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 2ihu_1_B DATA FIRST_RESID 11 DATA SEQUENCE KPTAAHALLS RLRDHGVGKV FGVVGREAAS ILFDEVEGID FVLTRHEFTA DATA SEQUENCE GVAADVLARI TGRPQACWAT LGPGMTNLST GIATSVLDRS PVIALAAQSE DATA SEQUENCE SHDIFPNDTH QCLDSVAIVA PMSKYAVELQ RPHEITDLVD SAVNAAMTEP DATA SEQUENCE VGPSFISLPV DLLGSSEGID TTVPNPPANT PAKPVGVVAD GWQKAADQAA DATA SEQUENCE ALLAEAKHPV LVVGAAAIRS GAVPAIRALA ERLNIPVITT YIAKGVLPVG DATA SEQUENCE HELNYGAVTG YMDGILNFPA LQTMFAPVDL VLTVGYDYAE DLRPSMWQKG DATA SEQUENCE IEKKTVRISP TVNPIPRVYR PDVDVVTDVL AFVEHFETAT ASFGAKQRHD DATA SEQUENCE IEPLRARIAE FLADPETYED GMRVHQVIDS MNTVMEEAAE PGEGTIVSDI DATA SEQUENCE GFFRHYGVLF ARADQPFGFL TSAGCSSFGY GIPAAIGAQM ARPDQPTFLI DATA SEQUENCE AGDGGFHSNS SDLETIARLN LPIVTVVVNN DTNGLIELYQ NIGHHRSHDP DATA SEQUENCE AVKFGGVDFV ALAEANGVDA TRATNREELL AALRKGAELG RPFLIEVPVN DATA SEQUENCE YD 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 0.000 176.548 176.600 -0.086 0.000 0.988 11 K CA 0.000 56.247 56.287 -0.066 0.000 0.838 11 K CB 0.000 32.472 32.500 -0.047 0.000 1.064 12 P HA -0.017 nan 4.420 nan 0.000 0.264 12 P C -0.307 176.954 177.300 -0.065 0.000 1.193 12 P CA 0.027 63.008 63.100 -0.197 0.000 0.763 12 P CB 0.483 31.930 31.700 -0.421 0.000 0.810 13 T N -1.217 113.335 114.554 -0.004 0.000 2.893 13 T HA 0.557 4.906 4.350 -0.001 0.000 0.279 13 T C 1.332 176.070 174.700 0.063 0.000 0.991 13 T CA -0.215 61.899 62.100 0.024 0.000 0.950 13 T CB 0.899 69.774 68.868 0.010 0.000 1.223 13 T HN 0.197 nan 8.240 nan 0.000 0.585 14 A N 0.172 123.024 122.820 0.052 0.000 2.024 14 A HA 0.132 4.452 4.320 -0.001 0.000 0.220 14 A C 2.565 180.182 177.584 0.055 0.000 1.164 14 A CA 2.058 54.130 52.037 0.058 0.000 0.643 14 A CB -1.626 17.400 19.000 0.044 0.000 0.806 14 A HN 1.219 nan 8.150 nan 0.000 0.451 15 A N -0.853 121.985 122.820 0.030 0.000 1.877 15 A HA -0.185 4.135 4.320 -0.001 0.000 0.216 15 A C 2.004 179.575 177.584 -0.021 0.000 1.186 15 A CA 2.028 54.048 52.037 -0.027 0.000 0.620 15 A CB -0.906 18.028 19.000 -0.110 0.000 0.822 15 A HN 0.804 nan 8.150 nan 0.000 0.443 16 H N -0.325 118.707 119.070 -0.063 0.000 2.321 16 H HA 0.024 4.579 4.556 -0.001 0.000 0.300 16 H C 2.147 177.470 175.328 -0.010 0.000 1.087 16 H CA 1.981 58.004 56.048 -0.043 0.000 1.319 16 H CB -0.157 29.585 29.762 -0.034 0.000 1.379 16 H HN 0.402 nan 8.280 nan 0.000 0.501 17 A N 0.574 123.484 122.820 0.151 0.000 1.930 17 A HA -0.100 4.220 4.320 -0.001 0.000 0.217 17 A C 2.331 179.938 177.584 0.039 0.000 1.175 17 A CA 1.427 53.528 52.037 0.107 0.000 0.627 17 A CB -0.792 18.279 19.000 0.119 0.000 0.815 17 A HN 0.498 nan 8.150 nan 0.000 0.443 18 L N -0.053 121.195 121.223 0.041 0.000 1.994 18 L HA -0.103 4.236 4.340 -0.001 0.000 0.208 18 L C 2.268 179.166 176.870 0.047 0.000 1.071 18 L CA 1.846 56.723 54.840 0.061 0.000 0.745 18 L CB -0.734 41.387 42.059 0.104 0.000 0.892 18 L HN 0.389 nan 8.230 nan 0.000 0.431 19 L N -0.841 120.378 121.223 -0.008 0.000 2.079 19 L HA -0.207 4.133 4.340 -0.001 0.000 0.210 19 L C 2.737 179.571 176.870 -0.060 0.000 1.081 19 L CA 1.547 56.373 54.840 -0.022 0.000 0.752 19 L CB -0.844 41.168 42.059 -0.080 0.000 0.896 19 L HN 0.463 nan 8.230 nan 0.000 0.433 20 S N -0.286 115.330 115.700 -0.140 0.000 2.383 20 S HA -0.191 4.279 4.470 -0.001 0.000 0.227 20 S C 2.179 176.762 174.600 -0.030 0.000 1.026 20 S CA 1.071 59.193 58.200 -0.129 0.000 0.981 20 S CB -0.061 63.025 63.200 -0.190 0.000 0.818 20 S HN 0.238 nan 8.310 nan 0.000 0.472 21 R N 1.051 121.561 120.500 0.016 0.000 2.090 21 R HA 0.253 4.593 4.340 -0.001 0.000 0.228 21 R C 2.184 178.568 176.300 0.140 0.000 1.110 21 R CA 1.201 57.343 56.100 0.070 0.000 0.973 21 R CB -1.029 29.331 30.300 0.100 0.000 0.869 21 R HN 0.491 nan 8.270 nan 0.000 0.440 22 L N -0.086 121.209 121.223 0.120 0.000 2.012 22 L HA -0.160 4.179 4.340 -0.001 0.000 0.210 22 L C 2.678 179.610 176.870 0.105 0.000 1.073 22 L CA 1.832 56.752 54.840 0.134 0.000 0.748 22 L CB -0.466 41.662 42.059 0.115 0.000 0.891 22 L HN 0.221 nan 8.230 nan 0.000 0.431 23 R N 0.205 120.734 120.500 0.048 0.000 2.091 23 R HA -0.197 4.143 4.340 -0.001 0.000 0.238 23 R C 1.875 178.178 176.300 0.006 0.000 1.136 23 R CA 1.929 58.040 56.100 0.019 0.000 0.959 23 R CB -0.178 30.115 30.300 -0.012 0.000 0.856 23 R HN 0.335 nan 8.270 nan 0.000 0.437 24 D N -0.377 120.010 120.400 -0.022 0.000 2.149 24 D HA -0.169 4.470 4.640 -0.001 0.000 0.198 24 D C 1.250 177.451 176.300 -0.164 0.000 0.990 24 D CA 1.188 55.125 54.000 -0.104 0.000 0.839 24 D CB -0.283 40.418 40.800 -0.166 0.000 0.948 24 D HN 0.427 nan 8.370 nan 0.000 0.460 25 H N -0.841 118.232 119.070 0.005 0.000 2.536 25 H HA 0.248 4.804 4.556 -0.001 0.000 0.276 25 H C 1.415 176.749 175.328 0.010 0.000 1.019 25 H CA 0.790 56.842 56.048 0.006 0.000 1.159 25 H CB 0.434 30.200 29.762 0.006 0.000 1.373 25 H HN 0.220 nan 8.280 nan 0.000 0.584 26 G N 0.727 109.574 108.800 0.078 0.000 2.176 26 G HA2 -0.285 3.675 3.960 -0.001 0.000 0.253 26 G HA3 -0.285 3.675 3.960 -0.001 0.000 0.253 26 G C 0.325 175.257 174.900 0.052 0.000 0.979 26 G CA 0.272 45.404 45.100 0.053 0.000 0.641 26 G HN 0.224 nan 8.290 nan 0.000 0.530 27 V N 0.803 120.757 119.914 0.066 0.000 2.521 27 V HA 0.533 4.653 4.120 -0.001 0.000 0.286 27 V C 1.561 177.669 176.094 0.024 0.000 1.034 27 V CA 1.180 63.512 62.300 0.053 0.000 1.045 27 V CB 1.304 33.170 31.823 0.072 0.000 0.974 27 V HN 0.645 nan 8.190 nan 0.000 0.480 28 G N 4.449 113.250 108.800 0.002 0.000 2.944 28 G HA2 0.190 4.150 3.960 -0.001 0.000 0.223 28 G HA3 0.190 4.150 3.960 -0.001 0.000 0.223 28 G C 0.425 175.276 174.900 -0.081 0.000 1.071 28 G CA -0.126 44.959 45.100 -0.026 0.000 0.806 28 G HN 0.494 nan 8.290 nan 0.000 0.538 29 K N 0.594 120.919 120.400 -0.124 0.000 2.422 29 K HA 0.607 4.927 4.320 -0.001 0.000 0.251 29 K C -1.581 174.821 176.600 -0.329 0.000 0.933 29 K CA -0.618 55.475 56.287 -0.324 0.000 0.798 29 K CB 3.024 35.195 32.500 -0.547 0.000 1.238 29 K HN -0.124 nan 8.250 nan 0.000 0.428 30 V N 3.594 123.230 119.914 -0.464 0.000 2.376 30 V HA 0.401 4.520 4.120 -0.001 0.000 0.287 30 V C -0.792 174.786 176.094 -0.860 0.000 1.015 30 V CA -0.841 61.219 62.300 -0.399 0.000 0.834 30 V CB 0.524 32.259 31.823 -0.147 0.000 1.001 30 V HN 0.520 nan 8.190 nan 0.000 0.428 31 F N 3.221 122.907 119.950 -0.439 0.000 2.410 31 F HA 0.827 5.354 4.527 -0.001 0.000 0.348 31 F C 1.025 176.561 175.800 -0.440 0.000 1.106 31 F CA 0.347 58.048 58.000 -0.497 0.000 1.163 31 F CB 1.645 40.489 39.000 -0.261 0.000 1.129 31 F HN 0.692 nan 8.300 nan 0.000 0.516 32 G N 0.987 109.578 108.800 -0.348 0.000 2.325 32 G HA2 0.477 4.436 3.960 -0.001 0.000 0.295 32 G HA3 0.477 4.436 3.960 -0.001 0.000 0.295 32 G C -2.327 172.749 174.900 0.294 0.000 1.274 32 G CA -0.759 44.401 45.100 0.100 0.000 0.857 32 G HN 0.445 nan 8.290 nan 0.000 0.499 33 V N 0.344 120.499 119.914 0.401 0.000 2.531 33 V HA 0.591 4.710 4.120 -0.001 0.000 0.301 33 V C 0.003 176.323 176.094 0.376 0.000 1.034 33 V CA -0.702 61.793 62.300 0.325 0.000 0.865 33 V CB 1.398 33.322 31.823 0.170 0.000 0.995 33 V HN 0.720 nan 8.190 nan 0.000 0.424 34 V N 3.894 123.933 119.914 0.208 0.000 2.509 34 V HA 0.792 4.912 4.120 -0.001 0.000 0.284 34 V C 0.898 177.085 176.094 0.156 0.000 1.047 34 V CA 0.312 62.715 62.300 0.171 0.000 0.952 34 V CB 1.262 33.004 31.823 -0.134 0.000 0.988 34 V HN 0.972 nan 8.190 nan 0.000 0.469 35 G N 3.201 112.127 108.800 0.211 0.000 3.008 35 G HA2 0.345 4.305 3.960 -0.001 0.000 0.181 35 G HA3 0.345 4.305 3.960 -0.001 0.000 0.181 35 G C 0.795 175.767 174.900 0.121 0.000 1.309 35 G CA -0.253 44.930 45.100 0.140 0.000 1.009 35 G HN 0.753 nan 8.290 nan 0.000 0.584 36 R N 0.008 120.570 120.500 0.103 0.000 2.249 36 R HA -0.063 4.277 4.340 -0.001 0.000 0.230 36 R C 1.667 178.019 176.300 0.086 0.000 1.121 36 R CA 1.953 58.102 56.100 0.083 0.000 0.997 36 R CB -0.302 30.047 30.300 0.081 0.000 0.867 36 R HN 0.546 nan 8.270 nan 0.000 0.465 37 E N 1.570 121.848 120.200 0.129 0.000 2.463 37 E HA -0.143 4.207 4.350 -0.001 0.000 0.201 37 E C 1.543 178.197 176.600 0.089 0.000 1.045 37 E CA 1.128 57.614 56.400 0.144 0.000 0.872 37 E CB -0.069 29.789 29.700 0.263 0.000 0.797 37 E HN 0.507 nan 8.360 nan 0.000 0.538 38 A N 1.676 124.533 122.820 0.061 0.000 2.076 38 A HA -0.007 4.312 4.320 -0.001 0.000 0.220 38 A C 2.467 180.032 177.584 -0.032 0.000 1.160 38 A CA 1.741 53.770 52.037 -0.014 0.000 0.653 38 A CB -0.614 18.378 19.000 -0.013 0.000 0.801 38 A HN 0.434 nan 8.150 nan 0.000 0.455 39 A N -1.053 121.766 122.820 -0.002 0.000 2.070 39 A HA -0.001 4.318 4.320 -0.001 0.000 0.220 39 A C 2.262 179.835 177.584 -0.019 0.000 1.159 39 A CA 1.955 53.989 52.037 -0.006 0.000 0.656 39 A CB -0.374 18.634 19.000 0.013 0.000 0.800 39 A HN 0.439 nan 8.150 nan 0.000 0.453 40 S N -1.936 113.751 115.700 -0.021 0.000 2.497 40 S HA 0.378 4.848 4.470 -0.001 0.000 0.218 40 S C 0.339 174.879 174.600 -0.101 0.000 1.023 40 S CA 0.026 58.207 58.200 -0.032 0.000 0.913 40 S CB 0.162 63.368 63.200 0.011 0.000 0.800 40 S HN 0.502 nan 8.310 nan 0.000 0.505 41 I N 1.272 121.730 120.570 -0.187 0.000 2.548 41 I HA 0.307 4.476 4.170 -0.001 0.000 0.287 41 I C -0.217 175.603 176.117 -0.495 0.000 1.103 41 I CA -0.498 60.545 61.300 -0.428 0.000 1.049 41 I CB 1.658 39.243 38.000 -0.691 0.000 1.232 41 I HN -0.024 nan 8.210 nan 0.000 0.429 42 L N 7.711 128.693 121.223 -0.402 0.000 2.253 42 L HA 0.407 4.747 4.340 -0.001 0.000 0.205 42 L C 0.488 177.267 176.870 -0.152 0.000 1.078 42 L CA 1.610 56.315 54.840 -0.225 0.000 0.805 42 L CB -0.301 41.684 42.059 -0.123 0.000 0.963 42 L HN 0.813 nan 8.230 nan 0.000 0.459 43 F N -0.912 118.907 119.950 -0.219 0.000 2.306 43 F HA -0.197 4.330 4.527 -0.001 0.000 0.320 43 F C 0.832 176.567 175.800 -0.108 0.000 0.610 43 F CA 0.573 58.454 58.000 -0.199 0.000 1.806 43 F CB -1.993 36.838 39.000 -0.283 0.000 2.328 43 F HN 0.393 nan 8.300 nan 0.000 0.281 44 D N -0.580 119.827 120.400 0.013 0.000 2.431 44 D HA 0.148 4.788 4.640 -0.001 0.000 0.213 44 D C 1.296 177.597 176.300 0.001 0.000 1.130 44 D CA 0.371 54.379 54.000 0.014 0.000 0.834 44 D CB -0.005 40.798 40.800 0.006 0.000 0.985 44 D HN 0.308 nan 8.370 nan 0.000 0.504 45 E N -0.035 120.150 120.200 -0.025 0.000 2.153 45 E HA -0.003 4.347 4.350 -0.001 0.000 0.194 45 E C 0.189 176.800 176.600 0.018 0.000 0.988 45 E CA 0.828 57.241 56.400 0.022 0.000 0.811 45 E CB 0.288 29.991 29.700 0.004 0.000 0.746 45 E HN 0.134 nan 8.360 nan 0.000 0.466 46 V N 1.177 121.059 119.914 -0.053 0.000 2.483 46 V HA 0.131 4.250 4.120 -0.001 0.000 0.297 46 V C -0.332 175.745 176.094 -0.028 0.000 1.027 46 V CA -0.978 61.271 62.300 -0.085 0.000 0.855 46 V CB 1.698 33.413 31.823 -0.182 0.000 0.995 46 V HN 0.055 nan 8.190 nan 0.000 0.424 47 E N 3.115 123.308 120.200 -0.011 0.000 2.376 47 E HA 0.403 4.752 4.350 -0.001 0.000 0.266 47 E C 1.166 177.761 176.600 -0.009 0.000 1.009 47 E CA 1.078 57.477 56.400 -0.003 0.000 0.902 47 E CB 0.659 30.362 29.700 0.005 0.000 0.972 47 E HN 1.052 nan 8.360 nan 0.000 0.439 48 G N 3.985 112.780 108.800 -0.008 0.000 2.218 48 G HA2 -0.245 3.715 3.960 -0.001 0.000 0.216 48 G HA3 -0.245 3.715 3.960 -0.001 0.000 0.216 48 G C 0.034 174.926 174.900 -0.013 0.000 0.994 48 G CA 0.029 45.123 45.100 -0.010 0.000 0.637 48 G HN 0.584 nan 8.290 nan 0.000 0.505 49 I N 1.943 122.508 120.570 -0.009 0.000 2.418 49 I HA 0.524 4.693 4.170 -0.001 0.000 0.287 49 I C -1.474 174.643 176.117 -0.001 0.000 1.008 49 I CA -0.930 60.365 61.300 -0.007 0.000 1.104 49 I CB 1.282 39.290 38.000 0.014 0.000 1.264 49 I HN -0.033 nan 8.210 nan 0.000 0.438 50 D N 7.270 127.639 120.400 -0.052 0.000 2.350 50 D HA 0.247 4.887 4.640 -0.001 0.000 0.245 50 D C -0.865 175.355 176.300 -0.134 0.000 1.036 50 D CA -0.118 53.846 54.000 -0.060 0.000 0.848 50 D CB 2.244 42.987 40.800 -0.095 0.000 1.307 50 D HN 0.261 nan 8.370 nan 0.000 0.469 51 F N 1.436 121.236 119.950 -0.250 0.000 2.412 51 F HA 0.218 4.745 4.527 -0.001 0.000 0.348 51 F C -0.079 175.515 175.800 -0.342 0.000 1.102 51 F CA -0.274 57.482 58.000 -0.407 0.000 1.196 51 F CB 0.829 39.496 39.000 -0.554 0.000 1.144 51 F HN -0.014 nan 8.300 nan 0.000 0.541 52 V N 7.937 127.312 119.914 -0.898 0.000 2.304 52 V HA 0.205 4.324 4.120 -0.001 0.000 0.278 52 V C -0.516 175.304 176.094 -0.457 0.000 1.018 52 V CA -0.851 61.108 62.300 -0.568 0.000 0.814 52 V CB 0.920 32.312 31.823 -0.718 0.000 1.021 52 V HN 0.583 nan 8.190 nan 0.000 0.440 53 L N 6.450 127.625 121.223 -0.080 0.000 2.360 53 L HA 0.599 4.939 4.340 -0.001 0.000 0.276 53 L C 0.733 177.637 176.870 0.057 0.000 1.121 53 L CA 0.897 55.799 54.840 0.103 0.000 0.845 53 L CB 1.147 43.327 42.059 0.200 0.000 1.143 53 L HN 0.847 nan 8.230 nan 0.000 0.452 54 T N 1.890 116.488 114.554 0.074 0.000 2.937 54 T HA 0.522 4.872 4.350 -0.001 0.000 0.283 54 T C 1.002 175.754 174.700 0.087 0.000 1.012 54 T CA -0.826 61.317 62.100 0.070 0.000 0.997 54 T CB 1.273 70.180 68.868 0.064 0.000 1.136 54 T HN 0.529 nan 8.240 nan 0.000 0.551 55 R N -0.243 120.308 120.500 0.084 0.000 2.200 55 R HA 0.204 4.544 4.340 -0.001 0.000 0.208 55 R C 0.589 176.979 176.300 0.150 0.000 1.033 55 R CA 0.601 56.758 56.100 0.094 0.000 1.000 55 R CB -0.696 29.645 30.300 0.068 0.000 0.906 55 R HN 0.789 nan 8.270 nan 0.000 0.462 56 H N -0.463 118.638 119.070 0.052 0.000 2.996 56 H HA 0.167 4.722 4.556 -0.001 0.000 0.368 56 H C -0.185 175.200 175.328 0.094 0.000 1.185 56 H CA -0.276 55.818 56.048 0.076 0.000 1.160 56 H CB 2.002 31.812 29.762 0.079 0.000 1.820 56 H HN -0.225 nan 8.280 nan 0.000 0.547 57 E N 2.639 122.783 120.200 -0.093 0.000 2.150 57 E HA -0.098 4.252 4.350 -0.001 0.000 0.193 57 E C 1.550 178.270 176.600 0.201 0.000 0.985 57 E CA 0.976 57.406 56.400 0.051 0.000 0.814 57 E CB -0.055 29.629 29.700 -0.027 0.000 0.752 57 E HN 0.459 nan 8.360 nan 0.000 0.466 58 F N 1.473 121.610 119.950 0.311 0.000 2.095 58 F HA -0.267 4.260 4.527 -0.001 0.000 0.298 58 F C 2.012 177.860 175.800 0.080 0.000 1.104 58 F CA 1.808 59.932 58.000 0.207 0.000 1.232 58 F CB -0.739 38.387 39.000 0.209 0.000 0.987 58 F HN -0.077 nan 8.300 nan 0.000 0.475 59 T N 0.883 115.404 114.554 -0.056 0.000 2.720 59 T HA -0.210 4.140 4.350 -0.001 0.000 0.268 59 T C 2.230 176.768 174.700 -0.270 0.000 1.037 59 T CA 1.612 63.562 62.100 -0.251 0.000 1.144 59 T CB -0.945 67.887 68.868 -0.059 0.000 0.864 59 T HN 0.415 nan 8.240 nan 0.000 0.444 60 A N 1.372 124.124 122.820 -0.113 0.000 1.877 60 A HA 0.086 4.405 4.320 -0.001 0.000 0.216 60 A C 2.649 180.120 177.584 -0.188 0.000 1.186 60 A CA 1.943 53.927 52.037 -0.088 0.000 0.620 60 A CB -1.389 17.640 19.000 0.049 0.000 0.822 60 A HN 0.519 nan 8.150 nan 0.000 0.443 61 G N -0.774 107.938 108.800 -0.147 0.000 2.402 61 G HA2 -0.079 3.881 3.960 -0.001 0.000 0.216 61 G HA3 -0.079 3.881 3.960 -0.001 0.000 0.216 61 G C 1.491 176.237 174.900 -0.257 0.000 1.162 61 G CA 1.227 46.245 45.100 -0.136 0.000 0.777 61 G HN 0.328 nan 8.290 nan 0.000 0.539 62 V N 1.479 121.141 119.914 -0.420 0.000 2.427 62 V HA -0.070 4.049 4.120 -0.001 0.000 0.248 62 V C 3.292 179.091 176.094 -0.492 0.000 1.051 62 V CA 1.818 63.840 62.300 -0.463 0.000 1.048 62 V CB -0.699 30.699 31.823 -0.709 0.000 0.666 62 V HN 0.466 nan 8.190 nan 0.000 0.456 63 A N 0.205 122.662 122.820 -0.604 0.000 1.902 63 A HA -0.131 4.188 4.320 -0.001 0.000 0.217 63 A C 2.438 179.502 177.584 -0.868 0.000 1.181 63 A CA 2.109 53.673 52.037 -0.788 0.000 0.623 63 A CB -0.772 17.598 19.000 -1.050 0.000 0.818 63 A HN 0.558 nan 8.150 nan 0.000 0.443 64 A N 0.034 122.378 122.820 -0.793 0.000 1.902 64 A HA -0.229 4.090 4.320 -0.001 0.000 0.217 64 A C 1.965 179.410 177.584 -0.232 0.000 1.181 64 A CA 1.893 53.688 52.037 -0.404 0.000 0.623 64 A CB -0.681 18.238 19.000 -0.135 0.000 0.818 64 A HN 0.677 nan 8.150 nan 0.000 0.443 65 D N -0.008 120.260 120.400 -0.221 0.000 2.092 65 D HA -0.150 4.490 4.640 -0.001 0.000 0.193 65 D C 1.902 178.097 176.300 -0.174 0.000 0.994 65 D CA 2.103 56.013 54.000 -0.150 0.000 0.828 65 D CB -0.070 40.665 40.800 -0.107 0.000 0.963 65 D HN 0.218 nan 8.370 nan 0.000 0.450 66 V N 0.969 120.744 119.914 -0.231 0.000 2.427 66 V HA -0.196 3.924 4.120 -0.001 0.000 0.248 66 V C 2.623 178.588 176.094 -0.215 0.000 1.051 66 V CA 1.057 63.217 62.300 -0.234 0.000 1.048 66 V CB -0.461 31.199 31.823 -0.273 0.000 0.666 66 V HN 0.223 nan 8.190 nan 0.000 0.456 67 L N 0.911 122.012 121.223 -0.203 0.000 2.046 67 L HA -0.072 4.268 4.340 -0.001 0.000 0.208 67 L C 2.442 179.263 176.870 -0.082 0.000 1.077 67 L CA 2.321 57.093 54.840 -0.113 0.000 0.747 67 L CB -0.905 41.123 42.059 -0.052 0.000 0.896 67 L HN 0.228 nan 8.230 nan 0.000 0.432 68 A N -0.485 122.281 122.820 -0.091 0.000 1.902 68 A HA -0.245 4.075 4.320 -0.001 0.000 0.217 68 A C 2.522 180.043 177.584 -0.105 0.000 1.181 68 A CA 1.732 53.729 52.037 -0.067 0.000 0.623 68 A CB -0.629 18.337 19.000 -0.055 0.000 0.818 68 A HN 0.502 nan 8.150 nan 0.000 0.443 69 R N -0.284 120.101 120.500 -0.192 0.000 2.073 69 R HA -0.087 4.252 4.340 -0.001 0.000 0.234 69 R C 1.871 177.941 176.300 -0.383 0.000 1.134 69 R CA 1.978 57.868 56.100 -0.350 0.000 0.952 69 R CB -0.363 29.617 30.300 -0.533 0.000 0.850 69 R HN 0.551 nan 8.270 nan 0.000 0.433 70 I N 0.081 120.487 120.570 -0.273 0.000 2.333 70 I HA -0.179 3.990 4.170 -0.001 0.000 0.246 70 I C 2.376 178.509 176.117 0.026 0.000 1.106 70 I CA 1.513 62.758 61.300 -0.092 0.000 1.411 70 I CB -0.325 37.645 38.000 -0.051 0.000 1.082 70 I HN 0.392 nan 8.210 nan 0.000 0.420 71 T N -1.711 112.842 114.554 -0.001 0.000 2.985 71 T HA 0.066 4.415 4.350 -0.001 0.000 0.266 71 T C 1.720 176.444 174.700 0.040 0.000 1.076 71 T CA 0.745 62.862 62.100 0.028 0.000 1.135 71 T CB -0.189 68.692 68.868 0.022 0.000 0.890 71 T HN 0.521 nan 8.240 nan 0.000 0.480 72 G N 1.857 110.674 108.800 0.029 0.000 2.153 72 G HA2 -0.211 3.748 3.960 -0.001 0.000 0.252 72 G HA3 -0.211 3.748 3.960 -0.001 0.000 0.252 72 G C -0.022 174.896 174.900 0.029 0.000 0.994 72 G CA -0.003 45.122 45.100 0.041 0.000 0.698 72 G HN 0.708 nan 8.290 nan 0.000 0.521 73 R N -0.529 119.984 120.500 0.021 0.000 2.807 73 R HA 0.576 4.916 4.340 -0.001 0.000 0.276 73 R C -2.843 173.469 176.300 0.020 0.000 0.979 73 R CA -2.691 53.426 56.100 0.028 0.000 0.928 73 R CB 0.664 30.986 30.300 0.038 0.000 1.191 73 R HN 0.010 nan 8.270 nan 0.000 0.471 74 P HA 0.068 nan 4.420 nan 0.000 0.266 74 P C -0.462 176.858 177.300 0.032 0.000 1.195 74 P CA 0.120 63.225 63.100 0.009 0.000 0.768 74 P CB 0.651 32.340 31.700 -0.017 0.000 0.838 75 Q N 0.766 120.587 119.800 0.036 0.000 2.552 75 Q HA 0.826 5.165 4.340 -0.001 0.000 0.289 75 Q C -0.929 175.126 176.000 0.092 0.000 1.097 75 Q CA -0.937 54.912 55.803 0.075 0.000 0.812 75 Q CB 2.580 31.365 28.738 0.078 0.000 1.460 75 Q HN 0.436 nan 8.270 nan 0.000 0.452 76 A N 0.262 123.170 122.820 0.147 0.000 2.449 76 A HA 0.811 5.131 4.320 -0.001 0.000 0.302 76 A C -0.510 177.204 177.584 0.217 0.000 1.048 76 A CA -0.532 51.603 52.037 0.162 0.000 0.708 76 A CB 0.820 19.918 19.000 0.163 0.000 1.274 76 A HN 0.842 nan 8.150 nan 0.000 0.410 77 C N -0.252 119.171 119.300 0.205 0.000 2.971 77 C HA 0.968 5.428 4.460 -0.001 0.000 0.310 77 C C -1.024 174.148 174.990 0.305 0.000 1.285 77 C CA -0.940 58.209 59.018 0.219 0.000 1.593 77 C CB 1.376 29.195 27.740 0.132 0.000 2.076 77 C HN 1.046 nan 8.230 nan 0.000 0.472 78 W N 1.318 122.683 121.300 0.107 0.000 3.129 78 W HA 0.652 5.312 4.660 -0.001 0.000 0.333 78 W C -1.018 175.609 176.519 0.179 0.000 1.141 78 W CA -0.071 57.386 57.345 0.186 0.000 1.224 78 W CB 2.230 31.869 29.460 0.298 0.000 1.393 78 W HN 1.300 nan 8.180 nan 0.000 0.499 79 A N 2.632 125.378 122.820 -0.123 0.000 2.566 79 A HA 0.637 4.957 4.320 -0.001 0.000 0.292 79 A C -0.642 176.897 177.584 -0.076 0.000 1.112 79 A CA -0.432 51.628 52.037 0.039 0.000 0.707 79 A CB 1.825 20.843 19.000 0.030 0.000 1.302 79 A HN 0.459 nan 8.150 nan 0.000 0.409 80 T N -0.097 114.509 114.554 0.086 0.000 2.729 80 T HA 0.514 4.864 4.350 -0.001 0.000 0.298 80 T C 0.584 175.288 174.700 0.007 0.000 1.013 80 T CA 0.004 62.151 62.100 0.079 0.000 0.957 80 T CB -0.228 68.711 68.868 0.119 0.000 1.130 80 T HN 0.952 nan 8.240 nan 0.000 0.526 81 L N -0.002 121.227 121.223 0.009 0.000 2.476 81 L HA 0.626 4.965 4.340 -0.001 0.000 0.264 81 L C 1.472 178.328 176.870 -0.024 0.000 1.224 81 L CA -0.341 54.493 54.840 -0.011 0.000 0.821 81 L CB -0.963 41.087 42.059 -0.015 0.000 1.101 81 L HN 0.908 nan 8.230 nan 0.000 0.488 82 G N 1.077 109.858 108.800 -0.031 0.000 2.602 82 G HA2 -0.307 3.653 3.960 -0.001 0.000 0.310 82 G HA3 -0.307 3.653 3.960 -0.001 0.000 0.310 82 G C -1.120 173.756 174.900 -0.040 0.000 1.183 82 G CA 0.325 45.397 45.100 -0.047 0.000 0.979 82 G HN 0.762 nan 8.290 nan 0.000 0.545 83 P HA 0.006 nan 4.420 nan 0.000 0.223 83 P C 1.914 179.193 177.300 -0.035 0.000 1.151 83 P CA 2.307 65.387 63.100 -0.034 0.000 0.787 83 P CB -0.636 31.046 31.700 -0.030 0.000 0.788 84 G N 0.873 109.657 108.800 -0.026 0.000 2.453 84 G HA2 -0.274 3.686 3.960 -0.001 0.000 0.215 84 G HA3 -0.274 3.686 3.960 -0.001 0.000 0.215 84 G C 1.549 176.439 174.900 -0.018 0.000 1.201 84 G CA 1.042 46.131 45.100 -0.018 0.000 0.784 84 G HN 0.148 nan 8.290 nan 0.000 0.545 85 M N 2.031 121.621 119.600 -0.016 0.000 2.108 85 M HA -0.125 4.354 4.480 -0.001 0.000 0.261 85 M C 2.717 178.980 176.300 -0.061 0.000 1.066 85 M CA 2.614 57.898 55.300 -0.026 0.000 1.107 85 M CB -1.225 31.369 32.600 -0.010 0.000 1.356 85 M HN 0.410 nan 8.290 nan 0.000 0.406 86 T N -1.090 113.433 114.554 -0.051 0.000 2.821 86 T HA -0.101 4.248 4.350 -0.001 0.000 0.267 86 T C 1.604 176.301 174.700 -0.004 0.000 1.046 86 T CA 1.573 63.647 62.100 -0.043 0.000 1.139 86 T CB -0.669 68.178 68.868 -0.035 0.000 0.871 86 T HN 0.326 nan 8.240 nan 0.000 0.454 87 N N 1.422 120.122 118.700 -0.000 0.000 2.120 87 N HA 0.015 4.755 4.740 -0.001 0.000 0.188 87 N C 1.681 177.255 175.510 0.105 0.000 1.024 87 N CA 0.843 53.918 53.050 0.041 0.000 0.852 87 N CB -0.718 37.684 38.487 -0.143 0.000 1.003 87 N HN 0.309 nan 8.380 nan 0.000 0.424 88 L N 1.007 122.260 121.223 0.051 0.000 2.201 88 L HA -0.071 4.268 4.340 -0.001 0.000 0.212 88 L C 2.161 179.072 176.870 0.069 0.000 1.105 88 L CA 1.183 56.068 54.840 0.075 0.000 0.775 88 L CB -0.728 41.359 42.059 0.047 0.000 0.913 88 L HN 0.225 nan 8.230 nan 0.000 0.440 89 S N -2.637 113.073 115.700 0.016 0.000 2.419 89 S HA -0.185 4.285 4.470 -0.001 0.000 0.233 89 S C 1.799 176.429 174.600 0.051 0.000 1.016 89 S CA 1.512 59.700 58.200 -0.020 0.000 0.974 89 S CB -0.969 62.180 63.200 -0.084 0.000 0.786 89 S HN 0.522 nan 8.310 nan 0.000 0.492 90 T N 1.468 116.099 114.554 0.128 0.000 2.867 90 T HA 0.085 4.435 4.350 -0.001 0.000 0.268 90 T C 1.956 176.858 174.700 0.336 0.000 1.057 90 T CA 1.241 63.463 62.100 0.203 0.000 1.136 90 T CB -0.916 68.054 68.868 0.170 0.000 0.874 90 T HN 0.641 nan 8.240 nan 0.000 0.466 91 G N 1.336 110.327 108.800 0.318 0.000 2.394 91 G HA2 -0.064 3.895 3.960 -0.001 0.000 0.215 91 G HA3 -0.064 3.895 3.960 -0.001 0.000 0.215 91 G C 1.512 176.457 174.900 0.074 0.000 1.165 91 G CA 0.246 45.431 45.100 0.140 0.000 0.784 91 G HN 0.477 nan 8.290 nan 0.000 0.535 92 I N 1.492 122.099 120.570 0.061 0.000 2.163 92 I HA -0.209 3.961 4.170 -0.001 0.000 0.243 92 I C 3.310 179.445 176.117 0.031 0.000 1.085 92 I CA 1.039 62.357 61.300 0.030 0.000 1.347 92 I CB -0.302 37.690 38.000 -0.013 0.000 1.044 92 I HN 0.240 nan 8.210 nan 0.000 0.408 93 A N 0.515 123.359 122.820 0.041 0.000 1.940 93 A HA -0.223 4.097 4.320 -0.001 0.000 0.219 93 A C 2.382 179.997 177.584 0.050 0.000 1.176 93 A CA 2.530 54.589 52.037 0.037 0.000 0.631 93 A CB -1.130 17.893 19.000 0.038 0.000 0.814 93 A HN 0.407 nan 8.150 nan 0.000 0.446 94 T N -0.535 114.075 114.554 0.092 0.000 2.684 94 T HA -0.166 4.184 4.350 -0.001 0.000 0.267 94 T C 2.286 177.011 174.700 0.042 0.000 1.036 94 T CA 1.890 64.045 62.100 0.092 0.000 1.148 94 T CB -0.385 68.581 68.868 0.163 0.000 0.863 94 T HN 0.580 nan 8.240 nan 0.000 0.436 95 S N 0.097 115.814 115.700 0.029 0.000 2.383 95 S HA -0.072 4.398 4.470 -0.001 0.000 0.227 95 S C 2.149 176.754 174.600 0.007 0.000 1.026 95 S CA 1.086 59.291 58.200 0.009 0.000 0.981 95 S CB -0.497 62.707 63.200 0.005 0.000 0.818 95 S HN 0.278 nan 8.310 nan 0.000 0.472 96 V N 0.886 120.807 119.914 0.012 0.000 2.453 96 V HA 0.064 4.184 4.120 -0.001 0.000 0.247 96 V C 2.144 178.238 176.094 -0.000 0.000 1.048 96 V CA 1.660 63.965 62.300 0.008 0.000 1.049 96 V CB -0.256 31.573 31.823 0.009 0.000 0.672 96 V HN 0.548 nan 8.190 nan 0.000 0.457 97 L N -0.543 120.677 121.223 -0.005 0.000 2.127 97 L HA 0.014 4.354 4.340 -0.001 0.000 0.203 97 L C 2.031 178.882 176.870 -0.031 0.000 1.080 97 L CA 1.295 56.123 54.840 -0.019 0.000 0.768 97 L CB -0.368 41.677 42.059 -0.024 0.000 0.924 97 L HN 0.296 nan 8.230 nan 0.000 0.444 98 D N 0.001 120.386 120.400 -0.026 0.000 2.347 98 D HA -0.000 4.639 4.640 -0.001 0.000 0.213 98 D C -0.200 176.086 176.300 -0.023 0.000 0.985 98 D CA 0.196 54.177 54.000 -0.033 0.000 0.879 98 D CB 0.212 40.993 40.800 -0.031 0.000 0.919 98 D HN 0.003 nan 8.370 nan 0.000 0.526 99 R N 0.324 120.814 120.500 -0.016 0.000 2.233 99 R HA -0.090 4.250 4.340 -0.001 0.000 0.355 99 R C -0.692 175.596 176.300 -0.020 0.000 1.099 99 R CA 0.195 56.288 56.100 -0.012 0.000 0.867 99 R CB -3.040 27.257 30.300 -0.005 0.000 2.603 99 R HN 0.328 nan 8.270 nan 0.000 0.487 100 S N 0.377 116.064 115.700 -0.021 0.000 2.533 100 S HA 0.703 5.173 4.470 -0.001 0.000 0.271 100 S C -2.942 171.646 174.600 -0.020 0.000 1.143 100 S CA -1.540 56.639 58.200 -0.034 0.000 0.891 100 S CB 3.585 66.749 63.200 -0.061 0.000 1.105 100 S HN 0.210 nan 8.310 nan 0.000 0.468 101 P HA 0.337 nan 4.420 nan 0.000 0.266 101 P C -0.838 176.457 177.300 -0.009 0.000 1.586 101 P CA -0.233 62.859 63.100 -0.013 0.000 1.088 101 P CB 0.388 32.078 31.700 -0.016 0.000 1.584 102 V N 5.550 125.466 119.914 0.003 0.000 2.459 102 V HA 0.309 4.429 4.120 -0.001 0.000 0.295 102 V C 0.493 176.611 176.094 0.040 0.000 1.029 102 V CA -0.771 61.540 62.300 0.018 0.000 0.874 102 V CB 2.081 33.912 31.823 0.013 0.000 0.985 102 V HN 0.300 nan 8.190 nan 0.000 0.438 103 I N 4.419 125.018 120.570 0.049 0.000 2.291 103 I HA 0.497 4.666 4.170 -0.001 0.000 0.290 103 I C 0.576 176.755 176.117 0.104 0.000 1.050 103 I CA -0.284 61.055 61.300 0.064 0.000 1.245 103 I CB 0.851 38.875 38.000 0.039 0.000 1.405 103 I HN 0.662 nan 8.210 nan 0.000 0.478 104 A N 8.317 131.217 122.820 0.133 0.000 2.274 104 A HA 0.816 5.135 4.320 -0.001 0.000 0.309 104 A C -0.432 177.222 177.584 0.115 0.000 1.226 104 A CA -0.443 51.700 52.037 0.176 0.000 0.853 104 A CB 0.640 19.789 19.000 0.249 0.000 1.146 104 A HN 0.681 nan 8.150 nan 0.000 0.518 105 L N 2.075 123.302 121.223 0.005 0.000 2.362 105 L HA 0.778 5.118 4.340 -0.001 0.000 0.275 105 L C 0.155 176.722 176.870 -0.505 0.000 0.998 105 L CA -0.377 54.286 54.840 -0.295 0.000 0.820 105 L CB 2.096 44.027 42.059 -0.213 0.000 1.270 105 L HN 0.776 nan 8.230 nan 0.000 0.415 106 A N 2.088 124.592 122.820 -0.526 0.000 2.449 106 A HA 0.911 5.231 4.320 -0.001 0.000 0.302 106 A C -0.349 176.981 177.584 -0.424 0.000 1.048 106 A CA -0.454 51.333 52.037 -0.416 0.000 0.708 106 A CB 1.630 20.681 19.000 0.085 0.000 1.274 106 A HN 0.768 nan 8.150 nan 0.000 0.410 107 A N 0.689 123.305 122.820 -0.340 0.000 2.386 107 A HA 0.596 4.916 4.320 -0.001 0.000 0.246 107 A C 0.131 177.670 177.584 -0.075 0.000 1.089 107 A CA 0.214 52.168 52.037 -0.138 0.000 0.790 107 A CB 0.460 19.474 19.000 0.024 0.000 1.042 107 A HN 1.137 nan 8.150 nan 0.000 0.497 108 Q N -0.207 119.562 119.800 -0.052 0.000 2.456 108 Q HA 0.518 4.857 4.340 -0.001 0.000 0.284 108 Q C -0.461 175.514 176.000 -0.041 0.000 1.061 108 Q CA -0.320 55.457 55.803 -0.043 0.000 0.799 108 Q CB 1.705 30.408 28.738 -0.058 0.000 1.445 108 Q HN 0.759 nan 8.270 nan 0.000 0.411 109 S N 1.777 117.449 115.700 -0.047 0.000 2.550 109 S HA -0.005 4.464 4.470 -0.001 0.000 0.285 109 S C -0.490 174.042 174.600 -0.113 0.000 1.326 109 S CA 0.064 58.227 58.200 -0.062 0.000 1.037 109 S CB 0.015 63.176 63.200 -0.065 0.000 0.838 109 S HN 0.556 nan 8.310 nan 0.000 0.519 110 E N 1.641 121.751 120.200 -0.151 0.000 2.502 110 E HA -0.015 4.335 4.350 -0.001 0.000 0.261 110 E C 1.383 177.761 176.600 -0.370 0.000 0.974 110 E CA 0.548 56.794 56.400 -0.256 0.000 0.936 110 E CB 0.341 29.819 29.700 -0.370 0.000 0.926 110 E HN 0.635 nan 8.360 nan 0.000 0.459 111 S N 2.914 118.462 115.700 -0.254 0.000 2.374 111 S HA -0.309 4.161 4.470 -0.001 0.000 0.227 111 S C 1.634 176.106 174.600 -0.214 0.000 1.037 111 S CA 1.851 59.945 58.200 -0.177 0.000 1.024 111 S CB -0.691 62.473 63.200 -0.060 0.000 0.861 111 S HN 0.787 nan 8.310 nan 0.000 0.456 112 H N -0.276 118.749 119.070 -0.076 0.000 2.559 112 H HA 0.382 4.938 4.556 -0.001 0.000 0.273 112 H C 0.929 176.187 175.328 -0.116 0.000 1.000 112 H CA 1.004 57.005 56.048 -0.077 0.000 1.195 112 H CB -0.389 29.368 29.762 -0.010 0.000 1.368 112 H HN 0.454 nan 8.280 nan 0.000 0.592 113 D N 0.242 120.386 120.400 -0.426 0.000 2.535 113 D HA 0.147 4.787 4.640 -0.001 0.000 0.229 113 D C -0.364 175.735 176.300 -0.335 0.000 1.238 113 D CA -0.325 53.544 54.000 -0.218 0.000 0.824 113 D CB -0.051 40.658 40.800 -0.151 0.000 1.045 113 D HN 0.384 nan 8.370 nan 0.000 0.500 114 I N 1.587 121.828 120.570 -0.548 0.000 2.389 114 I HA 0.128 4.298 4.170 -0.001 0.000 0.295 114 I C -0.566 175.147 176.117 -0.672 0.000 1.117 114 I CA 0.079 61.118 61.300 -0.434 0.000 1.317 114 I CB -0.068 37.755 38.000 -0.296 0.000 1.431 114 I HN -0.091 nan 8.210 nan 0.000 0.521 115 F N 7.206 127.149 119.950 -0.010 0.000 2.691 115 F HA 0.384 4.910 4.527 -0.001 0.000 0.371 115 F C -2.287 173.511 175.800 -0.003 0.000 1.159 115 F CA -2.715 55.285 58.000 -0.001 0.000 1.174 115 F CB 0.693 39.697 39.000 0.007 0.000 1.419 115 F HN 0.240 nan 8.300 nan 0.000 0.514 116 P HA 0.054 nan 4.420 nan 0.000 0.262 116 P C 0.107 177.449 177.300 0.070 0.000 1.182 116 P CA 0.710 63.845 63.100 0.058 0.000 0.761 116 P CB 0.406 32.123 31.700 0.028 0.000 0.795 117 N N 1.087 119.816 118.700 0.048 0.000 2.828 117 N HA -0.165 4.574 4.740 -0.001 0.000 0.248 117 N C 0.160 175.701 175.510 0.052 0.000 1.044 117 N CA 1.305 54.378 53.050 0.039 0.000 0.851 117 N CB -1.464 37.040 38.487 0.028 0.000 1.136 117 N HN 0.526 nan 8.380 nan 0.000 0.572 118 D N -1.192 119.258 120.400 0.083 0.000 2.559 118 D HA 0.073 4.713 4.640 -0.001 0.000 0.296 118 D C 0.114 176.477 176.300 0.104 0.000 1.118 118 D CA 0.603 54.649 54.000 0.077 0.000 0.967 118 D CB 0.027 40.864 40.800 0.061 0.000 1.607 118 D HN 0.030 nan 8.370 nan 0.000 0.493 119 T N 1.121 115.774 114.554 0.166 0.000 2.930 119 T HA 0.011 4.361 4.350 -0.001 0.000 0.306 119 T C 0.204 174.984 174.700 0.134 0.000 1.045 119 T CA 0.052 62.255 62.100 0.172 0.000 1.134 119 T CB 0.505 69.494 68.868 0.202 0.000 0.961 119 T HN 0.098 nan 8.240 nan 0.000 0.545 120 H N 2.969 122.071 119.070 0.053 0.000 3.192 120 H HA -0.052 4.504 4.556 -0.001 0.000 0.295 120 H C 1.059 176.406 175.328 0.033 0.000 0.943 120 H CA 1.143 57.214 56.048 0.037 0.000 1.416 120 H CB -0.103 29.679 29.762 0.033 0.000 1.434 120 H HN 0.779 nan 8.280 nan 0.000 0.565 121 Q N 1.378 120.938 119.800 -0.399 0.000 2.452 121 Q HA -0.272 4.067 4.340 -0.001 0.000 0.248 121 Q C -0.453 175.474 176.000 -0.122 0.000 0.874 121 Q CA 1.010 56.625 55.803 -0.313 0.000 1.208 121 Q CB -1.830 26.664 28.738 -0.407 0.000 1.569 121 Q HN 0.608 nan 8.270 nan 0.000 0.579 122 C N 1.395 120.660 119.300 -0.058 0.000 2.246 122 C HA 0.641 5.101 4.460 -0.001 0.000 0.329 122 C C 0.252 175.235 174.990 -0.012 0.000 1.221 122 C CA -0.483 58.523 59.018 -0.020 0.000 1.697 122 C CB -0.435 27.315 27.740 0.016 0.000 2.312 122 C HN 0.334 nan 8.230 nan 0.000 0.509 123 L N 4.349 125.561 121.223 -0.019 0.000 2.319 123 L HA 0.444 4.783 4.340 -0.001 0.000 0.267 123 L C 0.068 176.931 176.870 -0.011 0.000 1.011 123 L CA -0.515 54.316 54.840 -0.016 0.000 0.818 123 L CB 1.226 43.269 42.059 -0.027 0.000 1.316 123 L HN 0.483 nan 8.230 nan 0.000 0.432 124 D N 0.425 120.818 120.400 -0.012 0.000 2.498 124 D HA 0.071 4.711 4.640 -0.001 0.000 0.229 124 D C 0.884 177.177 176.300 -0.012 0.000 1.188 124 D CA 0.228 54.222 54.000 -0.010 0.000 1.028 124 D CB 0.728 41.521 40.800 -0.011 0.000 1.087 124 D HN 0.439 nan 8.370 nan 0.000 0.510 125 S N 1.134 116.844 115.700 0.017 0.000 2.359 125 S HA -0.145 4.325 4.470 -0.001 0.000 0.224 125 S C 2.175 176.790 174.600 0.024 0.000 1.035 125 S CA 0.753 58.972 58.200 0.031 0.000 1.018 125 S CB 0.037 63.365 63.200 0.215 0.000 0.876 125 S HN 0.439 nan 8.310 nan 0.000 0.448 126 V N 2.021 122.010 119.914 0.125 0.000 2.343 126 V HA -0.216 3.903 4.120 -0.001 0.000 0.247 126 V C 2.649 178.739 176.094 -0.007 0.000 1.051 126 V CA 1.738 64.100 62.300 0.103 0.000 1.036 126 V CB -1.236 30.625 31.823 0.062 0.000 0.654 126 V HN 0.555 nan 8.190 nan 0.000 0.451 127 A N -0.262 122.545 122.820 -0.022 0.000 1.933 127 A HA -0.147 4.173 4.320 -0.001 0.000 0.218 127 A C 2.164 179.712 177.584 -0.060 0.000 1.175 127 A CA 1.806 53.822 52.037 -0.036 0.000 0.628 127 A CB -0.513 18.471 19.000 -0.027 0.000 0.814 127 A HN 0.525 nan 8.150 nan 0.000 0.444 128 I N -0.767 119.752 120.570 -0.084 0.000 2.315 128 I HA -0.159 4.011 4.170 -0.001 0.000 0.248 128 I C 2.033 178.056 176.117 -0.156 0.000 1.117 128 I CA 0.976 62.210 61.300 -0.111 0.000 1.404 128 I CB -0.029 37.897 38.000 -0.122 0.000 1.071 128 I HN 0.147 nan 8.210 nan 0.000 0.419 129 V N 0.334 120.109 119.914 -0.232 0.000 2.992 129 V HA 0.052 4.171 4.120 -0.001 0.000 0.250 129 V C 2.550 178.556 176.094 -0.146 0.000 1.090 129 V CA 1.066 63.188 62.300 -0.297 0.000 1.101 129 V CB -0.272 31.113 31.823 -0.730 0.000 0.743 129 V HN 0.387 nan 8.190 nan 0.000 0.468 130 A N 1.344 124.112 122.820 -0.087 0.000 1.903 130 A HA -0.189 4.131 4.320 -0.001 0.000 0.219 130 A C 0.456 178.020 177.584 -0.033 0.000 1.191 130 A CA 2.428 54.440 52.037 -0.041 0.000 0.638 130 A CB -1.924 17.054 19.000 -0.036 0.000 0.823 130 A HN 0.560 nan 8.150 nan 0.000 0.451 131 P HA -0.044 nan 4.420 nan 0.000 0.230 131 P C 0.936 178.221 177.300 -0.024 0.000 1.158 131 P CA 1.235 64.318 63.100 -0.028 0.000 0.769 131 P CB -0.121 31.560 31.700 -0.032 0.000 0.807 132 M N -2.785 116.794 119.600 -0.035 0.000 2.778 132 M HA 0.417 4.897 4.480 -0.001 0.000 0.359 132 M C -0.452 175.841 176.300 -0.011 0.000 1.216 132 M CA -0.437 54.848 55.300 -0.026 0.000 0.935 132 M CB 0.544 33.120 32.600 -0.040 0.000 1.330 132 M HN -0.264 nan 8.290 nan 0.000 0.516 133 S N -1.430 114.274 115.700 0.006 0.000 2.625 133 S HA 0.568 5.038 4.470 -0.001 0.000 0.271 133 S C 0.161 174.799 174.600 0.063 0.000 1.161 133 S CA -0.984 57.241 58.200 0.041 0.000 0.820 133 S CB 1.595 64.832 63.200 0.062 0.000 1.137 133 S HN 0.177 nan 8.310 nan 0.000 0.470 134 K N -0.304 120.154 120.400 0.095 0.000 2.305 134 K HA 0.222 4.542 4.320 -0.001 0.000 0.199 134 K C -0.489 176.227 176.600 0.194 0.000 1.047 134 K CA 0.945 57.299 56.287 0.111 0.000 0.976 134 K CB -0.381 32.174 32.500 0.092 0.000 0.765 134 K HN 0.728 nan 8.250 nan 0.000 0.474 135 Y N -0.939 119.381 120.300 0.035 0.000 2.393 135 Y HA 0.403 4.953 4.550 -0.001 0.000 0.320 135 Y C -2.142 173.804 175.900 0.077 0.000 1.241 135 Y CA -1.070 57.052 58.100 0.038 0.000 1.122 135 Y CB 1.191 39.662 38.460 0.020 0.000 1.322 135 Y HN -0.058 nan 8.280 nan 0.000 0.441 136 A N 4.846 127.447 122.820 -0.364 0.000 2.488 136 A HA 0.817 5.136 4.320 -0.001 0.000 0.295 136 A C -2.202 175.172 177.584 -0.349 0.000 1.045 136 A CA -0.397 51.549 52.037 -0.151 0.000 0.703 136 A CB 1.594 20.635 19.000 0.069 0.000 1.271 136 A HN 1.289 nan 8.150 nan 0.000 0.400 137 V N 1.373 121.122 119.914 -0.275 0.000 3.120 137 V HA 0.638 4.757 4.120 -0.001 0.000 0.303 137 V C -1.215 174.764 176.094 -0.192 0.000 1.238 137 V CA -0.468 61.672 62.300 -0.266 0.000 1.008 137 V CB 2.072 33.688 31.823 -0.345 0.000 1.064 137 V HN 1.035 nan 8.190 nan 0.000 0.434 138 E N 3.804 123.921 120.200 -0.139 0.000 2.158 138 E HA 0.443 4.793 4.350 -0.001 0.000 0.271 138 E C -1.090 175.445 176.600 -0.107 0.000 0.911 138 E CA -0.866 55.456 56.400 -0.130 0.000 0.767 138 E CB 1.810 31.456 29.700 -0.089 0.000 1.120 138 E HN 0.675 nan 8.360 nan 0.000 0.405 139 L N 4.339 125.495 121.223 -0.111 0.000 2.540 139 L HA -0.052 4.287 4.340 -0.001 0.000 0.276 139 L C 0.434 177.263 176.870 -0.068 0.000 1.212 139 L CA 1.266 56.057 54.840 -0.082 0.000 0.893 139 L CB 0.538 42.552 42.059 -0.074 0.000 1.138 139 L HN 0.769 nan 8.230 nan 0.000 0.491 140 Q N 3.411 123.174 119.800 -0.062 0.000 2.471 140 Q HA 0.303 4.643 4.340 -0.001 0.000 0.259 140 Q C -0.156 175.823 176.000 -0.036 0.000 0.850 140 Q CA 0.085 55.860 55.803 -0.047 0.000 0.981 140 Q CB 0.766 29.479 28.738 -0.043 0.000 1.180 140 Q HN 0.574 nan 8.270 nan 0.000 0.571 141 R N 0.734 121.196 120.500 -0.064 0.000 2.388 141 R HA 0.242 4.581 4.340 -0.001 0.000 0.314 141 R C -2.223 174.016 176.300 -0.102 0.000 0.959 141 R CA -1.815 54.251 56.100 -0.057 0.000 0.851 141 R CB 1.433 31.689 30.300 -0.074 0.000 1.168 141 R HN -0.094 nan 8.270 nan 0.000 0.472 142 P HA -0.282 nan 4.420 nan 0.000 0.218 142 P C 0.903 178.208 177.300 0.009 0.000 1.154 142 P CA 1.458 64.567 63.100 0.015 0.000 0.872 142 P CB 0.032 31.769 31.700 0.062 0.000 0.790 143 H N -0.701 118.381 119.070 0.020 0.000 2.524 143 H HA 0.063 4.618 4.556 -0.001 0.000 0.282 143 H C 1.167 176.511 175.328 0.027 0.000 1.016 143 H CA 0.908 56.970 56.048 0.024 0.000 1.270 143 H CB -0.694 29.080 29.762 0.019 0.000 1.394 143 H HN 0.234 nan 8.280 nan 0.000 0.568 144 E N 0.344 120.247 120.200 -0.495 0.000 2.482 144 E HA -0.025 4.324 4.350 -0.001 0.000 0.196 144 E C 1.785 178.324 176.600 -0.101 0.000 1.047 144 E CA 0.164 56.382 56.400 -0.305 0.000 0.869 144 E CB 0.013 29.514 29.700 -0.331 0.000 0.836 144 E HN 0.289 nan 8.360 nan 0.000 0.520 145 I N 1.078 121.613 120.570 -0.057 0.000 2.335 145 I HA -0.290 3.879 4.170 -0.001 0.000 0.251 145 I C 1.925 178.054 176.117 0.021 0.000 1.129 145 I CA 1.602 62.898 61.300 -0.007 0.000 1.402 145 I CB -0.271 37.738 38.000 0.015 0.000 1.069 145 I HN 0.002 nan 8.210 nan 0.000 0.424 146 T N 0.627 115.201 114.554 0.033 0.000 2.708 146 T HA -0.212 4.138 4.350 -0.001 0.000 0.266 146 T C 1.430 176.159 174.700 0.048 0.000 1.037 146 T CA 1.827 63.959 62.100 0.053 0.000 1.146 146 T CB -0.621 68.284 68.868 0.062 0.000 0.865 146 T HN 0.708 nan 8.240 nan 0.000 0.435 147 D N 1.109 121.527 120.400 0.031 0.000 2.224 147 D HA -0.030 4.609 4.640 -0.001 0.000 0.205 147 D C 1.965 178.275 176.300 0.017 0.000 0.965 147 D CA 0.618 54.633 54.000 0.026 0.000 0.852 147 D CB -0.642 40.172 40.800 0.024 0.000 0.947 147 D HN 0.339 nan 8.370 nan 0.000 0.494 148 L N 0.240 121.478 121.223 0.026 0.000 2.072 148 L HA -0.087 4.253 4.340 -0.001 0.000 0.205 148 L C 2.528 179.401 176.870 0.006 0.000 1.079 148 L CA 0.556 55.433 54.840 0.062 0.000 0.752 148 L CB -0.394 41.705 42.059 0.067 0.000 0.906 148 L HN 0.051 nan 8.230 nan 0.000 0.436 149 V N 0.023 119.938 119.914 0.002 0.000 2.287 149 V HA -0.308 3.811 4.120 -0.001 0.000 0.248 149 V C 2.145 178.168 176.094 -0.118 0.000 1.053 149 V CA 1.989 64.270 62.300 -0.031 0.000 1.027 149 V CB -0.558 31.289 31.823 0.041 0.000 0.646 149 V HN 0.430 nan 8.190 nan 0.000 0.447 150 D N 0.035 120.415 120.400 -0.035 0.000 2.097 150 D HA -0.122 4.518 4.640 -0.001 0.000 0.195 150 D C 2.453 178.648 176.300 -0.174 0.000 0.989 150 D CA 1.742 55.723 54.000 -0.032 0.000 0.827 150 D CB -0.318 40.523 40.800 0.068 0.000 0.966 150 D HN 0.376 nan 8.370 nan 0.000 0.456 151 S N 0.241 115.801 115.700 -0.234 0.000 2.383 151 S HA -0.076 4.393 4.470 -0.001 0.000 0.227 151 S C 2.053 176.157 174.600 -0.828 0.000 1.026 151 S CA 0.909 58.849 58.200 -0.434 0.000 0.981 151 S CB -0.127 62.852 63.200 -0.368 0.000 0.818 151 S HN 0.358 nan 8.310 nan 0.000 0.472 152 A N 1.093 123.433 122.820 -0.799 0.000 1.902 152 A HA -0.045 4.275 4.320 -0.001 0.000 0.217 152 A C 2.320 179.697 177.584 -0.344 0.000 1.181 152 A CA 1.472 53.140 52.037 -0.615 0.000 0.623 152 A CB -0.859 18.021 19.000 -0.200 0.000 0.818 152 A HN 0.344 nan 8.150 nan 0.000 0.443 153 V N 0.871 120.588 119.914 -0.329 0.000 2.358 153 V HA -0.237 3.882 4.120 -0.001 0.000 0.246 153 V C 2.320 178.291 176.094 -0.205 0.000 1.047 153 V CA 2.051 64.171 62.300 -0.299 0.000 1.035 153 V CB -0.984 30.500 31.823 -0.566 0.000 0.658 153 V HN 0.537 nan 8.190 nan 0.000 0.452 154 N N 0.700 119.279 118.700 -0.203 0.000 2.094 154 N HA -0.170 4.570 4.740 -0.001 0.000 0.191 154 N C 1.823 177.266 175.510 -0.112 0.000 1.023 154 N CA 1.894 54.867 53.050 -0.130 0.000 0.857 154 N CB -0.476 37.938 38.487 -0.123 0.000 1.013 154 N HN 0.513 nan 8.380 nan 0.000 0.426 155 A N 0.586 123.311 122.820 -0.159 0.000 1.898 155 A HA 0.203 4.523 4.320 -0.001 0.000 0.214 155 A C 2.337 179.898 177.584 -0.037 0.000 1.183 155 A CA 1.517 53.509 52.037 -0.076 0.000 0.622 155 A CB -0.742 18.227 19.000 -0.053 0.000 0.824 155 A HN 0.293 nan 8.150 nan 0.000 0.444 156 A N -0.907 121.879 122.820 -0.057 0.000 1.940 156 A HA -0.096 4.224 4.320 -0.001 0.000 0.219 156 A C 1.828 179.397 177.584 -0.026 0.000 1.176 156 A CA 1.804 53.824 52.037 -0.029 0.000 0.631 156 A CB -0.373 18.601 19.000 -0.042 0.000 0.814 156 A HN 0.392 nan 8.150 nan 0.000 0.446 157 M N 0.771 120.348 119.600 -0.038 0.000 2.551 157 M HA 0.134 4.614 4.480 -0.001 0.000 0.252 157 M C -0.524 175.767 176.300 -0.015 0.000 1.219 157 M CA 0.475 55.761 55.300 -0.023 0.000 0.978 157 M CB -0.655 31.930 32.600 -0.024 0.000 1.533 157 M HN 0.141 nan 8.290 nan 0.000 0.474 158 T N 1.058 115.604 114.554 -0.014 0.000 2.797 158 T HA 0.290 4.640 4.350 -0.001 0.000 0.279 158 T C 0.327 175.025 174.700 -0.003 0.000 0.991 158 T CA -0.653 61.442 62.100 -0.008 0.000 0.979 158 T CB 1.950 70.814 68.868 -0.007 0.000 0.943 158 T HN 0.112 nan 8.240 nan 0.000 0.444 159 E N 4.047 124.244 120.200 -0.005 0.000 2.414 159 E HA 0.132 4.482 4.350 -0.001 0.000 0.263 159 E C -2.134 174.466 176.600 -0.000 0.000 1.000 159 E CA -1.652 54.745 56.400 -0.004 0.000 0.914 159 E CB 0.381 30.075 29.700 -0.011 0.000 0.948 159 E HN 0.356 nan 8.360 nan 0.000 0.444 160 P HA 0.027 nan 4.420 nan 0.000 0.282 160 P C 0.029 177.332 177.300 0.005 0.000 1.262 160 P CA -0.370 62.733 63.100 0.004 0.000 0.773 160 P CB 0.632 32.335 31.700 0.006 0.000 0.879 161 V N 1.415 121.331 119.914 0.004 0.000 2.999 161 V HA 0.725 4.844 4.120 -0.001 0.000 0.307 161 V C 0.568 176.664 176.094 0.004 0.000 1.084 161 V CA 0.460 62.761 62.300 0.003 0.000 1.155 161 V CB -0.020 31.803 31.823 0.001 0.000 0.975 161 V HN 0.898 nan 8.190 nan 0.000 0.490 162 G N 2.953 111.757 108.800 0.007 0.000 2.489 162 G HA2 0.623 4.583 3.960 -0.001 0.000 0.305 162 G HA3 0.623 4.583 3.960 -0.001 0.000 0.305 162 G C -3.491 171.423 174.900 0.024 0.000 1.311 162 G CA -0.597 44.511 45.100 0.014 0.000 0.813 162 G HN 0.738 nan 8.290 nan 0.000 0.480 163 P HA 0.490 nan 4.420 nan 0.000 0.286 163 P C -0.716 176.646 177.300 0.102 0.000 1.261 163 P CA -0.235 62.901 63.100 0.060 0.000 0.821 163 P CB 1.852 33.587 31.700 0.060 0.000 1.013 164 S N 1.798 117.575 115.700 0.128 0.000 2.482 164 S HA 0.582 5.051 4.470 -0.001 0.000 0.303 164 S C -0.935 173.824 174.600 0.265 0.000 1.091 164 S CA -0.337 57.995 58.200 0.221 0.000 1.057 164 S CB 0.591 63.895 63.200 0.172 0.000 1.031 164 S HN 0.429 nan 8.310 nan 0.000 0.485 165 F N 3.459 123.480 119.950 0.119 0.000 2.458 165 F HA 0.700 5.227 4.527 -0.001 0.000 0.336 165 F C -1.163 174.657 175.800 0.032 0.000 1.114 165 F CA -1.059 56.963 58.000 0.037 0.000 0.987 165 F CB 0.599 39.589 39.000 -0.015 0.000 1.130 165 F HN 0.436 nan 8.300 nan 0.000 0.458 166 I N 4.844 124.975 120.570 -0.732 0.000 2.418 166 I HA 0.251 4.421 4.170 -0.001 0.000 0.287 166 I C -0.438 175.040 176.117 -1.065 0.000 1.008 166 I CA -0.767 60.124 61.300 -0.680 0.000 1.104 166 I CB 1.853 39.694 38.000 -0.265 0.000 1.264 166 I HN 0.526 nan 8.210 nan 0.000 0.438 167 S N 7.085 122.268 115.700 -0.861 0.000 2.499 167 S HA 0.645 5.114 4.470 -0.001 0.000 0.279 167 S C -0.570 173.851 174.600 -0.298 0.000 1.219 167 S CA -0.444 57.429 58.200 -0.546 0.000 1.062 167 S CB 0.375 63.439 63.200 -0.226 0.000 0.978 167 S HN 0.471 nan 8.310 nan 0.000 0.489 168 L N 6.811 127.890 121.223 -0.240 0.000 2.384 168 L HA 0.399 4.738 4.340 -0.001 0.000 0.261 168 L C -2.472 174.350 176.870 -0.080 0.000 1.024 168 L CA -2.035 52.719 54.840 -0.144 0.000 0.899 168 L CB 1.613 43.591 42.059 -0.135 0.000 1.243 168 L HN 0.443 nan 8.230 nan 0.000 0.449 169 P HA 0.009 nan 4.420 nan 0.000 0.267 169 P C 1.191 178.479 177.300 -0.021 0.000 1.205 169 P CA -0.065 63.002 63.100 -0.055 0.000 0.765 169 P CB 1.161 32.819 31.700 -0.070 0.000 0.828 170 V N 3.379 123.289 119.914 -0.007 0.000 2.380 170 V HA -0.277 3.843 4.120 -0.001 0.000 0.251 170 V C 2.037 178.147 176.094 0.025 0.000 1.063 170 V CA 2.506 64.822 62.300 0.026 0.000 1.055 170 V CB -1.070 30.774 31.823 0.034 0.000 0.657 170 V HN 0.672 nan 8.190 nan 0.000 0.455 171 D N 0.313 120.722 120.400 0.016 0.000 2.117 171 D HA -0.196 4.444 4.640 -0.001 0.000 0.197 171 D C 1.972 178.292 176.300 0.034 0.000 0.987 171 D CA 1.503 55.526 54.000 0.038 0.000 0.829 171 D CB -0.496 40.346 40.800 0.070 0.000 0.961 171 D HN 0.458 nan 8.370 nan 0.000 0.460 172 L N -0.505 120.730 121.223 0.020 0.000 2.179 172 L HA -0.021 4.319 4.340 -0.001 0.000 0.208 172 L C 2.634 179.517 176.870 0.022 0.000 1.096 172 L CA 0.174 55.025 54.840 0.019 0.000 0.779 172 L CB -0.427 41.634 42.059 0.003 0.000 0.922 172 L HN 0.025 nan 8.230 nan 0.000 0.443 173 L N 0.737 121.975 121.223 0.025 0.000 2.079 173 L HA -0.100 4.240 4.340 -0.001 0.000 0.210 173 L C 2.043 178.928 176.870 0.026 0.000 1.081 173 L CA 1.958 56.822 54.840 0.040 0.000 0.752 173 L CB -0.888 41.214 42.059 0.072 0.000 0.896 173 L HN 0.153 nan 8.230 nan 0.000 0.433 174 G N -1.659 107.154 108.800 0.022 0.000 3.233 174 G HA2 0.075 4.034 3.960 -0.001 0.000 0.227 174 G HA3 0.075 4.034 3.960 -0.001 0.000 0.227 174 G C 0.389 175.297 174.900 0.014 0.000 1.175 174 G CA 0.482 45.589 45.100 0.011 0.000 0.781 174 G HN 0.356 nan 8.290 nan 0.000 0.542 175 S N -0.156 115.557 115.700 0.022 0.000 2.525 175 S HA 0.440 4.910 4.470 -0.001 0.000 0.290 175 S C 1.338 175.954 174.600 0.026 0.000 1.152 175 S CA 0.104 58.319 58.200 0.025 0.000 1.072 175 S CB 1.475 64.694 63.200 0.033 0.000 1.027 175 S HN 0.273 nan 8.310 nan 0.000 0.500 176 S N 2.169 117.881 115.700 0.020 0.000 2.540 176 S HA 0.194 4.664 4.470 -0.001 0.000 0.218 176 S C 0.230 174.846 174.600 0.026 0.000 0.977 176 S CA -0.355 57.855 58.200 0.017 0.000 0.918 176 S CB -0.205 62.993 63.200 -0.004 0.000 0.806 176 S HN 0.769 nan 8.310 nan 0.000 0.496 177 E N 2.185 122.406 120.200 0.036 0.000 2.498 177 E HA 0.370 4.720 4.350 -0.001 0.000 0.252 177 E C 1.303 177.941 176.600 0.064 0.000 1.025 177 E CA 1.128 57.552 56.400 0.040 0.000 0.938 177 E CB -0.559 29.170 29.700 0.048 0.000 0.947 177 E HN 0.505 nan 8.360 nan 0.000 0.478 178 G N 4.108 112.915 108.800 0.012 0.000 2.184 178 G HA2 -0.304 3.656 3.960 -0.001 0.000 0.264 178 G HA3 -0.304 3.656 3.960 -0.001 0.000 0.264 178 G C 0.260 175.148 174.900 -0.019 0.000 0.975 178 G CA 0.234 45.299 45.100 -0.059 0.000 0.642 178 G HN 0.536 nan 8.290 nan 0.000 0.536 179 I N 1.376 121.966 120.570 0.033 0.000 2.325 179 I HA 0.411 4.580 4.170 -0.001 0.000 0.291 179 I C -0.510 175.611 176.117 0.007 0.000 1.019 179 I CA -0.433 60.894 61.300 0.046 0.000 1.302 179 I CB 1.451 39.486 38.000 0.059 0.000 1.401 179 I HN 0.029 nan 8.210 nan 0.000 0.485 180 D N 4.362 124.766 120.400 0.007 0.000 2.421 180 D HA 0.101 4.741 4.640 -0.001 0.000 0.254 180 D C 0.483 176.786 176.300 0.004 0.000 1.238 180 D CA -0.256 53.739 54.000 -0.008 0.000 0.919 180 D CB 1.575 42.365 40.800 -0.017 0.000 1.152 180 D HN 0.432 nan 8.370 nan 0.000 0.552 181 T N 1.212 115.761 114.554 -0.008 0.000 3.129 181 T HA -0.036 4.314 4.350 -0.001 0.000 0.251 181 T C 1.618 176.320 174.700 0.005 0.000 1.117 181 T CA 1.487 63.590 62.100 0.006 0.000 1.034 181 T CB 0.064 68.913 68.868 -0.032 0.000 0.968 181 T HN 0.483 nan 8.240 nan 0.000 0.526 182 T N -1.099 113.452 114.554 -0.005 0.000 3.043 182 T HA 0.184 4.534 4.350 -0.001 0.000 0.263 182 T C 0.722 175.424 174.700 0.003 0.000 1.094 182 T CA 0.065 62.163 62.100 -0.003 0.000 1.127 182 T CB -0.263 68.599 68.868 -0.010 0.000 0.905 182 T HN 0.117 nan 8.240 nan 0.000 0.490 183 V N 4.521 124.438 119.914 0.005 0.000 2.405 183 V HA 0.313 4.433 4.120 -0.001 0.000 0.264 183 V C -2.092 174.011 176.094 0.016 0.000 1.048 183 V CA -1.889 60.416 62.300 0.008 0.000 0.966 183 V CB 0.427 32.253 31.823 0.006 0.000 1.015 183 V HN 0.358 nan 8.190 nan 0.000 0.477 184 P HA 0.158 nan 4.420 nan 0.000 0.269 184 P C -0.186 177.124 177.300 0.017 0.000 1.209 184 P CA -0.428 62.682 63.100 0.016 0.000 0.776 184 P CB 0.378 32.084 31.700 0.009 0.000 0.876 185 N N 2.751 121.462 118.700 0.018 0.000 2.407 185 N HA 0.086 4.825 4.740 -0.001 0.000 0.250 185 N C -1.910 173.601 175.510 0.002 0.000 1.236 185 N CA -0.708 52.350 53.050 0.013 0.000 0.879 185 N CB -0.811 37.680 38.487 0.006 0.000 1.088 185 N HN 0.373 nan 8.380 nan 0.000 0.450 186 P HA 0.221 nan 4.420 nan 0.000 0.271 186 P C -2.487 174.799 177.300 -0.022 0.000 1.233 186 P CA -0.845 62.254 63.100 -0.002 0.000 0.789 186 P CB -0.581 31.124 31.700 0.008 0.000 0.951 187 P HA 0.013 nan 4.420 nan 0.000 0.265 187 P C 0.606 177.864 177.300 -0.070 0.000 1.187 187 P CA 0.228 63.302 63.100 -0.044 0.000 0.766 187 P CB 0.198 31.883 31.700 -0.026 0.000 0.820 188 A N 3.489 126.222 122.820 -0.146 0.000 1.929 188 A HA -0.129 4.191 4.320 -0.001 0.000 0.216 188 A C 0.783 178.311 177.584 -0.095 0.000 1.176 188 A CA 0.852 52.722 52.037 -0.279 0.000 0.628 188 A CB -0.998 17.606 19.000 -0.659 0.000 0.816 188 A HN 0.652 nan 8.150 nan 0.000 0.444 189 N N 0.327 118.995 118.700 -0.054 0.000 2.727 189 N HA -0.117 4.623 4.740 -0.001 0.000 0.249 189 N C -0.529 175.014 175.510 0.056 0.000 1.048 189 N CA 1.329 54.383 53.050 0.006 0.000 0.714 189 N CB -2.133 36.364 38.487 0.016 0.000 0.959 189 N HN 0.524 nan 8.380 nan 0.000 0.544 190 T N 1.477 116.079 114.554 0.079 0.000 2.871 190 T HA 0.180 4.529 4.350 -0.001 0.000 0.296 190 T C -1.770 172.978 174.700 0.079 0.000 0.998 190 T CA -0.532 61.663 62.100 0.157 0.000 1.162 190 T CB 0.533 69.526 68.868 0.208 0.000 0.947 190 T HN 0.070 nan 8.240 nan 0.000 0.536 191 P HA 0.194 nan 4.420 nan 0.000 0.264 191 P C 0.521 177.842 177.300 0.036 0.000 1.193 191 P CA -0.218 62.904 63.100 0.037 0.000 0.763 191 P CB 0.420 32.133 31.700 0.023 0.000 0.810 192 A N 4.235 127.073 122.820 0.030 0.000 1.933 192 A HA -0.108 4.212 4.320 -0.001 0.000 0.218 192 A C 0.879 178.481 177.584 0.030 0.000 1.175 192 A CA 1.467 53.522 52.037 0.030 0.000 0.628 192 A CB -0.550 18.466 19.000 0.026 0.000 0.814 192 A HN 0.671 nan 8.150 nan 0.000 0.444 193 K N -1.927 118.488 120.400 0.025 0.000 2.522 193 K HA 0.574 4.893 4.320 -0.001 0.000 0.275 193 K C -3.434 173.176 176.600 0.016 0.000 1.006 193 K CA -2.242 54.060 56.287 0.024 0.000 0.890 193 K CB 0.743 33.258 32.500 0.024 0.000 1.475 193 K HN -0.229 nan 8.250 nan 0.000 0.441 194 P HA -0.009 nan 4.420 nan 0.000 0.265 194 P C -0.576 176.723 177.300 -0.002 0.000 1.193 194 P CA -0.373 62.730 63.100 0.005 0.000 0.765 194 P CB 0.510 32.214 31.700 0.007 0.000 0.823 195 V N 3.649 123.560 119.914 -0.004 0.000 2.585 195 V HA 0.334 4.454 4.120 -0.001 0.000 0.296 195 V C 1.207 177.291 176.094 -0.016 0.000 1.035 195 V CA 0.675 62.969 62.300 -0.009 0.000 1.084 195 V CB 0.328 32.147 31.823 -0.006 0.000 0.953 195 V HN 0.769 nan 8.190 nan 0.000 0.483 196 G N 3.299 112.083 108.800 -0.028 0.000 2.454 196 G HA2 0.603 4.562 3.960 -0.001 0.000 0.329 196 G HA3 0.603 4.562 3.960 -0.001 0.000 0.329 196 G C -0.899 173.975 174.900 -0.044 0.000 1.177 196 G CA -0.647 44.427 45.100 -0.043 0.000 0.951 196 G HN 0.569 nan 8.290 nan 0.000 0.485 197 V N 0.214 120.100 119.914 -0.047 0.000 2.546 197 V HA 0.465 4.585 4.120 -0.001 0.000 0.284 197 V C -0.088 175.963 176.094 -0.071 0.000 1.050 197 V CA -0.370 61.906 62.300 -0.040 0.000 0.981 197 V CB 1.280 33.086 31.823 -0.028 0.000 0.990 197 V HN 0.453 nan 8.190 nan 0.000 0.474 198 V N 3.543 123.428 119.914 -0.048 0.000 2.623 198 V HA 0.703 4.823 4.120 -0.001 0.000 0.304 198 V C 0.173 176.290 176.094 0.039 0.000 1.054 198 V CA -0.639 61.624 62.300 -0.061 0.000 0.882 198 V CB 1.785 33.569 31.823 -0.065 0.000 1.002 198 V HN 1.017 nan 8.190 nan 0.000 0.424 199 A N 2.780 125.646 122.820 0.077 0.000 2.310 199 A HA 0.591 4.911 4.320 -0.001 0.000 0.299 199 A C -0.088 177.620 177.584 0.208 0.000 1.147 199 A CA -0.343 51.765 52.037 0.117 0.000 0.818 199 A CB 0.496 19.548 19.000 0.086 0.000 1.096 199 A HN 0.942 nan 8.150 nan 0.000 0.495 200 D N 1.319 121.796 120.400 0.129 0.000 2.488 200 D HA 0.350 4.990 4.640 -0.001 0.000 0.238 200 D C 1.366 177.708 176.300 0.070 0.000 1.138 200 D CA 2.016 56.074 54.000 0.097 0.000 0.873 200 D CB 0.268 41.098 40.800 0.049 0.000 1.183 200 D HN 1.292 nan 8.370 nan 0.000 0.458 201 G N 3.594 112.393 108.800 -0.003 0.000 2.148 201 G HA2 -0.278 3.682 3.960 -0.001 0.000 0.254 201 G HA3 -0.278 3.682 3.960 -0.001 0.000 0.254 201 G C 1.071 175.944 174.900 -0.045 0.000 0.981 201 G CA 0.517 45.580 45.100 -0.063 0.000 0.670 201 G HN 0.719 nan 8.290 nan 0.000 0.528 202 W N 0.194 121.471 121.300 -0.038 0.000 2.374 202 W HA -0.118 4.542 4.660 -0.001 0.000 0.288 202 W C 1.484 177.955 176.519 -0.080 0.000 1.218 202 W CA 1.452 58.771 57.345 -0.044 0.000 1.245 202 W CB -0.718 28.722 29.460 -0.034 0.000 1.126 202 W HN 0.400 nan 8.180 nan 0.000 0.545 203 Q N 1.439 120.632 119.800 -1.012 0.000 2.084 203 Q HA -0.180 4.160 4.340 -0.001 0.000 0.202 203 Q C 2.313 178.074 176.000 -0.399 0.000 0.978 203 Q CA 2.484 57.593 55.803 -1.157 0.000 0.844 203 Q CB -0.615 27.372 28.738 -1.252 0.000 0.898 203 Q HN 0.360 nan 8.270 nan 0.000 0.426 204 K N 0.214 120.480 120.400 -0.223 0.000 2.057 204 K HA -0.111 4.208 4.320 -0.001 0.000 0.207 204 K C 1.991 178.606 176.600 0.025 0.000 1.049 204 K CA 1.145 57.397 56.287 -0.059 0.000 0.931 204 K CB -0.183 32.287 32.500 -0.051 0.000 0.714 204 K HN 0.215 nan 8.250 nan 0.000 0.440 205 A N 1.111 123.959 122.820 0.046 0.000 1.902 205 A HA -0.116 4.204 4.320 -0.001 0.000 0.217 205 A C 2.334 180.035 177.584 0.196 0.000 1.181 205 A CA 1.884 53.984 52.037 0.105 0.000 0.623 205 A CB -0.830 18.233 19.000 0.105 0.000 0.818 205 A HN 0.485 nan 8.150 nan 0.000 0.443 206 A N 0.006 122.994 122.820 0.279 0.000 1.933 206 A HA -0.188 4.132 4.320 -0.001 0.000 0.218 206 A C 1.745 179.609 177.584 0.467 0.000 1.175 206 A CA 1.914 54.266 52.037 0.524 0.000 0.628 206 A CB -0.586 18.804 19.000 0.649 0.000 0.814 206 A HN 0.467 nan 8.150 nan 0.000 0.444 207 D N -0.308 120.267 120.400 0.292 0.000 2.117 207 D HA -0.154 4.485 4.640 -0.001 0.000 0.197 207 D C 2.184 178.591 176.300 0.179 0.000 0.987 207 D CA 1.467 55.590 54.000 0.205 0.000 0.829 207 D CB -0.443 40.438 40.800 0.135 0.000 0.961 207 D HN 0.635 nan 8.370 nan 0.000 0.460 208 Q N 0.308 120.207 119.800 0.164 0.000 2.084 208 Q HA -0.094 4.246 4.340 -0.001 0.000 0.202 208 Q C 2.240 178.354 176.000 0.190 0.000 0.978 208 Q CA 1.435 57.322 55.803 0.141 0.000 0.844 208 Q CB -0.143 28.654 28.738 0.100 0.000 0.898 208 Q HN 0.234 nan 8.270 nan 0.000 0.426 209 A N 1.211 124.194 122.820 0.272 0.000 1.902 209 A HA -0.162 4.158 4.320 -0.001 0.000 0.217 209 A C 2.324 180.196 177.584 0.480 0.000 1.181 209 A CA 1.666 53.919 52.037 0.359 0.000 0.623 209 A CB -0.850 18.412 19.000 0.435 0.000 0.818 209 A HN 0.410 nan 8.150 nan 0.000 0.443 210 A N -0.182 122.918 122.820 0.467 0.000 1.902 210 A HA 0.135 4.455 4.320 -0.001 0.000 0.217 210 A C 2.500 180.255 177.584 0.286 0.000 1.181 210 A CA 2.159 54.305 52.037 0.181 0.000 0.623 210 A CB -0.994 17.894 19.000 -0.187 0.000 0.818 210 A HN 1.079 nan 8.150 nan 0.000 0.443 211 A N -0.244 122.709 122.820 0.222 0.000 1.902 211 A HA -0.031 4.289 4.320 -0.001 0.000 0.217 211 A C 2.170 179.841 177.584 0.144 0.000 1.181 211 A CA 1.449 53.587 52.037 0.168 0.000 0.623 211 A CB -0.591 18.476 19.000 0.113 0.000 0.818 211 A HN 0.476 nan 8.150 nan 0.000 0.443 212 L N -1.103 120.216 121.223 0.160 0.000 2.017 212 L HA -0.192 4.148 4.340 -0.001 0.000 0.208 212 L C 2.590 179.552 176.870 0.152 0.000 1.073 212 L CA 1.382 56.301 54.840 0.131 0.000 0.745 212 L CB -0.596 41.537 42.059 0.125 0.000 0.894 212 L HN 0.486 nan 8.230 nan 0.000 0.432 213 L N 0.312 121.684 121.223 0.248 0.000 2.042 213 L HA -0.171 4.169 4.340 -0.001 0.000 0.210 213 L C 2.667 179.656 176.870 0.198 0.000 1.076 213 L CA 1.983 56.992 54.840 0.283 0.000 0.749 213 L CB -0.735 41.597 42.059 0.455 0.000 0.893 213 L HN 0.157 nan 8.230 nan 0.000 0.432 214 A N -0.501 122.420 122.820 0.168 0.000 1.892 214 A HA -0.234 4.086 4.320 -0.001 0.000 0.218 214 A C 2.097 179.604 177.584 -0.128 0.000 1.188 214 A CA 2.060 53.985 52.037 -0.187 0.000 0.631 214 A CB -0.641 18.208 19.000 -0.252 0.000 0.822 214 A HN 0.643 nan 8.150 nan 0.000 0.447 215 E N 0.097 120.274 120.200 -0.038 0.000 2.285 215 E HA 0.159 4.508 4.350 -0.001 0.000 0.194 215 E C 1.012 177.596 176.600 -0.026 0.000 0.997 215 E CA 0.543 56.922 56.400 -0.035 0.000 0.845 215 E CB -0.461 29.235 29.700 -0.008 0.000 0.782 215 E HN 0.573 nan 8.360 nan 0.000 0.491 216 A N 1.987 124.808 122.820 0.003 0.000 2.425 216 A HA 0.051 4.371 4.320 -0.001 0.000 0.249 216 A C 1.249 178.810 177.584 -0.039 0.000 1.084 216 A CA -0.030 52.011 52.037 0.005 0.000 0.781 216 A CB 0.727 19.759 19.000 0.053 0.000 1.019 216 A HN 0.031 nan 8.150 nan 0.000 0.490 217 K N 0.334 120.678 120.400 -0.092 0.000 2.044 217 K HA -0.018 4.302 4.320 -0.001 0.000 0.204 217 K C -0.273 176.147 176.600 -0.301 0.000 1.045 217 K CA 0.868 57.004 56.287 -0.251 0.000 0.951 217 K CB 0.011 32.291 32.500 -0.367 0.000 0.738 217 K HN 0.830 nan 8.250 nan 0.000 0.443 218 H N 1.072 120.166 119.070 0.039 0.000 2.569 218 H HA 0.314 4.870 4.556 -0.001 0.000 0.247 218 H C -2.568 172.776 175.328 0.027 0.000 1.346 218 H CA -2.521 53.555 56.048 0.048 0.000 1.502 218 H CB 1.221 30.987 29.762 0.006 0.000 1.512 218 H HN 0.258 nan 8.280 nan 0.000 0.502 219 P HA 0.177 nan 4.420 nan 0.000 0.279 219 P C -0.047 177.305 177.300 0.087 0.000 1.252 219 P CA -0.487 62.675 63.100 0.104 0.000 0.811 219 P CB 2.178 33.947 31.700 0.115 0.000 1.035 220 V N -0.651 119.293 119.914 0.051 0.000 2.962 220 V HA 0.564 4.684 4.120 -0.001 0.000 0.313 220 V C -0.674 175.417 176.094 -0.006 0.000 1.099 220 V CA -1.172 61.142 62.300 0.025 0.000 0.971 220 V CB 1.837 33.704 31.823 0.075 0.000 1.028 220 V HN 0.261 nan 8.190 nan 0.000 0.430 221 L N 3.275 124.485 121.223 -0.021 0.000 2.264 221 L HA 0.593 4.933 4.340 -0.001 0.000 0.289 221 L C -0.517 176.348 176.870 -0.008 0.000 1.044 221 L CA -0.724 54.100 54.840 -0.027 0.000 0.807 221 L CB 1.688 43.733 42.059 -0.024 0.000 1.192 221 L HN 0.539 nan 8.230 nan 0.000 0.425 222 V N 5.065 124.970 119.914 -0.015 0.000 2.318 222 V HA 0.251 4.371 4.120 -0.001 0.000 0.271 222 V C 0.174 176.292 176.094 0.040 0.000 1.030 222 V CA -0.487 61.836 62.300 0.039 0.000 0.844 222 V CB 1.638 33.475 31.823 0.024 0.000 1.015 222 V HN 0.420 nan 8.190 nan 0.000 0.460 223 V N 4.707 124.647 119.914 0.044 0.000 2.394 223 V HA 0.750 4.870 4.120 -0.001 0.000 0.282 223 V C 0.830 176.946 176.094 0.036 0.000 1.031 223 V CA -0.147 62.168 62.300 0.026 0.000 0.881 223 V CB 1.507 33.329 31.823 -0.001 0.000 0.982 223 V HN 0.864 nan 8.190 nan 0.000 0.451 224 G N 2.326 111.143 108.800 0.029 0.000 2.552 224 G HA2 0.560 4.520 3.960 -0.001 0.000 0.324 224 G HA3 0.560 4.520 3.960 -0.001 0.000 0.324 224 G C 0.886 175.795 174.900 0.014 0.000 1.217 224 G CA -0.018 45.090 45.100 0.014 0.000 0.989 224 G HN 0.898 nan 8.290 nan 0.000 0.490 225 A N -0.144 122.700 122.820 0.039 0.000 2.024 225 A HA 0.142 4.461 4.320 -0.001 0.000 0.220 225 A C 2.657 180.292 177.584 0.085 0.000 1.164 225 A CA 2.434 54.529 52.037 0.096 0.000 0.643 225 A CB -0.725 18.404 19.000 0.214 0.000 0.806 225 A HN 1.369 nan 8.150 nan 0.000 0.451 226 A N -0.052 122.795 122.820 0.046 0.000 1.978 226 A HA 0.087 4.406 4.320 -0.001 0.000 0.220 226 A C 2.451 180.048 177.584 0.023 0.000 1.170 226 A CA 2.075 54.132 52.037 0.033 0.000 0.636 226 A CB -0.903 18.102 19.000 0.009 0.000 0.810 226 A HN 1.093 nan 8.150 nan 0.000 0.448 227 A N -0.091 122.735 122.820 0.010 0.000 1.933 227 A HA -0.067 4.253 4.320 -0.001 0.000 0.218 227 A C 2.087 179.667 177.584 -0.007 0.000 1.175 227 A CA 1.499 53.537 52.037 0.001 0.000 0.628 227 A CB -0.557 18.440 19.000 -0.005 0.000 0.814 227 A HN 0.532 nan 8.150 nan 0.000 0.444 228 I N -0.981 119.576 120.570 -0.023 0.000 2.202 228 I HA -0.242 3.927 4.170 -0.001 0.000 0.242 228 I C 2.696 178.839 176.117 0.043 0.000 1.091 228 I CA 1.218 62.486 61.300 -0.053 0.000 1.368 228 I CB -0.416 37.440 38.000 -0.240 0.000 1.058 228 I HN 0.253 nan 8.210 nan 0.000 0.410 229 R N 0.215 120.776 120.500 0.102 0.000 2.117 229 R HA -0.178 4.162 4.340 -0.001 0.000 0.243 229 R C 2.431 178.764 176.300 0.055 0.000 1.143 229 R CA 1.677 57.839 56.100 0.103 0.000 0.968 229 R CB -0.561 29.794 30.300 0.092 0.000 0.863 229 R HN 0.252 nan 8.270 nan 0.000 0.444 230 S N -0.453 115.267 115.700 0.033 0.000 2.507 230 S HA -0.027 4.443 4.470 -0.001 0.000 0.235 230 S C 1.136 175.747 174.600 0.019 0.000 0.988 230 S CA 0.918 59.128 58.200 0.017 0.000 0.944 230 S CB -0.157 63.047 63.200 0.005 0.000 0.762 230 S HN 0.661 nan 8.310 nan 0.000 0.526 231 G N 0.085 108.898 108.800 0.022 0.000 2.182 231 G HA2 -0.193 3.767 3.960 -0.001 0.000 0.248 231 G HA3 -0.193 3.767 3.960 -0.001 0.000 0.248 231 G C 0.468 175.373 174.900 0.009 0.000 1.042 231 G CA 0.233 45.343 45.100 0.017 0.000 0.775 231 G HN 0.926 nan 8.290 nan 0.000 0.501 232 A N -1.001 121.821 122.820 0.003 0.000 2.308 232 A HA 0.620 4.940 4.320 -0.001 0.000 0.217 232 A C 2.224 179.804 177.584 -0.007 0.000 1.216 232 A CA 1.393 53.433 52.037 0.006 0.000 0.864 232 A CB 0.168 19.179 19.000 0.019 0.000 0.902 232 A HN 0.927 nan 8.150 nan 0.000 0.499 233 V N 1.202 121.101 119.914 -0.025 0.000 2.233 233 V HA -0.185 3.935 4.120 -0.001 0.000 0.247 233 V C -0.052 176.024 176.094 -0.030 0.000 1.050 233 V CA 2.777 65.051 62.300 -0.042 0.000 1.010 233 V CB -1.408 30.373 31.823 -0.069 0.000 0.637 233 V HN 0.381 nan 8.190 nan 0.000 0.444 234 P HA -0.164 nan 4.420 nan 0.000 0.215 234 P C 1.685 178.982 177.300 -0.004 0.000 1.153 234 P CA 2.103 65.199 63.100 -0.008 0.000 0.853 234 P CB -0.203 31.497 31.700 -0.000 0.000 0.788 235 A N -0.780 122.040 122.820 0.000 0.000 1.902 235 A HA -0.181 4.139 4.320 -0.001 0.000 0.217 235 A C 2.230 179.817 177.584 0.005 0.000 1.181 235 A CA 1.506 53.546 52.037 0.005 0.000 0.623 235 A CB -1.617 17.389 19.000 0.009 0.000 0.818 235 A HN 0.123 nan 8.150 nan 0.000 0.443 236 I N -1.131 119.439 120.570 0.001 0.000 2.252 236 I HA -0.231 3.939 4.170 -0.001 0.000 0.245 236 I C 2.690 178.798 176.117 -0.016 0.000 1.102 236 I CA 1.606 62.905 61.300 -0.001 0.000 1.385 236 I CB -0.308 37.687 38.000 -0.008 0.000 1.064 236 I HN 0.387 nan 8.210 nan 0.000 0.414 237 R N 1.414 121.895 120.500 -0.032 0.000 2.073 237 R HA -0.194 4.146 4.340 -0.001 0.000 0.234 237 R C 2.376 178.673 176.300 -0.005 0.000 1.134 237 R CA 1.770 57.842 56.100 -0.048 0.000 0.952 237 R CB -0.307 29.961 30.300 -0.053 0.000 0.850 237 R HN 0.337 nan 8.270 nan 0.000 0.433 238 A N 1.007 123.833 122.820 0.009 0.000 1.933 238 A HA -0.159 4.160 4.320 -0.001 0.000 0.218 238 A C 2.045 179.644 177.584 0.026 0.000 1.175 238 A CA 1.302 53.352 52.037 0.022 0.000 0.628 238 A CB -0.570 18.439 19.000 0.015 0.000 0.814 238 A HN 0.415 nan 8.150 nan 0.000 0.444 239 L N -0.322 120.916 121.223 0.025 0.000 2.005 239 L HA -0.025 4.315 4.340 -0.001 0.000 0.207 239 L C 2.713 179.615 176.870 0.054 0.000 1.072 239 L CA 2.222 57.088 54.840 0.044 0.000 0.744 239 L CB -0.770 41.328 42.059 0.065 0.000 0.895 239 L HN 0.322 nan 8.230 nan 0.000 0.433 240 A N -0.830 122.012 122.820 0.036 0.000 1.908 240 A HA -0.243 4.077 4.320 -0.001 0.000 0.218 240 A C 2.177 179.793 177.584 0.053 0.000 1.181 240 A CA 1.953 54.008 52.037 0.030 0.000 0.627 240 A CB -0.685 18.303 19.000 -0.021 0.000 0.818 240 A HN 0.620 nan 8.150 nan 0.000 0.445 241 E N -0.981 119.259 120.200 0.067 0.000 2.072 241 E HA -0.191 4.159 4.350 -0.001 0.000 0.191 241 E C 2.326 178.970 176.600 0.073 0.000 0.985 241 E CA 1.164 57.624 56.400 0.100 0.000 0.801 241 E CB -0.158 29.615 29.700 0.121 0.000 0.750 241 E HN 0.615 nan 8.360 nan 0.000 0.452 242 R N 0.756 121.291 120.500 0.058 0.000 2.073 242 R HA -0.092 4.248 4.340 -0.001 0.000 0.234 242 R C 1.895 178.232 176.300 0.061 0.000 1.134 242 R CA 1.134 57.264 56.100 0.049 0.000 0.952 242 R CB -0.030 30.290 30.300 0.033 0.000 0.850 242 R HN 0.157 nan 8.270 nan 0.000 0.433 243 L N 0.483 121.750 121.223 0.074 0.000 2.592 243 L HA 0.120 4.459 4.340 -0.001 0.000 0.227 243 L C 0.205 177.129 176.870 0.090 0.000 1.127 243 L CA -0.119 54.778 54.840 0.095 0.000 0.884 243 L CB -0.146 41.988 42.059 0.126 0.000 1.065 243 L HN 0.337 nan 8.230 nan 0.000 0.457 244 N N 1.243 119.989 118.700 0.076 0.000 2.738 244 N HA -0.216 4.524 4.740 -0.001 0.000 0.249 244 N C -0.595 174.948 175.510 0.054 0.000 1.047 244 N CA 0.419 53.511 53.050 0.070 0.000 0.707 244 N CB -1.211 37.321 38.487 0.075 0.000 0.937 244 N HN 0.328 nan 8.380 nan 0.000 0.545 245 I N 0.537 121.129 120.570 0.037 0.000 2.321 245 I HA 0.347 4.517 4.170 -0.001 0.000 0.291 245 I C -1.830 174.222 176.117 -0.108 0.000 0.998 245 I CA -2.093 59.208 61.300 0.001 0.000 1.227 245 I CB 1.339 39.365 38.000 0.044 0.000 1.368 245 I HN 0.016 nan 8.210 nan 0.000 0.466 246 P HA 0.024 nan 4.420 nan 0.000 0.267 246 P C -0.800 176.305 177.300 -0.325 0.000 1.200 246 P CA -0.053 62.685 63.100 -0.604 0.000 0.772 246 P CB 0.580 31.525 31.700 -1.259 0.000 0.855 247 V N 5.003 124.762 119.914 -0.258 0.000 2.378 247 V HA 0.380 4.499 4.120 -0.001 0.000 0.288 247 V C 0.297 176.369 176.094 -0.038 0.000 1.016 247 V CA -0.291 61.942 62.300 -0.110 0.000 0.840 247 V CB 0.980 32.746 31.823 -0.095 0.000 0.994 247 V HN 0.386 nan 8.190 nan 0.000 0.431 248 I N 4.417 124.992 120.570 0.008 0.000 2.493 248 I HA 0.667 4.836 4.170 -0.001 0.000 0.298 248 I C 0.363 176.532 176.117 0.086 0.000 0.998 248 I CA -0.232 61.111 61.300 0.072 0.000 1.137 248 I CB 2.522 40.589 38.000 0.112 0.000 1.310 248 I HN 0.738 nan 8.210 nan 0.000 0.445 249 T N 0.089 114.700 114.554 0.095 0.000 2.916 249 T HA 0.564 4.914 4.350 -0.001 0.000 0.292 249 T C 0.057 174.834 174.700 0.128 0.000 1.064 249 T CA -0.723 61.432 62.100 0.091 0.000 1.011 249 T CB 1.670 70.574 68.868 0.061 0.000 1.152 249 T HN 0.666 nan 8.240 nan 0.000 0.510 250 T N -0.031 114.586 114.554 0.106 0.000 2.698 250 T HA 0.195 4.545 4.350 -0.001 0.000 0.295 250 T C 0.906 175.726 174.700 0.201 0.000 1.007 250 T CA -0.428 61.724 62.100 0.087 0.000 0.980 250 T CB -0.121 68.739 68.868 -0.013 0.000 1.036 250 T HN 0.530 nan 8.240 nan 0.000 0.526 251 Y N -0.097 120.262 120.300 0.099 0.000 2.207 251 Y HA 0.003 4.553 4.550 -0.000 0.000 0.287 251 Y C 2.324 178.363 175.900 0.232 0.000 1.156 251 Y CA 0.523 58.713 58.100 0.150 0.000 1.182 251 Y CB -1.136 37.411 38.460 0.145 0.000 0.979 251 Y HN 0.685 nan 8.280 nan 0.000 0.521 252 I N -1.181 119.583 120.570 0.324 0.000 3.645 252 I HA 0.299 4.469 4.170 -0.001 0.000 0.300 252 I C 1.744 178.006 176.117 0.242 0.000 1.260 252 I CA 0.793 62.270 61.300 0.294 0.000 1.365 252 I CB 0.017 38.147 38.000 0.217 0.000 1.077 252 I HN -0.052 nan 8.210 nan 0.000 0.439 253 A N 0.598 123.504 122.820 0.144 0.000 2.379 253 A HA 0.268 4.588 4.320 -0.001 0.000 0.236 253 A C 0.769 178.369 177.584 0.026 0.000 1.272 253 A CA -0.403 51.651 52.037 0.028 0.000 0.886 253 A CB -0.514 18.491 19.000 0.008 0.000 0.962 253 A HN 0.301 nan 8.150 nan 0.000 0.504 254 K N -0.217 120.246 120.400 0.104 0.000 2.484 254 K HA 0.306 4.625 4.320 -0.001 0.000 0.280 254 K C 1.131 177.756 176.600 0.042 0.000 1.013 254 K CA 1.051 57.385 56.287 0.079 0.000 1.029 254 K CB 0.138 32.708 32.500 0.117 0.000 0.902 254 K HN 0.644 nan 8.250 nan 0.000 0.481 255 G N 0.848 109.653 108.800 0.008 0.000 2.163 255 G HA2 -0.280 3.680 3.960 -0.001 0.000 0.213 255 G HA3 -0.280 3.680 3.960 -0.001 0.000 0.213 255 G C 0.669 175.537 174.900 -0.053 0.000 0.991 255 G CA 0.140 45.234 45.100 -0.009 0.000 0.653 255 G HN 0.527 nan 8.290 nan 0.000 0.518 256 V N -1.746 118.124 119.914 -0.073 0.000 2.759 256 V HA 0.401 4.521 4.120 -0.001 0.000 0.256 256 V C 1.228 177.264 176.094 -0.096 0.000 1.080 256 V CA 1.466 63.709 62.300 -0.094 0.000 1.101 256 V CB -0.312 31.456 31.823 -0.093 0.000 0.698 256 V HN 0.443 nan 8.190 nan 0.000 0.477 257 L N 0.495 121.661 121.223 -0.096 0.000 2.362 257 L HA 0.590 4.929 4.340 -0.001 0.000 0.271 257 L C -2.526 174.326 176.870 -0.030 0.000 1.002 257 L CA -2.208 52.553 54.840 -0.132 0.000 0.818 257 L CB 2.134 44.031 42.059 -0.269 0.000 1.298 257 L HN -0.032 nan 8.230 nan 0.000 0.420 258 P HA 0.018 nan 4.420 nan 0.000 0.270 258 P C -0.592 176.754 177.300 0.078 0.000 1.223 258 P CA -0.385 62.752 63.100 0.062 0.000 0.785 258 P CB 0.410 32.165 31.700 0.092 0.000 0.923 259 V N 1.621 121.568 119.914 0.055 0.000 2.617 259 V HA 0.245 4.364 4.120 -0.001 0.000 0.304 259 V C 1.731 177.861 176.094 0.061 0.000 1.040 259 V CA 1.853 64.183 62.300 0.050 0.000 1.149 259 V CB -0.561 31.283 31.823 0.035 0.000 0.914 259 V HN 1.053 nan 8.190 nan 0.000 0.487 260 G N 2.600 111.436 108.800 0.061 0.000 2.258 260 G HA2 -0.248 3.712 3.960 -0.001 0.000 0.233 260 G HA3 -0.248 3.712 3.960 -0.001 0.000 0.233 260 G C 0.394 175.334 174.900 0.067 0.000 1.006 260 G CA 0.234 45.363 45.100 0.048 0.000 0.620 260 G HN 0.923 nan 8.290 nan 0.000 0.511 261 H N 1.684 120.765 119.070 0.019 0.000 3.094 261 H HA 0.166 4.721 4.556 -0.001 0.000 0.320 261 H C 1.611 176.965 175.328 0.043 0.000 1.000 261 H CA 1.235 57.300 56.048 0.027 0.000 1.413 261 H CB 1.128 30.906 29.762 0.026 0.000 1.405 261 H HN 0.343 nan 8.280 nan 0.000 0.586 262 E N 3.919 124.150 120.200 0.051 0.000 2.265 262 E HA -0.088 4.262 4.350 -0.001 0.000 0.196 262 E C 1.575 178.364 176.600 0.315 0.000 0.996 262 E CA 0.933 57.409 56.400 0.127 0.000 0.832 262 E CB -0.054 29.656 29.700 0.017 0.000 0.756 262 E HN 0.731 nan 8.360 nan 0.000 0.491 263 L N 0.310 121.831 121.223 0.496 0.000 2.607 263 L HA 0.161 4.500 4.340 -0.001 0.000 0.228 263 L C 0.778 177.766 176.870 0.195 0.000 1.123 263 L CA -0.294 54.704 54.840 0.264 0.000 0.890 263 L CB -0.131 42.005 42.059 0.128 0.000 1.103 263 L HN -0.033 nan 8.230 nan 0.000 0.468 264 N N 0.165 119.017 118.700 0.253 0.000 2.466 264 N HA -0.067 4.673 4.740 -0.001 0.000 0.263 264 N C 0.331 175.990 175.510 0.249 0.000 1.178 264 N CA 0.125 53.272 53.050 0.161 0.000 0.983 264 N CB 0.244 38.798 38.487 0.111 0.000 1.331 264 N HN 0.050 nan 8.380 nan 0.000 0.500 265 Y N 1.770 122.040 120.300 -0.050 0.000 2.490 265 Y HA 0.259 4.809 4.550 -0.001 0.000 0.281 265 Y C 1.728 177.573 175.900 -0.091 0.000 1.174 265 Y CA 0.308 58.357 58.100 -0.084 0.000 1.295 265 Y CB -0.305 38.089 38.460 -0.109 0.000 1.062 265 Y HN 0.619 nan 8.280 nan 0.000 0.522 266 G N -0.175 108.663 108.800 0.064 0.000 2.655 266 G HA2 0.163 4.122 3.960 -0.001 0.000 0.680 266 G HA3 0.163 4.122 3.960 -0.001 0.000 0.680 266 G C -0.643 174.265 174.900 0.012 0.000 1.302 266 G CA -0.767 44.327 45.100 -0.010 0.000 0.872 266 G HN 0.484 nan 8.290 nan 0.000 0.540 267 A N -0.988 121.823 122.820 -0.015 0.000 2.279 267 A HA 0.837 5.156 4.320 -0.001 0.000 0.303 267 A C 0.332 177.955 177.584 0.066 0.000 1.108 267 A CA 0.027 52.093 52.037 0.049 0.000 0.830 267 A CB 1.484 20.513 19.000 0.048 0.000 1.106 267 A HN 1.880 nan 8.150 nan 0.000 0.493 268 V N 0.853 120.870 119.914 0.172 0.000 2.472 268 V HA 0.664 4.784 4.120 -0.001 0.000 0.290 268 V C 0.462 176.736 176.094 0.300 0.000 1.037 268 V CA -0.039 62.389 62.300 0.214 0.000 0.908 268 V CB 1.557 33.566 31.823 0.309 0.000 0.985 268 V HN 1.046 nan 8.190 nan 0.000 0.454 269 T N 2.285 116.987 114.554 0.247 0.000 2.912 269 T HA 0.506 4.856 4.350 -0.001 0.000 0.299 269 T C 1.132 175.963 174.700 0.219 0.000 1.052 269 T CA 0.223 62.547 62.100 0.372 0.000 0.996 269 T CB 1.708 70.775 68.868 0.331 0.000 1.070 269 T HN 0.818 nan 8.240 nan 0.000 0.465 270 G N 1.459 110.370 108.800 0.185 0.000 2.498 270 G HA2 -0.109 3.850 3.960 -0.001 0.000 0.219 270 G HA3 -0.109 3.850 3.960 -0.001 0.000 0.219 270 G C 0.669 175.490 174.900 -0.131 0.000 1.119 270 G CA 0.676 45.764 45.100 -0.021 0.000 0.766 270 G HN 0.807 nan 8.290 nan 0.000 0.552 271 Y N 0.581 120.814 120.300 -0.110 0.000 2.511 271 Y HA 0.138 4.688 4.550 -0.000 0.000 0.279 271 Y C 2.840 178.663 175.900 -0.129 0.000 1.157 271 Y CA 0.578 58.588 58.100 -0.150 0.000 1.300 271 Y CB -0.177 38.116 38.460 -0.278 0.000 1.052 271 Y HN 0.274 nan 8.280 nan 0.000 0.529 272 M N -1.246 118.363 119.600 0.016 0.000 2.159 272 M HA -0.150 4.329 4.480 -0.001 0.000 0.263 272 M C 0.972 177.239 176.300 -0.054 0.000 1.063 272 M CA 2.025 57.275 55.300 -0.082 0.000 1.110 272 M CB -0.402 32.144 32.600 -0.090 0.000 1.374 272 M HN -0.050 nan 8.290 nan 0.000 0.411 273 D N 1.327 121.732 120.400 0.008 0.000 2.097 273 D HA -0.060 4.579 4.640 -0.001 0.000 0.195 273 D C 2.304 178.634 176.300 0.051 0.000 0.989 273 D CA 1.960 55.988 54.000 0.047 0.000 0.827 273 D CB -0.665 40.157 40.800 0.037 0.000 0.966 273 D HN 0.598 nan 8.370 nan 0.000 0.456 274 G N 0.536 109.360 108.800 0.040 0.000 2.404 274 G HA2 -0.194 3.765 3.960 -0.001 0.000 0.215 274 G HA3 -0.194 3.765 3.960 -0.001 0.000 0.215 274 G C 1.785 176.751 174.900 0.111 0.000 1.174 274 G CA 0.375 45.521 45.100 0.076 0.000 0.780 274 G HN 0.254 nan 8.290 nan 0.000 0.537 275 I N 0.393 120.994 120.570 0.051 0.000 2.163 275 I HA -0.154 4.016 4.170 -0.001 0.000 0.243 275 I C 2.459 178.553 176.117 -0.039 0.000 1.085 275 I CA 0.983 62.259 61.300 -0.040 0.000 1.347 275 I CB -0.120 37.632 38.000 -0.414 0.000 1.044 275 I HN 0.110 nan 8.210 nan 0.000 0.408 276 L N -0.045 121.107 121.223 -0.118 0.000 2.509 276 L HA 0.037 4.376 4.340 -0.001 0.000 0.222 276 L C 0.623 177.646 176.870 0.255 0.000 1.123 276 L CA 0.005 54.786 54.840 -0.097 0.000 0.856 276 L CB -0.526 41.413 42.059 -0.201 0.000 0.985 276 L HN 0.356 nan 8.230 nan 0.000 0.456 277 N N 0.618 119.449 118.700 0.219 0.000 2.686 277 N HA -0.300 4.439 4.740 -0.001 0.000 0.261 277 N C -0.801 174.863 175.510 0.257 0.000 1.001 277 N CA 0.537 53.713 53.050 0.210 0.000 0.764 277 N CB -0.997 37.615 38.487 0.208 0.000 0.898 277 N HN 0.292 nan 8.380 nan 0.000 0.544 278 F N 0.014 119.988 119.950 0.040 0.000 2.641 278 F HA 0.490 5.016 4.527 -0.001 0.000 0.308 278 F C -2.174 173.632 175.800 0.009 0.000 1.105 278 F CA -1.800 56.216 58.000 0.027 0.000 0.964 278 F CB 1.768 40.779 39.000 0.019 0.000 1.294 278 F HN -0.033 nan 8.300 nan 0.000 0.442 279 P HA 0.155 nan 4.420 nan 0.000 0.235 279 P C -0.116 177.232 177.300 0.080 0.000 1.765 279 P CA 0.435 63.428 63.100 -0.179 0.000 1.034 279 P CB 0.290 31.808 31.700 -0.304 0.000 1.984 280 A N 2.401 125.393 122.820 0.286 0.000 1.855 280 A HA -0.112 4.207 4.320 -0.001 0.000 0.215 280 A C 2.124 179.805 177.584 0.162 0.000 1.191 280 A CA 1.051 53.267 52.037 0.297 0.000 0.613 280 A CB -1.123 17.970 19.000 0.155 0.000 0.829 280 A HN 0.330 nan 8.150 nan 0.000 0.442 281 L N -0.594 120.721 121.223 0.154 0.000 2.046 281 L HA -0.229 4.111 4.340 -0.001 0.000 0.208 281 L C 2.934 179.950 176.870 0.243 0.000 1.077 281 L CA 1.173 56.151 54.840 0.230 0.000 0.747 281 L CB -0.550 41.645 42.059 0.226 0.000 0.896 281 L HN 0.409 nan 8.230 nan 0.000 0.432 282 Q N -0.379 119.513 119.800 0.153 0.000 2.061 282 Q HA -0.179 4.160 4.340 -0.001 0.000 0.204 282 Q C 2.263 178.335 176.000 0.119 0.000 0.984 282 Q CA 2.189 58.066 55.803 0.123 0.000 0.846 282 Q CB -0.676 28.093 28.738 0.051 0.000 0.902 282 Q HN 0.495 nan 8.270 nan 0.000 0.421 283 T N 1.436 116.057 114.554 0.112 0.000 2.746 283 T HA -0.115 4.234 4.350 -0.001 0.000 0.267 283 T C 1.993 176.759 174.700 0.110 0.000 1.039 283 T CA 1.299 63.473 62.100 0.123 0.000 1.142 283 T CB -0.146 68.847 68.868 0.207 0.000 0.866 283 T HN 0.215 nan 8.240 nan 0.000 0.444 284 M N -0.439 119.176 119.600 0.026 0.000 2.132 284 M HA 0.047 4.527 4.480 -0.001 0.000 0.263 284 M C 1.397 177.571 176.300 -0.210 0.000 1.065 284 M CA 1.755 56.959 55.300 -0.161 0.000 1.122 284 M CB -0.136 32.164 32.600 -0.499 0.000 1.365 284 M HN 0.238 nan 8.290 nan 0.000 0.411 285 F N -1.364 118.681 119.950 0.158 0.000 2.727 285 F HA 0.363 4.889 4.527 -0.001 0.000 0.302 285 F C 2.262 178.071 175.800 0.016 0.000 1.107 285 F CA 0.180 58.230 58.000 0.083 0.000 1.277 285 F CB -0.821 38.263 39.000 0.141 0.000 1.079 285 F HN -0.019 nan 8.300 nan 0.000 0.594 286 A N 1.571 124.499 122.820 0.181 0.000 1.892 286 A HA -0.146 4.174 4.320 -0.001 0.000 0.218 286 A C -0.418 177.204 177.584 0.063 0.000 1.188 286 A CA 1.990 54.095 52.037 0.114 0.000 0.631 286 A CB -2.003 17.050 19.000 0.089 0.000 0.822 286 A HN 0.202 nan 8.150 nan 0.000 0.447 287 P HA 0.168 nan 4.420 nan 0.000 0.255 287 P C -0.108 177.188 177.300 -0.007 0.000 1.248 287 P CA 0.193 63.299 63.100 0.009 0.000 0.807 287 P CB -0.079 31.614 31.700 -0.011 0.000 1.150 288 V N 3.156 123.014 119.914 -0.093 0.000 2.572 288 V HA 0.026 4.145 4.120 -0.001 0.000 0.291 288 V C 1.446 177.571 176.094 0.053 0.000 1.039 288 V CA 0.660 62.937 62.300 -0.039 0.000 1.055 288 V CB 0.741 32.564 31.823 -0.001 0.000 0.969 288 V HN 0.163 nan 8.190 nan 0.000 0.482 289 D N 2.945 123.382 120.400 0.062 0.000 2.441 289 D HA 0.163 4.802 4.640 -0.001 0.000 0.210 289 D C -0.073 176.249 176.300 0.036 0.000 1.102 289 D CA -0.070 53.959 54.000 0.049 0.000 0.840 289 D CB 0.671 41.494 40.800 0.038 0.000 0.990 289 D HN 0.327 nan 8.370 nan 0.000 0.505 290 L N 0.984 122.225 121.223 0.030 0.000 2.476 290 L HA 0.465 4.805 4.340 -0.001 0.000 0.269 290 L C -1.774 175.073 176.870 -0.039 0.000 0.965 290 L CA -0.867 53.978 54.840 0.008 0.000 0.845 290 L CB 2.320 44.406 42.059 0.045 0.000 1.259 290 L HN -0.187 nan 8.230 nan 0.000 0.403 291 V N 6.399 126.230 119.914 -0.139 0.000 2.334 291 V HA 0.447 4.567 4.120 -0.001 0.000 0.281 291 V C -0.388 175.535 176.094 -0.284 0.000 1.016 291 V CA -0.395 61.733 62.300 -0.287 0.000 0.832 291 V CB 1.383 32.793 31.823 -0.688 0.000 0.999 291 V HN 0.556 nan 8.190 nan 0.000 0.439 292 L N 5.073 126.177 121.223 -0.199 0.000 2.264 292 L HA 0.412 4.752 4.340 -0.001 0.000 0.287 292 L C 0.831 177.579 176.870 -0.202 0.000 1.039 292 L CA -0.083 54.645 54.840 -0.185 0.000 0.829 292 L CB 1.398 43.382 42.059 -0.126 0.000 1.211 292 L HN 0.752 nan 8.230 nan 0.000 0.427 293 T N 0.270 114.685 114.554 -0.232 0.000 2.992 293 T HA 0.388 4.738 4.350 -0.001 0.000 0.299 293 T C 0.065 174.737 174.700 -0.047 0.000 1.027 293 T CA -0.684 61.335 62.100 -0.136 0.000 1.001 293 T CB 0.037 68.791 68.868 -0.191 0.000 1.005 293 T HN 0.146 nan 8.240 nan 0.000 0.599 294 V N 3.665 123.554 119.914 -0.043 0.000 2.372 294 V HA 0.566 4.685 4.120 -0.001 0.000 0.261 294 V C 1.436 177.528 176.094 -0.002 0.000 1.055 294 V CA 0.159 62.424 62.300 -0.059 0.000 0.930 294 V CB -0.142 31.664 31.823 -0.028 0.000 1.031 294 V HN 1.266 nan 8.190 nan 0.000 0.479 295 G N 3.973 112.765 108.800 -0.013 0.000 2.256 295 G HA2 -0.312 3.648 3.960 -0.001 0.000 0.272 295 G HA3 -0.312 3.648 3.960 -0.001 0.000 0.272 295 G C -0.187 174.751 174.900 0.063 0.000 1.076 295 G CA -0.068 45.040 45.100 0.013 0.000 0.882 295 G HN 0.889 nan 8.290 nan 0.000 0.497 296 Y N 1.021 121.323 120.300 0.002 0.000 2.610 296 Y HA 0.443 4.993 4.550 -0.001 0.000 0.332 296 Y C 0.225 176.175 175.900 0.084 0.000 1.201 296 Y CA 0.424 58.563 58.100 0.066 0.000 1.465 296 Y CB 1.001 39.553 38.460 0.152 0.000 1.283 296 Y HN 0.240 nan 8.280 nan 0.000 0.563 297 D N 4.890 124.867 120.400 -0.705 0.000 2.763 297 D HA 0.023 4.662 4.640 -0.001 0.000 0.235 297 D C -0.095 175.820 176.300 -0.642 0.000 1.334 297 D CA -0.518 53.203 54.000 -0.465 0.000 0.950 297 D CB 0.404 41.082 40.800 -0.203 0.000 1.433 297 D HN 0.578 nan 8.370 nan 0.000 0.580 298 Y N 3.583 123.558 120.300 -0.541 0.000 2.298 298 Y HA -0.135 4.414 4.550 -0.000 0.000 0.287 298 Y C 1.904 177.685 175.900 -0.198 0.000 1.164 298 Y CA 2.102 60.042 58.100 -0.267 0.000 1.229 298 Y CB -0.123 38.337 38.460 -0.001 0.000 0.977 298 Y HN 0.537 nan 8.280 nan 0.000 0.538 299 A N -0.252 122.482 122.820 -0.143 0.000 2.067 299 A HA -0.156 4.163 4.320 -0.001 0.000 0.219 299 A C 2.043 179.490 177.584 -0.228 0.000 1.158 299 A CA 1.496 53.423 52.037 -0.182 0.000 0.661 299 A CB -0.563 18.380 19.000 -0.096 0.000 0.801 299 A HN 0.592 nan 8.150 nan 0.000 0.452 300 E N -1.409 118.638 120.200 -0.254 0.000 2.409 300 E HA -0.108 4.242 4.350 -0.001 0.000 0.198 300 E C 0.184 176.533 176.600 -0.419 0.000 1.024 300 E CA 0.516 56.741 56.400 -0.292 0.000 0.861 300 E CB -0.034 29.519 29.700 -0.244 0.000 0.788 300 E HN 0.527 nan 8.360 nan 0.000 0.521 301 D N -0.643 119.537 120.400 -0.367 0.000 3.099 301 D HA -0.182 4.458 4.640 -0.001 0.000 0.213 301 D C -0.744 175.417 176.300 -0.232 0.000 1.121 301 D CA 0.329 54.123 54.000 -0.342 0.000 0.951 301 D CB -1.194 39.433 40.800 -0.288 0.000 1.102 301 D HN 0.159 nan 8.370 nan 0.000 0.423 302 L N 1.255 122.387 121.223 -0.151 0.000 2.282 302 L HA 0.360 4.700 4.340 -0.001 0.000 0.287 302 L C 0.451 177.399 176.870 0.130 0.000 1.075 302 L CA -0.381 54.478 54.840 0.032 0.000 0.839 302 L CB 0.140 42.283 42.059 0.140 0.000 1.219 302 L HN -0.050 nan 8.230 nan 0.000 0.434 303 R N 4.950 125.439 120.500 -0.018 0.000 2.486 303 R HA 0.335 4.674 4.340 -0.001 0.000 0.286 303 R C -1.773 174.155 176.300 -0.620 0.000 0.999 303 R CA -1.790 54.259 56.100 -0.085 0.000 0.993 303 R CB 0.704 30.979 30.300 -0.041 0.000 1.084 303 R HN 0.365 nan 8.270 nan 0.000 0.487 304 P HA -0.261 nan 4.420 nan 0.000 0.217 304 P C 1.167 177.614 177.300 -1.422 0.000 1.151 304 P CA 1.688 63.591 63.100 -1.994 0.000 0.849 304 P CB 0.134 31.184 31.700 -1.085 0.000 0.787 305 S N -1.833 113.440 115.700 -0.711 0.000 2.440 305 S HA -0.163 4.306 4.470 -0.001 0.000 0.238 305 S C 1.831 176.184 174.600 -0.412 0.000 1.010 305 S CA 1.220 59.146 58.200 -0.457 0.000 0.972 305 S CB -1.301 61.743 63.200 -0.261 0.000 0.774 305 S HN 0.116 nan 8.310 nan 0.000 0.501 306 M N 0.136 119.466 119.600 -0.450 0.000 2.254 306 M HA 0.095 4.575 4.480 -0.001 0.000 0.265 306 M C 1.907 178.022 176.300 -0.308 0.000 1.066 306 M CA 1.361 56.513 55.300 -0.247 0.000 1.123 306 M CB -0.384 32.154 32.600 -0.105 0.000 1.388 306 M HN 0.781 nan 8.290 nan 0.000 0.425 307 W N -0.094 120.859 121.300 -0.578 0.000 3.211 307 W HA 0.221 4.880 4.660 -0.001 0.000 0.292 307 W C 0.107 176.350 176.519 -0.460 0.000 1.268 307 W CA -0.305 56.391 57.345 -1.083 0.000 1.702 307 W CB -0.737 27.907 29.460 -1.359 0.000 1.092 307 W HN 0.008 nan 8.180 nan 0.000 0.643 308 Q N 2.555 122.183 119.800 -0.287 0.000 3.184 308 Q HA 0.136 4.475 4.340 -0.001 0.000 0.288 308 Q C -0.389 175.593 176.000 -0.031 0.000 1.412 308 Q CA 0.367 56.104 55.803 -0.110 0.000 0.991 308 Q CB -0.043 28.566 28.738 -0.215 0.000 1.688 308 Q HN -0.080 nan 8.270 nan 0.000 0.554 309 K N 0.306 120.740 120.400 0.056 0.000 2.378 309 K HA 0.604 4.924 4.320 -0.001 0.000 0.252 309 K C 0.461 177.120 176.600 0.098 0.000 0.931 309 K CA -0.110 56.229 56.287 0.086 0.000 0.794 309 K CB 1.988 34.583 32.500 0.158 0.000 1.181 309 K HN 0.449 nan 8.250 nan 0.000 0.425 310 G N 2.635 111.475 108.800 0.067 0.000 2.561 310 G HA2 -0.326 3.634 3.960 -0.001 0.000 0.289 310 G HA3 -0.326 3.634 3.960 -0.001 0.000 0.289 310 G C 0.218 175.152 174.900 0.056 0.000 1.169 310 G CA 0.179 45.316 45.100 0.061 0.000 0.980 310 G HN 0.799 nan 8.290 nan 0.000 0.550 311 I N -0.201 120.406 120.570 0.061 0.000 2.938 311 I HA 0.544 4.714 4.170 -0.001 0.000 0.285 311 I C 0.414 176.565 176.117 0.057 0.000 1.182 311 I CA -0.566 60.766 61.300 0.053 0.000 1.388 311 I CB 0.524 38.556 38.000 0.054 0.000 1.390 311 I HN 0.438 nan 8.210 nan 0.000 0.600 312 E N 4.477 124.705 120.200 0.047 0.000 2.413 312 E HA 0.189 4.539 4.350 -0.001 0.000 0.263 312 E C -0.782 175.852 176.600 0.056 0.000 1.015 312 E CA 0.213 56.642 56.400 0.049 0.000 0.916 312 E CB 0.705 30.427 29.700 0.036 0.000 0.947 312 E HN 0.537 nan 8.360 nan 0.000 0.440 313 K N 2.095 122.536 120.400 0.069 0.000 2.375 313 K HA 0.417 4.736 4.320 -0.001 0.000 0.249 313 K C -0.180 176.455 176.600 0.059 0.000 0.942 313 K CA -1.016 55.309 56.287 0.064 0.000 0.806 313 K CB 2.028 34.574 32.500 0.077 0.000 1.227 313 K HN 0.053 nan 8.250 nan 0.000 0.430 314 K N 1.739 122.161 120.400 0.037 0.000 2.118 314 K HA 0.308 4.627 4.320 -0.001 0.000 0.267 314 K C -0.156 176.444 176.600 0.001 0.000 0.991 314 K CA -0.328 55.978 56.287 0.030 0.000 0.916 314 K CB 1.697 34.214 32.500 0.029 0.000 1.041 314 K HN 0.841 nan 8.250 nan 0.000 0.455 315 T N -2.158 112.402 114.554 0.010 0.000 2.863 315 T HA 0.547 4.896 4.350 -0.001 0.000 0.285 315 T C -0.338 174.335 174.700 -0.046 0.000 1.009 315 T CA -0.854 61.226 62.100 -0.034 0.000 0.989 315 T CB 1.403 70.335 68.868 0.107 0.000 1.004 315 T HN 0.110 nan 8.240 nan 0.000 0.455 316 V N 2.755 122.612 119.914 -0.095 0.000 2.444 316 V HA 0.544 4.664 4.120 -0.001 0.000 0.294 316 V C 0.228 176.224 176.094 -0.163 0.000 1.022 316 V CA -0.966 61.263 62.300 -0.119 0.000 0.850 316 V CB 1.430 33.188 31.823 -0.109 0.000 0.992 316 V HN 0.953 nan 8.190 nan 0.000 0.426 317 R N 4.323 124.712 120.500 -0.186 0.000 2.312 317 R HA 0.697 5.036 4.340 -0.001 0.000 0.311 317 R C -1.444 174.710 176.300 -0.243 0.000 1.004 317 R CA -0.520 55.479 56.100 -0.169 0.000 0.902 317 R CB 0.941 31.092 30.300 -0.250 0.000 1.073 317 R HN 0.650 nan 8.270 nan 0.000 0.457 318 I N 2.635 123.052 120.570 -0.256 0.000 2.439 318 I HA 0.285 4.455 4.170 -0.001 0.000 0.283 318 I C -0.537 175.474 176.117 -0.175 0.000 1.023 318 I CA -0.042 61.037 61.300 -0.368 0.000 1.100 318 I CB 1.986 39.550 38.000 -0.726 0.000 1.238 318 I HN 0.470 nan 8.210 nan 0.000 0.445 319 S N 6.622 122.237 115.700 -0.141 0.000 2.533 319 S HA 0.586 5.056 4.470 -0.001 0.000 0.271 319 S C -2.604 171.939 174.600 -0.095 0.000 1.143 319 S CA -1.111 57.048 58.200 -0.069 0.000 0.891 319 S CB 2.063 65.269 63.200 0.008 0.000 1.105 319 S HN 0.372 nan 8.310 nan 0.000 0.468 320 P HA 0.187 nan 4.420 nan 0.000 0.249 320 P C -0.135 177.134 177.300 -0.052 0.000 1.593 320 P CA 0.115 63.164 63.100 -0.085 0.000 0.896 320 P CB -0.833 30.824 31.700 -0.071 0.000 1.581 321 T N -4.062 110.469 114.554 -0.038 0.000 2.900 321 T HA 0.407 4.757 4.350 -0.001 0.000 0.303 321 T C -0.308 174.381 174.700 -0.018 0.000 1.142 321 T CA -0.754 61.335 62.100 -0.018 0.000 1.007 321 T CB 1.300 70.168 68.868 0.002 0.000 1.156 321 T HN -0.231 nan 8.240 nan 0.000 0.490 322 V N 2.784 122.690 119.914 -0.013 0.000 2.740 322 V HA 0.208 4.328 4.120 -0.001 0.000 0.303 322 V C 1.085 177.175 176.094 -0.008 0.000 1.054 322 V CA -0.646 61.644 62.300 -0.016 0.000 1.106 322 V CB 0.347 32.163 31.823 -0.012 0.000 0.957 322 V HN 1.006 nan 8.190 nan 0.000 0.486 323 N N 6.665 125.351 118.700 -0.023 0.000 2.394 323 N HA 0.020 4.760 4.740 -0.001 0.000 0.277 323 N C -1.044 174.462 175.510 -0.007 0.000 1.346 323 N CA -1.223 51.817 53.050 -0.017 0.000 0.910 323 N CB 0.831 39.270 38.487 -0.080 0.000 1.201 323 N HN 0.440 nan 8.380 nan 0.000 0.488 324 P HA 0.045 nan 4.420 nan 0.000 0.240 324 P C 0.280 177.575 177.300 -0.010 0.000 1.190 324 P CA 0.692 63.799 63.100 0.012 0.000 0.781 324 P CB -0.013 31.708 31.700 0.036 0.000 0.931 325 I N -3.769 116.782 120.570 -0.031 0.000 2.944 325 I HA 0.399 4.568 4.170 -0.001 0.000 0.334 325 I C -1.926 174.139 176.117 -0.087 0.000 1.420 325 I CA -2.416 58.826 61.300 -0.096 0.000 0.856 325 I CB 1.117 38.957 38.000 -0.267 0.000 2.091 325 I HN -0.329 nan 8.210 nan 0.000 0.571 326 P HA -0.176 nan 4.420 nan 0.000 0.225 326 P C 1.484 178.750 177.300 -0.057 0.000 1.148 326 P CA 1.079 64.140 63.100 -0.065 0.000 0.779 326 P CB 0.107 31.772 31.700 -0.059 0.000 0.780 327 R N 0.155 120.618 120.500 -0.062 0.000 2.120 327 R HA -0.062 4.277 4.340 -0.001 0.000 0.234 327 R C 1.681 177.940 176.300 -0.067 0.000 1.123 327 R CA 1.349 57.415 56.100 -0.056 0.000 0.975 327 R CB -0.211 30.059 30.300 -0.051 0.000 0.866 327 R HN 0.058 nan 8.270 nan 0.000 0.446 328 V N -1.139 118.712 119.914 -0.104 0.000 2.922 328 V HA 0.054 4.174 4.120 -0.001 0.000 0.242 328 V C -0.215 175.856 176.094 -0.038 0.000 1.094 328 V CA 0.381 62.602 62.300 -0.131 0.000 1.106 328 V CB 0.199 31.824 31.823 -0.330 0.000 0.799 328 V HN 0.195 nan 8.190 nan 0.000 0.474 329 Y N 2.002 122.193 120.300 -0.181 0.000 2.327 329 Y HA 0.570 5.119 4.550 -0.001 0.000 0.325 329 Y C -0.200 175.644 175.900 -0.092 0.000 0.999 329 Y CA -1.965 56.054 58.100 -0.135 0.000 1.195 329 Y CB 0.967 39.337 38.460 -0.151 0.000 1.132 329 Y HN 0.047 nan 8.280 nan 0.000 0.455 330 R N 7.486 127.994 120.500 0.014 0.000 2.396 330 R HA 0.320 4.660 4.340 -0.001 0.000 0.292 330 R C -2.617 173.570 176.300 -0.188 0.000 1.240 330 R CA -1.714 54.300 56.100 -0.143 0.000 1.270 330 R CB 0.895 31.160 30.300 -0.058 0.000 1.108 330 R HN 0.462 nan 8.270 nan 0.000 0.573 331 P HA -0.006 nan 4.420 nan 0.000 0.269 331 P C -0.076 177.134 177.300 -0.149 0.000 1.209 331 P CA -0.103 62.791 63.100 -0.343 0.000 0.776 331 P CB 1.146 32.502 31.700 -0.573 0.000 0.876 332 D N 0.248 120.613 120.400 -0.059 0.000 2.144 332 D HA -0.033 4.607 4.640 -0.001 0.000 0.199 332 D C 0.356 176.630 176.300 -0.043 0.000 0.984 332 D CA 1.436 55.417 54.000 -0.032 0.000 0.834 332 D CB 0.311 41.112 40.800 0.001 0.000 0.955 332 D HN 0.130 nan 8.370 nan 0.000 0.465 333 V N 1.155 121.033 119.914 -0.060 0.000 2.577 333 V HA 0.182 4.301 4.120 -0.001 0.000 0.303 333 V C -0.825 175.207 176.094 -0.104 0.000 1.042 333 V CA -0.912 61.358 62.300 -0.050 0.000 0.872 333 V CB 2.445 34.269 31.823 0.001 0.000 0.998 333 V HN -0.140 nan 8.190 nan 0.000 0.423 334 D N 3.526 123.866 120.400 -0.100 0.000 2.440 334 D HA 0.474 5.114 4.640 -0.001 0.000 0.239 334 D C -0.801 175.453 176.300 -0.077 0.000 1.084 334 D CA -0.152 53.769 54.000 -0.132 0.000 0.843 334 D CB 1.983 42.697 40.800 -0.144 0.000 1.097 334 D HN 0.274 nan 8.370 nan 0.000 0.531 335 V N 4.446 124.291 119.914 -0.115 0.000 2.311 335 V HA 0.271 4.391 4.120 -0.001 0.000 0.275 335 V C 0.257 176.284 176.094 -0.112 0.000 1.022 335 V CA -0.840 61.421 62.300 -0.066 0.000 0.830 335 V CB 1.386 33.125 31.823 -0.141 0.000 1.012 335 V HN 0.335 nan 8.190 nan 0.000 0.452 336 V N 4.953 124.838 119.914 -0.047 0.000 2.304 336 V HA 0.668 4.788 4.120 -0.001 0.000 0.269 336 V C 0.266 176.247 176.094 -0.187 0.000 1.036 336 V CA 0.351 62.596 62.300 -0.093 0.000 0.840 336 V CB 0.889 32.686 31.823 -0.043 0.000 1.036 336 V HN 1.012 nan 8.190 nan 0.000 0.466 337 T N 2.628 117.000 114.554 -0.303 0.000 2.686 337 T HA 0.195 4.544 4.350 -0.001 0.000 0.308 337 T C -1.546 172.932 174.700 -0.370 0.000 1.667 337 T CA -0.701 61.080 62.100 -0.532 0.000 0.987 337 T CB 1.640 69.761 68.868 -1.245 0.000 1.652 337 T HN 0.722 nan 8.240 nan 0.000 0.496 338 D N 1.048 121.231 120.400 -0.362 0.000 2.458 338 D HA 0.186 4.826 4.640 -0.001 0.000 0.243 338 D C 1.588 177.792 176.300 -0.160 0.000 1.146 338 D CA 0.265 54.141 54.000 -0.206 0.000 0.877 338 D CB 0.825 41.531 40.800 -0.156 0.000 1.176 338 D HN 0.263 nan 8.370 nan 0.000 0.461 339 V N 4.088 123.959 119.914 -0.073 0.000 2.287 339 V HA -0.234 3.886 4.120 -0.001 0.000 0.248 339 V C 2.204 178.343 176.094 0.075 0.000 1.053 339 V CA 1.464 63.771 62.300 0.011 0.000 1.027 339 V CB -0.739 31.089 31.823 0.009 0.000 0.646 339 V HN 0.613 nan 8.190 nan 0.000 0.447 340 L N 0.883 122.123 121.223 0.027 0.000 2.017 340 L HA -0.078 4.262 4.340 -0.001 0.000 0.208 340 L C 2.507 179.405 176.870 0.047 0.000 1.073 340 L CA 2.311 57.173 54.840 0.037 0.000 0.745 340 L CB -1.129 40.943 42.059 0.022 0.000 0.894 340 L HN 0.228 nan 8.230 nan 0.000 0.432 341 A N -0.632 122.195 122.820 0.011 0.000 1.892 341 A HA -0.331 3.989 4.320 -0.001 0.000 0.218 341 A C 2.306 179.967 177.584 0.127 0.000 1.188 341 A CA 2.216 54.273 52.037 0.033 0.000 0.631 341 A CB -1.360 17.557 19.000 -0.137 0.000 0.822 341 A HN 0.596 nan 8.150 nan 0.000 0.447 342 F N 0.915 120.793 119.950 -0.120 0.000 2.095 342 F HA -0.175 4.351 4.527 -0.001 0.000 0.298 342 F C 2.180 178.111 175.800 0.218 0.000 1.104 342 F CA 2.157 60.200 58.000 0.072 0.000 1.232 342 F CB -0.585 38.373 39.000 -0.070 0.000 0.987 342 F HN 0.022 nan 8.300 nan 0.000 0.475 343 V N 0.845 120.684 119.914 -0.126 0.000 2.343 343 V HA -0.282 3.837 4.120 -0.001 0.000 0.247 343 V C 2.302 178.344 176.094 -0.087 0.000 1.051 343 V CA 2.320 64.493 62.300 -0.213 0.000 1.036 343 V CB -0.816 30.997 31.823 -0.018 0.000 0.654 343 V HN 0.392 nan 8.190 nan 0.000 0.451 344 E N -0.461 119.746 120.200 0.011 0.000 2.072 344 E HA -0.267 4.082 4.350 -0.001 0.000 0.191 344 E C 2.158 178.787 176.600 0.048 0.000 0.985 344 E CA 1.572 57.995 56.400 0.037 0.000 0.801 344 E CB -0.261 29.480 29.700 0.070 0.000 0.750 344 E HN 0.781 nan 8.360 nan 0.000 0.452 345 H N -0.275 118.832 119.070 0.062 0.000 2.387 345 H HA -0.146 4.410 4.556 -0.001 0.000 0.299 345 H C 1.763 177.063 175.328 -0.047 0.000 1.090 345 H CA 1.491 57.576 56.048 0.062 0.000 1.332 345 H CB -0.108 29.798 29.762 0.240 0.000 1.386 345 H HN 0.103 nan 8.280 nan 0.000 0.516 346 F N 1.216 121.011 119.950 -0.259 0.000 2.186 346 F HA -0.098 4.429 4.527 -0.001 0.000 0.299 346 F C 2.251 177.838 175.800 -0.355 0.000 1.090 346 F CA 1.227 58.989 58.000 -0.398 0.000 1.307 346 F CB -0.010 38.526 39.000 -0.773 0.000 1.019 346 F HN 0.203 nan 8.300 nan 0.000 0.489 347 E N -0.369 119.723 120.200 -0.180 0.000 2.051 347 E HA -0.173 4.176 4.350 -0.001 0.000 0.192 347 E C 2.198 178.627 176.600 -0.286 0.000 0.991 347 E CA 1.924 58.199 56.400 -0.208 0.000 0.799 347 E CB -0.708 28.930 29.700 -0.104 0.000 0.748 347 E HN 0.354 nan 8.360 nan 0.000 0.449 348 T N 1.309 115.695 114.554 -0.281 0.000 2.708 348 T HA -0.129 4.221 4.350 -0.001 0.000 0.266 348 T C 1.985 176.457 174.700 -0.380 0.000 1.037 348 T CA 1.553 63.477 62.100 -0.293 0.000 1.146 348 T CB -0.244 68.454 68.868 -0.284 0.000 0.865 348 T HN 0.267 nan 8.240 nan 0.000 0.435 349 A N 1.587 124.095 122.820 -0.519 0.000 1.933 349 A HA -0.084 4.236 4.320 -0.001 0.000 0.218 349 A C 2.399 179.551 177.584 -0.720 0.000 1.175 349 A CA 1.982 53.697 52.037 -0.537 0.000 0.628 349 A CB -0.829 17.853 19.000 -0.530 0.000 0.814 349 A HN 0.610 nan 8.150 nan 0.000 0.444 350 T N -4.001 109.978 114.554 -0.959 0.000 3.134 350 T HA 0.553 4.903 4.350 -0.001 0.000 0.260 350 T C 1.461 175.754 174.700 -0.678 0.000 1.027 350 T CA 0.787 62.011 62.100 -1.460 0.000 0.913 350 T CB 0.269 68.207 68.868 -1.549 0.000 1.046 350 T HN 0.464 nan 8.240 nan 0.000 0.553 351 A N 2.533 125.123 122.820 -0.383 0.000 1.948 351 A HA -0.095 4.225 4.320 -0.001 0.000 0.220 351 A C 2.604 180.156 177.584 -0.053 0.000 1.177 351 A CA 2.096 54.027 52.037 -0.176 0.000 0.636 351 A CB -1.047 17.868 19.000 -0.141 0.000 0.815 351 A HN 0.790 nan 8.150 nan 0.000 0.449 352 S N -1.536 114.176 115.700 0.021 0.000 2.527 352 S HA 0.200 4.670 4.470 -0.001 0.000 0.222 352 S C 0.318 175.061 174.600 0.239 0.000 0.985 352 S CA -0.445 57.826 58.200 0.119 0.000 0.921 352 S CB -0.426 62.841 63.200 0.112 0.000 0.772 352 S HN 0.150 nan 8.310 nan 0.000 0.529 353 F N 2.804 122.710 119.950 -0.074 0.000 2.506 353 F HA 0.603 5.130 4.527 -0.001 0.000 0.351 353 F C 1.407 177.185 175.800 -0.036 0.000 1.136 353 F CA -0.829 57.136 58.000 -0.058 0.000 1.298 353 F CB -0.184 38.771 39.000 -0.075 0.000 1.145 353 F HN 0.199 nan 8.300 nan 0.000 0.593 354 G N 0.097 108.972 108.800 0.125 0.000 2.601 354 G HA2 0.606 4.566 3.960 -0.001 0.000 0.317 354 G HA3 0.606 4.566 3.960 -0.001 0.000 0.317 354 G C -1.176 173.773 174.900 0.081 0.000 1.246 354 G CA -0.711 44.434 45.100 0.075 0.000 1.012 354 G HN 0.841 nan 8.290 nan 0.000 0.494 355 A N 0.444 123.301 122.820 0.062 0.000 2.450 355 A HA 0.499 4.819 4.320 -0.001 0.000 0.255 355 A C 0.644 178.264 177.584 0.060 0.000 1.096 355 A CA -0.243 51.834 52.037 0.067 0.000 0.778 355 A CB 0.252 19.287 19.000 0.058 0.000 1.031 355 A HN 0.449 nan 8.150 nan 0.000 0.494 356 K N 1.514 121.960 120.400 0.077 0.000 2.149 356 K HA 0.187 4.507 4.320 -0.001 0.000 0.245 356 K C -0.069 176.587 176.600 0.093 0.000 1.024 356 K CA -0.233 56.099 56.287 0.075 0.000 0.899 356 K CB 0.334 32.894 32.500 0.100 0.000 1.038 356 K HN 0.695 nan 8.250 nan 0.000 0.496 357 Q N 1.982 121.846 119.800 0.108 0.000 2.274 357 Q HA 0.151 4.490 4.340 -0.001 0.000 0.256 357 Q C 0.180 176.360 176.000 0.300 0.000 0.927 357 Q CA -0.200 55.701 55.803 0.164 0.000 0.939 357 Q CB 1.235 30.064 28.738 0.152 0.000 1.201 357 Q HN 0.485 nan 8.270 nan 0.000 0.426 358 R N 1.891 122.531 120.500 0.234 0.000 2.500 358 R HA 0.349 4.688 4.340 -0.001 0.000 0.277 358 R C 0.296 176.666 176.300 0.116 0.000 1.026 358 R CA -0.684 55.554 56.100 0.231 0.000 1.058 358 R CB 0.599 30.969 30.300 0.117 0.000 1.078 358 R HN 0.612 nan 8.270 nan 0.000 0.509 359 H N -0.017 118.926 119.070 -0.211 0.000 2.603 359 H HA 0.140 4.695 4.556 -0.001 0.000 0.370 359 H C -1.010 174.296 175.328 -0.036 0.000 1.225 359 H CA -0.550 55.283 56.048 -0.358 0.000 1.410 359 H CB 0.740 30.169 29.762 -0.555 0.000 1.495 359 H HN 0.657 nan 8.280 nan 0.000 0.602 360 D N 1.593 121.941 120.400 -0.087 0.000 2.317 360 D HA 0.154 4.794 4.640 -0.001 0.000 0.234 360 D C 0.820 177.033 176.300 -0.144 0.000 1.112 360 D CA -0.664 53.272 54.000 -0.107 0.000 0.840 360 D CB 0.150 40.933 40.800 -0.028 0.000 1.078 360 D HN 0.663 nan 8.370 nan 0.000 0.486 361 I N 0.346 120.748 120.570 -0.280 0.000 4.009 361 I HA 0.307 4.477 4.170 -0.001 0.000 0.331 361 I C 0.993 176.980 176.117 -0.215 0.000 1.462 361 I CA -0.444 60.692 61.300 -0.274 0.000 1.117 361 I CB 0.552 38.249 38.000 -0.506 0.000 1.091 361 I HN 0.033 nan 8.210 nan 0.000 0.410 362 E N 2.475 122.580 120.200 -0.158 0.000 2.097 362 E HA -0.147 4.203 4.350 -0.001 0.000 0.196 362 E C -0.390 176.174 176.600 -0.060 0.000 1.000 362 E CA 1.670 58.005 56.400 -0.108 0.000 0.804 362 E CB -1.728 27.932 29.700 -0.067 0.000 0.740 362 E HN 0.483 nan 8.360 nan 0.000 0.454 363 P HA -0.140 nan 4.420 nan 0.000 0.216 363 P C 1.716 179.008 177.300 -0.013 0.000 1.150 363 P CA 0.794 63.968 63.100 0.123 0.000 0.837 363 P CB -0.045 31.820 31.700 0.275 0.000 0.786 364 L N -0.295 120.867 121.223 -0.102 0.000 2.027 364 L HA -0.060 4.279 4.340 -0.001 0.000 0.206 364 L C 2.316 178.954 176.870 -0.386 0.000 1.074 364 L CA 1.769 56.336 54.840 -0.454 0.000 0.745 364 L CB -0.917 41.024 42.059 -0.195 0.000 0.898 364 L HN -0.233 nan 8.230 nan 0.000 0.433 365 R N -0.412 119.940 120.500 -0.246 0.000 2.105 365 R HA -0.135 4.205 4.340 -0.001 0.000 0.239 365 R C 2.249 178.468 176.300 -0.136 0.000 1.135 365 R CA 1.309 57.298 56.100 -0.185 0.000 0.967 365 R CB -0.683 29.517 30.300 -0.166 0.000 0.861 365 R HN 0.546 nan 8.270 nan 0.000 0.442 366 A N 1.109 123.854 122.820 -0.125 0.000 1.902 366 A HA -0.203 4.117 4.320 -0.001 0.000 0.217 366 A C 2.132 179.671 177.584 -0.076 0.000 1.181 366 A CA 1.517 53.511 52.037 -0.071 0.000 0.623 366 A CB -0.370 18.611 19.000 -0.032 0.000 0.818 366 A HN 0.107 nan 8.150 nan 0.000 0.443 367 R N 0.189 120.570 120.500 -0.199 0.000 2.081 367 R HA -0.005 4.335 4.340 -0.001 0.000 0.235 367 R C 1.760 178.056 176.300 -0.007 0.000 1.131 367 R CA 1.763 57.754 56.100 -0.181 0.000 0.960 367 R CB -0.803 29.099 30.300 -0.662 0.000 0.856 367 R HN 0.563 nan 8.270 nan 0.000 0.436 368 I N 0.159 120.675 120.570 -0.090 0.000 2.179 368 I HA -0.239 3.931 4.170 -0.001 0.000 0.242 368 I C 2.252 178.477 176.117 0.181 0.000 1.088 368 I CA 1.431 62.785 61.300 0.088 0.000 1.357 368 I CB -0.399 37.580 38.000 -0.035 0.000 1.051 368 I HN 0.286 nan 8.210 nan 0.000 0.409 369 A N -0.033 122.830 122.820 0.072 0.000 1.972 369 A HA -0.260 4.059 4.320 -0.001 0.000 0.219 369 A C 2.323 179.948 177.584 0.069 0.000 1.169 369 A CA 1.831 53.905 52.037 0.063 0.000 0.635 369 A CB -0.602 18.410 19.000 0.020 0.000 0.810 369 A HN 0.512 nan 8.150 nan 0.000 0.446 370 E N -1.316 118.930 120.200 0.076 0.000 2.106 370 E HA -0.170 4.179 4.350 -0.001 0.000 0.192 370 E C 1.642 178.257 176.600 0.024 0.000 0.984 370 E CA 0.970 57.398 56.400 0.048 0.000 0.806 370 E CB -0.200 29.525 29.700 0.042 0.000 0.750 370 E HN 0.582 nan 8.360 nan 0.000 0.458 371 F N 1.055 120.945 119.950 -0.101 0.000 2.075 371 F HA -0.179 4.347 4.527 -0.001 0.000 0.297 371 F C 2.296 177.984 175.800 -0.187 0.000 1.113 371 F CA 1.272 59.116 58.000 -0.260 0.000 1.218 371 F CB -0.344 38.434 39.000 -0.370 0.000 0.984 371 F HN 0.032 nan 8.300 nan 0.000 0.472 372 L N -0.762 120.473 121.223 0.021 0.000 2.079 372 L HA -0.246 4.094 4.340 -0.001 0.000 0.210 372 L C 2.432 179.325 176.870 0.039 0.000 1.081 372 L CA 1.256 56.092 54.840 -0.006 0.000 0.752 372 L CB -0.898 41.179 42.059 0.030 0.000 0.896 372 L HN 0.159 nan 8.230 nan 0.000 0.433 373 A N -1.403 121.440 122.820 0.038 0.000 2.178 373 A HA -0.089 4.230 4.320 -0.001 0.000 0.211 373 A C 0.703 178.304 177.584 0.028 0.000 1.157 373 A CA -0.103 51.950 52.037 0.028 0.000 0.780 373 A CB -0.390 18.621 19.000 0.018 0.000 0.828 373 A HN 0.330 nan 8.150 nan 0.000 0.476 374 D N 1.139 121.565 120.400 0.044 0.000 3.167 374 D HA -0.067 4.572 4.640 -0.001 0.000 0.232 374 D C -1.356 174.973 176.300 0.047 0.000 1.231 374 D CA -0.500 53.533 54.000 0.056 0.000 0.845 374 D CB 0.793 41.697 40.800 0.174 0.000 1.157 374 D HN 0.248 nan 8.370 nan 0.000 0.576 375 P HA 0.023 nan 4.420 nan 0.000 0.251 375 P C 0.293 177.550 177.300 -0.072 0.000 1.223 375 P CA -0.034 63.051 63.100 -0.025 0.000 0.796 375 P CB 0.271 31.952 31.700 -0.031 0.000 1.068 376 E N 0.603 120.727 120.200 -0.126 0.000 2.413 376 E HA 0.093 4.442 4.350 -0.001 0.000 0.263 376 E C -0.459 175.928 176.600 -0.355 0.000 1.015 376 E CA 0.387 56.588 56.400 -0.332 0.000 0.916 376 E CB 0.306 29.629 29.700 -0.627 0.000 0.947 376 E HN -0.063 nan 8.360 nan 0.000 0.440 377 T N 4.543 118.899 114.554 -0.329 0.000 2.801 377 T HA 0.228 4.578 4.350 -0.001 0.000 0.306 377 T C -1.031 173.525 174.700 -0.240 0.000 1.020 377 T CA -0.311 61.676 62.100 -0.188 0.000 0.948 377 T CB -0.087 68.721 68.868 -0.100 0.000 0.962 377 T HN 0.251 nan 8.240 nan 0.000 0.465 378 Y N 1.428 121.702 120.300 -0.044 0.000 2.301 378 Y HA 0.214 4.764 4.550 -0.001 0.000 0.325 378 Y C 1.755 177.632 175.900 -0.038 0.000 1.203 378 Y CA -0.646 57.431 58.100 -0.038 0.000 1.255 378 Y CB 0.826 39.257 38.460 -0.047 0.000 1.232 378 Y HN 0.661 nan 8.280 nan 0.000 0.501 379 E N 0.603 120.871 120.200 0.113 0.000 2.158 379 E HA -0.129 4.220 4.350 -0.001 0.000 0.191 379 E C 0.076 176.703 176.600 0.045 0.000 0.982 379 E CA 1.126 57.558 56.400 0.052 0.000 0.823 379 E CB 0.092 29.812 29.700 0.033 0.000 0.766 379 E HN 0.673 nan 8.360 nan 0.000 0.468 380 D N -0.002 120.434 120.400 0.061 0.000 2.894 380 D HA 0.246 4.885 4.640 -0.001 0.000 0.248 380 D C 0.534 176.819 176.300 -0.025 0.000 1.291 380 D CA -0.034 53.974 54.000 0.014 0.000 0.840 380 D CB 0.184 40.990 40.800 0.010 0.000 1.044 380 D HN 0.127 nan 8.370 nan 0.000 0.484 381 G N 0.093 108.883 108.800 -0.015 0.000 2.663 381 G HA2 -0.148 3.811 3.960 -0.001 0.000 0.686 381 G HA3 -0.148 3.811 3.960 -0.001 0.000 0.686 381 G C -0.225 174.631 174.900 -0.073 0.000 1.288 381 G CA -0.690 44.373 45.100 -0.061 0.000 0.836 381 G HN 0.208 nan 8.290 nan 0.000 0.584 382 M N 0.381 119.916 119.600 -0.108 0.000 2.167 382 M HA 0.356 4.835 4.480 -0.001 0.000 0.300 382 M C 1.051 177.169 176.300 -0.302 0.000 1.171 382 M CA -0.014 55.201 55.300 -0.141 0.000 1.171 382 M CB 0.356 32.876 32.600 -0.133 0.000 1.396 382 M HN 0.491 nan 8.290 nan 0.000 0.466 383 R N 0.512 120.764 120.500 -0.413 0.000 2.540 383 R HA 0.305 4.644 4.340 -0.001 0.000 0.287 383 R C 0.837 176.809 176.300 -0.547 0.000 0.980 383 R CA -0.432 55.325 56.100 -0.572 0.000 0.966 383 R CB 0.958 30.758 30.300 -0.833 0.000 1.106 383 R HN 0.559 nan 8.270 nan 0.000 0.480 384 V N 3.006 122.633 119.914 -0.478 0.000 2.407 384 V HA -0.264 3.856 4.120 -0.001 0.000 0.248 384 V C 2.319 178.264 176.094 -0.249 0.000 1.055 384 V CA 2.073 64.150 62.300 -0.372 0.000 1.049 384 V CB -0.887 30.644 31.823 -0.485 0.000 0.662 384 V HN 0.761 nan 8.190 nan 0.000 0.455 385 H N 0.551 119.546 119.070 -0.125 0.000 2.387 385 H HA -0.213 4.343 4.556 -0.000 0.000 0.299 385 H C 2.039 177.287 175.328 -0.132 0.000 1.099 385 H CA 1.811 57.779 56.048 -0.134 0.000 1.315 385 H CB -0.548 29.119 29.762 -0.158 0.000 1.380 385 H HN 0.497 nan 8.280 nan 0.000 0.513 386 Q N 0.767 120.369 119.800 -0.330 0.000 2.119 386 Q HA -0.040 4.300 4.340 -0.001 0.000 0.201 386 Q C 2.796 178.740 176.000 -0.093 0.000 0.972 386 Q CA 1.355 57.063 55.803 -0.159 0.000 0.847 386 Q CB 0.150 28.779 28.738 -0.181 0.000 0.903 386 Q HN 0.277 nan 8.270 nan 0.000 0.433 387 V N 0.945 120.788 119.914 -0.118 0.000 2.295 387 V HA -0.261 3.859 4.120 -0.001 0.000 0.246 387 V C 2.105 178.204 176.094 0.009 0.000 1.049 387 V CA 1.650 63.912 62.300 -0.063 0.000 1.024 387 V CB -0.413 31.356 31.823 -0.090 0.000 0.648 387 V HN 0.326 nan 8.190 nan 0.000 0.447 388 I N 0.348 120.943 120.570 0.043 0.000 2.252 388 I HA -0.234 3.936 4.170 -0.001 0.000 0.245 388 I C 2.331 178.511 176.117 0.104 0.000 1.102 388 I CA 1.917 63.288 61.300 0.119 0.000 1.385 388 I CB -0.415 37.703 38.000 0.197 0.000 1.064 388 I HN 0.373 nan 8.210 nan 0.000 0.414 389 D N 0.510 120.943 120.400 0.055 0.000 2.123 389 D HA -0.182 4.457 4.640 -0.001 0.000 0.196 389 D C 2.209 178.548 176.300 0.065 0.000 0.992 389 D CA 1.749 55.780 54.000 0.053 0.000 0.833 389 D CB 0.115 40.930 40.800 0.025 0.000 0.954 389 D HN 0.173 nan 8.370 nan 0.000 0.455 390 S N -0.626 115.105 115.700 0.053 0.000 2.368 390 S HA -0.147 4.323 4.470 -0.001 0.000 0.225 390 S C 2.089 176.758 174.600 0.115 0.000 1.030 390 S CA 1.089 59.326 58.200 0.060 0.000 0.999 390 S CB -0.290 62.925 63.200 0.026 0.000 0.844 390 S HN 0.347 nan 8.310 nan 0.000 0.459 391 M N 1.656 121.344 119.600 0.146 0.000 2.108 391 M HA -0.137 4.342 4.480 -0.001 0.000 0.261 391 M C 1.852 178.317 176.300 0.275 0.000 1.066 391 M CA 1.144 56.614 55.300 0.283 0.000 1.107 391 M CB -0.685 32.092 32.600 0.296 0.000 1.356 391 M HN 0.214 nan 8.290 nan 0.000 0.406 392 N N 0.122 118.923 118.700 0.168 0.000 2.069 392 N HA -0.123 4.617 4.740 -0.001 0.000 0.191 392 N C 1.701 177.265 175.510 0.090 0.000 1.031 392 N CA 1.949 55.066 53.050 0.110 0.000 0.852 392 N CB -0.921 37.622 38.487 0.093 0.000 1.018 392 N HN 0.317 nan 8.380 nan 0.000 0.423 393 T N 1.139 115.750 114.554 0.096 0.000 2.635 393 T HA -0.083 4.266 4.350 -0.001 0.000 0.267 393 T C 2.110 176.866 174.700 0.094 0.000 1.040 393 T CA 1.410 63.558 62.100 0.079 0.000 1.156 393 T CB -0.429 68.480 68.868 0.068 0.000 0.863 393 T HN 0.007 nan 8.240 nan 0.000 0.430 394 V N 1.156 121.165 119.914 0.158 0.000 2.548 394 V HA -0.099 4.021 4.120 -0.001 0.000 0.249 394 V C 2.373 178.572 176.094 0.175 0.000 1.055 394 V CA 1.430 63.854 62.300 0.206 0.000 1.065 394 V CB -0.646 31.349 31.823 0.286 0.000 0.681 394 V HN 0.364 nan 8.190 nan 0.000 0.462 395 M N 0.809 120.452 119.600 0.071 0.000 2.086 395 M HA -0.180 4.299 4.480 -0.001 0.000 0.261 395 M C 2.062 178.291 176.300 -0.119 0.000 1.067 395 M CA 1.980 57.114 55.300 -0.275 0.000 1.116 395 M CB -0.769 31.599 32.600 -0.387 0.000 1.348 395 M HN 0.403 nan 8.290 nan 0.000 0.407 396 E N -0.359 119.820 120.200 -0.035 0.000 2.085 396 E HA -0.255 4.095 4.350 -0.001 0.000 0.194 396 E C 1.828 178.428 176.600 -0.001 0.000 0.994 396 E CA 1.777 58.169 56.400 -0.012 0.000 0.801 396 E CB -0.123 29.583 29.700 0.010 0.000 0.743 396 E HN 0.707 nan 8.360 nan 0.000 0.453 397 E N -0.075 120.137 120.200 0.019 0.000 2.031 397 E HA -0.195 4.155 4.350 -0.001 0.000 0.193 397 E C 1.998 178.610 176.600 0.021 0.000 0.994 397 E CA 1.132 57.548 56.400 0.027 0.000 0.800 397 E CB -0.132 29.596 29.700 0.046 0.000 0.752 397 E HN 0.326 nan 8.360 nan 0.000 0.447 398 A N 1.238 124.072 122.820 0.023 0.000 1.929 398 A HA 0.177 4.497 4.320 -0.001 0.000 0.216 398 A C 1.376 178.954 177.584 -0.010 0.000 1.176 398 A CA 0.857 52.908 52.037 0.023 0.000 0.628 398 A CB -0.167 18.873 19.000 0.066 0.000 0.816 398 A HN 0.241 nan 8.150 nan 0.000 0.444 399 A N 0.610 123.403 122.820 -0.044 0.000 2.316 399 A HA 0.516 4.836 4.320 -0.001 0.000 0.284 399 A C -0.023 177.550 177.584 -0.019 0.000 1.115 399 A CA -0.589 51.422 52.037 -0.044 0.000 0.812 399 A CB 0.240 19.195 19.000 -0.076 0.000 1.064 399 A HN 0.351 nan 8.150 nan 0.000 0.489 400 E N 1.155 121.349 120.200 -0.009 0.000 2.408 400 E HA 0.185 4.535 4.350 -0.001 0.000 0.259 400 E C -2.268 174.331 176.600 -0.002 0.000 1.110 400 E CA -1.520 54.879 56.400 -0.001 0.000 0.929 400 E CB -0.364 29.338 29.700 0.003 0.000 0.971 400 E HN 0.352 nan 8.360 nan 0.000 0.438 401 P HA 0.020 nan 4.420 nan 0.000 0.265 401 P C 0.538 177.844 177.300 0.009 0.000 1.193 401 P CA 0.907 64.011 63.100 0.007 0.000 0.765 401 P CB 0.348 32.054 31.700 0.010 0.000 0.823 402 G N 1.054 109.860 108.800 0.011 0.000 2.155 402 G HA2 -0.243 3.717 3.960 -0.001 0.000 0.257 402 G HA3 -0.243 3.717 3.960 -0.001 0.000 0.257 402 G C -0.004 174.904 174.900 0.013 0.000 0.983 402 G CA 0.029 45.138 45.100 0.014 0.000 0.676 402 G HN 0.574 nan 8.290 nan 0.000 0.528 403 E N -1.183 119.020 120.200 0.005 0.000 2.404 403 E HA 0.660 5.010 4.350 -0.001 0.000 0.264 403 E C 0.413 177.003 176.600 -0.016 0.000 0.946 403 E CA -0.473 55.928 56.400 0.002 0.000 0.806 403 E CB 1.961 31.662 29.700 0.000 0.000 1.334 403 E HN 1.528 nan 8.360 nan 0.000 0.429 404 G N 0.141 108.928 108.800 -0.022 0.000 2.675 404 G HA2 -0.076 3.883 3.960 -0.001 0.000 0.686 404 G HA3 -0.076 3.883 3.960 -0.001 0.000 0.686 404 G C -0.863 174.023 174.900 -0.024 0.000 1.215 404 G CA -0.631 44.432 45.100 -0.061 0.000 0.777 404 G HN 0.406 nan 8.290 nan 0.000 0.638 405 T N 1.041 115.574 114.554 -0.036 0.000 2.921 405 T HA 0.635 4.985 4.350 -0.001 0.000 0.297 405 T C 0.172 174.889 174.700 0.029 0.000 1.013 405 T CA -0.482 61.632 62.100 0.023 0.000 0.990 405 T CB 1.494 70.383 68.868 0.035 0.000 1.023 405 T HN 0.680 nan 8.240 nan 0.000 0.447 406 I N 2.843 123.474 120.570 0.102 0.000 2.354 406 I HA 0.497 4.666 4.170 -0.001 0.000 0.292 406 I C -0.402 175.762 176.117 0.079 0.000 0.989 406 I CA -1.038 60.370 61.300 0.179 0.000 1.188 406 I CB 1.612 39.800 38.000 0.315 0.000 1.342 406 I HN 0.273 nan 8.210 nan 0.000 0.457 407 V N 4.827 124.780 119.914 0.064 0.000 2.483 407 V HA 0.418 4.538 4.120 -0.001 0.000 0.295 407 V C -0.013 176.100 176.094 0.030 0.000 1.035 407 V CA -0.448 61.826 62.300 -0.043 0.000 0.896 407 V CB 1.838 33.661 31.823 0.000 0.000 0.986 407 V HN 0.770 nan 8.190 nan 0.000 0.447 408 S N 2.573 118.243 115.700 -0.051 0.000 2.502 408 S HA 0.380 4.849 4.470 -0.001 0.000 0.304 408 S C -0.461 174.302 174.600 0.272 0.000 1.097 408 S CA -0.668 57.644 58.200 0.187 0.000 1.045 408 S CB 1.359 64.678 63.200 0.198 0.000 1.019 408 S HN 0.880 nan 8.310 nan 0.000 0.481 409 D N 2.094 122.770 120.400 0.459 0.000 2.348 409 D HA 0.259 4.898 4.640 -0.001 0.000 0.272 409 D C -0.110 176.386 176.300 0.326 0.000 1.237 409 D CA -0.123 54.171 54.000 0.490 0.000 1.042 409 D CB 0.464 41.582 40.800 0.530 0.000 1.117 409 D HN 0.433 nan 8.370 nan 0.000 0.548 410 I N -0.425 120.335 120.570 0.317 0.000 2.441 410 I HA 0.598 4.768 4.170 -0.001 0.000 0.295 410 I C 0.945 177.125 176.117 0.105 0.000 0.994 410 I CA -0.285 61.051 61.300 0.060 0.000 1.144 410 I CB 0.491 38.576 38.000 0.141 0.000 1.314 410 I HN 0.571 nan 8.210 nan 0.000 0.445 411 G N 3.980 112.667 108.800 -0.188 0.000 2.341 411 G HA2 0.088 4.047 3.960 -0.001 0.000 0.293 411 G HA3 0.088 4.047 3.960 -0.001 0.000 0.293 411 G C -0.318 174.513 174.900 -0.116 0.000 1.298 411 G CA -0.672 44.446 45.100 0.030 0.000 0.868 411 G HN 0.311 nan 8.290 nan 0.000 0.540 412 F N 0.961 120.858 119.950 -0.088 0.000 2.126 412 F HA -0.002 4.524 4.527 -0.001 0.000 0.299 412 F C 2.614 178.368 175.800 -0.076 0.000 1.096 412 F CA 2.430 60.316 58.000 -0.189 0.000 1.255 412 F CB -0.635 38.114 39.000 -0.419 0.000 0.997 412 F HN 0.491 nan 8.300 nan 0.000 0.479 413 F N 0.454 120.398 119.950 -0.010 0.000 2.192 413 F HA -0.166 4.360 4.527 -0.000 0.000 0.301 413 F C 2.349 178.187 175.800 0.063 0.000 1.079 413 F CA 1.649 59.663 58.000 0.023 0.000 1.303 413 F CB -1.268 37.793 39.000 0.102 0.000 1.024 413 F HN -0.081 nan 8.300 nan 0.000 0.494 414 R N 0.619 120.462 120.500 -1.095 0.000 2.096 414 R HA -0.179 4.160 4.340 -0.001 0.000 0.235 414 R C 2.094 178.061 176.300 -0.555 0.000 1.127 414 R CA 2.018 57.638 56.100 -0.801 0.000 0.968 414 R CB -0.961 28.784 30.300 -0.926 0.000 0.861 414 R HN 0.511 nan 8.270 nan 0.000 0.440 415 H N -1.290 117.523 119.070 -0.429 0.000 2.495 415 H HA -0.089 4.466 4.556 -0.001 0.000 0.287 415 H C 1.630 176.713 175.328 -0.407 0.000 1.033 415 H CA 1.069 56.836 56.048 -0.469 0.000 1.307 415 H CB -0.104 29.309 29.762 -0.582 0.000 1.401 415 H HN 0.261 nan 8.280 nan 0.000 0.555 416 Y N 0.835 121.002 120.300 -0.220 0.000 2.200 416 Y HA -0.102 4.447 4.550 -0.000 0.000 0.290 416 Y C 2.874 178.789 175.900 0.025 0.000 1.137 416 Y CA 1.096 59.211 58.100 0.025 0.000 1.163 416 Y CB -0.594 37.980 38.460 0.191 0.000 0.988 416 Y HN 0.192 nan 8.280 nan 0.000 0.518 417 G N -0.420 108.456 108.800 0.126 0.000 2.446 417 G HA2 -0.244 3.716 3.960 -0.001 0.000 0.217 417 G HA3 -0.244 3.716 3.960 -0.001 0.000 0.217 417 G C 1.831 176.376 174.900 -0.591 0.000 1.168 417 G CA 1.452 46.542 45.100 -0.017 0.000 0.771 417 G HN 0.276 nan 8.290 nan 0.000 0.551 418 V N 0.868 120.458 119.914 -0.540 0.000 2.287 418 V HA -0.155 3.965 4.120 -0.001 0.000 0.248 418 V C 2.910 178.690 176.094 -0.523 0.000 1.053 418 V CA 1.687 63.622 62.300 -0.609 0.000 1.027 418 V CB -0.391 31.129 31.823 -0.505 0.000 0.646 418 V HN 0.353 nan 8.190 nan 0.000 0.447 419 L N -2.000 118.883 121.223 -0.566 0.000 2.179 419 L HA -0.028 4.311 4.340 -0.001 0.000 0.208 419 L C 2.043 178.484 176.870 -0.715 0.000 1.096 419 L CA 1.410 55.788 54.840 -0.771 0.000 0.779 419 L CB -0.250 41.038 42.059 -1.284 0.000 0.922 419 L HN 0.304 nan 8.230 nan 0.000 0.443 420 F N -0.780 119.050 119.950 -0.199 0.000 2.740 420 F HA 0.352 4.879 4.527 -0.000 0.000 0.304 420 F C 1.322 177.062 175.800 -0.099 0.000 1.098 420 F CA -0.733 57.206 58.000 -0.102 0.000 1.258 420 F CB -0.302 38.705 39.000 0.011 0.000 1.061 420 F HN -0.219 nan 8.300 nan 0.000 0.598 421 A N 1.848 124.637 122.820 -0.052 0.000 2.440 421 A HA 0.333 4.653 4.320 -0.001 0.000 0.251 421 A C 0.660 178.214 177.584 -0.050 0.000 1.089 421 A CA -0.403 51.607 52.037 -0.045 0.000 0.779 421 A CB 0.042 18.973 19.000 -0.116 0.000 1.022 421 A HN 0.338 nan 8.150 nan 0.000 0.492 422 R N 1.777 122.306 120.500 0.048 0.000 2.537 422 R HA 0.432 4.771 4.340 -0.001 0.000 0.280 422 R C -0.441 175.903 176.300 0.072 0.000 1.058 422 R CA 0.625 56.753 56.100 0.045 0.000 1.057 422 R CB 0.340 30.668 30.300 0.047 0.000 0.973 422 R HN 0.869 nan 8.270 nan 0.000 0.438 423 A N 4.062 126.917 122.820 0.057 0.000 2.499 423 A HA 0.192 4.512 4.320 -0.001 0.000 0.280 423 A C -0.893 176.720 177.584 0.049 0.000 1.135 423 A CA -0.743 51.344 52.037 0.085 0.000 0.744 423 A CB 1.479 20.553 19.000 0.124 0.000 1.213 423 A HN 0.863 nan 8.150 nan 0.000 0.434 424 D N 1.421 121.844 120.400 0.039 0.000 2.363 424 D HA 0.153 4.792 4.640 -0.001 0.000 0.214 424 D C 0.502 176.815 176.300 0.021 0.000 1.093 424 D CA 0.841 54.857 54.000 0.027 0.000 0.837 424 D CB 0.270 41.081 40.800 0.020 0.000 0.948 424 D HN 0.761 nan 8.370 nan 0.000 0.507 425 Q N -1.616 118.197 119.800 0.022 0.000 2.575 425 Q HA 0.508 4.848 4.340 -0.001 0.000 0.290 425 Q C -3.022 172.966 176.000 -0.020 0.000 0.963 425 Q CA -2.143 53.663 55.803 0.005 0.000 0.783 425 Q CB 1.334 30.084 28.738 0.020 0.000 1.467 425 Q HN -0.265 nan 8.270 nan 0.000 0.402 426 P HA 0.024 nan 4.420 nan 0.000 0.264 426 P C -0.864 176.330 177.300 -0.176 0.000 1.183 426 P CA 0.451 63.391 63.100 -0.267 0.000 0.763 426 P CB -0.080 31.396 31.700 -0.374 0.000 0.807 427 F N 0.838 120.823 119.950 0.059 0.000 3.057 427 F HA -0.192 4.335 4.527 -0.001 0.000 0.287 427 F C 1.652 177.488 175.800 0.061 0.000 0.834 427 F CA 1.141 59.176 58.000 0.057 0.000 1.147 427 F CB -2.613 36.406 39.000 0.032 0.000 1.245 427 F HN 0.479 nan 8.300 nan 0.000 0.509 428 G N -1.174 107.742 108.800 0.193 0.000 2.484 428 G HA2 0.063 4.023 3.960 -0.001 0.000 0.218 428 G HA3 0.063 4.023 3.960 -0.001 0.000 0.218 428 G C 0.165 175.203 174.900 0.230 0.000 1.130 428 G CA 0.621 45.818 45.100 0.160 0.000 0.784 428 G HN 0.351 nan 8.290 nan 0.000 0.543 429 F N 0.894 120.909 119.950 0.109 0.000 2.467 429 F HA 0.676 5.202 4.527 -0.001 0.000 0.336 429 F C -0.944 174.953 175.800 0.162 0.000 1.123 429 F CA -1.504 56.565 58.000 0.115 0.000 0.964 429 F CB 1.374 40.426 39.000 0.087 0.000 1.136 429 F HN -0.245 nan 8.300 nan 0.000 0.447 430 L N 6.162 127.085 121.223 -0.500 0.000 2.356 430 L HA 0.656 4.996 4.340 -0.001 0.000 0.277 430 L C -0.213 176.391 176.870 -0.444 0.000 0.996 430 L CA -0.474 54.196 54.840 -0.284 0.000 0.822 430 L CB 2.049 44.059 42.059 -0.082 0.000 1.256 430 L HN 0.723 nan 8.230 nan 0.000 0.413 431 T N 0.407 114.831 114.554 -0.216 0.000 2.762 431 T HA 0.275 4.625 4.350 -0.001 0.000 0.301 431 T C -1.290 173.218 174.700 -0.321 0.000 1.299 431 T CA -0.335 61.663 62.100 -0.171 0.000 1.005 431 T CB 2.129 70.856 68.868 -0.235 0.000 1.377 431 T HN 0.403 nan 8.240 nan 0.000 0.504 432 S N 0.983 116.250 115.700 -0.722 0.000 2.404 432 S HA 0.603 5.072 4.470 -0.001 0.000 0.309 432 S C 0.954 175.421 174.600 -0.222 0.000 1.076 432 S CA 0.006 57.799 58.200 -0.679 0.000 1.095 432 S CB 0.189 62.743 63.200 -1.075 0.000 0.972 432 S HN 0.789 nan 8.310 nan 0.000 0.484 433 A N 4.376 127.144 122.820 -0.087 0.000 1.943 433 A HA 0.310 4.630 4.320 -0.001 0.000 0.213 433 A C 1.881 179.418 177.584 -0.079 0.000 1.181 433 A CA 1.007 53.038 52.037 -0.010 0.000 0.653 433 A CB -0.807 18.144 19.000 -0.083 0.000 0.833 433 A HN 0.826 nan 8.150 nan 0.000 0.451 434 G N -1.578 107.165 108.800 -0.095 0.000 2.437 434 G HA2 -0.077 3.883 3.960 -0.001 0.000 0.212 434 G HA3 -0.077 3.883 3.960 -0.001 0.000 0.212 434 G C 1.639 176.497 174.900 -0.069 0.000 1.174 434 G CA 1.110 46.155 45.100 -0.092 0.000 0.811 434 G HN 0.513 nan 8.290 nan 0.000 0.537 435 C N -0.116 119.147 119.300 -0.062 0.000 2.541 435 C HA 0.384 4.844 4.460 -0.001 0.000 0.284 435 C C 1.783 176.751 174.990 -0.037 0.000 1.341 435 C CA 1.274 60.272 59.018 -0.034 0.000 1.732 435 C CB -0.462 27.282 27.740 0.007 0.000 2.126 435 C HN 0.459 nan 8.230 nan 0.000 0.505 436 S N 1.255 116.911 115.700 -0.074 0.000 3.706 436 S HA -0.164 4.306 4.470 -0.001 0.000 0.363 436 S C 0.090 174.694 174.600 0.006 0.000 0.999 436 S CA 0.689 58.852 58.200 -0.061 0.000 1.143 436 S CB -1.776 61.412 63.200 -0.021 0.000 0.902 436 S HN 0.877 nan 8.310 nan 0.000 0.476 437 S N 2.106 117.854 115.700 0.080 0.000 2.510 437 S HA 0.506 4.976 4.470 -0.001 0.000 0.279 437 S C 0.571 175.364 174.600 0.321 0.000 1.284 437 S CA -0.736 57.553 58.200 0.149 0.000 1.059 437 S CB -0.046 63.283 63.200 0.215 0.000 0.901 437 S HN 0.528 nan 8.310 nan 0.000 0.491 438 F N 3.661 123.648 119.950 0.061 0.000 2.496 438 F HA 0.561 5.088 4.527 -0.000 0.000 0.344 438 F C 1.253 177.114 175.800 0.103 0.000 1.155 438 F CA -0.977 57.094 58.000 0.119 0.000 1.302 438 F CB -1.018 38.054 39.000 0.120 0.000 1.159 438 F HN 0.828 nan 8.300 nan 0.000 0.595 439 G N 1.973 110.906 108.800 0.222 0.000 2.195 439 G HA2 -0.399 3.561 3.960 -0.001 0.000 0.246 439 G HA3 -0.399 3.561 3.960 -0.001 0.000 0.246 439 G C 0.751 175.907 174.900 0.425 0.000 0.984 439 G CA 0.371 45.563 45.100 0.154 0.000 0.633 439 G HN 1.019 nan 8.290 nan 0.000 0.525 440 Y N 1.754 122.275 120.300 0.367 0.000 2.256 440 Y HA 0.067 4.617 4.550 -0.001 0.000 0.288 440 Y C 2.532 178.479 175.900 0.079 0.000 1.155 440 Y CA 2.598 60.839 58.100 0.236 0.000 1.203 440 Y CB -0.486 38.098 38.460 0.205 0.000 0.980 440 Y HN 0.261 nan 8.280 nan 0.000 0.530 441 G N 0.735 109.636 108.800 0.168 0.000 2.514 441 G HA2 -0.303 3.657 3.960 -0.001 0.000 0.217 441 G HA3 -0.303 3.657 3.960 -0.001 0.000 0.217 441 G C 1.758 176.621 174.900 -0.063 0.000 1.198 441 G CA 1.480 46.624 45.100 0.074 0.000 0.780 441 G HN 0.491 nan 8.290 nan 0.000 0.565 442 I N 1.931 122.477 120.570 -0.040 0.000 2.099 442 I HA -0.142 4.027 4.170 -0.001 0.000 0.239 442 I C 0.115 176.131 176.117 -0.169 0.000 1.066 442 I CA 1.483 62.740 61.300 -0.072 0.000 1.324 442 I CB -0.793 37.147 38.000 -0.099 0.000 1.037 442 I HN 0.204 nan 8.210 nan 0.000 0.401 443 P HA -0.172 nan 4.420 nan 0.000 0.218 443 P C 1.315 178.353 177.300 -0.436 0.000 1.148 443 P CA 2.000 64.877 63.100 -0.372 0.000 0.822 443 P CB -0.075 31.316 31.700 -0.515 0.000 0.784 444 A N 0.510 122.994 122.820 -0.560 0.000 1.898 444 A HA -0.011 4.309 4.320 -0.001 0.000 0.216 444 A C 2.482 179.897 177.584 -0.281 0.000 1.181 444 A CA 2.014 53.720 52.037 -0.551 0.000 0.620 444 A CB -1.506 16.990 19.000 -0.839 0.000 0.819 444 A HN 0.213 nan 8.150 nan 0.000 0.442 445 A N 0.064 122.772 122.820 -0.188 0.000 1.902 445 A HA -0.095 4.224 4.320 -0.001 0.000 0.217 445 A C 2.111 179.651 177.584 -0.073 0.000 1.181 445 A CA 1.522 53.512 52.037 -0.078 0.000 0.623 445 A CB -0.630 18.362 19.000 -0.013 0.000 0.818 445 A HN 0.497 nan 8.150 nan 0.000 0.443 446 I N -0.316 120.191 120.570 -0.106 0.000 2.127 446 I HA -0.251 3.918 4.170 -0.001 0.000 0.241 446 I C 2.756 178.817 176.117 -0.092 0.000 1.075 446 I CA 1.346 62.599 61.300 -0.079 0.000 1.334 446 I CB -0.730 37.215 38.000 -0.092 0.000 1.040 446 I HN 0.401 nan 8.210 nan 0.000 0.405 447 G N 0.270 108.951 108.800 -0.198 0.000 2.446 447 G HA2 -0.257 3.703 3.960 -0.001 0.000 0.217 447 G HA3 -0.257 3.703 3.960 -0.001 0.000 0.217 447 G C 1.844 176.680 174.900 -0.106 0.000 1.168 447 G CA 0.897 45.877 45.100 -0.201 0.000 0.771 447 G HN 0.511 nan 8.290 nan 0.000 0.551 448 A N 0.137 122.895 122.820 -0.103 0.000 1.902 448 A HA -0.096 4.224 4.320 -0.001 0.000 0.217 448 A C 2.328 179.905 177.584 -0.012 0.000 1.181 448 A CA 2.287 54.293 52.037 -0.051 0.000 0.623 448 A CB -0.489 18.485 19.000 -0.043 0.000 0.818 448 A HN 0.415 nan 8.150 nan 0.000 0.443 449 Q N -0.514 119.284 119.800 -0.003 0.000 2.079 449 Q HA -0.062 4.278 4.340 -0.001 0.000 0.200 449 Q C 2.005 178.020 176.000 0.025 0.000 0.974 449 Q CA 2.013 57.829 55.803 0.021 0.000 0.840 449 Q CB -0.390 28.367 28.738 0.032 0.000 0.898 449 Q HN 0.690 nan 8.270 nan 0.000 0.430 450 M N -0.919 118.698 119.600 0.028 0.000 2.159 450 M HA -0.108 4.372 4.480 -0.001 0.000 0.263 450 M C 2.087 178.409 176.300 0.037 0.000 1.063 450 M CA 1.425 56.752 55.300 0.045 0.000 1.110 450 M CB -0.281 32.375 32.600 0.093 0.000 1.374 450 M HN 0.329 nan 8.290 nan 0.000 0.411 451 A N 0.336 123.170 122.820 0.024 0.000 1.969 451 A HA -0.051 4.269 4.320 -0.001 0.000 0.218 451 A C 1.282 178.882 177.584 0.026 0.000 1.169 451 A CA 1.156 53.206 52.037 0.021 0.000 0.635 451 A CB -0.178 18.824 19.000 0.004 0.000 0.810 451 A HN 0.436 nan 8.150 nan 0.000 0.445 452 R N -0.554 119.961 120.500 0.025 0.000 2.748 452 R HA 0.203 4.543 4.340 -0.001 0.000 0.283 452 R C -2.175 174.141 176.300 0.026 0.000 1.507 452 R CA -1.525 54.591 56.100 0.027 0.000 1.666 452 R CB 0.988 31.305 30.300 0.029 0.000 1.237 452 R HN 0.274 nan 8.270 nan 0.000 0.633 453 P HA -0.164 nan 4.420 nan 0.000 0.218 453 P C -0.037 177.279 177.300 0.026 0.000 1.148 453 P CA 1.298 64.413 63.100 0.026 0.000 0.822 453 P CB 0.388 32.102 31.700 0.022 0.000 0.784 454 D N -1.064 119.350 120.400 0.023 0.000 2.363 454 D HA 0.090 4.730 4.640 -0.001 0.000 0.214 454 D C 0.703 177.015 176.300 0.020 0.000 1.093 454 D CA 0.285 54.298 54.000 0.022 0.000 0.837 454 D CB 0.410 41.221 40.800 0.018 0.000 0.948 454 D HN 0.374 nan 8.370 nan 0.000 0.507 455 Q N 0.867 120.679 119.800 0.021 0.000 2.301 455 Q HA 0.417 4.756 4.340 -0.001 0.000 0.267 455 Q C -2.570 173.440 176.000 0.017 0.000 1.035 455 Q CA -2.033 53.777 55.803 0.012 0.000 0.856 455 Q CB 1.980 30.723 28.738 0.008 0.000 1.337 455 Q HN -0.126 nan 8.270 nan 0.000 0.450 456 P HA 0.071 nan 4.420 nan 0.000 0.271 456 P C -1.085 176.213 177.300 -0.004 0.000 1.216 456 P CA -0.052 63.055 63.100 0.011 0.000 0.771 456 P CB 0.662 32.306 31.700 -0.094 0.000 0.864 457 T N 3.828 118.463 114.554 0.136 0.000 2.864 457 T HA 0.488 4.837 4.350 -0.001 0.000 0.299 457 T C -0.654 174.295 174.700 0.415 0.000 1.011 457 T CA -0.203 61.994 62.100 0.161 0.000 0.975 457 T CB -0.004 68.930 68.868 0.109 0.000 0.962 457 T HN 0.042 nan 8.240 nan 0.000 0.448 458 F N 2.777 122.759 119.950 0.053 0.000 2.422 458 F HA 0.716 5.242 4.527 -0.000 0.000 0.333 458 F C -0.042 175.789 175.800 0.052 0.000 1.095 458 F CA -2.150 55.883 58.000 0.056 0.000 1.038 458 F CB 1.422 40.464 39.000 0.069 0.000 1.156 458 F HN 0.318 nan 8.300 nan 0.000 0.483 459 L N 4.909 126.250 121.223 0.197 0.000 2.365 459 L HA 0.676 5.016 4.340 -0.001 0.000 0.273 459 L C -1.287 175.625 176.870 0.070 0.000 1.000 459 L CA -0.535 54.380 54.840 0.125 0.000 0.819 459 L CB 1.615 43.729 42.059 0.091 0.000 1.284 459 L HN 0.583 nan 8.230 nan 0.000 0.418 460 I N 4.668 125.304 120.570 0.110 0.000 2.404 460 I HA 0.871 5.041 4.170 -0.001 0.000 0.293 460 I C -0.892 175.212 176.117 -0.023 0.000 0.992 460 I CA -0.226 61.083 61.300 0.016 0.000 1.149 460 I CB 1.452 39.525 38.000 0.122 0.000 1.315 460 I HN 0.900 nan 8.210 nan 0.000 0.446 461 A N 4.951 127.555 122.820 -0.360 0.000 2.549 461 A HA 0.781 5.101 4.320 -0.001 0.000 0.297 461 A C -0.458 176.636 177.584 -0.817 0.000 1.061 461 A CA -0.345 51.446 52.037 -0.410 0.000 0.690 461 A CB 1.280 20.305 19.000 0.042 0.000 1.287 461 A HN 0.840 nan 8.150 nan 0.000 0.402 462 G N -0.031 108.306 108.800 -0.770 0.000 2.562 462 G HA2 0.421 4.381 3.960 -0.001 0.000 0.275 462 G HA3 0.421 4.381 3.960 -0.001 0.000 0.275 462 G C 0.481 175.285 174.900 -0.160 0.000 1.196 462 G CA 0.332 45.203 45.100 -0.380 0.000 0.908 462 G HN 0.811 nan 8.290 nan 0.000 0.524 463 D N 0.003 120.334 120.400 -0.116 0.000 2.144 463 D HA -0.107 4.533 4.640 -0.001 0.000 0.200 463 D C 2.170 178.534 176.300 0.107 0.000 0.978 463 D CA 1.311 55.252 54.000 -0.099 0.000 0.833 463 D CB -0.763 40.101 40.800 0.107 0.000 0.961 463 D HN 0.470 nan 8.370 nan 0.000 0.470 464 G N 0.993 109.940 108.800 0.245 0.000 2.453 464 G HA2 -0.174 3.785 3.960 -0.001 0.000 0.215 464 G HA3 -0.174 3.785 3.960 -0.001 0.000 0.215 464 G C 1.789 176.721 174.900 0.053 0.000 1.201 464 G CA 1.268 46.541 45.100 0.288 0.000 0.784 464 G HN 0.470 nan 8.290 nan 0.000 0.545 465 G N 0.101 109.003 108.800 0.171 0.000 2.404 465 G HA2 -0.143 3.817 3.960 -0.001 0.000 0.215 465 G HA3 -0.143 3.817 3.960 -0.001 0.000 0.215 465 G C 1.657 176.481 174.900 -0.126 0.000 1.174 465 G CA 0.860 45.944 45.100 -0.028 0.000 0.780 465 G HN 0.323 nan 8.290 nan 0.000 0.537 466 F N 0.945 120.823 119.950 -0.120 0.000 2.095 466 F HA -0.119 4.408 4.527 -0.001 0.000 0.298 466 F C 2.476 178.239 175.800 -0.061 0.000 1.104 466 F CA 2.071 59.992 58.000 -0.132 0.000 1.232 466 F CB -0.264 38.571 39.000 -0.275 0.000 0.987 466 F HN 0.260 nan 8.300 nan 0.000 0.475 467 H N -0.181 118.858 119.070 -0.051 0.000 2.495 467 H HA -0.034 4.522 4.556 -0.001 0.000 0.287 467 H C 2.458 177.608 175.328 -0.296 0.000 1.033 467 H CA 1.086 57.089 56.048 -0.075 0.000 1.307 467 H CB -0.456 29.355 29.762 0.081 0.000 1.401 467 H HN 0.349 nan 8.280 nan 0.000 0.555 468 S N -0.801 114.617 115.700 -0.471 0.000 2.419 468 S HA -0.176 4.294 4.470 -0.001 0.000 0.235 468 S C 1.511 175.817 174.600 -0.490 0.000 1.019 468 S CA 1.622 59.443 58.200 -0.633 0.000 0.982 468 S CB -0.094 62.329 63.200 -1.296 0.000 0.789 468 S HN 0.462 nan 8.310 nan 0.000 0.490 469 N N 0.013 118.451 118.700 -0.437 0.000 2.390 469 N HA 0.218 4.958 4.740 -0.001 0.000 0.259 469 N C 0.798 176.073 175.510 -0.392 0.000 1.395 469 N CA 0.542 53.392 53.050 -0.333 0.000 0.852 469 N CB 0.629 39.019 38.487 -0.161 0.000 1.371 469 N HN 0.384 nan 8.380 nan 0.000 0.491 470 S N -2.100 113.329 115.700 -0.450 0.000 2.515 470 S HA 0.009 4.479 4.470 -0.001 0.000 0.231 470 S C 1.657 176.125 174.600 -0.220 0.000 0.987 470 S CA 0.526 58.423 58.200 -0.505 0.000 0.936 470 S CB -0.076 62.997 63.200 -0.211 0.000 0.766 470 S HN 0.128 nan 8.310 nan 0.000 0.528 471 S N 2.130 117.736 115.700 -0.157 0.000 2.419 471 S HA -0.060 4.410 4.470 -0.001 0.000 0.233 471 S C 1.226 175.802 174.600 -0.040 0.000 1.016 471 S CA 0.984 59.144 58.200 -0.067 0.000 0.974 471 S CB -0.391 62.779 63.200 -0.050 0.000 0.786 471 S HN 0.574 nan 8.310 nan 0.000 0.492 472 D N 1.178 121.541 120.400 -0.063 0.000 2.363 472 D HA 0.084 4.723 4.640 -0.001 0.000 0.226 472 D C 1.474 177.760 176.300 -0.023 0.000 1.020 472 D CA 0.107 54.088 54.000 -0.032 0.000 0.892 472 D CB -0.034 40.744 40.800 -0.037 0.000 0.900 472 D HN 0.354 nan 8.370 nan 0.000 0.531 473 L N 0.835 122.045 121.223 -0.021 0.000 2.081 473 L HA -0.200 4.140 4.340 -0.001 0.000 0.212 473 L C 2.553 179.444 176.870 0.035 0.000 1.080 473 L CA 1.158 56.020 54.840 0.036 0.000 0.754 473 L CB -0.254 41.853 42.059 0.081 0.000 0.893 473 L HN 0.009 nan 8.230 nan 0.000 0.433 474 E N -0.172 120.043 120.200 0.026 0.000 2.106 474 E HA -0.175 4.175 4.350 -0.001 0.000 0.192 474 E C 1.969 178.586 176.600 0.028 0.000 0.984 474 E CA 1.764 58.180 56.400 0.028 0.000 0.806 474 E CB 0.039 29.754 29.700 0.025 0.000 0.750 474 E HN 0.459 nan 8.360 nan 0.000 0.458 475 T N 1.533 116.101 114.554 0.024 0.000 2.746 475 T HA -0.088 4.261 4.350 -0.001 0.000 0.267 475 T C 2.099 176.815 174.700 0.027 0.000 1.039 475 T CA 1.253 63.368 62.100 0.026 0.000 1.142 475 T CB -0.169 68.713 68.868 0.024 0.000 0.866 475 T HN 0.171 nan 8.240 nan 0.000 0.444 476 I N 1.348 121.935 120.570 0.028 0.000 2.163 476 I HA -0.212 3.958 4.170 -0.001 0.000 0.243 476 I C 2.950 179.091 176.117 0.039 0.000 1.085 476 I CA 1.203 62.524 61.300 0.035 0.000 1.347 476 I CB -0.502 37.524 38.000 0.044 0.000 1.044 476 I HN 0.213 nan 8.210 nan 0.000 0.408 477 A N 0.818 123.662 122.820 0.040 0.000 1.877 477 A HA -0.268 4.051 4.320 -0.001 0.000 0.216 477 A C 2.416 180.020 177.584 0.032 0.000 1.186 477 A CA 2.023 54.083 52.037 0.039 0.000 0.620 477 A CB -0.702 18.320 19.000 0.038 0.000 0.822 477 A HN 0.380 nan 8.150 nan 0.000 0.443 478 R N -0.243 120.274 120.500 0.028 0.000 2.081 478 R HA -0.045 4.295 4.340 -0.001 0.000 0.235 478 R C 1.598 177.910 176.300 0.020 0.000 1.131 478 R CA 1.698 57.812 56.100 0.023 0.000 0.960 478 R CB -0.403 29.911 30.300 0.023 0.000 0.856 478 R HN 0.497 nan 8.270 nan 0.000 0.436 479 L N 0.741 121.977 121.223 0.021 0.000 2.554 479 L HA 0.057 4.396 4.340 -0.001 0.000 0.226 479 L C 0.382 177.266 176.870 0.022 0.000 1.137 479 L CA 0.034 54.885 54.840 0.018 0.000 0.863 479 L CB -0.528 41.543 42.059 0.020 0.000 0.985 479 L HN 0.342 nan 8.230 nan 0.000 0.451 480 N N 1.267 119.984 118.700 0.028 0.000 2.688 480 N HA -0.217 4.522 4.740 -0.001 0.000 0.258 480 N C -0.630 174.902 175.510 0.036 0.000 1.016 480 N CA 0.411 53.480 53.050 0.033 0.000 0.747 480 N CB -1.060 37.443 38.487 0.028 0.000 0.895 480 N HN 0.282 nan 8.380 nan 0.000 0.543 481 L N 0.951 122.198 121.223 0.041 0.000 2.278 481 L HA 0.344 4.683 4.340 -0.001 0.000 0.287 481 L C -1.305 175.600 176.870 0.059 0.000 1.072 481 L CA -1.711 53.156 54.840 0.046 0.000 0.819 481 L CB 1.007 43.091 42.059 0.042 0.000 1.176 481 L HN 0.120 nan 8.230 nan 0.000 0.435 482 P HA 0.090 nan 4.420 nan 0.000 0.246 482 P C 0.069 177.432 177.300 0.105 0.000 1.686 482 P CA 0.013 63.160 63.100 0.078 0.000 0.867 482 P CB -0.371 31.369 31.700 0.067 0.000 1.733 483 I N 0.076 120.707 120.570 0.100 0.000 2.618 483 I HA 0.006 4.176 4.170 -0.001 0.000 0.284 483 I C 0.662 176.845 176.117 0.110 0.000 1.146 483 I CA -0.190 61.180 61.300 0.117 0.000 1.425 483 I CB 0.814 38.867 38.000 0.089 0.000 1.383 483 I HN -0.166 nan 8.210 nan 0.000 0.562 484 V N 5.759 125.737 119.914 0.107 0.000 2.383 484 V HA 0.276 4.396 4.120 -0.001 0.000 0.275 484 V C 0.221 176.268 176.094 -0.078 0.000 1.036 484 V CA -0.404 61.881 62.300 -0.025 0.000 0.889 484 V CB 1.153 32.803 31.823 -0.289 0.000 0.985 484 V HN 0.730 nan 8.190 nan 0.000 0.459 485 T N 4.681 119.175 114.554 -0.101 0.000 2.797 485 T HA 0.543 4.893 4.350 -0.001 0.000 0.279 485 T C -0.300 174.246 174.700 -0.257 0.000 0.991 485 T CA -0.360 61.653 62.100 -0.146 0.000 0.979 485 T CB 1.631 70.420 68.868 -0.130 0.000 0.943 485 T HN 0.341 nan 8.240 nan 0.000 0.444 486 V N 4.229 123.989 119.914 -0.257 0.000 2.384 486 V HA 0.367 4.487 4.120 -0.001 0.000 0.287 486 V C -0.104 175.732 176.094 -0.430 0.000 1.020 486 V CA -0.758 61.360 62.300 -0.303 0.000 0.850 486 V CB 1.599 33.297 31.823 -0.209 0.000 0.987 486 V HN 0.707 nan 8.190 nan 0.000 0.436 487 V N 6.183 125.765 119.914 -0.554 0.000 2.333 487 V HA 0.292 4.412 4.120 -0.001 0.000 0.274 487 V C 0.119 175.895 176.094 -0.530 0.000 1.028 487 V CA -0.618 61.246 62.300 -0.726 0.000 0.851 487 V CB 1.656 32.806 31.823 -1.121 0.000 1.000 487 V HN 0.727 nan 8.190 nan 0.000 0.456 488 V N 2.409 122.025 119.914 -0.496 0.000 2.368 488 V HA 0.554 4.674 4.120 -0.001 0.000 0.266 488 V C -0.036 175.884 176.094 -0.290 0.000 1.045 488 V CA -0.405 61.682 62.300 -0.355 0.000 0.899 488 V CB 1.012 32.650 31.823 -0.309 0.000 1.006 488 V HN 0.750 nan 8.190 nan 0.000 0.470 489 N N 4.813 123.385 118.700 -0.213 0.000 2.408 489 N HA 0.424 5.164 4.740 -0.001 0.000 0.280 489 N C 0.140 175.617 175.510 -0.054 0.000 1.002 489 N CA -0.461 52.532 53.050 -0.095 0.000 0.907 489 N CB 1.606 40.089 38.487 -0.007 0.000 1.161 489 N HN 0.894 nan 8.380 nan 0.000 0.488 490 N N 1.895 120.607 118.700 0.021 0.000 2.240 490 N HA 0.090 4.830 4.740 -0.001 0.000 0.240 490 N C -1.027 174.554 175.510 0.118 0.000 1.277 490 N CA -0.218 52.844 53.050 0.020 0.000 0.873 490 N CB 0.039 38.481 38.487 -0.074 0.000 1.222 490 N HN 0.373 nan 8.380 nan 0.000 0.507 491 D N -0.076 120.446 120.400 0.203 0.000 2.811 491 D HA -0.136 4.503 4.640 -0.001 0.000 0.231 491 D C -0.934 175.575 176.300 0.348 0.000 1.157 491 D CA 1.361 55.543 54.000 0.303 0.000 0.716 491 D CB -1.743 39.165 40.800 0.180 0.000 1.077 491 D HN 0.491 nan 8.370 nan 0.000 0.428 492 T N -0.215 114.566 114.554 0.378 0.000 2.932 492 T HA 0.265 4.615 4.350 -0.001 0.000 0.318 492 T C -0.131 174.753 174.700 0.306 0.000 1.265 492 T CA -0.874 61.313 62.100 0.144 0.000 1.036 492 T CB 1.427 70.362 68.868 0.113 0.000 1.209 492 T HN -0.173 nan 8.240 nan 0.000 0.484 493 N N 1.843 120.611 118.700 0.113 0.000 2.671 493 N HA 0.204 4.943 4.740 -0.001 0.000 0.274 493 N C 1.414 177.050 175.510 0.210 0.000 1.188 493 N CA -0.003 53.210 53.050 0.271 0.000 1.065 493 N CB 0.777 39.388 38.487 0.206 0.000 1.415 493 N HN 0.883 nan 8.380 nan 0.000 0.511 494 G N 1.302 110.278 108.800 0.293 0.000 2.421 494 G HA2 -0.229 3.731 3.960 -0.001 0.000 0.216 494 G HA3 -0.229 3.731 3.960 -0.001 0.000 0.216 494 G C 1.463 176.420 174.900 0.094 0.000 1.171 494 G CA 0.259 45.514 45.100 0.258 0.000 0.775 494 G HN 0.469 nan 8.290 nan 0.000 0.543 495 L N 0.918 122.216 121.223 0.124 0.000 2.081 495 L HA -0.079 4.261 4.340 -0.001 0.000 0.212 495 L C 2.505 179.473 176.870 0.163 0.000 1.080 495 L CA 1.363 56.244 54.840 0.068 0.000 0.754 495 L CB -0.296 41.888 42.059 0.208 0.000 0.893 495 L HN 0.130 nan 8.230 nan 0.000 0.433 496 I N -0.583 120.107 120.570 0.200 0.000 2.315 496 I HA -0.225 3.945 4.170 -0.001 0.000 0.248 496 I C 2.479 178.685 176.117 0.148 0.000 1.117 496 I CA 1.203 62.627 61.300 0.208 0.000 1.404 496 I CB -1.423 36.653 38.000 0.127 0.000 1.071 496 I HN 0.489 nan 8.210 nan 0.000 0.419 497 E N 0.988 121.238 120.200 0.083 0.000 2.110 497 E HA -0.243 4.107 4.350 -0.001 0.000 0.193 497 E C 2.272 178.884 176.600 0.020 0.000 0.988 497 E CA 0.854 57.284 56.400 0.050 0.000 0.804 497 E CB 0.010 29.733 29.700 0.038 0.000 0.745 497 E HN 0.278 nan 8.360 nan 0.000 0.458 498 L N 0.300 121.484 121.223 -0.064 0.000 2.012 498 L HA -0.203 4.137 4.340 -0.001 0.000 0.210 498 L C 1.927 178.724 176.870 -0.122 0.000 1.073 498 L CA 1.831 56.560 54.840 -0.185 0.000 0.748 498 L CB -0.857 40.934 42.059 -0.446 0.000 0.891 498 L HN 0.199 nan 8.230 nan 0.000 0.431 499 Y N 0.147 120.441 120.300 -0.011 0.000 2.207 499 Y HA -0.262 4.287 4.550 -0.001 0.000 0.287 499 Y C 2.736 178.668 175.900 0.053 0.000 1.156 499 Y CA 1.873 59.984 58.100 0.018 0.000 1.182 499 Y CB -0.530 37.946 38.460 0.027 0.000 0.979 499 Y HN 0.382 nan 8.280 nan 0.000 0.521 500 Q N -0.214 119.718 119.800 0.220 0.000 2.061 500 Q HA -0.218 4.121 4.340 -0.001 0.000 0.204 500 Q C 1.951 178.076 176.000 0.208 0.000 0.984 500 Q CA 1.499 57.437 55.803 0.224 0.000 0.846 500 Q CB -0.275 28.539 28.738 0.126 0.000 0.902 500 Q HN 0.557 nan 8.270 nan 0.000 0.421 501 N N 0.479 119.251 118.700 0.121 0.000 2.188 501 N HA -0.085 4.654 4.740 -0.001 0.000 0.184 501 N C 1.911 177.487 175.510 0.110 0.000 1.018 501 N CA 0.910 54.028 53.050 0.113 0.000 0.858 501 N CB -0.048 38.482 38.487 0.071 0.000 0.989 501 N HN 0.255 nan 8.380 nan 0.000 0.426 502 I N 0.695 121.294 120.570 0.049 0.000 2.163 502 I HA -0.182 3.987 4.170 -0.001 0.000 0.243 502 I C 2.399 178.481 176.117 -0.058 0.000 1.085 502 I CA 1.445 62.755 61.300 0.016 0.000 1.347 502 I CB -0.442 37.536 38.000 -0.037 0.000 1.044 502 I HN 0.145 nan 8.210 nan 0.000 0.408 503 G N -1.340 107.409 108.800 -0.085 0.000 2.603 503 G HA2 -0.066 3.893 3.960 -0.001 0.000 0.214 503 G HA3 -0.066 3.893 3.960 -0.001 0.000 0.214 503 G C 1.321 175.852 174.900 -0.615 0.000 1.140 503 G CA 0.227 45.130 45.100 -0.329 0.000 0.800 503 G HN 0.437 nan 8.290 nan 0.000 0.533 504 H N -1.476 117.483 119.070 -0.186 0.000 3.440 504 H HA 0.145 4.701 4.556 -0.001 0.000 0.259 504 H C 0.313 175.551 175.328 -0.149 0.000 1.120 504 H CA 0.171 56.111 56.048 -0.180 0.000 1.191 504 H CB 0.652 30.374 29.762 -0.067 0.000 1.537 504 H HN 0.588 nan 8.280 nan 0.000 0.547 505 H N 0.895 120.025 119.070 0.100 0.000 2.899 505 H HA -0.165 4.391 4.556 -0.001 0.000 0.282 505 H C 0.097 175.464 175.328 0.066 0.000 1.198 505 H CA 0.740 56.824 56.048 0.061 0.000 1.140 505 H CB -0.890 28.893 29.762 0.037 0.000 1.317 505 H HN 0.493 nan 8.280 nan 0.000 0.375 506 R N -1.483 119.123 120.500 0.176 0.000 2.728 506 R HA 0.642 4.982 4.340 -0.001 0.000 0.274 506 R C -1.324 175.033 176.300 0.094 0.000 1.032 506 R CA -0.844 55.325 56.100 0.116 0.000 0.866 506 R CB 1.165 31.522 30.300 0.094 0.000 1.263 506 R HN -0.016 nan 8.270 nan 0.000 0.475 507 S N -0.049 115.695 115.700 0.074 0.000 2.672 507 S HA 0.328 4.798 4.470 -0.001 0.000 0.276 507 S C -0.900 173.759 174.600 0.098 0.000 1.207 507 S CA -0.466 57.774 58.200 0.066 0.000 1.002 507 S CB 0.613 63.838 63.200 0.041 0.000 0.998 507 S HN 0.652 nan 8.310 nan 0.000 0.542 508 H N 0.344 119.389 119.070 -0.042 0.000 3.177 508 H HA 0.339 4.894 4.556 -0.000 0.000 0.314 508 H C -0.324 174.975 175.328 -0.049 0.000 1.059 508 H CA -0.571 55.445 56.048 -0.054 0.000 1.515 508 H CB 0.259 29.969 29.762 -0.087 0.000 1.672 508 H HN 0.433 nan 8.280 nan 0.000 0.514 509 D N 4.702 124.917 120.400 -0.307 0.000 2.123 509 D HA -0.112 4.528 4.640 -0.001 0.000 0.196 509 D C -0.779 175.334 176.300 -0.312 0.000 0.992 509 D CA 0.976 54.825 54.000 -0.252 0.000 0.833 509 D CB -0.857 39.840 40.800 -0.171 0.000 0.954 509 D HN 0.537 nan 8.370 nan 0.000 0.455 510 P HA -0.087 nan 4.420 nan 0.000 0.220 510 P C 0.786 177.984 177.300 -0.169 0.000 1.144 510 P CA 1.539 64.465 63.100 -0.289 0.000 0.800 510 P CB 0.011 31.531 31.700 -0.301 0.000 0.772 511 A N -1.343 121.384 122.820 -0.156 0.000 2.195 511 A HA 0.116 4.436 4.320 -0.001 0.000 0.210 511 A C 1.739 179.269 177.584 -0.089 0.000 1.165 511 A CA 1.200 53.212 52.037 -0.043 0.000 0.806 511 A CB -0.521 18.515 19.000 0.060 0.000 0.847 511 A HN 0.203 nan 8.150 nan 0.000 0.482 512 V N -5.875 113.935 119.914 -0.174 0.000 3.332 512 V HA 0.335 4.455 4.120 -0.001 0.000 0.263 512 V C -0.083 175.709 176.094 -0.503 0.000 1.562 512 V CA -0.331 61.819 62.300 -0.249 0.000 1.040 512 V CB -0.154 31.602 31.823 -0.112 0.000 0.857 512 V HN 0.032 nan 8.190 nan 0.000 0.428 513 K N 1.854 122.019 120.400 -0.392 0.000 2.234 513 K HA 0.603 4.923 4.320 -0.001 0.000 0.282 513 K C -1.066 175.317 176.600 -0.362 0.000 1.039 513 K CA -0.211 55.868 56.287 -0.346 0.000 0.928 513 K CB 1.238 33.647 32.500 -0.152 0.000 1.039 513 K HN 0.339 nan 8.250 nan 0.000 0.470 514 F N -0.439 119.547 119.950 0.060 0.000 2.497 514 F HA 0.487 5.014 4.527 -0.001 0.000 0.331 514 F C 1.486 177.305 175.800 0.032 0.000 1.060 514 F CA -0.792 57.243 58.000 0.058 0.000 0.989 514 F CB 0.613 39.667 39.000 0.091 0.000 1.245 514 F HN 0.540 nan 8.300 nan 0.000 0.486 515 G N -0.592 108.352 108.800 0.240 0.000 2.563 515 G HA2 0.462 4.422 3.960 -0.001 0.000 0.283 515 G HA3 0.462 4.422 3.960 -0.001 0.000 0.283 515 G C -0.179 174.770 174.900 0.080 0.000 1.309 515 G CA -0.563 44.605 45.100 0.113 0.000 1.022 515 G HN 0.889 nan 8.290 nan 0.000 0.501 516 G N -1.620 107.185 108.800 0.009 0.000 2.380 516 G HA2 0.451 4.410 3.960 -0.001 0.000 0.262 516 G HA3 0.451 4.410 3.960 -0.001 0.000 0.262 516 G C -0.683 174.117 174.900 -0.166 0.000 1.243 516 G CA -0.113 44.957 45.100 -0.051 0.000 0.865 516 G HN 0.574 nan 8.290 nan 0.000 0.513 517 V N 2.844 122.565 119.914 -0.321 0.000 2.540 517 V HA 0.231 4.351 4.120 -0.001 0.000 0.302 517 V C -0.622 175.055 176.094 -0.695 0.000 1.035 517 V CA -0.912 60.995 62.300 -0.656 0.000 0.873 517 V CB 1.950 33.035 31.823 -1.231 0.000 0.992 517 V HN 0.760 nan 8.190 nan 0.000 0.428 518 D N 3.362 123.459 120.400 -0.506 0.000 2.441 518 D HA 0.254 4.893 4.640 -0.001 0.000 0.221 518 D C 0.558 176.640 176.300 -0.363 0.000 1.156 518 D CA -0.201 53.603 54.000 -0.327 0.000 0.896 518 D CB 0.617 41.304 40.800 -0.187 0.000 1.028 518 D HN 0.370 nan 8.370 nan 0.000 0.509 519 F N 2.096 121.952 119.950 -0.157 0.000 2.407 519 F HA -0.113 4.413 4.527 -0.000 0.000 0.299 519 F C 2.295 178.006 175.800 -0.148 0.000 1.097 519 F CA 0.184 58.089 58.000 -0.158 0.000 1.422 519 F CB -0.137 38.728 39.000 -0.224 0.000 1.067 519 F HN 0.277 nan 8.300 nan 0.000 0.539 520 V N -0.060 119.847 119.914 -0.011 0.000 2.270 520 V HA -0.281 3.839 4.120 -0.001 0.000 0.245 520 V C 2.609 178.668 176.094 -0.060 0.000 1.043 520 V CA 1.842 64.100 62.300 -0.069 0.000 1.014 520 V CB -1.322 30.451 31.823 -0.083 0.000 0.645 520 V HN 0.332 nan 8.190 nan 0.000 0.447 521 A N -0.378 122.402 122.820 -0.067 0.000 1.902 521 A HA -0.197 4.122 4.320 -0.001 0.000 0.217 521 A C 2.187 179.743 177.584 -0.046 0.000 1.181 521 A CA 2.050 54.051 52.037 -0.059 0.000 0.623 521 A CB -0.603 18.352 19.000 -0.075 0.000 0.818 521 A HN 0.443 nan 8.150 nan 0.000 0.443 522 L N -0.268 120.920 121.223 -0.057 0.000 1.989 522 L HA -0.158 4.182 4.340 -0.001 0.000 0.211 522 L C 2.819 179.717 176.870 0.047 0.000 1.071 522 L CA 2.216 57.051 54.840 -0.008 0.000 0.749 522 L CB -0.565 41.490 42.059 -0.007 0.000 0.890 522 L HN 0.365 nan 8.230 nan 0.000 0.431 523 A N -1.074 121.780 122.820 0.056 0.000 1.902 523 A HA -0.256 4.063 4.320 -0.001 0.000 0.217 523 A C 2.194 179.788 177.584 0.017 0.000 1.181 523 A CA 1.957 54.023 52.037 0.048 0.000 0.623 523 A CB -0.678 18.318 19.000 -0.007 0.000 0.818 523 A HN 0.595 nan 8.150 nan 0.000 0.443 524 E N -0.447 119.749 120.200 -0.005 0.000 2.106 524 E HA -0.071 4.279 4.350 -0.001 0.000 0.192 524 E C 2.233 178.838 176.600 0.007 0.000 0.984 524 E CA 0.788 57.187 56.400 -0.002 0.000 0.806 524 E CB -0.262 29.431 29.700 -0.011 0.000 0.750 524 E HN 0.625 nan 8.360 nan 0.000 0.458 525 A N 1.427 124.250 122.820 0.006 0.000 2.024 525 A HA -0.178 4.142 4.320 -0.001 0.000 0.220 525 A C 1.733 179.328 177.584 0.018 0.000 1.164 525 A CA 1.209 53.251 52.037 0.009 0.000 0.643 525 A CB -0.279 18.724 19.000 0.005 0.000 0.806 525 A HN 0.174 nan 8.150 nan 0.000 0.451 526 N N -1.004 117.712 118.700 0.027 0.000 2.336 526 N HA 0.117 4.856 4.740 -0.001 0.000 0.189 526 N C 0.954 176.482 175.510 0.031 0.000 1.113 526 N CA 0.863 53.931 53.050 0.032 0.000 0.858 526 N CB 0.364 38.878 38.487 0.044 0.000 0.970 526 N HN 0.622 nan 8.380 nan 0.000 0.471 527 G N 0.675 109.492 108.800 0.028 0.000 2.149 527 G HA2 -0.227 3.733 3.960 -0.001 0.000 0.235 527 G HA3 -0.227 3.733 3.960 -0.001 0.000 0.235 527 G C -0.296 174.628 174.900 0.039 0.000 1.018 527 G CA -0.140 44.978 45.100 0.030 0.000 0.728 527 G HN 0.150 nan 8.290 nan 0.000 0.508 528 V N 1.230 121.166 119.914 0.036 0.000 2.378 528 V HA 0.389 4.509 4.120 -0.001 0.000 0.288 528 V C -0.028 176.079 176.094 0.023 0.000 1.016 528 V CA -1.238 61.087 62.300 0.041 0.000 0.840 528 V CB 1.638 33.483 31.823 0.037 0.000 0.994 528 V HN 0.266 nan 8.190 nan 0.000 0.431 529 D N 3.720 124.168 120.400 0.081 0.000 2.443 529 D HA 0.537 5.176 4.640 -0.001 0.000 0.239 529 D C 0.214 176.418 176.300 -0.159 0.000 1.136 529 D CA 0.625 54.688 54.000 0.106 0.000 0.879 529 D CB 1.570 42.562 40.800 0.318 0.000 1.195 529 D HN 0.824 nan 8.370 nan 0.000 0.443 530 A N 1.091 123.752 122.820 -0.265 0.000 2.602 530 A HA 0.754 5.074 4.320 -0.001 0.000 0.290 530 A C -0.542 176.821 177.584 -0.367 0.000 1.114 530 A CA -0.579 51.106 52.037 -0.587 0.000 0.683 530 A CB 2.387 21.188 19.000 -0.332 0.000 1.281 530 A HN 0.431 nan 8.150 nan 0.000 0.416 531 T N -0.629 113.694 114.554 -0.385 0.000 2.802 531 T HA 0.561 4.911 4.350 -0.001 0.000 0.311 531 T C -1.379 173.237 174.700 -0.139 0.000 1.405 531 T CA -0.544 61.472 62.100 -0.140 0.000 1.016 531 T CB 1.362 70.252 68.868 0.038 0.000 1.352 531 T HN 0.868 nan 8.240 nan 0.000 0.498 532 R N 1.441 121.895 120.500 -0.078 0.000 2.407 532 R HA 0.806 5.146 4.340 -0.001 0.000 0.303 532 R C -1.141 175.127 176.300 -0.054 0.000 0.981 532 R CA -0.507 55.548 56.100 -0.075 0.000 0.905 532 R CB 1.133 31.398 30.300 -0.058 0.000 1.099 532 R HN 0.692 nan 8.270 nan 0.000 0.459 533 A N 2.106 124.887 122.820 -0.065 0.000 2.374 533 A HA 0.369 4.688 4.320 -0.001 0.000 0.305 533 A C 0.141 177.690 177.584 -0.058 0.000 1.053 533 A CA -0.609 51.397 52.037 -0.050 0.000 0.726 533 A CB 1.624 20.595 19.000 -0.048 0.000 1.229 533 A HN 0.867 nan 8.150 nan 0.000 0.431 534 T N -1.617 112.911 114.554 -0.043 0.000 3.043 534 T HA 0.307 4.657 4.350 -0.001 0.000 0.272 534 T C 0.146 174.827 174.700 -0.032 0.000 0.990 534 T CA 0.368 62.443 62.100 -0.042 0.000 0.897 534 T CB -0.661 68.187 68.868 -0.033 0.000 1.111 534 T HN 0.933 nan 8.240 nan 0.000 0.529 535 N N -0.339 118.343 118.700 -0.029 0.000 2.934 535 N HA 0.411 5.151 4.740 -0.001 0.000 0.253 535 N C 0.353 175.850 175.510 -0.022 0.000 1.466 535 N CA -1.157 51.881 53.050 -0.021 0.000 0.858 535 N CB 0.947 39.425 38.487 -0.015 0.000 1.459 535 N HN -0.186 nan 8.380 nan 0.000 0.532 536 R N -0.248 120.242 120.500 -0.017 0.000 2.117 536 R HA -0.166 4.173 4.340 -0.001 0.000 0.243 536 R C 1.371 177.666 176.300 -0.009 0.000 1.143 536 R CA 1.894 57.986 56.100 -0.013 0.000 0.968 536 R CB -0.191 30.105 30.300 -0.007 0.000 0.863 536 R HN 0.774 nan 8.270 nan 0.000 0.444 537 E N 0.927 121.122 120.200 -0.010 0.000 2.028 537 E HA -0.203 4.147 4.350 -0.001 0.000 0.191 537 E C 1.665 178.261 176.600 -0.007 0.000 0.988 537 E CA 1.224 57.620 56.400 -0.007 0.000 0.799 537 E CB 0.152 29.847 29.700 -0.009 0.000 0.755 537 E HN 0.364 nan 8.360 nan 0.000 0.447 538 E N 0.298 120.492 120.200 -0.010 0.000 2.077 538 E HA -0.206 4.143 4.350 -0.001 0.000 0.193 538 E C 2.156 178.752 176.600 -0.007 0.000 0.989 538 E CA 0.852 57.247 56.400 -0.008 0.000 0.800 538 E CB -0.086 29.606 29.700 -0.013 0.000 0.746 538 E HN 0.190 nan 8.360 nan 0.000 0.452 539 L N 1.018 122.232 121.223 -0.016 0.000 2.017 539 L HA -0.161 4.178 4.340 -0.001 0.000 0.208 539 L C 2.056 178.921 176.870 -0.009 0.000 1.073 539 L CA 1.554 56.381 54.840 -0.022 0.000 0.745 539 L CB -0.454 41.584 42.059 -0.035 0.000 0.894 539 L HN 0.120 nan 8.230 nan 0.000 0.432 540 L N -0.683 120.540 121.223 -0.001 0.000 2.042 540 L HA -0.221 4.118 4.340 -0.001 0.000 0.210 540 L C 2.671 179.544 176.870 0.005 0.000 1.076 540 L CA 1.289 56.136 54.840 0.010 0.000 0.749 540 L CB -0.984 41.083 42.059 0.015 0.000 0.893 540 L HN 0.389 nan 8.230 nan 0.000 0.432 541 A N 0.062 122.883 122.820 0.001 0.000 1.883 541 A HA -0.222 4.097 4.320 -0.001 0.000 0.217 541 A C 2.538 180.118 177.584 -0.006 0.000 1.186 541 A CA 1.979 54.013 52.037 -0.004 0.000 0.624 541 A CB -0.837 18.162 19.000 -0.002 0.000 0.822 541 A HN 0.414 nan 8.150 nan 0.000 0.444 542 A N -0.466 122.368 122.820 0.024 0.000 1.902 542 A HA -0.034 4.286 4.320 -0.001 0.000 0.217 542 A C 2.201 179.819 177.584 0.056 0.000 1.181 542 A CA 1.533 53.629 52.037 0.099 0.000 0.623 542 A CB -0.621 18.459 19.000 0.134 0.000 0.818 542 A HN 0.475 nan 8.150 nan 0.000 0.443 543 L N -1.059 120.156 121.223 -0.013 0.000 2.017 543 L HA -0.197 4.142 4.340 -0.001 0.000 0.208 543 L C 2.896 179.725 176.870 -0.068 0.000 1.073 543 L CA 1.566 56.347 54.840 -0.097 0.000 0.745 543 L CB -0.462 41.543 42.059 -0.090 0.000 0.894 543 L HN 0.346 nan 8.230 nan 0.000 0.432 544 R N -0.074 120.410 120.500 -0.026 0.000 2.081 544 R HA -0.192 4.148 4.340 -0.001 0.000 0.235 544 R C 2.313 178.564 176.300 -0.081 0.000 1.131 544 R CA 1.349 57.440 56.100 -0.015 0.000 0.960 544 R CB -0.291 30.007 30.300 -0.004 0.000 0.856 544 R HN 0.299 nan 8.270 nan 0.000 0.436 545 K N 0.413 120.721 120.400 -0.153 0.000 1.991 545 K HA -0.141 4.178 4.320 -0.001 0.000 0.212 545 K C 2.161 178.501 176.600 -0.433 0.000 1.049 545 K CA 1.797 57.909 56.287 -0.291 0.000 0.932 545 K CB -0.442 31.834 32.500 -0.373 0.000 0.717 545 K HN 0.231 nan 8.250 nan 0.000 0.441 546 G N 0.452 108.930 108.800 -0.537 0.000 2.476 546 G HA2 -0.317 3.643 3.960 -0.001 0.000 0.218 546 G HA3 -0.317 3.643 3.960 -0.001 0.000 0.218 546 G C 1.595 176.413 174.900 -0.138 0.000 1.164 546 G CA 1.197 46.053 45.100 -0.407 0.000 0.768 546 G HN 0.494 nan 8.290 nan 0.000 0.560 547 A N 0.411 123.201 122.820 -0.051 0.000 2.019 547 A HA 0.027 4.347 4.320 -0.001 0.000 0.219 547 A C 2.078 179.686 177.584 0.040 0.000 1.164 547 A CA 1.802 53.895 52.037 0.093 0.000 0.644 547 A CB -0.212 18.914 19.000 0.210 0.000 0.805 547 A HN 0.498 nan 8.150 nan 0.000 0.449 548 E N -1.189 118.993 120.200 -0.030 0.000 2.481 548 E HA 0.121 4.471 4.350 -0.001 0.000 0.198 548 E C 1.323 177.890 176.600 -0.056 0.000 1.027 548 E CA -0.283 56.098 56.400 -0.032 0.000 0.900 548 E CB 0.124 29.801 29.700 -0.038 0.000 0.993 548 E HN 0.428 nan 8.360 nan 0.000 0.482 549 L N 0.484 121.651 121.223 -0.094 0.000 2.201 549 L HA -0.001 4.339 4.340 -0.001 0.000 0.212 549 L C 1.535 178.383 176.870 -0.037 0.000 1.105 549 L CA 1.964 56.742 54.840 -0.102 0.000 0.775 549 L CB -0.407 41.548 42.059 -0.173 0.000 0.913 549 L HN 0.294 nan 8.230 nan 0.000 0.440 550 G N -0.492 108.303 108.800 -0.009 0.000 2.155 550 G HA2 -0.314 3.646 3.960 -0.001 0.000 0.257 550 G HA3 -0.314 3.646 3.960 -0.001 0.000 0.257 550 G C 0.557 175.471 174.900 0.023 0.000 0.983 550 G CA 0.614 45.721 45.100 0.011 0.000 0.676 550 G HN 0.452 nan 8.290 nan 0.000 0.528 551 R N -0.345 120.175 120.500 0.032 0.000 2.764 551 R HA 0.476 4.816 4.340 -0.001 0.000 0.270 551 R C -2.734 173.619 176.300 0.088 0.000 1.014 551 R CA -1.925 54.207 56.100 0.055 0.000 0.904 551 R CB 2.221 32.555 30.300 0.057 0.000 1.236 551 R HN 0.032 nan 8.270 nan 0.000 0.466 552 P HA 0.073 nan 4.420 nan 0.000 0.269 552 P C -1.090 176.339 177.300 0.215 0.000 1.215 552 P CA 0.282 63.458 63.100 0.125 0.000 0.780 552 P CB 0.519 32.273 31.700 0.090 0.000 0.898 553 F N 1.915 121.853 119.950 -0.020 0.000 2.608 553 F HA 0.580 5.106 4.527 -0.001 0.000 0.309 553 F C -1.591 174.167 175.800 -0.070 0.000 1.103 553 F CA -1.086 56.887 58.000 -0.044 0.000 0.954 553 F CB 1.634 40.596 39.000 -0.063 0.000 1.267 553 F HN 0.161 nan 8.300 nan 0.000 0.444 554 L N 6.292 127.107 121.223 -0.680 0.000 2.386 554 L HA 0.750 5.089 4.340 -0.001 0.000 0.271 554 L C -1.647 174.816 176.870 -0.679 0.000 0.993 554 L CA -0.499 54.028 54.840 -0.521 0.000 0.819 554 L CB 1.746 43.613 42.059 -0.320 0.000 1.294 554 L HN 0.576 nan 8.230 nan 0.000 0.414 555 I N 3.991 124.292 120.570 -0.449 0.000 2.439 555 I HA 0.368 4.537 4.170 -0.001 0.000 0.285 555 I C -0.532 175.404 176.117 -0.301 0.000 1.021 555 I CA -0.430 60.666 61.300 -0.340 0.000 1.091 555 I CB 1.865 39.735 38.000 -0.217 0.000 1.242 555 I HN 0.589 nan 8.210 nan 0.000 0.439 556 E N 6.161 126.216 120.200 -0.241 0.000 2.227 556 E HA 0.525 4.875 4.350 -0.001 0.000 0.282 556 E C -1.475 175.026 176.600 -0.166 0.000 1.015 556 E CA -0.547 55.728 56.400 -0.209 0.000 0.823 556 E CB 1.596 31.237 29.700 -0.099 0.000 1.081 556 E HN 0.387 nan 8.360 nan 0.000 0.396 557 V N 7.200 127.002 119.914 -0.187 0.000 2.443 557 V HA 0.335 4.455 4.120 -0.001 0.000 0.293 557 V C -2.264 173.741 176.094 -0.149 0.000 1.021 557 V CA -1.880 60.327 62.300 -0.154 0.000 0.848 557 V CB 1.488 33.212 31.823 -0.166 0.000 0.998 557 V HN 0.705 nan 8.190 nan 0.000 0.424 558 P HA 0.233 nan 4.420 nan 0.000 0.271 558 P C -0.565 176.642 177.300 -0.154 0.000 1.220 558 P CA 0.270 63.305 63.100 -0.109 0.000 0.768 558 P CB 1.465 33.120 31.700 -0.075 0.000 0.848 559 V N 0.634 120.426 119.914 -0.204 0.000 3.102 559 V HA 0.763 4.883 4.120 -0.001 0.000 0.312 559 V C -0.838 175.033 176.094 -0.371 0.000 1.135 559 V CA -0.993 61.125 62.300 -0.302 0.000 1.022 559 V CB 2.250 33.847 31.823 -0.375 0.000 1.056 559 V HN 0.452 nan 8.190 nan 0.000 0.436 560 N N -0.324 118.113 118.700 -0.438 0.000 2.329 560 N HA 0.646 5.385 4.740 -0.001 0.000 0.282 560 N C -2.070 173.182 175.510 -0.431 0.000 1.198 560 N CA -0.502 52.300 53.050 -0.413 0.000 0.790 560 N CB 2.023 40.389 38.487 -0.201 0.000 1.579 560 N HN 0.756 nan 8.380 nan 0.000 0.475 561 Y N 0.333 120.665 120.300 0.053 0.000 2.352 561 Y HA 0.490 5.040 4.550 -0.000 0.000 0.339 561 Y C -0.083 175.894 175.900 0.129 0.000 0.992 561 Y CA -0.657 57.534 58.100 0.152 0.000 1.100 561 Y CB 1.407 40.048 38.460 0.301 0.000 1.192 561 Y HN 0.415 nan 8.280 nan 0.000 0.458 562 D N 0.000 120.589 120.400 0.314 0.000 6.856 562 D HA 0.000 4.640 4.640 -0.001 0.000 0.175 562 D CA 0.000 54.129 54.000 0.215 0.000 0.868 562 D CB 0.000 40.875 40.800 0.125 0.000 0.688 562 D HN 0.000 nan 8.370 nan 0.000 0.683