 0.215 301 D C -0.713 175.443 176.300 -0.240 0.000 1.140 301 D CA 0.366 54.164 54.000 -0.336 0.000 0.937 301 D CB -1.164 39.479 40.800 -0.261 0.000 1.108 301 D HN 0.177 nan 8.370 nan 0.000 0.420 302 L N 1.240 122.360 121.223 -0.171 0.000 2.302 302 L HA 0.334 4.675 4.340 0.000 0.000 0.285 302 L C 0.555 177.488 176.870 0.104 0.000 1.090 302 L CA -0.425 54.423 54.840 0.013 0.000 0.866 302 L CB 0.070 42.203 42.059 0.123 0.000 1.244 302 L HN -0.048 nan 8.230 nan 0.000 0.435 303 R N 4.584 125.059 120.500 -0.041 0.000 2.500 303 R HA 0.296 4.636 4.340 0.000 0.000 0.277 303 R C -1.622 174.320 176.300 -0.597 0.000 1.026 303 R CA -1.665 54.377 56.100 -0.097 0.000 1.058 303 R CB 0.439 30.689 30.300 -0.083 0.000 1.078 303 R HN 0.365 nan 8.270 nan 0.000 0.509 304 P HA -0.211 nan 4.420 nan 0.000 0.216 304 P C 0.311 176.781 177.300 -1.384 0.000 1.150 304 P CA 1.272 63.186 63.100 -1.977 0.000 0.843 304 P CB 0.070 31.100 31.700 -1.116 0.000 0.787 308 Q N 3.017 122.603 119.800 -0.358 0.000 3.026 308 Q HA 0.218 4.558 4.340 0.000 0.000 0.258 308 Q C -0.327 175.632 176.000 -0.067 0.000 1.388 308 Q CA 0.517 56.231 55.803 -0.149 0.000 1.000 308 Q CB 0.147 28.733 28.738 -0.253 0.000 1.634 308 Q HN -0.102 nan 8.270 nan 0.000 0.571 309 K N 0.341 120.756 120.400 0.025 0.000 2.371 309 K HA 0.590 4.910 4.320 0.000 0.000 0.251 309 K C 0.453 177.100 176.600 0.078 0.000 0.934 309 K CA -0.099 56.223 56.287 0.059 0.000 0.798 309 K CB 2.020 34.600 32.500 0.135 0.000 1.204 309 K HN 0.465 nan 8.250 nan 0.000 0.427 310 G N 2.577 111.407 108.800 0.049 0.000 2.561 310 G HA2 -0.329 3.631 3.960 0.000 0.000 0.289 310 G HA3 -0.329 3.631 3.960 0.000 0.000 0.289 310 G C 0.261 175.185 174.900 0.040 0.000 1.169 310 G CA 0.258 45.383 45.100 0.043 0.000 0.980 310 G HN 0.783 nan 8.290 nan 0.000 0.550 311 I N -0.282 120.316 120.570 0.046 0.000 2.882 311 I HA 0.580 4.750 4.170 0.000 0.000 0.286 311 I C 0.421 176.570 176.117 0.053 0.000 1.139 311 I CA -0.671 60.656 61.300 0.044 0.000 1.379 311 I CB 0.533 38.560 38.000 0.045 0.000 1.410 311 I HN 0.428 nan 8.210 nan 0.000 0.594 312 E N 3.397 123.625 120.200 0.046 0.000 2.413 312 E HA 0.197 4.547 4.350 0.000 0.000 0.263 312 E C -0.851 175.786 176.600 0.063 0.000 1.015 312 E CA 0.162 56.594 56.400 0.052 0.000 0.916 312 E CB 0.830 30.553 29.700 0.039 0.000 0.947 312 E HN 0.483 nan 8.360 nan 0.000 0.440 313 K N 1.869 122.317 120.400 0.081 0.000 2.316 313 K HA 0.323 4.643 4.320 0.000 0.000 0.251 313 K C -0.197 176.443 176.600 0.068 0.000 0.934 313 K CA -0.833 55.499 56.287 0.075 0.000 0.802 313 K CB 1.749 34.306 32.500 0.095 0.000 1.171 313 K HN 0.053 nan 8.250 nan 0.000 0.426 314 K N 1.408 121.834 120.400 0.043 0.000 2.154 314 K HA 0.298 4.618 4.320 0.000 0.000 0.264 314 K C -0.175 176.432 176.600 0.012 0.000 1.008 314 K CA -0.255 56.054 56.287 0.037 0.000 0.937 314 K CB 1.407 33.928 32.500 0.034 0.000 1.002 314 K HN 0.843 nan 8.250 nan 0.000 0.469 315 T N -2.268 112.299 114.554 0.022 0.000 2.876 315 T HA 0.546 4.896 4.350 0.000 0.000 0.289 315 T C -0.433 174.248 174.700 -0.032 0.000 1.014 315 T CA -0.879 61.212 62.100 -0.014 0.000 0.986 315 T CB 1.426 70.378 68.868 0.140 0.000 1.021 315 T HN 0.115 nan 8.240 nan 0.000 0.458 316 V N 2.563 122.426 119.914 -0.084 0.000 2.444 316 V HA 0.572 4.692 4.120 0.000 0.000 0.294 316 V C 0.130 176.127 176.094 -0.161 0.000 1.022 316 V CA -0.970 61.257 62.300 -0.121 0.000 0.850 316 V CB 1.546 33.295 31.823 -0.124 0.000 0.992 316 V HN 0.972 nan 8.190 nan 0.000 0.426 317 R N 4.381 124.765 120.500 -0.193 0.000 2.265 317 R HA 0.718 5.058 4.340 0.000 0.000 0.319 317 R C -1.474 174.675 176.300 -0.252 0.000 1.006 317 R CA -0.512 55.483 56.100 -0.176 0.000 0.880 317 R CB 0.950 31.082 30.300 -0.281 0.000 1.077 317 R HN 0.661 nan 8.270 nan 0.000 0.454 318 I N 2.696 123.109 120.570 -0.262 0.000 2.410 318 I HA 0.319 4.489 4.170 0.000 0.000 0.286 318 I C -0.552 175.460 176.117 -0.175 0.000 1.009 318 I CA -0.103 60.974 61.300 -0.372 0.000 1.111 318 I CB 2.052 39.614 38.000 -0.730 0.000 1.262 318 I HN 0.509 nan 8.210 nan 0.000 0.443 319 S N 6.640 122.253 115.700 -0.147 0.000 2.535 319 S HA 0.545 5.015 4.470 0.000 0.000 0.272 319 S C -2.641 171.901 174.600 -0.097 0.000 1.149 319 S CA -1.003 57.154 58.200 -0.073 0.000 0.888 319 S CB 2.006 65.208 63.200 0.003 0.000 1.110 319 S HN 0.371 nan 8.310 nan 0.000 0.463 320 P HA 0.185 nan 4.420 nan 0.000 0.258 320 P C -0.112 177.155 177.300 -0.055 0.000 1.559 320 P CA 0.147 63.194 63.100 -0.088 0.000 0.855 320 P CB -0.898 30.758 31.700 -0.073 0.000 1.594 321 T N -4.104 110.426 114.554 -0.041 0.000 2.916 321 T HA 0.392 4.742 4.350 0.000 0.000 0.305 321 T C -0.315 174.372 174.700 -0.021 0.000 1.119 321 T CA -0.763 61.325 62.100 -0.021 0.000 1.008 321 T CB 1.295 70.163 68.868 -0.001 0.000 1.129 321 T HN -0.236 nan 8.240 nan 0.000 0.480 322 V N 2.915 122.819 119.914 -0.017 0.000 2.740 322 V HA 0.189 4.309 4.120 0.000 0.000 0.303 322 V C 1.073 177.159 176.094 -0.013 0.000 1.054 322 V CA -0.567 61.721 62.300 -0.020 0.000 1.106 322 V CB 0.327 32.141 31.823 -0.015 0.000 0.957 322 V HN 1.003 nan 8.190 nan 0.000 0.486 323 N N 6.834 125.516 118.700 -0.030 0.000 2.417 323 N HA 0.041 4.781 4.740 0.000 0.000 0.272 323 N C -1.011 174.490 175.510 -0.015 0.000 1.304 323 N CA -1.286 51.749 53.050 -0.026 0.000 0.906 323 N CB 0.936 39.369 38.487 -0.089 0.000 1.135 323 N HN 0.430 nan 8.380 nan 0.000 0.483 324 P HA 0.047 nan 4.420 nan 0.000 0.240 324 P C 0.275 177.563 177.300 -0.021 0.000 1.190 324 P CA 0.714 63.816 63.100 0.004 0.000 0.781 324 P CB 0.019 31.737 31.700 0.030 0.000 0.931 325 I N -3.694 116.849 120.570 -0.044 0.000 2.998 325 I HA 0.403 4.573 4.170 0.000 0.000 0.338 325 I C -1.914 174.144 176.117 -0.098 0.000 1.413 325 I CA -2.470 58.763 61.300 -0.111 0.000 0.880 325 I CB 1.137 38.964 38.000 -0.289 0.000 2.051 325 I HN -0.326 nan 8.210 nan 0.000 0.561 326 P HA -0.194 nan 4.420 nan 0.000 0.222 326 P C 1.507 178.771 177.300 -0.061 0.000 1.147 326 P CA 1.143 64.200 63.100 -0.072 0.000 0.790 326 P CB 0.123 31.784 31.700 -0.064 0.000 0.780 327 R N 0.203 120.663 120.500 -0.066 0.000 2.120 327 R HA -0.073 4.267 4.340 0.000 0.000 0.234 327 R C 1.689 177.949 176.300 -0.068 0.000 1.123 327 R CA 1.438 57.502 56.100 -0.059 0.000 0.975 327 R CB -0.224 30.042 30.300 -0.055 0.000 0.866 327 R HN 0.067 nan 8.270 nan 0.000 0.446 328 V N -1.189 118.662 119.914 -0.104 0.000 2.788 328 V HA 0.051 4.171 4.120 0.000 0.000 0.241 328 V C -0.142 175.929 176.094 -0.038 0.000 1.083 328 V CA 0.366 62.589 62.300 -0.128 0.000 1.103 328 V CB 0.151 31.785 31.823 -0.315 0.000 0.800 328 V HN 0.191 nan 8.190 nan 0.000 0.476 329 Y N 2.065 122.255 120.300 -0.183 0.000 2.332 329 Y HA 0.572 5.122 4.550 0.000 0.000 0.326 329 Y C -0.151 175.697 175.900 -0.088 0.000 0.978 329 Y CA -1.939 56.084 58.100 -0.128 0.000 1.205 329 Y CB 0.885 39.260 38.460 -0.142 0.000 1.131 329 Y HN 0.038 nan 8.280 nan 0.000 0.462 330 R N 7.539 128.055 120.500 0.027 0.000 2.396 330 R HA 0.318 4.658 4.340 0.000 0.000 0.292 330 R C -2.592 173.610 176.300 -0.164 0.000 1.240 330 R CA -1.692 54.330 56.100 -0.129 0.000 1.270 330 R CB 0.923 31.193 30.300 -0.049 0.000 1.108 330 R HN 0.470 nan 8.270 nan 0.000 0.573 331 P HA 0.004 nan 4.420 nan 0.000 0.269 331 P C -0.079 177.141 177.300 -0.133 0.000 1.215 331 P CA -0.141 62.776 63.100 -0.305 0.000 0.780 331 P CB 1.163 32.528 31.700 -0.558 0.000 0.898 332 D N 0.032 120.403 120.400 -0.048 0.000 2.144 332 D HA -0.027 4.613 4.640 0.000 0.000 0.200 332 D C 0.331 176.608 176.300 -0.038 0.000 0.978 332 D CA 1.427 55.412 54.000 -0.026 0.000 0.833 332 D CB 0.304 41.108 40.800 0.007 0.000 0.961 332 D HN 0.116 nan 8.370 nan 0.000 0.470 333 V N 1.278 121.158 119.914 -0.057 0.000 2.525 333 V HA 0.168 4.288 4.120 0.000 0.000 0.299 333 V C -0.770 175.259 176.094 -0.109 0.000 1.034 333 V CA -0.910 61.359 62.300 -0.051 0.000 0.863 333 V CB 2.393 34.215 31.823 -0.002 0.000 0.999 333 V HN -0.144 nan 8.190 nan 0.000 0.423 334 D N 3.552 123.890 120.400 -0.104 0.000 2.392 334 D HA 0.461 5.101 4.640 0.000 0.000 0.228 334 D C -0.717 175.532 176.300 -0.084 0.000 1.074 334 D CA -0.125 53.793 54.000 -0.137 0.000 0.838 334 D CB 1.953 42.666 40.800 -0.145 0.000 1.067 334 D HN 0.278 nan 8.370 nan 0.000 0.511 335 V N 4.656 124.493 119.914 -0.128 0.000 2.277 335 V HA 0.229 4.350 4.120 0.000 0.000 0.269 335 V C 0.244 176.267 176.094 -0.118 0.000 1.036 335 V CA -0.838 61.414 62.300 -0.079 0.000 0.821 335 V CB 1.316 33.034 31.823 -0.175 0.000 1.052 335 V HN 0.323 nan 8.190 nan 0.000 0.462 336 V N 4.840 124.725 119.914 -0.049 0.000 2.320 336 V HA 0.634 4.754 4.120 0.000 0.000 0.265 336 V C 0.331 176.313 176.094 -0.187 0.000 1.048 336 V CA 0.426 62.669 62.300 -0.094 0.000 0.865 336 V CB 0.735 32.531 31.823 -0.046 0.000 1.043 336 V HN 0.987 nan 8.190 nan 0.000 0.474 337 T N 2.600 116.968 114.554 -0.310 0.000 2.663 337 T HA 0.207 4.557 4.350 0.000 0.000 0.305 337 T C -1.578 172.888 174.700 -0.389 0.000 1.660 337 T CA -0.679 61.087 62.100 -0.556 0.000 0.976 337 T CB 1.653 69.732 68.868 -1.314 0.000 1.705 337 T HN 0.711 nan 8.240 nan 0.000 0.494 338 D N 0.828 120.992 120.400 -0.394 0.000 2.425 338 D HA 0.238 4.878 4.640 0.000 0.000 0.247 338 D C 1.533 177.734 176.300 -0.166 0.000 1.147 338 D CA 0.160 54.028 54.000 -0.220 0.000 0.879 338 D CB 0.874 41.574 40.800 -0.168 0.000 1.179 338 D HN 0.249 nan 8.370 nan 0.000 0.456 339 V N 3.955 123.823 119.914 -0.077 0.000 2.287 339 V HA -0.218 3.902 4.120 0.000 0.000 0.248 339 V C 2.174 178.309 176.094 0.069 0.000 1.053 339 V CA 1.450 63.752 62.300 0.004 0.000 1.027 339 V CB -0.700 31.126 31.823 0.005 0.000 0.646 339 V HN 0.617 nan 8.190 nan 0.000 0.447 340 L N 0.817 122.055 121.223 0.025 0.000 2.046 340 L HA -0.061 4.279 4.340 0.000 0.000 0.208 340 L C 2.481 179.377 176.870 0.045 0.000 1.077 340 L CA 2.309 57.170 54.840 0.036 0.000 0.747 340 L CB -1.053 41.018 42.059 0.020 0.000 0.896 340 L HN 0.222 nan 8.230 nan 0.000 0.432 341 A N -0.665 122.157 122.820 0.004 0.000 1.892 341 A HA -0.312 4.008 4.320 0.000 0.000 0.218 341 A C 2.296 179.951 177.584 0.120 0.000 1.188 341 A CA 2.098 54.150 52.037 0.024 0.000 0.631 341 A CB -1.310 17.605 19.000 -0.141 0.000 0.822 341 A HN 0.587 nan 8.150 nan 0.000 0.447 342 F N 0.993 120.874 119.950 -0.116 0.000 2.069 342 F HA -0.183 4.344 4.527 0.000 0.000 0.298 342 F C 2.185 178.113 175.800 0.213 0.000 1.113 342 F CA 2.160 60.207 58.000 0.077 0.000 1.214 342 F CB -0.590 38.366 39.000 -0.073 0.000 0.978 342 F HN 0.023 nan 8.300 nan 0.000 0.474 343 V N 0.804 120.659 119.914 -0.099 0.000 2.332 343 V HA -0.305 3.815 4.120 0.000 0.000 0.248 343 V C 2.310 178.360 176.094 -0.073 0.000 1.055 343 V CA 2.364 64.566 62.300 -0.164 0.000 1.038 343 V CB -0.853 30.982 31.823 0.021 0.000 0.651 343 V HN 0.400 nan 8.190 nan 0.000 0.450 344 E N -0.558 119.652 120.200 0.016 0.000 2.072 344 E HA -0.261 4.089 4.350 0.000 0.000 0.191 344 E C 2.165 178.794 176.600 0.049 0.000 0.985 344 E CA 1.565 57.988 56.400 0.039 0.000 0.801 344 E CB -0.246 29.496 29.700 0.071 0.000 0.750 344 E HN 0.786 nan 8.360 nan 0.000 0.452 345 H N -0.387 118.712 119.070 0.049 0.000 2.357 345 H HA -0.141 4.416 4.556 0.000 0.000 0.301 345 H C 1.782 177.081 175.328 -0.048 0.000 1.082 345 H CA 1.449 57.525 56.048 0.047 0.000 1.342 345 H CB -0.082 29.803 29.762 0.205 0.000 1.389 345 H HN 0.090 nan 8.280 nan 0.000 0.511 346 F N 1.411 121.208 119.950 -0.254 0.000 2.171 346 F HA -0.134 4.393 4.527 0.000 0.000 0.300 346 F C 2.258 177.856 175.800 -0.337 0.000 1.090 346 F CA 1.338 59.100 58.000 -0.397 0.000 1.293 346 F CB -0.107 38.415 39.000 -0.796 0.000 1.013 346 F HN 0.219 nan 8.300 nan 0.000 0.486 347 E N -0.393 119.692 120.200 -0.191 0.000 2.058 347 E HA -0.184 4.166 4.350 0.000 0.000 0.194 347 E C 2.210 178.632 176.600 -0.296 0.000 0.997 347 E CA 1.982 58.246 56.400 -0.226 0.000 0.801 347 E CB -0.741 28.890 29.700 -0.116 0.000 0.746 347 E HN 0.353 nan 8.360 nan 0.000 0.450 348 T N 1.206 115.591 114.554 -0.282 0.000 2.708 348 T HA -0.114 4.237 4.350 0.000 0.000 0.266 348 T C 1.960 176.434 174.700 -0.377 0.000 1.037 348 T CA 1.552 63.475 62.100 -0.294 0.000 1.146 348 T CB -0.249 68.448 68.868 -0.286 0.000 0.865 348 T HN 0.272 nan 8.240 nan 0.000 0.435 349 A N 1.524 124.054 122.820 -0.483 0.000 2.019 349 A HA -0.072 4.248 4.320 0.000 0.000 0.219 349 A C 2.335 179.489 177.584 -0.716 0.000 1.164 349 A CA 1.908 53.652 52.037 -0.489 0.000 0.644 349 A CB -0.758 17.992 19.000 -0.417 0.000 0.805 349 A HN 0.610 nan 8.150 nan 0.000 0.449 350 T N -4.317 109.661 114.554 -0.959 0.000 3.129 350 T HA 0.568 4.918 4.350 0.000 0.000 0.267 350 T C 1.417 175.640 174.700 -0.796 0.000 1.018 350 T CA 0.740 61.921 62.100 -1.532 0.000 0.903 350 T CB 0.314 68.258 68.868 -1.540 0.000 1.067 350 T HN 0.438 nan 8.240 nan 0.000 0.549 351 A N 2.502 125.050 122.820 -0.455 0.000 1.948 351 A HA -0.059 4.261 4.320 0.000 0.000 0.220 351 A C 2.465 179.985 177.584 -0.106 0.000 1.177 351 A CA 1.915 53.815 52.037 -0.228 0.000 0.636 351 A CB -0.892 18.004 19.000 -0.173 0.000 0.815 351 A HN 0.796 nan 8.150 nan 0.000 0.449 352 S N -1.740 113.939 115.700 -0.034 0.000 2.577 352 S HA 0.360 4.831 4.470 0.000 0.000 0.219 352 S C -0.030 174.704 174.600 0.225 0.000 0.962 352 S CA -0.661 57.587 58.200 0.080 0.000 0.921 352 S CB -0.343 62.899 63.200 0.070 0.000 0.789 352 S HN 0.111 nan 8.310 nan 0.000 0.497 353 F N 3.196 123.097 119.950 -0.083 0.000 2.471 353 F HA 0.567 5.094 4.527 0.000 0.000 0.353 353 F C 1.452 177.222 175.800 -0.050 0.000 1.113 353 F CA -1.214 56.743 58.000 -0.072 0.000 1.262 353 F CB -0.057 38.887 39.000 -0.094 0.000 1.146 353 F HN 0.207 nan 8.300 nan 0.000 0.578 354 G N 1.398 110.251 108.800 0.089 0.000 2.432 354 G HA2 0.454 4.414 3.960 0.000 0.000 0.257 354 G HA3 0.454 4.414 3.960 0.000 0.000 0.257 354 G C -0.418 174.516 174.900 0.057 0.000 1.238 354 G CA -0.399 44.726 45.100 0.043 0.000 0.838 354 G HN 0.919 nan 8.290 nan 0.000 0.547 355 A N 2.256 125.105 122.820 0.048 0.000 2.483 355 A HA 0.438 4.758 4.320 0.000 0.000 0.238 355 A C 0.720 178.326 177.584 0.036 0.000 1.070 355 A CA -0.057 52.010 52.037 0.050 0.000 0.770 355 A CB 0.339 19.365 19.000 0.043 0.000 1.008 355 A HN 0.556 nan 8.150 nan 0.000 0.497 356 K N 1.431 121.858 120.400 0.045 0.000 2.107 356 K HA 0.260 4.580 4.320 0.000 0.000 0.251 356 K C -0.149 176.481 176.600 0.050 0.000 1.012 356 K CA -0.422 55.882 56.287 0.029 0.000 0.920 356 K CB 0.459 32.983 32.500 0.040 0.000 1.033 356 K HN 0.695 nan 8.250 nan 0.000 0.478 357 Q N 2.113 121.941 119.800 0.047 0.000 2.279 357 Q HA 0.133 4.473 4.340 0.000 0.000 0.256 357 Q C 0.180 176.332 176.000 0.252 0.000 0.937 357 Q CA -0.154 55.721 55.803 0.120 0.000 0.933 357 Q CB 1.052 29.861 28.738 0.119 0.000 1.189 357 Q HN 0.475 nan 8.270 nan 0.000 0.417 358 R N 1.992 122.632 120.500 0.233 0.000 2.459 358 R HA 0.321 4.661 4.340 0.000 0.000 0.281 358 R C 0.251 176.702 176.300 0.251 0.000 1.050 358 R CA -0.715 55.552 56.100 0.278 0.000 1.055 358 R CB 0.587 30.972 30.300 0.142 0.000 1.045 358 R HN 0.578 nan 8.270 nan 0.000 0.495 359 H N 0.164 119.279 119.070 0.076 0.000 2.707 359 H HA 0.095 4.651 4.556 0.000 0.000 0.359 359 H C -0.955 174.403 175.328 0.051 0.000 1.113 359 H CA -0.585 55.393 56.048 -0.117 0.000 1.422 359 H CB 0.724 30.291 29.762 -0.326 0.000 1.443 359 H HN 0.680 nan 8.280 nan 0.000 0.591 360 D N 2.366 122.756 120.400 -0.018 0.000 2.343 360 D HA 0.101 4.741 4.640 0.000 0.000 0.255 360 D C 0.968 177.198 176.300 -0.117 0.000 1.187 360 D CA -0.434 53.528 54.000 -0.064 0.000 0.875 360 D CB 0.053 40.846 40.800 -0.012 0.000 1.136 360 D HN 0.668 nan 8.370 nan 0.000 0.469 361 I N 0.283 120.704 120.570 -0.247 0.000 3.947 361 I HA 0.312 4.482 4.170 0.000 0.000 0.327 361 I C 1.017 177.014 176.117 -0.201 0.000 1.519 361 I CA -0.495 60.652 61.300 -0.255 0.000 1.122 361 I CB 0.530 38.239 38.000 -0.486 0.000 1.146 361 I HN 0.075 nan 8.210 nan 0.000 0.442 362 E N 2.505 122.618 120.200 -0.145 0.000 2.097 362 E HA -0.145 4.205 4.350 0.000 0.000 0.196 362 E C -0.414 176.140 176.600 -0.077 0.000 1.000 362 E CA 1.712 58.048 56.400 -0.108 0.000 0.804 362 E CB -1.576 28.084 29.700 -0.066 0.000 0.740 362 E HN 0.491 nan 8.360 nan 0.000 0.454 363 P HA -0.121 nan 4.420 nan 0.000 0.218 363 P C 1.669 178.883 177.300 -0.144 0.000 1.149 363 P CA 0.702 63.828 63.100 0.043 0.000 0.817 363 P CB -0.026 31.813 31.700 0.232 0.000 0.785 364 L N -0.226 120.911 121.223 -0.144 0.000 2.056 364 L HA -0.051 4.289 4.340 0.000 0.000 0.207 364 L C 2.263 178.927 176.870 -0.344 0.000 1.078 364 L CA 1.779 56.389 54.840 -0.383 0.000 0.749 364 L CB -0.890 41.093 42.059 -0.126 0.000 0.901 364 L HN -0.236 nan 8.230 nan 0.000 0.433 365 R N -0.430 119.931 120.500 -0.232 0.000 2.096 365 R HA -0.113 4.227 4.340 0.000 0.000 0.235 365 R C 2.248 178.465 176.300 -0.139 0.000 1.127 365 R CA 1.274 57.267 56.100 -0.178 0.000 0.968 365 R CB -0.623 29.580 30.300 -0.162 0.000 0.861 365 R HN 0.551 nan 8.270 nan 0.000 0.440 366 A N 1.066 123.800 122.820 -0.143 0.000 1.873 366 A HA -0.195 4.125 4.320 0.000 0.000 0.215 366 A C 2.119 179.633 177.584 -0.116 0.000 1.186 366 A CA 1.473 53.450 52.037 -0.100 0.000 0.616 366 A CB -0.382 18.575 19.000 -0.070 0.000 0.823 366 A HN 0.123 nan 8.150 nan 0.000 0.442 367 R N 0.183 120.527 120.500 -0.260 0.000 2.091 367 R HA -0.047 4.293 4.340 0.000 0.000 0.238 367 R C 1.757 178.024 176.300 -0.055 0.000 1.136 367 R CA 1.827 57.776 56.100 -0.252 0.000 0.959 367 R CB -0.740 29.105 30.300 -0.759 0.000 0.856 367 R HN 0.570 nan 8.270 nan 0.000 0.437 368 I N 0.042 120.548 120.570 -0.107 0.000 2.179 368 I HA -0.226 3.944 4.170 0.000 0.000 0.242 368 I C 2.254 178.465 176.117 0.156 0.000 1.088 368 I CA 1.366 62.713 61.300 0.078 0.000 1.357 368 I CB -0.392 37.604 38.000 -0.006 0.000 1.051 368 I HN 0.311 nan 8.210 nan 0.000 0.409 369 A N 0.030 122.885 122.820 0.059 0.000 1.972 369 A HA -0.256 4.064 4.320 0.000 0.000 0.219 369 A C 2.284 179.902 177.584 0.058 0.000 1.169 369 A CA 1.810 53.880 52.037 0.053 0.000 0.635 369 A CB -0.585 18.424 19.000 0.015 0.000 0.810 369 A HN 0.511 nan 8.150 nan 0.000 0.446 370 E N -1.111 119.128 120.200 0.064 0.000 2.031 370 E HA -0.190 4.160 4.350 0.000 0.000 0.193 370 E C 1.659 178.281 176.600 0.037 0.000 0.994 370 E CA 1.236 57.664 56.400 0.048 0.000 0.800 370 E CB -0.261 29.467 29.700 0.045 0.000 0.752 370 E HN 0.543 nan 8.360 nan 0.000 0.447 371 F N 0.981 120.850 119.950 -0.135 0.000 2.091 371 F HA -0.212 4.316 4.527 0.000 0.000 0.299 371 F C 2.274 177.952 175.800 -0.203 0.000 1.103 371 F CA 1.313 59.125 58.000 -0.314 0.000 1.228 371 F CB -0.380 38.352 39.000 -0.447 0.000 0.984 371 F HN 0.073 nan 8.300 nan 0.000 0.477 372 L N -0.916 120.315 121.223 0.014 0.000 2.083 372 L HA -0.206 4.135 4.340 0.000 0.000 0.209 372 L C 2.447 179.345 176.870 0.047 0.000 1.083 372 L CA 1.273 56.110 54.840 -0.006 0.000 0.752 372 L CB -0.832 41.239 42.059 0.020 0.000 0.899 372 L HN 0.126 nan 8.230 nan 0.000 0.433 373 A N -1.422 121.423 122.820 0.042 0.000 2.208 373 A HA -0.090 4.230 4.320 0.000 0.000 0.209 373 A C 0.650 178.256 177.584 0.036 0.000 1.161 373 A CA -0.103 51.955 52.037 0.034 0.000 0.782 373 A CB -0.476 18.538 19.000 0.022 0.000 0.816 373 A HN 0.323 nan 8.150 nan 0.000 0.477 374 D N 1.173 121.606 120.400 0.054 0.000 2.854 374 D HA -0.057 4.583 4.640 0.000 0.000 0.243 374 D C -1.431 174.906 176.300 0.062 0.000 1.243 374 D CA -0.621 53.419 54.000 0.067 0.000 0.883 374 D CB 0.806 41.714 40.800 0.180 0.000 1.145 374 D HN 0.244 nan 8.370 nan 0.000 0.555 375 P HA 0.040 nan 4.420 nan 0.000 0.261 375 P C 0.189 177.458 177.300 -0.051 0.000 1.268 375 P CA -0.048 63.046 63.100 -0.010 0.000 0.833 375 P CB 0.227 31.914 31.700 -0.021 0.000 1.231 376 E N 0.581 120.727 120.200 -0.091 0.000 2.373 376 E HA 0.131 4.481 4.350 0.000 0.000 0.267 376 E C -0.492 175.925 176.600 -0.305 0.000 1.032 376 E CA 0.077 56.305 56.400 -0.286 0.000 0.889 376 E CB 0.378 29.744 29.700 -0.556 0.000 0.984 376 E HN -0.083 nan 8.360 nan 0.000 0.425 377 T N 4.369 118.745 114.554 -0.297 0.000 2.733 377 T HA 0.237 4.587 4.350 0.000 0.000 0.294 377 T C -1.040 173.491 174.700 -0.281 0.000 0.956 377 T CA -0.216 61.777 62.100 -0.179 0.000 0.987 377 T CB 0.005 68.816 68.868 -0.095 0.000 0.920 377 T HN 0.260 nan 8.240 nan 0.000 0.470 378 Y N 1.332 121.608 120.300 -0.040 0.000 2.376 378 Y HA 0.269 4.819 4.550 0.000 0.000 0.325 378 Y C 1.760 177.636 175.900 -0.040 0.000 1.199 378 Y CA -0.866 57.211 58.100 -0.038 0.000 1.206 378 Y CB 0.927 39.360 38.460 -0.046 0.000 1.229 378 Y HN 0.675 nan 8.280 nan 0.000 0.480 379 E N 0.594 120.860 120.200 0.111 0.000 2.047 379 E HA -0.151 4.199 4.350 0.000 0.000 0.191 379 E C -0.183 176.440 176.600 0.038 0.000 0.987 379 E CA 1.350 57.779 56.400 0.048 0.000 0.799 379 E CB -0.004 29.715 29.700 0.031 0.000 0.752 379 E HN 0.632 nan 8.360 nan 0.000 0.449 380 D N 0.431 120.857 120.400 0.043 0.000 2.639 380 D HA 0.281 4.921 4.640 0.000 0.000 0.233 380 D C 0.597 176.872 176.300 -0.042 0.000 1.161 380 D CA 0.116 54.111 54.000 -0.008 0.000 1.003 380 D CB 0.117 40.902 40.800 -0.025 0.000 1.034 380 D HN 0.209 nan 8.370 nan 0.000 0.514 384 V N 2.526 122.175 119.914 -0.441 0.000 2.490 384 V HA -0.241 3.879 4.120 0.000 0.000 0.250 384 V C 2.329 178.316 176.094 -0.178 0.000 1.061 384 V CA 2.311 64.401 62.300 -0.350 0.000 1.064 384 V CB -0.799 30.699 31.823 -0.541 0.000 0.670 384 V HN 0.714 nan 8.190 nan 0.000 0.461 385 H N 0.428 119.517 119.070 0.031 0.000 2.421 385 H HA -0.172 4.384 4.556 0.000 0.000 0.298 385 H C 1.998 177.273 175.328 -0.088 0.000 1.087 385 H CA 1.640 57.663 56.048 -0.042 0.000 1.330 385 H CB -0.402 29.310 29.762 -0.085 0.000 1.388 385 H HN 0.501 nan 8.280 nan 0.000 0.526 386 Q N 0.849 120.482 119.800 -0.278 0.000 2.123 386 Q HA -0.028 4.312 4.340 0.000 0.000 0.199 386 Q C 2.795 178.753 176.000 -0.071 0.000 0.966 386 Q CA 1.267 56.997 55.803 -0.122 0.000 0.845 386 Q CB 0.156 28.804 28.738 -0.151 0.000 0.907 386 Q HN 0.258 nan 8.270 nan 0.000 0.439 387 V N 1.199 121.053 119.914 -0.100 0.000 2.295 387 V HA -0.271 3.849 4.120 0.000 0.000 0.246 387 V C 2.137 178.242 176.094 0.018 0.000 1.049 387 V CA 1.711 63.979 62.300 -0.053 0.000 1.024 387 V CB -0.447 31.326 31.823 -0.084 0.000 0.648 387 V HN 0.334 nan 8.190 nan 0.000 0.447 388 I N 0.281 120.885 120.570 0.057 0.000 2.315 388 I HA -0.224 3.946 4.170 0.000 0.000 0.248 388 I C 2.320 178.505 176.117 0.114 0.000 1.117 388 I CA 1.881 63.260 61.300 0.130 0.000 1.404 388 I CB -0.411 37.717 38.000 0.214 0.000 1.071 388 I HN 0.380 nan 8.210 nan 0.000 0.419 389 D N 0.600 121.040 120.400 0.067 0.000 2.123 389 D HA -0.114 4.526 4.640 0.000 0.000 0.196 389 D C 1.353 177.697 176.300 0.072 0.000 0.992 389 D CA 0.916 54.954 54.000 0.063 0.000 0.833 389 D CB 0.147 40.969 40.800 0.037 0.000 0.954 389 D HN 0.178 nan 8.370 nan 0.000 0.455 393 T N 2.521 117.139 114.554 0.107 0.000 2.652 393 T HA -0.011 4.339 4.350 0.000 0.000 0.267 393 T C 1.316 176.078 174.700 0.102 0.000 1.039 393 T CA 1.277 63.429 62.100 0.086 0.000 1.153 393 T CB -0.097 68.814 68.868 0.072 0.000 0.863 393 T HN -0.023 nan 8.240 nan 0.000 0.428 397 E N 0.863 121.078 120.200 0.025 0.000 2.047 397 E HA -0.060 4.290 4.350 0.000 0.000 0.191 397 E C 1.881 178.493 176.600 0.021 0.000 0.987 397 E CA 1.273 57.690 56.400 0.029 0.000 0.799 397 E CB 0.030 29.758 29.700 0.046 0.000 0.752 397 E HN 0.289 nan 8.360 nan 0.000 0.449 398 A N 1.193 124.026 122.820 0.021 0.000 1.970 398 A HA 0.224 4.545 4.320 0.000 0.000 0.216 398 A C 1.322 178.897 177.584 -0.016 0.000 1.170 398 A CA 0.752 52.799 52.037 0.017 0.000 0.645 398 A CB -0.040 18.991 19.000 0.052 0.000 0.816 398 A HN 0.224 nan 8.150 nan 0.000 0.447 399 A N 0.506 123.299 122.820 -0.045 0.000 2.304 399 A HA 0.541 4.861 4.320 0.000 0.000 0.301 399 A C -0.084 177.489 177.584 -0.019 0.000 1.132 399 A CA -0.617 51.393 52.037 -0.045 0.000 0.819 399 A CB 0.315 19.270 19.000 -0.076 0.000 1.094 399 A HN 0.316 nan 8.150 nan 0.000 0.492 400 E N 1.142 121.335 120.200 -0.010 0.000 2.408 400 E HA 0.184 4.534 4.350 0.000 0.000 0.259 400 E C -2.258 174.342 176.600 -0.001 0.000 1.110 400 E CA -1.452 54.947 56.400 -0.002 0.000 0.929 400 E CB -0.317 29.385 29.700 0.003 0.000 0.971 400 E HN 0.344 nan 8.360 nan 0.000 0.438 401 P HA 0.000 nan 4.420 nan 0.000 0.264 401 P C 0.554 177.860 177.300 0.010 0.000 1.183 401 P CA 0.967 64.072 63.100 0.008 0.000 0.763 401 P CB 0.323 32.030 31.700 0.011 0.000 0.807 402 G N 1.150 109.957 108.800 0.012 0.000 2.155 402 G HA2 -0.250 3.710 3.960 0.000 0.000 0.257 402 G HA3 -0.250 3.710 3.960 0.000 0.000 0.257 402 G C 0.009 174.917 174.900 0.013 0.000 0.983 402 G CA 0.062 45.171 45.100 0.015 0.000 0.676 402 G HN 0.576 nan 8.290 nan 0.000 0.528 403 E N -1.166 119.038 120.200 0.006 0.000 2.393 403 E HA 0.654 5.004 4.350 0.000 0.000 0.265 403 E C 0.419 177.009 176.600 -0.016 0.000 0.941 403 E CA -0.474 55.927 56.400 0.002 0.000 0.801 403 E CB 1.944 31.644 29.700 -0.000 0.000 1.313 403 E HN 1.520 nan 8.360 nan 0.000 0.435 404 G N 0.187 108.973 108.800 -0.023 0.000 2.692 404 G HA2 -0.091 3.869 3.960 0.000 0.000 0.686 404 G HA3 -0.091 3.869 3.960 0.000 0.000 0.686 404 G C -0.844 174.040 174.900 -0.027 0.000 1.243 404 G CA -0.641 44.421 45.100 -0.063 0.000 0.782 404 G HN 0.396 nan 8.290 nan 0.000 0.625 405 T N 1.208 115.738 114.554 -0.040 0.000 2.879 405 T HA 0.628 4.978 4.350 0.000 0.000 0.290 405 T C 0.246 174.966 174.700 0.033 0.000 0.993 405 T CA -0.461 61.652 62.100 0.022 0.000 0.975 405 T CB 1.428 70.317 68.868 0.035 0.000 0.981 405 T HN 0.668 nan 8.240 nan 0.000 0.439 406 I N 2.942 123.582 120.570 0.115 0.000 2.354 406 I HA 0.471 4.641 4.170 0.000 0.000 0.292 406 I C -0.357 175.827 176.117 0.112 0.000 0.989 406 I CA -1.005 60.417 61.300 0.202 0.000 1.188 406 I CB 1.525 39.727 38.000 0.338 0.000 1.342 406 I HN 0.269 nan 8.210 nan 0.000 0.457 407 V N 4.891 124.859 119.914 0.091 0.000 2.483 407 V HA 0.397 4.517 4.120 0.000 0.000 0.295 407 V C 0.025 176.156 176.094 0.061 0.000 1.035 407 V CA -0.445 61.845 62.300 -0.016 0.000 0.896 407 V CB 1.764 33.596 31.823 0.014 0.000 0.986 407 V HN 0.766 nan 8.190 nan 0.000 0.447 408 S N 2.722 118.408 115.700 -0.023 0.000 2.519 408 S HA 0.355 4.825 4.470 0.000 0.000 0.309 408 S C -0.432 174.323 174.600 0.259 0.000 1.100 408 S CA -0.672 57.642 58.200 0.190 0.000 1.059 408 S CB 1.247 64.564 63.200 0.196 0.000 1.008 408 S HN 0.892 nan 8.310 nan 0.000 0.478 409 D N 2.277 122.936 120.400 0.431 0.000 2.325 409 D HA 0.210 4.850 4.640 0.000 0.000 0.262 409 D C -0.062 176.427 176.300 0.316 0.000 1.263 409 D CA -0.093 54.191 54.000 0.474 0.000 1.020 409 D CB 0.463 41.574 40.800 0.519 0.000 1.117 409 D HN 0.432 nan 8.370 nan 0.000 0.545 410 I N -0.357 120.396 120.570 0.305 0.000 2.412 410 I HA 0.600 4.770 4.170 0.000 0.000 0.296 410 I C 1.017 177.200 176.117 0.111 0.000 0.987 410 I CA -0.284 61.041 61.300 0.043 0.000 1.180 410 I CB 0.469 38.533 38.000 0.107 0.000 1.340 410 I HN 0.589 nan 8.210 nan 0.000 0.455 411 G N 4.016 112.687 108.800 -0.215 0.000 2.327 411 G HA2 0.082 4.042 3.960 0.000 0.000 0.291 411 G HA3 0.082 4.042 3.960 0.000 0.000 0.291 411 G C -0.365 174.448 174.900 -0.145 0.000 1.290 411 G CA -0.614 44.505 45.100 0.032 0.000 0.857 411 G HN 0.318 nan 8.290 nan 0.000 0.520 412 F N 0.928 120.817 119.950 -0.102 0.000 2.134 412 F HA 0.052 4.579 4.527 0.000 0.000 0.299 412 F C 2.539 178.293 175.800 -0.077 0.000 1.097 412 F CA 2.289 60.172 58.000 -0.195 0.000 1.264 412 F CB -0.518 38.269 39.000 -0.355 0.000 1.001 412 F HN 0.433 nan 8.300 nan 0.000 0.479 413 F N 0.303 120.228 119.950 -0.042 0.000 2.250 413 F HA -0.087 4.440 4.527 0.000 0.000 0.301 413 F C 2.323 178.146 175.800 0.038 0.000 1.077 413 F CA 1.387 59.374 58.000 -0.021 0.000 1.348 413 F CB -1.250 37.795 39.000 0.075 0.000 1.040 413 F HN -0.097 nan 8.300 nan 0.000 0.509 414 R N 0.678 120.430 120.500 -1.247 0.000 2.096 414 R HA -0.180 4.160 4.340 0.000 0.000 0.235 414 R C 2.032 177.971 176.300 -0.601 0.000 1.127 414 R CA 1.975 57.512 56.100 -0.938 0.000 0.968 414 R CB -0.970 28.703 30.300 -1.046 0.000 0.861 414 R HN 0.476 nan 8.270 nan 0.000 0.440 415 H N -1.133 117.690 119.070 -0.412 0.000 2.495 415 H HA -0.090 4.466 4.556 0.000 0.000 0.287 415 H C 1.622 176.767 175.328 -0.305 0.000 1.033 415 H CA 1.035 56.843 56.048 -0.400 0.000 1.307 415 H CB -0.128 29.345 29.762 -0.482 0.000 1.401 415 H HN 0.258 nan 8.280 nan 0.000 0.555 416 Y N 0.755 120.954 120.300 -0.169 0.000 2.200 416 Y HA -0.095 4.455 4.550 0.000 0.000 0.290 416 Y C 2.852 178.788 175.900 0.059 0.000 1.137 416 Y CA 1.092 59.244 58.100 0.086 0.000 1.163 416 Y CB -0.609 38.000 38.460 0.248 0.000 0.988 416 Y HN 0.194 nan 8.280 nan 0.000 0.518 417 G N -0.465 108.416 108.800 0.135 0.000 2.421 417 G HA2 -0.229 3.731 3.960 0.000 0.000 0.216 417 G HA3 -0.229 3.731 3.960 0.000 0.000 0.216 417 G C 1.832 176.371 174.900 -0.601 0.000 1.171 417 G CA 1.404 46.492 45.100 -0.020 0.000 0.775 417 G HN 0.273 nan 8.290 nan 0.000 0.543 418 V N 0.901 120.499 119.914 -0.527 0.000 2.287 418 V HA -0.159 3.962 4.120 0.000 0.000 0.248 418 V C 2.916 178.712 176.094 -0.496 0.000 1.053 418 V CA 1.678 63.626 62.300 -0.586 0.000 1.027 418 V CB -0.424 31.114 31.823 -0.475 0.000 0.646 418 V HN 0.346 nan 8.190 nan 0.000 0.447 419 L N -1.874 119.032 121.223 -0.529 0.000 2.109 419 L HA -0.046 4.294 4.340 0.000 0.000 0.207 419 L C 2.086 178.521 176.870 -0.726 0.000 1.086 419 L CA 1.500 55.889 54.840 -0.751 0.000 0.760 419 L CB -0.274 41.032 42.059 -1.256 0.000 0.910 419 L HN 0.309 nan 8.230 nan 0.000 0.437 420 F N -0.785 119.064 119.950 -0.169 0.000 2.740 420 F HA 0.349 4.876 4.527 0.000 0.000 0.304 420 F C 1.327 177.075 175.800 -0.087 0.000 1.098 420 F CA -0.664 57.285 58.000 -0.084 0.000 1.258 420 F CB -0.334 38.681 39.000 0.025 0.000 1.061 420 F HN -0.211 nan 8.300 nan 0.000 0.598 421 A N 1.753 124.545 122.820 -0.047 0.000 2.440 421 A HA 0.290 4.610 4.320 0.000 0.000 0.251 421 A C 0.659 178.224 177.584 -0.031 0.000 1.089 421 A CA -0.404 51.611 52.037 -0.036 0.000 0.779 421 A CB 0.043 18.974 19.000 -0.115 0.000 1.022 421 A HN 0.322 nan 8.150 nan 0.000 0.492 422 R N 1.704 122.241 120.500 0.061 0.000 2.489 422 R HA 0.382 4.722 4.340 0.000 0.000 0.287 422 R C -0.392 175.957 176.300 0.081 0.000 1.053 422 R CA 0.681 56.816 56.100 0.059 0.000 1.036 422 R CB 0.220 30.558 30.300 0.062 0.000 0.966 422 R HN 0.836 nan 8.270 nan 0.000 0.432 423 A N 4.216 127.077 122.820 0.068 0.000 2.457 423 A HA 0.191 4.511 4.320 0.000 0.000 0.283 423 A C -0.816 176.804 177.584 0.060 0.000 1.166 423 A CA -0.725 51.370 52.037 0.096 0.000 0.740 423 A CB 1.426 20.506 19.000 0.134 0.000 1.181 423 A HN 0.846 nan 8.150 nan 0.000 0.446 424 D N 1.465 121.894 120.400 0.049 0.000 2.402 424 D HA 0.166 4.807 4.640 0.000 0.000 0.216 424 D C 0.431 176.747 176.300 0.027 0.000 1.128 424 D CA 0.715 54.736 54.000 0.034 0.000 0.833 424 D CB 0.231 41.047 40.800 0.026 0.000 0.971 424 D HN 0.753 nan 8.370 nan 0.000 0.503 425 Q N -1.626 118.192 119.800 0.029 0.000 2.522 425 Q HA 0.505 4.845 4.340 0.000 0.000 0.285 425 Q C -3.029 172.963 176.000 -0.012 0.000 0.982 425 Q CA -2.138 53.670 55.803 0.009 0.000 0.805 425 Q CB 1.345 30.097 28.738 0.022 0.000 1.457 425 Q HN -0.264 nan 8.270 nan 0.000 0.394 426 P HA 0.018 nan 4.420 nan 0.000 0.262 426 P C -0.906 176.291 177.300 -0.173 0.000 1.182 426 P CA 0.487 63.429 63.100 -0.263 0.000 0.761 426 P CB -0.071 31.388 31.700 -0.401 0.000 0.795 427 F N 1.042 121.030 119.950 0.064 0.000 3.057 427 F HA -0.180 4.347 4.527 0.000 0.000 0.287 427 F C 1.601 177.438 175.800 0.062 0.000 0.834 427 F CA 1.129 59.164 58.000 0.059 0.000 1.147 427 F CB -2.599 36.422 39.000 0.034 0.000 1.245 427 F HN 0.480 nan 8.300 nan 0.000 0.509 428 G N -1.282 107.643 108.800 0.210 0.000 2.623 428 G HA2 0.110 4.070 3.960 0.000 0.000 0.214 428 G HA3 0.110 4.070 3.960 0.000 0.000 0.214 428 G C 0.109 175.151 174.900 0.238 0.000 1.138 428 G CA 0.532 45.735 45.100 0.171 0.000 0.794 428 G HN 0.340 nan 8.290 nan 0.000 0.535 429 F N 1.144 121.167 119.950 0.121 0.000 2.477 429 F HA 0.670 5.197 4.527 0.000 0.000 0.335 429 F C -0.974 174.922 175.800 0.161 0.000 1.130 429 F CA -1.592 56.480 58.000 0.121 0.000 0.948 429 F CB 1.289 40.347 39.000 0.097 0.000 1.154 429 F HN -0.244 nan 8.300 nan 0.000 0.439 430 L N 6.132 127.068 121.223 -0.478 0.000 2.322 430 L HA 0.687 5.027 4.340 0.000 0.000 0.281 430 L C -0.085 176.496 176.870 -0.482 0.000 1.014 430 L CA -0.488 54.167 54.840 -0.309 0.000 0.815 430 L CB 2.011 44.018 42.059 -0.087 0.000 1.247 430 L HN 0.708 nan 8.230 nan 0.000 0.421 431 T N 0.404 114.799 114.554 -0.265 0.000 2.762 431 T HA 0.269 4.619 4.350 0.000 0.000 0.301 431 T C -1.224 173.281 174.700 -0.325 0.000 1.299 431 T CA -0.375 61.601 62.100 -0.207 0.000 1.005 431 T CB 2.086 70.795 68.868 -0.265 0.000 1.377 431 T HN 0.418 nan 8.240 nan 0.000 0.504 432 S N 1.146 116.395 115.700 -0.752 0.000 2.404 432 S HA 0.590 5.060 4.470 0.000 0.000 0.309 432 S C 0.971 175.431 174.600 -0.235 0.000 1.076 432 S CA 0.006 57.779 58.200 -0.713 0.000 1.095 432 S CB 0.122 62.637 63.200 -1.142 0.000 0.972 432 S HN 0.788 nan 8.310 nan 0.000 0.484 433 A N 4.455 127.220 122.820 -0.092 0.000 1.984 433 A HA 0.326 4.646 4.320 0.000 0.000 0.214 433 A C 1.882 179.412 177.584 -0.090 0.000 1.173 433 A CA 0.931 52.960 52.037 -0.014 0.000 0.673 433 A CB -0.790 18.156 19.000 -0.091 0.000 0.830 433 A HN 0.833 nan 8.150 nan 0.000 0.453 434 G N -1.442 107.296 108.800 -0.103 0.000 2.437 434 G HA2 -0.102 3.858 3.960 0.000 0.000 0.212 434 G HA3 -0.102 3.858 3.960 0.000 0.000 0.212 434 G C 1.661 176.516 174.900 -0.075 0.000 1.174 434 G CA 1.144 46.186 45.100 -0.097 0.000 0.811 434 G HN 0.504 nan 8.290 nan 0.000 0.537 435 C N 0.043 119.303 119.300 -0.068 0.000 2.541 435 C HA 0.362 4.822 4.460 0.000 0.000 0.284 435 C C 1.738 176.704 174.990 -0.041 0.000 1.341 435 C CA 1.221 60.216 59.018 -0.037 0.000 1.732 435 C CB -0.552 27.192 27.740 0.007 0.000 2.126 435 C HN 0.482 nan 8.230 nan 0.000 0.505 436 S N 1.354 117.006 115.700 -0.081 0.000 3.631 436 S HA -0.166 4.304 4.470 0.000 0.000 0.366 436 S C 0.084 174.686 174.600 0.002 0.000 0.993 436 S CA 0.686 58.845 58.200 -0.069 0.000 1.167 436 S CB -1.792 61.393 63.200 -0.025 0.000 0.909 436 S HN 0.876 nan 8.310 nan 0.000 0.478 437 S N 2.141 117.890 115.700 0.081 0.000 2.528 437 S HA 0.516 4.986 4.470 0.000 0.000 0.277 437 S C 0.637 175.423 174.600 0.310 0.000 1.297 437 S CA -0.798 57.489 58.200 0.146 0.000 1.052 437 S CB -0.021 63.308 63.200 0.215 0.000 0.917 437 S HN 0.547 nan 8.310 nan 0.000 0.492 438 F N 3.630 123.610 119.950 0.051 0.000 2.545 438 F HA 0.504 5.031 4.527 0.000 0.000 0.348 438 F C 1.287 177.142 175.800 0.091 0.000 1.163 438 F CA -0.811 57.251 58.000 0.103 0.000 1.331 438 F CB -1.204 37.857 39.000 0.102 0.000 1.138 438 F HN 0.861 nan 8.300 nan 0.000 0.602 439 G N 1.964 110.904 108.800 0.234 0.000 2.176 439 G HA2 -0.405 3.555 3.960 0.000 0.000 0.253 439 G HA3 -0.405 3.555 3.960 0.000 0.000 0.253 439 G C 0.701 175.864 174.900 0.438 0.000 0.979 439 G CA 0.424 45.618 45.100 0.157 0.000 0.641 439 G HN 1.056 nan 8.290 nan 0.000 0.530 440 Y N 1.595 122.116 120.300 0.367 0.000 2.256 440 Y HA 0.069 4.619 4.550 0.000 0.000 0.288 440 Y C 2.517 178.471 175.900 0.090 0.000 1.155 440 Y CA 2.545 60.792 58.100 0.245 0.000 1.203 440 Y CB -0.484 38.096 38.460 0.199 0.000 0.980 440 Y HN 0.242 nan 8.280 nan 0.000 0.530 441 G N 0.808 109.714 108.800 0.176 0.000 2.480 441 G HA2 -0.295 3.665 3.960 0.000 0.000 0.216 441 G HA3 -0.295 3.665 3.960 0.000 0.000 0.216 441 G C 1.754 176.627 174.900 -0.045 0.000 1.200 441 G CA 1.488 46.640 45.100 0.088 0.000 0.782 441 G HN 0.487 nan 8.290 nan 0.000 0.554 442 I N 1.932 122.494 120.570 -0.014 0.000 2.099 442 I HA -0.135 4.035 4.170 0.000 0.000 0.239 442 I C 0.126 176.155 176.117 -0.148 0.000 1.066 442 I CA 1.441 62.715 61.300 -0.044 0.000 1.324 442 I CB -0.936 37.031 38.000 -0.056 0.000 1.037 442 I HN 0.206 nan 8.210 nan 0.000 0.401 443 P HA -0.161 nan 4.420 nan 0.000 0.217 443 P C 1.357 178.407 177.300 -0.418 0.000 1.150 443 P CA 1.960 64.851 63.100 -0.348 0.000 0.832 443 P CB -0.061 31.349 31.700 -0.484 0.000 0.787 444 A N 0.438 122.926 122.820 -0.552 0.000 1.930 444 A HA -0.009 4.311 4.320 0.000 0.000 0.217 444 A C 2.460 179.876 177.584 -0.280 0.000 1.175 444 A CA 1.973 53.678 52.037 -0.553 0.000 0.627 444 A CB -1.450 17.013 19.000 -0.895 0.000 0.815 444 A HN 0.226 nan 8.150 nan 0.000 0.443 445 A N -0.111 122.597 122.820 -0.187 0.000 1.930 445 A HA -0.013 4.307 4.320 0.000 0.000 0.217 445 A C 2.090 179.635 177.584 -0.064 0.000 1.175 445 A CA 1.333 53.325 52.037 -0.074 0.000 0.627 445 A CB -0.539 18.456 19.000 -0.008 0.000 0.815 445 A HN 0.478 nan 8.150 nan 0.000 0.443 446 I N -0.246 120.268 120.570 -0.094 0.000 2.127 446 I HA -0.235 3.935 4.170 0.000 0.000 0.241 446 I C 2.753 178.824 176.117 -0.076 0.000 1.075 446 I CA 1.311 62.572 61.300 -0.064 0.000 1.334 446 I CB -0.657 37.300 38.000 -0.072 0.000 1.040 446 I HN 0.395 nan 8.210 nan 0.000 0.405 447 G N 0.280 108.972 108.800 -0.180 0.000 2.446 447 G HA2 -0.272 3.688 3.960 0.000 0.000 0.217 447 G HA3 -0.272 3.688 3.960 0.000 0.000 0.217 447 G C 1.831 176.672 174.900 -0.100 0.000 1.168 447 G CA 0.914 45.900 45.100 -0.189 0.000 0.771 447 G HN 0.512 nan 8.290 nan 0.000 0.551 448 A N -0.074 122.689 122.820 -0.096 0.000 1.877 448 A HA 0.077 4.397 4.320 0.000 0.000 0.216 448 A C 1.766 179.344 177.584 -0.009 0.000 1.186 448 A CA 1.826 53.834 52.037 -0.048 0.000 0.620 448 A CB -0.430 18.546 19.000 -0.040 0.000 0.822 448 A HN 0.462 nan 8.150 nan 0.000 0.443 452 R N 0.866 121.382 120.500 0.026 0.000 2.748 452 R HA 0.291 4.631 4.340 0.000 0.000 0.283 452 R C -2.196 174.120 176.300 0.026 0.000 1.507 452 R CA -1.435 54.681 56.100 0.028 0.000 1.666 452 R CB 1.218 31.535 30.300 0.029 0.000 1.237 452 R HN 0.277 nan 8.270 nan 0.000 0.633 453 P HA -0.139 nan 4.420 nan 0.000 0.222 453 P C -0.133 177.182 177.300 0.025 0.000 1.147 453 P CA 1.206 64.321 63.100 0.026 0.000 0.790 453 P CB 0.386 32.099 31.700 0.023 0.000 0.780 454 D N -0.707 119.706 120.400 0.022 0.000 2.463 454 D HA 0.124 4.764 4.640 0.000 0.000 0.224 454 D C 0.520 176.830 176.300 0.017 0.000 1.174 454 D CA 0.184 54.196 54.000 0.020 0.000 0.829 454 D CB 0.529 41.339 40.800 0.017 0.000 0.993 454 D HN 0.357 nan 8.370 nan 0.000 0.497 455 Q N 0.840 120.650 119.800 0.017 0.000 2.345 455 Q HA 0.417 4.757 4.340 0.000 0.000 0.268 455 Q C -2.616 173.386 176.000 0.004 0.000 1.054 455 Q CA -2.011 53.794 55.803 0.004 0.000 0.835 455 Q CB 2.381 31.121 28.738 0.003 0.000 1.339 455 Q HN -0.126 nan 8.270 nan 0.000 0.447 456 P HA 0.072 nan 4.420 nan 0.000 0.271 456 P C -1.056 176.216 177.300 -0.048 0.000 1.216 456 P CA -0.035 63.048 63.100 -0.029 0.000 0.776 456 P CB 0.653 32.255 31.700 -0.162 0.000 0.881 457 T N 3.639 118.251 114.554 0.095 0.000 2.847 457 T HA 0.502 4.852 4.350 0.000 0.000 0.291 457 T C -0.767 174.174 174.700 0.401 0.000 0.998 457 T CA -0.172 62.010 62.100 0.137 0.000 0.967 457 T CB 0.053 68.983 68.868 0.103 0.000 0.954 457 T HN 0.041 nan 8.240 nan 0.000 0.441 458 F N 2.732 122.717 119.950 0.059 0.000 2.450 458 F HA 0.730 5.258 4.527 0.000 0.000 0.332 458 F C -0.133 175.703 175.800 0.060 0.000 1.093 458 F CA -2.111 55.926 58.000 0.062 0.000 1.003 458 F CB 1.572 40.618 39.000 0.077 0.000 1.151 458 F HN 0.306 nan 8.300 nan 0.000 0.474 459 L N 4.870 126.217 121.223 0.207 0.000 2.362 459 L HA 0.656 4.996 4.340 0.000 0.000 0.275 459 L C -1.306 175.609 176.870 0.076 0.000 0.998 459 L CA -0.519 54.400 54.840 0.132 0.000 0.820 459 L CB 1.565 43.679 42.059 0.092 0.000 1.270 459 L HN 0.580 nan 8.230 nan 0.000 0.415 460 I N 4.656 125.302 120.570 0.127 0.000 2.404 460 I HA 0.856 5.026 4.170 0.000 0.000 0.293 460 I C -0.856 175.284 176.117 0.038 0.000 0.992 460 I CA -0.266 61.062 61.300 0.048 0.000 1.149 460 I CB 1.472 39.565 38.000 0.154 0.000 1.315 460 I HN 0.890 nan 8.210 nan 0.000 0.446 461 A N 4.911 127.548 122.820 -0.304 0.000 2.539 461 A HA 0.814 5.134 4.320 0.000 0.000 0.296 461 A C -0.504 176.549 177.584 -0.884 0.000 1.073 461 A CA -0.415 51.383 52.037 -0.398 0.000 0.700 461 A CB 1.394 20.400 19.000 0.010 0.000 1.296 461 A HN 0.805 nan 8.150 nan 0.000 0.405 462 G N -0.200 108.054 108.800 -0.911 0.000 2.477 462 G HA2 0.434 4.394 3.960 0.000 0.000 0.304 462 G HA3 0.434 4.394 3.960 0.000 0.000 0.304 462 G C 0.470 175.248 174.900 -0.204 0.000 1.175 462 G CA 0.315 45.111 45.100 -0.506 0.000 0.907 462 G HN 0.810 nan 8.290 nan 0.000 0.509 463 D N 0.200 120.511 120.400 -0.149 0.000 2.117 463 D HA -0.124 4.516 4.640 0.000 0.000 0.197 463 D C 2.135 178.489 176.300 0.089 0.000 0.987 463 D CA 1.409 55.339 54.000 -0.118 0.000 0.829 463 D CB -0.727 40.138 40.800 0.107 0.000 0.961 463 D HN 0.471 nan 8.370 nan 0.000 0.460 464 G N 0.882 109.819 108.800 0.228 0.000 2.433 464 G HA2 -0.156 3.804 3.960 0.000 0.000 0.216 464 G HA3 -0.156 3.804 3.960 0.000 0.000 0.216 464 G C 1.791 176.749 174.900 0.098 0.000 1.186 464 G CA 1.208 46.478 45.100 0.284 0.000 0.779 464 G HN 0.479 nan 8.290 nan 0.000 0.543 465 G N 0.092 109.009 108.800 0.195 0.000 2.394 465 G HA2 -0.115 3.845 3.960 0.000 0.000 0.215 465 G HA3 -0.115 3.845 3.960 0.000 0.000 0.215 465 G C 1.644 176.497 174.900 -0.078 0.000 1.165 465 G CA 0.818 45.945 45.100 0.044 0.000 0.784 465 G HN 0.321 nan 8.290 nan 0.000 0.535 466 F N 1.026 120.909 119.950 -0.111 0.000 2.095 466 F HA -0.120 4.407 4.527 0.000 0.000 0.298 466 F C 2.458 178.223 175.800 -0.059 0.000 1.104 466 F CA 2.026 59.945 58.000 -0.136 0.000 1.232 466 F CB -0.278 38.541 39.000 -0.303 0.000 0.987 466 F HN 0.253 nan 8.300 nan 0.000 0.475 467 H N -0.130 118.887 119.070 -0.087 0.000 2.491 467 H HA -0.046 4.510 4.556 0.000 0.000 0.290 467 H C 2.475 177.612 175.328 -0.319 0.000 1.050 467 H CA 1.143 57.128 56.048 -0.105 0.000 1.309 467 H CB -0.485 29.311 29.762 0.058 0.000 1.392 467 H HN 0.354 nan 8.280 nan 0.000 0.554 468 S N -0.980 114.435 115.700 -0.475 0.000 2.440 468 S HA -0.151 4.319 4.470 0.000 0.000 0.238 468 S C 1.420 175.704 174.600 -0.526 0.000 1.010 468 S CA 1.519 59.307 58.200 -0.687 0.000 0.972 468 S CB -0.049 62.265 63.200 -1.477 0.000 0.774 468 S HN 0.445 nan 8.310 nan 0.000 0.501 469 N N -0.002 118.430 118.700 -0.448 0.000 2.471 469 N HA 0.197 4.937 4.740 0.000 0.000 0.270 469 N C 0.762 176.043 175.510 -0.383 0.000 1.490 469 N CA 0.567 53.417 53.050 -0.333 0.000 0.850 469 N CB 0.567 38.959 38.487 -0.158 0.000 1.411 469 N HN 0.356 nan 8.380 nan 0.000 0.488 470 S N -2.058 113.361 115.700 -0.469 0.000 2.489 470 S HA 0.009 4.479 4.470 0.000 0.000 0.228 470 S C 1.649 176.099 174.600 -0.250 0.000 0.995 470 S CA 0.581 58.443 58.200 -0.564 0.000 0.934 470 S CB -0.081 62.917 63.200 -0.336 0.000 0.771 470 S HN 0.129 nan 8.310 nan 0.000 0.522 471 S N 2.189 117.787 115.700 -0.170 0.000 2.419 471 S HA -0.070 4.400 4.470 0.000 0.000 0.233 471 S C 1.217 175.791 174.600 -0.044 0.000 1.016 471 S CA 1.019 59.174 58.200 -0.075 0.000 0.974 471 S CB -0.423 62.745 63.200 -0.053 0.000 0.786 471 S HN 0.560 nan 8.310 nan 0.000 0.492 472 D N 1.189 121.550 120.400 -0.065 0.000 2.378 472 D HA 0.068 4.708 4.640 0.000 0.000 0.227 472 D C 1.479 177.768 176.300 -0.018 0.000 1.012 472 D CA 0.140 54.122 54.000 -0.030 0.000 0.905 472 D CB -0.061 40.721 40.800 -0.030 0.000 0.895 472 D HN 0.361 nan 8.370 nan 0.000 0.532 473 L N 0.749 121.961 121.223 -0.017 0.000 2.081 473 L HA -0.186 4.154 4.340 0.000 0.000 0.212 473 L C 2.557 179.451 176.870 0.039 0.000 1.080 473 L CA 1.105 55.970 54.840 0.042 0.000 0.754 473 L CB -0.240 41.870 42.059 0.086 0.000 0.893 473 L HN 0.004 nan 8.230 nan 0.000 0.433 474 E N -0.144 120.072 120.200 0.027 0.000 2.110 474 E HA -0.199 4.151 4.350 0.000 0.000 0.193 474 E C 1.967 178.585 176.600 0.030 0.000 0.988 474 E CA 1.918 58.336 56.400 0.029 0.000 0.804 474 E CB 0.027 29.742 29.700 0.025 0.000 0.745 474 E HN 0.456 nan 8.360 nan 0.000 0.458 475 T N 1.521 116.091 114.554 0.027 0.000 2.746 475 T HA -0.084 4.266 4.350 0.000 0.000 0.267 475 T C 2.107 176.825 174.700 0.031 0.000 1.039 475 T CA 1.253 63.370 62.100 0.029 0.000 1.142 475 T CB -0.196 68.688 68.868 0.027 0.000 0.866 475 T HN 0.172 nan 8.240 nan 0.000 0.444 476 I N 1.430 122.020 120.570 0.033 0.000 2.163 476 I HA -0.247 3.923 4.170 0.000 0.000 0.243 476 I C 2.932 179.075 176.117 0.043 0.000 1.085 476 I CA 1.310 62.635 61.300 0.040 0.000 1.347 476 I CB -0.491 37.539 38.000 0.051 0.000 1.044 476 I HN 0.215 nan 8.210 nan 0.000 0.408 477 A N 0.628 123.474 122.820 0.043 0.000 1.902 477 A HA -0.255 4.065 4.320 0.000 0.000 0.217 477 A C 2.420 180.025 177.584 0.035 0.000 1.181 477 A CA 1.917 53.979 52.037 0.042 0.000 0.623 477 A CB -0.645 18.379 19.000 0.040 0.000 0.818 477 A HN 0.382 nan 8.150 nan 0.000 0.443 478 R N -0.263 120.255 120.500 0.031 0.000 2.075 478 R HA 0.003 4.343 4.340 0.000 0.000 0.232 478 R C 1.572 177.885 176.300 0.022 0.000 1.126 478 R CA 1.468 57.583 56.100 0.025 0.000 0.963 478 R CB -0.357 29.957 30.300 0.025 0.000 0.858 478 R HN 0.497 nan 8.270 nan 0.000 0.435 479 L N 0.770 122.007 121.223 0.024 0.000 2.554 479 L HA 0.049 4.389 4.340 0.000 0.000 0.226 479 L C 0.398 177.283 176.870 0.025 0.000 1.137 479 L CA 0.049 54.901 54.840 0.020 0.000 0.863 479 L CB -0.528 41.544 42.059 0.023 0.000 0.985 479 L HN 0.336 nan 8.230 nan 0.000 0.451 480 N N 1.207 119.925 118.700 0.031 0.000 2.705 480 N HA -0.216 4.524 4.740 0.000 0.000 0.255 480 N C -0.602 174.931 175.510 0.040 0.000 1.008 480 N CA 0.435 53.507 53.050 0.036 0.000 0.742 480 N CB -1.116 37.389 38.487 0.030 0.000 0.906 480 N HN 0.287 nan 8.380 nan 0.000 0.541 481 L N 0.766 122.016 121.223 0.045 0.000 2.281 481 L HA 0.354 4.694 4.340 0.000 0.000 0.285 481 L C -1.358 175.550 176.870 0.064 0.000 1.074 481 L CA -1.716 53.153 54.840 0.050 0.000 0.817 481 L CB 1.024 43.111 42.059 0.046 0.000 1.168 481 L HN 0.099 nan 8.230 nan 0.000 0.434 482 P HA 0.112 nan 4.420 nan 0.000 0.228 482 P C -0.067 177.301 177.300 0.114 0.000 1.748 482 P CA 0.057 63.208 63.100 0.085 0.000 0.909 482 P CB -0.344 31.401 31.700 0.074 0.000 1.882 483 I N 0.288 120.923 120.570 0.109 0.000 2.496 483 I HA 0.070 4.241 4.170 0.000 0.000 0.285 483 I C 0.610 176.801 176.117 0.123 0.000 1.080 483 I CA -0.511 60.866 61.300 0.128 0.000 1.404 483 I CB 1.185 39.244 38.000 0.097 0.000 1.403 483 I HN -0.147 nan 8.210 nan 0.000 0.539 484 V N 5.631 125.622 119.914 0.128 0.000 2.350 484 V HA 0.278 4.398 4.120 0.000 0.000 0.276 484 V C 0.170 176.220 176.094 -0.073 0.000 1.028 484 V CA -0.397 61.898 62.300 -0.009 0.000 0.860 484 V CB 1.073 32.735 31.823 -0.267 0.000 0.990 484 V HN 0.729 nan 8.190 nan 0.000 0.453 485 T N 4.711 119.208 114.554 -0.095 0.000 2.794 485 T HA 0.554 4.904 4.350 0.000 0.000 0.280 485 T C -0.277 174.268 174.700 -0.259 0.000 0.987 485 T CA -0.363 61.648 62.100 -0.149 0.000 0.993 485 T CB 1.675 70.457 68.868 -0.143 0.000 0.939 485 T HN 0.334 nan 8.240 nan 0.000 0.449 486 V N 4.163 123.920 119.914 -0.262 0.000 2.357 486 V HA 0.371 4.491 4.120 0.000 0.000 0.284 486 V C -0.127 175.711 176.094 -0.427 0.000 1.018 486 V CA -0.773 61.346 62.300 -0.300 0.000 0.841 486 V CB 1.601 33.302 31.823 -0.204 0.000 0.991 486 V HN 0.707 nan 8.190 nan 0.000 0.437 487 V N 6.137 125.723 119.914 -0.546 0.000 2.333 487 V HA 0.293 4.413 4.120 0.000 0.000 0.274 487 V C 0.131 175.922 176.094 -0.506 0.000 1.028 487 V CA -0.625 61.252 62.300 -0.705 0.000 0.851 487 V CB 1.658 32.830 31.823 -1.085 0.000 1.000 487 V HN 0.731 nan 8.190 nan 0.000 0.456 488 V N 2.408 122.036 119.914 -0.476 0.000 2.368 488 V HA 0.553 4.673 4.120 0.000 0.000 0.266 488 V C -0.028 175.895 176.094 -0.287 0.000 1.045 488 V CA -0.368 61.726 62.300 -0.344 0.000 0.899 488 V CB 1.029 32.674 31.823 -0.296 0.000 1.006 488 V HN 0.751 nan 8.190 nan 0.000 0.470 489 N N 4.840 123.416 118.700 -0.207 0.000 2.417 489 N HA 0.406 5.146 4.740 0.000 0.000 0.274 489 N C 0.151 175.622 175.510 -0.065 0.000 0.987 489 N CA -0.459 52.536 53.050 -0.092 0.000 0.912 489 N CB 1.556 40.044 38.487 0.002 0.000 1.177 489 N HN 0.896 nan 8.380 nan 0.000 0.490 490 N N 2.197 120.897 118.700 -0.001 0.000 2.241 490 N HA 0.069 4.809 4.740 0.000 0.000 0.238 490 N C -1.077 174.490 175.510 0.095 0.000 1.244 490 N CA -0.186 52.855 53.050 -0.016 0.000 0.880 490 N CB 0.034 38.439 38.487 -0.136 0.000 1.179 490 N HN 0.465 nan 8.380 nan 0.000 0.513 491 D N 0.056 120.568 120.400 0.186 0.000 2.751 491 D HA -0.136 4.504 4.640 0.000 0.000 0.233 491 D C -0.940 175.552 176.300 0.319 0.000 1.149 491 D CA 1.213 55.385 54.000 0.287 0.000 0.682 491 D CB -1.729 39.170 40.800 0.165 0.000 1.068 491 D HN 0.455 nan 8.370 nan 0.000 0.429 492 T N 0.128 114.901 114.554 0.366 0.000 2.942 492 T HA 0.194 4.544 4.350 0.000 0.000 0.327 492 T C -0.116 174.779 174.700 0.324 0.000 1.360 492 T CA -0.843 61.351 62.100 0.158 0.000 1.055 492 T CB 1.464 70.422 68.868 0.150 0.000 1.261 492 T HN -0.152 nan 8.240 nan 0.000 0.485 493 N N 1.885 120.676 118.700 0.150 0.000 2.671 493 N HA 0.181 4.921 4.740 0.000 0.000 0.274 493 N C 1.470 177.126 175.510 0.243 0.000 1.188 493 N CA 0.010 53.232 53.050 0.285 0.000 1.065 493 N CB 0.655 39.271 38.487 0.214 0.000 1.415 493 N HN 0.891 nan 8.380 nan 0.000 0.511 494 G N 1.136 110.146 108.800 0.351 0.000 2.418 494 G HA2 -0.241 3.719 3.960 0.000 0.000 0.217 494 G HA3 -0.241 3.719 3.960 0.000 0.000 0.217 494 G C 1.489 176.475 174.900 0.142 0.000 1.158 494 G CA 0.269 45.601 45.100 0.386 0.000 0.771 494 G HN 0.472 nan 8.290 nan 0.000 0.545 495 L N 0.784 122.069 121.223 0.103 0.000 2.081 495 L HA -0.087 4.253 4.340 0.000 0.000 0.212 495 L C 2.449 179.319 176.870 0.001 0.000 1.080 495 L CA 1.442 56.261 54.840 -0.034 0.000 0.754 495 L CB -0.245 41.899 42.059 0.141 0.000 0.893 495 L HN 0.132 nan 8.230 nan 0.000 0.433 496 I N -0.694 119.937 120.570 0.102 0.000 2.406 496 I HA -0.184 3.986 4.170 0.000 0.000 0.249 496 I C 2.465 178.617 176.117 0.058 0.000 1.122 496 I CA 1.093 62.465 61.300 0.120 0.000 1.431 496 I CB -1.429 36.625 38.000 0.089 0.000 1.087 496 I HN 0.466 nan 8.210 nan 0.000 0.424 497 E N 1.059 121.284 120.200 0.042 0.000 2.110 497 E HA -0.252 4.098 4.350 0.000 0.000 0.193 497 E C 2.272 178.809 176.600 -0.105 0.000 0.988 497 E CA 1.000 57.439 56.400 0.065 0.000 0.804 497 E CB -0.014 29.821 29.700 0.225 0.000 0.745 497 E HN 0.266 nan 8.360 nan 0.000 0.458 498 L N 0.247 121.152 121.223 -0.529 0.000 2.012 498 L HA -0.208 4.132 4.340 0.000 0.000 0.210 498 L C 1.948 178.453 176.870 -0.608 0.000 1.073 498 L CA 1.840 56.045 54.840 -1.059 0.000 0.748 498 L CB -0.819 40.205 42.059 -1.724 0.000 0.891 498 L HN 0.218 nan 8.230 nan 0.000 0.431 499 Y N 0.070 120.169 120.300 -0.336 0.000 2.224 499 Y HA -0.260 4.290 4.550 0.000 0.000 0.289 499 Y C 2.730 178.569 175.900 -0.101 0.000 1.146 499 Y CA 1.819 59.798 58.100 -0.200 0.000 1.182 499 Y CB -0.554 37.826 38.460 -0.133 0.000 0.983 499 Y HN 0.371 nan 8.280 nan 0.000 0.524 500 Q N -0.155 119.705 119.800 0.100 0.000 2.077 500 Q HA -0.233 4.107 4.340 0.000 0.000 0.206 500 Q C 1.982 178.053 176.000 0.118 0.000 0.989 500 Q CA 1.575 57.472 55.803 0.156 0.000 0.853 500 Q CB -0.293 28.503 28.738 0.096 0.000 0.907 500 Q HN 0.556 nan 8.270 nan 0.000 0.418 501 N N 0.430 119.135 118.700 0.007 0.000 2.142 501 N HA -0.097 4.643 4.740 0.000 0.000 0.186 501 N C 1.928 177.361 175.510 -0.128 0.000 1.023 501 N CA 0.947 53.990 53.050 -0.011 0.000 0.852 501 N CB -0.087 38.420 38.487 0.033 0.000 0.998 501 N HN 0.245 nan 8.380 nan 0.000 0.424 502 I N 0.820 121.282 120.570 -0.179 0.000 2.163 502 I HA -0.201 3.969 4.170 0.000 0.000 0.243 502 I C 2.464 178.396 176.117 -0.307 0.000 1.085 502 I CA 1.483 62.660 61.300 -0.205 0.000 1.347 502 I CB -0.512 37.366 38.000 -0.204 0.000 1.044 502 I HN 0.155 nan 8.210 nan 0.000 0.408 503 G N -1.066 107.571 108.800 -0.271 0.000 2.430 503 G HA2 -0.112 3.849 3.960 0.000 0.000 0.216 503 G HA3 -0.112 3.849 3.960 0.000 0.000 0.216 503 G C 1.355 175.830 174.900 -0.710 0.000 1.146 503 G CA 0.402 45.217 45.100 -0.475 0.000 0.793 503 G HN 0.448 nan 8.290 nan 0.000 0.537 504 H N -1.488 117.422 119.070 -0.267 0.000 3.360 504 H HA 0.136 4.692 4.556 0.000 0.000 0.262 504 H C 0.364 175.639 175.328 -0.089 0.000 1.149 504 H CA 0.175 56.131 56.048 -0.154 0.000 1.181 504 H CB 0.668 30.398 29.762 -0.054 0.000 1.564 504 H HN 0.395 nan 8.280 nan 0.000 0.565 505 H N 0.599 119.736 119.070 0.112 0.000 2.958 505 H HA -0.152 4.404 4.556 0.000 0.000 0.274 505 H C 0.355 175.741 175.328 0.096 0.000 1.184 505 H CA 1.308 57.407 56.048 0.085 0.000 1.143 505 H CB -1.333 28.465 29.762 0.060 0.000 1.297 505 H HN 0.584 nan 8.280 nan 0.000 0.356 506 R N -1.559 119.042 120.500 0.168 0.000 2.728 506 R HA 0.688 5.028 4.340 0.000 0.000 0.274 506 R C -1.094 175.274 176.300 0.113 0.000 1.030 506 R CA -0.801 55.380 56.100 0.134 0.000 0.876 506 R CB 1.159 31.529 30.300 0.116 0.000 1.259 506 R HN -0.032 nan 8.270 nan 0.000 0.468 507 S N -0.213 115.550 115.700 0.104 0.000 2.687 507 S HA 0.351 4.821 4.470 0.000 0.000 0.283 507 S C -1.054 173.617 174.600 0.119 0.000 1.170 507 S CA -0.543 57.716 58.200 0.098 0.000 1.008 507 S CB 0.800 64.052 63.200 0.088 0.000 1.026 507 S HN 0.643 nan 8.310 nan 0.000 0.541 508 H N 0.609 119.665 119.070 -0.023 0.000 3.036 508 H HA 0.348 4.904 4.556 0.000 0.000 0.295 508 H C -0.202 175.105 175.328 -0.036 0.000 1.124 508 H CA -0.616 55.408 56.048 -0.040 0.000 1.507 508 H CB 0.242 29.958 29.762 -0.077 0.000 1.591 508 H HN 0.444 nan 8.280 nan 0.000 0.510 509 D N 4.659 124.885 120.400 -0.291 0.000 2.149 509 D HA -0.115 4.525 4.640 0.000 0.000 0.198 509 D C -0.789 175.331 176.300 -0.301 0.000 0.990 509 D CA 0.923 54.780 54.000 -0.239 0.000 0.839 509 D CB -0.844 39.859 40.800 -0.160 0.000 0.948 509 D HN 0.541 nan 8.370 nan 0.000 0.460 510 P HA -0.058 nan 4.420 nan 0.000 0.221 510 P C 0.762 177.962 177.300 -0.166 0.000 1.145 510 P CA 1.399 64.328 63.100 -0.285 0.000 0.795 510 P CB 0.038 31.559 31.700 -0.299 0.000 0.775 511 A N -1.251 121.480 122.820 -0.147 0.000 2.238 511 A HA 0.139 4.459 4.320 0.000 0.000 0.210 511 A C 1.652 179.186 177.584 -0.084 0.000 1.179 511 A CA 1.033 53.044 52.037 -0.042 0.000 0.827 511 A CB -0.483 18.549 19.000 0.053 0.000 0.856 511 A HN 0.198 nan 8.150 nan 0.000 0.488 512 V N -5.851 113.966 119.914 -0.162 0.000 3.359 512 V HA 0.350 4.470 4.120 0.000 0.000 0.270 512 V C -0.085 175.735 176.094 -0.457 0.000 1.583 512 V CA -0.314 61.855 62.300 -0.218 0.000 1.019 512 V CB -0.087 31.689 31.823 -0.078 0.000 0.831 512 V HN 0.062 nan 8.190 nan 0.000 0.426 513 K N 1.525 121.681 120.400 -0.405 0.000 2.156 513 K HA 0.647 4.967 4.320 0.000 0.000 0.271 513 K C -1.271 175.068 176.600 -0.435 0.000 0.995 513 K CA -0.268 55.791 56.287 -0.380 0.000 0.890 513 K CB 1.825 34.227 32.500 -0.163 0.000 1.073 513 K HN 0.295 nan 8.250 nan 0.000 0.454 514 F N -0.542 119.444 119.950 0.060 0.000 2.557 514 F HA 0.488 5.015 4.527 0.000 0.000 0.336 514 F C 1.386 177.203 175.800 0.028 0.000 1.058 514 F CA -0.787 57.246 58.000 0.055 0.000 0.988 514 F CB 0.687 39.738 39.000 0.085 0.000 1.275 514 F HN 0.555 nan 8.300 nan 0.000 0.488 515 G N -0.629 108.311 108.800 0.233 0.000 2.543 515 G HA2 0.463 4.423 3.960 0.000 0.000 0.290 515 G HA3 0.463 4.423 3.960 0.000 0.000 0.290 515 G C -0.176 174.772 174.900 0.079 0.000 1.310 515 G CA -0.593 44.573 45.100 0.110 0.000 1.025 515 G HN 0.888 nan 8.290 nan 0.000 0.502 516 G N -1.563 107.243 108.800 0.010 0.000 2.378 516 G HA2 0.439 4.399 3.960 0.000 0.000 0.255 516 G HA3 0.439 4.399 3.960 0.000 0.000 0.255 516 G C -0.613 174.196 174.900 -0.152 0.000 1.270 516 G CA -0.073 44.999 45.100 -0.047 0.000 0.876 516 G HN 0.572 nan 8.290 nan 0.000 0.521 517 V N 3.066 122.809 119.914 -0.285 0.000 2.448 517 V HA 0.226 4.346 4.120 0.000 0.000 0.295 517 V C -0.594 175.112 176.094 -0.648 0.000 1.025 517 V CA -0.927 61.002 62.300 -0.618 0.000 0.859 517 V CB 1.925 33.033 31.823 -1.192 0.000 0.988 517 V HN 0.759 nan 8.190 nan 0.000 0.431 518 D N 3.401 123.504 120.400 -0.495 0.000 2.441 518 D HA 0.268 4.908 4.640 0.000 0.000 0.221 518 D C 0.528 176.614 176.300 -0.357 0.000 1.156 518 D CA -0.222 53.589 54.000 -0.315 0.000 0.896 518 D CB 0.626 41.315 40.800 -0.185 0.000 1.028 518 D HN 0.366 nan 8.370 nan 0.000 0.509 519 F N 2.064 121.927 119.950 -0.146 0.000 2.407 519 F HA -0.111 4.416 4.527 0.000 0.000 0.299 519 F C 2.314 178.035 175.800 -0.132 0.000 1.097 519 F CA 0.180 58.097 58.000 -0.138 0.000 1.422 519 F CB -0.159 38.722 39.000 -0.198 0.000 1.067 519 F HN 0.269 nan 8.300 nan 0.000 0.539 520 V N 0.099 120.011 119.914 -0.002 0.000 2.261 520 V HA -0.314 3.806 4.120 0.000 0.000 0.246 520 V C 2.631 178.691 176.094 -0.056 0.000 1.047 520 V CA 1.934 64.194 62.300 -0.066 0.000 1.015 520 V CB -1.407 30.366 31.823 -0.082 0.000 0.642 520 V HN 0.338 nan 8.190 nan 0.000 0.446 521 A N -0.478 122.304 122.820 -0.063 0.000 1.933 521 A HA -0.194 4.126 4.320 0.000 0.000 0.218 521 A C 2.186 179.745 177.584 -0.040 0.000 1.175 521 A CA 2.042 54.045 52.037 -0.056 0.000 0.628 521 A CB -0.581 18.376 19.000 -0.071 0.000 0.814 521 A HN 0.450 nan 8.150 nan 0.000 0.444 522 L N -0.352 120.844 121.223 -0.045 0.000 2.017 522 L HA -0.121 4.219 4.340 0.000 0.000 0.208 522 L C 2.818 179.722 176.870 0.057 0.000 1.073 522 L CA 2.097 56.940 54.840 0.005 0.000 0.745 522 L CB -0.560 41.510 42.059 0.019 0.000 0.894 522 L HN 0.358 nan 8.230 nan 0.000 0.432 523 A N -0.854 122.006 122.820 0.067 0.000 1.902 523 A HA -0.231 4.089 4.320 0.000 0.000 0.217 523 A C 2.130 179.725 177.584 0.020 0.000 1.181 523 A CA 1.881 53.951 52.037 0.055 0.000 0.623 523 A CB -0.645 18.355 19.000 -0.000 0.000 0.818 523 A HN 0.613 nan 8.150 nan 0.000 0.443 524 E N -0.170 120.028 120.200 -0.004 0.000 2.150 524 E HA -0.101 4.249 4.350 0.000 0.000 0.193 524 E C 2.243 178.848 176.600 0.008 0.000 0.985 524 E CA 0.827 57.226 56.400 -0.002 0.000 0.814 524 E CB -0.321 29.372 29.700 -0.012 0.000 0.752 524 E HN 0.621 nan 8.360 nan 0.000 0.466 525 A N 1.951 124.775 122.820 0.007 0.000 2.024 525 A HA -0.171 4.149 4.320 0.000 0.000 0.220 525 A C 1.792 179.387 177.584 0.018 0.000 1.164 525 A CA 1.175 53.218 52.037 0.009 0.000 0.643 525 A CB -0.285 18.718 19.000 0.005 0.000 0.806 525 A HN 0.149 nan 8.150 nan 0.000 0.451 526 N N -1.043 117.673 118.700 0.027 0.000 2.336 526 N HA 0.128 4.868 4.740 0.000 0.000 0.189 526 N C 0.968 176.497 175.510 0.031 0.000 1.113 526 N CA 0.883 53.952 53.050 0.032 0.000 0.858 526 N CB 0.435 38.949 38.487 0.044 0.000 0.970 526 N HN 0.625 nan 8.380 nan 0.000 0.471 527 G N 0.589 109.406 108.800 0.028 0.000 2.132 527 G HA2 -0.231 3.729 3.960 0.000 0.000 0.228 527 G HA3 -0.231 3.729 3.960 0.000 0.000 0.228 527 G C -0.242 174.682 174.900 0.039 0.000 1.000 527 G CA -0.132 44.987 45.100 0.031 0.000 0.693 527 G HN 0.153 nan 8.290 nan 0.000 0.515 528 V N 1.345 121.280 119.914 0.035 0.000 2.357 528 V HA 0.390 4.510 4.120 0.000 0.000 0.284 528 V C 0.045 176.147 176.094 0.013 0.000 1.018 528 V CA -1.183 61.140 62.300 0.038 0.000 0.841 528 V CB 1.569 33.413 31.823 0.035 0.000 0.991 528 V HN 0.258 nan 8.190 nan 0.000 0.437 529 D N 3.801 124.241 120.400 0.066 0.000 2.443 529 D HA 0.523 5.163 4.640 0.000 0.000 0.239 529 D C 0.210 176.387 176.300 -0.205 0.000 1.136 529 D CA 0.666 54.715 54.000 0.082 0.000 0.879 529 D CB 1.439 42.420 40.800 0.303 0.000 1.195 529 D HN 0.836 nan 8.370 nan 0.000 0.443 530 A N 1.227 123.868 122.820 -0.298 0.000 2.609 530 A HA 0.741 5.061 4.320 0.000 0.000 0.291 530 A C -0.540 176.814 177.584 -0.385 0.000 1.096 530 A CA -0.601 51.075 52.037 -0.602 0.000 0.684 530 A CB 2.371 21.171 19.000 -0.334 0.000 1.282 530 A HN 0.417 nan 8.150 nan 0.000 0.412 531 T N -0.476 113.834 114.554 -0.406 0.000 2.821 531 T HA 0.566 4.916 4.350 0.000 0.000 0.306 531 T C -1.187 173.431 174.700 -0.137 0.000 1.313 531 T CA -0.544 61.467 62.100 -0.147 0.000 1.012 531 T CB 1.380 70.269 68.868 0.035 0.000 1.298 531 T HN 0.829 nan 8.240 nan 0.000 0.502 532 R N 1.344 121.798 120.500 -0.076 0.000 2.368 532 R HA 0.788 5.128 4.340 0.000 0.000 0.302 532 R C -1.097 175.173 176.300 -0.051 0.000 1.002 532 R CA -0.477 55.580 56.100 -0.072 0.000 0.929 532 R CB 1.036 31.303 30.300 -0.056 0.000 1.073 532 R HN 0.680 nan 8.270 nan 0.000 0.464 533 A N 2.005 124.788 122.820 -0.062 0.000 2.374 533 A HA 0.348 4.668 4.320 0.000 0.000 0.305 533 A C 0.168 177.719 177.584 -0.055 0.000 1.053 533 A CA -0.616 51.393 52.037 -0.047 0.000 0.726 533 A CB 1.603 20.576 19.000 -0.044 0.000 1.229 533 A HN 0.865 nan 8.150 nan 0.000 0.431 534 T N -1.567 112.962 114.554 -0.041 0.000 3.040 534 T HA 0.297 4.647 4.350 0.000 0.000 0.266 534 T C 0.208 174.889 174.700 -0.031 0.000 1.005 534 T CA 0.428 62.503 62.100 -0.041 0.000 0.906 534 T CB -0.616 68.232 68.868 -0.033 0.000 1.082 534 T HN 0.906 nan 8.240 nan 0.000 0.531 535 N N -0.327 118.357 118.700 -0.027 0.000 2.934 535 N HA 0.419 5.159 4.740 0.000 0.000 0.253 535 N C 0.369 175.868 175.510 -0.018 0.000 1.466 535 N CA -1.162 51.878 53.050 -0.018 0.000 0.858 535 N CB 0.940 39.420 38.487 -0.012 0.000 1.459 535 N HN -0.185 nan 8.380 nan 0.000 0.532 536 R N -0.204 120.289 120.500 -0.011 0.000 2.091 536 R HA -0.147 4.193 4.340 0.000 0.000 0.238 536 R C 1.398 177.695 176.300 -0.005 0.000 1.136 536 R CA 1.843 57.938 56.100 -0.008 0.000 0.959 536 R CB -0.230 30.069 30.300 -0.000 0.000 0.856 536 R HN 0.775 nan 8.270 nan 0.000 0.437 537 E N 0.956 121.153 120.200 -0.005 0.000 2.051 537 E HA -0.218 4.132 4.350 0.000 0.000 0.192 537 E C 1.659 178.256 176.600 -0.004 0.000 0.991 537 E CA 1.362 57.760 56.400 -0.004 0.000 0.799 537 E CB 0.145 29.842 29.700 -0.005 0.000 0.748 537 E HN 0.375 nan 8.360 nan 0.000 0.449 538 E N 0.122 120.318 120.200 -0.007 0.000 2.106 538 E HA -0.185 4.165 4.350 0.000 0.000 0.192 538 E C 2.115 178.712 176.600 -0.004 0.000 0.984 538 E CA 0.659 57.056 56.400 -0.005 0.000 0.806 538 E CB -0.030 29.664 29.700 -0.010 0.000 0.750 538 E HN 0.197 nan 8.360 nan 0.000 0.458 539 L N 0.939 122.154 121.223 -0.013 0.000 2.027 539 L HA -0.126 4.214 4.340 0.000 0.000 0.206 539 L C 2.012 178.877 176.870 -0.009 0.000 1.074 539 L CA 1.471 56.299 54.840 -0.019 0.000 0.745 539 L CB -0.380 41.660 42.059 -0.032 0.000 0.898 539 L HN 0.109 nan 8.230 nan 0.000 0.433 540 L N -0.585 120.638 121.223 -0.000 0.000 2.042 540 L HA -0.226 4.114 4.340 0.000 0.000 0.210 540 L C 2.669 179.542 176.870 0.004 0.000 1.076 540 L CA 1.333 56.179 54.840 0.010 0.000 0.749 540 L CB -0.943 41.125 42.059 0.015 0.000 0.893 540 L HN 0.392 nan 8.230 nan 0.000 0.432 541 A N -0.074 122.746 122.820 0.001 0.000 1.877 541 A HA -0.201 4.119 4.320 0.000 0.000 0.216 541 A C 2.518 180.096 177.584 -0.010 0.000 1.186 541 A CA 1.879 53.913 52.037 -0.005 0.000 0.620 541 A CB -0.768 18.230 19.000 -0.002 0.000 0.822 541 A HN 0.421 nan 8.150 nan 0.000 0.443 542 A N -0.466 122.368 122.820 0.022 0.000 1.902 542 A HA -0.012 4.308 4.320 0.000 0.000 0.217 542 A C 2.190 179.802 177.584 0.047 0.000 1.181 542 A CA 1.483 53.577 52.037 0.096 0.000 0.623 542 A CB -0.588 18.498 19.000 0.144 0.000 0.818 542 A HN 0.465 nan 8.150 nan 0.000 0.443 543 L N -1.169 120.045 121.223 -0.016 0.000 2.046 543 L HA -0.180 4.160 4.340 0.000 0.000 0.208 543 L C 2.875 179.704 176.870 -0.070 0.000 1.077 543 L CA 1.514 56.295 54.840 -0.098 0.000 0.747 543 L CB -0.410 41.589 42.059 -0.099 0.000 0.896 543 L HN 0.330 nan 8.230 nan 0.000 0.432 544 R N -0.100 120.382 120.500 -0.029 0.000 2.081 544 R HA -0.196 4.144 4.340 0.000 0.000 0.235 544 R C 2.325 178.573 176.300 -0.086 0.000 1.131 544 R CA 1.434 57.524 56.100 -0.018 0.000 0.960 544 R CB -0.247 30.050 30.300 -0.005 0.000 0.856 544 R HN 0.259 nan 8.270 nan 0.000 0.436 545 K N 0.194 120.496 120.400 -0.163 0.000 2.002 545 K HA -0.130 4.190 4.320 0.000 0.000 0.209 545 K C 2.105 178.431 176.600 -0.458 0.000 1.048 545 K CA 1.780 57.883 56.287 -0.306 0.000 0.930 545 K CB -0.381 31.887 32.500 -0.387 0.000 0.714 545 K HN 0.244 nan 8.250 nan 0.000 0.438 546 G N 0.364 108.833 108.800 -0.551 0.000 2.440 546 G HA2 -0.280 3.680 3.960 0.000 0.000 0.218 546 G HA3 -0.280 3.680 3.960 0.000 0.000 0.218 546 G C 1.587 176.414 174.900 -0.122 0.000 1.154 546 G CA 1.000 45.853 45.100 -0.411 0.000 0.767 546 G HN 0.473 nan 8.290 nan 0.000 0.552 547 A N 0.413 123.212 122.820 -0.034 0.000 2.019 547 A HA 0.042 4.362 4.320 0.000 0.000 0.219 547 A C 2.058 179.670 177.584 0.047 0.000 1.164 547 A CA 1.720 53.825 52.037 0.114 0.000 0.644 547 A CB -0.193 18.942 19.000 0.226 0.000 0.805 547 A HN 0.474 nan 8.150 nan 0.000 0.449 548 E N -1.256 118.928 120.200 -0.026 0.000 2.481 548 E HA 0.127 4.477 4.350 0.000 0.000 0.198 548 E C 1.319 177.887 176.600 -0.054 0.000 1.027 548 E CA -0.273 56.108 56.400 -0.031 0.000 0.900 548 E CB 0.154 29.830 29.700 -0.040 0.000 0.993 548 E HN 0.441 nan 8.360 nan 0.000 0.482 549 L N 0.296 121.466 121.223 -0.088 0.000 2.141 549 L HA 0.040 4.380 4.340 0.000 0.000 0.209 549 L C 1.509 178.361 176.870 -0.029 0.000 1.094 549 L CA 1.864 56.648 54.840 -0.093 0.000 0.763 549 L CB -0.269 41.694 42.059 -0.159 0.000 0.908 549 L HN 0.275 nan 8.230 nan 0.000 0.437 550 G N -0.361 108.438 108.800 -0.002 0.000 2.155 550 G HA2 -0.307 3.653 3.960 0.000 0.000 0.257 550 G HA3 -0.307 3.653 3.960 0.000 0.000 0.257 550 G C 0.547 175.464 174.900 0.029 0.000 0.983 550 G CA 0.602 45.712 45.100 0.016 0.000 0.676 550 G HN 0.435 nan 8.290 nan 0.000 0.528 551 R N -0.370 120.153 120.500 0.039 0.000 2.799 551 R HA 0.483 4.823 4.340 0.000 0.000 0.270 551 R C -2.712 173.645 176.300 0.096 0.000 1.010 551 R CA -1.951 54.186 56.100 0.062 0.000 0.916 551 R CB 2.175 32.514 30.300 0.065 0.000 1.228 551 R HN 0.028 nan 8.270 nan 0.000 0.469 552 P HA 0.067 nan 4.420 nan 0.000 0.269 552 P C -1.086 176.346 177.300 0.220 0.000 1.215 552 P CA 0.295 63.474 63.100 0.131 0.000 0.780 552 P CB 0.496 32.253 31.700 0.095 0.000 0.898 553 F N 1.997 121.940 119.950 -0.013 0.000 2.591 553 F HA 0.587 5.114 4.527 0.000 0.000 0.309 553 F C -1.483 174.278 175.800 -0.065 0.000 1.098 553 F CA -1.115 56.862 58.000 -0.038 0.000 0.937 553 F CB 1.669 40.635 39.000 -0.057 0.000 1.250 553 F HN 0.158 nan 8.300 nan 0.000 0.447 554 L N 6.150 126.992 121.223 -0.635 0.000 2.386 554 L HA 0.758 5.098 4.340 0.000 0.000 0.271 554 L C -1.655 174.827 176.870 -0.648 0.000 0.993 554 L CA -0.519 54.025 54.840 -0.493 0.000 0.819 554 L CB 1.760 43.633 42.059 -0.311 0.000 1.294 554 L HN 0.577 nan 8.230 nan 0.000 0.414 555 I N 3.849 124.164 120.570 -0.425 0.000 2.439 555 I HA 0.353 4.523 4.170 0.000 0.000 0.285 555 I C -0.562 175.381 176.117 -0.289 0.000 1.021 555 I CA -0.412 60.694 61.300 -0.324 0.000 1.091 555 I CB 1.892 39.773 38.000 -0.199 0.000 1.242 555 I HN 0.583 nan 8.210 nan 0.000 0.439 556 E N 6.125 126.185 120.200 -0.232 0.000 2.200 556 E HA 0.479 4.829 4.350 0.000 0.000 0.283 556 E C -1.414 175.091 176.600 -0.159 0.000 1.015 556 E CA -0.520 55.761 56.400 -0.198 0.000 0.819 556 E CB 1.391 31.035 29.700 -0.092 0.000 1.081 556 E HN 0.385 nan 8.360 nan 0.000 0.397 557 V N 7.513 127.319 119.914 -0.181 0.000 2.409 557 V HA 0.345 4.465 4.120 0.000 0.000 0.291 557 V C -2.202 173.802 176.094 -0.149 0.000 1.020 557 V CA -1.931 60.278 62.300 -0.152 0.000 0.848 557 V CB 1.443 33.169 31.823 -0.161 0.000 0.990 557 V HN 0.715 nan 8.190 nan 0.000 0.430 558 P HA 0.265 nan 4.420 nan 0.000 0.271 558 P C -0.647 176.555 177.300 -0.162 0.000 1.220 558 P CA 0.197 63.226 63.100 -0.117 0.000 0.768 558 P CB 1.463 33.113 31.700 -0.083 0.000 0.848 559 V N 0.964 120.748 119.914 -0.217 0.000 3.102 559 V HA 0.712 4.832 4.120 0.000 0.000 0.312 559 V C -0.830 175.031 176.094 -0.389 0.000 1.135 559 V CA -0.903 61.208 62.300 -0.316 0.000 1.022 559 V CB 2.647 34.234 31.823 -0.394 0.000 1.056 559 V HN 0.448 nan 8.190 nan 0.000 0.436 560 N N 0.060 118.491 118.700 -0.449 0.000 2.416 560 N HA 0.527 5.267 4.740 0.000 0.000 0.276 560 N C -0.885 174.346 175.510 -0.465 0.000 1.261 560 N CA -0.316 52.458 53.050 -0.460 0.000 0.790 560 N CB 2.421 40.758 38.487 -0.250 0.000 1.554 560 N HN 0.808 nan 8.380 nan 0.000 0.481 561 Y N 0.100 120.343 120.300 -0.095 0.000 2.464 561 Y HA 0.135 4.685 4.550 0.000 0.000 0.288 561 Y C 0.003 175.878 175.900 -0.040 0.000 1.133 561 Y CA 0.059 58.172 58.100 0.021 0.000 1.223 561 Y CB 0.147 38.713 38.460 0.178 0.000 1.187 561 Y HN 0.406 nan 8.280 nan 0.000 0.539 562 D N 1.521 121.837 120.400 -0.141 0.000 2.904 562 D HA -0.195 4.445 4.640 0.000 0.000 0.231 562 D C -0.925 175.419 176.300 0.073 0.000 1.185 562 D CA 0.740 54.677 54.000 -0.106 0.000 0.783 562 D CB -1.507 39.299 40.800 0.010 0.000 0.961 562 D HN 0.194 nan 8.370 nan 0.000 0.409 563 F N -0.840 119.250 119.950 0.233 0.000 2.378 563 F HA 0.603 5.130 4.527 0.000 0.000 0.325 563 F C 0.693 176.615 175.800 0.204 0.000 1.097 563 F CA -1.658 56.492 58.000 0.249 0.000 1.079 563 F CB 0.655 39.699 39.000 0.074 0.000 1.240 563 F HN -0.114 nan 8.300 nan 0.000 0.519 564 Q N 3.437 123.567 119.800 0.550 0.000 2.341 564 Q HA 0.431 4.771 4.340 0.000 0.000 0.268 564 Q C -2.195 174.057 176.000 0.421 0.000 1.013 564 Q CA -2.082 53.953 55.803 0.387 0.000 0.798 564 Q CB 1.992 30.888 28.738 0.264 0.000 1.253 564 Q HN 0.375 nan 8.270 nan 0.000 0.457 565 P HA -0.085 nan 4.420 nan 0.000 0.222 565 P C 0.833 178.286 177.300 0.255 0.000 1.147 565 P CA 1.208 64.431 63.100 0.204 0.000 0.790 565 P CB 0.243 31.987 31.700 0.074 0.000 0.780 566 G N 0.368 109.290 108.800 0.202 0.000 2.448 566 G HA2 -0.143 3.817 3.960 0.000 0.000 0.219 566 G HA3 -0.143 3.817 3.960 0.000 0.000 0.219 566 G C 1.559 176.497 174.900 0.062 0.000 1.127 566 G CA 0.701 45.878 45.100 0.127 0.000 0.766 566 G HN 0.435 nan 8.290 nan 0.000 0.552 567 G N -0.489 108.319 108.800 0.013 0.000 3.233 567 G HA2 0.305 4.265 3.960 0.000 0.000 0.227 567 G HA3 0.305 4.265 3.960 0.000 0.000 0.227 567 G C 0.216 174.855 174.900 -0.435 0.000 1.175 567 G CA -0.425 44.544 45.100 -0.218 0.000 0.781 567 G HN 0.310 nan 8.290 nan 0.000 0.542 568 F N 0.600 120.511 119.950 -0.065 0.000 2.908 568 F HA 0.306 4.833 4.527 0.000 0.000 0.328 568 F C 1.981 177.690 175.800 -0.153 0.000 1.211 568 F CA -0.498 57.419 58.000 -0.138 0.000 1.291 568 F CB 1.010 39.882 39.000 -0.214 0.000 0.962 568 F HN 0.079 nan 8.300 nan 0.000 0.505 569 G N 0.218 109.011 108.800 -0.013 0.000 2.448 569 G HA2 -0.191 3.769 3.960 0.000 0.000 0.219 569 G HA3 -0.191 3.769 3.960 0.000 0.000 0.219 569 G C 1.856 176.722 174.900 -0.056 0.000 1.127 569 G CA 0.858 45.941 45.100 -0.030 0.000 0.766 569 G HN 0.442 nan 8.290 nan 0.000 0.552 570 A N 0.469 123.243 122.820 -0.077 0.000 2.125 570 A HA 0.146 4.466 4.320 0.000 0.000 0.219 570 A C 2.243 179.755 177.584 -0.119 0.000 1.156 570 A CA 0.808 52.789 52.037 -0.094 0.000 0.671 570 A CB -0.247 18.698 19.000 -0.090 0.000 0.794 570 A HN 0.393 nan 8.150 nan 0.000 0.459 571 L N -0.154 120.986 121.223 -0.138 0.000 2.395 571 L HA 0.002 4.342 4.340 0.000 0.000 0.218 571 L C 0.649 177.469 176.870 -0.084 0.000 1.130 571 L CA -0.115 54.626 54.840 -0.165 0.000 0.826 571 L CB -0.365 41.557 42.059 -0.229 0.000 0.941 571 L HN 0.143 nan 8.230 nan 0.000 0.451 572 S N 0.597 116.257 115.700 -0.066 0.000 2.533 572 S HA 0.340 4.810 4.470 0.000 0.000 0.282 572 S C 0.113 174.679 174.600 -0.055 0.000 1.304 572 S CA -0.025 58.146 58.200 -0.049 0.000 1.063 572 S CB 0.819 63.992 63.200 -0.045 0.000 0.881 572 S HN 0.048 nan 8.310 nan 0.000 0.493 573 I N 0.000 120.543 120.570 -0.046 0.000 2.984 573 I HA 0.000 4.170 4.170 0.000 0.000 0.288 573 I CA 0.000 61.276 61.300 -0.040 0.000 1.566 573 I CB 0.000 37.979 38.000 -0.036 0.000 1.214 573 I HN 0.000 nan 8.210 nan 0.000 0.494