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 2ihv_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 YDFQPGGFGA LSI VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 11 K HA 0.000 nan 4.320 nan 0.000 0.191 11 K C 0.000 176.550 176.600 -0.083 0.000 0.988 11 K CA 0.000 56.249 56.287 -0.064 0.000 0.838 11 K CB 0.000 32.472 32.500 -0.046 0.000 1.064 12 P HA -0.019 nan 4.420 nan 0.000 0.264 12 P C -0.251 177.004 177.300 -0.074 0.000 1.193 12 P CA 0.031 63.012 63.100 -0.199 0.000 0.763 12 P CB 0.501 31.944 31.700 -0.429 0.000 0.810 13 T N -1.223 113.326 114.554 -0.009 0.000 2.893 13 T HA 0.558 4.908 4.350 -0.001 0.000 0.279 13 T C 1.306 176.044 174.700 0.063 0.000 0.991 13 T CA -0.210 61.903 62.100 0.022 0.000 0.950 13 T CB 0.872 69.747 68.868 0.013 0.000 1.223 13 T HN 0.192 nan 8.240 nan 0.000 0.585 14 A N 0.070 122.923 122.820 0.055 0.000 2.024 14 A HA 0.185 4.505 4.320 -0.001 0.000 0.220 14 A C 2.555 180.178 177.584 0.065 0.000 1.164 14 A CA 1.884 53.960 52.037 0.064 0.000 0.643 14 A CB -1.603 17.427 19.000 0.049 0.000 0.806 14 A HN 1.197 nan 8.150 nan 0.000 0.451 15 A N -0.778 122.067 122.820 0.042 0.000 1.902 15 A HA -0.189 4.131 4.320 -0.001 0.000 0.217 15 A C 1.997 179.584 177.584 0.006 0.000 1.181 15 A CA 2.007 54.042 52.037 -0.004 0.000 0.623 15 A CB -0.885 18.063 19.000 -0.087 0.000 0.818 15 A HN 0.814 nan 8.150 nan 0.000 0.443 16 H N -0.431 118.612 119.070 -0.045 0.000 2.353 16 H HA 0.054 4.609 4.556 -0.001 0.000 0.300 16 H C 2.138 177.467 175.328 0.002 0.000 1.090 16 H CA 1.850 57.881 56.048 -0.029 0.000 1.327 16 H CB -0.139 29.609 29.762 -0.025 0.000 1.383 16 H HN 0.401 nan 8.280 nan 0.000 0.508 17 A N 0.616 123.549 122.820 0.188 0.000 1.969 17 A HA -0.095 4.225 4.320 -0.001 0.000 0.218 17 A C 2.326 179.947 177.584 0.062 0.000 1.169 17 A CA 1.377 53.496 52.037 0.136 0.000 0.635 17 A CB -0.771 18.309 19.000 0.133 0.000 0.810 17 A HN 0.507 nan 8.150 nan 0.000 0.445 18 L N -0.113 121.145 121.223 0.059 0.000 1.994 18 L HA -0.103 4.237 4.340 -0.001 0.000 0.208 18 L C 2.248 179.154 176.870 0.060 0.000 1.071 18 L CA 1.868 56.753 54.840 0.075 0.000 0.745 18 L CB -0.632 41.495 42.059 0.114 0.000 0.892 18 L HN 0.380 nan 8.230 nan 0.000 0.431 19 L N -0.912 120.317 121.223 0.009 0.000 2.131 19 L HA -0.178 4.162 4.340 -0.001 0.000 0.210 19 L C 2.729 179.572 176.870 -0.046 0.000 1.092 19 L CA 1.404 56.240 54.840 -0.007 0.000 0.759 19 L CB -0.805 41.218 42.059 -0.060 0.000 0.903 19 L HN 0.442 nan 8.230 nan 0.000 0.435 20 S N -0.146 115.484 115.700 -0.116 0.000 2.383 20 S HA -0.201 4.268 4.470 -0.001 0.000 0.227 20 S C 2.198 176.788 174.600 -0.017 0.000 1.026 20 S CA 1.189 59.323 58.200 -0.110 0.000 0.981 20 S CB -0.056 63.052 63.200 -0.152 0.000 0.818 20 S HN 0.247 nan 8.310 nan 0.000 0.472 21 R N 0.982 121.499 120.500 0.029 0.000 2.090 21 R HA 0.249 4.589 4.340 -0.001 0.000 0.228 21 R C 2.184 178.574 176.300 0.149 0.000 1.110 21 R CA 1.201 57.348 56.100 0.079 0.000 0.973 21 R CB -0.992 29.371 30.300 0.105 0.000 0.869 21 R HN 0.495 nan 8.270 nan 0.000 0.440 22 L N -0.139 121.161 121.223 0.128 0.000 2.012 22 L HA -0.165 4.175 4.340 -0.001 0.000 0.210 22 L C 2.522 179.458 176.870 0.110 0.000 1.073 22 L CA 1.773 56.698 54.840 0.141 0.000 0.748 22 L CB -0.434 41.696 42.059 0.118 0.000 0.891 22 L HN 0.122 nan 8.230 nan 0.000 0.431 23 R N 0.511 121.043 120.500 0.053 0.000 2.105 23 R HA -0.177 4.162 4.340 -0.001 0.000 0.239 23 R C 1.812 178.116 176.300 0.006 0.000 1.135 23 R CA 1.615 57.728 56.100 0.022 0.000 0.967 23 R CB -0.444 29.852 30.300 -0.007 0.000 0.861 23 R HN 0.299 nan 8.270 nan 0.000 0.442 24 D N -0.560 119.829 120.400 -0.019 0.000 2.182 24 D HA -0.161 4.479 4.640 -0.001 0.000 0.201 24 D C 0.978 177.170 176.300 -0.181 0.000 0.986 24 D CA 1.174 55.110 54.000 -0.105 0.000 0.847 24 D CB -0.227 40.477 40.800 -0.159 0.000 0.942 24 D HN 0.455 nan 8.370 nan 0.000 0.467 25 H N -0.815 118.260 119.070 0.008 0.000 2.555 25 H HA 0.256 4.811 4.556 -0.001 0.000 0.283 25 H C 1.445 176.780 175.328 0.012 0.000 1.037 25 H CA 0.734 56.787 56.048 0.009 0.000 1.169 25 H CB 0.402 30.169 29.762 0.008 0.000 1.375 25 H HN 0.210 nan 8.280 nan 0.000 0.582 26 G N 0.720 109.564 108.800 0.073 0.000 2.176 26 G HA2 -0.296 3.664 3.960 -0.001 0.000 0.253 26 G HA3 -0.296 3.664 3.960 -0.001 0.000 0.253 26 G C 0.385 175.316 174.900 0.053 0.000 0.979 26 G CA 0.286 45.417 45.100 0.052 0.000 0.641 26 G HN 0.236 nan 8.290 nan 0.000 0.530 27 V N 0.986 120.941 119.914 0.068 0.000 2.521 27 V HA 0.508 4.628 4.120 -0.001 0.000 0.286 27 V C 1.608 177.716 176.094 0.024 0.000 1.034 27 V CA 1.206 63.539 62.300 0.054 0.000 1.045 27 V CB 1.251 33.118 31.823 0.073 0.000 0.974 27 V HN 0.637 nan 8.190 nan 0.000 0.480 28 G N 4.525 113.326 108.800 0.002 0.000 2.944 28 G HA2 0.178 4.137 3.960 -0.001 0.000 0.220 28 G HA3 0.178 4.137 3.960 -0.001 0.000 0.220 28 G C 0.452 175.300 174.900 -0.087 0.000 1.100 28 G CA -0.113 44.970 45.100 -0.029 0.000 0.780 28 G HN 0.497 nan 8.290 nan 0.000 0.539 29 K N 0.602 120.924 120.400 -0.130 0.000 2.422 29 K HA 0.590 4.909 4.320 -0.001 0.000 0.251 29 K C -1.535 174.871 176.600 -0.324 0.000 0.933 29 K CA -0.609 55.479 56.287 -0.331 0.000 0.798 29 K CB 2.967 35.121 32.500 -0.577 0.000 1.238 29 K HN -0.121 nan 8.250 nan 0.000 0.428 30 V N 3.517 123.160 119.914 -0.452 0.000 2.378 30 V HA 0.427 4.547 4.120 -0.001 0.000 0.288 30 V C -0.696 174.894 176.094 -0.840 0.000 1.016 30 V CA -0.834 61.233 62.300 -0.389 0.000 0.840 30 V CB 0.553 32.271 31.823 -0.175 0.000 0.994 30 V HN 0.515 nan 8.190 nan 0.000 0.431 31 F N 3.085 122.774 119.950 -0.435 0.000 2.394 31 F HA 0.849 5.376 4.527 -0.001 0.000 0.340 31 F C 0.979 176.523 175.800 -0.426 0.000 1.105 31 F CA 0.333 58.038 58.000 -0.492 0.000 1.124 31 F CB 1.795 40.641 39.000 -0.257 0.000 1.145 31 F HN 0.721 nan 8.300 nan 0.000 0.505 32 G N 0.909 109.518 108.800 -0.318 0.000 2.325 32 G HA2 0.455 4.414 3.960 -0.001 0.000 0.295 32 G HA3 0.455 4.414 3.960 -0.001 0.000 0.295 32 G C -2.381 172.707 174.900 0.313 0.000 1.274 32 G CA -0.778 44.393 45.100 0.119 0.000 0.857 32 G HN 0.447 nan 8.290 nan 0.000 0.499 33 V N 0.430 120.594 119.914 0.417 0.000 2.483 33 V HA 0.570 4.690 4.120 -0.001 0.000 0.297 33 V C 0.089 176.417 176.094 0.391 0.000 1.027 33 V CA -0.701 61.800 62.300 0.336 0.000 0.855 33 V CB 1.360 33.289 31.823 0.177 0.000 0.995 33 V HN 0.727 nan 8.190 nan 0.000 0.424 34 V N 4.190 124.240 119.914 0.226 0.000 2.546 34 V HA 0.741 4.860 4.120 -0.001 0.000 0.284 34 V C 0.939 177.134 176.094 0.169 0.000 1.050 34 V CA 0.405 62.818 62.300 0.188 0.000 0.981 34 V CB 1.158 32.907 31.823 -0.125 0.000 0.990 34 V HN 0.960 nan 8.190 nan 0.000 0.474 35 G N 3.515 112.447 108.800 0.221 0.000 2.940 35 G HA2 0.308 4.268 3.960 -0.001 0.000 0.164 35 G HA3 0.308 4.268 3.960 -0.001 0.000 0.164 35 G C 0.788 175.761 174.900 0.122 0.000 1.326 35 G CA -0.241 44.945 45.100 0.144 0.000 1.020 35 G HN 0.738 nan 8.290 nan 0.000 0.586 36 R N 0.152 120.714 120.500 0.104 0.000 2.328 36 R HA 0.007 4.346 4.340 -0.001 0.000 0.207 36 R C 1.608 177.958 176.300 0.083 0.000 1.056 36 R CA 1.672 57.819 56.100 0.080 0.000 1.016 36 R CB -0.207 30.136 30.300 0.072 0.000 0.872 36 R HN 0.534 nan 8.270 nan 0.000 0.471 37 E N 1.560 121.836 120.200 0.127 0.000 2.409 37 E HA -0.127 4.223 4.350 -0.001 0.000 0.198 37 E C 1.553 178.203 176.600 0.083 0.000 1.024 37 E CA 1.058 57.541 56.400 0.140 0.000 0.861 37 E CB -0.069 29.786 29.700 0.259 0.000 0.788 37 E HN 0.465 nan 8.360 nan 0.000 0.521 38 A N 1.812 124.666 122.820 0.057 0.000 2.032 38 A HA -0.062 4.257 4.320 -0.001 0.000 0.221 38 A C 2.483 180.044 177.584 -0.038 0.000 1.165 38 A CA 1.925 53.950 52.037 -0.020 0.000 0.645 38 A CB -0.662 18.330 19.000 -0.013 0.000 0.807 38 A HN 0.435 nan 8.150 nan 0.000 0.453 39 A N -1.040 121.776 122.820 -0.006 0.000 2.019 39 A HA -0.005 4.315 4.320 -0.001 0.000 0.219 39 A C 2.266 179.836 177.584 -0.022 0.000 1.164 39 A CA 1.970 54.001 52.037 -0.010 0.000 0.644 39 A CB -0.394 18.612 19.000 0.009 0.000 0.805 39 A HN 0.455 nan 8.150 nan 0.000 0.449 40 S N -1.914 113.771 115.700 -0.025 0.000 2.497 40 S HA 0.374 4.844 4.470 -0.001 0.000 0.218 40 S C 0.343 174.879 174.600 -0.106 0.000 1.023 40 S CA 0.005 58.184 58.200 -0.036 0.000 0.913 40 S CB 0.163 63.366 63.200 0.005 0.000 0.800 40 S HN 0.490 nan 8.310 nan 0.000 0.505 41 I N 1.394 121.849 120.570 -0.192 0.000 2.534 41 I HA 0.291 4.461 4.170 -0.001 0.000 0.286 41 I C -0.212 175.591 176.117 -0.523 0.000 1.094 41 I CA -0.485 60.553 61.300 -0.437 0.000 1.055 41 I CB 1.630 39.214 38.000 -0.694 0.000 1.225 41 I HN -0.034 nan 8.210 nan 0.000 0.435 42 L N 7.671 128.646 121.223 -0.413 0.000 2.202 42 L HA 0.370 4.710 4.340 -0.001 0.000 0.205 42 L C 0.539 177.306 176.870 -0.172 0.000 1.083 42 L CA 1.588 56.283 54.840 -0.241 0.000 0.790 42 L CB -0.397 41.584 42.059 -0.130 0.000 0.942 42 L HN 0.800 nan 8.230 nan 0.000 0.452 43 F N -0.837 118.983 119.950 -0.217 0.000 2.681 43 F HA -0.212 4.314 4.527 -0.001 0.000 0.299 43 F C 0.946 176.681 175.800 -0.109 0.000 0.676 43 F CA 0.601 58.483 58.000 -0.196 0.000 1.496 43 F CB -2.070 36.765 39.000 -0.274 0.000 1.827 43 F HN 0.396 nan 8.300 nan 0.000 0.328 44 D N -0.619 119.790 120.400 0.014 0.000 2.433 44 D HA 0.133 4.773 4.640 -0.001 0.000 0.211 44 D C 1.323 177.622 176.300 -0.003 0.000 1.114 44 D CA 0.440 54.447 54.000 0.013 0.000 0.837 44 D CB -0.006 40.796 40.800 0.003 0.000 0.984 44 D HN 0.312 nan 8.370 nan 0.000 0.505 45 E N -0.047 120.137 120.200 -0.027 0.000 2.153 45 E HA 0.012 4.362 4.350 -0.001 0.000 0.194 45 E C 0.186 176.779 176.600 -0.010 0.000 0.988 45 E CA 0.792 57.194 56.400 0.003 0.000 0.811 45 E CB 0.302 29.994 29.700 -0.012 0.000 0.746 45 E HN 0.125 nan 8.360 nan 0.000 0.466 46 V N 1.279 121.156 119.914 -0.062 0.000 2.483 46 V HA 0.129 4.248 4.120 -0.001 0.000 0.297 46 V C -0.332 175.742 176.094 -0.033 0.000 1.027 46 V CA -0.952 61.294 62.300 -0.090 0.000 0.855 46 V CB 1.662 33.382 31.823 -0.171 0.000 0.995 46 V HN 0.058 nan 8.190 nan 0.000 0.424 47 E N 3.225 123.414 120.200 -0.017 0.000 2.376 47 E HA 0.395 4.745 4.350 -0.001 0.000 0.266 47 E C 1.178 177.771 176.600 -0.012 0.000 1.009 47 E CA 1.063 57.459 56.400 -0.007 0.000 0.902 47 E CB 0.663 30.364 29.700 0.000 0.000 0.972 47 E HN 1.059 nan 8.360 nan 0.000 0.439 48 G N 3.980 112.774 108.800 -0.010 0.000 2.176 48 G HA2 -0.255 3.705 3.960 -0.001 0.000 0.232 48 G HA3 -0.255 3.705 3.960 -0.001 0.000 0.232 48 G C 0.039 174.930 174.900 -0.016 0.000 0.986 48 G CA 0.084 45.177 45.100 -0.012 0.000 0.643 48 G HN 0.579 nan 8.290 nan 0.000 0.522 49 I N 1.753 122.316 120.570 -0.012 0.000 2.439 49 I HA 0.490 4.660 4.170 -0.001 0.000 0.285 49 I C -1.442 174.672 176.117 -0.005 0.000 1.021 49 I CA -0.896 60.398 61.300 -0.012 0.000 1.091 49 I CB 1.183 39.188 38.000 0.009 0.000 1.242 49 I HN -0.039 nan 8.210 nan 0.000 0.439 50 D N 7.071 127.439 120.400 -0.053 0.000 2.350 50 D HA 0.257 4.896 4.640 -0.001 0.000 0.245 50 D C -0.944 175.275 176.300 -0.135 0.000 1.036 50 D CA -0.138 53.826 54.000 -0.060 0.000 0.848 50 D CB 2.416 43.163 40.800 -0.088 0.000 1.307 50 D HN 0.257 nan 8.370 nan 0.000 0.469 51 F N 1.410 121.204 119.950 -0.260 0.000 2.412 51 F HA 0.230 4.756 4.527 -0.001 0.000 0.348 51 F C -0.106 175.484 175.800 -0.351 0.000 1.102 51 F CA -0.324 57.425 58.000 -0.419 0.000 1.196 51 F CB 0.878 39.533 39.000 -0.576 0.000 1.144 51 F HN -0.026 nan 8.300 nan 0.000 0.541 52 V N 7.955 127.325 119.914 -0.908 0.000 2.293 52 V HA 0.200 4.320 4.120 -0.001 0.000 0.275 52 V C -0.462 175.337 176.094 -0.492 0.000 1.021 52 V CA -0.830 61.116 62.300 -0.591 0.000 0.815 52 V CB 0.873 32.247 31.823 -0.747 0.000 1.025 52 V HN 0.574 nan 8.190 nan 0.000 0.448 53 L N 6.426 127.592 121.223 -0.096 0.000 2.360 53 L HA 0.582 4.922 4.340 -0.001 0.000 0.276 53 L C 0.736 177.638 176.870 0.055 0.000 1.121 53 L CA 0.951 55.850 54.840 0.100 0.000 0.845 53 L CB 1.195 43.375 42.059 0.202 0.000 1.143 53 L HN 0.855 nan 8.230 nan 0.000 0.452 54 T N 1.857 116.457 114.554 0.077 0.000 2.938 54 T HA 0.537 4.886 4.350 -0.001 0.000 0.285 54 T C 0.952 175.705 174.700 0.090 0.000 1.028 54 T CA -0.828 61.316 62.100 0.074 0.000 1.005 54 T CB 1.322 70.232 68.868 0.069 0.000 1.157 54 T HN 0.518 nan 8.240 nan 0.000 0.550 55 R N -0.293 120.260 120.500 0.088 0.000 2.246 55 R HA 0.228 4.568 4.340 -0.001 0.000 0.199 55 R C 0.540 176.932 176.300 0.153 0.000 0.984 55 R CA 0.545 56.703 56.100 0.097 0.000 1.015 55 R CB -0.687 29.657 30.300 0.073 0.000 0.930 55 R HN 0.780 nan 8.270 nan 0.000 0.475 56 H N -0.404 118.699 119.070 0.056 0.000 2.996 56 H HA 0.165 4.721 4.556 -0.001 0.000 0.368 56 H C -0.151 175.236 175.328 0.098 0.000 1.185 56 H CA -0.273 55.822 56.048 0.078 0.000 1.160 56 H CB 1.993 31.805 29.762 0.083 0.000 1.820 56 H HN -0.213 nan 8.280 nan 0.000 0.547 57 E N 2.713 122.881 120.200 -0.054 0.000 2.204 57 E HA -0.119 4.231 4.350 -0.001 0.000 0.195 57 E C 1.531 178.259 176.600 0.213 0.000 0.990 57 E CA 1.061 57.507 56.400 0.076 0.000 0.821 57 E CB -0.050 29.653 29.700 0.004 0.000 0.750 57 E HN 0.456 nan 8.360 nan 0.000 0.477 58 F N 1.441 121.574 119.950 0.306 0.000 2.095 58 F HA -0.260 4.267 4.527 -0.001 0.000 0.298 58 F C 1.999 177.837 175.800 0.063 0.000 1.104 58 F CA 1.792 59.905 58.000 0.189 0.000 1.232 58 F CB -0.682 38.428 39.000 0.183 0.000 0.987 58 F HN -0.077 nan 8.300 nan 0.000 0.475 59 T N 0.733 115.247 114.554 -0.066 0.000 2.788 59 T HA -0.159 4.191 4.350 -0.001 0.000 0.268 59 T C 2.227 176.764 174.700 -0.272 0.000 1.044 59 T CA 1.394 63.344 62.100 -0.251 0.000 1.139 59 T CB -0.847 67.987 68.868 -0.055 0.000 0.867 59 T HN 0.398 nan 8.240 nan 0.000 0.454 60 A N 1.390 124.139 122.820 -0.118 0.000 1.873 60 A HA 0.154 4.474 4.320 -0.001 0.000 0.215 60 A C 2.644 180.107 177.584 -0.202 0.000 1.186 60 A CA 1.770 53.751 52.037 -0.093 0.000 0.616 60 A CB -1.320 17.713 19.000 0.055 0.000 0.823 60 A HN 0.506 nan 8.150 nan 0.000 0.442 61 G N -0.726 107.978 108.800 -0.161 0.000 2.402 61 G HA2 -0.059 3.901 3.960 -0.001 0.000 0.216 61 G HA3 -0.059 3.901 3.960 -0.001 0.000 0.216 61 G C 1.483 176.215 174.900 -0.278 0.000 1.162 61 G CA 1.197 46.204 45.100 -0.154 0.000 0.777 61 G HN 0.310 nan 8.290 nan 0.000 0.539 62 V N 1.488 121.136 119.914 -0.444 0.000 2.358 62 V HA -0.076 4.044 4.120 -0.001 0.000 0.246 62 V C 3.298 179.080 176.094 -0.520 0.000 1.047 62 V CA 1.848 63.850 62.300 -0.497 0.000 1.035 62 V CB -0.720 30.653 31.823 -0.750 0.000 0.658 62 V HN 0.461 nan 8.190 nan 0.000 0.452 63 A N 0.213 122.660 122.820 -0.623 0.000 1.877 63 A HA -0.144 4.176 4.320 -0.001 0.000 0.216 63 A C 2.446 179.504 177.584 -0.878 0.000 1.186 63 A CA 2.167 53.729 52.037 -0.792 0.000 0.620 63 A CB -0.830 17.547 19.000 -1.038 0.000 0.822 63 A HN 0.562 nan 8.150 nan 0.000 0.443 64 A N 0.042 122.353 122.820 -0.849 0.000 1.902 64 A HA -0.245 4.074 4.320 -0.001 0.000 0.217 64 A C 1.973 179.409 177.584 -0.247 0.000 1.181 64 A CA 1.969 53.744 52.037 -0.438 0.000 0.623 64 A CB -0.701 18.202 19.000 -0.161 0.000 0.818 64 A HN 0.667 nan 8.150 nan 0.000 0.443 65 D N -0.044 120.213 120.400 -0.238 0.000 2.104 65 D HA -0.143 4.497 4.640 -0.001 0.000 0.194 65 D C 1.914 178.107 176.300 -0.180 0.000 0.994 65 D CA 2.015 55.917 54.000 -0.162 0.000 0.830 65 D CB -0.071 40.655 40.800 -0.124 0.000 0.959 65 D HN 0.222 nan 8.370 nan 0.000 0.452 66 V N 0.953 120.721 119.914 -0.243 0.000 2.379 66 V HA -0.191 3.928 4.120 -0.001 0.000 0.245 66 V C 2.641 178.615 176.094 -0.199 0.000 1.044 66 V CA 1.011 63.169 62.300 -0.237 0.000 1.036 66 V CB -0.476 31.177 31.823 -0.282 0.000 0.664 66 V HN 0.210 nan 8.190 nan 0.000 0.453 67 L N 0.983 122.091 121.223 -0.191 0.000 2.042 67 L HA -0.121 4.218 4.340 -0.001 0.000 0.210 67 L C 2.471 179.304 176.870 -0.063 0.000 1.076 67 L CA 2.380 57.161 54.840 -0.098 0.000 0.749 67 L CB -0.999 41.032 42.059 -0.046 0.000 0.893 67 L HN 0.245 nan 8.230 nan 0.000 0.432 68 A N -0.418 122.358 122.820 -0.074 0.000 1.902 68 A HA -0.274 4.046 4.320 -0.001 0.000 0.217 68 A C 2.536 180.081 177.584 -0.065 0.000 1.181 68 A CA 1.903 53.911 52.037 -0.047 0.000 0.623 68 A CB -0.669 18.304 19.000 -0.045 0.000 0.818 68 A HN 0.530 nan 8.150 nan 0.000 0.443 69 R N -0.303 120.114 120.500 -0.139 0.000 2.081 69 R HA -0.066 4.274 4.340 -0.001 0.000 0.235 69 R C 1.873 178.058 176.300 -0.191 0.000 1.131 69 R CA 1.893 57.850 56.100 -0.238 0.000 0.960 69 R CB -0.376 29.654 30.300 -0.451 0.000 0.856 69 R HN 0.530 nan 8.270 nan 0.000 0.436 70 I N 0.442 120.928 120.570 -0.139 0.000 2.406 70 I HA -0.178 3.992 4.170 -0.001 0.000 0.249 70 I C 2.282 178.451 176.117 0.087 0.000 1.122 70 I CA 1.590 62.904 61.300 0.023 0.000 1.431 70 I CB -0.221 37.785 38.000 0.011 0.000 1.087 70 I HN 0.407 nan 8.210 nan 0.000 0.424 71 T N -2.097 112.482 114.554 0.041 0.000 3.014 71 T HA 0.131 4.481 4.350 -0.001 0.000 0.263 71 T C 1.678 176.414 174.700 0.059 0.000 1.078 71 T CA 0.606 62.737 62.100 0.051 0.000 1.135 71 T CB 0.020 68.911 68.868 0.038 0.000 0.895 71 T HN 0.488 nan 8.240 nan 0.000 0.480 72 G N 1.726 110.560 108.800 0.056 0.000 2.160 72 G HA2 -0.244 3.716 3.960 -0.001 0.000 0.251 72 G HA3 -0.244 3.716 3.960 -0.001 0.000 0.251 72 G C 0.005 174.930 174.900 0.042 0.000 1.008 72 G CA 0.035 45.169 45.100 0.058 0.000 0.724 72 G HN 0.718 nan 8.290 nan 0.000 0.514 73 R N 0.186 120.707 120.500 0.034 0.000 2.686 73 R HA 0.465 4.805 4.340 -0.001 0.000 0.286 73 R C -2.652 173.665 176.300 0.029 0.000 0.969 73 R CA -2.110 54.012 56.100 0.037 0.000 0.898 73 R CB 2.301 32.627 30.300 0.044 0.000 1.183 73 R HN 0.041 nan 8.270 nan 0.000 0.456 74 P HA -0.044 nan 4.420 nan 0.000 0.265 74 P C -0.830 176.492 177.300 0.036 0.000 1.193 74 P CA 0.174 63.283 63.100 0.014 0.000 0.765 74 P CB 0.817 32.508 31.700 -0.015 0.000 0.823 75 Q N 0.780 120.603 119.800 0.039 0.000 2.572 75 Q HA 0.823 5.163 4.340 -0.001 0.000 0.284 75 Q C -0.751 175.303 176.000 0.089 0.000 1.091 75 Q CA -0.975 54.873 55.803 0.075 0.000 0.840 75 Q CB 2.397 31.183 28.738 0.081 0.000 1.433 75 Q HN 0.523 nan 8.270 nan 0.000 0.471 76 A N 0.175 123.080 122.820 0.142 0.000 2.449 76 A HA 0.787 5.106 4.320 -0.001 0.000 0.302 76 A C -0.573 177.139 177.584 0.213 0.000 1.048 76 A CA -0.525 51.608 52.037 0.160 0.000 0.708 76 A CB 0.781 19.878 19.000 0.162 0.000 1.274 76 A HN 0.828 nan 8.150 nan 0.000 0.410 77 C N -0.303 119.121 119.300 0.207 0.000 3.080 77 C HA 0.974 5.434 4.460 -0.001 0.000 0.307 77 C C -1.102 174.080 174.990 0.320 0.000 1.311 77 C CA -0.924 58.231 59.018 0.227 0.000 1.533 77 C CB 1.428 29.251 27.740 0.139 0.000 1.970 77 C HN 1.102 nan 8.230 nan 0.000 0.467 78 W N 1.248 122.618 121.300 0.116 0.000 3.259 78 W HA 0.640 5.299 4.660 -0.001 0.000 0.331 78 W C -1.083 175.548 176.519 0.187 0.000 1.144 78 W CA -0.049 57.411 57.345 0.193 0.000 1.227 78 W CB 2.157 31.796 29.460 0.298 0.000 1.371 78 W HN 1.304 nan 8.180 nan 0.000 0.491 79 A N 2.740 125.496 122.820 -0.106 0.000 2.527 79 A HA 0.644 4.964 4.320 -0.001 0.000 0.293 79 A C -0.555 176.974 177.584 -0.091 0.000 1.117 79 A CA -0.420 51.642 52.037 0.040 0.000 0.723 79 A CB 1.865 20.884 19.000 0.033 0.000 1.313 79 A HN 0.465 nan 8.150 nan 0.000 0.411 80 T N -0.073 114.533 114.554 0.086 0.000 2.729 80 T HA 0.481 4.831 4.350 -0.001 0.000 0.298 80 T C 0.628 175.335 174.700 0.011 0.000 1.013 80 T CA 0.093 62.241 62.100 0.079 0.000 0.957 80 T CB -0.170 68.773 68.868 0.125 0.000 1.130 80 T HN 1.060 nan 8.240 nan 0.000 0.526 81 L N -0.155 121.079 121.223 0.018 0.000 2.472 81 L HA 0.621 4.961 4.340 -0.001 0.000 0.260 81 L C 1.349 178.213 176.870 -0.010 0.000 1.209 81 L CA -0.130 54.711 54.840 0.002 0.000 0.817 81 L CB -0.751 41.309 42.059 0.002 0.000 1.106 81 L HN 0.907 nan 8.230 nan 0.000 0.479 82 G N 1.374 110.163 108.800 -0.020 0.000 2.646 82 G HA2 -0.329 3.631 3.960 -0.001 0.000 0.324 82 G HA3 -0.329 3.631 3.960 -0.001 0.000 0.324 82 G C -1.035 173.844 174.900 -0.036 0.000 1.195 82 G CA 0.401 45.479 45.100 -0.038 0.000 0.976 82 G HN 0.786 nan 8.290 nan 0.000 0.546 83 P HA -0.002 nan 4.420 nan 0.000 0.222 83 P C 1.906 179.187 177.300 -0.032 0.000 1.147 83 P CA 2.341 65.421 63.100 -0.033 0.000 0.790 83 P CB -0.649 31.031 31.700 -0.032 0.000 0.780 84 G N 0.731 109.519 108.800 -0.020 0.000 2.433 84 G HA2 -0.262 3.698 3.960 -0.001 0.000 0.216 84 G HA3 -0.262 3.698 3.960 -0.001 0.000 0.216 84 G C 1.552 176.445 174.900 -0.013 0.000 1.186 84 G CA 0.944 46.038 45.100 -0.011 0.000 0.779 84 G HN 0.147 nan 8.290 nan 0.000 0.543 85 M N 2.066 121.657 119.600 -0.015 0.000 2.108 85 M HA -0.120 4.360 4.480 -0.001 0.000 0.261 85 M C 2.732 178.994 176.300 -0.064 0.000 1.066 85 M CA 2.554 57.836 55.300 -0.031 0.000 1.107 85 M CB -1.193 31.396 32.600 -0.018 0.000 1.356 85 M HN 0.407 nan 8.290 nan 0.000 0.406 86 T N -0.997 113.526 114.554 -0.052 0.000 2.821 86 T HA -0.109 4.241 4.350 -0.001 0.000 0.267 86 T C 1.595 176.291 174.700 -0.006 0.000 1.046 86 T CA 1.606 63.679 62.100 -0.044 0.000 1.139 86 T CB -0.672 68.174 68.868 -0.035 0.000 0.871 86 T HN 0.329 nan 8.240 nan 0.000 0.454 87 N N 1.429 120.130 118.700 0.002 0.000 2.120 87 N HA 0.018 4.757 4.740 -0.001 0.000 0.188 87 N C 1.676 177.247 175.510 0.102 0.000 1.024 87 N CA 0.797 53.875 53.050 0.046 0.000 0.852 87 N CB -0.744 37.684 38.487 -0.099 0.000 1.003 87 N HN 0.290 nan 8.380 nan 0.000 0.424 88 L N 1.073 122.327 121.223 0.051 0.000 2.191 88 L HA -0.074 4.266 4.340 -0.001 0.000 0.212 88 L C 2.168 179.075 176.870 0.062 0.000 1.103 88 L CA 1.176 56.059 54.840 0.070 0.000 0.769 88 L CB -0.769 41.317 42.059 0.045 0.000 0.908 88 L HN 0.224 nan 8.230 nan 0.000 0.438 89 S N -2.731 112.979 115.700 0.016 0.000 2.423 89 S HA -0.167 4.303 4.470 -0.001 0.000 0.231 89 S C 1.798 176.427 174.600 0.048 0.000 1.014 89 S CA 1.428 59.617 58.200 -0.018 0.000 0.965 89 S CB -0.816 62.338 63.200 -0.077 0.000 0.785 89 S HN 0.513 nan 8.310 nan 0.000 0.495 90 T N 1.466 116.094 114.554 0.124 0.000 2.867 90 T HA 0.086 4.436 4.350 -0.001 0.000 0.268 90 T C 1.971 176.857 174.700 0.309 0.000 1.057 90 T CA 1.246 63.462 62.100 0.194 0.000 1.136 90 T CB -0.966 67.996 68.868 0.157 0.000 0.874 90 T HN 0.630 nan 8.240 nan 0.000 0.466 91 G N 1.391 110.367 108.800 0.293 0.000 2.402 91 G HA2 -0.095 3.865 3.960 -0.001 0.000 0.216 91 G HA3 -0.095 3.865 3.960 -0.001 0.000 0.216 91 G C 1.513 176.452 174.900 0.065 0.000 1.162 91 G CA 0.347 45.523 45.100 0.126 0.000 0.777 91 G HN 0.481 nan 8.290 nan 0.000 0.539 92 I N 1.498 122.100 120.570 0.053 0.000 2.163 92 I HA -0.207 3.963 4.170 -0.001 0.000 0.243 92 I C 3.293 179.425 176.117 0.025 0.000 1.085 92 I CA 1.056 62.370 61.300 0.023 0.000 1.347 92 I CB -0.237 37.751 38.000 -0.020 0.000 1.044 92 I HN 0.237 nan 8.210 nan 0.000 0.408 93 A N 0.278 123.119 122.820 0.035 0.000 1.940 93 A HA -0.210 4.110 4.320 -0.001 0.000 0.219 93 A C 2.376 179.987 177.584 0.045 0.000 1.176 93 A CA 2.434 54.489 52.037 0.031 0.000 0.631 93 A CB -1.073 17.946 19.000 0.031 0.000 0.814 93 A HN 0.403 nan 8.150 nan 0.000 0.446 94 T N -0.575 114.030 114.554 0.085 0.000 2.708 94 T HA -0.150 4.200 4.350 -0.001 0.000 0.266 94 T C 2.296 177.019 174.700 0.038 0.000 1.037 94 T CA 1.846 63.998 62.100 0.087 0.000 1.146 94 T CB -0.349 68.612 68.868 0.154 0.000 0.865 94 T HN 0.588 nan 8.240 nan 0.000 0.435 95 S N 0.192 115.907 115.700 0.024 0.000 2.383 95 S HA -0.067 4.402 4.470 -0.001 0.000 0.227 95 S C 2.153 176.755 174.600 0.004 0.000 1.026 95 S CA 1.012 59.214 58.200 0.004 0.000 0.981 95 S CB -0.500 62.701 63.200 0.001 0.000 0.818 95 S HN 0.264 nan 8.310 nan 0.000 0.472 96 V N 0.936 120.855 119.914 0.008 0.000 2.453 96 V HA 0.071 4.190 4.120 -0.001 0.000 0.247 96 V C 2.122 178.214 176.094 -0.003 0.000 1.048 96 V CA 1.659 63.962 62.300 0.005 0.000 1.049 96 V CB -0.245 31.581 31.823 0.006 0.000 0.672 96 V HN 0.550 nan 8.190 nan 0.000 0.457 97 L N -0.745 120.474 121.223 -0.008 0.000 2.249 97 L HA 0.057 4.397 4.340 -0.001 0.000 0.207 97 L C 1.854 178.703 176.870 -0.035 0.000 1.090 97 L CA 0.935 55.761 54.840 -0.022 0.000 0.802 97 L CB -0.284 41.759 42.059 -0.027 0.000 0.947 97 L HN 0.284 nan 8.230 nan 0.000 0.453 98 D N 0.006 120.389 120.400 -0.028 0.000 2.349 98 D HA 0.012 4.651 4.640 -0.001 0.000 0.215 98 D C -0.133 176.148 176.300 -0.031 0.000 1.016 98 D CA 0.135 54.112 54.000 -0.037 0.000 0.870 98 D CB 0.229 41.011 40.800 -0.031 0.000 0.917 98 D HN -0.023 nan 8.370 nan 0.000 0.524 99 R N 0.459 120.946 120.500 -0.021 0.000 2.496 99 R HA -0.110 4.229 4.340 -0.001 0.000 0.326 99 R C -0.567 175.721 176.300 -0.021 0.000 1.032 99 R CA 0.303 56.394 56.100 -0.015 0.000 0.827 99 R CB -3.099 27.196 30.300 -0.010 0.000 2.368 99 R HN 0.339 nan 8.270 nan 0.000 0.490 100 S N 0.224 115.911 115.700 -0.022 0.000 2.541 100 S HA 0.751 5.221 4.470 -0.001 0.000 0.271 100 S C -2.872 171.717 174.600 -0.018 0.000 1.133 100 S CA -1.588 56.593 58.200 -0.031 0.000 0.876 100 S CB 3.637 66.802 63.200 -0.059 0.000 1.105 100 S HN 0.177 nan 8.310 nan 0.000 0.470 101 P HA 0.366 nan 4.420 nan 0.000 0.266 101 P C -0.937 176.359 177.300 -0.006 0.000 1.586 101 P CA -0.297 62.797 63.100 -0.010 0.000 1.088 101 P CB 0.538 32.232 31.700 -0.011 0.000 1.584 102 V N 5.600 125.516 119.914 0.004 0.000 2.495 102 V HA 0.335 4.454 4.120 -0.001 0.000 0.298 102 V C 0.382 176.500 176.094 0.040 0.000 1.031 102 V CA -0.807 61.504 62.300 0.018 0.000 0.871 102 V CB 2.267 34.096 31.823 0.010 0.000 0.988 102 V HN 0.311 nan 8.190 nan 0.000 0.432 103 I N 4.153 124.753 120.570 0.049 0.000 2.297 103 I HA 0.529 4.699 4.170 -0.001 0.000 0.291 103 I C 0.560 176.741 176.117 0.107 0.000 1.033 103 I CA -0.298 61.042 61.300 0.066 0.000 1.253 103 I CB 0.970 38.995 38.000 0.040 0.000 1.396 103 I HN 0.682 nan 8.210 nan 0.000 0.476 104 A N 8.320 131.224 122.820 0.141 0.000 2.276 104 A HA 0.808 5.127 4.320 -0.001 0.000 0.316 104 A C -0.475 177.192 177.584 0.139 0.000 1.229 104 A CA -0.464 51.688 52.037 0.191 0.000 0.851 104 A CB 0.650 19.809 19.000 0.265 0.000 1.165 104 A HN 0.689 nan 8.150 nan 0.000 0.513 105 L N 2.126 123.365 121.223 0.027 0.000 2.362 105 L HA 0.784 5.123 4.340 -0.001 0.000 0.275 105 L C 0.166 176.766 176.870 -0.450 0.000 0.998 105 L CA -0.385 54.299 54.840 -0.260 0.000 0.820 105 L CB 2.085 44.032 42.059 -0.187 0.000 1.270 105 L HN 0.788 nan 8.230 nan 0.000 0.415 106 A N 2.152 124.688 122.820 -0.474 0.000 2.449 106 A HA 0.903 5.222 4.320 -0.001 0.000 0.302 106 A C -0.420 176.931 177.584 -0.389 0.000 1.048 106 A CA -0.450 51.356 52.037 -0.384 0.000 0.708 106 A CB 1.647 20.702 19.000 0.093 0.000 1.274 106 A HN 0.757 nan 8.150 nan 0.000 0.410 107 A N 0.652 123.279 122.820 -0.322 0.000 2.346 107 A HA 0.607 4.926 4.320 -0.001 0.000 0.252 107 A C 0.122 177.666 177.584 -0.066 0.000 1.089 107 A CA 0.173 52.129 52.037 -0.136 0.000 0.797 107 A CB 0.492 19.495 19.000 0.006 0.000 1.047 107 A HN 1.111 nan 8.150 nan 0.000 0.494 108 Q N -0.207 119.566 119.800 -0.044 0.000 2.456 108 Q HA 0.525 4.865 4.340 -0.001 0.000 0.283 108 Q C -0.428 175.553 176.000 -0.031 0.000 1.084 108 Q CA -0.335 55.447 55.803 -0.034 0.000 0.801 108 Q CB 1.728 30.436 28.738 -0.050 0.000 1.434 108 Q HN 0.752 nan 8.270 nan 0.000 0.419 109 S N 1.697 117.374 115.700 -0.038 0.000 2.550 109 S HA 0.011 4.480 4.470 -0.001 0.000 0.285 109 S C -0.552 173.993 174.600 -0.092 0.000 1.326 109 S CA -0.002 58.166 58.200 -0.053 0.000 1.037 109 S CB 0.019 63.179 63.200 -0.065 0.000 0.838 109 S HN 0.553 nan 8.310 nan 0.000 0.519 110 E N 1.658 121.787 120.200 -0.117 0.000 2.568 110 E HA -0.040 4.310 4.350 -0.001 0.000 0.262 110 E C 1.367 177.800 176.600 -0.278 0.000 0.961 110 E CA 0.566 56.857 56.400 -0.181 0.000 0.945 110 E CB 0.305 29.848 29.700 -0.262 0.000 0.924 110 E HN 0.637 nan 8.360 nan 0.000 0.467 111 S N 3.470 119.082 115.700 -0.147 0.000 2.374 111 S HA -0.290 4.179 4.470 -0.001 0.000 0.227 111 S C 1.654 176.162 174.600 -0.154 0.000 1.037 111 S CA 1.687 59.820 58.200 -0.111 0.000 1.024 111 S CB -0.550 62.643 63.200 -0.012 0.000 0.861 111 S HN 0.772 nan 8.310 nan 0.000 0.456 112 H N -0.326 118.700 119.070 -0.074 0.000 2.559 112 H HA 0.223 4.779 4.556 -0.001 0.000 0.273 112 H C 0.476 175.735 175.328 -0.115 0.000 1.000 112 H CA 1.135 57.138 56.048 -0.074 0.000 1.195 112 H CB -0.379 29.377 29.762 -0.010 0.000 1.368 112 H HN 0.480 nan 8.280 nan 0.000 0.592 113 D N 0.600 120.693 120.400 -0.511 0.000 2.501 113 D HA 0.200 4.840 4.640 -0.001 0.000 0.224 113 D C -0.040 176.020 176.300 -0.399 0.000 1.202 113 D CA -0.307 53.499 54.000 -0.324 0.000 0.829 113 D CB -0.061 40.577 40.800 -0.271 0.000 1.023 113 D HN 0.268 nan 8.370 nan 0.000 0.499 114 I N 1.635 121.863 120.570 -0.570 0.000 2.372 114 I HA 0.096 4.265 4.170 -0.001 0.000 0.298 114 I C -0.571 175.119 176.117 -0.711 0.000 1.137 114 I CA 0.170 61.196 61.300 -0.456 0.000 1.314 114 I CB -0.128 37.693 38.000 -0.298 0.000 1.444 114 I HN -0.097 nan 8.210 nan 0.000 0.541 115 F N 7.269 127.208 119.950 -0.019 0.000 2.691 115 F HA 0.393 4.919 4.527 -0.001 0.000 0.371 115 F C -2.282 173.512 175.800 -0.010 0.000 1.159 115 F CA -2.787 55.208 58.000 -0.009 0.000 1.174 115 F CB 0.677 39.676 39.000 -0.003 0.000 1.419 115 F HN 0.235 nan 8.300 nan 0.000 0.514 116 P HA 0.081 nan 4.420 nan 0.000 0.265 116 P C 0.117 177.455 177.300 0.064 0.000 1.193 116 P CA 0.593 63.725 63.100 0.054 0.000 0.765 116 P CB 0.443 32.158 31.700 0.025 0.000 0.823 117 N N 0.914 119.637 118.700 0.039 0.000 2.863 117 N HA -0.179 4.561 4.740 -0.001 0.000 0.245 117 N C 0.227 175.763 175.510 0.044 0.000 1.001 117 N CA 1.366 54.434 53.050 0.029 0.000 0.901 117 N CB -1.500 37.000 38.487 0.021 0.000 1.124 117 N HN 0.528 nan 8.380 nan 0.000 0.582 118 D N -1.029 119.417 120.400 0.077 0.000 2.753 118 D HA 0.089 4.728 4.640 -0.001 0.000 0.291 118 D C 0.284 176.643 176.300 0.099 0.000 1.075 118 D CA 0.649 54.694 54.000 0.075 0.000 0.946 118 D CB 0.140 40.980 40.800 0.066 0.000 1.376 118 D HN 0.062 nan 8.370 nan 0.000 0.482 119 T N 0.995 115.641 114.554 0.153 0.000 2.898 119 T HA 0.001 4.350 4.350 -0.001 0.000 0.301 119 T C 0.324 175.097 174.700 0.122 0.000 1.049 119 T CA -0.139 62.056 62.100 0.158 0.000 1.095 119 T CB 0.964 69.941 68.868 0.182 0.000 0.976 119 T HN 0.073 nan 8.240 nan 0.000 0.539 120 H N 2.416 121.513 119.070 0.044 0.000 3.070 120 H HA -0.044 4.512 4.556 -0.001 0.000 0.313 120 H C 0.792 176.135 175.328 0.026 0.000 0.997 120 H CA 0.873 56.939 56.048 0.030 0.000 1.438 120 H CB 0.193 29.971 29.762 0.026 0.000 1.455 120 H HN 0.767 nan 8.280 nan 0.000 0.575 121 Q N 1.413 120.970 119.800 -0.406 0.000 2.439 121 Q HA -0.250 4.090 4.340 -0.001 0.000 0.247 121 Q C -0.087 175.857 176.000 -0.094 0.000 0.899 121 Q CA 0.930 56.579 55.803 -0.257 0.000 1.201 121 Q CB -1.701 26.899 28.738 -0.230 0.000 1.608 121 Q HN 0.504 nan 8.270 nan 0.000 0.563 122 C N 1.257 120.528 119.300 -0.048 0.000 2.303 122 C HA 0.637 5.097 4.460 -0.001 0.000 0.341 122 C C 0.219 175.201 174.990 -0.014 0.000 1.244 122 C CA -0.451 58.558 59.018 -0.016 0.000 1.765 122 C CB -0.407 27.342 27.740 0.015 0.000 2.379 122 C HN 0.345 nan 8.230 nan 0.000 0.530 123 L N 4.444 125.656 121.223 -0.019 0.000 2.323 123 L HA 0.433 4.773 4.340 -0.001 0.000 0.265 123 L C -0.099 176.763 176.870 -0.012 0.000 1.012 123 L CA -0.519 54.310 54.840 -0.017 0.000 0.820 123 L CB 1.467 43.509 42.059 -0.029 0.000 1.334 123 L HN 0.483 nan 8.230 nan 0.000 0.427 124 D N 0.406 120.798 120.400 -0.013 0.000 2.551 124 D HA 0.087 4.726 4.640 -0.001 0.000 0.223 124 D C 0.941 177.234 176.300 -0.012 0.000 1.144 124 D CA 0.182 54.175 54.000 -0.011 0.000 1.025 124 D CB 0.672 41.465 40.800 -0.012 0.000 1.085 124 D HN 0.437 nan 8.370 nan 0.000 0.506 125 S N 0.804 116.512 115.700 0.015 0.000 2.365 125 S HA -0.164 4.306 4.470 -0.001 0.000 0.225 125 S C 2.164 176.778 174.600 0.025 0.000 1.039 125 S CA 0.857 59.073 58.200 0.027 0.000 1.033 125 S CB 0.007 63.326 63.200 0.198 0.000 0.887 125 S HN 0.425 nan 8.310 nan 0.000 0.447 126 V N 2.028 122.012 119.914 0.116 0.000 2.295 126 V HA -0.204 3.915 4.120 -0.001 0.000 0.246 126 V C 2.693 178.786 176.094 -0.003 0.000 1.049 126 V CA 1.708 64.071 62.300 0.106 0.000 1.024 126 V CB -1.281 30.582 31.823 0.068 0.000 0.648 126 V HN 0.563 nan 8.190 nan 0.000 0.447 127 A N -0.369 122.440 122.820 -0.018 0.000 1.978 127 A HA -0.181 4.138 4.320 -0.001 0.000 0.220 127 A C 2.161 179.711 177.584 -0.055 0.000 1.170 127 A CA 1.966 53.983 52.037 -0.034 0.000 0.636 127 A CB -0.539 18.446 19.000 -0.026 0.000 0.810 127 A HN 0.538 nan 8.150 nan 0.000 0.448 128 I N -1.054 119.468 120.570 -0.080 0.000 2.406 128 I HA -0.128 4.042 4.170 -0.001 0.000 0.249 128 I C 2.034 178.065 176.117 -0.143 0.000 1.122 128 I CA 0.785 62.023 61.300 -0.104 0.000 1.431 128 I CB 0.085 38.017 38.000 -0.114 0.000 1.087 128 I HN 0.146 nan 8.210 nan 0.000 0.424 129 V N 0.291 120.078 119.914 -0.212 0.000 2.825 129 V HA 0.043 4.163 4.120 -0.001 0.000 0.246 129 V C 2.556 178.568 176.094 -0.137 0.000 1.068 129 V CA 1.120 63.258 62.300 -0.271 0.000 1.088 129 V CB -0.349 31.082 31.823 -0.653 0.000 0.733 129 V HN 0.384 nan 8.190 nan 0.000 0.468 130 A N 1.213 123.983 122.820 -0.082 0.000 1.927 130 A HA -0.187 4.133 4.320 -0.001 0.000 0.220 130 A C 0.466 178.031 177.584 -0.031 0.000 1.185 130 A CA 2.364 54.378 52.037 -0.038 0.000 0.639 130 A CB -1.919 17.061 19.000 -0.033 0.000 0.820 130 A HN 0.555 nan 8.150 nan 0.000 0.451 131 P HA -0.068 nan 4.420 nan 0.000 0.230 131 P C 0.964 178.249 177.300 -0.024 0.000 1.158 131 P CA 1.262 64.346 63.100 -0.028 0.000 0.769 131 P CB -0.110 31.571 31.700 -0.032 0.000 0.807 132 M N -3.180 116.400 119.600 -0.034 0.000 2.692 132 M HA 0.382 4.861 4.480 -0.001 0.000 0.372 132 M C -0.299 175.995 176.300 -0.010 0.000 1.192 132 M CA -0.426 54.859 55.300 -0.025 0.000 0.928 132 M CB 0.585 33.162 32.600 -0.038 0.000 1.366 132 M HN -0.262 nan 8.290 nan 0.000 0.517 133 S N -1.184 114.520 115.700 0.007 0.000 2.651 133 S HA 0.604 5.074 4.470 -0.001 0.000 0.279 133 S C 0.319 174.957 174.600 0.064 0.000 1.148 133 S CA -0.947 57.278 58.200 0.043 0.000 0.837 133 S CB 1.815 65.056 63.200 0.068 0.000 1.138 133 S HN 0.147 nan 8.310 nan 0.000 0.478 134 K N -0.362 120.096 120.400 0.096 0.000 2.305 134 K HA 0.228 4.548 4.320 -0.001 0.000 0.199 134 K C -0.544 176.172 176.600 0.194 0.000 1.047 134 K CA 0.884 57.238 56.287 0.111 0.000 0.976 134 K CB -0.402 32.151 32.500 0.089 0.000 0.765 134 K HN 0.734 nan 8.250 nan 0.000 0.474 135 Y N -0.908 119.413 120.300 0.036 0.000 2.465 135 Y HA 0.410 4.959 4.550 -0.001 0.000 0.323 135 Y C -2.140 173.807 175.900 0.079 0.000 1.191 135 Y CA -1.081 57.042 58.100 0.038 0.000 1.082 135 Y CB 1.254 39.726 38.460 0.020 0.000 1.334 135 Y HN -0.066 nan 8.280 nan 0.000 0.449 136 A N 4.998 127.607 122.820 -0.352 0.000 2.437 136 A HA 0.775 5.095 4.320 -0.001 0.000 0.293 136 A C -2.224 175.152 177.584 -0.348 0.000 1.038 136 A CA -0.400 51.552 52.037 -0.142 0.000 0.708 136 A CB 1.473 20.523 19.000 0.083 0.000 1.251 136 A HN 1.229 nan 8.150 nan 0.000 0.409 137 V N 1.523 121.257 119.914 -0.299 0.000 3.087 137 V HA 0.677 4.797 4.120 -0.001 0.000 0.306 137 V C -1.024 174.954 176.094 -0.194 0.000 1.187 137 V CA -0.503 61.633 62.300 -0.273 0.000 0.999 137 V CB 2.052 33.679 31.823 -0.327 0.000 1.049 137 V HN 1.003 nan 8.190 nan 0.000 0.431 138 E N 3.596 123.713 120.200 -0.137 0.000 2.158 138 E HA 0.429 4.779 4.350 -0.001 0.000 0.271 138 E C -1.115 175.423 176.600 -0.103 0.000 0.911 138 E CA -0.880 55.445 56.400 -0.125 0.000 0.767 138 E CB 1.793 31.443 29.700 -0.084 0.000 1.120 138 E HN 0.675 nan 8.360 nan 0.000 0.405 139 L N 4.338 125.498 121.223 -0.105 0.000 2.499 139 L HA -0.026 4.314 4.340 -0.001 0.000 0.273 139 L C 0.366 177.200 176.870 -0.060 0.000 1.195 139 L CA 1.229 56.023 54.840 -0.075 0.000 0.882 139 L CB 0.544 42.563 42.059 -0.067 0.000 1.133 139 L HN 0.751 nan 8.230 nan 0.000 0.483 140 Q N 3.571 123.339 119.800 -0.053 0.000 2.404 140 Q HA 0.304 4.644 4.340 -0.001 0.000 0.262 140 Q C -0.144 175.841 176.000 -0.025 0.000 0.846 140 Q CA 0.048 55.828 55.803 -0.038 0.000 0.978 140 Q CB 0.851 29.568 28.738 -0.036 0.000 1.156 140 Q HN 0.577 nan 8.270 nan 0.000 0.548 141 R N 0.773 121.244 120.500 -0.048 0.000 2.451 141 R HA 0.238 4.578 4.340 -0.001 0.000 0.307 141 R C -2.226 174.035 176.300 -0.066 0.000 0.965 141 R CA -1.813 54.267 56.100 -0.034 0.000 0.865 141 R CB 1.481 31.754 30.300 -0.044 0.000 1.174 141 R HN -0.111 nan 8.270 nan 0.000 0.455 142 P HA -0.263 nan 4.420 nan 0.000 0.216 142 P C 0.903 178.222 177.300 0.031 0.000 1.154 142 P CA 1.372 64.490 63.100 0.031 0.000 0.865 142 P CB 0.043 31.783 31.700 0.066 0.000 0.789 143 H N -0.379 118.703 119.070 0.020 0.000 2.521 143 H HA 0.046 4.602 4.556 -0.001 0.000 0.286 143 H C 1.110 176.454 175.328 0.027 0.000 1.034 143 H CA 0.965 57.027 56.048 0.023 0.000 1.278 143 H CB -0.725 29.048 29.762 0.018 0.000 1.386 143 H HN 0.227 nan 8.280 nan 0.000 0.567 144 E N 0.279 120.178 120.200 -0.502 0.000 2.482 144 E HA -0.028 4.322 4.350 -0.001 0.000 0.196 144 E C 1.759 178.294 176.600 -0.108 0.000 1.047 144 E CA 0.109 56.315 56.400 -0.323 0.000 0.869 144 E CB 0.006 29.505 29.700 -0.335 0.000 0.836 144 E HN 0.266 nan 8.360 nan 0.000 0.520 145 I N 1.215 121.750 120.570 -0.058 0.000 2.248 145 I HA -0.299 3.871 4.170 -0.001 0.000 0.248 145 I C 1.939 178.068 176.117 0.020 0.000 1.107 145 I CA 1.649 62.945 61.300 -0.006 0.000 1.373 145 I CB -0.392 37.620 38.000 0.020 0.000 1.055 145 I HN 0.012 nan 8.210 nan 0.000 0.418 146 T N 0.596 115.168 114.554 0.030 0.000 2.708 146 T HA -0.209 4.141 4.350 -0.001 0.000 0.266 146 T C 1.427 176.153 174.700 0.044 0.000 1.037 146 T CA 1.822 63.952 62.100 0.050 0.000 1.146 146 T CB -0.577 68.328 68.868 0.061 0.000 0.865 146 T HN 0.697 nan 8.240 nan 0.000 0.435 147 D N 1.103 121.518 120.400 0.024 0.000 2.224 147 D HA -0.025 4.615 4.640 -0.001 0.000 0.205 147 D C 1.980 178.287 176.300 0.012 0.000 0.965 147 D CA 0.593 54.605 54.000 0.020 0.000 0.852 147 D CB -0.662 40.148 40.800 0.016 0.000 0.947 147 D HN 0.339 nan 8.370 nan 0.000 0.494 148 L N 0.225 121.460 121.223 0.020 0.000 2.056 148 L HA -0.098 4.242 4.340 -0.001 0.000 0.207 148 L C 2.534 179.401 176.870 -0.005 0.000 1.078 148 L CA 0.617 55.490 54.840 0.055 0.000 0.749 148 L CB -0.426 41.671 42.059 0.063 0.000 0.901 148 L HN 0.057 nan 8.230 nan 0.000 0.433 149 V N 0.015 119.926 119.914 -0.005 0.000 2.295 149 V HA -0.293 3.827 4.120 -0.001 0.000 0.246 149 V C 2.163 178.186 176.094 -0.119 0.000 1.049 149 V CA 1.957 64.235 62.300 -0.037 0.000 1.024 149 V CB -0.536 31.307 31.823 0.034 0.000 0.648 149 V HN 0.425 nan 8.190 nan 0.000 0.447 150 D N 0.081 120.460 120.400 -0.036 0.000 2.104 150 D HA -0.137 4.503 4.640 -0.001 0.000 0.194 150 D C 2.438 178.636 176.300 -0.169 0.000 0.994 150 D CA 1.802 55.780 54.000 -0.036 0.000 0.830 150 D CB -0.335 40.500 40.800 0.059 0.000 0.959 150 D HN 0.375 nan 8.370 nan 0.000 0.452 151 S N 0.222 115.788 115.700 -0.223 0.000 2.383 151 S HA -0.075 4.394 4.470 -0.001 0.000 0.227 151 S C 2.065 176.175 174.600 -0.817 0.000 1.026 151 S CA 0.906 58.859 58.200 -0.413 0.000 0.981 151 S CB -0.153 62.861 63.200 -0.310 0.000 0.818 151 S HN 0.367 nan 8.310 nan 0.000 0.472 152 A N 1.226 123.553 122.820 -0.821 0.000 1.877 152 A HA -0.068 4.252 4.320 -0.001 0.000 0.216 152 A C 2.333 179.707 177.584 -0.351 0.000 1.186 152 A CA 1.624 53.278 52.037 -0.639 0.000 0.620 152 A CB -0.969 17.892 19.000 -0.232 0.000 0.822 152 A HN 0.341 nan 8.150 nan 0.000 0.443 153 V N 0.904 120.622 119.914 -0.326 0.000 2.343 153 V HA -0.264 3.855 4.120 -0.001 0.000 0.247 153 V C 2.354 178.329 176.094 -0.198 0.000 1.051 153 V CA 2.119 64.245 62.300 -0.290 0.000 1.036 153 V CB -1.049 30.453 31.823 -0.535 0.000 0.654 153 V HN 0.544 nan 8.190 nan 0.000 0.451 154 N N 0.721 119.304 118.700 -0.196 0.000 2.061 154 N HA -0.189 4.551 4.740 -0.001 0.000 0.193 154 N C 1.845 177.289 175.510 -0.110 0.000 1.030 154 N CA 1.977 54.951 53.050 -0.127 0.000 0.856 154 N CB -0.559 37.857 38.487 -0.118 0.000 1.023 154 N HN 0.512 nan 8.380 nan 0.000 0.424 155 A N 0.502 123.227 122.820 -0.158 0.000 1.929 155 A HA 0.164 4.483 4.320 -0.001 0.000 0.216 155 A C 2.322 179.885 177.584 -0.035 0.000 1.176 155 A CA 1.649 53.641 52.037 -0.075 0.000 0.628 155 A CB -0.694 18.276 19.000 -0.049 0.000 0.816 155 A HN 0.319 nan 8.150 nan 0.000 0.444 156 A N -1.031 121.756 122.820 -0.056 0.000 1.933 156 A HA -0.035 4.285 4.320 -0.001 0.000 0.218 156 A C 1.851 179.421 177.584 -0.023 0.000 1.175 156 A CA 1.649 53.669 52.037 -0.027 0.000 0.628 156 A CB -0.344 18.633 19.000 -0.038 0.000 0.814 156 A HN 0.386 nan 8.150 nan 0.000 0.444 157 M N 0.835 120.413 119.600 -0.036 0.000 2.530 157 M HA 0.116 4.595 4.480 -0.001 0.000 0.231 157 M C -0.407 175.885 176.300 -0.014 0.000 1.180 157 M CA 0.532 55.819 55.300 -0.021 0.000 0.985 157 M CB -0.835 31.752 32.600 -0.021 0.000 1.623 157 M HN 0.136 nan 8.290 nan 0.000 0.475 158 T N 1.144 115.690 114.554 -0.013 0.000 2.794 158 T HA 0.273 4.622 4.350 -0.001 0.000 0.280 158 T C 0.357 175.054 174.700 -0.004 0.000 0.987 158 T CA -0.645 61.450 62.100 -0.008 0.000 0.993 158 T CB 1.905 70.769 68.868 -0.007 0.000 0.939 158 T HN 0.093 nan 8.240 nan 0.000 0.449 159 E N 4.131 124.327 120.200 -0.006 0.000 2.392 159 E HA 0.128 4.477 4.350 -0.001 0.000 0.264 159 E C -2.077 174.522 176.600 -0.002 0.000 1.024 159 E CA -1.720 54.676 56.400 -0.005 0.000 0.903 159 E CB 0.419 30.112 29.700 -0.013 0.000 0.963 159 E HN 0.367 nan 8.360 nan 0.000 0.432 160 P HA 0.005 nan 4.420 nan 0.000 0.276 160 P C 0.147 177.449 177.300 0.004 0.000 1.243 160 P CA -0.260 62.842 63.100 0.002 0.000 0.768 160 P CB 0.536 32.239 31.700 0.004 0.000 0.856 161 V N 1.726 121.641 119.914 0.003 0.000 2.999 161 V HA 0.718 4.837 4.120 -0.001 0.000 0.307 161 V C 0.501 176.597 176.094 0.004 0.000 1.084 161 V CA 0.539 62.841 62.300 0.003 0.000 1.155 161 V CB 0.069 31.893 31.823 0.002 0.000 0.975 161 V HN 0.891 nan 8.190 nan 0.000 0.490 162 G N 2.854 111.659 108.800 0.007 0.000 2.488 162 G HA2 0.617 4.577 3.960 -0.001 0.000 0.301 162 G HA3 0.617 4.577 3.960 -0.001 0.000 0.301 162 G C -3.506 171.409 174.900 0.024 0.000 1.339 162 G CA -0.573 44.536 45.100 0.014 0.000 0.803 162 G HN 0.752 nan 8.290 nan 0.000 0.482 163 P HA 0.497 nan 4.420 nan 0.000 0.286 163 P C -0.655 176.706 177.300 0.101 0.000 1.261 163 P CA -0.225 62.911 63.100 0.059 0.000 0.821 163 P CB 1.885 33.619 31.700 0.056 0.000 1.013 164 S N 1.710 117.486 115.700 0.126 0.000 2.503 164 S HA 0.625 5.094 4.470 -0.001 0.000 0.301 164 S C -0.989 173.775 174.600 0.272 0.000 1.087 164 S CA -0.320 58.010 58.200 0.218 0.000 1.042 164 S CB 0.559 63.856 63.200 0.162 0.000 1.043 164 S HN 0.428 nan 8.310 nan 0.000 0.489 165 F N 3.154 123.182 119.950 0.130 0.000 2.507 165 F HA 0.688 5.215 4.527 -0.001 0.000 0.325 165 F C -1.294 174.532 175.800 0.043 0.000 1.116 165 F CA -1.034 56.994 58.000 0.047 0.000 0.930 165 F CB 0.639 39.635 39.000 -0.007 0.000 1.146 165 F HN 0.425 nan 8.300 nan 0.000 0.447 166 I N 4.838 124.945 120.570 -0.772 0.000 2.418 166 I HA 0.273 4.442 4.170 -0.001 0.000 0.287 166 I C -0.405 175.076 176.117 -1.061 0.000 1.008 166 I CA -0.776 60.104 61.300 -0.700 0.000 1.104 166 I CB 1.858 39.698 38.000 -0.267 0.000 1.264 166 I HN 0.526 nan 8.210 nan 0.000 0.438 167 S N 7.080 122.274 115.700 -0.843 0.000 2.499 167 S HA 0.654 5.124 4.470 -0.001 0.000 0.279 167 S C -0.571 173.860 174.600 -0.282 0.000 1.219 167 S CA -0.446 57.443 58.200 -0.518 0.000 1.062 167 S CB 0.408 63.479 63.200 -0.215 0.000 0.978 167 S HN 0.483 nan 8.310 nan 0.000 0.489 168 L N 6.678 127.767 121.223 -0.222 0.000 2.417 168 L HA 0.393 4.733 4.340 -0.001 0.000 0.259 168 L C -2.456 174.371 176.870 -0.071 0.000 1.023 168 L CA -2.034 52.725 54.840 -0.134 0.000 0.901 168 L CB 1.583 43.566 42.059 -0.128 0.000 1.227 168 L HN 0.447 nan 8.230 nan 0.000 0.454 169 P HA -0.060 nan 4.420 nan 0.000 0.262 169 P C 1.291 178.586 177.300 -0.008 0.000 1.182 169 P CA -0.058 63.018 63.100 -0.040 0.000 0.761 169 P CB 0.861 32.533 31.700 -0.047 0.000 0.795 170 V N 1.730 121.646 119.914 0.004 0.000 2.392 170 V HA -0.282 3.838 4.120 -0.001 0.000 0.249 170 V C 1.700 177.814 176.094 0.034 0.000 1.059 170 V CA 2.305 64.624 62.300 0.032 0.000 1.051 170 V CB -1.358 30.489 31.823 0.041 0.000 0.658 170 V HN 0.503 nan 8.190 nan 0.000 0.455 171 D N 1.056 121.476 120.400 0.034 0.000 2.117 171 D HA -0.199 4.441 4.640 -0.001 0.000 0.197 171 D C 2.080 178.405 176.300 0.042 0.000 0.987 171 D CA 1.837 55.869 54.000 0.053 0.000 0.829 171 D CB -0.521 40.338 40.800 0.098 0.000 0.961 171 D HN 0.527 nan 8.370 nan 0.000 0.460 172 L N -0.435 120.807 121.223 0.032 0.000 2.109 172 L HA -0.043 4.296 4.340 -0.001 0.000 0.207 172 L C 2.656 179.542 176.870 0.028 0.000 1.086 172 L CA 0.219 55.075 54.840 0.027 0.000 0.760 172 L CB -0.436 41.631 42.059 0.013 0.000 0.910 172 L HN 0.027 nan 8.230 nan 0.000 0.437 173 L N 0.706 121.947 121.223 0.030 0.000 2.043 173 L HA -0.125 4.215 4.340 -0.001 0.000 0.212 173 L C 2.068 178.956 176.870 0.030 0.000 1.075 173 L CA 2.082 56.947 54.840 0.043 0.000 0.752 173 L CB -0.930 41.171 42.059 0.071 0.000 0.891 173 L HN 0.156 nan 8.230 nan 0.000 0.432 174 G N -1.637 107.177 108.800 0.024 0.000 3.181 174 G HA2 0.054 4.013 3.960 -0.001 0.000 0.219 174 G HA3 0.054 4.013 3.960 -0.001 0.000 0.219 174 G C 0.481 175.390 174.900 0.015 0.000 1.182 174 G CA 0.504 45.611 45.100 0.012 0.000 0.791 174 G HN 0.382 nan 8.290 nan 0.000 0.537 175 S N -0.155 115.559 115.700 0.023 0.000 2.578 175 S HA 0.429 4.899 4.470 -0.001 0.000 0.283 175 S C 1.360 175.974 174.600 0.024 0.000 1.195 175 S CA 0.174 58.388 58.200 0.023 0.000 1.050 175 S CB 1.450 64.669 63.200 0.031 0.000 1.012 175 S HN 0.303 nan 8.310 nan 0.000 0.511 176 S N 2.190 117.899 115.700 0.016 0.000 2.554 176 S HA 0.225 4.694 4.470 -0.001 0.000 0.226 176 S C 0.281 174.892 174.600 0.019 0.000 0.980 176 S CA -0.447 57.761 58.200 0.013 0.000 0.939 176 S CB -0.301 62.895 63.200 -0.008 0.000 0.832 176 S HN 0.834 nan 8.310 nan 0.000 0.486 177 E N 1.405 121.622 120.200 0.028 0.000 2.493 177 E HA 0.317 4.667 4.350 -0.001 0.000 0.255 177 E C 1.201 177.829 176.600 0.048 0.000 0.999 177 E CA 0.893 57.311 56.400 0.030 0.000 0.934 177 E CB -0.441 29.282 29.700 0.038 0.000 0.940 177 E HN 0.600 nan 8.360 nan 0.000 0.473 178 G N 4.259 113.054 108.800 -0.008 0.000 2.179 178 G HA2 -0.289 3.671 3.960 -0.001 0.000 0.260 178 G HA3 -0.289 3.671 3.960 -0.001 0.000 0.260 178 G C 0.216 175.090 174.900 -0.043 0.000 0.977 178 G CA 0.245 45.292 45.100 -0.090 0.000 0.641 178 G HN 0.574 nan 8.290 nan 0.000 0.533 179 I N 1.455 122.036 120.570 0.017 0.000 2.304 179 I HA 0.415 4.584 4.170 -0.001 0.000 0.291 179 I C -0.596 175.520 176.117 -0.002 0.000 1.018 179 I CA -0.522 60.799 61.300 0.035 0.000 1.260 179 I CB 1.496 39.526 38.000 0.051 0.000 1.390 179 I HN 0.029 nan 8.210 nan 0.000 0.475 180 D N 4.505 124.904 120.400 -0.001 0.000 2.440 180 D HA 0.152 4.791 4.640 -0.001 0.000 0.252 180 D C 0.775 177.074 176.300 -0.002 0.000 1.180 180 D CA -0.436 53.556 54.000 -0.014 0.000 0.894 180 D CB 1.297 42.084 40.800 -0.020 0.000 1.111 180 D HN 0.568 nan 8.370 nan 0.000 0.544 181 T N -0.591 113.953 114.554 -0.017 0.000 3.144 181 T HA -0.022 4.328 4.350 -0.001 0.000 0.249 181 T C 1.547 176.247 174.700 -0.000 0.000 1.089 181 T CA 0.692 62.792 62.100 -0.001 0.000 0.989 181 T CB -0.197 68.656 68.868 -0.025 0.000 0.992 181 T HN 0.327 nan 8.240 nan 0.000 0.540 182 T N -0.206 114.342 114.554 -0.009 0.000 2.985 182 T HA 0.123 4.473 4.350 -0.001 0.000 0.266 182 T C 0.773 175.475 174.700 0.002 0.000 1.076 182 T CA 0.021 62.118 62.100 -0.005 0.000 1.135 182 T CB -0.673 68.188 68.868 -0.011 0.000 0.890 182 T HN 0.247 nan 8.240 nan 0.000 0.480 183 V N 5.322 125.238 119.914 0.004 0.000 2.439 183 V HA 0.298 4.418 4.120 -0.001 0.000 0.271 183 V C -1.839 174.266 176.094 0.018 0.000 1.040 183 V CA -1.952 60.353 62.300 0.009 0.000 1.002 183 V CB 0.257 32.085 31.823 0.008 0.000 1.000 183 V HN 0.438 nan 8.190 nan 0.000 0.477 184 P HA 0.170 nan 4.420 nan 0.000 0.271 184 P C -0.366 176.946 177.300 0.020 0.000 1.218 184 P CA -0.556 62.556 63.100 0.019 0.000 0.780 184 P CB 0.602 32.310 31.700 0.012 0.000 0.901 185 N N 2.427 121.140 118.700 0.022 0.000 2.454 185 N HA 0.117 4.857 4.740 -0.001 0.000 0.254 185 N C -1.711 173.802 175.510 0.006 0.000 1.228 185 N CA -0.659 52.402 53.050 0.019 0.000 0.900 185 N CB -0.882 37.614 38.487 0.014 0.000 1.089 185 N HN 0.409 nan 8.380 nan 0.000 0.449 186 P HA 0.262 nan 4.420 nan 0.000 0.272 186 P C -2.504 174.786 177.300 -0.017 0.000 1.240 186 P CA -0.881 62.220 63.100 0.001 0.000 0.791 186 P CB -0.543 31.163 31.700 0.010 0.000 0.978 187 P HA 0.033 nan 4.420 nan 0.000 0.266 187 P C 0.638 177.900 177.300 -0.064 0.000 1.195 187 P CA 0.149 63.225 63.100 -0.040 0.000 0.768 187 P CB 0.199 31.885 31.700 -0.024 0.000 0.838 188 A N 3.451 126.191 122.820 -0.133 0.000 1.898 188 A HA -0.149 4.171 4.320 -0.001 0.000 0.216 188 A C 0.803 178.335 177.584 -0.086 0.000 1.181 188 A CA 1.273 53.157 52.037 -0.255 0.000 0.620 188 A CB -1.497 17.157 19.000 -0.577 0.000 0.819 188 A HN 0.791 nan 8.150 nan 0.000 0.442 189 N N -0.221 118.451 118.700 -0.047 0.000 2.725 189 N HA -0.122 4.618 4.740 -0.001 0.000 0.251 189 N C -0.812 174.731 175.510 0.056 0.000 1.031 189 N CA 0.438 53.494 53.050 0.009 0.000 0.720 189 N CB -1.568 36.929 38.487 0.018 0.000 0.930 189 N HN 0.456 nan 8.380 nan 0.000 0.543 190 T N 1.297 115.894 114.554 0.073 0.000 2.867 190 T HA 0.198 4.548 4.350 -0.001 0.000 0.297 190 T C -1.748 172.998 174.700 0.077 0.000 0.989 190 T CA -0.646 61.543 62.100 0.149 0.000 1.159 190 T CB 0.515 69.499 68.868 0.193 0.000 0.928 190 T HN 0.033 nan 8.240 nan 0.000 0.538 191 P HA 0.252 nan 4.420 nan 0.000 0.268 191 P C 0.375 177.697 177.300 0.036 0.000 1.205 191 P CA -0.330 62.792 63.100 0.037 0.000 0.771 191 P CB 0.490 32.204 31.700 0.023 0.000 0.858 192 A N 3.501 126.339 122.820 0.030 0.000 2.067 192 A HA -0.005 4.315 4.320 -0.001 0.000 0.217 192 A C 0.794 178.395 177.584 0.029 0.000 1.156 192 A CA 1.215 53.270 52.037 0.030 0.000 0.683 192 A CB -0.478 18.538 19.000 0.026 0.000 0.808 192 A HN 0.662 nan 8.150 nan 0.000 0.455 193 K N -1.626 118.789 120.400 0.024 0.000 2.522 193 K HA 0.564 4.883 4.320 -0.001 0.000 0.275 193 K C -3.471 173.138 176.600 0.016 0.000 1.006 193 K CA -2.128 54.173 56.287 0.023 0.000 0.890 193 K CB 0.775 33.288 32.500 0.022 0.000 1.475 193 K HN -0.232 nan 8.250 nan 0.000 0.441 194 P HA 0.006 nan 4.420 nan 0.000 0.265 194 P C -0.452 176.846 177.300 -0.003 0.000 1.193 194 P CA -0.427 62.675 63.100 0.005 0.000 0.765 194 P CB 0.501 32.205 31.700 0.006 0.000 0.823 195 V N 3.174 123.084 119.914 -0.005 0.000 2.740 195 V HA 0.395 4.514 4.120 -0.001 0.000 0.303 195 V C 1.194 177.277 176.094 -0.018 0.000 1.054 195 V CA 0.819 63.113 62.300 -0.010 0.000 1.106 195 V CB 0.423 32.242 31.823 -0.007 0.000 0.957 195 V HN 0.818 nan 8.190 nan 0.000 0.486 196 G N 2.397 111.180 108.800 -0.029 0.000 2.630 196 G HA2 0.650 4.610 3.960 -0.001 0.000 0.296 196 G HA3 0.650 4.610 3.960 -0.001 0.000 0.296 196 G C -0.828 174.045 174.900 -0.045 0.000 1.285 196 G CA -0.391 44.684 45.100 -0.043 0.000 0.958 196 G HN 0.946 nan 8.290 nan 0.000 0.479 197 V N -1.008 118.876 119.914 -0.050 0.000 2.617 197 V HA 0.832 4.952 4.120 -0.001 0.000 0.298 197 V C -0.744 175.305 176.094 -0.075 0.000 1.048 197 V CA -0.614 61.659 62.300 -0.044 0.000 0.964 197 V CB 1.482 33.290 31.823 -0.025 0.000 1.004 197 V HN 0.585 nan 8.190 nan 0.000 0.466 198 V N 5.051 124.933 119.914 -0.054 0.000 2.567 198 V HA 0.732 4.852 4.120 -0.001 0.000 0.298 198 V C 0.431 176.541 176.094 0.026 0.000 1.047 198 V CA -0.106 62.150 62.300 -0.074 0.000 0.880 198 V CB 1.271 33.043 31.823 -0.085 0.000 1.009 198 V HN 1.404 nan 8.190 nan 0.000 0.429 199 A N 2.972 125.827 122.820 0.058 0.000 2.388 199 A HA 0.508 4.827 4.320 -0.001 0.000 0.257 199 A C 0.060 177.765 177.584 0.202 0.000 1.095 199 A CA -0.154 51.948 52.037 0.108 0.000 0.791 199 A CB 0.273 19.326 19.000 0.088 0.000 1.029 199 A HN 0.941 nan 8.150 nan 0.000 0.489 200 D N 1.286 121.764 120.400 0.131 0.000 2.472 200 D HA 0.357 4.997 4.640 -0.001 0.000 0.237 200 D C 1.373 177.723 176.300 0.084 0.000 1.141 200 D CA 1.883 55.948 54.000 0.108 0.000 0.875 200 D CB 0.281 41.115 40.800 0.057 0.000 1.192 200 D HN 1.262 nan 8.370 nan 0.000 0.450 201 G N 3.494 112.303 108.800 0.015 0.000 2.143 201 G HA2 -0.278 3.681 3.960 -0.001 0.000 0.248 201 G HA3 -0.278 3.681 3.960 -0.001 0.000 0.248 201 G C 1.069 175.954 174.900 -0.026 0.000 0.991 201 G CA 0.557 45.628 45.100 -0.048 0.000 0.689 201 G HN 0.718 nan 8.290 nan 0.000 0.522 202 W N 0.068 121.348 121.300 -0.033 0.000 2.374 202 W HA -0.115 4.545 4.660 -0.001 0.000 0.288 202 W C 1.454 177.931 176.519 -0.071 0.000 1.218 202 W CA 1.436 58.759 57.345 -0.036 0.000 1.245 202 W CB -0.693 28.750 29.460 -0.027 0.000 1.126 202 W HN 0.399 nan 8.180 nan 0.000 0.545 203 Q N 1.406 120.623 119.800 -0.971 0.000 2.124 203 Q HA -0.169 4.170 4.340 -0.001 0.000 0.202 203 Q C 2.310 178.082 176.000 -0.379 0.000 0.977 203 Q CA 2.431 57.568 55.803 -1.109 0.000 0.850 203 Q CB -0.577 27.453 28.738 -1.180 0.000 0.901 203 Q HN 0.369 nan 8.270 nan 0.000 0.429 204 K N 0.129 120.404 120.400 -0.208 0.000 2.057 204 K HA -0.078 4.241 4.320 -0.001 0.000 0.206 204 K C 1.968 178.585 176.600 0.028 0.000 1.050 204 K CA 1.099 57.353 56.287 -0.054 0.000 0.935 204 K CB -0.155 32.317 32.500 -0.046 0.000 0.715 204 K HN 0.209 nan 8.250 nan 0.000 0.439 205 A N 1.081 123.930 122.820 0.050 0.000 1.902 205 A HA -0.087 4.232 4.320 -0.001 0.000 0.217 205 A C 2.313 180.019 177.584 0.203 0.000 1.181 205 A CA 1.780 53.884 52.037 0.112 0.000 0.623 205 A CB -0.756 18.312 19.000 0.115 0.000 0.818 205 A HN 0.473 nan 8.150 nan 0.000 0.443 206 A N 0.040 123.028 122.820 0.280 0.000 1.933 206 A HA -0.176 4.144 4.320 -0.001 0.000 0.218 206 A C 1.726 179.584 177.584 0.457 0.000 1.175 206 A CA 1.855 54.200 52.037 0.513 0.000 0.628 206 A CB -0.537 18.824 19.000 0.602 0.000 0.814 206 A HN 0.461 nan 8.150 nan 0.000 0.444 207 D N -0.305 120.264 120.400 0.281 0.000 2.144 207 D HA -0.141 4.499 4.640 -0.001 0.000 0.199 207 D C 2.153 178.556 176.300 0.172 0.000 0.984 207 D CA 1.372 55.488 54.000 0.193 0.000 0.834 207 D CB -0.410 40.464 40.800 0.123 0.000 0.955 207 D HN 0.635 nan 8.370 nan 0.000 0.465 208 Q N 0.282 120.179 119.800 0.162 0.000 2.124 208 Q HA -0.047 4.293 4.340 -0.001 0.000 0.202 208 Q C 2.193 178.306 176.000 0.187 0.000 0.977 208 Q CA 1.302 57.189 55.803 0.139 0.000 0.850 208 Q CB -0.077 28.721 28.738 0.100 0.000 0.901 208 Q HN 0.221 nan 8.270 nan 0.000 0.429 209 A N 1.139 124.121 122.820 0.271 0.000 1.898 209 A HA -0.101 4.219 4.320 -0.001 0.000 0.216 209 A C 2.306 180.174 177.584 0.473 0.000 1.181 209 A CA 1.502 53.754 52.037 0.358 0.000 0.620 209 A CB -0.741 18.518 19.000 0.433 0.000 0.819 209 A HN 0.390 nan 8.150 nan 0.000 0.442 210 A N -0.104 122.985 122.820 0.447 0.000 1.933 210 A HA 0.158 4.478 4.320 -0.001 0.000 0.218 210 A C 2.474 180.217 177.584 0.265 0.000 1.175 210 A CA 2.028 54.158 52.037 0.154 0.000 0.628 210 A CB -0.946 17.922 19.000 -0.220 0.000 0.814 210 A HN 1.051 nan 8.150 nan 0.000 0.444 211 A N -0.357 122.590 122.820 0.212 0.000 1.972 211 A HA 0.005 4.324 4.320 -0.001 0.000 0.219 211 A C 2.146 179.816 177.584 0.144 0.000 1.169 211 A CA 1.397 53.535 52.037 0.167 0.000 0.635 211 A CB -0.515 18.553 19.000 0.113 0.000 0.810 211 A HN 0.478 nan 8.150 nan 0.000 0.446 212 L N -1.163 120.157 121.223 0.162 0.000 2.056 212 L HA -0.137 4.202 4.340 -0.001 0.000 0.207 212 L C 2.537 179.496 176.870 0.148 0.000 1.078 212 L CA 1.104 56.023 54.840 0.131 0.000 0.749 212 L CB -0.531 41.603 42.059 0.125 0.000 0.901 212 L HN 0.471 nan 8.230 nan 0.000 0.433 213 L N 0.432 121.797 121.223 0.237 0.000 2.042 213 L HA -0.162 4.177 4.340 -0.001 0.000 0.210 213 L C 2.656 179.642 176.870 0.193 0.000 1.076 213 L CA 1.964 56.965 54.840 0.268 0.000 0.749 213 L CB -0.723 41.587 42.059 0.419 0.000 0.893 213 L HN 0.151 nan 8.230 nan 0.000 0.432 214 A N -0.684 122.242 122.820 0.176 0.000 1.917 214 A HA -0.273 4.047 4.320 -0.001 0.000 0.219 214 A C 2.175 179.680 177.584 -0.132 0.000 1.182 214 A CA 2.189 54.125 52.037 -0.168 0.000 0.633 214 A CB -0.674 18.203 19.000 -0.203 0.000 0.819 214 A HN 0.656 nan 8.150 nan 0.000 0.448 215 E N -0.535 119.643 120.200 -0.037 0.000 2.442 215 E HA 0.303 4.653 4.350 -0.001 0.000 0.195 215 E C 0.683 177.267 176.600 -0.026 0.000 1.030 215 E CA 0.064 56.442 56.400 -0.037 0.000 0.869 215 E CB 0.003 29.695 29.700 -0.013 0.000 0.857 215 E HN 0.605 nan 8.360 nan 0.000 0.505 216 A N 1.469 124.288 122.820 -0.002 0.000 2.388 216 A HA 0.101 4.421 4.320 -0.001 0.000 0.257 216 A C 0.985 178.541 177.584 -0.046 0.000 1.095 216 A CA -0.145 51.892 52.037 -0.001 0.000 0.791 216 A CB 0.830 19.857 19.000 0.045 0.000 1.029 216 A HN 0.044 nan 8.150 nan 0.000 0.489 217 K N 0.312 120.654 120.400 -0.097 0.000 2.099 217 K HA 0.002 4.321 4.320 -0.001 0.000 0.203 217 K C -0.273 176.133 176.600 -0.323 0.000 1.047 217 K CA 0.765 56.901 56.287 -0.252 0.000 0.963 217 K CB 0.021 32.313 32.500 -0.347 0.000 0.759 217 K HN 0.823 nan 8.250 nan 0.000 0.451 218 H N 1.531 120.616 119.070 0.026 0.000 2.423 218 H HA 0.320 4.876 4.556 -0.001 0.000 0.237 218 H C -2.535 172.797 175.328 0.006 0.000 1.391 218 H CA -2.498 53.565 56.048 0.025 0.000 1.453 218 H CB 1.133 30.876 29.762 -0.031 0.000 1.484 218 H HN 0.272 nan 8.280 nan 0.000 0.505 219 P HA 0.149 nan 4.420 nan 0.000 0.276 219 P C -0.019 177.330 177.300 0.083 0.000 1.244 219 P CA -0.423 62.734 63.100 0.095 0.000 0.801 219 P CB 2.059 33.826 31.700 0.111 0.000 1.006 220 V N -0.928 119.017 119.914 0.051 0.000 3.007 220 V HA 0.566 4.686 4.120 -0.001 0.000 0.311 220 V C -0.751 175.346 176.094 0.006 0.000 1.120 220 V CA -1.170 61.150 62.300 0.034 0.000 0.980 220 V CB 1.782 33.656 31.823 0.084 0.000 1.033 220 V HN 0.250 nan 8.190 nan 0.000 0.429 221 L N 3.275 124.495 121.223 -0.005 0.000 2.272 221 L HA 0.632 4.972 4.340 -0.001 0.000 0.289 221 L C -0.492 176.380 176.870 0.004 0.000 1.032 221 L CA -0.678 54.155 54.840 -0.012 0.000 0.810 221 L CB 1.736 43.792 42.059 -0.005 0.000 1.205 221 L HN 0.555 nan 8.230 nan 0.000 0.422 222 V N 5.018 124.927 119.914 -0.008 0.000 2.311 222 V HA 0.296 4.415 4.120 -0.001 0.000 0.275 222 V C 0.066 176.187 176.094 0.045 0.000 1.022 222 V CA -0.525 61.800 62.300 0.042 0.000 0.830 222 V CB 1.702 33.534 31.823 0.016 0.000 1.012 222 V HN 0.415 nan 8.190 nan 0.000 0.452 223 V N 4.635 124.581 119.914 0.054 0.000 2.427 223 V HA 0.797 4.916 4.120 -0.001 0.000 0.286 223 V C 0.789 176.914 176.094 0.051 0.000 1.034 223 V CA -0.140 62.183 62.300 0.038 0.000 0.893 223 V CB 1.500 33.331 31.823 0.014 0.000 0.982 223 V HN 0.865 nan 8.190 nan 0.000 0.452 224 G N 2.113 110.938 108.800 0.041 0.000 2.597 224 G HA2 0.576 4.536 3.960 -0.001 0.000 0.317 224 G HA3 0.576 4.536 3.960 -0.001 0.000 0.317 224 G C 0.883 175.804 174.900 0.035 0.000 1.230 224 G CA -0.031 45.087 45.100 0.031 0.000 0.996 224 G HN 0.887 nan 8.290 nan 0.000 0.490 225 A N -0.263 122.594 122.820 0.062 0.000 1.948 225 A HA 0.087 4.407 4.320 -0.001 0.000 0.220 225 A C 2.677 180.321 177.584 0.100 0.000 1.177 225 A CA 2.698 54.814 52.037 0.132 0.000 0.636 225 A CB -0.832 18.287 19.000 0.198 0.000 0.815 225 A HN 1.446 nan 8.150 nan 0.000 0.449 226 A N -0.264 122.586 122.820 0.051 0.000 1.978 226 A HA 0.118 4.438 4.320 -0.001 0.000 0.220 226 A C 2.432 180.029 177.584 0.023 0.000 1.170 226 A CA 2.032 54.090 52.037 0.034 0.000 0.636 226 A CB -0.858 18.147 19.000 0.009 0.000 0.810 226 A HN 1.103 nan 8.150 nan 0.000 0.448 227 A N -0.077 122.750 122.820 0.013 0.000 1.969 227 A HA -0.029 4.290 4.320 -0.001 0.000 0.218 227 A C 2.062 179.638 177.584 -0.013 0.000 1.169 227 A CA 1.420 53.457 52.037 0.000 0.000 0.635 227 A CB -0.522 18.476 19.000 -0.003 0.000 0.810 227 A HN 0.527 nan 8.150 nan 0.000 0.445 228 I N -1.113 119.439 120.570 -0.029 0.000 2.286 228 I HA -0.206 3.963 4.170 -0.001 0.000 0.245 228 I C 2.677 178.800 176.117 0.011 0.000 1.104 228 I CA 0.968 62.218 61.300 -0.082 0.000 1.397 228 I CB -0.402 37.424 38.000 -0.291 0.000 1.072 228 I HN 0.255 nan 8.210 nan 0.000 0.417 229 R N 0.291 120.840 120.500 0.082 0.000 2.105 229 R HA -0.154 4.186 4.340 -0.001 0.000 0.239 229 R C 2.429 178.758 176.300 0.048 0.000 1.135 229 R CA 1.625 57.782 56.100 0.095 0.000 0.967 229 R CB -0.478 29.876 30.300 0.091 0.000 0.861 229 R HN 0.231 nan 8.270 nan 0.000 0.442 230 S N -0.414 115.302 115.700 0.026 0.000 2.547 230 S HA -0.021 4.449 4.470 -0.001 0.000 0.235 230 S C 1.110 175.718 174.600 0.012 0.000 0.980 230 S CA 0.892 59.099 58.200 0.012 0.000 0.941 230 S CB -0.127 63.074 63.200 0.001 0.000 0.763 230 S HN 0.645 nan 8.310 nan 0.000 0.532 231 G N 0.138 108.944 108.800 0.011 0.000 2.182 231 G HA2 -0.191 3.769 3.960 -0.001 0.000 0.248 231 G HA3 -0.191 3.769 3.960 -0.001 0.000 0.248 231 G C 0.474 175.374 174.900 0.000 0.000 1.042 231 G CA 0.206 45.309 45.100 0.005 0.000 0.775 231 G HN 0.957 nan 8.290 nan 0.000 0.501 232 A N -0.985 121.833 122.820 -0.004 0.000 2.308 232 A HA 0.622 4.942 4.320 -0.001 0.000 0.217 232 A C 2.202 179.782 177.584 -0.008 0.000 1.216 232 A CA 1.390 53.429 52.037 0.004 0.000 0.864 232 A CB 0.160 19.171 19.000 0.020 0.000 0.902 232 A HN 0.916 nan 8.150 nan 0.000 0.499 233 V N 1.110 121.006 119.914 -0.029 0.000 2.261 233 V HA -0.151 3.969 4.120 -0.001 0.000 0.246 233 V C -0.134 175.942 176.094 -0.030 0.000 1.047 233 V CA 2.630 64.903 62.300 -0.044 0.000 1.015 233 V CB -1.260 30.517 31.823 -0.077 0.000 0.642 233 V HN 0.389 nan 8.190 nan 0.000 0.446 234 P HA -0.126 nan 4.420 nan 0.000 0.218 234 P C 1.560 178.859 177.300 -0.002 0.000 1.148 234 P CA 1.872 64.966 63.100 -0.010 0.000 0.822 234 P CB -0.128 31.571 31.700 -0.003 0.000 0.784 235 A N -0.806 122.016 122.820 0.003 0.000 1.929 235 A HA -0.119 4.200 4.320 -0.001 0.000 0.216 235 A C 2.186 179.780 177.584 0.016 0.000 1.176 235 A CA 1.136 53.180 52.037 0.012 0.000 0.628 235 A CB -1.464 17.546 19.000 0.017 0.000 0.816 235 A HN 0.101 nan 8.150 nan 0.000 0.444 236 I N -0.869 119.708 120.570 0.012 0.000 2.226 236 I HA -0.252 3.918 4.170 -0.001 0.000 0.245 236 I C 2.700 178.816 176.117 -0.002 0.000 1.100 236 I CA 1.697 63.006 61.300 0.014 0.000 1.374 236 I CB -0.310 37.693 38.000 0.005 0.000 1.057 236 I HN 0.386 nan 8.210 nan 0.000 0.413 237 R N 1.368 121.854 120.500 -0.023 0.000 2.083 237 R HA -0.200 4.140 4.340 -0.001 0.000 0.237 237 R C 2.387 178.687 176.300 0.001 0.000 1.137 237 R CA 1.772 57.847 56.100 -0.041 0.000 0.951 237 R CB -0.316 29.950 30.300 -0.056 0.000 0.851 237 R HN 0.342 nan 8.270 nan 0.000 0.434 238 A N 1.121 123.950 122.820 0.013 0.000 1.908 238 A HA -0.178 4.142 4.320 -0.001 0.000 0.218 238 A C 2.073 179.676 177.584 0.032 0.000 1.181 238 A CA 1.418 53.471 52.037 0.026 0.000 0.627 238 A CB -0.634 18.377 19.000 0.019 0.000 0.818 238 A HN 0.421 nan 8.150 nan 0.000 0.445 239 L N -0.337 120.906 121.223 0.034 0.000 2.017 239 L HA -0.048 4.292 4.340 -0.001 0.000 0.208 239 L C 2.715 179.623 176.870 0.063 0.000 1.073 239 L CA 2.223 57.095 54.840 0.053 0.000 0.745 239 L CB -0.739 41.369 42.059 0.081 0.000 0.894 239 L HN 0.338 nan 8.230 nan 0.000 0.432 240 A N -0.695 122.154 122.820 0.049 0.000 1.883 240 A HA -0.251 4.068 4.320 -0.001 0.000 0.217 240 A C 2.157 179.778 177.584 0.062 0.000 1.186 240 A CA 1.989 54.052 52.037 0.042 0.000 0.624 240 A CB -0.719 18.280 19.000 -0.002 0.000 0.822 240 A HN 0.627 nan 8.150 nan 0.000 0.444 241 E N -0.951 119.292 120.200 0.072 0.000 2.077 241 E HA -0.207 4.143 4.350 -0.001 0.000 0.193 241 E C 2.319 178.963 176.600 0.074 0.000 0.989 241 E CA 1.204 57.665 56.400 0.101 0.000 0.800 241 E CB -0.184 29.587 29.700 0.119 0.000 0.746 241 E HN 0.615 nan 8.360 nan 0.000 0.452 242 R N 0.799 121.334 120.500 0.059 0.000 2.073 242 R HA -0.099 4.240 4.340 -0.001 0.000 0.234 242 R C 1.869 178.206 176.300 0.061 0.000 1.134 242 R CA 1.173 57.304 56.100 0.050 0.000 0.952 242 R CB -0.016 30.304 30.300 0.035 0.000 0.850 242 R HN 0.157 nan 8.270 nan 0.000 0.433 243 L N 0.369 121.637 121.223 0.074 0.000 2.607 243 L HA 0.140 4.480 4.340 -0.001 0.000 0.228 243 L C 0.177 177.100 176.870 0.088 0.000 1.123 243 L CA -0.202 54.693 54.840 0.093 0.000 0.890 243 L CB -0.062 42.070 42.059 0.122 0.000 1.103 243 L HN 0.317 nan 8.230 nan 0.000 0.468 244 N N 1.422 120.168 118.700 0.077 0.000 2.738 244 N HA -0.215 4.524 4.740 -0.001 0.000 0.249 244 N C -0.610 174.936 175.510 0.059 0.000 1.047 244 N CA 0.458 53.551 53.050 0.072 0.000 0.707 244 N CB -1.182 37.349 38.487 0.074 0.000 0.937 244 N HN 0.341 nan 8.380 nan 0.000 0.545 245 I N 0.504 121.101 120.570 0.044 0.000 2.321 245 I HA 0.358 4.527 4.170 -0.001 0.000 0.291 245 I C -1.892 174.177 176.117 -0.080 0.000 0.998 245 I CA -2.095 59.214 61.300 0.015 0.000 1.227 245 I CB 1.444 39.478 38.000 0.058 0.000 1.368 245 I HN 0.008 nan 8.210 nan 0.000 0.466 246 P HA 0.078 nan 4.420 nan 0.000 0.269 246 P C -0.809 176.327 177.300 -0.273 0.000 1.209 246 P CA -0.137 62.660 63.100 -0.506 0.000 0.776 246 P CB 0.700 31.687 31.700 -1.188 0.000 0.876 247 V N 4.983 124.772 119.914 -0.209 0.000 2.357 247 V HA 0.379 4.499 4.120 -0.001 0.000 0.284 247 V C 0.306 176.392 176.094 -0.014 0.000 1.018 247 V CA -0.319 61.934 62.300 -0.079 0.000 0.841 247 V CB 0.960 32.743 31.823 -0.067 0.000 0.991 247 V HN 0.406 nan 8.190 nan 0.000 0.437 248 I N 4.396 124.983 120.570 0.029 0.000 2.562 248 I HA 0.670 4.839 4.170 -0.001 0.000 0.301 248 I C 0.367 176.545 176.117 0.101 0.000 1.003 248 I CA -0.234 61.119 61.300 0.088 0.000 1.127 248 I CB 2.523 40.601 38.000 0.130 0.000 1.304 248 I HN 0.744 nan 8.210 nan 0.000 0.446 249 T N -0.019 114.604 114.554 0.115 0.000 2.916 249 T HA 0.555 4.904 4.350 -0.001 0.000 0.292 249 T C 0.010 174.803 174.700 0.156 0.000 1.064 249 T CA -0.735 61.434 62.100 0.115 0.000 1.011 249 T CB 1.685 70.608 68.868 0.091 0.000 1.152 249 T HN 0.668 nan 8.240 nan 0.000 0.510 250 T N -0.076 114.559 114.554 0.135 0.000 2.698 250 T HA 0.221 4.571 4.350 -0.001 0.000 0.295 250 T C 0.972 175.819 174.700 0.246 0.000 1.007 250 T CA -0.447 61.725 62.100 0.119 0.000 0.980 250 T CB -0.099 68.775 68.868 0.010 0.000 1.036 250 T HN 0.530 nan 8.240 nan 0.000 0.526 251 Y N 0.693 121.075 120.300 0.137 0.000 2.081 251 Y HA -0.073 4.477 4.550 -0.001 0.000 0.280 251 Y C 2.372 178.434 175.900 0.269 0.000 1.163 251 Y CA 1.193 59.413 58.100 0.200 0.000 1.135 251 Y CB -1.296 37.276 38.460 0.187 0.000 0.970 251 Y HN 0.709 nan 8.280 nan 0.000 0.498 252 I N -3.052 117.737 120.570 0.366 0.000 3.883 252 I HA 0.459 4.629 4.170 -0.001 0.000 0.326 252 I C 1.654 177.960 176.117 0.315 0.000 1.283 252 I CA 0.690 62.203 61.300 0.355 0.000 1.161 252 I CB -0.189 37.990 38.000 0.298 0.000 1.012 252 I HN -0.023 nan 8.210 nan 0.000 0.421 253 A N 0.983 123.924 122.820 0.201 0.000 2.278 253 A HA 0.224 4.544 4.320 -0.001 0.000 0.212 253 A C 0.860 178.491 177.584 0.078 0.000 1.213 253 A CA -0.250 51.839 52.037 0.085 0.000 0.840 253 A CB -0.430 18.603 19.000 0.055 0.000 0.866 253 A HN 0.367 nan 8.150 nan 0.000 0.489 254 K N -0.334 120.158 120.400 0.153 0.000 2.484 254 K HA 0.314 4.633 4.320 -0.001 0.000 0.280 254 K C 1.144 177.793 176.600 0.082 0.000 1.013 254 K CA 0.964 57.323 56.287 0.120 0.000 1.029 254 K CB 0.154 32.750 32.500 0.160 0.000 0.902 254 K HN 0.574 nan 8.250 nan 0.000 0.481 255 G N 0.855 109.677 108.800 0.036 0.000 2.179 255 G HA2 -0.295 3.665 3.960 -0.001 0.000 0.220 255 G HA3 -0.295 3.665 3.960 -0.001 0.000 0.220 255 G C 0.758 175.637 174.900 -0.035 0.000 0.990 255 G CA 0.126 45.234 45.100 0.013 0.000 0.646 255 G HN 0.512 nan 8.290 nan 0.000 0.517 256 V N -1.336 118.546 119.914 -0.053 0.000 2.469 256 V HA 0.291 4.411 4.120 -0.001 0.000 0.251 256 V C 1.339 177.380 176.094 -0.088 0.000 1.064 256 V CA 1.726 63.978 62.300 -0.079 0.000 1.066 256 V CB -0.451 31.327 31.823 -0.074 0.000 0.667 256 V HN 0.467 nan 8.190 nan 0.000 0.461 257 L N 0.461 121.631 121.223 -0.088 0.000 2.334 257 L HA 0.583 4.922 4.340 -0.001 0.000 0.273 257 L C -2.469 174.386 176.870 -0.025 0.000 1.013 257 L CA -2.266 52.497 54.840 -0.128 0.000 0.816 257 L CB 1.765 43.668 42.059 -0.261 0.000 1.278 257 L HN -0.033 nan 8.230 nan 0.000 0.431 258 P HA 0.008 nan 4.420 nan 0.000 0.268 258 P C -0.584 176.767 177.300 0.085 0.000 1.208 258 P CA -0.343 62.797 63.100 0.067 0.000 0.777 258 P CB 0.397 32.158 31.700 0.102 0.000 0.875 259 V N 1.925 121.876 119.914 0.062 0.000 2.599 259 V HA 0.285 4.405 4.120 -0.001 0.000 0.300 259 V C 1.700 177.834 176.094 0.067 0.000 1.034 259 V CA 1.774 64.108 62.300 0.058 0.000 1.115 259 V CB -0.428 31.421 31.823 0.042 0.000 0.934 259 V HN 1.049 nan 8.190 nan 0.000 0.485 260 G N 2.526 111.367 108.800 0.068 0.000 2.254 260 G HA2 -0.229 3.731 3.960 -0.001 0.000 0.225 260 G HA3 -0.229 3.731 3.960 -0.001 0.000 0.225 260 G C 0.377 175.318 174.900 0.068 0.000 1.003 260 G CA 0.180 45.311 45.100 0.052 0.000 0.622 260 G HN 0.883 nan 8.290 nan 0.000 0.507 261 H N 2.590 121.674 119.070 0.024 0.000 3.001 261 H HA 0.144 4.699 4.556 -0.001 0.000 0.334 261 H C 1.941 177.298 175.328 0.048 0.000 1.034 261 H CA 1.301 57.368 56.048 0.032 0.000 1.420 261 H CB 0.743 30.524 29.762 0.032 0.000 1.405 261 H HN 0.695 nan 8.280 nan 0.000 0.593 262 E N 4.288 124.501 120.200 0.022 0.000 2.274 262 E HA -0.093 4.257 4.350 -0.001 0.000 0.194 262 E C 1.096 177.872 176.600 0.293 0.000 0.996 262 E CA 0.672 57.138 56.400 0.110 0.000 0.840 262 E CB 0.092 29.799 29.700 0.012 0.000 0.772 262 E HN 0.593 nan 8.360 nan 0.000 0.491 263 L N 1.015 122.509 121.223 0.453 0.000 2.607 263 L HA 0.130 4.470 4.340 -0.001 0.000 0.228 263 L C 0.899 177.899 176.870 0.215 0.000 1.123 263 L CA -0.355 54.646 54.840 0.268 0.000 0.890 263 L CB -0.141 42.015 42.059 0.161 0.000 1.103 263 L HN 0.056 nan 8.230 nan 0.000 0.468 264 N N 0.168 119.033 118.700 0.275 0.000 2.448 264 N HA -0.063 4.677 4.740 -0.001 0.000 0.250 264 N C 0.104 175.776 175.510 0.270 0.000 1.136 264 N CA 0.095 53.254 53.050 0.181 0.000 0.953 264 N CB 0.321 38.883 38.487 0.125 0.000 1.251 264 N HN 0.025 nan 8.380 nan 0.000 0.502 265 Y N 2.078 122.356 120.300 -0.037 0.000 2.461 265 Y HA 0.314 4.864 4.550 -0.001 0.000 0.277 265 Y C 1.581 177.433 175.900 -0.080 0.000 1.182 265 Y CA 0.175 58.230 58.100 -0.076 0.000 1.276 265 Y CB -0.227 38.171 38.460 -0.104 0.000 1.087 265 Y HN 0.667 nan 8.280 nan 0.000 0.519 266 G N 0.033 108.876 108.800 0.072 0.000 2.661 266 G HA2 0.176 4.136 3.960 -0.001 0.000 0.685 266 G HA3 0.176 4.136 3.960 -0.001 0.000 0.685 266 G C -0.668 174.250 174.900 0.031 0.000 1.298 266 G CA -0.749 44.352 45.100 0.003 0.000 0.855 266 G HN 0.490 nan 8.290 nan 0.000 0.560 267 A N -0.870 121.957 122.820 0.011 0.000 2.282 267 A HA 0.851 5.171 4.320 -0.001 0.000 0.319 267 A C 0.286 177.931 177.584 0.101 0.000 1.121 267 A CA -0.047 52.039 52.037 0.080 0.000 0.836 267 A CB 1.594 20.648 19.000 0.090 0.000 1.146 267 A HN 1.885 nan 8.150 nan 0.000 0.494 268 V N 0.922 120.957 119.914 0.203 0.000 2.472 268 V HA 0.646 4.766 4.120 -0.001 0.000 0.290 268 V C 0.448 176.739 176.094 0.328 0.000 1.037 268 V CA -0.030 62.415 62.300 0.241 0.000 0.908 268 V CB 1.529 33.546 31.823 0.322 0.000 0.985 268 V HN 1.038 nan 8.190 nan 0.000 0.454 269 T N 2.452 117.170 114.554 0.272 0.000 2.893 269 T HA 0.504 4.853 4.350 -0.001 0.000 0.293 269 T C 1.144 175.992 174.700 0.247 0.000 1.027 269 T CA 0.217 62.545 62.100 0.380 0.000 0.988 269 T CB 1.695 70.769 68.868 0.343 0.000 1.043 269 T HN 0.815 nan 8.240 nan 0.000 0.461 270 G N 1.518 110.450 108.800 0.220 0.000 2.535 270 G HA2 -0.100 3.859 3.960 -0.001 0.000 0.218 270 G HA3 -0.100 3.859 3.960 -0.001 0.000 0.218 270 G C 0.585 175.460 174.900 -0.042 0.000 1.122 270 G CA 0.662 45.779 45.100 0.029 0.000 0.769 270 G HN 0.801 nan 8.290 nan 0.000 0.549 271 Y N 0.326 120.631 120.300 0.008 0.000 2.466 271 Y HA 0.191 4.741 4.550 -0.001 0.000 0.272 271 Y C 2.763 178.696 175.900 0.055 0.000 1.169 271 Y CA 0.321 58.494 58.100 0.121 0.000 1.285 271 Y CB -0.131 38.314 38.460 -0.026 0.000 1.078 271 Y HN 0.261 nan 8.280 nan 0.000 0.523 272 M N -1.239 118.416 119.600 0.093 0.000 2.117 272 M HA -0.133 4.347 4.480 -0.001 0.000 0.262 272 M C 0.917 177.170 176.300 -0.078 0.000 1.065 272 M CA 2.008 57.282 55.300 -0.045 0.000 1.114 272 M CB -0.378 32.186 32.600 -0.061 0.000 1.361 272 M HN -0.058 nan 8.290 nan 0.000 0.408 273 D N 1.319 121.685 120.400 -0.057 0.000 2.097 273 D HA -0.049 4.590 4.640 -0.001 0.000 0.195 273 D C 2.319 178.497 176.300 -0.203 0.000 0.989 273 D CA 1.891 55.843 54.000 -0.080 0.000 0.827 273 D CB -0.725 40.028 40.800 -0.079 0.000 0.966 273 D HN 0.601 nan 8.370 nan 0.000 0.456 274 G N 0.689 109.222 108.800 -0.445 0.000 2.421 274 G HA2 -0.218 3.742 3.960 -0.001 0.000 0.216 274 G HA3 -0.218 3.742 3.960 -0.001 0.000 0.216 274 G C 1.778 176.457 174.900 -0.368 0.000 1.171 274 G CA 0.409 44.903 45.100 -1.011 0.000 0.775 274 G HN 0.270 nan 8.290 nan 0.000 0.543 275 I N 0.164 120.706 120.570 -0.048 0.000 2.286 275 I HA -0.073 4.096 4.170 -0.001 0.000 0.248 275 I C 2.360 178.435 176.117 -0.070 0.000 1.115 275 I CA 0.813 62.124 61.300 0.020 0.000 1.392 275 I CB -0.038 37.793 38.000 -0.282 0.000 1.065 275 I HN 0.112 nan 8.210 nan 0.000 0.418 276 L N -0.240 120.893 121.223 -0.149 0.000 2.529 276 L HA 0.097 4.436 4.340 -0.001 0.000 0.223 276 L C 0.510 177.496 176.870 0.192 0.000 1.113 276 L CA -0.068 54.690 54.840 -0.137 0.000 0.861 276 L CB -0.371 41.548 42.059 -0.233 0.000 1.012 276 L HN 0.307 nan 8.230 nan 0.000 0.461 277 N N 0.827 119.605 118.700 0.131 0.000 2.669 277 N HA -0.301 4.439 4.740 -0.001 0.000 0.266 277 N C -0.872 174.764 175.510 0.209 0.000 1.024 277 N CA 0.528 53.656 53.050 0.130 0.000 0.766 277 N CB -0.941 37.639 38.487 0.155 0.000 0.898 277 N HN 0.280 nan 8.380 nan 0.000 0.548 278 F N 0.486 120.422 119.950 -0.024 0.000 2.650 278 F HA 0.438 4.965 4.527 -0.001 0.000 0.310 278 F C -2.237 173.540 175.800 -0.038 0.000 1.112 278 F CA -1.713 56.277 58.000 -0.017 0.000 0.986 278 F CB 1.702 40.694 39.000 -0.012 0.000 1.285 278 F HN -0.006 nan 8.300 nan 0.000 0.440 279 P HA 0.134 nan 4.420 nan 0.000 0.238 279 P C -0.043 177.248 177.300 -0.015 0.000 1.729 279 P CA 0.495 63.433 63.100 -0.271 0.000 1.055 279 P CB 0.277 31.751 31.700 -0.376 0.000 1.980 280 A N 2.283 125.244 122.820 0.235 0.000 1.897 280 A HA -0.095 4.225 4.320 -0.001 0.000 0.215 280 A C 2.128 179.803 177.584 0.152 0.000 1.181 280 A CA 0.972 53.187 52.037 0.298 0.000 0.620 280 A CB -1.008 18.095 19.000 0.171 0.000 0.821 280 A HN 0.334 nan 8.150 nan 0.000 0.443 281 L N -0.713 120.594 121.223 0.140 0.000 2.093 281 L HA -0.194 4.145 4.340 -0.001 0.000 0.208 281 L C 2.889 179.897 176.870 0.230 0.000 1.085 281 L CA 1.029 56.001 54.840 0.219 0.000 0.755 281 L CB -0.487 41.711 42.059 0.231 0.000 0.904 281 L HN 0.399 nan 8.230 nan 0.000 0.435 282 Q N -0.382 119.501 119.800 0.137 0.000 2.084 282 Q HA -0.164 4.175 4.340 -0.001 0.000 0.202 282 Q C 2.240 178.302 176.000 0.103 0.000 0.978 282 Q CA 2.086 57.955 55.803 0.109 0.000 0.844 282 Q CB -0.510 28.247 28.738 0.031 0.000 0.898 282 Q HN 0.509 nan 8.270 nan 0.000 0.426 283 T N 1.270 115.879 114.554 0.092 0.000 2.746 283 T HA -0.112 4.237 4.350 -0.001 0.000 0.267 283 T C 1.985 176.741 174.700 0.093 0.000 1.039 283 T CA 1.234 63.397 62.100 0.106 0.000 1.142 283 T CB -0.146 68.835 68.868 0.189 0.000 0.866 283 T HN 0.209 nan 8.240 nan 0.000 0.444 284 M N -0.387 119.215 119.600 0.004 0.000 2.132 284 M HA 0.039 4.518 4.480 -0.001 0.000 0.263 284 M C 1.289 177.453 176.300 -0.227 0.000 1.065 284 M CA 1.754 56.935 55.300 -0.198 0.000 1.122 284 M CB -0.101 32.145 32.600 -0.589 0.000 1.365 284 M HN 0.231 nan 8.290 nan 0.000 0.411 285 F N -1.719 118.332 119.950 0.168 0.000 2.752 285 F HA 0.371 4.898 4.527 -0.001 0.000 0.310 285 F C 2.157 177.976 175.800 0.032 0.000 1.097 285 F CA 0.125 58.184 58.000 0.098 0.000 1.238 285 F CB -0.773 38.318 39.000 0.151 0.000 1.061 285 F HN -0.034 nan 8.300 nan 0.000 0.591 286 A N 1.666 124.598 122.820 0.186 0.000 1.883 286 A HA -0.115 4.205 4.320 -0.001 0.000 0.217 286 A C -0.328 177.297 177.584 0.068 0.000 1.186 286 A CA 1.892 53.999 52.037 0.118 0.000 0.624 286 A CB -1.994 17.057 19.000 0.086 0.000 0.822 286 A HN 0.189 nan 8.150 nan 0.000 0.444 287 P HA 0.131 nan 4.420 nan 0.000 0.249 287 P C -0.039 177.256 177.300 -0.009 0.000 1.229 287 P CA 0.290 63.394 63.100 0.007 0.000 0.788 287 P CB -0.121 31.558 31.700 -0.034 0.000 1.072 288 V N 3.433 123.291 119.914 -0.095 0.000 2.572 288 V HA -0.003 4.117 4.120 -0.001 0.000 0.291 288 V C 1.515 177.638 176.094 0.048 0.000 1.039 288 V CA 0.751 63.023 62.300 -0.047 0.000 1.055 288 V CB 0.592 32.403 31.823 -0.020 0.000 0.969 288 V HN 0.168 nan 8.190 nan 0.000 0.482 289 D N 3.171 123.605 120.400 0.058 0.000 2.407 289 D HA 0.147 4.787 4.640 -0.001 0.000 0.208 289 D C -0.016 176.305 176.300 0.036 0.000 1.083 289 D CA -0.049 53.980 54.000 0.048 0.000 0.844 289 D CB 0.617 41.441 40.800 0.039 0.000 0.967 289 D HN 0.338 nan 8.370 nan 0.000 0.506 290 L N 0.928 122.168 121.223 0.029 0.000 2.516 290 L HA 0.444 4.784 4.340 -0.001 0.000 0.267 290 L C -1.770 175.079 176.870 -0.035 0.000 0.957 290 L CA -0.840 54.006 54.840 0.009 0.000 0.860 290 L CB 2.293 44.379 42.059 0.045 0.000 1.265 290 L HN -0.189 nan 8.230 nan 0.000 0.403 291 V N 6.183 126.018 119.914 -0.132 0.000 2.347 291 V HA 0.457 4.576 4.120 -0.001 0.000 0.280 291 V C -0.340 175.602 176.094 -0.253 0.000 1.021 291 V CA -0.436 61.700 62.300 -0.272 0.000 0.847 291 V CB 1.320 32.735 31.823 -0.681 0.000 0.990 291 V HN 0.553 nan 8.190 nan 0.000 0.444 292 L N 4.988 126.105 121.223 -0.177 0.000 2.262 292 L HA 0.457 4.796 4.340 -0.001 0.000 0.288 292 L C 0.791 177.545 176.870 -0.193 0.000 1.035 292 L CA -0.049 54.689 54.840 -0.170 0.000 0.820 292 L CB 1.465 43.455 42.059 -0.114 0.000 1.204 292 L HN 0.766 nan 8.230 nan 0.000 0.424 293 T N 0.395 114.821 114.554 -0.213 0.000 2.875 293 T HA 0.456 4.806 4.350 -0.001 0.000 0.307 293 T C -0.021 174.650 174.700 -0.048 0.000 1.013 293 T CA -0.697 61.331 62.100 -0.119 0.000 0.970 293 T CB 0.191 68.969 68.868 -0.149 0.000 0.986 293 T HN 0.158 nan 8.240 nan 0.000 0.536 294 V N 3.572 123.458 119.914 -0.046 0.000 2.353 294 V HA 0.589 4.708 4.120 -0.001 0.000 0.264 294 V C 1.380 177.467 176.094 -0.011 0.000 1.049 294 V CA 0.057 62.312 62.300 -0.075 0.000 0.896 294 V CB -0.018 31.778 31.823 -0.045 0.000 1.025 294 V HN 1.280 nan 8.190 nan 0.000 0.475 295 G N 4.001 112.788 108.800 -0.023 0.000 2.298 295 G HA2 -0.313 3.647 3.960 -0.001 0.000 0.287 295 G HA3 -0.313 3.647 3.960 -0.001 0.000 0.287 295 G C -0.223 174.717 174.900 0.067 0.000 1.075 295 G CA -0.072 45.034 45.100 0.011 0.000 0.960 295 G HN 0.881 nan 8.290 nan 0.000 0.502 296 Y N 0.915 121.219 120.300 0.005 0.000 2.610 296 Y HA 0.449 4.999 4.550 -0.001 0.000 0.332 296 Y C 0.254 176.206 175.900 0.087 0.000 1.201 296 Y CA 0.293 58.436 58.100 0.072 0.000 1.465 296 Y CB 1.070 39.627 38.460 0.162 0.000 1.283 296 Y HN 0.265 nan 8.280 nan 0.000 0.563 297 D N 4.855 124.834 120.400 -0.701 0.000 2.616 297 D HA 0.021 4.661 4.640 -0.001 0.000 0.238 297 D C -0.045 175.877 176.300 -0.631 0.000 1.354 297 D CA -0.511 53.214 54.000 -0.459 0.000 0.970 297 D CB 0.342 41.021 40.800 -0.201 0.000 1.369 297 D HN 0.570 nan 8.370 nan 0.000 0.585 298 Y N 3.658 123.627 120.300 -0.552 0.000 2.241 298 Y HA -0.183 4.367 4.550 -0.001 0.000 0.286 298 Y C 1.969 177.755 175.900 -0.190 0.000 1.166 298 Y CA 2.250 60.191 58.100 -0.264 0.000 1.203 298 Y CB -0.191 38.274 38.460 0.008 0.000 0.977 298 Y HN 0.543 nan 8.280 nan 0.000 0.529 299 A N -0.190 122.543 122.820 -0.145 0.000 2.070 299 A HA -0.184 4.136 4.320 -0.001 0.000 0.220 299 A C 2.020 179.461 177.584 -0.238 0.000 1.159 299 A CA 1.602 53.526 52.037 -0.188 0.000 0.656 299 A CB -0.624 18.318 19.000 -0.098 0.000 0.800 299 A HN 0.618 nan 8.150 nan 0.000 0.453 300 E N -1.247 118.794 120.200 -0.264 0.000 2.478 300 E HA -0.089 4.261 4.350 -0.001 0.000 0.198 300 E C 0.110 176.472 176.600 -0.396 0.000 1.046 300 E CA 0.427 56.643 56.400 -0.307 0.000 0.870 300 E CB -0.070 29.474 29.700 -0.261 0.000 0.818 300 E HN 0.545 nan 8.360 nan 0.000 0.527 301 D N -0.111 120.084 120.400 -0.342 0.000 2.945 301 D HA -0.200 4.440 4.640 -0.001 0.000 0.225 301 D C -0.866 175.332 176.300 -0.170 0.000 1.158 301 D CA 0.373 54.198 54.000 -0.292 0.000 0.805 301 D CB -1.128 39.541 40.800 -0.218 0.000 1.098 301 D HN 0.174 nan 8.370 nan 0.000 0.426 302 L N 1.032 122.196 121.223 -0.098 0.000 2.270 302 L HA 0.398 4.737 4.340 -0.001 0.000 0.286 302 L C 0.412 177.386 176.870 0.174 0.000 1.059 302 L CA -0.526 54.363 54.840 0.082 0.000 0.839 302 L CB 0.265 42.431 42.059 0.180 0.000 1.221 302 L HN -0.039 nan 8.230 nan 0.000 0.431 303 R N 4.834 125.346 120.500 0.020 0.000 2.540 303 R HA 0.341 4.680 4.340 -0.001 0.000 0.287 303 R C -1.747 174.211 176.300 -0.569 0.000 0.980 303 R CA -1.745 54.320 56.100 -0.059 0.000 0.966 303 R CB 1.039 31.314 30.300 -0.043 0.000 1.106 303 R HN 0.354 nan 8.270 nan 0.000 0.480 304 P HA -0.246 nan 4.420 nan 0.000 0.216 304 P C 1.185 177.674 177.300 -1.352 0.000 1.150 304 P CA 1.576 63.487 63.100 -1.982 0.000 0.843 304 P CB 0.158 31.163 31.700 -1.159 0.000 0.787 305 S N -1.447 113.849 115.700 -0.673 0.000 2.419 305 S HA -0.209 4.261 4.470 -0.001 0.000 0.235 305 S C 1.868 176.238 174.600 -0.382 0.000 1.019 305 S CA 1.436 59.381 58.200 -0.426 0.000 0.982 305 S CB -1.404 61.653 63.200 -0.239 0.000 0.789 305 S HN 0.102 nan 8.310 nan 0.000 0.490 306 M N 0.103 119.466 119.600 -0.396 0.000 2.319 306 M HA 0.085 4.565 4.480 -0.001 0.000 0.265 306 M C 1.866 178.017 176.300 -0.248 0.000 1.068 306 M CA 1.431 56.611 55.300 -0.201 0.000 1.118 306 M CB -0.365 32.200 32.600 -0.059 0.000 1.395 306 M HN 0.805 nan 8.290 nan 0.000 0.435 307 W N -0.349 120.641 121.300 -0.518 0.000 3.278 307 W HA 0.252 4.912 4.660 -0.001 0.000 0.308 307 W C 0.026 176.286 176.519 -0.432 0.000 1.253 307 W CA -0.372 56.380 57.345 -0.989 0.000 1.759 307 W CB -0.722 27.918 29.460 -1.367 0.000 1.093 307 W HN -0.008 nan 8.180 nan 0.000 0.648 308 Q N 2.505 122.145 119.800 -0.267 0.000 3.181 308 Q HA 0.150 4.490 4.340 -0.001 0.000 0.293 308 Q C -0.378 175.609 176.000 -0.020 0.000 1.406 308 Q CA 0.338 56.079 55.803 -0.104 0.000 1.026 308 Q CB 0.016 28.624 28.738 -0.217 0.000 1.630 308 Q HN -0.096 nan 8.270 nan 0.000 0.553 309 K N 0.344 120.785 120.400 0.068 0.000 2.378 309 K HA 0.594 4.914 4.320 -0.001 0.000 0.252 309 K C 0.432 177.092 176.600 0.100 0.000 0.931 309 K CA -0.054 56.287 56.287 0.091 0.000 0.794 309 K CB 2.025 34.622 32.500 0.163 0.000 1.181 309 K HN 0.467 nan 8.250 nan 0.000 0.425 310 G N 2.731 111.570 108.800 0.066 0.000 2.536 310 G HA2 -0.313 3.647 3.960 -0.001 0.000 0.280 310 G HA3 -0.313 3.647 3.960 -0.001 0.000 0.280 310 G C 0.208 175.141 174.900 0.054 0.000 1.152 310 G CA 0.105 45.241 45.100 0.060 0.000 0.970 310 G HN 0.761 nan 8.290 nan 0.000 0.549 311 I N 0.175 120.781 120.570 0.060 0.000 2.882 311 I HA 0.582 4.751 4.170 -0.001 0.000 0.286 311 I C 0.494 176.646 176.117 0.058 0.000 1.139 311 I CA -0.457 60.875 61.300 0.053 0.000 1.379 311 I CB 0.450 38.482 38.000 0.053 0.000 1.410 311 I HN 0.593 nan 8.210 nan 0.000 0.594 312 E N 3.519 123.748 120.200 0.048 0.000 2.414 312 E HA 0.121 4.471 4.350 -0.001 0.000 0.263 312 E C -0.870 175.765 176.600 0.059 0.000 1.000 312 E CA 0.146 56.576 56.400 0.051 0.000 0.914 312 E CB 0.645 30.368 29.700 0.038 0.000 0.948 312 E HN 0.461 nan 8.360 nan 0.000 0.444 313 K N 2.263 122.707 120.400 0.074 0.000 2.267 313 K HA 0.363 4.682 4.320 -0.001 0.000 0.246 313 K C -0.468 176.170 176.600 0.063 0.000 0.954 313 K CA -0.938 55.390 56.287 0.068 0.000 0.824 313 K CB 1.482 34.031 32.500 0.082 0.000 1.167 313 K HN 0.114 nan 8.250 nan 0.000 0.431 314 K N 1.292 121.717 120.400 0.042 0.000 2.098 314 K HA 0.355 4.675 4.320 -0.001 0.000 0.261 314 K C -0.325 176.284 176.600 0.015 0.000 0.987 314 K CA -0.422 55.888 56.287 0.038 0.000 0.916 314 K CB 1.710 34.231 32.500 0.036 0.000 1.039 314 K HN 0.850 nan 8.250 nan 0.000 0.455 315 T N -2.292 112.277 114.554 0.026 0.000 2.876 315 T HA 0.545 4.895 4.350 -0.001 0.000 0.289 315 T C -0.409 174.276 174.700 -0.025 0.000 1.014 315 T CA -0.850 61.244 62.100 -0.010 0.000 0.986 315 T CB 1.389 70.330 68.868 0.121 0.000 1.021 315 T HN 0.110 nan 8.240 nan 0.000 0.458 316 V N 2.756 122.626 119.914 -0.074 0.000 2.407 316 V HA 0.549 4.669 4.120 -0.001 0.000 0.291 316 V C 0.200 176.206 176.094 -0.147 0.000 1.018 316 V CA -0.956 61.283 62.300 -0.102 0.000 0.842 316 V CB 1.449 33.216 31.823 -0.093 0.000 0.996 316 V HN 0.958 nan 8.190 nan 0.000 0.426 317 R N 4.443 124.841 120.500 -0.170 0.000 2.265 317 R HA 0.691 5.031 4.340 -0.001 0.000 0.319 317 R C -1.426 174.736 176.300 -0.232 0.000 1.006 317 R CA -0.503 55.502 56.100 -0.157 0.000 0.880 317 R CB 0.896 31.055 30.300 -0.234 0.000 1.077 317 R HN 0.647 nan 8.270 nan 0.000 0.454 318 I N 2.643 123.058 120.570 -0.258 0.000 2.418 318 I HA 0.326 4.496 4.170 -0.001 0.000 0.287 318 I C -0.507 175.499 176.117 -0.185 0.000 1.008 318 I CA -0.074 61.000 61.300 -0.376 0.000 1.104 318 I CB 2.044 39.581 38.000 -0.771 0.000 1.264 318 I HN 0.518 nan 8.210 nan 0.000 0.438 319 S N 6.614 122.223 115.700 -0.152 0.000 2.542 319 S HA 0.511 4.981 4.470 -0.001 0.000 0.276 319 S C -2.657 171.885 174.600 -0.096 0.000 1.148 319 S CA -0.904 57.250 58.200 -0.077 0.000 0.886 319 S CB 1.951 65.151 63.200 0.001 0.000 1.109 319 S HN 0.375 nan 8.310 nan 0.000 0.458 320 P HA 0.186 nan 4.420 nan 0.000 0.259 320 P C -0.053 177.214 177.300 -0.055 0.000 1.480 320 P CA 0.171 63.219 63.100 -0.087 0.000 0.842 320 P CB -0.873 30.783 31.700 -0.073 0.000 1.513 321 T N -4.273 110.256 114.554 -0.041 0.000 2.868 321 T HA 0.397 4.747 4.350 -0.001 0.000 0.306 321 T C -0.339 174.349 174.700 -0.021 0.000 1.224 321 T CA -0.765 61.322 62.100 -0.022 0.000 1.012 321 T CB 1.235 70.101 68.868 -0.004 0.000 1.221 321 T HN -0.238 nan 8.240 nan 0.000 0.499 322 V N 2.648 122.553 119.914 -0.016 0.000 2.715 322 V HA 0.228 4.347 4.120 -0.001 0.000 0.299 322 V C 1.035 177.122 176.094 -0.012 0.000 1.054 322 V CA -0.630 61.659 62.300 -0.018 0.000 1.077 322 V CB 0.479 32.293 31.823 -0.014 0.000 0.972 322 V HN 1.000 nan 8.190 nan 0.000 0.484 323 N N 6.488 125.172 118.700 -0.027 0.000 2.417 323 N HA 0.041 4.780 4.740 -0.001 0.000 0.272 323 N C -1.126 174.377 175.510 -0.012 0.000 1.304 323 N CA -1.258 51.778 53.050 -0.023 0.000 0.906 323 N CB 0.922 39.359 38.487 -0.084 0.000 1.135 323 N HN 0.425 nan 8.380 nan 0.000 0.483 324 P HA 0.077 nan 4.420 nan 0.000 0.245 324 P C 0.257 177.548 177.300 -0.015 0.000 1.206 324 P CA 0.603 63.707 63.100 0.006 0.000 0.781 324 P CB -0.027 31.690 31.700 0.027 0.000 0.994 325 I N -3.716 116.833 120.570 -0.035 0.000 2.976 325 I HA 0.413 4.583 4.170 -0.001 0.000 0.328 325 I C -1.951 174.114 176.117 -0.086 0.000 1.396 325 I CA -2.507 58.737 61.300 -0.094 0.000 0.869 325 I CB 1.203 39.053 38.000 -0.250 0.000 2.156 325 I HN -0.336 nan 8.210 nan 0.000 0.595 326 P HA -0.177 nan 4.420 nan 0.000 0.225 326 P C 1.488 178.754 177.300 -0.056 0.000 1.148 326 P CA 1.091 64.151 63.100 -0.065 0.000 0.779 326 P CB 0.091 31.756 31.700 -0.058 0.000 0.780 327 R N 0.164 120.628 120.500 -0.061 0.000 2.120 327 R HA -0.060 4.279 4.340 -0.001 0.000 0.234 327 R C 1.588 177.849 176.300 -0.065 0.000 1.123 327 R CA 1.342 57.409 56.100 -0.055 0.000 0.975 327 R CB -0.159 30.111 30.300 -0.051 0.000 0.866 327 R HN 0.067 nan 8.270 nan 0.000 0.446 328 V N -1.238 118.617 119.914 -0.097 0.000 2.908 328 V HA 0.076 4.195 4.120 -0.001 0.000 0.240 328 V C -0.236 175.836 176.094 -0.036 0.000 1.117 328 V CA 0.272 62.499 62.300 -0.123 0.000 1.133 328 V CB 0.221 31.860 31.823 -0.307 0.000 0.857 328 V HN 0.174 nan 8.190 nan 0.000 0.478 329 Y N 2.049 122.242 120.300 -0.179 0.000 2.327 329 Y HA 0.587 5.137 4.550 -0.001 0.000 0.325 329 Y C -0.209 175.639 175.900 -0.088 0.000 0.999 329 Y CA -1.972 56.048 58.100 -0.132 0.000 1.195 329 Y CB 1.010 39.383 38.460 -0.145 0.000 1.132 329 Y HN 0.044 nan 8.280 nan 0.000 0.455 330 R N 7.416 127.935 120.500 0.031 0.000 2.396 330 R HA 0.320 4.660 4.340 -0.001 0.000 0.292 330 R C -2.595 173.605 176.300 -0.166 0.000 1.240 330 R CA -1.718 54.302 56.100 -0.133 0.000 1.270 330 R CB 0.913 31.181 30.300 -0.052 0.000 1.108 330 R HN 0.466 nan 8.270 nan 0.000 0.573 331 P HA -0.004 nan 4.420 nan 0.000 0.269 331 P C -0.095 177.128 177.300 -0.128 0.000 1.209 331 P CA -0.088 62.833 63.100 -0.297 0.000 0.776 331 P CB 1.126 32.514 31.700 -0.520 0.000 0.876 332 D N 0.333 120.706 120.400 -0.044 0.000 2.144 332 D HA -0.035 4.604 4.640 -0.001 0.000 0.199 332 D C 0.410 176.692 176.300 -0.030 0.000 0.984 332 D CA 1.408 55.396 54.000 -0.021 0.000 0.834 332 D CB 0.303 41.109 40.800 0.010 0.000 0.955 332 D HN 0.132 nan 8.370 nan 0.000 0.465 333 V N 1.018 120.905 119.914 -0.044 0.000 2.638 333 V HA 0.207 4.327 4.120 -0.001 0.000 0.306 333 V C -0.798 175.243 176.094 -0.088 0.000 1.052 333 V CA -0.894 61.385 62.300 -0.035 0.000 0.885 333 V CB 2.540 34.371 31.823 0.014 0.000 0.999 333 V HN -0.136 nan 8.190 nan 0.000 0.424 334 D N 3.187 123.539 120.400 -0.081 0.000 2.425 334 D HA 0.497 5.137 4.640 -0.001 0.000 0.240 334 D C -0.913 175.351 176.300 -0.061 0.000 1.080 334 D CA -0.158 53.774 54.000 -0.113 0.000 0.836 334 D CB 2.067 42.793 40.800 -0.124 0.000 1.125 334 D HN 0.269 nan 8.370 nan 0.000 0.525 335 V N 4.376 124.231 119.914 -0.097 0.000 2.293 335 V HA 0.254 4.374 4.120 -0.001 0.000 0.275 335 V C 0.261 176.298 176.094 -0.095 0.000 1.021 335 V CA -0.877 61.398 62.300 -0.043 0.000 0.815 335 V CB 1.344 33.111 31.823 -0.093 0.000 1.025 335 V HN 0.342 nan 8.190 nan 0.000 0.448 336 V N 4.740 124.629 119.914 -0.041 0.000 2.339 336 V HA 0.616 4.736 4.120 -0.001 0.000 0.261 336 V C 0.367 176.350 176.094 -0.184 0.000 1.058 336 V CA 0.469 62.716 62.300 -0.089 0.000 0.897 336 V CB 0.658 32.455 31.823 -0.044 0.000 1.052 336 V HN 0.993 nan 8.190 nan 0.000 0.480 337 T N 2.613 116.991 114.554 -0.293 0.000 2.686 337 T HA 0.206 4.555 4.350 -0.001 0.000 0.308 337 T C -1.513 172.968 174.700 -0.365 0.000 1.667 337 T CA -0.703 61.084 62.100 -0.523 0.000 0.987 337 T CB 1.667 69.802 68.868 -1.223 0.000 1.652 337 T HN 0.721 nan 8.240 nan 0.000 0.496 338 D N 1.035 121.216 120.400 -0.366 0.000 2.458 338 D HA 0.198 4.837 4.640 -0.001 0.000 0.243 338 D C 1.614 177.820 176.300 -0.156 0.000 1.146 338 D CA 0.244 54.120 54.000 -0.206 0.000 0.877 338 D CB 0.823 41.528 40.800 -0.159 0.000 1.176 338 D HN 0.269 nan 8.370 nan 0.000 0.461 339 V N 4.127 123.996 119.914 -0.074 0.000 2.282 339 V HA -0.250 3.869 4.120 -0.001 0.000 0.249 339 V C 2.260 178.395 176.094 0.069 0.000 1.057 339 V CA 1.541 63.843 62.300 0.004 0.000 1.032 339 V CB -0.773 31.052 31.823 0.003 0.000 0.645 339 V HN 0.617 nan 8.190 nan 0.000 0.447 340 L N 0.824 122.063 121.223 0.027 0.000 2.012 340 L HA -0.115 4.225 4.340 -0.001 0.000 0.210 340 L C 2.494 179.396 176.870 0.053 0.000 1.073 340 L CA 2.352 57.216 54.840 0.040 0.000 0.748 340 L CB -1.072 41.001 42.059 0.023 0.000 0.891 340 L HN 0.240 nan 8.230 nan 0.000 0.431 341 A N -0.824 122.004 122.820 0.014 0.000 1.917 341 A HA -0.310 4.010 4.320 -0.001 0.000 0.219 341 A C 2.294 179.965 177.584 0.144 0.000 1.182 341 A CA 2.053 54.115 52.037 0.042 0.000 0.633 341 A CB -1.278 17.653 19.000 -0.116 0.000 0.819 341 A HN 0.589 nan 8.150 nan 0.000 0.448 342 F N 0.991 120.883 119.950 -0.096 0.000 2.069 342 F HA -0.183 4.343 4.527 -0.001 0.000 0.298 342 F C 2.156 178.089 175.800 0.222 0.000 1.113 342 F CA 2.208 60.267 58.000 0.097 0.000 1.214 342 F CB -0.516 38.452 39.000 -0.053 0.000 0.978 342 F HN 0.023 nan 8.300 nan 0.000 0.474 343 V N 0.751 120.616 119.914 -0.082 0.000 2.407 343 V HA -0.280 3.840 4.120 -0.001 0.000 0.248 343 V C 2.265 178.323 176.094 -0.061 0.000 1.055 343 V CA 2.299 64.501 62.300 -0.163 0.000 1.049 343 V CB -0.844 30.992 31.823 0.022 0.000 0.662 343 V HN 0.395 nan 8.190 nan 0.000 0.455 344 E N -0.507 119.710 120.200 0.029 0.000 2.106 344 E HA -0.245 4.105 4.350 -0.001 0.000 0.192 344 E C 2.148 178.780 176.600 0.054 0.000 0.984 344 E CA 1.437 57.865 56.400 0.048 0.000 0.806 344 E CB -0.210 29.538 29.700 0.079 0.000 0.750 344 E HN 0.783 nan 8.360 nan 0.000 0.458 345 H N -0.298 118.801 119.070 0.049 0.000 2.357 345 H HA -0.119 4.437 4.556 -0.001 0.000 0.301 345 H C 1.734 177.025 175.328 -0.061 0.000 1.082 345 H CA 1.357 57.427 56.048 0.036 0.000 1.342 345 H CB -0.097 29.770 29.762 0.176 0.000 1.389 345 H HN 0.083 nan 8.280 nan 0.000 0.511 346 F N 1.308 121.083 119.950 -0.292 0.000 2.186 346 F HA -0.114 4.413 4.527 -0.001 0.000 0.299 346 F C 2.261 177.848 175.800 -0.354 0.000 1.090 346 F CA 1.265 59.015 58.000 -0.416 0.000 1.307 346 F CB -0.034 38.526 39.000 -0.734 0.000 1.019 346 F HN 0.208 nan 8.300 nan 0.000 0.489 347 E N -0.410 119.692 120.200 -0.163 0.000 2.085 347 E HA -0.177 4.173 4.350 -0.001 0.000 0.194 347 E C 2.215 178.652 176.600 -0.272 0.000 0.994 347 E CA 1.923 58.208 56.400 -0.192 0.000 0.801 347 E CB -0.702 28.942 29.700 -0.094 0.000 0.743 347 E HN 0.347 nan 8.360 nan 0.000 0.453 348 T N 1.054 115.441 114.554 -0.278 0.000 2.777 348 T HA -0.082 4.268 4.350 -0.001 0.000 0.266 348 T C 1.919 176.393 174.700 -0.376 0.000 1.040 348 T CA 1.424 63.349 62.100 -0.290 0.000 1.141 348 T CB -0.178 68.524 68.868 -0.277 0.000 0.868 348 T HN 0.255 nan 8.240 nan 0.000 0.444 349 A N 1.490 124.001 122.820 -0.515 0.000 2.067 349 A HA -0.032 4.288 4.320 -0.001 0.000 0.219 349 A C 2.306 179.455 177.584 -0.724 0.000 1.158 349 A CA 1.747 53.464 52.037 -0.534 0.000 0.661 349 A CB -0.654 18.035 19.000 -0.518 0.000 0.801 349 A HN 0.594 nan 8.150 nan 0.000 0.452 350 T N -4.542 109.471 114.554 -0.903 0.000 3.129 350 T HA 0.553 4.903 4.350 -0.001 0.000 0.267 350 T C 1.437 175.764 174.700 -0.622 0.000 1.018 350 T CA 0.744 62.040 62.100 -1.340 0.000 0.903 350 T CB 0.303 68.281 68.868 -1.484 0.000 1.067 350 T HN 0.404 nan 8.240 nan 0.000 0.549 351 A N 2.524 125.129 122.820 -0.358 0.000 1.940 351 A HA -0.074 4.245 4.320 -0.001 0.000 0.219 351 A C 2.584 180.140 177.584 -0.046 0.000 1.176 351 A CA 2.049 53.987 52.037 -0.165 0.000 0.631 351 A CB -1.055 17.865 19.000 -0.134 0.000 0.814 351 A HN 0.797 nan 8.150 nan 0.000 0.446 352 S N -1.416 114.297 115.700 0.022 0.000 2.522 352 S HA 0.173 4.643 4.470 -0.001 0.000 0.227 352 S C 0.290 175.037 174.600 0.245 0.000 0.986 352 S CA -0.385 57.887 58.200 0.121 0.000 0.929 352 S CB -0.471 62.795 63.200 0.111 0.000 0.769 352 S HN 0.152 nan 8.310 nan 0.000 0.529 353 F N 2.691 122.595 119.950 -0.077 0.000 2.506 353 F HA 0.624 5.151 4.527 -0.001 0.000 0.351 353 F C 1.380 177.156 175.800 -0.040 0.000 1.136 353 F CA -0.909 57.054 58.000 -0.063 0.000 1.298 353 F CB -0.082 38.869 39.000 -0.082 0.000 1.145 353 F HN 0.191 nan 8.300 nan 0.000 0.593 354 G N 0.129 108.999 108.800 0.116 0.000 2.705 354 G HA2 0.619 4.579 3.960 -0.001 0.000 0.299 354 G HA3 0.619 4.579 3.960 -0.001 0.000 0.299 354 G C -1.243 173.700 174.900 0.073 0.000 1.315 354 G CA -0.727 44.414 45.100 0.068 0.000 1.045 354 G HN 0.835 nan 8.290 nan 0.000 0.517 355 A N 0.332 123.185 122.820 0.055 0.000 2.401 355 A HA 0.544 4.864 4.320 -0.001 0.000 0.259 355 A C 0.583 178.198 177.584 0.052 0.000 1.103 355 A CA -0.356 51.718 52.037 0.061 0.000 0.789 355 A CB 0.338 19.370 19.000 0.055 0.000 1.035 355 A HN 0.441 nan 8.150 nan 0.000 0.491 356 K N 1.406 121.846 120.400 0.067 0.000 2.149 356 K HA 0.193 4.512 4.320 -0.001 0.000 0.245 356 K C -0.125 176.523 176.600 0.081 0.000 1.024 356 K CA -0.280 56.044 56.287 0.062 0.000 0.899 356 K CB 0.315 32.865 32.500 0.084 0.000 1.038 356 K HN 0.677 nan 8.250 nan 0.000 0.496 357 Q N 2.011 121.865 119.800 0.091 0.000 2.296 357 Q HA 0.132 4.471 4.340 -0.001 0.000 0.257 357 Q C 0.169 176.343 176.000 0.290 0.000 0.942 357 Q CA -0.101 55.794 55.803 0.153 0.000 0.939 357 Q CB 1.062 29.887 28.738 0.143 0.000 1.198 357 Q HN 0.474 nan 8.270 nan 0.000 0.429 358 R N 2.055 122.699 120.500 0.240 0.000 2.500 358 R HA 0.341 4.681 4.340 -0.001 0.000 0.275 358 R C 0.225 176.642 176.300 0.194 0.000 1.051 358 R CA -0.669 55.586 56.100 0.258 0.000 1.088 358 R CB 0.584 30.964 30.300 0.134 0.000 1.063 358 R HN 0.591 nan 8.270 nan 0.000 0.511 359 H N 0.127 119.144 119.070 -0.088 0.000 2.607 359 H HA 0.122 4.677 4.556 -0.001 0.000 0.367 359 H C -0.972 174.362 175.328 0.010 0.000 1.181 359 H CA -0.614 55.273 56.048 -0.268 0.000 1.402 359 H CB 0.801 30.257 29.762 -0.509 0.000 1.474 359 H HN 0.722 nan 8.280 nan 0.000 0.596 360 D N 2.105 122.463 120.400 -0.070 0.000 2.280 360 D HA 0.137 4.777 4.640 -0.001 0.000 0.243 360 D C 0.821 177.027 176.300 -0.157 0.000 1.129 360 D CA -0.520 53.418 54.000 -0.103 0.000 0.848 360 D CB 0.589 41.372 40.800 -0.029 0.000 1.107 360 D HN 0.717 nan 8.370 nan 0.000 0.471 361 I N 0.674 121.067 120.570 -0.296 0.000 3.947 361 I HA 0.215 4.384 4.170 -0.001 0.000 0.327 361 I C 1.094 177.079 176.117 -0.221 0.000 1.519 361 I CA -0.550 60.578 61.300 -0.288 0.000 1.122 361 I CB 0.622 38.309 38.000 -0.522 0.000 1.146 361 I HN 0.050 nan 8.210 nan 0.000 0.442 362 E N 2.454 122.556 120.200 -0.163 0.000 2.130 362 E HA -0.152 4.198 4.350 -0.001 0.000 0.196 362 E C -0.416 176.144 176.600 -0.066 0.000 0.998 362 E CA 1.675 58.008 56.400 -0.112 0.000 0.806 362 E CB -1.661 27.997 29.700 -0.070 0.000 0.738 362 E HN 0.492 nan 8.360 nan 0.000 0.459 363 P HA -0.133 nan 4.420 nan 0.000 0.216 363 P C 1.705 178.981 177.300 -0.041 0.000 1.150 363 P CA 0.766 63.927 63.100 0.101 0.000 0.837 363 P CB -0.048 31.807 31.700 0.259 0.000 0.786 364 L N -0.354 120.804 121.223 -0.109 0.000 2.072 364 L HA -0.028 4.312 4.340 -0.001 0.000 0.205 364 L C 2.278 178.928 176.870 -0.366 0.000 1.079 364 L CA 1.699 56.279 54.840 -0.433 0.000 0.752 364 L CB -0.869 41.081 42.059 -0.182 0.000 0.906 364 L HN -0.233 nan 8.230 nan 0.000 0.436 365 R N -0.457 119.899 120.500 -0.239 0.000 2.096 365 R HA -0.112 4.228 4.340 -0.001 0.000 0.235 365 R C 2.222 178.441 176.300 -0.135 0.000 1.127 365 R CA 1.234 57.225 56.100 -0.181 0.000 0.968 365 R CB -0.585 29.618 30.300 -0.162 0.000 0.861 365 R HN 0.537 nan 8.270 nan 0.000 0.440 366 A N 1.030 123.772 122.820 -0.131 0.000 1.898 366 A HA -0.177 4.142 4.320 -0.001 0.000 0.216 366 A C 2.118 179.655 177.584 -0.079 0.000 1.181 366 A CA 1.337 53.327 52.037 -0.078 0.000 0.620 366 A CB -0.332 18.643 19.000 -0.042 0.000 0.819 366 A HN 0.096 nan 8.150 nan 0.000 0.442 367 R N 0.262 120.645 120.500 -0.195 0.000 2.073 367 R HA -0.026 4.313 4.340 -0.001 0.000 0.234 367 R C 1.763 178.078 176.300 0.024 0.000 1.134 367 R CA 1.840 57.843 56.100 -0.162 0.000 0.952 367 R CB -0.863 29.066 30.300 -0.618 0.000 0.850 367 R HN 0.544 nan 8.270 nan 0.000 0.433 368 I N 0.288 120.814 120.570 -0.074 0.000 2.163 368 I HA -0.289 3.880 4.170 -0.001 0.000 0.243 368 I C 2.285 178.512 176.117 0.183 0.000 1.085 368 I CA 1.567 62.931 61.300 0.106 0.000 1.347 368 I CB -0.404 37.588 38.000 -0.013 0.000 1.044 368 I HN 0.317 nan 8.210 nan 0.000 0.408 369 A N -0.098 122.765 122.820 0.073 0.000 1.933 369 A HA -0.260 4.059 4.320 -0.001 0.000 0.218 369 A C 2.320 179.940 177.584 0.059 0.000 1.175 369 A CA 1.808 53.879 52.037 0.057 0.000 0.628 369 A CB -0.630 18.379 19.000 0.016 0.000 0.814 369 A HN 0.497 nan 8.150 nan 0.000 0.444 370 E N -1.098 119.141 120.200 0.064 0.000 2.058 370 E HA -0.215 4.134 4.350 -0.001 0.000 0.194 370 E C 1.693 178.290 176.600 -0.004 0.000 0.997 370 E CA 1.412 57.829 56.400 0.028 0.000 0.801 370 E CB -0.242 29.471 29.700 0.022 0.000 0.746 370 E HN 0.591 nan 8.360 nan 0.000 0.450 371 F N 0.798 120.666 119.950 -0.136 0.000 2.095 371 F HA -0.183 4.344 4.527 -0.001 0.000 0.298 371 F C 2.315 177.972 175.800 -0.239 0.000 1.104 371 F CA 1.181 58.988 58.000 -0.321 0.000 1.232 371 F CB -0.318 38.386 39.000 -0.494 0.000 0.987 371 F HN 0.050 nan 8.300 nan 0.000 0.475 372 L N -0.879 120.325 121.223 -0.031 0.000 2.131 372 L HA -0.193 4.146 4.340 -0.001 0.000 0.210 372 L C 2.422 179.305 176.870 0.021 0.000 1.092 372 L CA 1.152 55.969 54.840 -0.039 0.000 0.759 372 L CB -0.779 41.282 42.059 0.003 0.000 0.903 372 L HN 0.133 nan 8.230 nan 0.000 0.435 373 A N -1.643 121.191 122.820 0.023 0.000 2.178 373 A HA -0.078 4.242 4.320 -0.001 0.000 0.211 373 A C 0.705 178.301 177.584 0.020 0.000 1.157 373 A CA -0.141 51.907 52.037 0.018 0.000 0.780 373 A CB -0.331 18.675 19.000 0.010 0.000 0.828 373 A HN 0.281 nan 8.150 nan 0.000 0.476 374 D N 1.182 121.602 120.400 0.033 0.000 3.167 374 D HA -0.067 4.573 4.640 -0.001 0.000 0.232 374 D C -1.361 174.965 176.300 0.043 0.000 1.231 374 D CA -0.437 53.593 54.000 0.050 0.000 0.845 374 D CB 0.844 41.745 40.800 0.169 0.000 1.157 374 D HN 0.260 nan 8.370 nan 0.000 0.576 375 P HA 0.039 nan 4.420 nan 0.000 0.257 375 P C 0.322 177.586 177.300 -0.060 0.000 1.241 375 P CA -0.050 63.037 63.100 -0.021 0.000 0.816 375 P CB 0.348 32.031 31.700 -0.030 0.000 1.150 376 E N 0.587 120.725 120.200 -0.104 0.000 2.415 376 E HA 0.101 4.451 4.350 -0.001 0.000 0.262 376 E C -0.478 175.936 176.600 -0.309 0.000 1.038 376 E CA 0.393 56.623 56.400 -0.282 0.000 0.921 376 E CB 0.280 29.677 29.700 -0.506 0.000 0.950 376 E HN -0.074 nan 8.360 nan 0.000 0.438 377 T N 3.797 118.147 114.554 -0.340 0.000 2.771 377 T HA 0.302 4.652 4.350 -0.001 0.000 0.281 377 T C -1.195 173.314 174.700 -0.318 0.000 0.982 377 T CA -0.326 61.648 62.100 -0.210 0.000 0.978 377 T CB 0.181 68.982 68.868 -0.111 0.000 0.930 377 T HN 0.269 nan 8.240 nan 0.000 0.447 378 Y N 1.071 121.340 120.300 -0.053 0.000 2.419 378 Y HA 0.309 4.858 4.550 -0.001 0.000 0.328 378 Y C 1.746 177.617 175.900 -0.048 0.000 1.162 378 Y CA -0.950 57.120 58.100 -0.050 0.000 1.174 378 Y CB 0.986 39.409 38.460 -0.062 0.000 1.228 378 Y HN 0.679 nan 8.280 nan 0.000 0.473 379 E N 0.506 120.770 120.200 0.108 0.000 2.072 379 E HA -0.149 4.201 4.350 -0.001 0.000 0.191 379 E C 0.023 176.644 176.600 0.035 0.000 0.985 379 E CA 1.374 57.801 56.400 0.045 0.000 0.801 379 E CB 0.040 29.758 29.700 0.031 0.000 0.750 379 E HN 0.649 nan 8.360 nan 0.000 0.452 380 D N 0.101 120.527 120.400 0.043 0.000 3.071 380 D HA 0.244 4.884 4.640 -0.001 0.000 0.259 380 D C 0.596 176.866 176.300 -0.051 0.000 1.331 380 D CA 0.120 54.114 54.000 -0.009 0.000 0.861 380 D CB 0.093 40.880 40.800 -0.022 0.000 1.059 380 D HN 0.173 nan 8.370 nan 0.000 0.486 381 G N 0.309 109.089 108.800 -0.034 0.000 2.710 381 G HA2 -0.177 3.783 3.960 -0.001 0.000 0.668 381 G HA3 -0.177 3.783 3.960 -0.001 0.000 0.668 381 G C -0.240 174.605 174.900 -0.091 0.000 1.320 381 G CA -0.630 44.422 45.100 -0.079 0.000 0.860 381 G HN 0.258 nan 8.290 nan 0.000 0.538 382 M N 0.237 119.755 119.600 -0.136 0.000 2.202 382 M HA 0.395 4.874 4.480 -0.001 0.000 0.316 382 M C 1.020 177.115 176.300 -0.343 0.000 1.138 382 M CA -0.216 54.983 55.300 -0.168 0.000 1.151 382 M CB 0.525 33.033 32.600 -0.153 0.000 1.422 382 M HN 0.483 nan 8.290 nan 0.000 0.471 383 R N 0.645 120.877 120.500 -0.446 0.000 2.486 383 R HA 0.274 4.614 4.340 -0.001 0.000 0.286 383 R C 0.877 176.850 176.300 -0.545 0.000 0.999 383 R CA -0.373 55.361 56.100 -0.611 0.000 0.993 383 R CB 0.881 30.652 30.300 -0.880 0.000 1.084 383 R HN 0.567 nan 8.270 nan 0.000 0.487 384 V N 2.450 122.073 119.914 -0.485 0.000 2.407 384 V HA -0.275 3.845 4.120 -0.001 0.000 0.248 384 V C 1.986 177.983 176.094 -0.162 0.000 1.055 384 V CA 2.350 64.445 62.300 -0.340 0.000 1.049 384 V CB -0.896 30.654 31.823 -0.456 0.000 0.662 384 V HN 0.845 nan 8.190 nan 0.000 0.455 385 H N -0.022 119.049 119.070 0.002 0.000 2.421 385 H HA -0.137 4.419 4.556 -0.000 0.000 0.298 385 H C 2.108 177.372 175.328 -0.107 0.000 1.087 385 H CA 1.469 57.477 56.048 -0.066 0.000 1.330 385 H CB -0.572 29.082 29.762 -0.179 0.000 1.388 385 H HN 0.449 nan 8.280 nan 0.000 0.526 386 Q N 0.783 120.434 119.800 -0.248 0.000 2.119 386 Q HA -0.067 4.273 4.340 -0.001 0.000 0.201 386 Q C 2.497 178.453 176.000 -0.073 0.000 0.972 386 Q CA 1.410 57.145 55.803 -0.114 0.000 0.847 386 Q CB 0.041 28.698 28.738 -0.134 0.000 0.903 386 Q HN 0.398 nan 8.270 nan 0.000 0.433 387 V N 1.131 120.983 119.914 -0.102 0.000 2.295 387 V HA -0.272 3.848 4.120 -0.001 0.000 0.246 387 V C 2.132 178.232 176.094 0.011 0.000 1.049 387 V CA 1.724 63.987 62.300 -0.062 0.000 1.024 387 V CB -0.462 31.301 31.823 -0.100 0.000 0.648 387 V HN 0.326 nan 8.190 nan 0.000 0.447 388 I N 0.347 120.950 120.570 0.055 0.000 2.226 388 I HA -0.245 3.925 4.170 -0.001 0.000 0.245 388 I C 2.323 178.506 176.117 0.110 0.000 1.100 388 I CA 2.009 63.385 61.300 0.127 0.000 1.374 388 I CB -0.463 37.666 38.000 0.214 0.000 1.057 388 I HN 0.369 nan 8.210 nan 0.000 0.413 389 D N 0.540 120.978 120.400 0.064 0.000 2.123 389 D HA -0.177 4.463 4.640 -0.001 0.000 0.196 389 D C 2.199 178.539 176.300 0.065 0.000 0.992 389 D CA 1.700 55.734 54.000 0.057 0.000 0.833 389 D CB 0.134 40.950 40.800 0.027 0.000 0.954 389 D HN 0.190 nan 8.370 nan 0.000 0.455 390 S N -0.585 115.145 115.700 0.051 0.000 2.368 390 S HA -0.153 4.317 4.470 -0.001 0.000 0.225 390 S C 2.065 176.726 174.600 0.101 0.000 1.030 390 S CA 1.019 59.251 58.200 0.054 0.000 0.999 390 S CB -0.281 62.931 63.200 0.019 0.000 0.844 390 S HN 0.342 nan 8.310 nan 0.000 0.459 391 M N 1.714 121.390 119.600 0.128 0.000 2.086 391 M HA -0.122 4.357 4.480 -0.001 0.000 0.261 391 M C 1.899 178.369 176.300 0.284 0.000 1.067 391 M CA 1.133 56.585 55.300 0.254 0.000 1.116 391 M CB -0.677 32.085 32.600 0.270 0.000 1.348 391 M HN 0.196 nan 8.290 nan 0.000 0.407 392 N N 0.145 118.954 118.700 0.182 0.000 2.061 392 N HA -0.139 4.601 4.740 -0.001 0.000 0.193 392 N C 1.681 177.257 175.510 0.110 0.000 1.030 392 N CA 2.001 55.129 53.050 0.131 0.000 0.856 392 N CB -0.926 37.624 38.487 0.105 0.000 1.023 392 N HN 0.337 nan 8.380 nan 0.000 0.424 393 T N 0.934 115.553 114.554 0.108 0.000 2.652 393 T HA -0.074 4.276 4.350 -0.001 0.000 0.267 393 T C 2.108 176.870 174.700 0.104 0.000 1.039 393 T CA 1.315 63.467 62.100 0.087 0.000 1.153 393 T CB -0.384 68.527 68.868 0.072 0.000 0.863 393 T HN 0.014 nan 8.240 nan 0.000 0.428 394 V N 1.132 121.146 119.914 0.166 0.000 2.548 394 V HA -0.086 4.033 4.120 -0.001 0.000 0.249 394 V C 2.375 178.586 176.094 0.195 0.000 1.055 394 V CA 1.374 63.801 62.300 0.213 0.000 1.065 394 V CB -0.615 31.377 31.823 0.282 0.000 0.681 394 V HN 0.363 nan 8.190 nan 0.000 0.462 395 M N 0.883 120.561 119.600 0.130 0.000 2.086 395 M HA -0.186 4.293 4.480 -0.001 0.000 0.261 395 M C 2.063 178.316 176.300 -0.078 0.000 1.067 395 M CA 2.035 57.224 55.300 -0.185 0.000 1.116 395 M CB -0.760 31.674 32.600 -0.277 0.000 1.348 395 M HN 0.423 nan 8.290 nan 0.000 0.407 396 E N -0.372 119.824 120.200 -0.007 0.000 2.085 396 E HA -0.257 4.093 4.350 -0.001 0.000 0.194 396 E C 1.809 178.416 176.600 0.011 0.000 0.994 396 E CA 1.837 58.240 56.400 0.005 0.000 0.801 396 E CB -0.131 29.583 29.700 0.023 0.000 0.743 396 E HN 0.717 nan 8.360 nan 0.000 0.453 397 E N -0.116 120.102 120.200 0.029 0.000 2.047 397 E HA -0.176 4.173 4.350 -0.001 0.000 0.191 397 E C 2.000 178.615 176.600 0.025 0.000 0.987 397 E CA 1.059 57.479 56.400 0.033 0.000 0.799 397 E CB -0.117 29.614 29.700 0.051 0.000 0.752 397 E HN 0.350 nan 8.360 nan 0.000 0.449 398 A N 1.306 124.142 122.820 0.026 0.000 1.930 398 A HA 0.198 4.518 4.320 -0.001 0.000 0.215 398 A C 1.392 178.968 177.584 -0.013 0.000 1.176 398 A CA 0.812 52.861 52.037 0.020 0.000 0.632 398 A CB -0.172 18.860 19.000 0.054 0.000 0.819 398 A HN 0.239 nan 8.150 nan 0.000 0.445 399 A N 0.571 123.363 122.820 -0.045 0.000 2.340 399 A HA 0.511 4.831 4.320 -0.001 0.000 0.268 399 A C -0.008 177.566 177.584 -0.018 0.000 1.100 399 A CA -0.563 51.447 52.037 -0.044 0.000 0.803 399 A CB 0.221 19.176 19.000 -0.074 0.000 1.043 399 A HN 0.352 nan 8.150 nan 0.000 0.488 400 E N 1.076 121.270 120.200 -0.010 0.000 2.408 400 E HA 0.185 4.534 4.350 -0.001 0.000 0.259 400 E C -2.251 174.349 176.600 -0.001 0.000 1.110 400 E CA -1.604 54.795 56.400 -0.001 0.000 0.929 400 E CB -0.375 29.327 29.700 0.003 0.000 0.971 400 E HN 0.337 nan 8.360 nan 0.000 0.438 401 P HA -0.037 nan 4.420 nan 0.000 0.261 401 P C 0.520 177.826 177.300 0.010 0.000 1.173 401 P CA 1.192 64.298 63.100 0.009 0.000 0.760 401 P CB 0.199 31.906 31.700 0.012 0.000 0.783 402 G N 1.555 110.363 108.800 0.013 0.000 2.168 402 G HA2 -0.255 3.705 3.960 -0.001 0.000 0.257 402 G HA3 -0.255 3.705 3.960 -0.001 0.000 0.257 402 G C 0.008 174.915 174.900 0.012 0.000 0.997 402 G CA 0.057 45.166 45.100 0.015 0.000 0.708 402 G HN 0.570 nan 8.290 nan 0.000 0.520 403 E N -1.262 118.941 120.200 0.005 0.000 2.404 403 E HA 0.659 5.009 4.350 -0.001 0.000 0.264 403 E C 0.417 177.006 176.600 -0.017 0.000 0.946 403 E CA -0.510 55.890 56.400 0.001 0.000 0.806 403 E CB 1.897 31.596 29.700 -0.002 0.000 1.334 403 E HN 1.533 nan 8.360 nan 0.000 0.429 404 G N 0.274 109.057 108.800 -0.027 0.000 2.719 404 G HA2 -0.106 3.853 3.960 -0.001 0.000 0.686 404 G HA3 -0.106 3.853 3.960 -0.001 0.000 0.686 404 G C -0.805 174.077 174.900 -0.030 0.000 1.201 404 G CA -0.580 44.479 45.100 -0.069 0.000 0.768 404 G HN 0.379 nan 8.290 nan 0.000 0.629 405 T N 1.556 116.086 114.554 -0.040 0.000 2.879 405 T HA 0.627 4.976 4.350 -0.001 0.000 0.290 405 T C 0.286 175.006 174.700 0.034 0.000 0.993 405 T CA -0.468 61.647 62.100 0.025 0.000 0.975 405 T CB 1.521 70.411 68.868 0.038 0.000 0.981 405 T HN 0.661 nan 8.240 nan 0.000 0.439 406 I N 3.062 123.703 120.570 0.117 0.000 2.321 406 I HA 0.413 4.583 4.170 -0.001 0.000 0.291 406 I C -0.279 175.917 176.117 0.132 0.000 0.998 406 I CA -0.911 60.511 61.300 0.202 0.000 1.227 406 I CB 1.391 39.589 38.000 0.331 0.000 1.368 406 I HN 0.289 nan 8.210 nan 0.000 0.466 407 V N 5.114 125.089 119.914 0.102 0.000 2.532 407 V HA 0.395 4.515 4.120 -0.001 0.000 0.295 407 V C 0.091 176.221 176.094 0.059 0.000 1.041 407 V CA -0.377 61.926 62.300 0.005 0.000 0.926 407 V CB 1.730 33.570 31.823 0.028 0.000 0.992 407 V HN 0.754 nan 8.190 nan 0.000 0.457 408 S N 2.548 118.229 115.700 -0.031 0.000 2.532 408 S HA 0.367 4.837 4.470 -0.001 0.000 0.299 408 S C -0.453 174.281 174.600 0.223 0.000 1.105 408 S CA -0.683 57.602 58.200 0.142 0.000 1.018 408 S CB 1.357 64.623 63.200 0.110 0.000 1.021 408 S HN 0.888 nan 8.310 nan 0.000 0.483 409 D N 2.110 122.746 120.400 0.394 0.000 2.348 409 D HA 0.282 4.921 4.640 -0.001 0.000 0.272 409 D C -0.137 176.294 176.300 0.219 0.000 1.237 409 D CA -0.108 54.147 54.000 0.424 0.000 1.042 409 D CB 0.472 41.575 40.800 0.504 0.000 1.117 409 D HN 0.435 nan 8.370 nan 0.000 0.548 410 I N -0.632 120.075 120.570 0.229 0.000 2.530 410 I HA 0.614 4.784 4.170 -0.001 0.000 0.297 410 I C 0.924 177.047 176.117 0.011 0.000 1.011 410 I CA -0.343 60.942 61.300 -0.024 0.000 1.107 410 I CB 0.595 38.639 38.000 0.073 0.000 1.285 410 I HN 0.605 nan 8.210 nan 0.000 0.436 411 G N 3.762 112.414 108.800 -0.247 0.000 2.359 411 G HA2 0.060 4.020 3.960 -0.001 0.000 0.293 411 G HA3 0.060 4.020 3.960 -0.001 0.000 0.293 411 G C -0.373 174.435 174.900 -0.153 0.000 1.300 411 G CA -0.657 44.426 45.100 -0.029 0.000 0.888 411 G HN 0.318 nan 8.290 nan 0.000 0.541 412 F N 0.920 120.816 119.950 -0.089 0.000 2.171 412 F HA 0.045 4.572 4.527 -0.001 0.000 0.300 412 F C 2.563 178.353 175.800 -0.016 0.000 1.090 412 F CA 2.213 60.137 58.000 -0.127 0.000 1.293 412 F CB -0.578 38.254 39.000 -0.280 0.000 1.013 412 F HN 0.465 nan 8.300 nan 0.000 0.486 413 F N 0.137 120.118 119.950 0.053 0.000 2.269 413 F HA -0.067 4.460 4.527 -0.000 0.000 0.301 413 F C 2.305 178.151 175.800 0.076 0.000 1.082 413 F CA 1.330 59.355 58.000 0.043 0.000 1.360 413 F CB -1.206 37.857 39.000 0.104 0.000 1.041 413 F HN -0.119 nan 8.300 nan 0.000 0.512 414 R N 0.649 120.524 120.500 -1.042 0.000 2.120 414 R HA -0.163 4.176 4.340 -0.001 0.000 0.234 414 R C 1.988 177.975 176.300 -0.521 0.000 1.123 414 R CA 1.821 57.455 56.100 -0.777 0.000 0.975 414 R CB -0.916 28.812 30.300 -0.954 0.000 0.866 414 R HN 0.470 nan 8.270 nan 0.000 0.446 415 H N -1.193 117.667 119.070 -0.351 0.000 2.495 415 H HA -0.082 4.473 4.556 -0.001 0.000 0.287 415 H C 1.537 176.690 175.328 -0.293 0.000 1.033 415 H CA 0.943 56.770 56.048 -0.369 0.000 1.307 415 H CB -0.100 29.380 29.762 -0.470 0.000 1.401 415 H HN 0.244 nan 8.280 nan 0.000 0.555 416 Y N 0.796 121.002 120.300 -0.158 0.000 2.242 416 Y HA -0.077 4.473 4.550 -0.000 0.000 0.291 416 Y C 2.831 178.741 175.900 0.017 0.000 1.137 416 Y CA 1.037 59.158 58.100 0.034 0.000 1.181 416 Y CB -0.577 38.026 38.460 0.238 0.000 0.989 416 Y HN 0.195 nan 8.280 nan 0.000 0.527 417 G N -0.409 108.474 108.800 0.137 0.000 2.446 417 G HA2 -0.238 3.721 3.960 -0.001 0.000 0.217 417 G HA3 -0.238 3.721 3.960 -0.001 0.000 0.217 417 G C 1.837 176.399 174.900 -0.563 0.000 1.168 417 G CA 1.449 46.529 45.100 -0.032 0.000 0.771 417 G HN 0.270 nan 8.290 nan 0.000 0.551 418 V N 0.982 120.611 119.914 -0.474 0.000 2.287 418 V HA -0.174 3.946 4.120 -0.001 0.000 0.248 418 V C 2.920 178.735 176.094 -0.466 0.000 1.053 418 V CA 1.698 63.691 62.300 -0.512 0.000 1.027 418 V CB -0.443 31.149 31.823 -0.384 0.000 0.646 418 V HN 0.352 nan 8.190 nan 0.000 0.447 419 L N -1.906 119.003 121.223 -0.523 0.000 2.109 419 L HA -0.059 4.280 4.340 -0.001 0.000 0.207 419 L C 2.126 178.564 176.870 -0.719 0.000 1.086 419 L CA 1.524 55.912 54.840 -0.754 0.000 0.760 419 L CB -0.306 40.977 42.059 -1.294 0.000 0.910 419 L HN 0.313 nan 8.230 nan 0.000 0.437 420 F N -0.758 119.086 119.950 -0.176 0.000 2.740 420 F HA 0.348 4.874 4.527 -0.000 0.000 0.304 420 F C 1.321 177.064 175.800 -0.094 0.000 1.098 420 F CA -0.714 57.231 58.000 -0.092 0.000 1.258 420 F CB -0.337 38.674 39.000 0.019 0.000 1.061 420 F HN -0.207 nan 8.300 nan 0.000 0.598 421 A N 1.588 124.372 122.820 -0.061 0.000 2.388 421 A HA 0.368 4.688 4.320 -0.001 0.000 0.257 421 A C 0.601 178.150 177.584 -0.058 0.000 1.095 421 A CA -0.426 51.577 52.037 -0.057 0.000 0.791 421 A CB 0.149 19.058 19.000 -0.152 0.000 1.029 421 A HN 0.288 nan 8.150 nan 0.000 0.489 422 R N 1.446 121.974 120.500 0.046 0.000 2.491 422 R HA 0.456 4.795 4.340 -0.001 0.000 0.283 422 R C -0.522 175.824 176.300 0.077 0.000 1.072 422 R CA 0.505 56.635 56.100 0.050 0.000 1.048 422 R CB 0.414 30.750 30.300 0.059 0.000 0.983 422 R HN 0.845 nan 8.270 nan 0.000 0.450 423 A N 4.109 126.968 122.820 0.065 0.000 2.499 423 A HA 0.181 4.500 4.320 -0.001 0.000 0.280 423 A C -0.842 176.778 177.584 0.060 0.000 1.135 423 A CA -0.712 51.382 52.037 0.095 0.000 0.744 423 A CB 1.354 20.433 19.000 0.132 0.000 1.213 423 A HN 0.847 nan 8.150 nan 0.000 0.434 424 D N 1.545 121.975 120.400 0.049 0.000 2.368 424 D HA 0.162 4.802 4.640 -0.001 0.000 0.218 424 D C 0.491 176.807 176.300 0.028 0.000 1.112 424 D CA 0.775 54.796 54.000 0.034 0.000 0.834 424 D CB 0.219 41.035 40.800 0.026 0.000 0.953 424 D HN 0.757 nan 8.370 nan 0.000 0.505 425 Q N -1.694 118.125 119.800 0.031 0.000 2.575 425 Q HA 0.508 4.847 4.340 -0.001 0.000 0.290 425 Q C -3.044 172.954 176.000 -0.004 0.000 0.963 425 Q CA -2.083 53.727 55.803 0.012 0.000 0.783 425 Q CB 1.293 30.044 28.738 0.021 0.000 1.467 425 Q HN -0.254 nan 8.270 nan 0.000 0.402 426 P HA 0.084 nan 4.420 nan 0.000 0.268 426 P C -0.836 176.381 177.300 -0.138 0.000 1.204 426 P CA 0.311 63.276 63.100 -0.224 0.000 0.768 426 P CB -0.047 31.429 31.700 -0.374 0.000 0.842 427 F N 0.850 120.839 119.950 0.064 0.000 3.084 427 F HA -0.183 4.344 4.527 -0.001 0.000 0.286 427 F C 1.630 177.470 175.800 0.066 0.000 0.855 427 F CA 1.165 59.202 58.000 0.061 0.000 1.091 427 F CB -2.633 36.388 39.000 0.036 0.000 1.177 427 F HN 0.489 nan 8.300 nan 0.000 0.542 428 G N -1.271 107.662 108.800 0.223 0.000 2.572 428 G HA2 0.078 4.038 3.960 -0.001 0.000 0.216 428 G HA3 0.078 4.038 3.960 -0.001 0.000 0.216 428 G C 0.148 175.195 174.900 0.244 0.000 1.133 428 G CA 0.565 45.771 45.100 0.177 0.000 0.791 428 G HN 0.350 nan 8.290 nan 0.000 0.538 429 F N 1.174 121.200 119.950 0.126 0.000 2.445 429 F HA 0.643 5.170 4.527 -0.001 0.000 0.348 429 F C -0.938 174.957 175.800 0.159 0.000 1.125 429 F CA -1.526 56.548 58.000 0.123 0.000 0.983 429 F CB 1.161 40.221 39.000 0.100 0.000 1.198 429 F HN -0.259 nan 8.300 nan 0.000 0.436 430 L N 6.182 127.163 121.223 -0.404 0.000 2.313 430 L HA 0.634 4.974 4.340 -0.001 0.000 0.283 430 L C -0.069 176.543 176.870 -0.430 0.000 1.013 430 L CA -0.408 54.267 54.840 -0.275 0.000 0.816 430 L CB 1.990 43.999 42.059 -0.084 0.000 1.236 430 L HN 0.724 nan 8.230 nan 0.000 0.419 431 T N 0.678 115.070 114.554 -0.271 0.000 2.762 431 T HA 0.245 4.595 4.350 -0.001 0.000 0.301 431 T C -1.112 173.385 174.700 -0.338 0.000 1.299 431 T CA -0.349 61.609 62.100 -0.236 0.000 1.005 431 T CB 2.081 70.745 68.868 -0.339 0.000 1.377 431 T HN 0.417 nan 8.240 nan 0.000 0.504 432 S N 1.012 116.256 115.700 -0.760 0.000 2.439 432 S HA 0.582 5.052 4.470 -0.001 0.000 0.282 432 S C 1.113 175.575 174.600 -0.229 0.000 1.170 432 S CA 0.048 57.815 58.200 -0.722 0.000 1.054 432 S CB 0.263 62.823 63.200 -1.068 0.000 0.956 432 S HN 0.820 nan 8.310 nan 0.000 0.490 433 A N 5.061 127.805 122.820 -0.127 0.000 1.835 433 A HA 0.251 4.571 4.320 -0.001 0.000 0.213 433 A C 1.964 179.484 177.584 -0.107 0.000 1.210 433 A CA 1.201 53.192 52.037 -0.078 0.000 0.605 433 A CB -1.321 17.627 19.000 -0.088 0.000 0.860 433 A HN 0.910 nan 8.150 nan 0.000 0.447 434 G N -2.034 106.704 108.800 -0.103 0.000 2.539 434 G HA2 -0.031 3.929 3.960 -0.001 0.000 0.215 434 G HA3 -0.031 3.929 3.960 -0.001 0.000 0.215 434 G C 1.537 176.393 174.900 -0.072 0.000 1.141 434 G CA 1.102 46.145 45.100 -0.095 0.000 0.806 434 G HN 0.556 nan 8.290 nan 0.000 0.533 435 C N -0.017 119.244 119.300 -0.065 0.000 2.541 435 C HA 0.357 4.817 4.460 -0.001 0.000 0.284 435 C C 1.797 176.761 174.990 -0.044 0.000 1.341 435 C CA 1.216 60.212 59.018 -0.038 0.000 1.732 435 C CB -0.491 27.253 27.740 0.006 0.000 2.126 435 C HN 0.440 nan 8.230 nan 0.000 0.505 436 S N 1.346 116.996 115.700 -0.084 0.000 3.631 436 S HA -0.168 4.301 4.470 -0.001 0.000 0.366 436 S C 0.092 174.684 174.600 -0.014 0.000 0.993 436 S CA 0.702 58.856 58.200 -0.077 0.000 1.167 436 S CB -1.815 61.367 63.200 -0.031 0.000 0.909 436 S HN 0.870 nan 8.310 nan 0.000 0.478 437 S N 2.145 117.881 115.700 0.059 0.000 2.505 437 S HA 0.530 4.999 4.470 -0.001 0.000 0.276 437 S C 0.588 175.360 174.600 0.288 0.000 1.274 437 S CA -0.814 57.461 58.200 0.125 0.000 1.053 437 S CB -0.012 63.306 63.200 0.198 0.000 0.919 437 S HN 0.533 nan 8.310 nan 0.000 0.490 438 F N 3.625 123.597 119.950 0.038 0.000 2.545 438 F HA 0.542 5.069 4.527 -0.000 0.000 0.348 438 F C 1.247 177.093 175.800 0.077 0.000 1.163 438 F CA -0.836 57.218 58.000 0.091 0.000 1.331 438 F CB -1.064 37.992 39.000 0.093 0.000 1.138 438 F HN 0.846 nan 8.300 nan 0.000 0.602 439 G N 2.083 111.020 108.800 0.228 0.000 2.194 439 G HA2 -0.387 3.572 3.960 -0.001 0.000 0.236 439 G HA3 -0.387 3.572 3.960 -0.001 0.000 0.236 439 G C 0.730 175.887 174.900 0.428 0.000 0.987 439 G CA 0.308 45.495 45.100 0.144 0.000 0.635 439 G HN 0.997 nan 8.290 nan 0.000 0.520 440 Y N 1.763 122.276 120.300 0.354 0.000 2.256 440 Y HA 0.071 4.620 4.550 -0.001 0.000 0.288 440 Y C 2.548 178.489 175.900 0.068 0.000 1.155 440 Y CA 2.672 60.908 58.100 0.227 0.000 1.203 440 Y CB -0.470 38.100 38.460 0.184 0.000 0.980 440 Y HN 0.263 nan 8.280 nan 0.000 0.530 441 G N 0.739 109.650 108.800 0.184 0.000 2.491 441 G HA2 -0.299 3.661 3.960 -0.001 0.000 0.218 441 G HA3 -0.299 3.661 3.960 -0.001 0.000 0.218 441 G C 1.738 176.616 174.900 -0.037 0.000 1.180 441 G CA 1.521 46.679 45.100 0.097 0.000 0.774 441 G HN 0.491 nan 8.290 nan 0.000 0.562 442 I N 1.931 122.482 120.570 -0.031 0.000 2.099 442 I HA -0.132 4.038 4.170 -0.001 0.000 0.239 442 I C 0.124 176.144 176.117 -0.161 0.000 1.066 442 I CA 1.401 62.661 61.300 -0.067 0.000 1.324 442 I CB -0.929 37.013 38.000 -0.097 0.000 1.037 442 I HN 0.204 nan 8.210 nan 0.000 0.401 443 P HA -0.167 nan 4.420 nan 0.000 0.218 443 P C 1.327 178.362 177.300 -0.443 0.000 1.148 443 P CA 1.972 64.850 63.100 -0.369 0.000 0.822 443 P CB -0.047 31.343 31.700 -0.516 0.000 0.784 444 A N 0.452 122.936 122.820 -0.560 0.000 1.930 444 A HA 0.025 4.344 4.320 -0.001 0.000 0.217 444 A C 2.471 179.888 177.584 -0.279 0.000 1.175 444 A CA 1.880 53.582 52.037 -0.559 0.000 0.627 444 A CB -1.450 17.044 19.000 -0.842 0.000 0.815 444 A HN 0.217 nan 8.150 nan 0.000 0.443 445 A N 0.004 122.716 122.820 -0.181 0.000 1.930 445 A HA -0.048 4.271 4.320 -0.001 0.000 0.217 445 A C 2.095 179.638 177.584 -0.069 0.000 1.175 445 A CA 1.410 53.403 52.037 -0.074 0.000 0.627 445 A CB -0.575 18.423 19.000 -0.005 0.000 0.815 445 A HN 0.487 nan 8.150 nan 0.000 0.443 446 I N -0.287 120.222 120.570 -0.101 0.000 2.127 446 I HA -0.235 3.935 4.170 -0.001 0.000 0.241 446 I C 2.758 178.825 176.117 -0.084 0.000 1.075 446 I CA 1.268 62.525 61.300 -0.072 0.000 1.334 446 I CB -0.718 37.234 38.000 -0.081 0.000 1.040 446 I HN 0.398 nan 8.210 nan 0.000 0.405 447 G N 0.396 109.083 108.800 -0.189 0.000 2.446 447 G HA2 -0.283 3.677 3.960 -0.001 0.000 0.217 447 G HA3 -0.283 3.677 3.960 -0.001 0.000 0.217 447 G C 1.836 176.679 174.900 -0.096 0.000 1.168 447 G CA 0.953 45.940 45.100 -0.188 0.000 0.771 447 G HN 0.513 nan 8.290 nan 0.000 0.551 448 A N 0.049 122.814 122.820 -0.092 0.000 1.898 448 A HA -0.071 4.249 4.320 -0.001 0.000 0.216 448 A C 2.329 179.909 177.584 -0.007 0.000 1.181 448 A CA 2.249 54.260 52.037 -0.043 0.000 0.620 448 A CB -0.469 18.509 19.000 -0.036 0.000 0.819 448 A HN 0.413 nan 8.150 nan 0.000 0.442 449 Q N -0.532 119.268 119.800 0.000 0.000 2.119 449 Q HA -0.028 4.312 4.340 -0.001 0.000 0.201 449 Q C 1.944 177.960 176.000 0.026 0.000 0.972 449 Q CA 1.893 57.709 55.803 0.022 0.000 0.847 449 Q CB -0.393 28.364 28.738 0.033 0.000 0.903 449 Q HN 0.690 nan 8.270 nan 0.000 0.433 450 M N -1.100 118.517 119.600 0.029 0.000 2.254 450 M HA -0.032 4.447 4.480 -0.001 0.000 0.265 450 M C 1.988 178.311 176.300 0.039 0.000 1.066 450 M CA 1.232 56.559 55.300 0.045 0.000 1.123 450 M CB -0.118 32.536 32.600 0.090 0.000 1.388 450 M HN 0.313 nan 8.290 nan 0.000 0.425 451 A N 0.428 123.265 122.820 0.027 0.000 1.970 451 A HA -0.003 4.316 4.320 -0.001 0.000 0.216 451 A C 1.257 178.859 177.584 0.030 0.000 1.170 451 A CA 0.971 53.024 52.037 0.027 0.000 0.645 451 A CB -0.080 18.930 19.000 0.015 0.000 0.816 451 A HN 0.408 nan 8.150 nan 0.000 0.447 452 R N -0.311 120.205 120.500 0.027 0.000 2.868 452 R HA 0.209 4.548 4.340 -0.001 0.000 0.289 452 R C -2.174 174.141 176.300 0.025 0.000 1.443 452 R CA -1.548 54.568 56.100 0.028 0.000 1.651 452 R CB 0.953 31.271 30.300 0.029 0.000 1.242 452 R HN 0.287 nan 8.270 nan 0.000 0.621 453 P HA -0.145 nan 4.420 nan 0.000 0.220 453 P C -0.048 177.266 177.300 0.023 0.000 1.148 453 P CA 1.221 64.336 63.100 0.024 0.000 0.803 453 P CB 0.399 32.111 31.700 0.021 0.000 0.782 454 D N -0.829 119.583 120.400 0.021 0.000 2.368 454 D HA 0.103 4.743 4.640 -0.001 0.000 0.218 454 D C 0.622 176.932 176.300 0.016 0.000 1.112 454 D CA 0.258 54.269 54.000 0.018 0.000 0.834 454 D CB 0.408 41.218 40.800 0.016 0.000 0.953 454 D HN 0.378 nan 8.370 nan 0.000 0.505 455 Q N 1.146 120.955 119.800 0.016 0.000 2.301 455 Q HA 0.399 4.739 4.340 -0.001 0.000 0.267 455 Q C -2.488 173.515 176.000 0.005 0.000 1.035 455 Q CA -2.021 53.785 55.803 0.004 0.000 0.856 455 Q CB 2.240 30.979 28.738 0.001 0.000 1.337 455 Q HN -0.061 nan 8.270 nan 0.000 0.450 456 P HA 0.052 nan 4.420 nan 0.000 0.276 456 P C -0.936 176.333 177.300 -0.051 0.000 1.230 456 P CA -0.114 62.972 63.100 -0.023 0.000 0.776 456 P CB 0.751 32.386 31.700 -0.109 0.000 0.888 457 T N 3.833 118.437 114.554 0.083 0.000 2.847 457 T HA 0.460 4.810 4.350 -0.001 0.000 0.291 457 T C -0.549 174.379 174.700 0.380 0.000 0.998 457 T CA -0.155 62.021 62.100 0.127 0.000 0.967 457 T CB 0.108 69.037 68.868 0.101 0.000 0.954 457 T HN 0.100 nan 8.240 nan 0.000 0.441 458 F N 2.803 122.790 119.950 0.061 0.000 2.450 458 F HA 0.695 5.222 4.527 -0.000 0.000 0.332 458 F C -0.057 175.781 175.800 0.063 0.000 1.093 458 F CA -2.156 55.882 58.000 0.064 0.000 1.003 458 F CB 1.450 40.496 39.000 0.076 0.000 1.151 458 F HN 0.316 nan 8.300 nan 0.000 0.474 459 L N 5.090 126.440 121.223 0.211 0.000 2.341 459 L HA 0.654 4.993 4.340 -0.001 0.000 0.278 459 L C -1.244 175.676 176.870 0.083 0.000 1.005 459 L CA -0.475 54.449 54.840 0.140 0.000 0.818 459 L CB 1.517 43.640 42.059 0.107 0.000 1.259 459 L HN 0.581 nan 8.230 nan 0.000 0.418 460 I N 4.758 125.404 120.570 0.127 0.000 2.433 460 I HA 0.851 5.020 4.170 -0.001 0.000 0.292 460 I C -0.965 175.177 176.117 0.043 0.000 1.001 460 I CA -0.314 61.011 61.300 0.043 0.000 1.119 460 I CB 1.477 39.557 38.000 0.135 0.000 1.289 460 I HN 0.899 nan 8.210 nan 0.000 0.438 461 A N 4.959 127.605 122.820 -0.291 0.000 2.539 461 A HA 0.804 5.124 4.320 -0.001 0.000 0.296 461 A C -0.540 176.551 177.584 -0.822 0.000 1.073 461 A CA -0.399 51.437 52.037 -0.336 0.000 0.700 461 A CB 1.441 20.475 19.000 0.057 0.000 1.296 461 A HN 0.810 nan 8.150 nan 0.000 0.405 462 G N -0.213 108.102 108.800 -0.808 0.000 2.502 462 G HA2 0.445 4.405 3.960 -0.001 0.000 0.305 462 G HA3 0.445 4.405 3.960 -0.001 0.000 0.305 462 G C 0.451 175.253 174.900 -0.164 0.000 1.190 462 G CA 0.296 45.118 45.100 -0.462 0.000 0.933 462 G HN 0.805 nan 8.290 nan 0.000 0.503 463 D N -0.022 120.318 120.400 -0.101 0.000 2.117 463 D HA -0.116 4.524 4.640 -0.001 0.000 0.197 463 D C 2.160 178.534 176.300 0.123 0.000 0.987 463 D CA 1.390 55.360 54.000 -0.050 0.000 0.829 463 D CB -0.783 40.117 40.800 0.167 0.000 0.961 463 D HN 0.471 nan 8.370 nan 0.000 0.460 464 G N 0.970 109.926 108.800 0.261 0.000 2.480 464 G HA2 -0.187 3.772 3.960 -0.001 0.000 0.216 464 G HA3 -0.187 3.772 3.960 -0.001 0.000 0.216 464 G C 1.804 176.763 174.900 0.098 0.000 1.200 464 G CA 1.334 46.615 45.100 0.301 0.000 0.782 464 G HN 0.478 nan 8.290 nan 0.000 0.554 465 G N -0.028 108.891 108.800 0.197 0.000 2.408 465 G HA2 -0.124 3.836 3.960 -0.001 0.000 0.217 465 G HA3 -0.124 3.836 3.960 -0.001 0.000 0.217 465 G C 1.657 176.503 174.900 -0.091 0.000 1.150 465 G CA 0.819 45.929 45.100 0.016 0.000 0.776 465 G HN 0.338 nan 8.290 nan 0.000 0.542 466 F N 0.776 120.662 119.950 -0.106 0.000 2.134 466 F HA -0.059 4.468 4.527 -0.001 0.000 0.299 466 F C 2.411 178.171 175.800 -0.067 0.000 1.097 466 F CA 1.814 59.734 58.000 -0.133 0.000 1.264 466 F CB -0.121 38.708 39.000 -0.286 0.000 1.001 466 F HN 0.255 nan 8.300 nan 0.000 0.479 467 H N -0.266 118.772 119.070 -0.054 0.000 2.524 467 H HA -0.002 4.554 4.556 -0.001 0.000 0.282 467 H C 2.397 177.555 175.328 -0.284 0.000 1.016 467 H CA 0.997 57.006 56.048 -0.065 0.000 1.270 467 H CB -0.387 29.422 29.762 0.078 0.000 1.394 467 H HN 0.330 nan 8.280 nan 0.000 0.568 468 S N -1.052 114.376 115.700 -0.453 0.000 2.442 468 S HA -0.127 4.342 4.470 -0.001 0.000 0.236 468 S C 1.362 175.663 174.600 -0.499 0.000 1.007 468 S CA 1.381 59.198 58.200 -0.638 0.000 0.965 468 S CB -0.031 62.366 63.200 -1.339 0.000 0.773 468 S HN 0.436 nan 8.310 nan 0.000 0.504 469 N N 0.096 118.536 118.700 -0.433 0.000 2.471 469 N HA 0.195 4.934 4.740 -0.001 0.000 0.270 469 N C 0.698 175.984 175.510 -0.373 0.000 1.490 469 N CA 0.551 53.402 53.050 -0.332 0.000 0.850 469 N CB 0.593 38.974 38.487 -0.178 0.000 1.411 469 N HN 0.331 nan 8.380 nan 0.000 0.488 470 S N -2.136 113.317 115.700 -0.411 0.000 2.522 470 S HA 0.021 4.491 4.470 -0.001 0.000 0.227 470 S C 1.590 176.074 174.600 -0.193 0.000 0.986 470 S CA 0.447 58.375 58.200 -0.454 0.000 0.929 470 S CB -0.029 63.066 63.200 -0.176 0.000 0.769 470 S HN 0.141 nan 8.310 nan 0.000 0.529 471 S N 2.243 117.862 115.700 -0.135 0.000 2.423 471 S HA -0.056 4.414 4.470 -0.001 0.000 0.231 471 S C 1.212 175.793 174.600 -0.032 0.000 1.014 471 S CA 0.936 59.104 58.200 -0.054 0.000 0.965 471 S CB -0.382 62.796 63.200 -0.036 0.000 0.785 471 S HN 0.563 nan 8.310 nan 0.000 0.495 472 D N 1.237 121.603 120.400 -0.057 0.000 2.378 472 D HA 0.075 4.714 4.640 -0.001 0.000 0.227 472 D C 1.472 177.759 176.300 -0.021 0.000 1.012 472 D CA 0.131 54.113 54.000 -0.029 0.000 0.905 472 D CB -0.056 40.724 40.800 -0.033 0.000 0.895 472 D HN 0.355 nan 8.370 nan 0.000 0.532 473 L N 0.771 121.982 121.223 -0.019 0.000 2.081 473 L HA -0.189 4.151 4.340 -0.001 0.000 0.212 473 L C 2.564 179.456 176.870 0.037 0.000 1.080 473 L CA 1.103 55.964 54.840 0.035 0.000 0.754 473 L CB -0.215 41.891 42.059 0.078 0.000 0.893 473 L HN 0.004 nan 8.230 nan 0.000 0.433 474 E N -0.148 120.069 120.200 0.029 0.000 2.077 474 E HA -0.190 4.159 4.350 -0.001 0.000 0.193 474 E C 1.979 178.597 176.600 0.030 0.000 0.989 474 E CA 1.899 58.317 56.400 0.031 0.000 0.800 474 E CB 0.013 29.730 29.700 0.028 0.000 0.746 474 E HN 0.439 nan 8.360 nan 0.000 0.452 475 T N 1.585 116.154 114.554 0.026 0.000 2.746 475 T HA -0.101 4.248 4.350 -0.001 0.000 0.267 475 T C 2.104 176.821 174.700 0.029 0.000 1.039 475 T CA 1.331 63.447 62.100 0.027 0.000 1.142 475 T CB -0.207 68.676 68.868 0.026 0.000 0.866 475 T HN 0.174 nan 8.240 nan 0.000 0.444 476 I N 1.326 121.913 120.570 0.029 0.000 2.208 476 I HA -0.228 3.942 4.170 -0.001 0.000 0.245 476 I C 2.904 179.046 176.117 0.042 0.000 1.097 476 I CA 1.207 62.529 61.300 0.037 0.000 1.363 476 I CB -0.468 37.559 38.000 0.046 0.000 1.051 476 I HN 0.213 nan 8.210 nan 0.000 0.413 477 A N 0.758 123.603 122.820 0.042 0.000 1.877 477 A HA -0.258 4.062 4.320 -0.001 0.000 0.216 477 A C 2.424 180.028 177.584 0.034 0.000 1.186 477 A CA 1.950 54.012 52.037 0.042 0.000 0.620 477 A CB -0.666 18.359 19.000 0.041 0.000 0.822 477 A HN 0.385 nan 8.150 nan 0.000 0.443 478 R N -0.281 120.237 120.500 0.030 0.000 2.096 478 R HA -0.015 4.325 4.340 -0.001 0.000 0.235 478 R C 1.664 177.976 176.300 0.020 0.000 1.127 478 R CA 1.523 57.637 56.100 0.024 0.000 0.968 478 R CB -0.377 29.937 30.300 0.023 0.000 0.861 478 R HN 0.497 nan 8.270 nan 0.000 0.440 479 L N 0.574 121.810 121.223 0.021 0.000 2.478 479 L HA 0.025 4.364 4.340 -0.001 0.000 0.223 479 L C 0.423 177.306 176.870 0.022 0.000 1.140 479 L CA 0.150 55.000 54.840 0.017 0.000 0.842 479 L CB -0.431 41.640 42.059 0.021 0.000 0.953 479 L HN 0.341 nan 8.230 nan 0.000 0.452 480 N N 1.017 119.734 118.700 0.028 0.000 2.714 480 N HA -0.204 4.536 4.740 -0.001 0.000 0.253 480 N C -0.658 174.874 175.510 0.037 0.000 1.024 480 N CA 0.443 53.513 53.050 0.033 0.000 0.726 480 N CB -1.201 37.303 38.487 0.027 0.000 0.908 480 N HN 0.245 nan 8.380 nan 0.000 0.542 481 L N 0.792 122.040 121.223 0.042 0.000 2.260 481 L HA 0.362 4.701 4.340 -0.001 0.000 0.289 481 L C -1.314 175.593 176.870 0.061 0.000 1.057 481 L CA -1.663 53.206 54.840 0.047 0.000 0.811 481 L CB 1.032 43.117 42.059 0.044 0.000 1.184 481 L HN 0.078 nan 8.230 nan 0.000 0.429 482 P HA 0.105 nan 4.420 nan 0.000 0.237 482 P C -0.005 177.362 177.300 0.112 0.000 1.723 482 P CA 0.053 63.202 63.100 0.082 0.000 0.882 482 P CB -0.311 31.431 31.700 0.070 0.000 1.810 483 I N 0.196 120.832 120.570 0.109 0.000 2.529 483 I HA 0.057 4.227 4.170 -0.001 0.000 0.284 483 I C 0.628 176.825 176.117 0.133 0.000 1.082 483 I CA -0.435 60.944 61.300 0.131 0.000 1.406 483 I CB 1.139 39.199 38.000 0.100 0.000 1.405 483 I HN -0.153 nan 8.210 nan 0.000 0.548 484 V N 5.614 125.616 119.914 0.147 0.000 2.333 484 V HA 0.264 4.384 4.120 -0.001 0.000 0.274 484 V C 0.154 176.219 176.094 -0.048 0.000 1.028 484 V CA -0.450 61.863 62.300 0.023 0.000 0.851 484 V CB 1.072 32.793 31.823 -0.169 0.000 1.000 484 V HN 0.736 nan 8.190 nan 0.000 0.456 485 T N 4.701 119.210 114.554 -0.074 0.000 2.829 485 T HA 0.575 4.925 4.350 -0.001 0.000 0.282 485 T C -0.249 174.303 174.700 -0.248 0.000 0.990 485 T CA -0.366 61.657 62.100 -0.129 0.000 1.028 485 T CB 1.700 70.502 68.868 -0.110 0.000 0.951 485 T HN 0.335 nan 8.240 nan 0.000 0.460 486 V N 3.982 123.740 119.914 -0.260 0.000 2.378 486 V HA 0.375 4.494 4.120 -0.001 0.000 0.288 486 V C -0.199 175.636 176.094 -0.431 0.000 1.016 486 V CA -0.791 61.324 62.300 -0.308 0.000 0.840 486 V CB 1.691 33.383 31.823 -0.218 0.000 0.994 486 V HN 0.711 nan 8.190 nan 0.000 0.431 487 V N 5.994 125.577 119.914 -0.552 0.000 2.350 487 V HA 0.318 4.438 4.120 -0.001 0.000 0.276 487 V C 0.127 175.910 176.094 -0.519 0.000 1.028 487 V CA -0.624 61.247 62.300 -0.716 0.000 0.860 487 V CB 1.767 32.934 31.823 -1.093 0.000 0.990 487 V HN 0.734 nan 8.190 nan 0.000 0.453 488 V N 2.394 122.007 119.914 -0.502 0.000 2.353 488 V HA 0.541 4.660 4.120 -0.001 0.000 0.264 488 V C -0.009 175.911 176.094 -0.290 0.000 1.049 488 V CA -0.435 61.641 62.300 -0.372 0.000 0.896 488 V CB 0.935 32.547 31.823 -0.353 0.000 1.025 488 V HN 0.750 nan 8.190 nan 0.000 0.475 489 N N 5.069 123.644 118.700 -0.208 0.000 2.425 489 N HA 0.395 5.135 4.740 -0.001 0.000 0.268 489 N C 0.249 175.731 175.510 -0.047 0.000 0.991 489 N CA -0.348 52.655 53.050 -0.079 0.000 0.931 489 N CB 1.449 39.940 38.487 0.006 0.000 1.130 489 N HN 0.910 nan 8.380 nan 0.000 0.493 490 N N 2.232 120.954 118.700 0.036 0.000 2.240 490 N HA 0.052 4.792 4.740 -0.001 0.000 0.240 490 N C -1.094 174.493 175.510 0.128 0.000 1.277 490 N CA -0.179 52.891 53.050 0.032 0.000 0.873 490 N CB 0.097 38.561 38.487 -0.038 0.000 1.222 490 N HN 0.467 nan 8.380 nan 0.000 0.507 491 D N 0.236 120.764 120.400 0.213 0.000 2.837 491 D HA -0.130 4.510 4.640 -0.001 0.000 0.230 491 D C -0.939 175.553 176.300 0.320 0.000 1.152 491 D CA 1.287 55.470 54.000 0.306 0.000 0.736 491 D CB -1.674 39.231 40.800 0.175 0.000 1.084 491 D HN 0.491 nan 8.370 nan 0.000 0.429 492 T N 0.008 114.776 114.554 0.356 0.000 2.942 492 T HA 0.193 4.543 4.350 -0.001 0.000 0.327 492 T C -0.166 174.695 174.700 0.270 0.000 1.360 492 T CA -0.850 61.313 62.100 0.105 0.000 1.055 492 T CB 1.471 70.424 68.868 0.142 0.000 1.261 492 T HN -0.164 nan 8.240 nan 0.000 0.485 493 N N 1.858 120.604 118.700 0.076 0.000 2.671 493 N HA 0.205 4.944 4.740 -0.001 0.000 0.274 493 N C 1.469 177.105 175.510 0.209 0.000 1.188 493 N CA 0.023 53.217 53.050 0.240 0.000 1.065 493 N CB 0.694 39.279 38.487 0.163 0.000 1.415 493 N HN 0.892 nan 8.380 nan 0.000 0.511 494 G N 1.243 110.228 108.800 0.308 0.000 2.421 494 G HA2 -0.240 3.719 3.960 -0.001 0.000 0.216 494 G HA3 -0.240 3.719 3.960 -0.001 0.000 0.216 494 G C 1.473 176.449 174.900 0.127 0.000 1.171 494 G CA 0.292 45.589 45.100 0.329 0.000 0.775 494 G HN 0.466 nan 8.290 nan 0.000 0.543 495 L N 0.845 122.118 121.223 0.083 0.000 2.081 495 L HA -0.077 4.262 4.340 -0.001 0.000 0.212 495 L C 2.510 179.380 176.870 -0.000 0.000 1.080 495 L CA 1.359 56.173 54.840 -0.043 0.000 0.754 495 L CB -0.271 41.868 42.059 0.135 0.000 0.893 495 L HN 0.140 nan 8.230 nan 0.000 0.433 496 I N -0.848 119.769 120.570 0.079 0.000 2.353 496 I HA -0.195 3.974 4.170 -0.001 0.000 0.248 496 I C 2.455 178.582 176.117 0.017 0.000 1.119 496 I CA 1.018 62.370 61.300 0.085 0.000 1.417 496 I CB -1.443 36.593 38.000 0.059 0.000 1.078 496 I HN 0.447 nan 8.210 nan 0.000 0.421 497 E N 0.992 121.184 120.200 -0.013 0.000 2.077 497 E HA -0.252 4.098 4.350 -0.001 0.000 0.193 497 E C 2.268 178.699 176.600 -0.281 0.000 0.989 497 E CA 1.002 57.383 56.400 -0.033 0.000 0.800 497 E CB -0.016 29.766 29.700 0.136 0.000 0.746 497 E HN 0.263 nan 8.360 nan 0.000 0.452 498 L N 0.343 121.153 121.223 -0.688 0.000 1.990 498 L HA -0.240 4.099 4.340 -0.001 0.000 0.213 498 L C 2.005 178.474 176.870 -0.669 0.000 1.072 498 L CA 1.907 56.062 54.840 -1.142 0.000 0.755 498 L CB -0.867 40.239 42.059 -1.588 0.000 0.889 498 L HN 0.224 nan 8.230 nan 0.000 0.432 499 Y N -0.064 120.000 120.300 -0.393 0.000 2.224 499 Y HA -0.248 4.302 4.550 -0.001 0.000 0.289 499 Y C 2.721 178.525 175.900 -0.161 0.000 1.146 499 Y CA 1.746 59.694 58.100 -0.254 0.000 1.182 499 Y CB -0.495 37.860 38.460 -0.176 0.000 0.983 499 Y HN 0.384 nan 8.280 nan 0.000 0.524 500 Q N -0.158 119.666 119.800 0.040 0.000 2.061 500 Q HA -0.227 4.112 4.340 -0.001 0.000 0.204 500 Q C 1.939 177.971 176.000 0.054 0.000 0.984 500 Q CA 1.521 57.390 55.803 0.111 0.000 0.846 500 Q CB -0.261 28.523 28.738 0.076 0.000 0.902 500 Q HN 0.553 nan 8.270 nan 0.000 0.421 501 N N 0.420 119.074 118.700 -0.077 0.000 2.216 501 N HA -0.081 4.658 4.740 -0.001 0.000 0.183 501 N C 1.913 177.288 175.510 -0.224 0.000 1.017 501 N CA 0.900 53.885 53.050 -0.108 0.000 0.861 501 N CB -0.055 38.365 38.487 -0.112 0.000 0.986 501 N HN 0.251 nan 8.380 nan 0.000 0.428 502 I N 0.702 121.115 120.570 -0.261 0.000 2.163 502 I HA -0.194 3.975 4.170 -0.001 0.000 0.243 502 I C 2.401 178.315 176.117 -0.339 0.000 1.085 502 I CA 1.481 62.614 61.300 -0.278 0.000 1.347 502 I CB -0.474 37.367 38.000 -0.266 0.000 1.044 502 I HN 0.149 nan 8.210 nan 0.000 0.408 503 G N -1.288 107.331 108.800 -0.301 0.000 2.539 503 G HA2 -0.111 3.849 3.960 -0.001 0.000 0.215 503 G HA3 -0.111 3.849 3.960 -0.001 0.000 0.215 503 G C 1.081 175.593 174.900 -0.647 0.000 1.141 503 G CA 0.384 45.202 45.100 -0.471 0.000 0.806 503 G HN 0.474 nan 8.290 nan 0.000 0.533 504 H N -2.372 116.593 119.070 -0.176 0.000 3.440 504 H HA 0.244 4.800 4.556 -0.001 0.000 0.259 504 H C 0.677 176.027 175.328 0.037 0.000 1.120 504 H CA -0.203 55.815 56.048 -0.050 0.000 1.191 504 H CB 0.548 30.301 29.762 -0.015 0.000 1.537 504 H HN 0.296 nan 8.280 nan 0.000 0.547 505 H N -0.071 119.048 119.070 0.082 0.000 3.109 505 H HA -0.146 4.410 4.556 -0.001 0.000 0.245 505 H C -0.044 175.328 175.328 0.073 0.000 1.187 505 H CA 1.289 57.373 56.048 0.059 0.000 1.136 505 H CB -1.206 28.583 29.762 0.045 0.000 1.243 505 H HN 0.573 nan 8.280 nan 0.000 0.328 506 R N -1.158 119.434 120.500 0.153 0.000 2.712 506 R HA 0.656 4.995 4.340 -0.001 0.000 0.272 506 R C -0.971 175.389 176.300 0.100 0.000 1.032 506 R CA -0.713 55.460 56.100 0.122 0.000 0.874 506 R CB 1.154 31.523 30.300 0.115 0.000 1.256 506 R HN -0.044 nan 8.270 nan 0.000 0.468 507 S N -0.052 115.705 115.700 0.094 0.000 2.632 507 S HA 0.238 4.708 4.470 -0.001 0.000 0.267 507 S C -0.805 173.867 174.600 0.120 0.000 1.276 507 S CA -0.359 57.894 58.200 0.089 0.000 0.998 507 S CB 0.438 63.685 63.200 0.079 0.000 0.953 507 S HN 0.645 nan 8.310 nan 0.000 0.547 508 H N 0.247 119.307 119.070 -0.016 0.000 3.177 508 H HA 0.336 4.892 4.556 -0.000 0.000 0.314 508 H C -0.302 175.009 175.328 -0.029 0.000 1.059 508 H CA -0.550 55.479 56.048 -0.032 0.000 1.515 508 H CB 0.251 29.975 29.762 -0.064 0.000 1.672 508 H HN 0.431 nan 8.280 nan 0.000 0.514 509 D N 4.699 124.921 120.400 -0.297 0.000 2.123 509 D HA -0.114 4.526 4.640 -0.001 0.000 0.196 509 D C -0.764 175.356 176.300 -0.300 0.000 0.992 509 D CA 1.019 54.874 54.000 -0.242 0.000 0.833 509 D CB -0.819 39.888 40.800 -0.156 0.000 0.954 509 D HN 0.545 nan 8.370 nan 0.000 0.455 510 P HA -0.084 nan 4.420 nan 0.000 0.220 510 P C 0.718 177.929 177.300 -0.149 0.000 1.144 510 P CA 1.478 64.415 63.100 -0.272 0.000 0.800 510 P CB 0.021 31.556 31.700 -0.274 0.000 0.772 511 A N -1.347 121.394 122.820 -0.132 0.000 2.238 511 A HA 0.148 4.468 4.320 -0.001 0.000 0.210 511 A C 1.674 179.213 177.584 -0.075 0.000 1.179 511 A CA 1.064 53.086 52.037 -0.026 0.000 0.827 511 A CB -0.448 18.598 19.000 0.076 0.000 0.856 511 A HN 0.202 nan 8.150 nan 0.000 0.488 512 V N -5.787 114.036 119.914 -0.153 0.000 3.332 512 V HA 0.339 4.459 4.120 -0.001 0.000 0.263 512 V C -0.197 175.625 176.094 -0.453 0.000 1.562 512 V CA -0.317 61.850 62.300 -0.221 0.000 1.040 512 V CB -0.095 31.673 31.823 -0.091 0.000 0.857 512 V HN 0.060 nan 8.190 nan 0.000 0.428 513 K N 1.695 121.871 120.400 -0.373 0.000 2.183 513 K HA 0.615 4.934 4.320 -0.001 0.000 0.274 513 K C -1.106 175.278 176.600 -0.360 0.000 1.009 513 K CA -0.291 55.785 56.287 -0.351 0.000 0.888 513 K CB 1.633 34.049 32.500 -0.139 0.000 1.078 513 K HN 0.304 nan 8.250 nan 0.000 0.459 514 F N -0.342 119.648 119.950 0.067 0.000 2.457 514 F HA 0.470 4.997 4.527 -0.001 0.000 0.330 514 F C 1.547 177.367 175.800 0.034 0.000 1.069 514 F CA -0.667 57.370 58.000 0.061 0.000 1.009 514 F CB 0.390 39.445 39.000 0.091 0.000 1.276 514 F HN 0.564 nan 8.300 nan 0.000 0.492 515 G N -0.728 108.215 108.800 0.238 0.000 2.535 515 G HA2 0.466 4.426 3.960 -0.001 0.000 0.282 515 G HA3 0.466 4.426 3.960 -0.001 0.000 0.282 515 G C -0.247 174.704 174.900 0.085 0.000 1.350 515 G CA -0.543 44.626 45.100 0.115 0.000 1.039 515 G HN 0.874 nan 8.290 nan 0.000 0.509 516 G N -1.645 107.162 108.800 0.012 0.000 2.390 516 G HA2 0.465 4.424 3.960 -0.001 0.000 0.270 516 G HA3 0.465 4.424 3.960 -0.001 0.000 0.270 516 G C -0.804 174.006 174.900 -0.151 0.000 1.211 516 G CA -0.136 44.937 45.100 -0.046 0.000 0.842 516 G HN 0.560 nan 8.290 nan 0.000 0.519 517 V N 2.660 122.397 119.914 -0.295 0.000 2.540 517 V HA 0.246 4.366 4.120 -0.001 0.000 0.302 517 V C -0.708 175.006 176.094 -0.634 0.000 1.035 517 V CA -0.870 61.072 62.300 -0.597 0.000 0.873 517 V CB 1.971 33.114 31.823 -1.133 0.000 0.992 517 V HN 0.773 nan 8.190 nan 0.000 0.428 518 D N 3.303 123.413 120.400 -0.482 0.000 2.441 518 D HA 0.268 4.907 4.640 -0.001 0.000 0.221 518 D C 0.535 176.621 176.300 -0.358 0.000 1.156 518 D CA -0.217 53.590 54.000 -0.322 0.000 0.896 518 D CB 0.633 41.324 40.800 -0.182 0.000 1.028 518 D HN 0.339 nan 8.370 nan 0.000 0.509 519 F N 2.167 122.022 119.950 -0.159 0.000 2.325 519 F HA -0.123 4.403 4.527 -0.001 0.000 0.299 519 F C 2.369 178.081 175.800 -0.147 0.000 1.090 519 F CA 0.261 58.164 58.000 -0.162 0.000 1.392 519 F CB -0.293 38.569 39.000 -0.231 0.000 1.053 519 F HN 0.277 nan 8.300 nan 0.000 0.521 520 V N 0.117 120.029 119.914 -0.004 0.000 2.255 520 V HA -0.338 3.782 4.120 -0.001 0.000 0.247 520 V C 2.614 178.676 176.094 -0.054 0.000 1.051 520 V CA 1.999 64.259 62.300 -0.067 0.000 1.018 520 V CB -1.404 30.369 31.823 -0.082 0.000 0.641 520 V HN 0.352 nan 8.190 nan 0.000 0.445 521 A N -0.628 122.157 122.820 -0.060 0.000 1.930 521 A HA -0.160 4.159 4.320 -0.001 0.000 0.217 521 A C 2.164 179.726 177.584 -0.037 0.000 1.175 521 A CA 1.868 53.874 52.037 -0.052 0.000 0.627 521 A CB -0.541 18.419 19.000 -0.068 0.000 0.815 521 A HN 0.443 nan 8.150 nan 0.000 0.443 522 L N -0.210 120.986 121.223 -0.044 0.000 1.989 522 L HA -0.144 4.196 4.340 -0.001 0.000 0.211 522 L C 2.820 179.724 176.870 0.057 0.000 1.071 522 L CA 2.146 56.990 54.840 0.007 0.000 0.749 522 L CB -0.590 41.481 42.059 0.019 0.000 0.890 522 L HN 0.363 nan 8.230 nan 0.000 0.431 523 A N -0.995 121.865 122.820 0.066 0.000 1.908 523 A HA -0.263 4.057 4.320 -0.001 0.000 0.218 523 A C 2.183 179.782 177.584 0.025 0.000 1.181 523 A CA 2.023 54.092 52.037 0.054 0.000 0.627 523 A CB -0.677 18.321 19.000 -0.003 0.000 0.818 523 A HN 0.606 nan 8.150 nan 0.000 0.445 524 E N -0.458 119.744 120.200 0.004 0.000 2.150 524 E HA -0.048 4.302 4.350 -0.001 0.000 0.193 524 E C 2.230 178.838 176.600 0.014 0.000 0.985 524 E CA 0.723 57.127 56.400 0.006 0.000 0.814 524 E CB -0.263 29.435 29.700 -0.004 0.000 0.752 524 E HN 0.628 nan 8.360 nan 0.000 0.466 525 A N 1.563 124.390 122.820 0.012 0.000 2.024 525 A HA -0.170 4.150 4.320 -0.001 0.000 0.220 525 A C 1.738 179.335 177.584 0.023 0.000 1.164 525 A CA 1.171 53.216 52.037 0.014 0.000 0.643 525 A CB -0.247 18.759 19.000 0.010 0.000 0.806 525 A HN 0.160 nan 8.150 nan 0.000 0.451 526 N N -1.084 117.635 118.700 0.032 0.000 2.336 526 N HA 0.128 4.868 4.740 -0.001 0.000 0.189 526 N C 0.963 176.495 175.510 0.036 0.000 1.113 526 N CA 0.882 53.954 53.050 0.036 0.000 0.858 526 N CB 0.455 38.971 38.487 0.049 0.000 0.970 526 N HN 0.621 nan 8.380 nan 0.000 0.471 527 G N 0.587 109.407 108.800 0.033 0.000 2.132 527 G HA2 -0.226 3.733 3.960 -0.001 0.000 0.228 527 G HA3 -0.226 3.733 3.960 -0.001 0.000 0.228 527 G C -0.282 174.646 174.900 0.045 0.000 1.000 527 G CA -0.153 44.969 45.100 0.036 0.000 0.693 527 G HN 0.146 nan 8.290 nan 0.000 0.515 528 V N 1.516 121.457 119.914 0.045 0.000 2.378 528 V HA 0.377 4.497 4.120 -0.001 0.000 0.288 528 V C 0.034 176.152 176.094 0.040 0.000 1.016 528 V CA -1.335 60.997 62.300 0.053 0.000 0.840 528 V CB 1.580 33.432 31.823 0.048 0.000 0.994 528 V HN 0.269 nan 8.190 nan 0.000 0.431 529 D N 3.774 124.236 120.400 0.102 0.000 2.472 529 D HA 0.492 5.132 4.640 -0.001 0.000 0.237 529 D C 0.207 176.446 176.300 -0.100 0.000 1.141 529 D CA 0.661 54.746 54.000 0.141 0.000 0.875 529 D CB 1.572 42.581 40.800 0.350 0.000 1.192 529 D HN 0.825 nan 8.370 nan 0.000 0.450 530 A N 1.139 123.826 122.820 -0.221 0.000 2.612 530 A HA 0.677 4.997 4.320 -0.001 0.000 0.293 530 A C -0.580 176.798 177.584 -0.344 0.000 1.075 530 A CA -0.598 51.105 52.037 -0.557 0.000 0.680 530 A CB 2.403 21.215 19.000 -0.313 0.000 1.279 530 A HN 0.422 nan 8.150 nan 0.000 0.411 531 T N -0.437 113.882 114.554 -0.393 0.000 2.821 531 T HA 0.610 4.959 4.350 -0.001 0.000 0.306 531 T C -1.190 173.421 174.700 -0.149 0.000 1.313 531 T CA -0.529 61.482 62.100 -0.149 0.000 1.012 531 T CB 1.430 70.315 68.868 0.029 0.000 1.298 531 T HN 0.855 nan 8.240 nan 0.000 0.502 532 R N 1.238 121.687 120.500 -0.084 0.000 2.460 532 R HA 0.808 5.147 4.340 -0.001 0.000 0.303 532 R C -1.229 175.035 176.300 -0.061 0.000 0.968 532 R CA -0.527 55.525 56.100 -0.081 0.000 0.889 532 R CB 1.186 31.448 30.300 -0.063 0.000 1.123 532 R HN 0.689 nan 8.270 nan 0.000 0.455 533 A N 1.973 124.749 122.820 -0.073 0.000 2.374 533 A HA 0.365 4.685 4.320 -0.001 0.000 0.305 533 A C 0.133 177.678 177.584 -0.066 0.000 1.053 533 A CA -0.623 51.379 52.037 -0.059 0.000 0.726 533 A CB 1.651 20.617 19.000 -0.056 0.000 1.229 533 A HN 0.870 nan 8.150 nan 0.000 0.431 534 T N -1.655 112.869 114.554 -0.051 0.000 3.003 534 T HA 0.282 4.631 4.350 -0.001 0.000 0.261 534 T C 0.239 174.914 174.700 -0.041 0.000 1.003 534 T CA 0.438 62.508 62.100 -0.050 0.000 0.917 534 T CB -0.575 68.269 68.868 -0.040 0.000 1.084 534 T HN 0.895 nan 8.240 nan 0.000 0.522 535 N N -0.254 118.424 118.700 -0.036 0.000 2.853 535 N HA 0.427 5.167 4.740 -0.001 0.000 0.258 535 N C 0.368 175.861 175.510 -0.027 0.000 1.444 535 N CA -1.173 51.861 53.050 -0.027 0.000 0.837 535 N CB 1.003 39.478 38.487 -0.019 0.000 1.489 535 N HN -0.194 nan 8.380 nan 0.000 0.529 536 R N -0.234 120.253 120.500 -0.020 0.000 2.091 536 R HA -0.156 4.184 4.340 -0.001 0.000 0.238 536 R C 1.418 177.710 176.300 -0.012 0.000 1.136 536 R CA 1.878 57.968 56.100 -0.016 0.000 0.959 536 R CB -0.218 30.076 30.300 -0.009 0.000 0.856 536 R HN 0.795 nan 8.270 nan 0.000 0.437 537 E N 0.965 121.158 120.200 -0.012 0.000 2.072 537 E HA -0.213 4.136 4.350 -0.001 0.000 0.191 537 E C 1.638 178.233 176.600 -0.009 0.000 0.985 537 E CA 1.251 57.646 56.400 -0.009 0.000 0.801 537 E CB 0.150 29.844 29.700 -0.010 0.000 0.750 537 E HN 0.362 nan 8.360 nan 0.000 0.452 538 E N 0.177 120.369 120.200 -0.013 0.000 2.077 538 E HA -0.198 4.151 4.350 -0.001 0.000 0.193 538 E C 2.146 178.739 176.600 -0.012 0.000 0.989 538 E CA 0.945 57.337 56.400 -0.012 0.000 0.800 538 E CB -0.078 29.610 29.700 -0.018 0.000 0.746 538 E HN 0.203 nan 8.360 nan 0.000 0.452 539 L N 0.940 122.149 121.223 -0.022 0.000 2.056 539 L HA -0.145 4.195 4.340 -0.001 0.000 0.207 539 L C 2.003 178.863 176.870 -0.017 0.000 1.078 539 L CA 1.496 56.318 54.840 -0.030 0.000 0.749 539 L CB -0.347 41.685 42.059 -0.045 0.000 0.901 539 L HN 0.120 nan 8.230 nan 0.000 0.433 540 L N -0.606 120.613 121.223 -0.007 0.000 2.046 540 L HA -0.201 4.139 4.340 -0.001 0.000 0.208 540 L C 2.647 179.519 176.870 0.004 0.000 1.077 540 L CA 1.266 56.109 54.840 0.005 0.000 0.747 540 L CB -0.892 41.174 42.059 0.011 0.000 0.896 540 L HN 0.394 nan 8.230 nan 0.000 0.432 541 A N -0.191 122.629 122.820 0.002 0.000 1.898 541 A HA -0.120 4.200 4.320 -0.001 0.000 0.216 541 A C 2.521 180.107 177.584 0.003 0.000 1.181 541 A CA 1.562 53.599 52.037 -0.001 0.000 0.620 541 A CB -0.644 18.356 19.000 -0.000 0.000 0.819 541 A HN 0.395 nan 8.150 nan 0.000 0.442 542 A N -0.258 122.580 122.820 0.029 0.000 1.902 542 A HA -0.029 4.290 4.320 -0.001 0.000 0.217 542 A C 2.165 179.796 177.584 0.077 0.000 1.181 542 A CA 1.502 53.602 52.037 0.105 0.000 0.623 542 A CB -0.584 18.485 19.000 0.114 0.000 0.818 542 A HN 0.459 nan 8.150 nan 0.000 0.443 543 L N -1.292 119.929 121.223 -0.004 0.000 2.056 543 L HA -0.153 4.187 4.340 -0.001 0.000 0.207 543 L C 2.850 179.691 176.870 -0.048 0.000 1.078 543 L CA 1.427 56.216 54.840 -0.084 0.000 0.749 543 L CB -0.385 41.607 42.059 -0.111 0.000 0.901 543 L HN 0.312 nan 8.230 nan 0.000 0.433 544 R N -0.104 120.388 120.500 -0.015 0.000 2.075 544 R HA -0.182 4.157 4.340 -0.001 0.000 0.232 544 R C 2.345 178.610 176.300 -0.058 0.000 1.126 544 R CA 1.361 57.459 56.100 -0.004 0.000 0.963 544 R CB -0.202 30.100 30.300 0.003 0.000 0.858 544 R HN 0.245 nan 8.270 nan 0.000 0.435 545 K N 0.111 120.439 120.400 -0.119 0.000 2.025 545 K HA -0.104 4.216 4.320 -0.001 0.000 0.207 545 K C 2.070 178.446 176.600 -0.373 0.000 1.049 545 K CA 1.637 57.781 56.287 -0.238 0.000 0.933 545 K CB -0.310 32.016 32.500 -0.291 0.000 0.714 545 K HN 0.233 nan 8.250 nan 0.000 0.438 546 G N 0.642 109.205 108.800 -0.396 0.000 2.476 546 G HA2 -0.302 3.657 3.960 -0.001 0.000 0.218 546 G HA3 -0.302 3.657 3.960 -0.001 0.000 0.218 546 G C 1.587 176.430 174.900 -0.095 0.000 1.164 546 G CA 1.086 46.005 45.100 -0.301 0.000 0.768 546 G HN 0.466 nan 8.290 nan 0.000 0.560 547 A N 0.245 123.060 122.820 -0.008 0.000 2.067 547 A HA 0.074 4.393 4.320 -0.001 0.000 0.219 547 A C 2.038 179.653 177.584 0.051 0.000 1.158 547 A CA 1.710 53.819 52.037 0.119 0.000 0.661 547 A CB -0.169 18.964 19.000 0.222 0.000 0.801 547 A HN 0.490 nan 8.150 nan 0.000 0.452 548 E N -1.283 118.905 120.200 -0.020 0.000 2.498 548 E HA 0.126 4.476 4.350 -0.001 0.000 0.203 548 E C 1.260 177.828 176.600 -0.054 0.000 1.013 548 E CA -0.322 56.062 56.400 -0.027 0.000 0.927 548 E CB 0.178 29.858 29.700 -0.033 0.000 1.012 548 E HN 0.407 nan 8.360 nan 0.000 0.482 549 L N 0.485 121.652 121.223 -0.093 0.000 2.141 549 L HA 0.011 4.351 4.340 -0.001 0.000 0.209 549 L C 1.544 178.388 176.870 -0.043 0.000 1.094 549 L CA 2.132 56.906 54.840 -0.110 0.000 0.763 549 L CB -0.430 41.511 42.059 -0.196 0.000 0.908 549 L HN 0.296 nan 8.230 nan 0.000 0.437 550 G N -0.584 108.210 108.800 -0.011 0.000 2.162 550 G HA2 -0.294 3.666 3.960 -0.001 0.000 0.260 550 G HA3 -0.294 3.666 3.960 -0.001 0.000 0.260 550 G C 0.534 175.447 174.900 0.021 0.000 0.976 550 G CA 0.505 45.610 45.100 0.008 0.000 0.655 550 G HN 0.445 nan 8.290 nan 0.000 0.533 551 R N -0.246 120.272 120.500 0.029 0.000 2.739 551 R HA 0.471 4.811 4.340 -0.001 0.000 0.271 551 R C -2.752 173.601 176.300 0.088 0.000 1.010 551 R CA -1.902 54.230 56.100 0.053 0.000 0.897 551 R CB 2.242 32.573 30.300 0.052 0.000 1.236 551 R HN 0.039 nan 8.270 nan 0.000 0.466 552 P HA 0.067 nan 4.420 nan 0.000 0.268 552 P C -1.055 176.384 177.300 0.232 0.000 1.208 552 P CA 0.285 63.467 63.100 0.136 0.000 0.777 552 P CB 0.514 32.274 31.700 0.100 0.000 0.875 553 F N 1.701 121.647 119.950 -0.007 0.000 2.608 553 F HA 0.562 5.088 4.527 -0.001 0.000 0.309 553 F C -1.561 174.205 175.800 -0.057 0.000 1.103 553 F CA -1.093 56.888 58.000 -0.032 0.000 0.954 553 F CB 1.605 40.575 39.000 -0.049 0.000 1.267 553 F HN 0.158 nan 8.300 nan 0.000 0.444 554 L N 6.120 126.970 121.223 -0.621 0.000 2.365 554 L HA 0.763 5.103 4.340 -0.001 0.000 0.273 554 L C -1.619 174.858 176.870 -0.656 0.000 1.000 554 L CA -0.485 54.060 54.840 -0.491 0.000 0.819 554 L CB 1.690 43.563 42.059 -0.311 0.000 1.284 554 L HN 0.569 nan 8.230 nan 0.000 0.418 555 I N 3.983 124.288 120.570 -0.441 0.000 2.439 555 I HA 0.371 4.540 4.170 -0.001 0.000 0.285 555 I C -0.522 175.413 176.117 -0.304 0.000 1.021 555 I CA -0.409 60.684 61.300 -0.346 0.000 1.091 555 I CB 1.859 39.720 38.000 -0.232 0.000 1.242 555 I HN 0.586 nan 8.210 nan 0.000 0.439 556 E N 6.081 126.135 120.200 -0.245 0.000 2.227 556 E HA 0.553 4.902 4.350 -0.001 0.000 0.282 556 E C -1.497 175.001 176.600 -0.171 0.000 1.015 556 E CA -0.551 55.722 56.400 -0.211 0.000 0.823 556 E CB 1.615 31.250 29.700 -0.108 0.000 1.081 556 E HN 0.384 nan 8.360 nan 0.000 0.396 557 V N 6.998 126.798 119.914 -0.189 0.000 2.443 557 V HA 0.341 4.460 4.120 -0.001 0.000 0.293 557 V C -2.306 173.693 176.094 -0.160 0.000 1.021 557 V CA -1.857 60.346 62.300 -0.162 0.000 0.848 557 V CB 1.560 33.278 31.823 -0.176 0.000 0.998 557 V HN 0.705 nan 8.190 nan 0.000 0.424 558 P HA 0.286 nan 4.420 nan 0.000 0.271 558 P C -0.617 176.578 177.300 -0.176 0.000 1.220 558 P CA 0.183 63.208 63.100 -0.125 0.000 0.768 558 P CB 1.523 33.169 31.700 -0.089 0.000 0.848 559 V N 0.650 120.426 119.914 -0.230 0.000 3.102 559 V HA 0.743 4.863 4.120 -0.001 0.000 0.312 559 V C -0.896 174.957 176.094 -0.403 0.000 1.135 559 V CA -0.968 61.127 62.300 -0.343 0.000 1.022 559 V CB 2.239 33.795 31.823 -0.445 0.000 1.056 559 V HN 0.420 nan 8.190 nan 0.000 0.436 560 N N -0.514 117.889 118.700 -0.496 0.000 2.357 560 N HA 0.719 5.459 4.740 -0.001 0.000 0.284 560 N C -2.060 173.086 175.510 -0.607 0.000 1.236 560 N CA -0.480 52.270 53.050 -0.500 0.000 0.774 560 N CB 2.111 40.432 38.487 -0.277 0.000 1.534 560 N HN 0.784 nan 8.380 nan 0.000 0.478 561 Y N -0.214 119.956 120.300 -0.217 0.000 2.377 561 Y HA 0.354 4.904 4.550 -0.000 0.000 0.339 561 Y C -0.396 175.330 175.900 -0.289 0.000 1.011 561 Y CA -0.768 57.209 58.100 -0.205 0.000 1.093 561 Y CB 1.355 39.680 38.460 -0.226 0.000 1.201 561 Y HN 0.308 nan 8.280 nan 0.000 0.455 562 D N 4.204 124.682 120.400 0.131 0.000 2.499 562 D HA 0.175 4.814 4.640 -0.001 0.000 0.225 562 D C -0.622 175.876 176.300 0.331 0.000 1.124 562 D CA 0.019 54.106 54.000 0.145 0.000 0.938 562 D CB 0.137 41.042 40.800 0.176 0.000 1.014 562 D HN 0.393 nan 8.370 nan 0.000 0.517 563 F N 0.852 120.974 119.950 0.287 0.000 2.484 563 F HA 0.090 4.617 4.527 -0.000 0.000 0.360 563 F C 1.369 177.316 175.800 0.245 0.000 1.101 563 F CA -0.248 57.904 58.000 0.254 0.000 1.251 563 F CB 0.900 39.965 39.000 0.107 0.000 1.132 563 F HN -0.025 nan 8.300 nan 0.000 0.570 564 Q N 5.046 125.162 119.800 0.527 0.000 2.907 564 Q HA 0.169 4.509 4.340 -0.001 0.000 0.262 564 Q C -1.726 174.482 176.000 0.347 0.000 0.997 564 Q CA -1.687 54.317 55.803 0.335 0.000 0.797 564 Q CB 1.147 30.020 28.738 0.225 0.000 1.228 564 Q HN 0.332 nan 8.270 nan 0.000 0.466 565 P HA -0.154 nan 4.420 nan 0.000 0.219 565 P C 0.984 178.398 177.300 0.191 0.000 1.146 565 P CA 1.088 64.296 63.100 0.180 0.000 0.808 565 P CB 0.335 32.031 31.700 -0.007 0.000 0.779 566 G N -0.214 108.666 108.800 0.134 0.000 2.744 566 G HA2 -0.003 3.957 3.960 -0.001 0.000 0.211 566 G HA3 -0.003 3.957 3.960 -0.001 0.000 0.211 566 G C 1.421 176.337 174.900 0.027 0.000 1.143 566 G CA 0.490 45.638 45.100 0.080 0.000 0.788 566 G HN 0.424 nan 8.290 nan 0.000 0.534 567 G N -0.232 108.548 108.800 -0.034 0.000 3.371 567 G HA2 0.310 4.270 3.960 -0.001 0.000 0.248 567 G HA3 0.310 4.270 3.960 -0.001 0.000 0.248 567 G C 0.154 174.784 174.900 -0.450 0.000 1.161 567 G CA -0.377 44.578 45.100 -0.243 0.000 0.796 567 G HN 0.282 nan 8.290 nan 0.000 0.539 568 F N 0.576 120.476 119.950 -0.083 0.000 2.850 568 F HA 0.300 4.826 4.527 -0.001 0.000 0.306 568 F C 2.020 177.723 175.800 -0.162 0.000 1.162 568 F CA -0.571 57.340 58.000 -0.149 0.000 1.327 568 F CB 0.918 39.777 39.000 -0.234 0.000 0.953 568 F HN 0.091 nan 8.300 nan 0.000 0.507 569 G N 0.273 109.063 108.800 -0.017 0.000 2.448 569 G HA2 -0.218 3.741 3.960 -0.001 0.000 0.219 569 G HA3 -0.218 3.741 3.960 -0.001 0.000 0.219 569 G C 1.861 176.731 174.900 -0.050 0.000 1.127 569 G CA 0.866 45.946 45.100 -0.033 0.000 0.766 569 G HN 0.434 nan 8.290 nan 0.000 0.552 570 A N 0.295 123.079 122.820 -0.059 0.000 2.178 570 A HA 0.176 4.496 4.320 -0.001 0.000 0.218 570 A C 2.185 179.712 177.584 -0.093 0.000 1.157 570 A CA 0.711 52.707 52.037 -0.068 0.000 0.689 570 A CB -0.228 18.740 19.000 -0.053 0.000 0.787 570 A HN 0.398 nan 8.150 nan 0.000 0.465 571 L N -0.241 120.913 121.223 -0.115 0.000 2.492 571 L HA 0.032 4.372 4.340 -0.001 0.000 0.223 571 L C 0.686 177.506 176.870 -0.084 0.000 1.132 571 L CA -0.274 54.477 54.840 -0.148 0.000 0.850 571 L CB -0.271 41.651 42.059 -0.229 0.000 0.966 571 L HN 0.144 nan 8.230 nan 0.000 0.454 572 S N 0.479 116.139 115.700 -0.066 0.000 2.552 572 S HA 0.272 4.742 4.470 -0.001 0.000 0.289 572 S C 0.140 174.709 174.600 -0.052 0.000 1.304 572 S CA 0.158 58.327 58.200 -0.052 0.000 1.063 572 S CB 0.768 63.939 63.200 -0.048 0.000 0.848 572 S HN 0.062 nan 8.310 nan 0.000 0.499 573 I N 0.000 120.545 120.570 -0.041 0.000 2.984 573 I HA 0.000 4.170 4.170 -0.001 0.000 0.288 573 I CA 0.000 61.282 61.300 -0.030 0.000 1.566 573 I CB 0.000 37.984 38.000 -0.027 0.000 1.214 573 I HN 0.000 nan 8.210 nan 0.000 0.494