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 3b7s_1_A DATA FIRST_RESID 1 DATA SEQUENCE PEIVDTCSLA SPASVCRTKH LHLRCSVDFT RRTLTGTAAL TVQSQEDNLR DATA SEQUENCE SLVLDTKDLT IEKVVINGQE VKYALGERQS YKGSPMEISL PIALSKNQEI DATA SEQUENCE VIEISFETSP KSSALQWLTP EQTSGKEHPY LFSQCQAIHC RAILPCQDTP DATA SEQUENCE SVKLTYTAEV SVPKELVALM SAIRDGETPD PEDPSRKIYK FIQKVPIPCY DATA SEQUENCE LIALVVGALE SRQIGPRTLV WSEKEQVEKS AYEFSETESM LKIAEDLGGP DATA SEQUENCE YVWGQYDLLV LPPSFPYGGM ENPCLTFVTP TLLAGDKSLS NVIAHQISHS DATA SEQUENCE WTGNLVTNKT WDHFWLNEGH TVYLERHICG RLFGEKFRHF NALGGWGELQ DATA SEQUENCE NSVKTFGETH PFTKLVVDLT DIDPDVAYSS VPYEKGFALL FYLEQLLGGP DATA SEQUENCE EIFLGFLKAY VEKFSYKSIT TDDWKDFLYS YFKDKVDVLN QVDWNAWLYS DATA SEQUENCE PGLPPIKPNY DMTLTNACIA LSQRWITAKE DDLNSFNATD LKDLSSHQLN DATA SEQUENCE EFLAQTLQRA PLPLGHIKRM QEVYNFNAIN NSEIRFRWLR LCIQSKWEDA DATA SEQUENCE IPLALKMATE QGRMKFTRPL FKDLAAFDKS HDQAVRTYQE HKASMHPVTA DATA SEQUENCE MLVGKDLKVD VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 P HA 0.000 nan 4.420 nan 0.000 0.216 1 P C 0.000 177.308 177.300 0.013 0.000 1.155 1 P CA 0.000 63.108 63.100 0.013 0.000 0.800 1 P CB 0.000 31.708 31.700 0.014 0.000 0.726 2 E N 1.121 121.328 120.200 0.012 0.000 2.250 2 E HA 0.656 5.002 4.350 -0.008 0.000 0.269 2 E C -0.012 176.597 176.600 0.016 0.000 1.018 2 E CA -1.227 55.179 56.400 0.011 0.000 0.873 2 E CB 2.204 31.909 29.700 0.010 0.000 1.134 2 E HN 0.439 nan 8.360 nan 0.000 0.403 3 I N -0.365 120.214 120.570 0.014 0.000 2.577 3 I HA 0.380 4.545 4.170 -0.008 0.000 0.305 3 I C -1.021 175.113 176.117 0.029 0.000 0.986 3 I CA -1.133 60.182 61.300 0.025 0.000 1.189 3 I CB 1.499 39.511 38.000 0.020 0.000 1.355 3 I HN 0.261 nan 8.210 nan 0.000 0.476 4 V N 5.341 125.281 119.914 0.044 0.000 2.383 4 V HA 0.235 4.350 4.120 -0.008 0.000 0.275 4 V C -0.272 175.853 176.094 0.050 0.000 1.036 4 V CA -0.368 61.957 62.300 0.042 0.000 0.889 4 V CB 0.940 32.790 31.823 0.044 0.000 0.985 4 V HN 0.690 nan 8.190 nan 0.000 0.459 5 D N 3.862 124.285 120.400 0.038 0.000 2.456 5 D HA 0.123 4.758 4.640 -0.008 0.000 0.219 5 D C 1.331 177.666 176.300 0.058 0.000 1.126 5 D CA -0.165 53.861 54.000 0.044 0.000 0.890 5 D CB 1.431 42.244 40.800 0.020 0.000 1.025 5 D HN 0.705 nan 8.370 nan 0.000 0.511 6 T N -0.519 114.079 114.554 0.074 0.000 3.160 6 T HA -0.029 4.317 4.350 -0.008 0.000 0.257 6 T C 1.595 176.351 174.700 0.094 0.000 1.147 6 T CA 0.021 62.165 62.100 0.073 0.000 1.064 6 T CB -0.404 68.509 68.868 0.076 0.000 0.949 6 T HN 0.384 nan 8.240 nan 0.000 0.526 7 C N 1.244 120.618 119.300 0.123 0.000 2.791 7 C HA 0.516 4.971 4.460 -0.008 0.000 0.270 7 C C 1.274 176.320 174.990 0.093 0.000 1.257 7 C CA -0.658 58.448 59.018 0.148 0.000 1.699 7 C CB -1.068 26.811 27.740 0.232 0.000 1.904 7 C HN 0.618 nan 8.230 nan 0.000 0.603 8 S N -0.208 115.531 115.700 0.065 0.000 2.503 8 S HA 0.644 5.110 4.470 -0.008 0.000 0.301 8 S C 0.219 174.823 174.600 0.008 0.000 1.087 8 S CA -0.542 57.679 58.200 0.034 0.000 1.042 8 S CB 0.765 63.991 63.200 0.043 0.000 1.043 8 S HN 0.391 nan 8.310 nan 0.000 0.489 9 L N 2.729 123.946 121.223 -0.010 0.000 2.640 9 L HA 0.401 4.737 4.340 -0.008 0.000 0.230 9 L C 1.237 178.102 176.870 -0.008 0.000 1.123 9 L CA -0.176 54.654 54.840 -0.016 0.000 0.900 9 L CB -0.436 41.604 42.059 -0.032 0.000 1.146 9 L HN 0.678 nan 8.230 nan 0.000 0.484 10 A N 0.038 122.855 122.820 -0.004 0.000 2.313 10 A HA 0.381 4.697 4.320 -0.008 0.000 0.261 10 A C 0.625 178.210 177.584 0.001 0.000 1.090 10 A CA -0.213 51.822 52.037 -0.003 0.000 0.807 10 A CB 0.271 19.268 19.000 -0.005 0.000 1.055 10 A HN 0.169 nan 8.150 nan 0.000 0.492 11 S N 2.480 118.181 115.700 0.001 0.000 2.558 11 S HA 0.226 4.692 4.470 -0.008 0.000 0.293 11 S C -1.955 172.647 174.600 0.004 0.000 1.292 11 S CA -0.275 57.927 58.200 0.004 0.000 1.063 11 S CB -0.238 62.965 63.200 0.004 0.000 0.831 11 S HN 0.636 nan 8.310 nan 0.000 0.499 12 P HA 0.264 nan 4.420 nan 0.000 0.276 12 P C 0.303 177.605 177.300 0.003 0.000 1.261 12 P CA -0.521 62.581 63.100 0.004 0.000 0.800 12 P CB 0.629 32.333 31.700 0.006 0.000 1.066 13 A N 1.054 123.874 122.820 0.000 0.000 2.070 13 A HA -0.147 4.168 4.320 -0.008 0.000 0.220 13 A C 2.038 179.623 177.584 0.002 0.000 1.159 13 A CA 2.013 54.050 52.037 -0.000 0.000 0.656 13 A CB -1.641 17.357 19.000 -0.004 0.000 0.800 13 A HN 0.645 nan 8.150 nan 0.000 0.453 14 S N -1.102 114.600 115.700 0.003 0.000 2.489 14 S HA 0.013 4.478 4.470 -0.008 0.000 0.228 14 S C 1.488 176.091 174.600 0.004 0.000 0.995 14 S CA 1.082 59.285 58.200 0.004 0.000 0.934 14 S CB -0.189 63.014 63.200 0.005 0.000 0.771 14 S HN 0.231 nan 8.310 nan 0.000 0.522 15 V N -0.419 119.498 119.914 0.005 0.000 2.581 15 V HA 0.298 4.414 4.120 -0.008 0.000 0.240 15 V C 1.065 177.162 176.094 0.005 0.000 1.054 15 V CA 0.476 62.779 62.300 0.005 0.000 1.076 15 V CB 0.309 32.135 31.823 0.006 0.000 0.748 15 V HN 0.675 nan 8.190 nan 0.000 0.474 16 C N -0.759 118.544 119.300 0.005 0.000 3.285 16 C HA 0.659 5.115 4.460 -0.008 0.000 0.325 16 C C -1.174 173.819 174.990 0.006 0.000 1.304 16 C CA -0.975 58.046 59.018 0.006 0.000 1.319 16 C CB 1.893 29.636 27.740 0.006 0.000 1.640 16 C HN 0.510 nan 8.230 nan 0.000 0.477 17 R N 1.707 122.212 120.500 0.008 0.000 2.574 17 R HA 0.501 4.836 4.340 -0.008 0.000 0.288 17 R C -0.994 175.314 176.300 0.014 0.000 1.004 17 R CA -0.416 55.689 56.100 0.009 0.000 0.895 17 R CB 2.030 32.335 30.300 0.008 0.000 1.191 17 R HN 0.705 nan 8.270 nan 0.000 0.444 18 T N 3.645 118.207 114.554 0.014 0.000 2.834 18 T HA 0.093 4.439 4.350 -0.008 0.000 0.298 18 T C 0.962 175.684 174.700 0.036 0.000 0.966 18 T CA -0.263 61.851 62.100 0.022 0.000 1.141 18 T CB 0.718 69.592 68.868 0.009 0.000 0.905 18 T HN 0.278 nan 8.240 nan 0.000 0.535 19 K N 1.632 122.067 120.400 0.058 0.000 2.335 19 K HA 0.144 4.460 4.320 -0.008 0.000 0.195 19 K C 0.456 177.147 176.600 0.151 0.000 1.058 19 K CA 0.523 56.857 56.287 0.078 0.000 0.988 19 K CB 0.242 32.780 32.500 0.064 0.000 0.880 19 K HN 0.737 nan 8.250 nan 0.000 0.513 20 H N -1.022 118.072 119.070 0.041 0.000 3.079 20 H HA 0.466 5.017 4.556 -0.008 0.000 0.356 20 H C -2.021 173.359 175.328 0.087 0.000 1.221 20 H CA -0.988 55.102 56.048 0.070 0.000 1.185 20 H CB 1.348 31.146 29.762 0.060 0.000 1.882 20 H HN -0.088 nan 8.280 nan 0.000 0.543 21 L N 3.794 124.778 121.223 -0.397 0.000 2.356 21 L HA 0.431 4.766 4.340 -0.008 0.000 0.277 21 L C -1.502 175.266 176.870 -0.169 0.000 0.996 21 L CA -0.464 54.267 54.840 -0.182 0.000 0.822 21 L CB 1.128 43.099 42.059 -0.145 0.000 1.256 21 L HN 0.825 nan 8.230 nan 0.000 0.413 22 H N 4.610 123.693 119.070 0.020 0.000 2.638 22 H HA 0.569 5.120 4.556 -0.008 0.000 0.303 22 H C -1.494 173.894 175.328 0.100 0.000 1.034 22 H CA -0.444 55.677 56.048 0.122 0.000 1.225 22 H CB 1.215 31.096 29.762 0.200 0.000 1.394 22 H HN 0.675 nan 8.280 nan 0.000 0.477 23 L N 5.379 126.463 121.223 -0.232 0.000 2.272 23 L HA 0.486 4.821 4.340 -0.008 0.000 0.289 23 L C -0.585 176.135 176.870 -0.250 0.000 1.032 23 L CA -0.373 54.374 54.840 -0.155 0.000 0.810 23 L CB 0.774 42.800 42.059 -0.056 0.000 1.205 23 L HN 0.698 nan 8.230 nan 0.000 0.422 24 R N 5.467 125.874 120.500 -0.156 0.000 2.409 24 R HA 0.717 5.052 4.340 -0.008 0.000 0.313 24 R C -1.299 174.968 176.300 -0.054 0.000 0.953 24 R CA -0.390 55.647 56.100 -0.106 0.000 0.849 24 R CB 0.714 30.969 30.300 -0.075 0.000 1.171 24 R HN 0.943 nan 8.270 nan 0.000 0.458 25 C N 0.220 119.503 119.300 -0.028 0.000 3.291 25 C HA 0.806 5.261 4.460 -0.008 0.000 0.316 25 C C -0.846 174.135 174.990 -0.014 0.000 1.391 25 C CA -0.938 58.049 59.018 -0.051 0.000 1.394 25 C CB 1.722 29.437 27.740 -0.042 0.000 1.744 25 C HN 0.706 nan 8.230 nan 0.000 0.461 26 S N 0.073 115.752 115.700 -0.035 0.000 2.538 26 S HA 0.723 5.189 4.470 -0.008 0.000 0.288 26 S C -1.158 173.440 174.600 -0.003 0.000 1.108 26 S CA -0.321 57.878 58.200 -0.002 0.000 0.971 26 S CB 1.392 64.588 63.200 -0.008 0.000 1.041 26 S HN 1.026 nan 8.310 nan 0.000 0.483 27 V N 4.711 124.636 119.914 0.018 0.000 2.348 27 V HA 0.344 4.459 4.120 -0.008 0.000 0.270 27 V C -0.228 175.859 176.094 -0.011 0.000 1.037 27 V CA -0.611 61.683 62.300 -0.011 0.000 0.872 27 V CB 1.158 32.921 31.823 -0.100 0.000 1.002 27 V HN 0.838 nan 8.190 nan 0.000 0.464 28 D N 4.114 124.507 120.400 -0.011 0.000 2.467 28 D HA 0.280 4.915 4.640 -0.008 0.000 0.220 28 D C 0.580 176.814 176.300 -0.109 0.000 1.103 28 D CA -0.408 53.575 54.000 -0.028 0.000 0.886 28 D CB 0.822 41.586 40.800 -0.060 0.000 1.025 28 D HN 0.357 nan 8.370 nan 0.000 0.514 29 F N 1.028 121.041 119.950 0.104 0.000 2.407 29 F HA -0.100 4.422 4.527 -0.008 0.000 0.299 29 F C 2.675 178.430 175.800 -0.075 0.000 1.097 29 F CA 1.179 59.229 58.000 0.082 0.000 1.422 29 F CB -0.149 38.968 39.000 0.194 0.000 1.067 29 F HN 0.400 nan 8.300 nan 0.000 0.539 30 T N -2.156 112.450 114.554 0.086 0.000 2.985 30 T HA -0.076 4.269 4.350 -0.008 0.000 0.266 30 T C 1.890 176.532 174.700 -0.097 0.000 1.076 30 T CA 0.812 62.919 62.100 0.010 0.000 1.135 30 T CB -0.174 68.704 68.868 0.016 0.000 0.890 30 T HN 0.249 nan 8.240 nan 0.000 0.480 31 R N 0.342 120.738 120.500 -0.174 0.000 2.334 31 R HA 0.361 4.696 4.340 -0.008 0.000 0.212 31 R C 0.284 176.312 176.300 -0.453 0.000 0.897 31 R CA -0.314 55.644 56.100 -0.236 0.000 1.056 31 R CB 0.200 30.396 30.300 -0.172 0.000 1.046 31 R HN 0.279 nan 8.270 nan 0.000 0.513 32 R N 1.336 121.367 120.500 -0.782 0.000 3.333 32 R HA -0.141 4.194 4.340 -0.008 0.000 0.256 32 R C -0.670 174.914 176.300 -1.193 0.000 1.010 32 R CA 1.184 56.228 56.100 -1.760 0.000 0.680 32 R CB -2.187 27.197 30.300 -1.528 0.000 1.102 32 R HN 0.359 nan 8.270 nan 0.000 0.440 33 T N -2.627 111.550 114.554 -0.628 0.000 2.900 33 T HA 0.637 4.983 4.350 -0.008 0.000 0.295 33 T C -0.177 174.580 174.700 0.094 0.000 1.044 33 T CA -1.098 60.922 62.100 -0.135 0.000 0.995 33 T CB 2.464 71.259 68.868 -0.123 0.000 1.072 33 T HN 0.209 nan 8.240 nan 0.000 0.473 34 L N 3.177 124.502 121.223 0.170 0.000 2.282 34 L HA 0.682 5.018 4.340 -0.008 0.000 0.288 34 L C 0.071 176.896 176.870 -0.075 0.000 1.033 34 L CA -0.251 54.635 54.840 0.076 0.000 0.807 34 L CB 1.249 43.380 42.059 0.122 0.000 1.209 34 L HN 1.122 nan 8.230 nan 0.000 0.423 35 T N 1.304 115.755 114.554 -0.172 0.000 2.863 35 T HA 0.952 5.297 4.350 -0.008 0.000 0.285 35 T C -0.143 174.314 174.700 -0.405 0.000 1.009 35 T CA -0.064 61.843 62.100 -0.323 0.000 0.989 35 T CB 1.992 70.748 68.868 -0.187 0.000 1.004 35 T HN 0.917 nan 8.240 nan 0.000 0.455 36 G N 1.421 109.830 108.800 -0.652 0.000 2.360 36 G HA2 0.537 4.492 3.960 -0.008 0.000 0.276 36 G HA3 0.537 4.492 3.960 -0.008 0.000 0.276 36 G C -0.889 173.764 174.900 -0.412 0.000 1.256 36 G CA -0.214 44.620 45.100 -0.442 0.000 0.890 36 G HN 1.383 nan 8.290 nan 0.000 0.486 37 T N -2.052 112.430 114.554 -0.119 0.000 2.861 37 T HA 0.791 5.136 4.350 -0.008 0.000 0.287 37 T C -0.307 174.523 174.700 0.217 0.000 1.003 37 T CA 0.185 62.331 62.100 0.077 0.000 0.977 37 T CB 1.878 70.775 68.868 0.048 0.000 0.996 37 T HN 1.946 nan 8.240 nan 0.000 0.448 38 A N 2.166 125.167 122.820 0.303 0.000 2.267 38 A HA 0.789 5.104 4.320 -0.008 0.000 0.315 38 A C 0.336 177.976 177.584 0.093 0.000 1.297 38 A CA -0.907 51.220 52.037 0.149 0.000 0.865 38 A CB 0.043 19.056 19.000 0.021 0.000 1.165 38 A HN 1.381 nan 8.150 nan 0.000 0.513 39 A N 3.857 126.744 122.820 0.111 0.000 2.294 39 A HA 0.609 4.925 4.320 -0.008 0.000 0.316 39 A C -0.347 177.305 177.584 0.114 0.000 1.359 39 A CA -0.282 51.832 52.037 0.127 0.000 0.956 39 A CB -0.260 18.856 19.000 0.192 0.000 1.155 39 A HN 0.798 nan 8.150 nan 0.000 0.544 40 L N 2.727 123.990 121.223 0.067 0.000 2.264 40 L HA 0.318 4.653 4.340 -0.008 0.000 0.289 40 L C 0.206 177.119 176.870 0.072 0.000 1.044 40 L CA -0.319 54.554 54.840 0.056 0.000 0.807 40 L CB 1.453 43.520 42.059 0.014 0.000 1.192 40 L HN 0.557 nan 8.230 nan 0.000 0.425 41 T N 3.273 117.890 114.554 0.104 0.000 2.727 41 T HA 0.347 4.692 4.350 -0.008 0.000 0.295 41 T C 0.055 174.792 174.700 0.061 0.000 0.915 41 T CA -0.244 61.908 62.100 0.087 0.000 1.066 41 T CB 0.813 69.750 68.868 0.115 0.000 0.891 41 T HN 0.202 nan 8.240 nan 0.000 0.516 42 V N 4.418 124.356 119.914 0.039 0.000 2.495 42 V HA 0.413 4.528 4.120 -0.008 0.000 0.298 42 V C -0.035 176.071 176.094 0.020 0.000 1.031 42 V CA -0.924 61.392 62.300 0.027 0.000 0.871 42 V CB 1.884 33.719 31.823 0.020 0.000 0.988 42 V HN 0.771 nan 8.190 nan 0.000 0.432 43 Q N 2.470 122.280 119.800 0.016 0.000 2.325 43 Q HA 0.422 4.757 4.340 -0.008 0.000 0.262 43 Q C -0.079 175.925 176.000 0.008 0.000 0.968 43 Q CA -0.191 55.618 55.803 0.010 0.000 0.877 43 Q CB 1.564 30.306 28.738 0.008 0.000 1.253 43 Q HN 0.809 nan 8.270 nan 0.000 0.448 44 S N 2.708 118.412 115.700 0.007 0.000 2.549 44 S HA 0.034 4.499 4.470 -0.008 0.000 0.283 44 S C 0.415 175.018 174.600 0.004 0.000 1.320 44 S CA 0.008 58.212 58.200 0.006 0.000 1.058 44 S CB 0.608 63.811 63.200 0.006 0.000 0.882 44 S HN 0.700 nan 8.310 nan 0.000 0.498 45 Q N 2.321 122.124 119.800 0.004 0.000 2.219 45 Q HA 0.323 4.659 4.340 -0.008 0.000 0.209 45 Q C -0.426 175.577 176.000 0.004 0.000 0.854 45 Q CA 0.298 56.103 55.803 0.003 0.000 0.960 45 Q CB 0.526 29.267 28.738 0.004 0.000 1.116 45 Q HN 0.726 nan 8.270 nan 0.000 0.500 46 E N 0.354 120.557 120.200 0.004 0.000 2.343 46 E HA 0.253 4.598 4.350 -0.008 0.000 0.270 46 E C -1.338 175.264 176.600 0.004 0.000 0.895 46 E CA -0.730 55.673 56.400 0.004 0.000 0.767 46 E CB 1.659 31.362 29.700 0.005 0.000 1.248 46 E HN -0.085 nan 8.360 nan 0.000 0.440 47 D N 0.737 121.139 120.400 0.003 0.000 2.399 47 D HA 0.004 4.639 4.640 -0.008 0.000 0.241 47 D C 0.148 176.451 176.300 0.004 0.000 1.133 47 D CA 0.497 54.499 54.000 0.003 0.000 0.890 47 D CB 0.372 41.173 40.800 0.003 0.000 1.201 47 D HN 0.470 nan 8.370 nan 0.000 0.432 48 N N 1.444 120.146 118.700 0.004 0.000 2.727 48 N HA -0.211 4.524 4.740 -0.008 0.000 0.249 48 N C -1.299 174.214 175.510 0.006 0.000 1.048 48 N CA 0.154 53.206 53.050 0.005 0.000 0.714 48 N CB -1.152 37.338 38.487 0.004 0.000 0.959 48 N HN 0.396 nan 8.380 nan 0.000 0.544 49 L N 0.637 121.864 121.223 0.007 0.000 2.361 49 L HA 0.297 4.633 4.340 -0.008 0.000 0.278 49 L C 1.210 178.086 176.870 0.010 0.000 1.113 49 L CA 0.572 55.417 54.840 0.008 0.000 0.849 49 L CB 0.542 42.606 42.059 0.008 0.000 1.155 49 L HN 0.249 nan 8.230 nan 0.000 0.452 50 R N 2.160 122.666 120.500 0.010 0.000 2.509 50 R HA 0.286 4.621 4.340 -0.008 0.000 0.297 50 R C -0.439 175.870 176.300 0.016 0.000 0.951 50 R CA 0.399 56.507 56.100 0.012 0.000 1.103 50 R CB 0.437 30.744 30.300 0.011 0.000 1.283 50 R HN 0.788 nan 8.270 nan 0.000 0.534 51 S N 0.065 115.775 115.700 0.016 0.000 2.588 51 S HA 0.683 5.148 4.470 -0.008 0.000 0.269 51 S C -1.251 173.359 174.600 0.017 0.000 1.157 51 S CA -1.060 57.152 58.200 0.019 0.000 0.824 51 S CB 1.742 64.954 63.200 0.020 0.000 1.126 51 S HN 0.105 nan 8.310 nan 0.000 0.464 52 L N -1.602 119.633 121.223 0.020 0.000 2.600 52 L HA 0.997 5.332 4.340 -0.008 0.000 0.257 52 L C -1.726 175.153 176.870 0.016 0.000 1.048 52 L CA -0.997 53.851 54.840 0.015 0.000 0.869 52 L CB 1.298 43.364 42.059 0.011 0.000 1.482 52 L HN 0.576 nan 8.230 nan 0.000 0.408 53 V N 1.593 121.512 119.914 0.010 0.000 2.588 53 V HA 0.643 4.759 4.120 -0.008 0.000 0.304 53 V C -0.278 175.814 176.094 -0.003 0.000 1.042 53 V CA -0.396 61.908 62.300 0.008 0.000 0.877 53 V CB 1.613 33.440 31.823 0.006 0.000 0.996 53 V HN 0.709 nan 8.190 nan 0.000 0.425 54 L N 2.479 123.696 121.223 -0.010 0.000 2.333 54 L HA 0.631 4.966 4.340 -0.008 0.000 0.269 54 L C -0.369 176.483 176.870 -0.030 0.000 1.010 54 L CA -0.858 53.966 54.840 -0.026 0.000 0.818 54 L CB 1.900 43.931 42.059 -0.046 0.000 1.306 54 L HN 0.525 nan 8.230 nan 0.000 0.430 55 D N 1.199 121.577 120.400 -0.036 0.000 2.345 55 D HA 0.367 5.002 4.640 -0.008 0.000 0.247 55 D C -0.090 176.174 176.300 -0.060 0.000 1.108 55 D CA 0.343 54.318 54.000 -0.041 0.000 0.894 55 D CB 1.797 42.577 40.800 -0.033 0.000 1.203 55 D HN 0.637 nan 8.370 nan 0.000 0.430 56 T N -1.384 113.138 114.554 -0.052 0.000 2.868 56 T HA 0.557 4.903 4.350 -0.008 0.000 0.306 56 T C -0.815 173.863 174.700 -0.036 0.000 1.224 56 T CA -1.076 60.989 62.100 -0.058 0.000 1.012 56 T CB 2.575 71.413 68.868 -0.050 0.000 1.221 56 T HN 0.295 nan 8.240 nan 0.000 0.499 57 K N 1.270 121.655 120.400 -0.024 0.000 2.652 57 K HA 0.332 4.647 4.320 -0.008 0.000 0.249 57 K C -1.007 175.602 176.600 0.016 0.000 0.986 57 K CA -0.469 55.817 56.287 -0.002 0.000 0.867 57 K CB 0.702 33.208 32.500 0.010 0.000 1.201 57 K HN 0.806 nan 8.250 nan 0.000 0.450 58 D N 2.705 123.116 120.400 0.019 0.000 2.772 58 D HA -0.204 4.431 4.640 -0.008 0.000 0.233 58 D C -0.477 175.848 176.300 0.041 0.000 1.143 58 D CA 1.034 55.051 54.000 0.029 0.000 0.700 58 D CB -0.767 40.052 40.800 0.032 0.000 1.076 58 D HN 0.447 nan 8.370 nan 0.000 0.430 59 L N 0.215 121.462 121.223 0.039 0.000 2.322 59 L HA 0.354 4.690 4.340 -0.008 0.000 0.279 59 L C 0.889 177.804 176.870 0.075 0.000 1.036 59 L CA -0.422 54.459 54.840 0.068 0.000 0.807 59 L CB 1.735 43.816 42.059 0.037 0.000 1.226 59 L HN -0.214 nan 8.230 nan 0.000 0.433 60 T N 3.899 118.512 114.554 0.099 0.000 2.744 60 T HA 0.466 4.811 4.350 -0.008 0.000 0.291 60 T C 0.008 174.771 174.700 0.104 0.000 0.957 60 T CA -0.359 61.792 62.100 0.085 0.000 1.002 60 T CB 0.797 69.699 68.868 0.057 0.000 0.919 60 T HN 0.172 nan 8.240 nan 0.000 0.468 61 I N 3.286 123.912 120.570 0.093 0.000 2.336 61 I HA 0.279 4.445 4.170 -0.008 0.000 0.292 61 I C 1.328 177.494 176.117 0.080 0.000 0.991 61 I CA -0.371 60.956 61.300 0.045 0.000 1.227 61 I CB 1.424 39.372 38.000 -0.087 0.000 1.366 61 I HN 0.809 nan 8.210 nan 0.000 0.466 62 E N 6.575 126.799 120.200 0.041 0.000 2.075 62 E HA 0.011 4.357 4.350 -0.008 0.000 0.190 62 E C 0.018 176.672 176.600 0.090 0.000 0.969 62 E CA 0.817 57.255 56.400 0.063 0.000 0.815 62 E CB 0.736 30.450 29.700 0.023 0.000 0.776 62 E HN 0.735 nan 8.360 nan 0.000 0.457 63 K N -1.578 118.827 120.400 0.008 0.000 2.711 63 K HA 0.395 4.710 4.320 -0.008 0.000 0.294 63 K C -1.578 174.962 176.600 -0.100 0.000 1.037 63 K CA -0.865 55.439 56.287 0.029 0.000 0.858 63 K CB 1.668 34.211 32.500 0.072 0.000 1.521 63 K HN -0.116 nan 8.250 nan 0.000 0.386 64 V N 1.204 121.090 119.914 -0.048 0.000 2.577 64 V HA 0.474 4.589 4.120 -0.008 0.000 0.303 64 V C -1.010 175.099 176.094 0.025 0.000 1.042 64 V CA -0.790 61.478 62.300 -0.052 0.000 0.872 64 V CB 1.687 33.453 31.823 -0.096 0.000 0.998 64 V HN 0.568 nan 8.190 nan 0.000 0.423 65 V N 6.259 126.186 119.914 0.022 0.000 2.540 65 V HA 0.620 4.735 4.120 -0.008 0.000 0.302 65 V C -0.461 175.652 176.094 0.031 0.000 1.035 65 V CA -0.420 61.900 62.300 0.033 0.000 0.873 65 V CB 2.005 33.847 31.823 0.032 0.000 0.992 65 V HN 0.731 nan 8.190 nan 0.000 0.428 66 I N 3.946 124.535 120.570 0.032 0.000 2.569 66 I HA 0.501 4.667 4.170 -0.008 0.000 0.290 66 I C -0.071 176.061 176.117 0.026 0.000 1.088 66 I CA -0.749 60.568 61.300 0.029 0.000 1.047 66 I CB 2.182 40.199 38.000 0.028 0.000 1.237 66 I HN 0.624 nan 8.210 nan 0.000 0.421 67 N N 4.181 122.894 118.700 0.022 0.000 2.725 67 N HA -0.193 4.543 4.740 -0.008 0.000 0.249 67 N C 0.904 176.425 175.510 0.019 0.000 1.103 67 N CA 1.396 54.457 53.050 0.018 0.000 0.707 67 N CB -1.133 37.364 38.487 0.016 0.000 1.043 67 N HN 1.220 nan 8.380 nan 0.000 0.553 68 G N -1.264 107.548 108.800 0.021 0.000 2.168 68 G HA2 -0.344 3.611 3.960 -0.008 0.000 0.263 68 G HA3 -0.344 3.611 3.960 -0.008 0.000 0.263 68 G C -0.128 174.785 174.900 0.023 0.000 0.977 68 G CA 0.966 46.078 45.100 0.021 0.000 0.659 68 G HN 0.590 nan 8.290 nan 0.000 0.533 69 Q N -0.281 119.534 119.800 0.026 0.000 2.413 69 Q HA 0.510 4.846 4.340 -0.008 0.000 0.276 69 Q C -0.399 175.623 176.000 0.037 0.000 1.099 69 Q CA -0.873 54.947 55.803 0.028 0.000 0.814 69 Q CB 1.820 30.573 28.738 0.025 0.000 1.379 69 Q HN 0.494 nan 8.270 nan 0.000 0.436 70 E N 0.924 121.150 120.200 0.043 0.000 2.383 70 E HA 0.258 4.603 4.350 -0.008 0.000 0.264 70 E C -0.436 176.205 176.600 0.067 0.000 1.050 70 E CA -0.270 56.167 56.400 0.062 0.000 0.896 70 E CB 1.010 30.752 29.700 0.070 0.000 0.982 70 E HN 0.358 nan 8.360 nan 0.000 0.424 71 V N -1.058 118.913 119.914 0.094 0.000 3.074 71 V HA 0.456 4.571 4.120 -0.008 0.000 0.314 71 V C -0.500 175.683 176.094 0.149 0.000 1.117 71 V CA -1.277 61.081 62.300 0.096 0.000 1.014 71 V CB 1.688 33.559 31.823 0.081 0.000 1.057 71 V HN 0.497 nan 8.190 nan 0.000 0.438 72 K N 2.177 122.636 120.400 0.097 0.000 2.382 72 K HA 0.480 4.796 4.320 -0.008 0.000 0.275 72 K C -1.001 175.688 176.600 0.149 0.000 1.009 72 K CA 0.141 56.466 56.287 0.062 0.000 0.970 72 K CB 0.504 33.008 32.500 0.007 0.000 0.934 72 K HN 0.875 nan 8.250 nan 0.000 0.479 73 Y N -1.579 118.726 120.300 0.008 0.000 2.597 73 Y HA 0.711 5.256 4.550 -0.008 0.000 0.340 73 Y C -1.539 174.364 175.900 0.005 0.000 1.097 73 Y CA -1.424 56.680 58.100 0.007 0.000 1.037 73 Y CB 1.432 39.898 38.460 0.010 0.000 1.305 73 Y HN 0.513 nan 8.280 nan 0.000 0.463 74 A N 2.720 125.588 122.820 0.079 0.000 2.455 74 A HA 0.711 5.027 4.320 -0.008 0.000 0.300 74 A C -1.986 175.656 177.584 0.097 0.000 1.040 74 A CA -0.874 51.156 52.037 -0.012 0.000 0.697 74 A CB 1.407 20.385 19.000 -0.037 0.000 1.265 74 A HN 0.832 nan 8.150 nan 0.000 0.407 75 L N 2.757 124.031 121.223 0.084 0.000 2.264 75 L HA 0.522 4.858 4.340 -0.008 0.000 0.289 75 L C 1.150 178.039 176.870 0.031 0.000 1.044 75 L CA -0.462 54.425 54.840 0.078 0.000 0.807 75 L CB 1.422 43.535 42.059 0.091 0.000 1.192 75 L HN 0.939 nan 8.230 nan 0.000 0.425 76 G N 2.128 110.941 108.800 0.021 0.000 2.621 76 G HA2 0.102 4.058 3.960 -0.008 0.000 0.271 76 G HA3 0.102 4.058 3.960 -0.008 0.000 0.271 76 G C -0.288 174.612 174.900 0.000 0.000 1.236 76 G CA -0.467 44.636 45.100 0.005 0.000 0.958 76 G HN 0.672 nan 8.290 nan 0.000 0.512 77 E N -0.388 119.808 120.200 -0.006 0.000 2.502 77 E HA -0.018 4.328 4.350 -0.008 0.000 0.261 77 E C 0.670 177.258 176.600 -0.019 0.000 0.974 77 E CA -0.165 56.229 56.400 -0.010 0.000 0.936 77 E CB 0.449 30.142 29.700 -0.012 0.000 0.926 77 E HN 0.346 nan 8.360 nan 0.000 0.459 78 R N 3.158 123.646 120.500 -0.019 0.000 2.570 78 R HA -0.059 4.277 4.340 -0.008 0.000 0.277 78 R C -0.245 176.025 176.300 -0.050 0.000 1.039 78 R CA 0.561 56.642 56.100 -0.031 0.000 1.065 78 R CB 0.413 30.700 30.300 -0.021 0.000 0.964 78 R HN 0.601 nan 8.270 nan 0.000 0.428 79 Q N 2.863 122.612 119.800 -0.086 0.000 2.842 79 Q HA 0.102 4.437 4.340 -0.008 0.000 0.323 79 Q C 0.094 175.969 176.000 -0.208 0.000 1.111 79 Q CA -0.198 55.527 55.803 -0.130 0.000 1.047 79 Q CB 1.094 29.742 28.738 -0.149 0.000 1.280 79 Q HN 0.924 nan 8.270 nan 0.000 0.475 80 S N 0.483 116.114 115.700 -0.116 0.000 3.938 80 S HA -0.360 4.106 4.470 -0.008 0.000 0.624 80 S C 0.971 175.502 174.600 -0.116 0.000 2.186 80 S CA 1.957 60.112 58.200 -0.076 0.000 4.144 80 S CB -1.037 62.146 63.200 -0.029 0.000 0.230 80 S HN 0.814 nan 8.310 nan 0.000 0.755 81 Y N 0.923 121.221 120.300 -0.003 0.000 2.483 81 Y HA 0.277 4.820 4.550 -0.012 0.000 0.291 81 Y C 1.969 177.844 175.900 -0.041 0.000 1.143 81 Y CA 1.297 59.387 58.100 -0.017 0.000 1.289 81 Y CB -0.559 37.886 38.460 -0.026 0.000 0.983 81 Y HN 0.401 nan 8.280 nan 0.000 0.556 82 K N 0.924 120.956 120.400 -0.613 0.000 2.432 82 K HA 0.242 4.558 4.320 -0.008 0.000 0.196 82 K C 1.327 177.828 176.600 -0.165 0.000 1.038 82 K CA 0.506 56.583 56.287 -0.350 0.000 0.986 82 K CB -0.197 32.059 32.500 -0.407 0.000 0.782 82 K HN 0.611 nan 8.250 nan 0.000 0.485 83 G N 0.748 109.468 108.800 -0.133 0.000 2.542 83 G HA2 -0.230 3.726 3.960 -0.008 0.000 0.235 83 G HA3 -0.230 3.726 3.960 -0.008 0.000 0.235 83 G C -0.727 174.134 174.900 -0.065 0.000 1.286 83 G CA -0.447 44.612 45.100 -0.069 0.000 0.904 83 G HN 0.166 nan 8.290 nan 0.000 0.577 84 S N 2.961 118.638 115.700 -0.039 0.000 2.519 84 S HA 0.714 5.179 4.470 -0.008 0.000 0.309 84 S C -2.567 172.022 174.600 -0.018 0.000 1.100 84 S CA -0.635 57.550 58.200 -0.025 0.000 1.059 84 S CB 2.666 65.862 63.200 -0.006 0.000 1.008 84 S HN 0.739 nan 8.310 nan 0.000 0.478 85 P HA 0.226 nan 4.420 nan 0.000 0.279 85 P C -1.027 176.282 177.300 0.014 0.000 1.239 85 P CA -0.469 62.627 63.100 -0.008 0.000 0.789 85 P CB 0.585 32.280 31.700 -0.009 0.000 0.933 86 M N 2.455 122.065 119.600 0.018 0.000 2.043 86 M HA 0.273 4.748 4.480 -0.008 0.000 0.322 86 M C -0.316 176.015 176.300 0.052 0.000 0.962 86 M CA -0.559 54.770 55.300 0.050 0.000 0.927 86 M CB 0.926 33.540 32.600 0.023 0.000 1.466 86 M HN 0.281 nan 8.290 nan 0.000 0.412 87 E N 5.032 125.275 120.200 0.072 0.000 2.200 87 E HA 0.440 4.786 4.350 -0.008 0.000 0.283 87 E C -1.450 175.212 176.600 0.103 0.000 1.015 87 E CA -0.360 56.078 56.400 0.063 0.000 0.819 87 E CB 1.024 30.750 29.700 0.044 0.000 1.081 87 E HN 0.722 nan 8.360 nan 0.000 0.397 88 I N 3.267 123.885 120.570 0.080 0.000 2.406 88 I HA 0.188 4.353 4.170 -0.008 0.000 0.290 88 I C -0.366 175.790 176.117 0.065 0.000 0.999 88 I CA -0.681 60.676 61.300 0.096 0.000 1.124 88 I CB 2.053 40.091 38.000 0.063 0.000 1.289 88 I HN 0.380 nan 8.210 nan 0.000 0.441 89 S N 7.078 122.821 115.700 0.072 0.000 2.439 89 S HA 0.465 4.931 4.470 -0.008 0.000 0.282 89 S C -0.029 174.596 174.600 0.042 0.000 1.170 89 S CA -0.610 57.618 58.200 0.046 0.000 1.054 89 S CB 0.248 63.471 63.200 0.038 0.000 0.956 89 S HN 0.323 nan 8.310 nan 0.000 0.490 90 L N 5.529 126.771 121.223 0.031 0.000 2.417 90 L HA 0.280 4.616 4.340 -0.008 0.000 0.268 90 L C -0.921 175.964 176.870 0.024 0.000 1.158 90 L CA -1.582 53.275 54.840 0.028 0.000 0.819 90 L CB 0.324 42.396 42.059 0.022 0.000 1.112 90 L HN 0.425 nan 8.230 nan 0.000 0.458 91 P HA 0.072 nan 4.420 nan 0.000 0.227 91 P C 0.090 177.400 177.300 0.016 0.000 1.161 91 P CA 1.050 64.163 63.100 0.021 0.000 0.788 91 P CB 0.605 32.318 31.700 0.022 0.000 0.822 92 I N -0.458 120.120 120.570 0.014 0.000 2.534 92 I HA 0.406 4.571 4.170 -0.008 0.000 0.288 92 I C -0.161 175.962 176.117 0.011 0.000 1.077 92 I CA -1.532 59.775 61.300 0.011 0.000 1.051 92 I CB 2.198 40.204 38.000 0.010 0.000 1.234 92 I HN -0.212 nan 8.210 nan 0.000 0.425 93 A N 7.337 130.162 122.820 0.009 0.000 2.540 93 A HA 0.426 4.741 4.320 -0.008 0.000 0.239 93 A C -0.215 177.374 177.584 0.007 0.000 1.061 93 A CA 0.237 52.279 52.037 0.008 0.000 0.758 93 A CB 0.063 19.067 19.000 0.007 0.000 0.991 93 A HN 0.673 nan 8.150 nan 0.000 0.502 94 L N 2.576 123.804 121.223 0.007 0.000 2.343 94 L HA 0.418 4.753 4.340 -0.008 0.000 0.275 94 L C 0.982 177.854 176.870 0.005 0.000 1.056 94 L CA -0.524 54.320 54.840 0.006 0.000 0.804 94 L CB 1.592 43.656 42.059 0.007 0.000 1.203 94 L HN 0.891 nan 8.230 nan 0.000 0.440 95 S N 1.197 116.899 115.700 0.003 0.000 2.652 95 S HA 0.273 4.739 4.470 -0.008 0.000 0.270 95 S C -0.271 174.330 174.600 0.002 0.000 1.243 95 S CA -0.903 57.298 58.200 0.002 0.000 0.999 95 S CB 1.337 64.538 63.200 0.001 0.000 0.973 95 S HN 0.578 nan 8.310 nan 0.000 0.544 96 K N 0.790 121.191 120.400 0.001 0.000 2.451 96 K HA 0.009 4.325 4.320 -0.008 0.000 0.280 96 K C -0.012 176.587 176.600 -0.000 0.000 1.020 96 K CA 0.377 56.665 56.287 0.001 0.000 1.008 96 K CB -0.157 32.344 32.500 0.001 0.000 0.917 96 K HN 0.711 nan 8.250 nan 0.000 0.478 97 N N 1.193 119.893 118.700 -0.000 0.000 2.965 97 N HA -0.231 4.504 4.740 -0.008 0.000 0.232 97 N C -0.651 174.858 175.510 -0.002 0.000 0.913 97 N CA 0.947 53.996 53.050 -0.002 0.000 0.981 97 N CB -0.914 37.570 38.487 -0.004 0.000 1.077 97 N HN 0.781 nan 8.380 nan 0.000 0.589 98 Q N 1.074 120.874 119.800 0.000 0.000 2.352 98 Q HA 0.171 4.506 4.340 -0.008 0.000 0.260 98 Q C -0.595 175.407 176.000 0.003 0.000 0.976 98 Q CA 0.478 56.281 55.803 0.000 0.000 0.881 98 Q CB 0.555 29.294 28.738 0.002 0.000 1.235 98 Q HN 0.169 nan 8.270 nan 0.000 0.419 99 E N 4.034 124.236 120.200 0.002 0.000 2.199 99 E HA 0.471 4.816 4.350 -0.008 0.000 0.269 99 E C -0.650 175.954 176.600 0.008 0.000 0.899 99 E CA -0.515 55.889 56.400 0.006 0.000 0.772 99 E CB 1.509 31.211 29.700 0.004 0.000 1.155 99 E HN 0.579 nan 8.360 nan 0.000 0.408 100 I N -1.776 118.802 120.570 0.014 0.000 3.145 100 I HA 0.663 4.828 4.170 -0.008 0.000 0.313 100 I C -1.010 175.121 176.117 0.025 0.000 1.122 100 I CA -1.262 60.048 61.300 0.016 0.000 0.987 100 I CB 1.860 39.870 38.000 0.016 0.000 1.236 100 I HN 0.149 nan 8.210 nan 0.000 0.453 101 V N 3.899 123.829 119.914 0.027 0.000 2.417 101 V HA 0.494 4.610 4.120 -0.008 0.000 0.291 101 V C -0.130 175.987 176.094 0.037 0.000 1.024 101 V CA -0.353 61.971 62.300 0.039 0.000 0.861 101 V CB 1.432 33.281 31.823 0.043 0.000 0.985 101 V HN 0.477 nan 8.190 nan 0.000 0.436 102 I N 4.048 124.641 120.570 0.039 0.000 2.382 102 I HA 0.448 4.613 4.170 -0.008 0.000 0.286 102 I C -0.015 176.123 176.117 0.035 0.000 1.002 102 I CA -0.303 61.014 61.300 0.029 0.000 1.135 102 I CB 1.703 39.713 38.000 0.017 0.000 1.288 102 I HN 0.640 nan 8.210 nan 0.000 0.448 103 E N 7.832 128.054 120.200 0.037 0.000 2.092 103 E HA 0.482 4.827 4.350 -0.008 0.000 0.271 103 E C -1.162 175.457 176.600 0.032 0.000 0.919 103 E CA -0.604 55.826 56.400 0.050 0.000 0.760 103 E CB 1.163 30.899 29.700 0.059 0.000 1.106 103 E HN 0.535 nan 8.360 nan 0.000 0.408 104 I N 3.254 123.850 120.570 0.044 0.000 2.339 104 I HA 0.180 4.346 4.170 -0.008 0.000 0.290 104 I C -0.128 176.069 176.117 0.133 0.000 0.994 104 I CA -0.549 60.769 61.300 0.030 0.000 1.191 104 I CB 1.881 39.870 38.000 -0.019 0.000 1.343 104 I HN 0.343 nan 8.210 nan 0.000 0.458 105 S N 6.869 122.611 115.700 0.069 0.000 2.475 105 S HA 0.676 5.141 4.470 -0.008 0.000 0.281 105 S C -0.526 174.130 174.600 0.093 0.000 1.198 105 S CA -0.496 57.734 58.200 0.049 0.000 1.063 105 S CB 0.483 63.678 63.200 -0.009 0.000 0.972 105 S HN 0.478 nan 8.310 nan 0.000 0.486 106 F N 0.309 120.230 119.950 -0.049 0.000 2.685 106 F HA 0.825 5.348 4.527 -0.007 0.000 0.315 106 F C -0.872 174.911 175.800 -0.027 0.000 1.126 106 F CA -1.163 56.810 58.000 -0.046 0.000 0.950 106 F CB 1.332 40.299 39.000 -0.055 0.000 1.360 106 F HN 0.475 nan 8.300 nan 0.000 0.469 107 E N 0.749 120.982 120.200 0.055 0.000 2.331 107 E HA 0.444 4.790 4.350 -0.008 0.000 0.275 107 E C -1.240 175.469 176.600 0.182 0.000 0.895 107 E CA -0.883 55.510 56.400 -0.011 0.000 0.753 107 E CB 2.312 31.986 29.700 -0.044 0.000 1.216 107 E HN 0.944 nan 8.360 nan 0.000 0.434 108 T N 0.499 115.159 114.554 0.177 0.000 2.816 108 T HA 0.306 4.652 4.350 -0.008 0.000 0.282 108 T C 0.407 175.156 174.700 0.082 0.000 0.993 108 T CA -0.717 61.483 62.100 0.166 0.000 0.994 108 T CB 1.520 70.505 68.868 0.195 0.000 1.025 108 T HN 0.249 nan 8.240 nan 0.000 0.529 109 S N 0.944 116.685 115.700 0.067 0.000 2.554 109 S HA 0.383 4.848 4.470 -0.008 0.000 0.278 109 S C -1.665 172.942 174.600 0.011 0.000 1.242 109 S CA -1.782 56.431 58.200 0.021 0.000 1.051 109 S CB 0.564 63.777 63.200 0.021 0.000 0.986 109 S HN 0.565 nan 8.310 nan 0.000 0.502 110 P HA -0.120 nan 4.420 nan 0.000 0.218 110 P C 0.688 177.979 177.300 -0.015 0.000 1.146 110 P CA 1.173 64.185 63.100 -0.147 0.000 0.813 110 P CB 0.013 31.585 31.700 -0.215 0.000 0.778 111 K N -1.055 119.343 120.400 -0.002 0.000 2.444 111 K HA 0.109 4.425 4.320 -0.008 0.000 0.193 111 K C 0.574 177.184 176.600 0.017 0.000 1.024 111 K CA -0.071 56.219 56.287 0.005 0.000 1.077 111 K CB -0.300 32.197 32.500 -0.005 0.000 0.833 111 K HN -0.166 nan 8.250 nan 0.000 0.517 112 S N 2.121 117.852 115.700 0.052 0.000 3.298 112 S HA -0.094 4.371 4.470 -0.008 0.000 0.389 112 S C 1.118 175.707 174.600 -0.019 0.000 1.186 112 S CA 0.313 58.541 58.200 0.047 0.000 1.034 112 S CB 0.203 63.457 63.200 0.091 0.000 0.735 112 S HN 0.572 nan 8.310 nan 0.000 0.510 113 S N 4.426 120.124 115.700 -0.004 0.000 2.481 113 S HA 0.023 4.488 4.470 -0.008 0.000 0.231 113 S C 1.839 176.283 174.600 -0.260 0.000 0.996 113 S CA 0.451 58.590 58.200 -0.100 0.000 0.942 113 S CB -0.335 62.908 63.200 0.071 0.000 0.768 113 S HN 0.956 nan 8.310 nan 0.000 0.520 114 A N 0.985 123.743 122.820 -0.102 0.000 2.066 114 A HA 0.430 4.745 4.320 -0.008 0.000 0.218 114 A C 0.853 178.366 177.584 -0.120 0.000 1.157 114 A CA 0.356 52.347 52.037 -0.078 0.000 0.670 114 A CB -0.283 18.732 19.000 0.024 0.000 0.804 114 A HN 0.556 nan 8.150 nan 0.000 0.453 115 L N -0.807 120.295 121.223 -0.203 0.000 2.354 115 L HA 0.489 4.825 4.340 -0.008 0.000 0.269 115 L C -0.291 176.297 176.870 -0.470 0.000 1.005 115 L CA -0.549 54.094 54.840 -0.329 0.000 0.819 115 L CB 1.964 43.839 42.059 -0.307 0.000 1.311 115 L HN 0.271 nan 8.230 nan 0.000 0.423 116 Q N 1.524 120.904 119.800 -0.700 0.000 2.325 116 Q HA 0.343 4.679 4.340 -0.008 0.000 0.270 116 Q C -1.945 173.779 176.000 -0.461 0.000 1.020 116 Q CA -0.636 54.826 55.803 -0.569 0.000 0.785 116 Q CB 1.538 29.913 28.738 -0.605 0.000 1.259 116 Q HN 0.484 nan 8.270 nan 0.000 0.452 117 W N 5.156 126.378 121.300 -0.129 0.000 2.335 117 W HA 0.446 5.101 4.660 -0.009 0.000 0.307 117 W C -0.765 175.805 176.519 0.085 0.000 1.117 117 W CA -0.368 56.990 57.345 0.021 0.000 1.228 117 W CB 0.702 30.171 29.460 0.015 0.000 1.240 117 W HN 0.417 nan 8.180 nan 0.000 0.468 118 L N 3.953 125.398 121.223 0.369 0.000 2.329 118 L HA 0.512 4.847 4.340 -0.008 0.000 0.279 118 L C 0.937 177.966 176.870 0.264 0.000 1.014 118 L CA -0.982 54.022 54.840 0.273 0.000 0.814 118 L CB 1.436 43.637 42.059 0.236 0.000 1.257 118 L HN 0.425 nan 8.230 nan 0.000 0.424 119 T N -0.936 113.725 114.554 0.179 0.000 2.813 119 T HA 0.200 4.545 4.350 -0.008 0.000 0.297 119 T C -1.889 172.872 174.700 0.101 0.000 1.036 119 T CA -1.442 60.737 62.100 0.132 0.000 1.044 119 T CB 0.965 69.884 68.868 0.086 0.000 0.993 119 T HN 0.339 nan 8.240 nan 0.000 0.535 120 P HA -0.117 nan 4.420 nan 0.000 0.216 120 P C 1.316 178.637 177.300 0.035 0.000 1.150 120 P CA 1.263 64.386 63.100 0.039 0.000 0.843 120 P CB -0.018 31.679 31.700 -0.005 0.000 0.787 121 E N -0.597 119.622 120.200 0.032 0.000 2.265 121 E HA -0.189 4.157 4.350 -0.008 0.000 0.196 121 E C 1.783 178.405 176.600 0.037 0.000 0.996 121 E CA 0.746 57.162 56.400 0.027 0.000 0.832 121 E CB -0.379 29.334 29.700 0.022 0.000 0.756 121 E HN 0.486 nan 8.360 nan 0.000 0.491 122 Q N 0.467 120.298 119.800 0.052 0.000 2.444 122 Q HA -0.004 4.331 4.340 -0.008 0.000 0.206 122 Q C 0.807 176.825 176.000 0.030 0.000 0.948 122 Q CA 0.611 56.447 55.803 0.056 0.000 0.946 122 Q CB 0.415 29.203 28.738 0.083 0.000 1.027 122 Q HN 0.211 nan 8.270 nan 0.000 0.513 123 T N -4.328 110.243 114.554 0.028 0.000 2.910 123 T HA 0.313 4.659 4.350 -0.008 0.000 0.279 123 T C 1.073 175.780 174.700 0.012 0.000 0.989 123 T CA -0.644 61.458 62.100 0.003 0.000 0.968 123 T CB 1.638 70.542 68.868 0.061 0.000 1.135 123 T HN -0.198 nan 8.240 nan 0.000 0.562 124 S N -0.045 115.663 115.700 0.013 0.000 2.395 124 S HA 0.130 4.596 4.470 -0.008 0.000 0.225 124 S C 2.179 176.798 174.600 0.032 0.000 1.027 124 S CA 0.941 59.154 58.200 0.021 0.000 0.965 124 S CB -0.818 62.397 63.200 0.026 0.000 0.812 124 S HN 0.937 nan 8.310 nan 0.000 0.482 125 G N 0.538 109.369 108.800 0.051 0.000 2.551 125 G HA2 0.015 3.970 3.960 -0.008 0.000 0.216 125 G HA3 0.015 3.970 3.960 -0.008 0.000 0.216 125 G C 0.435 175.345 174.900 0.015 0.000 1.137 125 G CA 0.280 45.409 45.100 0.048 0.000 0.798 125 G HN 0.277 nan 8.290 nan 0.000 0.536 126 K N -0.765 119.643 120.400 0.012 0.000 3.547 126 K HA -0.217 4.098 4.320 -0.008 0.000 0.309 126 K C 1.028 177.592 176.600 -0.060 0.000 1.324 126 K CA 1.648 57.929 56.287 -0.011 0.000 0.988 126 K CB -1.532 30.961 32.500 -0.011 0.000 1.261 126 K HN 0.643 nan 8.250 nan 0.000 0.444 127 E N 0.044 120.171 120.200 -0.122 0.000 2.330 127 E HA 0.026 4.371 4.350 -0.008 0.000 0.200 127 E C 0.115 176.443 176.600 -0.452 0.000 0.922 127 E CA 0.029 56.237 56.400 -0.319 0.000 0.935 127 E CB 0.523 29.954 29.700 -0.449 0.000 0.917 127 E HN 0.384 nan 8.360 nan 0.000 0.491 128 H N 0.476 119.542 119.070 -0.006 0.000 2.747 128 H HA 0.362 4.914 4.556 -0.008 0.000 0.371 128 H C -2.350 172.947 175.328 -0.051 0.000 1.161 128 H CA -2.261 53.757 56.048 -0.050 0.000 1.167 128 H CB 1.615 31.350 29.762 -0.045 0.000 1.732 128 H HN 0.133 nan 8.280 nan 0.000 0.544 129 P HA 0.206 nan 4.420 nan 0.000 0.293 129 P C -1.140 176.177 177.300 0.029 0.000 1.304 129 P CA -0.281 62.793 63.100 -0.044 0.000 0.767 129 P CB 1.631 33.191 31.700 -0.233 0.000 1.247 130 Y N -0.961 119.412 120.300 0.122 0.000 2.558 130 Y HA 0.561 5.106 4.550 -0.008 0.000 0.333 130 Y C -1.904 174.187 175.900 0.317 0.000 1.125 130 Y CA -1.140 57.088 58.100 0.213 0.000 1.039 130 Y CB 1.456 40.008 38.460 0.154 0.000 1.331 130 Y HN 0.280 nan 8.280 nan 0.000 0.456 131 L N 7.189 128.584 121.223 0.287 0.000 2.410 131 L HA 0.807 5.143 4.340 -0.008 0.000 0.270 131 L C -1.914 174.971 176.870 0.025 0.000 0.983 131 L CA -0.797 53.986 54.840 -0.096 0.000 0.822 131 L CB 1.438 43.153 42.059 -0.572 0.000 1.285 131 L HN 0.487 nan 8.230 nan 0.000 0.409 132 F N 1.774 121.707 119.950 -0.028 0.000 2.613 132 F HA 0.897 5.419 4.527 -0.008 0.000 0.310 132 F C -0.622 175.222 175.800 0.073 0.000 1.085 132 F CA -0.612 57.429 58.000 0.069 0.000 0.945 132 F CB 1.214 40.356 39.000 0.236 0.000 1.298 132 F HN 0.574 nan 8.300 nan 0.000 0.455 133 S N 1.501 117.414 115.700 0.356 0.000 2.690 133 S HA 0.758 5.224 4.470 -0.008 0.000 0.291 133 S C -0.960 173.908 174.600 0.446 0.000 1.138 133 S CA -0.555 57.789 58.200 0.240 0.000 1.013 133 S CB 1.855 65.102 63.200 0.079 0.000 1.053 133 S HN 0.954 nan 8.310 nan 0.000 0.539 134 Q N 0.515 120.477 119.800 0.269 0.000 2.526 134 Q HA 0.437 4.773 4.340 -0.008 0.000 0.238 134 Q C -0.791 175.285 176.000 0.127 0.000 0.866 134 Q CA -0.502 55.444 55.803 0.238 0.000 0.801 134 Q CB 0.474 29.392 28.738 0.299 0.000 1.380 134 Q HN 0.773 nan 8.270 nan 0.000 0.446 135 C N 2.129 121.484 119.300 0.092 0.000 2.551 135 C HA 0.208 4.664 4.460 -0.008 0.000 0.277 135 C C 0.961 176.011 174.990 0.099 0.000 1.349 135 C CA 0.061 59.149 59.018 0.116 0.000 1.750 135 C CB -0.075 27.708 27.740 0.071 0.000 2.058 135 C HN 0.780 nan 8.230 nan 0.000 0.518 136 Q N 0.529 120.344 119.800 0.026 0.000 2.311 136 Q HA 0.329 4.664 4.340 -0.008 0.000 0.272 136 Q C 0.892 176.670 176.000 -0.371 0.000 1.012 136 Q CA 0.199 55.865 55.803 -0.228 0.000 0.891 136 Q CB 0.980 29.560 28.738 -0.262 0.000 1.201 136 Q HN 0.518 nan 8.270 nan 0.000 0.391 137 A N 4.965 127.365 122.820 -0.701 0.000 1.850 137 A HA 0.001 4.316 4.320 -0.008 0.000 0.212 137 A C 1.201 178.437 177.584 -0.580 0.000 1.208 137 A CA 1.114 52.435 52.037 -1.193 0.000 0.609 137 A CB -0.052 17.825 19.000 -1.872 0.000 0.860 137 A HN 0.829 nan 8.150 nan 0.000 0.448 138 I N -5.210 115.049 120.570 -0.519 0.000 3.061 138 I HA 0.438 4.604 4.170 -0.008 0.000 0.341 138 I C 0.084 175.957 176.117 -0.406 0.000 1.457 138 I CA -0.315 60.798 61.300 -0.311 0.000 0.921 138 I CB 0.269 38.144 38.000 -0.209 0.000 1.845 138 I HN 0.139 nan 8.210 nan 0.000 0.535 139 H N -0.272 118.769 119.070 -0.048 0.000 2.755 139 H HA 0.177 4.729 4.556 -0.008 0.000 0.273 139 H C 1.801 177.115 175.328 -0.023 0.000 1.055 139 H CA 0.103 56.136 56.048 -0.026 0.000 1.191 139 H CB 0.793 30.543 29.762 -0.019 0.000 1.536 139 H HN 0.688 nan 8.280 nan 0.000 0.529 140 C N 2.234 121.570 119.300 0.059 0.000 2.422 140 C HA -0.128 4.328 4.460 -0.008 0.000 0.279 140 C C 2.946 177.914 174.990 -0.037 0.000 1.305 140 C CA 1.064 60.083 59.018 0.002 0.000 1.757 140 C CB -0.716 27.017 27.740 -0.013 0.000 1.962 140 C HN 0.625 nan 8.230 nan 0.000 0.499 141 R N 0.978 121.459 120.500 -0.031 0.000 2.241 141 R HA 0.009 4.344 4.340 -0.008 0.000 0.224 141 R C 1.730 178.001 176.300 -0.048 0.000 1.101 141 R CA 1.597 57.662 56.100 -0.059 0.000 0.995 141 R CB -0.569 29.704 30.300 -0.046 0.000 0.870 141 R HN 0.491 nan 8.270 nan 0.000 0.463 142 A N 0.759 123.580 122.820 0.002 0.000 2.275 142 A HA 0.241 4.556 4.320 -0.008 0.000 0.212 142 A C 1.731 179.324 177.584 0.016 0.000 1.201 142 A CA 0.073 52.126 52.037 0.027 0.000 0.843 142 A CB -0.058 18.994 19.000 0.086 0.000 0.873 142 A HN 0.317 nan 8.150 nan 0.000 0.492 143 I N -1.097 119.457 120.570 -0.025 0.000 3.039 143 I HA 0.205 4.370 4.170 -0.008 0.000 0.270 143 I C 0.051 176.071 176.117 -0.162 0.000 1.150 143 I CA 0.348 61.633 61.300 -0.026 0.000 1.448 143 I CB 0.316 38.292 38.000 -0.039 0.000 1.197 143 I HN 0.354 nan 8.210 nan 0.000 0.450 144 L N -2.934 118.088 121.223 -0.335 0.000 2.622 144 L HA 0.674 5.009 4.340 -0.008 0.000 0.258 144 L C -3.211 173.374 176.870 -0.474 0.000 0.996 144 L CA -2.008 52.403 54.840 -0.715 0.000 0.858 144 L CB 0.654 42.344 42.059 -0.615 0.000 1.449 144 L HN -0.295 nan 8.230 nan 0.000 0.411 145 P HA 0.443 nan 4.420 nan 0.000 0.276 145 P C -0.889 176.292 177.300 -0.199 0.000 1.235 145 P CA -0.286 62.649 63.100 -0.275 0.000 0.772 145 P CB 0.695 32.247 31.700 -0.246 0.000 0.871 146 C N 0.593 119.815 119.300 -0.129 0.000 3.275 146 C HA 0.365 4.820 4.460 -0.008 0.000 0.340 146 C C -0.818 174.141 174.990 -0.052 0.000 1.366 146 C CA -0.957 58.006 59.018 -0.091 0.000 1.227 146 C CB 0.768 28.450 27.740 -0.098 0.000 1.512 146 C HN 0.470 nan 8.230 nan 0.000 0.461 147 Q N 1.145 120.926 119.800 -0.032 0.000 2.431 147 Q HA 0.210 4.545 4.340 -0.008 0.000 0.234 147 Q C -0.645 175.359 176.000 0.006 0.000 1.203 147 Q CA 0.366 56.163 55.803 -0.011 0.000 0.902 147 Q CB 0.263 28.998 28.738 -0.005 0.000 1.455 147 Q HN 0.610 nan 8.270 nan 0.000 0.515 148 D N 2.493 122.902 120.400 0.016 0.000 2.741 148 D HA 0.056 4.691 4.640 -0.008 0.000 0.233 148 D C -1.006 175.359 176.300 0.109 0.000 1.160 148 D CA 0.135 54.167 54.000 0.053 0.000 1.003 148 D CB 0.232 41.052 40.800 0.032 0.000 1.064 148 D HN 0.296 nan 8.370 nan 0.000 0.503 149 T N 0.939 115.549 114.554 0.093 0.000 2.971 149 T HA 0.386 4.732 4.350 -0.008 0.000 0.304 149 T C -2.360 172.354 174.700 0.023 0.000 1.038 149 T CA -1.694 60.441 62.100 0.057 0.000 1.007 149 T CB 1.972 70.847 68.868 0.011 0.000 1.055 149 T HN -0.072 nan 8.240 nan 0.000 0.451 150 P HA 0.061 nan 4.420 nan 0.000 0.245 150 P C 1.147 178.395 177.300 -0.087 0.000 1.212 150 P CA 0.264 63.325 63.100 -0.065 0.000 0.774 150 P CB -0.060 31.450 31.700 -0.317 0.000 0.999 151 S N -1.634 114.013 115.700 -0.089 0.000 2.561 151 S HA 0.063 4.529 4.470 -0.008 0.000 0.225 151 S C 0.762 175.344 174.600 -0.029 0.000 0.977 151 S CA -0.013 58.149 58.200 -0.063 0.000 0.926 151 S CB -0.665 62.501 63.200 -0.056 0.000 0.769 151 S HN -0.063 nan 8.310 nan 0.000 0.533 152 V N 1.641 121.546 119.914 -0.014 0.000 2.540 152 V HA 0.505 4.620 4.120 -0.008 0.000 0.302 152 V C -0.511 175.586 176.094 0.005 0.000 1.035 152 V CA -0.794 61.506 62.300 -0.001 0.000 0.873 152 V CB 1.949 33.773 31.823 0.002 0.000 0.992 152 V HN 0.248 nan 8.190 nan 0.000 0.428 153 K N 5.327 125.736 120.400 0.014 0.000 2.378 153 K HA 0.842 5.158 4.320 -0.008 0.000 0.252 153 K C -1.355 175.267 176.600 0.036 0.000 0.931 153 K CA -0.702 55.601 56.287 0.026 0.000 0.794 153 K CB 2.621 35.146 32.500 0.042 0.000 1.181 153 K HN 0.641 nan 8.250 nan 0.000 0.425 154 L N -1.443 119.809 121.223 0.048 0.000 2.424 154 L HA 0.623 4.958 4.340 -0.008 0.000 0.258 154 L C -0.037 176.893 176.870 0.100 0.000 0.995 154 L CA -0.919 53.960 54.840 0.065 0.000 0.821 154 L CB 1.828 43.910 42.059 0.039 0.000 1.383 154 L HN 0.620 nan 8.230 nan 0.000 0.410 155 T N -1.175 113.460 114.554 0.135 0.000 2.847 155 T HA 0.692 5.038 4.350 -0.008 0.000 0.279 155 T C -0.594 174.142 174.700 0.061 0.000 0.984 155 T CA -0.228 61.968 62.100 0.160 0.000 0.988 155 T CB 1.130 70.144 68.868 0.243 0.000 1.040 155 T HN 0.932 nan 8.240 nan 0.000 0.528 156 Y N -1.853 118.386 120.300 -0.101 0.000 2.609 156 Y HA 0.689 5.235 4.550 -0.007 0.000 0.336 156 Y C -0.945 174.963 175.900 0.012 0.000 1.129 156 Y CA -1.197 56.715 58.100 -0.312 0.000 1.040 156 Y CB 0.991 39.336 38.460 -0.192 0.000 1.310 156 Y HN 1.015 nan 8.280 nan 0.000 0.460 157 T N 0.189 114.896 114.554 0.255 0.000 2.906 157 T HA 0.980 5.326 4.350 -0.008 0.000 0.295 157 T C -0.831 174.113 174.700 0.407 0.000 1.061 157 T CA -0.332 61.991 62.100 0.372 0.000 1.000 157 T CB 1.717 70.890 68.868 0.509 0.000 1.103 157 T HN 1.639 nan 8.240 nan 0.000 0.486 158 A N 1.400 124.436 122.820 0.360 0.000 2.572 158 A HA 0.770 5.086 4.320 -0.008 0.000 0.295 158 A C -1.339 176.393 177.584 0.247 0.000 1.072 158 A CA -0.995 51.186 52.037 0.240 0.000 0.691 158 A CB 1.518 20.726 19.000 0.347 0.000 1.291 158 A HN 0.849 nan 8.150 nan 0.000 0.404 159 E N 0.654 120.927 120.200 0.121 0.000 2.216 159 E HA 0.521 4.867 4.350 -0.008 0.000 0.260 159 E C -1.503 175.181 176.600 0.140 0.000 0.880 159 E CA -0.667 55.812 56.400 0.131 0.000 0.765 159 E CB 2.362 32.108 29.700 0.076 0.000 1.174 159 E HN 0.338 nan 8.360 nan 0.000 0.417 160 V N 2.302 122.348 119.914 0.221 0.000 2.407 160 V HA 0.255 4.370 4.120 -0.008 0.000 0.291 160 V C -0.119 176.090 176.094 0.191 0.000 1.018 160 V CA -0.691 61.729 62.300 0.201 0.000 0.842 160 V CB 1.631 33.612 31.823 0.264 0.000 0.996 160 V HN 0.592 nan 8.190 nan 0.000 0.426 161 S N 4.685 120.456 115.700 0.118 0.000 2.475 161 S HA 0.747 5.212 4.470 -0.008 0.000 0.281 161 S C -0.460 174.220 174.600 0.135 0.000 1.198 161 S CA -0.389 57.877 58.200 0.110 0.000 1.063 161 S CB 0.989 64.226 63.200 0.062 0.000 0.972 161 S HN 1.091 nan 8.310 nan 0.000 0.486 162 V N 2.595 122.618 119.914 0.180 0.000 3.078 162 V HA 0.761 4.877 4.120 -0.008 0.000 0.311 162 V C -3.065 173.145 176.094 0.194 0.000 1.138 162 V CA -2.913 59.518 62.300 0.217 0.000 1.007 162 V CB 1.205 33.180 31.823 0.254 0.000 1.045 162 V HN 0.614 nan 8.190 nan 0.000 0.432 163 P HA 0.114 nan 4.420 nan 0.000 0.264 163 P C 0.470 177.832 177.300 0.103 0.000 1.183 163 P CA 0.162 63.346 63.100 0.140 0.000 0.763 163 P CB 0.365 32.145 31.700 0.135 0.000 0.807 164 K N 2.611 123.055 120.400 0.073 0.000 2.362 164 K HA -0.153 4.163 4.320 -0.008 0.000 0.200 164 K C 0.688 177.316 176.600 0.045 0.000 1.046 164 K CA 1.506 57.829 56.287 0.061 0.000 0.952 164 K CB -0.256 32.264 32.500 0.033 0.000 0.753 164 K HN 0.233 nan 8.250 nan 0.000 0.466 165 E N 0.968 121.167 120.200 -0.003 0.000 2.418 165 E HA 0.066 4.412 4.350 -0.008 0.000 0.197 165 E C 0.263 176.768 176.600 -0.158 0.000 1.026 165 E CA 0.498 56.844 56.400 -0.090 0.000 0.862 165 E CB -0.014 29.584 29.700 -0.171 0.000 0.799 165 E HN 0.310 nan 8.360 nan 0.000 0.518 166 L N -0.465 120.715 121.223 -0.071 0.000 2.298 166 L HA 0.520 4.855 4.340 -0.008 0.000 0.268 166 L C -0.325 176.558 176.870 0.021 0.000 1.010 166 L CA -1.314 53.478 54.840 -0.080 0.000 0.812 166 L CB 1.407 43.422 42.059 -0.073 0.000 1.331 166 L HN -0.238 nan 8.230 nan 0.000 0.450 167 V N 0.405 120.247 119.914 -0.120 0.000 2.540 167 V HA 0.638 4.753 4.120 -0.008 0.000 0.302 167 V C -0.104 175.665 176.094 -0.543 0.000 1.035 167 V CA -0.632 61.433 62.300 -0.391 0.000 0.873 167 V CB 1.664 33.347 31.823 -0.235 0.000 0.992 167 V HN 0.821 nan 8.190 nan 0.000 0.428 168 A N 5.939 128.213 122.820 -0.910 0.000 2.305 168 A HA 0.933 5.248 4.320 -0.008 0.000 0.322 168 A C -0.848 176.512 177.584 -0.374 0.000 1.187 168 A CA -0.414 51.340 52.037 -0.471 0.000 0.825 168 A CB 0.623 19.541 19.000 -0.137 0.000 1.164 168 A HN 0.790 nan 8.150 nan 0.000 0.498 169 L N 1.934 122.927 121.223 -0.382 0.000 2.371 169 L HA 0.689 5.025 4.340 -0.008 0.000 0.262 169 L C -0.236 176.292 176.870 -0.570 0.000 1.006 169 L CA -0.362 54.231 54.840 -0.412 0.000 0.818 169 L CB 2.199 43.905 42.059 -0.588 0.000 1.354 169 L HN 0.725 nan 8.230 nan 0.000 0.415 170 M N 0.160 119.325 119.600 -0.726 0.000 2.667 170 M HA 0.309 4.784 4.480 -0.008 0.000 0.286 170 M C -0.125 176.050 176.300 -0.208 0.000 1.270 170 M CA -0.730 54.237 55.300 -0.555 0.000 0.826 170 M CB 2.492 34.566 32.600 -0.877 0.000 1.743 170 M HN 0.576 nan 8.290 nan 0.000 0.460 171 S N 0.539 116.195 115.700 -0.074 0.000 4.175 171 S HA 0.632 5.098 4.470 -0.008 0.000 0.193 171 S C -0.346 174.261 174.600 0.012 0.000 1.373 171 S CA -0.310 57.874 58.200 -0.027 0.000 0.908 171 S CB -0.983 62.177 63.200 -0.066 0.000 1.547 171 S HN 0.742 nan 8.310 nan 0.000 0.440 172 A N 2.216 125.032 122.820 -0.007 0.000 2.544 172 A HA 0.579 4.894 4.320 -0.008 0.000 0.291 172 A C -0.959 176.692 177.584 0.112 0.000 1.055 172 A CA -0.959 51.069 52.037 -0.015 0.000 0.651 172 A CB 0.482 19.409 19.000 -0.122 0.000 1.296 172 A HN 0.405 nan 8.150 nan 0.000 0.431 173 I N 1.454 122.090 120.570 0.110 0.000 2.441 173 I HA 0.219 4.384 4.170 -0.008 0.000 0.287 173 I C 0.899 177.124 176.117 0.180 0.000 1.049 173 I CA 0.004 61.387 61.300 0.138 0.000 1.381 173 I CB 0.570 38.626 38.000 0.093 0.000 1.409 173 I HN 0.666 nan 8.210 nan 0.000 0.523 174 R N 3.844 124.448 120.500 0.172 0.000 2.522 174 R HA 0.006 4.341 4.340 -0.008 0.000 0.284 174 R C -0.137 176.146 176.300 -0.028 0.000 1.032 174 R CA 0.188 56.319 56.100 0.051 0.000 1.049 174 R CB 0.377 30.730 30.300 0.088 0.000 0.956 174 R HN 0.478 nan 8.270 nan 0.000 0.422 175 D N 1.302 121.608 120.400 -0.158 0.000 2.740 175 D HA 0.214 4.849 4.640 -0.008 0.000 0.301 175 D C -0.060 176.171 176.300 -0.115 0.000 1.408 175 D CA 0.547 54.489 54.000 -0.096 0.000 0.808 175 D CB 0.458 41.218 40.800 -0.065 0.000 1.128 175 D HN 0.779 nan 8.370 nan 0.000 0.465 176 G N 0.888 109.617 108.800 -0.119 0.000 2.603 176 G HA2 0.079 4.034 3.960 -0.008 0.000 0.686 176 G HA3 0.079 4.034 3.960 -0.008 0.000 0.686 176 G C -0.912 173.899 174.900 -0.148 0.000 1.286 176 G CA -0.371 44.674 45.100 -0.092 0.000 0.871 176 G HN 0.371 nan 8.290 nan 0.000 0.568 177 E N -1.858 118.241 120.200 -0.168 0.000 2.390 177 E HA 0.773 5.118 4.350 -0.008 0.000 0.277 177 E C -0.957 175.508 176.600 -0.225 0.000 0.939 177 E CA -0.647 55.562 56.400 -0.319 0.000 0.769 177 E CB 2.491 31.883 29.700 -0.513 0.000 1.251 177 E HN 0.874 nan 8.360 nan 0.000 0.450 178 T N 1.490 115.898 114.554 -0.242 0.000 2.932 178 T HA 0.433 4.779 4.350 -0.008 0.000 0.318 178 T C -2.846 171.771 174.700 -0.138 0.000 1.265 178 T CA -1.579 60.432 62.100 -0.148 0.000 1.036 178 T CB 1.745 70.555 68.868 -0.096 0.000 1.209 178 T HN 0.346 nan 8.240 nan 0.000 0.484 179 P HA 0.162 nan 4.420 nan 0.000 0.267 179 P C -0.923 176.348 177.300 -0.049 0.000 1.200 179 P CA -0.202 62.860 63.100 -0.064 0.000 0.772 179 P CB 0.363 32.039 31.700 -0.039 0.000 0.855 180 D N 3.683 124.064 120.400 -0.032 0.000 2.338 180 D HA 0.060 4.696 4.640 -0.008 0.000 0.255 180 D C -1.537 174.758 176.300 -0.009 0.000 1.237 180 D CA -1.921 52.070 54.000 -0.015 0.000 0.883 180 D CB 0.482 41.283 40.800 0.001 0.000 1.087 180 D HN 0.124 nan 8.370 nan 0.000 0.485 181 P HA -0.071 nan 4.420 nan 0.000 0.222 181 P C 0.560 177.860 177.300 0.000 0.000 1.147 181 P CA 0.908 64.006 63.100 -0.004 0.000 0.790 181 P CB 0.343 32.041 31.700 -0.003 0.000 0.780 182 E N -1.287 118.914 120.200 0.002 0.000 2.435 182 E HA -0.017 4.328 4.350 -0.008 0.000 0.195 182 E C 0.213 176.816 176.600 0.006 0.000 1.029 182 E CA 0.401 56.804 56.400 0.004 0.000 0.865 182 E CB 0.063 29.765 29.700 0.004 0.000 0.833 182 E HN 0.102 nan 8.360 nan 0.000 0.510 183 D N -0.888 119.517 120.400 0.008 0.000 2.312 183 D HA 0.097 4.732 4.640 -0.008 0.000 0.229 183 D C -2.459 173.849 176.300 0.013 0.000 1.337 183 D CA -1.768 52.240 54.000 0.013 0.000 0.964 183 D CB 1.188 42.000 40.800 0.020 0.000 1.456 183 D HN -0.253 nan 8.370 nan 0.000 0.547 184 P HA -0.052 nan 4.420 nan 0.000 0.236 184 P C 1.125 178.435 177.300 0.015 0.000 1.172 184 P CA 0.659 63.764 63.100 0.008 0.000 0.759 184 P CB 0.202 31.906 31.700 0.007 0.000 0.843 185 S N -1.985 113.730 115.700 0.024 0.000 2.607 185 S HA 0.095 4.560 4.470 -0.008 0.000 0.224 185 S C 0.850 175.475 174.600 0.042 0.000 0.969 185 S CA -0.086 58.135 58.200 0.034 0.000 0.927 185 S CB -0.323 62.902 63.200 0.041 0.000 0.772 185 S HN 0.064 nan 8.310 nan 0.000 0.533 186 R N 0.128 120.649 120.500 0.035 0.000 2.892 186 R HA 0.658 4.993 4.340 -0.008 0.000 0.265 186 R C -1.032 175.277 176.300 0.015 0.000 1.025 186 R CA -0.867 55.260 56.100 0.045 0.000 0.982 186 R CB 1.345 31.678 30.300 0.054 0.000 1.185 186 R HN 0.106 nan 8.270 nan 0.000 0.484 187 K N 0.928 121.336 120.400 0.014 0.000 2.328 187 K HA 0.507 4.823 4.320 -0.008 0.000 0.246 187 K C -0.724 175.833 176.600 -0.072 0.000 0.955 187 K CA -0.607 55.627 56.287 -0.089 0.000 0.817 187 K CB 2.009 34.382 32.500 -0.212 0.000 1.208 187 K HN 0.346 nan 8.250 nan 0.000 0.432 188 I N 2.835 123.313 120.570 -0.153 0.000 2.339 188 I HA 0.251 4.416 4.170 -0.008 0.000 0.290 188 I C -0.976 175.003 176.117 -0.229 0.000 0.994 188 I CA -0.741 60.508 61.300 -0.085 0.000 1.191 188 I CB 0.628 38.602 38.000 -0.043 0.000 1.343 188 I HN 0.420 nan 8.210 nan 0.000 0.458 189 Y N 5.779 126.066 120.300 -0.023 0.000 2.330 189 Y HA 0.436 4.981 4.550 -0.008 0.000 0.336 189 Y C 0.097 175.802 175.900 -0.324 0.000 1.036 189 Y CA -0.502 57.501 58.100 -0.161 0.000 1.125 189 Y CB 1.367 39.803 38.460 -0.039 0.000 1.194 189 Y HN 0.384 nan 8.280 nan 0.000 0.469 190 K N 3.543 123.682 120.400 -0.435 0.000 2.203 190 K HA 0.709 5.024 4.320 -0.008 0.000 0.251 190 K C -1.670 174.422 176.600 -0.847 0.000 0.944 190 K CA -0.769 55.278 56.287 -0.399 0.000 0.829 190 K CB 1.770 34.180 32.500 -0.150 0.000 1.125 190 K HN 0.409 nan 8.250 nan 0.000 0.430 191 F N 1.277 121.281 119.950 0.089 0.000 2.608 191 F HA 0.520 5.043 4.527 -0.007 0.000 0.309 191 F C -0.715 175.088 175.800 0.005 0.000 1.103 191 F CA -0.926 57.102 58.000 0.047 0.000 0.954 191 F CB 1.546 40.583 39.000 0.061 0.000 1.267 191 F HN 0.320 nan 8.300 nan 0.000 0.444 192 I N 2.333 122.969 120.570 0.110 0.000 2.571 192 I HA 0.470 4.636 4.170 -0.008 0.000 0.289 192 I C -1.590 174.451 176.117 -0.127 0.000 1.115 192 I CA -0.454 60.840 61.300 -0.011 0.000 1.045 192 I CB 1.672 39.689 38.000 0.028 0.000 1.238 192 I HN 0.616 nan 8.210 nan 0.000 0.424 193 Q N 6.786 126.401 119.800 -0.308 0.000 2.413 193 Q HA 0.326 4.661 4.340 -0.008 0.000 0.258 193 Q C -0.122 175.817 176.000 -0.103 0.000 1.037 193 Q CA -0.450 55.185 55.803 -0.279 0.000 0.764 193 Q CB 1.172 29.533 28.738 -0.628 0.000 1.217 193 Q HN 0.705 nan 8.270 nan 0.000 0.490 194 K N 1.480 121.854 120.400 -0.043 0.000 2.404 194 K HA 0.198 4.513 4.320 -0.008 0.000 0.194 194 K C -0.312 176.250 176.600 -0.062 0.000 1.023 194 K CA -0.025 56.241 56.287 -0.034 0.000 1.094 194 K CB 0.556 33.027 32.500 -0.049 0.000 0.841 194 K HN 0.272 nan 8.250 nan 0.000 0.523 195 V N 4.044 123.925 119.914 -0.056 0.000 2.407 195 V HA 0.255 4.370 4.120 -0.008 0.000 0.278 195 V C -2.347 173.769 176.094 0.037 0.000 1.037 195 V CA -2.364 59.871 62.300 -0.108 0.000 0.900 195 V CB 1.147 32.755 31.823 -0.359 0.000 0.983 195 V HN 0.167 nan 8.190 nan 0.000 0.459 196 P HA 0.331 nan 4.420 nan 0.000 0.271 196 P C -0.682 176.712 177.300 0.157 0.000 1.220 196 P CA 0.176 63.330 63.100 0.091 0.000 0.768 196 P CB 0.485 32.215 31.700 0.050 0.000 0.848 197 I N 0.242 120.889 120.570 0.129 0.000 2.828 197 I HA 0.683 4.848 4.170 -0.008 0.000 0.302 197 I C -2.817 173.293 176.117 -0.012 0.000 1.101 197 I CA -3.493 57.857 61.300 0.083 0.000 1.031 197 I CB 2.625 40.673 38.000 0.081 0.000 1.231 197 I HN 0.048 nan 8.210 nan 0.000 0.427 198 P HA 0.057 nan 4.420 nan 0.000 0.271 198 P C 0.846 178.033 177.300 -0.188 0.000 1.218 198 P CA -0.309 62.714 63.100 -0.128 0.000 0.780 198 P CB 1.125 32.742 31.700 -0.138 0.000 0.901 199 C N 1.215 120.479 119.300 -0.059 0.000 2.437 199 C HA -0.110 4.345 4.460 -0.008 0.000 0.283 199 C C 2.538 177.504 174.990 -0.041 0.000 1.424 199 C CA 0.274 59.250 59.018 -0.070 0.000 1.782 199 C CB -2.622 25.095 27.740 -0.038 0.000 1.833 199 C HN 0.637 nan 8.230 nan 0.000 0.532 200 Y N 0.894 121.223 120.300 0.049 0.000 2.569 200 Y HA 0.220 4.766 4.550 -0.007 0.000 0.293 200 Y C 1.771 177.663 175.900 -0.014 0.000 1.144 200 Y CA 0.589 58.722 58.100 0.056 0.000 1.321 200 Y CB -0.914 37.670 38.460 0.207 0.000 0.982 200 Y HN 0.280 nan 8.280 nan 0.000 0.558 201 L N 0.823 121.812 121.223 -0.390 0.000 2.592 201 L HA 0.205 4.540 4.340 -0.008 0.000 0.227 201 L C 0.406 177.156 176.870 -0.200 0.000 1.127 201 L CA -0.177 54.467 54.840 -0.327 0.000 0.884 201 L CB -0.115 41.676 42.059 -0.446 0.000 1.065 201 L HN 0.157 nan 8.230 nan 0.000 0.457 202 I N 0.975 121.429 120.570 -0.194 0.000 2.618 202 I HA 0.166 4.332 4.170 -0.008 0.000 0.284 202 I C 0.457 176.449 176.117 -0.209 0.000 1.146 202 I CA 0.240 61.388 61.300 -0.253 0.000 1.425 202 I CB 0.640 38.412 38.000 -0.380 0.000 1.383 202 I HN 0.042 nan 8.210 nan 0.000 0.562 203 A N 6.856 129.553 122.820 -0.205 0.000 2.574 203 A HA 0.852 5.168 4.320 -0.008 0.000 0.297 203 A C -1.669 175.849 177.584 -0.110 0.000 1.062 203 A CA -0.472 51.449 52.037 -0.194 0.000 0.686 203 A CB 1.767 20.497 19.000 -0.450 0.000 1.285 203 A HN 0.539 nan 8.150 nan 0.000 0.403 204 L N 1.511 122.733 121.223 -0.002 0.000 2.455 204 L HA 0.849 5.184 4.340 -0.008 0.000 0.264 204 L C -1.535 175.363 176.870 0.047 0.000 0.968 204 L CA -0.561 54.246 54.840 -0.055 0.000 0.827 204 L CB 2.008 43.987 42.059 -0.133 0.000 1.317 204 L HN 1.085 nan 8.230 nan 0.000 0.407 205 V N 5.383 125.235 119.914 -0.102 0.000 2.789 205 V HA 0.852 4.968 4.120 -0.008 0.000 0.311 205 V C -1.562 174.349 176.094 -0.306 0.000 1.073 205 V CA -0.354 61.825 62.300 -0.202 0.000 0.921 205 V CB 2.423 34.038 31.823 -0.347 0.000 1.009 205 V HN 0.585 nan 8.190 nan 0.000 0.426 206 V N 5.912 125.623 119.914 -0.338 0.000 2.525 206 V HA 1.022 5.137 4.120 -0.008 0.000 0.299 206 V C 0.392 176.238 176.094 -0.414 0.000 1.034 206 V CA 0.487 62.628 62.300 -0.264 0.000 0.863 206 V CB 1.027 32.840 31.823 -0.017 0.000 0.999 206 V HN 1.334 nan 8.190 nan 0.000 0.423 207 G N 2.790 111.340 108.800 -0.417 0.000 2.428 207 G HA2 0.599 4.555 3.960 -0.008 0.000 0.304 207 G HA3 0.599 4.555 3.960 -0.008 0.000 0.304 207 G C -0.936 173.865 174.900 -0.166 0.000 1.303 207 G CA -0.066 44.814 45.100 -0.366 0.000 0.825 207 G HN 1.042 nan 8.290 nan 0.000 0.484 208 A N 0.455 123.266 122.820 -0.015 0.000 2.990 208 A HA 0.633 4.948 4.320 -0.008 0.000 0.282 208 A C 0.146 177.784 177.584 0.091 0.000 1.688 208 A CA -0.034 52.014 52.037 0.019 0.000 1.391 208 A CB -1.042 18.024 19.000 0.110 0.000 1.112 208 A HN 0.495 nan 8.150 nan 0.000 0.588 209 L N 1.140 122.408 121.223 0.075 0.000 2.325 209 L HA 0.500 4.835 4.340 -0.008 0.000 0.279 209 L C 0.337 177.355 176.870 0.248 0.000 1.054 209 L CA -0.330 54.618 54.840 0.180 0.000 0.804 209 L CB 1.492 43.647 42.059 0.160 0.000 1.200 209 L HN 0.576 nan 8.230 nan 0.000 0.436 210 E N 0.893 121.227 120.200 0.222 0.000 2.359 210 E HA 0.577 4.922 4.350 -0.008 0.000 0.266 210 E C -1.200 175.336 176.600 -0.106 0.000 0.920 210 E CA -0.711 55.744 56.400 0.091 0.000 0.788 210 E CB 2.499 32.221 29.700 0.038 0.000 1.279 210 E HN 0.613 nan 8.360 nan 0.000 0.438 211 S N 1.008 116.460 115.700 -0.414 0.000 2.542 211 S HA 0.708 5.173 4.470 -0.008 0.000 0.293 211 S C -0.676 173.673 174.600 -0.420 0.000 1.089 211 S CA -0.984 56.730 58.200 -0.811 0.000 0.961 211 S CB 2.307 64.474 63.200 -1.722 0.000 1.062 211 S HN 0.560 nan 8.310 nan 0.000 0.483 212 R N 1.087 121.378 120.500 -0.349 0.000 2.574 212 R HA 0.377 4.712 4.340 -0.008 0.000 0.288 212 R C -1.101 175.111 176.300 -0.147 0.000 1.004 212 R CA -0.445 55.546 56.100 -0.182 0.000 0.895 212 R CB 1.746 31.992 30.300 -0.090 0.000 1.191 212 R HN 0.872 nan 8.270 nan 0.000 0.444 213 Q N 4.341 124.084 119.800 -0.095 0.000 2.313 213 Q HA 0.192 4.527 4.340 -0.008 0.000 0.266 213 Q C 0.442 176.439 176.000 -0.004 0.000 0.989 213 Q CA 0.112 55.889 55.803 -0.044 0.000 0.890 213 Q CB 0.781 29.506 28.738 -0.023 0.000 1.200 213 Q HN 0.784 nan 8.270 nan 0.000 0.396 214 I N 0.197 120.782 120.570 0.024 0.000 4.338 214 I HA 0.599 4.764 4.170 -0.008 0.000 0.329 214 I C 0.392 176.542 176.117 0.055 0.000 1.378 214 I CA -0.304 61.024 61.300 0.047 0.000 1.170 214 I CB 1.026 39.071 38.000 0.076 0.000 1.206 214 I HN 0.529 nan 8.210 nan 0.000 0.432 215 G N 1.433 110.267 108.800 0.056 0.000 2.550 215 G HA2 0.394 4.349 3.960 -0.008 0.000 0.293 215 G HA3 0.394 4.349 3.960 -0.008 0.000 0.293 215 G C -2.733 172.202 174.900 0.058 0.000 1.402 215 G CA -0.395 44.739 45.100 0.057 0.000 0.784 215 G HN -0.235 nan 8.290 nan 0.000 0.482 216 P HA -0.003 nan 4.420 nan 0.000 0.226 216 P C 0.768 178.115 177.300 0.078 0.000 1.153 216 P CA 0.774 63.910 63.100 0.059 0.000 0.777 216 P CB 0.205 31.937 31.700 0.053 0.000 0.794 217 R N -1.996 118.559 120.500 0.093 0.000 2.642 217 R HA 0.392 4.727 4.340 -0.008 0.000 0.435 217 R C -0.712 175.681 176.300 0.155 0.000 1.046 217 R CA -0.354 55.822 56.100 0.127 0.000 1.103 217 R CB -0.190 30.192 30.300 0.136 0.000 1.425 217 R HN -0.210 nan 8.270 nan 0.000 0.586 218 T N 1.863 116.496 114.554 0.131 0.000 3.011 218 T HA 0.421 4.767 4.350 -0.008 0.000 0.303 218 T C -0.734 174.017 174.700 0.085 0.000 0.997 218 T CA -0.563 61.622 62.100 0.141 0.000 1.007 218 T CB 1.921 70.897 68.868 0.179 0.000 1.017 218 T HN 0.097 nan 8.240 nan 0.000 0.443 219 L N 3.012 124.277 121.223 0.070 0.000 2.325 219 L HA 0.784 5.120 4.340 -0.008 0.000 0.278 219 L C 0.298 177.146 176.870 -0.037 0.000 1.023 219 L CA -1.436 53.368 54.840 -0.061 0.000 0.811 219 L CB 1.711 43.646 42.059 -0.206 0.000 1.249 219 L HN 0.471 nan 8.230 nan 0.000 0.431 220 V N -1.471 118.387 119.914 -0.093 0.000 2.481 220 V HA 0.506 4.622 4.120 -0.008 0.000 0.286 220 V C -1.253 174.741 176.094 -0.168 0.000 1.042 220 V CA -0.528 61.769 62.300 -0.005 0.000 0.928 220 V CB 1.092 32.980 31.823 0.109 0.000 0.986 220 V HN 0.662 nan 8.190 nan 0.000 0.462 221 W N 3.316 124.618 121.300 0.002 0.000 2.632 221 W HA 0.817 5.473 4.660 -0.008 0.000 0.328 221 W C 0.271 176.779 176.519 -0.017 0.000 1.044 221 W CA 0.188 57.523 57.345 -0.017 0.000 1.225 221 W CB 2.128 31.552 29.460 -0.060 0.000 1.396 221 W HN 1.083 nan 8.180 nan 0.000 0.499 222 S N -0.009 115.829 115.700 0.230 0.000 2.655 222 S HA 0.419 4.885 4.470 -0.008 0.000 0.266 222 S C -0.937 173.761 174.600 0.163 0.000 1.149 222 S CA -1.301 56.996 58.200 0.162 0.000 0.818 222 S CB 1.278 64.545 63.200 0.112 0.000 1.130 222 S HN 0.477 nan 8.310 nan 0.000 0.476 223 E N 0.866 121.155 120.200 0.148 0.000 2.408 223 E HA 0.148 4.493 4.350 -0.008 0.000 0.259 223 E C 0.859 177.514 176.600 0.091 0.000 1.110 223 E CA -0.355 56.125 56.400 0.134 0.000 0.929 223 E CB 0.572 30.348 29.700 0.125 0.000 0.971 223 E HN 0.661 nan 8.360 nan 0.000 0.438 224 K N 1.790 122.239 120.400 0.083 0.000 2.107 224 K HA -0.296 4.020 4.320 -0.008 0.000 0.211 224 K C 1.329 177.955 176.600 0.043 0.000 1.049 224 K CA 2.030 58.351 56.287 0.057 0.000 0.927 224 K CB 0.062 32.595 32.500 0.056 0.000 0.714 224 K HN 0.355 nan 8.250 nan 0.000 0.452 225 E N 0.095 120.321 120.200 0.044 0.000 2.265 225 E HA -0.162 4.183 4.350 -0.008 0.000 0.196 225 E C 1.555 178.170 176.600 0.026 0.000 0.996 225 E CA 1.060 57.478 56.400 0.030 0.000 0.832 225 E CB 0.111 29.829 29.700 0.029 0.000 0.756 225 E HN 0.333 nan 8.360 nan 0.000 0.491 226 Q N -0.995 118.827 119.800 0.036 0.000 2.282 226 Q HA 0.140 4.475 4.340 -0.008 0.000 0.206 226 Q C 1.628 177.652 176.000 0.040 0.000 0.878 226 Q CA -0.003 55.822 55.803 0.036 0.000 0.944 226 Q CB 0.662 29.428 28.738 0.047 0.000 1.100 226 Q HN 0.090 nan 8.270 nan 0.000 0.509 227 V N 0.646 120.581 119.914 0.036 0.000 2.295 227 V HA -0.279 3.836 4.120 -0.008 0.000 0.246 227 V C 2.162 178.270 176.094 0.024 0.000 1.049 227 V CA 2.241 64.558 62.300 0.029 0.000 1.024 227 V CB -0.280 31.548 31.823 0.008 0.000 0.648 227 V HN 0.467 nan 8.190 nan 0.000 0.447 228 E N 0.220 120.428 120.200 0.014 0.000 2.051 228 E HA -0.289 4.056 4.350 -0.008 0.000 0.192 228 E C 2.322 178.933 176.600 0.017 0.000 0.991 228 E CA 1.658 58.066 56.400 0.013 0.000 0.799 228 E CB -0.106 29.593 29.700 -0.002 0.000 0.748 228 E HN 0.544 nan 8.360 nan 0.000 0.449 229 K N -0.088 120.313 120.400 0.001 0.000 2.097 229 K HA -0.082 4.234 4.320 -0.008 0.000 0.205 229 K C 2.154 178.732 176.600 -0.037 0.000 1.050 229 K CA 1.475 57.754 56.287 -0.013 0.000 0.938 229 K CB 0.045 32.530 32.500 -0.026 0.000 0.718 229 K HN -0.010 nan 8.250 nan 0.000 0.442 230 S N 0.508 116.192 115.700 -0.027 0.000 2.383 230 S HA -0.076 4.389 4.470 -0.008 0.000 0.227 230 S C 1.999 176.589 174.600 -0.016 0.000 1.026 230 S CA 0.981 59.146 58.200 -0.058 0.000 0.981 230 S CB -0.149 63.148 63.200 0.160 0.000 0.818 230 S HN 0.506 nan 8.310 nan 0.000 0.472 231 A N 0.468 123.321 122.820 0.055 0.000 1.933 231 A HA -0.133 4.183 4.320 -0.008 0.000 0.218 231 A C 1.944 179.567 177.584 0.064 0.000 1.175 231 A CA 1.518 53.602 52.037 0.079 0.000 0.628 231 A CB -0.830 18.208 19.000 0.062 0.000 0.814 231 A HN 0.601 nan 8.150 nan 0.000 0.444 232 Y N 0.260 120.518 120.300 -0.070 0.000 2.184 232 Y HA -0.112 4.433 4.550 -0.008 0.000 0.290 232 Y C 2.330 178.152 175.900 -0.129 0.000 1.129 232 Y CA 2.126 60.183 58.100 -0.072 0.000 1.144 232 Y CB -0.249 38.168 38.460 -0.072 0.000 0.995 232 Y HN 0.376 nan 8.280 nan 0.000 0.513 233 E N -0.133 119.942 120.200 -0.210 0.000 2.118 233 E HA -0.179 4.166 4.350 -0.008 0.000 0.195 233 E C 0.973 177.296 176.600 -0.462 0.000 0.992 233 E CA 1.620 57.735 56.400 -0.475 0.000 0.804 233 E CB -0.387 28.750 29.700 -0.938 0.000 0.741 233 E HN 0.463 nan 8.360 nan 0.000 0.458 234 F N -0.220 119.739 119.950 0.014 0.000 2.639 234 F HA 0.229 4.752 4.527 -0.008 0.000 0.300 234 F C 1.830 177.638 175.800 0.013 0.000 1.109 234 F CA 0.261 58.285 58.000 0.039 0.000 1.335 234 F CB -0.322 38.727 39.000 0.081 0.000 1.014 234 F HN -0.003 nan 8.300 nan 0.000 0.537 235 S N -0.705 115.017 115.700 0.037 0.000 2.474 235 S HA -0.168 4.298 4.470 -0.008 0.000 0.235 235 S C 1.412 176.029 174.600 0.029 0.000 0.997 235 S CA 0.920 59.123 58.200 0.006 0.000 0.949 235 S CB -0.483 62.650 63.200 -0.112 0.000 0.766 235 S HN 0.514 nan 8.310 nan 0.000 0.517 236 E N 0.999 121.230 120.200 0.053 0.000 2.478 236 E HA -0.008 4.337 4.350 -0.008 0.000 0.198 236 E C 1.579 178.223 176.600 0.074 0.000 1.046 236 E CA 0.808 57.245 56.400 0.062 0.000 0.870 236 E CB -0.393 29.364 29.700 0.097 0.000 0.818 236 E HN 0.546 nan 8.360 nan 0.000 0.527 237 T N 1.261 115.882 114.554 0.111 0.000 2.635 237 T HA -0.262 4.083 4.350 -0.008 0.000 0.267 237 T C 1.819 176.535 174.700 0.026 0.000 1.040 237 T CA 1.854 64.012 62.100 0.097 0.000 1.156 237 T CB -0.198 68.777 68.868 0.179 0.000 0.863 237 T HN 0.191 nan 8.240 nan 0.000 0.430 238 E N 1.407 121.629 120.200 0.036 0.000 2.077 238 E HA -0.132 4.214 4.350 -0.008 0.000 0.193 238 E C 2.353 178.947 176.600 -0.009 0.000 0.989 238 E CA 1.755 58.159 56.400 0.007 0.000 0.800 238 E CB -0.432 29.283 29.700 0.025 0.000 0.746 238 E HN 0.578 nan 8.360 nan 0.000 0.452 239 S N -0.399 115.298 115.700 -0.005 0.000 2.382 239 S HA -0.197 4.269 4.470 -0.008 0.000 0.228 239 S C 2.111 176.694 174.600 -0.028 0.000 1.027 239 S CA 1.471 59.659 58.200 -0.019 0.000 0.991 239 S CB -0.400 62.783 63.200 -0.029 0.000 0.823 239 S HN 0.303 nan 8.310 nan 0.000 0.469 240 M N 0.735 120.322 119.600 -0.022 0.000 2.200 240 M HA 0.116 4.592 4.480 -0.008 0.000 0.265 240 M C 2.209 178.482 176.300 -0.046 0.000 1.066 240 M CA 1.133 56.419 55.300 -0.024 0.000 1.127 240 M CB -0.585 32.017 32.600 0.003 0.000 1.379 240 M HN 0.284 nan 8.290 nan 0.000 0.420 241 L N 0.109 121.285 121.223 -0.078 0.000 2.046 241 L HA -0.226 4.109 4.340 -0.008 0.000 0.208 241 L C 2.475 179.340 176.870 -0.008 0.000 1.077 241 L CA 1.417 56.208 54.840 -0.081 0.000 0.747 241 L CB -0.533 41.413 42.059 -0.188 0.000 0.896 241 L HN 0.255 nan 8.230 nan 0.000 0.432 242 K N 0.013 120.403 120.400 -0.017 0.000 2.097 242 K HA -0.135 4.180 4.320 -0.008 0.000 0.206 242 K C 2.059 178.644 176.600 -0.026 0.000 1.049 242 K CA 1.286 57.572 56.287 -0.001 0.000 0.933 242 K CB -0.175 32.323 32.500 -0.003 0.000 0.717 242 K HN 0.269 nan 8.250 nan 0.000 0.442 243 I N 0.969 121.512 120.570 -0.044 0.000 2.202 243 I HA -0.256 3.910 4.170 -0.008 0.000 0.242 243 I C 2.512 178.554 176.117 -0.124 0.000 1.091 243 I CA 1.029 62.289 61.300 -0.066 0.000 1.368 243 I CB -0.382 37.587 38.000 -0.052 0.000 1.058 243 I HN 0.115 nan 8.210 nan 0.000 0.410 244 A N 0.443 123.174 122.820 -0.148 0.000 1.908 244 A HA -0.251 4.065 4.320 -0.008 0.000 0.218 244 A C 2.222 179.433 177.584 -0.621 0.000 1.181 244 A CA 1.845 53.660 52.037 -0.370 0.000 0.627 244 A CB -0.617 18.243 19.000 -0.233 0.000 0.818 244 A HN 0.465 nan 8.150 nan 0.000 0.445 245 E N -0.800 119.254 120.200 -0.243 0.000 2.106 245 E HA -0.209 4.136 4.350 -0.008 0.000 0.192 245 E C 1.713 178.240 176.600 -0.123 0.000 0.984 245 E CA 1.044 57.406 56.400 -0.064 0.000 0.806 245 E CB -0.176 29.620 29.700 0.159 0.000 0.750 245 E HN 0.669 nan 8.360 nan 0.000 0.458 246 D N 0.697 121.028 120.400 -0.114 0.000 2.144 246 D HA -0.142 4.494 4.640 -0.008 0.000 0.199 246 D C 1.841 178.054 176.300 -0.146 0.000 0.984 246 D CA 0.985 54.928 54.000 -0.095 0.000 0.834 246 D CB 0.023 40.782 40.800 -0.069 0.000 0.955 246 D HN 0.108 nan 8.370 nan 0.000 0.465 247 L N -1.189 119.896 121.223 -0.230 0.000 2.209 247 L HA 0.197 4.533 4.340 -0.008 0.000 0.207 247 L C 2.293 178.978 176.870 -0.309 0.000 1.094 247 L CA 1.121 55.818 54.840 -0.237 0.000 0.790 247 L CB -0.133 41.787 42.059 -0.232 0.000 0.932 247 L HN 0.138 nan 8.230 nan 0.000 0.447 248 G N -1.167 107.292 108.800 -0.569 0.000 3.062 248 G HA2 0.464 4.420 3.960 -0.008 0.000 0.228 248 G HA3 0.464 4.420 3.960 -0.008 0.000 0.228 248 G C 0.641 175.364 174.900 -0.294 0.000 1.094 248 G CA 0.465 45.164 45.100 -0.667 0.000 0.782 248 G HN 0.483 nan 8.290 nan 0.000 0.541 249 G N -0.199 108.534 108.800 -0.112 0.000 2.592 249 G HA2 0.016 3.972 3.960 -0.008 0.000 0.684 249 G HA3 0.016 3.972 3.960 -0.008 0.000 0.684 249 G C -3.054 172.092 174.900 0.410 0.000 1.291 249 G CA -0.766 44.419 45.100 0.142 0.000 0.891 249 G HN 0.171 nan 8.290 nan 0.000 0.544 250 P HA 0.239 nan 4.420 nan 0.000 0.265 250 P C -0.477 177.080 177.300 0.428 0.000 1.187 250 P CA 0.124 63.419 63.100 0.326 0.000 0.766 250 P CB 0.214 32.011 31.700 0.162 0.000 0.820 251 Y N 3.776 124.250 120.300 0.290 0.000 2.480 251 Y HA 0.209 4.754 4.550 -0.008 0.000 0.341 251 Y C 1.134 177.011 175.900 -0.039 0.000 1.031 251 Y CA -0.103 58.040 58.100 0.071 0.000 1.295 251 Y CB 0.334 38.900 38.460 0.178 0.000 1.162 251 Y HN 0.181 nan 8.280 nan 0.000 0.523 252 V N 3.179 122.684 119.914 -0.681 0.000 3.647 252 V HA 0.075 4.190 4.120 -0.008 0.000 0.279 252 V C 0.466 176.098 176.094 -0.771 0.000 1.314 252 V CA 0.161 62.062 62.300 -0.666 0.000 1.125 252 V CB -0.822 30.586 31.823 -0.691 0.000 0.907 252 V HN 0.847 nan 8.190 nan 0.000 0.434 253 W N 0.969 121.822 121.300 -0.744 0.000 3.278 253 W HA 0.660 5.315 4.660 -0.008 0.000 0.308 253 W C 1.847 178.284 176.519 -0.137 0.000 1.253 253 W CA 0.644 57.710 57.345 -0.466 0.000 1.759 253 W CB 0.394 29.505 29.460 -0.581 0.000 1.093 253 W HN 0.497 nan 8.180 nan 0.000 0.648 254 G N 0.615 109.505 108.800 0.150 0.000 4.951 254 G HA2 -0.375 3.581 3.960 -0.008 0.000 0.295 254 G HA3 -0.375 3.581 3.960 -0.008 0.000 0.295 254 G C 0.197 175.331 174.900 0.390 0.000 1.540 254 G CA 0.395 45.636 45.100 0.234 0.000 1.044 254 G HN 0.188 nan 8.290 nan 0.000 0.731 255 Q N -0.051 119.969 119.800 0.367 0.000 2.227 255 Q HA 0.704 5.039 4.340 -0.008 0.000 0.245 255 Q C -1.192 175.087 176.000 0.464 0.000 0.926 255 Q CA -0.686 55.324 55.803 0.345 0.000 0.895 255 Q CB 1.107 29.990 28.738 0.241 0.000 1.230 255 Q HN 0.668 nan 8.270 nan 0.000 0.450 256 Y N 2.788 123.219 120.300 0.219 0.000 2.749 256 Y HA 0.373 4.918 4.550 -0.008 0.000 0.343 256 Y C -1.353 174.624 175.900 0.128 0.000 1.015 256 Y CA -0.773 57.414 58.100 0.145 0.000 1.270 256 Y CB 0.569 38.993 38.460 -0.061 0.000 1.097 256 Y HN 0.635 nan 8.280 nan 0.000 0.571 257 D N 3.668 123.962 120.400 -0.176 0.000 2.332 257 D HA 0.504 5.139 4.640 -0.008 0.000 0.252 257 D C -0.788 175.369 176.300 -0.238 0.000 1.050 257 D CA -0.127 53.845 54.000 -0.045 0.000 0.970 257 D CB 1.934 42.860 40.800 0.211 0.000 1.141 257 D HN 0.492 nan 8.370 nan 0.000 0.485 258 L N 1.151 122.352 121.223 -0.036 0.000 2.365 258 L HA 0.470 4.805 4.340 -0.008 0.000 0.273 258 L C -1.032 175.873 176.870 0.058 0.000 1.000 258 L CA -1.081 53.717 54.840 -0.070 0.000 0.819 258 L CB 1.875 43.882 42.059 -0.086 0.000 1.284 258 L HN 0.088 nan 8.230 nan 0.000 0.418 259 L N 3.957 125.144 121.223 -0.060 0.000 2.325 259 L HA 0.541 4.876 4.340 -0.008 0.000 0.281 259 L C -0.838 175.908 176.870 -0.206 0.000 1.004 259 L CA -0.315 54.442 54.840 -0.139 0.000 0.823 259 L CB 1.826 43.602 42.059 -0.472 0.000 1.236 259 L HN 0.250 nan 8.230 nan 0.000 0.415 260 V N 6.357 126.219 119.914 -0.087 0.000 2.318 260 V HA 0.334 4.450 4.120 -0.008 0.000 0.271 260 V C 0.473 176.476 176.094 -0.152 0.000 1.030 260 V CA -0.683 61.574 62.300 -0.071 0.000 0.844 260 V CB 0.801 32.689 31.823 0.110 0.000 1.015 260 V HN 0.568 nan 8.190 nan 0.000 0.460 261 L N 6.474 127.505 121.223 -0.320 0.000 2.479 261 L HA 0.485 4.820 4.340 -0.008 0.000 0.248 261 L C -1.886 174.810 176.870 -0.290 0.000 1.205 261 L CA -1.601 52.994 54.840 -0.409 0.000 0.817 261 L CB 0.481 42.081 42.059 -0.766 0.000 1.162 261 L HN 0.376 nan 8.230 nan 0.000 0.486 262 P HA 0.163 nan 4.420 nan 0.000 0.273 262 P C -2.100 175.138 177.300 -0.103 0.000 1.250 262 P CA -1.088 61.864 63.100 -0.248 0.000 0.793 262 P CB -0.232 31.257 31.700 -0.352 0.000 1.011 263 P HA -0.127 nan 4.420 nan 0.000 0.225 263 P C 1.009 178.346 177.300 0.062 0.000 1.148 263 P CA 1.410 64.527 63.100 0.030 0.000 0.779 263 P CB -0.372 31.352 31.700 0.039 0.000 0.780 264 S N -2.154 113.608 115.700 0.103 0.000 2.603 264 S HA 0.015 4.480 4.470 -0.008 0.000 0.220 264 S C 0.479 175.179 174.600 0.166 0.000 0.967 264 S CA -0.547 57.747 58.200 0.157 0.000 0.920 264 S CB -1.315 62.032 63.200 0.245 0.000 0.773 264 S HN -0.050 nan 8.310 nan 0.000 0.529 265 F N 4.899 124.775 119.950 -0.123 0.000 2.612 265 F HA 0.222 4.745 4.527 -0.007 0.000 0.389 265 F C -1.505 174.152 175.800 -0.238 0.000 1.055 265 F CA -2.262 55.581 58.000 -0.263 0.000 1.232 265 F CB 0.741 39.500 39.000 -0.401 0.000 1.044 265 F HN 0.046 nan 8.300 nan 0.000 0.560 266 P HA -0.083 nan 4.420 nan 0.000 0.233 266 P C -0.799 175.765 177.300 -1.227 0.000 1.167 266 P CA 1.329 63.763 63.100 -1.110 0.000 0.770 266 P CB 0.055 30.889 31.700 -1.442 0.000 0.837 267 Y N -2.048 117.773 120.300 -0.798 0.000 2.633 267 Y HA 0.550 5.095 4.550 -0.009 0.000 0.339 267 Y C 2.090 177.920 175.900 -0.115 0.000 1.045 267 Y CA -0.979 56.881 58.100 -0.401 0.000 1.098 267 Y CB 0.737 38.989 38.460 -0.348 0.000 1.296 267 Y HN -0.338 nan 8.280 nan 0.000 0.494 268 G N -0.179 108.694 108.800 0.122 0.000 2.394 268 G HA2 0.334 4.289 3.960 -0.008 0.000 0.215 268 G HA3 0.334 4.289 3.960 -0.008 0.000 0.215 268 G C 0.282 175.325 174.900 0.237 0.000 1.165 268 G CA 0.789 45.953 45.100 0.107 0.000 0.784 268 G HN 0.887 nan 8.290 nan 0.000 0.535 269 G N -1.271 107.702 108.800 0.289 0.000 2.703 269 G HA2 0.510 4.465 3.960 -0.008 0.000 0.294 269 G HA3 0.510 4.465 3.960 -0.008 0.000 0.294 269 G C -1.732 173.376 174.900 0.347 0.000 1.451 269 G CA -0.695 44.595 45.100 0.317 0.000 0.869 269 G HN 0.259 nan 8.290 nan 0.000 0.516 270 M N 1.638 121.435 119.600 0.330 0.000 2.263 270 M HA 0.396 4.871 4.480 -0.008 0.000 0.295 270 M C 0.437 176.806 176.300 0.115 0.000 1.028 270 M CA -0.940 54.491 55.300 0.219 0.000 0.921 270 M CB 1.899 34.643 32.600 0.241 0.000 1.601 270 M HN 0.551 nan 8.290 nan 0.000 0.440 271 E N 2.456 122.720 120.200 0.107 0.000 2.379 271 E HA 0.028 4.374 4.350 -0.008 0.000 0.209 271 E C -1.058 175.488 176.600 -0.090 0.000 1.284 271 E CA 0.031 56.478 56.400 0.079 0.000 1.333 271 E CB -1.161 28.617 29.700 0.130 0.000 1.307 271 E HN 0.826 nan 8.360 nan 0.000 0.441 272 N N 3.732 122.329 118.700 -0.173 0.000 2.411 272 N HA 0.023 4.758 4.740 -0.008 0.000 0.261 272 N C -2.333 173.024 175.510 -0.256 0.000 1.248 272 N CA -0.759 52.127 53.050 -0.273 0.000 0.885 272 N CB 0.390 38.600 38.487 -0.461 0.000 1.062 272 N HN 0.229 nan 8.380 nan 0.000 0.471 273 P HA -0.023 nan 4.420 nan 0.000 0.271 273 P C 0.095 177.276 177.300 -0.199 0.000 1.216 273 P CA -0.113 62.714 63.100 -0.455 0.000 0.771 273 P CB 0.658 31.941 31.700 -0.697 0.000 0.864 274 C N 0.736 119.971 119.300 -0.108 0.000 5.421 274 C HA -0.199 4.257 4.460 -0.008 0.000 0.284 274 C C 0.493 175.450 174.990 -0.054 0.000 1.996 274 C CA 0.673 59.707 59.018 0.027 0.000 1.808 274 C CB -2.564 25.226 27.740 0.082 0.000 2.619 274 C HN 0.667 nan 8.230 nan 0.000 0.505 275 L N 0.982 122.136 121.223 -0.116 0.000 2.490 275 L HA 0.446 4.781 4.340 -0.008 0.000 0.261 275 L C 0.063 176.919 176.870 -0.023 0.000 1.232 275 L CA 0.411 55.206 54.840 -0.076 0.000 0.892 275 L CB 0.668 42.733 42.059 0.009 0.000 1.085 275 L HN 0.172 nan 8.230 nan 0.000 0.491 276 T N 3.421 117.868 114.554 -0.178 0.000 2.916 276 T HA 0.334 4.679 4.350 -0.008 0.000 0.303 276 T C -0.330 174.458 174.700 0.147 0.000 1.025 276 T CA 0.675 62.754 62.100 -0.036 0.000 1.142 276 T CB 0.027 68.854 68.868 -0.069 0.000 0.947 276 T HN 0.149 nan 8.240 nan 0.000 0.544 277 F N 3.178 123.020 119.950 -0.180 0.000 2.420 277 F HA 0.580 5.103 4.527 -0.008 0.000 0.342 277 F C 0.434 176.033 175.800 -0.335 0.000 1.113 277 F CA -1.489 56.302 58.000 -0.349 0.000 1.059 277 F CB 1.119 39.821 39.000 -0.496 0.000 1.128 277 F HN 0.286 nan 8.300 nan 0.000 0.475 278 V N -0.567 119.190 119.914 -0.263 0.000 3.078 278 V HA 0.663 4.779 4.120 -0.008 0.000 0.311 278 V C -0.283 175.734 176.094 -0.129 0.000 1.138 278 V CA -0.882 61.348 62.300 -0.117 0.000 1.007 278 V CB 1.410 33.159 31.823 -0.124 0.000 1.045 278 V HN 0.713 nan 8.190 nan 0.000 0.432 279 T N 2.948 117.576 114.554 0.123 0.000 2.919 279 T HA 0.387 4.733 4.350 -0.008 0.000 0.302 279 T C -1.144 173.631 174.700 0.126 0.000 1.031 279 T CA -0.735 61.456 62.100 0.153 0.000 1.127 279 T CB 1.190 70.164 68.868 0.176 0.000 0.952 279 T HN 0.861 nan 8.240 nan 0.000 0.540 280 P HA 0.003 nan 4.420 nan 0.000 0.237 280 P C 1.236 178.615 177.300 0.132 0.000 1.178 280 P CA 0.673 63.840 63.100 0.112 0.000 0.766 280 P CB -0.307 31.425 31.700 0.054 0.000 0.876 281 T N -2.976 111.668 114.554 0.150 0.000 3.113 281 T HA 0.010 4.355 4.350 -0.008 0.000 0.263 281 T C 1.701 176.520 174.700 0.198 0.000 1.143 281 T CA 0.362 62.571 62.100 0.183 0.000 1.090 281 T CB -1.104 67.936 68.868 0.286 0.000 0.922 281 T HN 0.072 nan 8.240 nan 0.000 0.521 282 L N 0.027 121.382 121.223 0.220 0.000 2.552 282 L HA 0.267 4.602 4.340 -0.008 0.000 0.227 282 L C 1.037 178.010 176.870 0.172 0.000 1.146 282 L CA 0.380 55.372 54.840 0.254 0.000 0.858 282 L CB -0.434 41.879 42.059 0.423 0.000 0.969 282 L HN 0.315 nan 8.230 nan 0.000 0.451 283 L N 0.768 122.057 121.223 0.109 0.000 2.437 283 L HA 0.153 4.488 4.340 -0.008 0.000 0.243 283 L C 1.624 178.503 176.870 0.014 0.000 1.346 283 L CA -0.417 54.428 54.840 0.009 0.000 1.233 283 L CB 0.104 42.166 42.059 0.006 0.000 1.436 283 L HN 0.087 nan 8.230 nan 0.000 0.416 284 A N 0.775 123.608 122.820 0.022 0.000 2.119 284 A HA 0.238 4.553 4.320 -0.008 0.000 0.216 284 A C 1.901 179.490 177.584 0.008 0.000 1.152 284 A CA 0.919 52.967 52.037 0.018 0.000 0.708 284 A CB -0.129 18.883 19.000 0.020 0.000 0.805 284 A HN 0.777 nan 8.150 nan 0.000 0.460 285 G N -0.152 108.658 108.800 0.018 0.000 2.175 285 G HA2 -0.277 3.679 3.960 -0.008 0.000 0.244 285 G HA3 -0.277 3.679 3.960 -0.008 0.000 0.244 285 G C 0.241 175.214 174.900 0.122 0.000 0.982 285 G CA 0.967 46.089 45.100 0.037 0.000 0.641 285 G HN 0.953 nan 8.290 nan 0.000 0.527 286 D N -0.608 119.857 120.400 0.107 0.000 2.556 286 D HA 0.220 4.855 4.640 -0.008 0.000 0.237 286 D C 1.007 177.350 176.300 0.071 0.000 1.296 286 D CA 0.397 54.470 54.000 0.122 0.000 0.807 286 D CB -0.425 40.397 40.800 0.037 0.000 1.084 286 D HN 0.489 nan 8.370 nan 0.000 0.510 287 K N -0.185 120.241 120.400 0.043 0.000 3.446 287 K HA -0.216 4.100 4.320 -0.008 0.000 0.312 287 K C 1.097 177.746 176.600 0.082 0.000 1.329 287 K CA 1.065 57.367 56.287 0.025 0.000 0.935 287 K CB -2.389 30.098 32.500 -0.021 0.000 1.281 287 K HN 0.332 nan 8.250 nan 0.000 0.457 288 S N 0.299 116.028 115.700 0.049 0.000 2.515 288 S HA 0.000 4.465 4.470 -0.008 0.000 0.231 288 S C 1.307 176.000 174.600 0.155 0.000 0.987 288 S CA 0.468 58.692 58.200 0.040 0.000 0.936 288 S CB -0.029 63.076 63.200 -0.158 0.000 0.766 288 S HN 0.407 nan 8.310 nan 0.000 0.528 289 L N 2.371 123.693 121.223 0.165 0.000 2.791 289 L HA 0.286 4.621 4.340 -0.008 0.000 0.239 289 L C 1.924 178.949 176.870 0.258 0.000 1.203 289 L CA 0.240 55.208 54.840 0.212 0.000 1.002 289 L CB -0.138 42.034 42.059 0.189 0.000 1.295 289 L HN 0.425 nan 8.230 nan 0.000 0.504 290 S N -0.510 115.356 115.700 0.276 0.000 2.547 290 S HA -0.150 4.315 4.470 -0.008 0.000 0.235 290 S C 1.729 176.491 174.600 0.270 0.000 0.980 290 S CA 0.783 59.163 58.200 0.301 0.000 0.941 290 S CB -0.492 62.889 63.200 0.301 0.000 0.763 290 S HN 0.671 nan 8.310 nan 0.000 0.532 291 N N 2.025 120.881 118.700 0.260 0.000 2.272 291 N HA -0.111 4.624 4.740 -0.008 0.000 0.185 291 N C 1.458 177.092 175.510 0.207 0.000 1.014 291 N CA 1.369 54.553 53.050 0.223 0.000 0.870 291 N CB -0.739 37.857 38.487 0.182 0.000 0.975 291 N HN 0.431 nan 8.380 nan 0.000 0.433 292 V N 1.504 121.533 119.914 0.191 0.000 2.515 292 V HA -0.152 3.964 4.120 -0.008 0.000 0.250 292 V C 2.534 178.753 176.094 0.207 0.000 1.058 292 V CA 0.886 63.289 62.300 0.171 0.000 1.064 292 V CB -0.396 31.507 31.823 0.133 0.000 0.675 292 V HN 0.218 nan 8.190 nan 0.000 0.461 293 I N 0.916 121.599 120.570 0.188 0.000 2.252 293 I HA -0.167 3.998 4.170 -0.008 0.000 0.245 293 I C 2.744 178.976 176.117 0.192 0.000 1.102 293 I CA 1.855 63.259 61.300 0.174 0.000 1.385 293 I CB -1.800 36.287 38.000 0.145 0.000 1.064 293 I HN 0.302 nan 8.210 nan 0.000 0.414 294 A N 0.217 123.149 122.820 0.187 0.000 1.940 294 A HA -0.287 4.028 4.320 -0.008 0.000 0.219 294 A C 2.313 180.000 177.584 0.172 0.000 1.176 294 A CA 2.107 54.236 52.037 0.153 0.000 0.631 294 A CB -1.171 17.922 19.000 0.155 0.000 0.814 294 A HN 0.577 nan 8.150 nan 0.000 0.446 295 H N -0.694 118.447 119.070 0.118 0.000 2.270 295 H HA -0.159 4.392 4.556 -0.008 0.000 0.299 295 H C 2.256 177.667 175.328 0.137 0.000 1.077 295 H CA 2.136 58.245 56.048 0.101 0.000 1.294 295 H CB 0.023 29.863 29.762 0.131 0.000 1.371 295 H HN 0.358 nan 8.280 nan 0.000 0.491 296 Q N 0.524 120.574 119.800 0.417 0.000 2.096 296 Q HA -0.124 4.211 4.340 -0.008 0.000 0.204 296 Q C 2.684 178.886 176.000 0.337 0.000 0.982 296 Q CA 1.508 57.571 55.803 0.432 0.000 0.850 296 Q CB -0.496 28.482 28.738 0.401 0.000 0.901 296 Q HN 0.613 nan 8.270 nan 0.000 0.422 297 I N 0.434 121.136 120.570 0.220 0.000 2.163 297 I HA -0.298 3.868 4.170 -0.008 0.000 0.243 297 I C 2.089 178.383 176.117 0.295 0.000 1.085 297 I CA 1.246 62.593 61.300 0.079 0.000 1.347 297 I CB -0.272 37.665 38.000 -0.105 0.000 1.044 297 I HN 0.079 nan 8.210 nan 0.000 0.408 298 S N -0.687 115.150 115.700 0.227 0.000 2.399 298 S HA -0.193 4.273 4.470 -0.008 0.000 0.231 298 S C 1.859 176.646 174.600 0.311 0.000 1.022 298 S CA 0.926 59.286 58.200 0.267 0.000 0.983 298 S CB -0.458 62.759 63.200 0.029 0.000 0.803 298 S HN 0.434 nan 8.310 nan 0.000 0.480 299 H N 1.408 120.593 119.070 0.191 0.000 2.518 299 H HA 0.087 4.638 4.556 -0.008 0.000 0.289 299 H C 2.048 177.438 175.328 0.103 0.000 1.051 299 H CA 0.871 57.003 56.048 0.139 0.000 1.280 299 H CB -0.321 29.502 29.762 0.101 0.000 1.380 299 H HN 0.316 nan 8.280 nan 0.000 0.566 300 S N -0.391 115.428 115.700 0.198 0.000 2.500 300 S HA -0.130 4.336 4.470 -0.008 0.000 0.239 300 S C 1.495 175.986 174.600 -0.181 0.000 0.989 300 S CA 0.596 58.716 58.200 -0.133 0.000 0.951 300 S CB 0.019 63.057 63.200 -0.269 0.000 0.759 300 S HN 0.545 nan 8.310 nan 0.000 0.523 301 W N 1.087 122.516 121.300 0.214 0.000 3.434 301 W HA 0.138 4.793 4.660 -0.008 0.000 0.238 301 W C 0.658 177.228 176.519 0.086 0.000 0.910 301 W CA 0.250 57.672 57.345 0.129 0.000 2.222 301 W CB -1.124 28.393 29.460 0.095 0.000 1.131 301 W HN 0.139 nan 8.180 nan 0.000 0.636 302 T N -0.110 114.669 114.554 0.375 0.000 2.992 302 T HA 0.556 4.902 4.350 -0.008 0.000 0.299 302 T C 0.623 175.514 174.700 0.318 0.000 1.027 302 T CA 0.664 62.919 62.100 0.259 0.000 1.001 302 T CB 0.499 69.523 68.868 0.260 0.000 1.005 302 T HN 0.420 nan 8.240 nan 0.000 0.599 303 G N 4.091 113.031 108.800 0.234 0.000 3.753 303 G HA2 -0.228 3.728 3.960 -0.008 0.000 0.196 303 G HA3 -0.228 3.728 3.960 -0.008 0.000 0.196 303 G C 0.931 175.920 174.900 0.149 0.000 1.538 303 G CA -0.189 45.059 45.100 0.247 0.000 1.040 303 G HN 0.517 nan 8.290 nan 0.000 0.427 304 N N 0.547 119.314 118.700 0.112 0.000 2.395 304 N HA 0.310 5.045 4.740 -0.008 0.000 0.175 304 N C 2.115 177.747 175.510 0.204 0.000 1.029 304 N CA 0.827 53.905 53.050 0.046 0.000 0.897 304 N CB 0.146 38.494 38.487 -0.233 0.000 0.991 304 N HN 0.464 nan 8.380 nan 0.000 0.441 305 L N -0.062 121.241 121.223 0.133 0.000 2.265 305 L HA 0.202 4.538 4.340 -0.008 0.000 0.195 305 L C 0.042 176.837 176.870 -0.125 0.000 1.083 305 L CA 0.398 55.200 54.840 -0.064 0.000 0.798 305 L CB 0.171 42.116 42.059 -0.191 0.000 0.989 305 L HN -0.158 nan 8.230 nan 0.000 0.472 306 V N 0.740 120.591 119.914 -0.105 0.000 2.385 306 V HA 0.248 4.363 4.120 -0.008 0.000 0.269 306 V C -0.229 175.818 176.094 -0.079 0.000 1.043 306 V CA -0.160 62.047 62.300 -0.154 0.000 0.906 306 V CB 0.930 32.565 31.823 -0.314 0.000 0.995 306 V HN 0.217 nan 8.190 nan 0.000 0.467 307 T N 4.723 119.229 114.554 -0.081 0.000 2.863 307 T HA 0.340 4.686 4.350 -0.008 0.000 0.285 307 T C 0.010 174.652 174.700 -0.097 0.000 1.009 307 T CA -0.737 61.346 62.100 -0.028 0.000 0.989 307 T CB 1.054 69.930 68.868 0.013 0.000 1.004 307 T HN 0.860 nan 8.240 nan 0.000 0.455 308 N N 2.212 120.850 118.700 -0.104 0.000 2.454 308 N HA 0.037 4.772 4.740 -0.008 0.000 0.260 308 N C 0.883 176.259 175.510 -0.222 0.000 1.218 308 N CA -0.395 52.561 53.050 -0.156 0.000 0.904 308 N CB 1.359 39.782 38.487 -0.107 0.000 1.065 308 N HN 0.585 nan 8.380 nan 0.000 0.462 309 K N 1.082 121.371 120.400 -0.185 0.000 2.097 309 K HA -0.104 4.212 4.320 -0.008 0.000 0.205 309 K C 0.555 177.037 176.600 -0.196 0.000 1.050 309 K CA 1.308 57.492 56.287 -0.171 0.000 0.938 309 K CB 0.095 32.508 32.500 -0.146 0.000 0.718 309 K HN 0.859 nan 8.250 nan 0.000 0.442 310 T N -5.081 109.387 114.554 -0.142 0.000 2.841 310 T HA 0.215 4.561 4.350 -0.008 0.000 0.296 310 T C -0.082 174.477 174.700 -0.235 0.000 1.166 310 T CA -0.943 61.030 62.100 -0.213 0.000 1.007 310 T CB 0.307 69.188 68.868 0.023 0.000 1.253 310 T HN 0.284 nan 8.240 nan 0.000 0.511 311 W N 0.252 121.567 121.300 0.025 0.000 2.699 311 W HA 0.118 4.772 4.660 -0.010 0.000 0.249 311 W C 1.234 177.755 176.519 0.003 0.000 1.280 311 W CA -0.073 57.252 57.345 -0.034 0.000 1.345 311 W CB -0.164 29.193 29.460 -0.171 0.000 1.128 311 W HN 0.710 nan 8.180 nan 0.000 0.642 312 D N -1.137 119.335 120.400 0.119 0.000 2.218 312 D HA -0.154 4.482 4.640 -0.008 0.000 0.204 312 D C 1.368 177.567 176.300 -0.168 0.000 0.976 312 D CA 1.319 55.284 54.000 -0.058 0.000 0.853 312 D CB -0.368 40.314 40.800 -0.196 0.000 0.939 312 D HN 0.352 nan 8.370 nan 0.000 0.481 313 H N -1.050 118.148 119.070 0.213 0.000 2.487 313 H HA 0.066 4.618 4.556 -0.006 0.000 0.290 313 H C 1.069 176.480 175.328 0.138 0.000 1.081 313 H CA -0.371 55.787 56.048 0.183 0.000 1.116 313 H CB -0.096 29.691 29.762 0.042 0.000 1.560 313 H HN 0.060 nan 8.280 nan 0.000 0.548 314 F N 2.304 122.348 119.950 0.156 0.000 2.250 314 F HA -0.238 4.284 4.527 -0.008 0.000 0.301 314 F C 2.332 178.188 175.800 0.092 0.000 1.077 314 F CA 0.983 59.075 58.000 0.154 0.000 1.348 314 F CB -0.300 38.841 39.000 0.235 0.000 1.040 314 F HN 0.376 nan 8.300 nan 0.000 0.509 315 W N 0.735 122.035 121.300 -0.000 0.000 2.364 315 W HA -0.217 4.438 4.660 -0.008 0.000 0.281 315 W C 1.491 177.953 176.519 -0.096 0.000 1.219 315 W CA 1.066 58.331 57.345 -0.134 0.000 1.220 315 W CB -1.469 27.952 29.460 -0.065 0.000 1.127 315 W HN 0.129 nan 8.180 nan 0.000 0.556 316 L N 1.481 122.114 121.223 -0.983 0.000 2.012 316 L HA -0.284 4.051 4.340 -0.008 0.000 0.210 316 L C 2.578 179.308 176.870 -0.234 0.000 1.073 316 L CA 2.010 56.322 54.840 -0.881 0.000 0.748 316 L CB -1.181 40.480 42.059 -0.663 0.000 0.891 316 L HN -0.027 nan 8.230 nan 0.000 0.431 317 N N -0.406 118.195 118.700 -0.165 0.000 2.058 317 N HA -0.171 4.564 4.740 -0.008 0.000 0.191 317 N C 1.849 177.365 175.510 0.011 0.000 1.037 317 N CA 1.251 54.306 53.050 0.008 0.000 0.848 317 N CB -0.118 38.408 38.487 0.064 0.000 1.021 317 N HN 0.264 nan 8.380 nan 0.000 0.422 318 E N -0.372 119.668 120.200 -0.267 0.000 2.086 318 E HA 0.068 4.414 4.350 -0.008 0.000 0.190 318 E C 2.091 178.650 176.600 -0.068 0.000 0.975 318 E CA 0.779 56.993 56.400 -0.311 0.000 0.813 318 E CB -0.750 28.318 29.700 -1.053 0.000 0.768 318 E HN 0.391 nan 8.360 nan 0.000 0.457 319 G N 0.879 109.685 108.800 0.009 0.000 2.446 319 G HA2 -0.280 3.675 3.960 -0.008 0.000 0.217 319 G HA3 -0.280 3.675 3.960 -0.008 0.000 0.217 319 G C 1.284 176.269 174.900 0.142 0.000 1.168 319 G CA 1.163 46.360 45.100 0.161 0.000 0.771 319 G HN 0.323 nan 8.290 nan 0.000 0.551 320 H N -0.255 118.875 119.070 0.101 0.000 2.389 320 H HA 0.027 4.578 4.556 -0.008 0.000 0.299 320 H C 2.902 178.351 175.328 0.201 0.000 1.081 320 H CA 1.725 57.877 56.048 0.173 0.000 1.345 320 H CB -0.069 29.758 29.762 0.108 0.000 1.393 320 H HN 0.287 nan 8.280 nan 0.000 0.520 321 T N -0.303 114.329 114.554 0.131 0.000 2.812 321 T HA -0.098 4.248 4.350 -0.008 0.000 0.264 321 T C 2.261 176.937 174.700 -0.040 0.000 1.042 321 T CA 1.106 63.123 62.100 -0.138 0.000 1.140 321 T CB -0.288 68.129 68.868 -0.752 0.000 0.870 321 T HN 0.088 nan 8.240 nan 0.000 0.445 322 V N 0.582 120.582 119.914 0.143 0.000 2.407 322 V HA -0.170 3.945 4.120 -0.008 0.000 0.248 322 V C 1.988 178.260 176.094 0.298 0.000 1.055 322 V CA 1.501 63.949 62.300 0.246 0.000 1.049 322 V CB -0.736 31.273 31.823 0.310 0.000 0.662 322 V HN 0.483 nan 8.190 nan 0.000 0.455 323 Y N 0.448 120.978 120.300 0.384 0.000 2.097 323 Y HA -0.251 4.295 4.550 -0.008 0.000 0.282 323 Y C 2.273 178.382 175.900 0.347 0.000 1.152 323 Y CA 1.828 60.200 58.100 0.455 0.000 1.136 323 Y CB -0.238 38.438 38.460 0.360 0.000 0.975 323 Y HN 0.115 nan 8.280 nan 0.000 0.498 324 L N 0.065 121.497 121.223 0.349 0.000 2.046 324 L HA -0.225 4.110 4.340 -0.008 0.000 0.208 324 L C 2.578 179.516 176.870 0.113 0.000 1.077 324 L CA 1.857 56.827 54.840 0.218 0.000 0.747 324 L CB -0.742 41.423 42.059 0.177 0.000 0.896 324 L HN 0.354 nan 8.230 nan 0.000 0.432 325 E N 0.764 121.012 120.200 0.080 0.000 2.065 325 E HA -0.304 4.042 4.350 -0.008 0.000 0.201 325 E C 2.262 178.885 176.600 0.038 0.000 1.016 325 E CA 1.741 58.184 56.400 0.072 0.000 0.818 325 E CB -0.014 29.751 29.700 0.108 0.000 0.749 325 E HN 0.412 nan 8.360 nan 0.000 0.453 326 R N -0.966 119.506 120.500 -0.046 0.000 2.189 326 R HA -0.043 4.292 4.340 -0.008 0.000 0.218 326 R C 2.486 178.703 176.300 -0.138 0.000 1.074 326 R CA 0.895 56.904 56.100 -0.151 0.000 0.991 326 R CB -0.182 29.926 30.300 -0.319 0.000 0.883 326 R HN 0.367 nan 8.270 nan 0.000 0.457 327 H N 0.483 119.500 119.070 -0.088 0.000 2.395 327 H HA -0.013 4.539 4.556 -0.008 0.000 0.299 327 H C 2.111 177.436 175.328 -0.006 0.000 1.070 327 H CA 1.204 57.218 56.048 -0.057 0.000 1.356 327 H CB 0.102 29.809 29.762 -0.092 0.000 1.401 327 H HN 0.163 nan 8.280 nan 0.000 0.524 328 I N -0.177 120.466 120.570 0.122 0.000 2.179 328 I HA -0.285 3.881 4.170 -0.008 0.000 0.242 328 I C 2.500 178.669 176.117 0.087 0.000 1.088 328 I CA 0.941 62.285 61.300 0.075 0.000 1.357 328 I CB -0.196 37.840 38.000 0.060 0.000 1.051 328 I HN 0.204 nan 8.210 nan 0.000 0.409 329 C N 0.753 120.141 119.300 0.147 0.000 2.446 329 C HA -0.002 4.454 4.460 -0.008 0.000 0.279 329 C C 2.886 178.073 174.990 0.329 0.000 1.366 329 C CA 0.752 59.950 59.018 0.300 0.000 1.763 329 C CB -1.623 26.343 27.740 0.377 0.000 1.929 329 C HN 0.664 nan 8.230 nan 0.000 0.509 330 G N 0.340 109.263 108.800 0.205 0.000 2.408 330 G HA2 -0.135 3.821 3.960 -0.008 0.000 0.217 330 G HA3 -0.135 3.821 3.960 -0.008 0.000 0.217 330 G C 1.851 176.837 174.900 0.144 0.000 1.150 330 G CA 0.234 45.460 45.100 0.210 0.000 0.776 330 G HN 0.455 nan 8.290 nan 0.000 0.542 331 R N -0.052 120.502 120.500 0.089 0.000 2.075 331 R HA 0.102 4.437 4.340 -0.008 0.000 0.232 331 R C 2.581 178.831 176.300 -0.084 0.000 1.126 331 R CA 0.602 56.715 56.100 0.023 0.000 0.963 331 R CB -0.662 29.644 30.300 0.011 0.000 0.858 331 R HN 0.373 nan 8.270 nan 0.000 0.435 332 L N -0.830 120.266 121.223 -0.212 0.000 2.109 332 L HA -0.062 4.274 4.340 -0.008 0.000 0.207 332 L C 1.283 177.719 176.870 -0.724 0.000 1.086 332 L CA 1.182 55.668 54.840 -0.590 0.000 0.760 332 L CB -0.078 41.362 42.059 -1.032 0.000 0.910 332 L HN 0.071 nan 8.230 nan 0.000 0.437 333 F N -0.983 118.996 119.950 0.049 0.000 2.746 333 F HA 0.477 4.999 4.527 -0.008 0.000 0.320 333 F C 0.965 176.783 175.800 0.030 0.000 1.097 333 F CA -0.036 57.938 58.000 -0.043 0.000 1.195 333 F CB 0.479 39.319 39.000 -0.267 0.000 1.056 333 F HN -0.014 nan 8.300 nan 0.000 0.562 334 G N 0.844 109.776 108.800 0.219 0.000 2.539 334 G HA2 -0.131 3.824 3.960 -0.008 0.000 0.686 334 G HA3 -0.131 3.824 3.960 -0.008 0.000 0.686 334 G C 0.089 175.129 174.900 0.233 0.000 1.258 334 G CA -0.302 44.908 45.100 0.184 0.000 0.846 334 G HN 0.067 nan 8.290 nan 0.000 0.647 335 E N 0.237 120.547 120.200 0.183 0.000 2.110 335 E HA -0.039 4.306 4.350 -0.008 0.000 0.193 335 E C 2.295 179.031 176.600 0.227 0.000 0.988 335 E CA 2.117 58.642 56.400 0.208 0.000 0.804 335 E CB -0.111 29.685 29.700 0.161 0.000 0.745 335 E HN 0.591 nan 8.360 nan 0.000 0.458 336 K N -0.685 119.817 120.400 0.170 0.000 2.103 336 K HA -0.151 4.164 4.320 -0.008 0.000 0.207 336 K C 1.949 178.728 176.600 0.299 0.000 1.048 336 K CA 1.301 57.694 56.287 0.176 0.000 0.930 336 K CB -0.328 32.248 32.500 0.127 0.000 0.716 336 K HN 0.167 nan 8.250 nan 0.000 0.444 337 F N 2.032 122.062 119.950 0.133 0.000 2.186 337 F HA -0.098 4.425 4.527 -0.007 0.000 0.299 337 F C 2.407 178.319 175.800 0.187 0.000 1.090 337 F CA 1.179 59.253 58.000 0.124 0.000 1.307 337 F CB -0.137 38.903 39.000 0.068 0.000 1.019 337 F HN -0.140 nan 8.300 nan 0.000 0.489 338 R N -0.761 119.830 120.500 0.150 0.000 2.091 338 R HA -0.188 4.148 4.340 -0.008 0.000 0.238 338 R C 2.398 178.689 176.300 -0.015 0.000 1.136 338 R CA 1.920 58.012 56.100 -0.014 0.000 0.959 338 R CB -0.644 29.677 30.300 0.035 0.000 0.856 338 R HN 0.422 nan 8.270 nan 0.000 0.437 339 H N -1.168 117.933 119.070 0.052 0.000 2.423 339 H HA -0.150 4.402 4.556 -0.007 0.000 0.297 339 H C 1.903 177.296 175.328 0.108 0.000 1.075 339 H CA 1.471 57.594 56.048 0.124 0.000 1.342 339 H CB -0.114 29.786 29.762 0.229 0.000 1.395 339 H HN 0.247 nan 8.280 nan 0.000 0.530 340 F N 2.249 122.237 119.950 0.064 0.000 2.095 340 F HA -0.235 4.288 4.527 -0.007 0.000 0.298 340 F C 1.858 177.559 175.800 -0.165 0.000 1.104 340 F CA 1.808 59.787 58.000 -0.035 0.000 1.232 340 F CB -0.330 38.660 39.000 -0.017 0.000 0.987 340 F HN 0.050 nan 8.300 nan 0.000 0.475 341 N N -0.035 118.499 118.700 -0.277 0.000 2.216 341 N HA -0.072 4.664 4.740 -0.008 0.000 0.183 341 N C 2.005 177.262 175.510 -0.422 0.000 1.017 341 N CA 0.837 53.634 53.050 -0.422 0.000 0.861 341 N CB -0.338 37.870 38.487 -0.465 0.000 0.986 341 N HN 0.380 nan 8.380 nan 0.000 0.428 342 A N 1.141 123.732 122.820 -0.381 0.000 1.883 342 A HA -0.134 4.181 4.320 -0.008 0.000 0.217 342 A C 2.098 179.607 177.584 -0.124 0.000 1.186 342 A CA 1.123 52.964 52.037 -0.327 0.000 0.624 342 A CB -0.745 18.061 19.000 -0.323 0.000 0.822 342 A HN 0.251 nan 8.150 nan 0.000 0.444 343 L N 0.158 121.238 121.223 -0.239 0.000 2.093 343 L HA 0.020 4.355 4.340 -0.008 0.000 0.208 343 L C 2.393 179.057 176.870 -0.343 0.000 1.085 343 L CA 2.221 56.724 54.840 -0.563 0.000 0.755 343 L CB -1.188 40.566 42.059 -0.507 0.000 0.904 343 L HN 0.308 nan 8.230 nan 0.000 0.435 344 G N -0.945 107.617 108.800 -0.397 0.000 2.442 344 G HA2 -0.252 3.703 3.960 -0.008 0.000 0.219 344 G HA3 -0.252 3.703 3.960 -0.008 0.000 0.219 344 G C 1.527 176.314 174.900 -0.188 0.000 1.141 344 G CA 0.629 45.531 45.100 -0.331 0.000 0.763 344 G HN 0.590 nan 8.290 nan 0.000 0.554 345 G N -0.164 108.527 108.800 -0.180 0.000 2.422 345 G HA2 -0.243 3.712 3.960 -0.008 0.000 0.218 345 G HA3 -0.243 3.712 3.960 -0.008 0.000 0.218 345 G C 1.575 176.484 174.900 0.014 0.000 1.146 345 G CA 0.839 45.875 45.100 -0.106 0.000 0.769 345 G HN 0.432 nan 8.290 nan 0.000 0.547 346 W N 2.067 123.303 121.300 -0.106 0.000 2.342 346 W HA -0.094 4.563 4.660 -0.006 0.000 0.297 346 W C 2.213 178.676 176.519 -0.093 0.000 1.213 346 W CA 1.602 58.910 57.345 -0.061 0.000 1.251 346 W CB -0.554 28.828 29.460 -0.130 0.000 1.136 346 W HN 0.221 nan 8.180 nan 0.000 0.526 347 G N 0.495 109.324 108.800 0.047 0.000 2.440 347 G HA2 -0.380 3.575 3.960 -0.008 0.000 0.218 347 G HA3 -0.380 3.575 3.960 -0.008 0.000 0.218 347 G C 1.278 176.114 174.900 -0.106 0.000 1.154 347 G CA 1.445 46.528 45.100 -0.030 0.000 0.767 347 G HN 0.333 nan 8.290 nan 0.000 0.552 348 E N 0.129 120.265 120.200 -0.107 0.000 2.077 348 E HA -0.108 4.237 4.350 -0.008 0.000 0.193 348 E C 2.300 178.814 176.600 -0.144 0.000 0.989 348 E CA 0.723 57.056 56.400 -0.113 0.000 0.800 348 E CB -0.491 29.148 29.700 -0.100 0.000 0.746 348 E HN 0.285 nan 8.360 nan 0.000 0.452 349 L N 0.758 121.866 121.223 -0.193 0.000 2.046 349 L HA -0.168 4.167 4.340 -0.008 0.000 0.208 349 L C 2.136 178.827 176.870 -0.299 0.000 1.077 349 L CA 1.905 56.592 54.840 -0.255 0.000 0.747 349 L CB -0.665 41.161 42.059 -0.389 0.000 0.896 349 L HN 0.204 nan 8.230 nan 0.000 0.432 350 Q N -0.719 118.865 119.800 -0.361 0.000 2.096 350 Q HA -0.226 4.110 4.340 -0.008 0.000 0.204 350 Q C 1.962 177.863 176.000 -0.165 0.000 0.982 350 Q CA 1.749 57.395 55.803 -0.261 0.000 0.850 350 Q CB -0.296 28.338 28.738 -0.174 0.000 0.901 350 Q HN 0.558 nan 8.270 nan 0.000 0.422 351 N N 0.054 118.665 118.700 -0.148 0.000 2.084 351 N HA -0.140 4.595 4.740 -0.008 0.000 0.190 351 N C 1.774 177.189 175.510 -0.158 0.000 1.030 351 N CA 1.428 54.399 53.050 -0.131 0.000 0.849 351 N CB -0.563 37.855 38.487 -0.115 0.000 1.012 351 N HN 0.081 nan 8.380 nan 0.000 0.423 352 S N 0.048 115.651 115.700 -0.162 0.000 2.368 352 S HA -0.044 4.422 4.470 -0.008 0.000 0.225 352 S C 2.016 176.531 174.600 -0.142 0.000 1.030 352 S CA 0.890 58.972 58.200 -0.196 0.000 0.999 352 S CB -0.322 62.816 63.200 -0.103 0.000 0.844 352 S HN 0.077 nan 8.310 nan 0.000 0.459 353 V N 1.740 121.615 119.914 -0.066 0.000 2.343 353 V HA -0.129 3.986 4.120 -0.008 0.000 0.247 353 V C 2.558 178.636 176.094 -0.026 0.000 1.051 353 V CA 2.114 64.411 62.300 -0.006 0.000 1.036 353 V CB -0.631 31.151 31.823 -0.069 0.000 0.654 353 V HN 0.480 nan 8.190 nan 0.000 0.451 354 K N -0.374 119.980 120.400 -0.076 0.000 2.057 354 K HA -0.176 4.140 4.320 -0.008 0.000 0.207 354 K C 2.220 178.769 176.600 -0.085 0.000 1.049 354 K CA 1.903 58.149 56.287 -0.068 0.000 0.931 354 K CB -0.256 32.198 32.500 -0.077 0.000 0.714 354 K HN 0.504 nan 8.250 nan 0.000 0.440 355 T N 0.415 114.870 114.554 -0.165 0.000 2.708 355 T HA -0.107 4.238 4.350 -0.008 0.000 0.266 355 T C 1.434 176.003 174.700 -0.218 0.000 1.037 355 T CA 1.341 63.298 62.100 -0.239 0.000 1.146 355 T CB -0.247 68.376 68.868 -0.408 0.000 0.865 355 T HN 0.108 nan 8.240 nan 0.000 0.435 356 F N 1.325 121.209 119.950 -0.111 0.000 2.293 356 F HA 0.338 4.862 4.527 -0.005 0.000 0.297 356 F C 1.807 177.559 175.800 -0.081 0.000 1.089 356 F CA 0.433 58.311 58.000 -0.203 0.000 1.377 356 F CB -0.758 38.061 39.000 -0.302 0.000 1.051 356 F HN 0.367 nan 8.300 nan 0.000 0.511 357 G N 0.412 109.299 108.800 0.145 0.000 2.697 357 G HA2 -0.160 3.796 3.960 -0.008 0.000 0.686 357 G HA3 -0.160 3.796 3.960 -0.008 0.000 0.686 357 G C 0.545 175.511 174.900 0.110 0.000 1.179 357 G CA -0.172 44.990 45.100 0.104 0.000 0.765 357 G HN 0.399 nan 8.290 nan 0.000 0.649 358 E N -0.694 119.536 120.200 0.050 0.000 2.418 358 E HA -0.072 4.273 4.350 -0.008 0.000 0.197 358 E C 1.758 178.372 176.600 0.023 0.000 1.026 358 E CA 1.546 57.961 56.400 0.025 0.000 0.862 358 E CB -0.095 29.602 29.700 -0.004 0.000 0.799 358 E HN 0.935 nan 8.360 nan 0.000 0.518 359 T N -2.460 112.112 114.554 0.030 0.000 3.086 359 T HA 0.037 4.382 4.350 -0.008 0.000 0.250 359 T C 0.250 174.949 174.700 -0.001 0.000 1.074 359 T CA -0.398 61.704 62.100 0.003 0.000 0.988 359 T CB -0.449 68.408 68.868 -0.020 0.000 0.988 359 T HN 0.259 nan 8.240 nan 0.000 0.530 360 H N 2.824 121.861 119.070 -0.054 0.000 2.764 360 H HA 0.239 4.795 4.556 -0.000 0.000 0.341 360 H C -1.393 173.841 175.328 -0.157 0.000 1.072 360 H CA -1.615 54.351 56.048 -0.137 0.000 1.444 360 H CB 1.341 31.025 29.762 -0.131 0.000 1.458 360 H HN -0.090 nan 8.280 nan 0.000 0.572 361 P HA -0.184 nan 4.420 nan 0.000 0.222 361 P C 0.665 178.077 177.300 0.187 0.000 1.147 361 P CA 1.022 64.073 63.100 -0.081 0.000 0.790 361 P CB 0.145 31.734 31.700 -0.184 0.000 0.780 362 F N 0.479 120.476 119.950 0.079 0.000 2.802 362 F HA 0.022 4.547 4.527 -0.003 0.000 0.300 362 F C 1.949 177.628 175.800 -0.200 0.000 1.168 362 F CA 0.790 58.659 58.000 -0.219 0.000 1.433 362 F CB -1.906 36.654 39.000 -0.733 0.000 1.115 362 F HN 0.061 nan 8.300 nan 0.000 0.582 363 T N -3.214 111.397 114.554 0.096 0.000 3.107 363 T HA 0.103 4.448 4.350 -0.008 0.000 0.249 363 T C 0.710 175.444 174.700 0.056 0.000 1.096 363 T CA -0.235 61.922 62.100 0.095 0.000 1.012 363 T CB -0.145 68.785 68.868 0.104 0.000 0.977 363 T HN -0.010 nan 8.240 nan 0.000 0.527 364 K N 0.517 120.958 120.400 0.069 0.000 2.258 364 K HA 0.329 4.644 4.320 -0.008 0.000 0.264 364 K C 0.829 177.444 176.600 0.025 0.000 1.007 364 K CA -0.546 55.770 56.287 0.047 0.000 0.941 364 K CB 1.033 33.588 32.500 0.092 0.000 0.966 364 K HN -0.042 nan 8.250 nan 0.000 0.480 365 L N 2.473 123.663 121.223 -0.056 0.000 2.044 365 L HA -0.028 4.307 4.340 -0.008 0.000 0.205 365 L C 0.217 177.044 176.870 -0.070 0.000 1.075 365 L CA 1.465 56.212 54.840 -0.154 0.000 0.747 365 L CB 0.450 42.263 42.059 -0.411 0.000 0.903 365 L HN 0.305 nan 8.230 nan 0.000 0.435 366 V N 1.054 120.950 119.914 -0.030 0.000 2.383 366 V HA 0.312 4.428 4.120 -0.008 0.000 0.275 366 V C -0.020 176.156 176.094 0.136 0.000 1.036 366 V CA -0.638 61.734 62.300 0.120 0.000 0.889 366 V CB 1.223 33.179 31.823 0.222 0.000 0.985 366 V HN -0.078 nan 8.190 nan 0.000 0.459 367 V N 3.481 123.458 119.914 0.106 0.000 2.713 367 V HA 0.409 4.524 4.120 -0.008 0.000 0.307 367 V C -0.202 175.938 176.094 0.076 0.000 1.052 367 V CA -0.584 61.778 62.300 0.104 0.000 0.967 367 V CB 2.155 34.029 31.823 0.085 0.000 1.019 367 V HN 0.910 nan 8.190 nan 0.000 0.459 368 D N 2.732 123.188 120.400 0.093 0.000 2.412 368 D HA 0.298 4.933 4.640 -0.008 0.000 0.224 368 D C 0.301 176.652 176.300 0.085 0.000 1.093 368 D CA -0.143 53.903 54.000 0.077 0.000 0.850 368 D CB 1.078 41.920 40.800 0.071 0.000 1.046 368 D HN 0.411 nan 8.370 nan 0.000 0.507 369 L N 2.910 124.176 121.223 0.072 0.000 2.653 369 L HA 0.126 4.461 4.340 -0.008 0.000 0.232 369 L C 0.626 177.556 176.870 0.099 0.000 1.169 369 L CA -0.063 54.818 54.840 0.068 0.000 0.951 369 L CB -0.266 41.822 42.059 0.048 0.000 1.181 369 L HN 0.278 nan 8.230 nan 0.000 0.460 370 T N 1.094 115.706 114.554 0.096 0.000 2.778 370 T HA -0.069 4.277 4.350 -0.008 0.000 0.282 370 T C 0.471 175.244 174.700 0.121 0.000 0.983 370 T CA 0.228 62.386 62.100 0.098 0.000 1.193 370 T CB 0.009 68.921 68.868 0.072 0.000 0.938 370 T HN 0.323 nan 8.240 nan 0.000 0.523 371 D N 0.522 121.019 120.400 0.161 0.000 3.012 371 D HA -0.142 4.493 4.640 -0.008 0.000 0.222 371 D C -0.273 176.167 176.300 0.233 0.000 1.167 371 D CA 0.760 54.886 54.000 0.211 0.000 0.854 371 D CB -0.757 40.122 40.800 0.131 0.000 1.107 371 D HN 0.395 nan 8.370 nan 0.000 0.421 372 I N 0.888 121.561 120.570 0.172 0.000 2.406 372 I HA 0.186 4.351 4.170 -0.008 0.000 0.290 372 I C 0.599 176.511 176.117 -0.342 0.000 0.999 372 I CA -0.951 60.349 61.300 -0.002 0.000 1.124 372 I CB 1.643 39.668 38.000 0.041 0.000 1.289 372 I HN -0.208 nan 8.210 nan 0.000 0.441 373 D N 8.686 128.610 120.400 -0.794 0.000 2.401 373 D HA 0.106 4.741 4.640 -0.008 0.000 0.254 373 D C -1.690 174.298 176.300 -0.520 0.000 1.192 373 D CA -1.554 51.798 54.000 -1.081 0.000 0.885 373 D CB 1.669 41.900 40.800 -0.948 0.000 1.147 373 D HN 0.198 nan 8.370 nan 0.000 0.478 374 P HA -0.109 nan 4.420 nan 0.000 0.219 374 P C 0.584 177.677 177.300 -0.345 0.000 1.146 374 P CA 0.816 63.676 63.100 -0.400 0.000 0.808 374 P CB 0.320 31.707 31.700 -0.522 0.000 0.779 375 D N -1.340 118.887 120.400 -0.289 0.000 2.264 375 D HA -0.070 4.565 4.640 -0.008 0.000 0.208 375 D C 1.861 178.123 176.300 -0.064 0.000 0.966 375 D CA 0.835 54.742 54.000 -0.155 0.000 0.864 375 D CB -0.319 40.443 40.800 -0.063 0.000 0.933 375 D HN 0.061 nan 8.370 nan 0.000 0.499 376 V N 0.956 120.793 119.914 -0.128 0.000 2.535 376 V HA -0.045 4.070 4.120 -0.008 0.000 0.246 376 V C 2.429 178.453 176.094 -0.116 0.000 1.045 376 V CA 1.373 63.643 62.300 -0.049 0.000 1.058 376 V CB -0.411 31.392 31.823 -0.033 0.000 0.689 376 V HN 0.142 nan 8.190 nan 0.000 0.461 377 A N -1.069 121.477 122.820 -0.456 0.000 2.014 377 A HA -0.116 4.199 4.320 -0.008 0.000 0.218 377 A C 1.217 178.609 177.584 -0.320 0.000 1.163 377 A CA 0.393 51.845 52.037 -0.975 0.000 0.652 377 A CB -0.570 17.794 19.000 -1.060 0.000 0.808 377 A HN 0.529 nan 8.150 nan 0.000 0.449 378 Y N 1.994 122.164 120.300 -0.217 0.000 2.895 378 Y HA 0.245 4.789 4.550 -0.009 0.000 0.334 378 Y C 0.727 176.711 175.900 0.140 0.000 1.261 378 Y CA 0.547 58.630 58.100 -0.028 0.000 1.560 378 Y CB 0.235 38.672 38.460 -0.038 0.000 1.253 378 Y HN 0.436 nan 8.280 nan 0.000 0.582 379 S N 1.213 116.740 115.700 -0.287 0.000 2.655 379 S HA 0.242 4.707 4.470 -0.008 0.000 0.266 379 S C 0.354 174.869 174.600 -0.143 0.000 1.149 379 S CA -0.374 57.744 58.200 -0.137 0.000 0.818 379 S CB 0.483 63.859 63.200 0.293 0.000 1.130 379 S HN 0.914 nan 8.310 nan 0.000 0.476 380 S N 0.131 115.786 115.700 -0.075 0.000 2.555 380 S HA 0.006 4.472 4.470 -0.008 0.000 0.230 380 S C 1.669 176.373 174.600 0.173 0.000 0.978 380 S CA 0.905 59.106 58.200 0.001 0.000 0.934 380 S CB -0.779 62.362 63.200 -0.099 0.000 0.766 380 S HN 0.764 nan 8.310 nan 0.000 0.533 381 V N 3.591 123.605 119.914 0.166 0.000 2.255 381 V HA -0.092 4.023 4.120 -0.008 0.000 0.247 381 V C 0.046 176.239 176.094 0.165 0.000 1.051 381 V CA 2.101 64.490 62.300 0.148 0.000 1.018 381 V CB -1.646 30.271 31.823 0.157 0.000 0.641 381 V HN 0.458 nan 8.190 nan 0.000 0.445 382 P HA -0.179 nan 4.420 nan 0.000 0.216 382 P C 1.279 178.624 177.300 0.076 0.000 1.150 382 P CA 1.763 64.935 63.100 0.121 0.000 0.837 382 P CB -0.135 31.610 31.700 0.075 0.000 0.786 383 Y N 0.832 121.181 120.300 0.081 0.000 2.114 383 Y HA -0.135 4.410 4.550 -0.009 0.000 0.284 383 Y C 2.715 178.717 175.900 0.170 0.000 1.143 383 Y CA 1.459 59.623 58.100 0.108 0.000 1.135 383 Y CB -0.904 37.588 38.460 0.054 0.000 0.980 383 Y HN -0.039 nan 8.280 nan 0.000 0.499 384 E N -0.326 120.053 120.200 0.299 0.000 2.201 384 E HA -0.047 4.299 4.350 -0.008 0.000 0.193 384 E C 1.950 178.698 176.600 0.246 0.000 0.957 384 E CA 0.342 56.893 56.400 0.252 0.000 0.858 384 E CB -0.119 29.648 29.700 0.111 0.000 0.816 384 E HN 0.375 nan 8.360 nan 0.000 0.475 385 K N 0.907 121.400 120.400 0.155 0.000 2.155 385 K HA -0.058 4.257 4.320 -0.008 0.000 0.203 385 K C 2.054 178.763 176.600 0.182 0.000 1.052 385 K CA 1.192 57.566 56.287 0.144 0.000 0.948 385 K CB -0.190 32.330 32.500 0.034 0.000 0.728 385 K HN 0.100 nan 8.250 nan 0.000 0.448 386 G N 0.874 109.775 108.800 0.168 0.000 2.433 386 G HA2 -0.299 3.656 3.960 -0.008 0.000 0.216 386 G HA3 -0.299 3.656 3.960 -0.008 0.000 0.216 386 G C 1.311 176.335 174.900 0.206 0.000 1.186 386 G CA 0.786 46.009 45.100 0.204 0.000 0.779 386 G HN 0.403 nan 8.290 nan 0.000 0.543 387 F N 2.488 122.548 119.950 0.183 0.000 2.069 387 F HA 0.003 4.525 4.527 -0.008 0.000 0.298 387 F C 2.831 178.776 175.800 0.241 0.000 1.113 387 F CA 1.663 59.787 58.000 0.207 0.000 1.214 387 F CB -0.397 38.718 39.000 0.192 0.000 0.978 387 F HN 0.235 nan 8.300 nan 0.000 0.474 388 A N 0.513 123.524 122.820 0.318 0.000 1.908 388 A HA -0.209 4.106 4.320 -0.008 0.000 0.218 388 A C 2.131 179.782 177.584 0.111 0.000 1.181 388 A CA 1.881 54.154 52.037 0.393 0.000 0.627 388 A CB -1.365 18.059 19.000 0.708 0.000 0.818 388 A HN 0.556 nan 8.150 nan 0.000 0.445 389 L N -0.162 121.009 121.223 -0.087 0.000 2.017 389 L HA -0.129 4.206 4.340 -0.008 0.000 0.208 389 L C 2.290 178.907 176.870 -0.422 0.000 1.073 389 L CA 1.869 56.328 54.840 -0.635 0.000 0.745 389 L CB -0.544 41.175 42.059 -0.567 0.000 0.894 389 L HN 0.413 nan 8.230 nan 0.000 0.432 390 L N -1.873 119.160 121.223 -0.317 0.000 2.093 390 L HA -0.198 4.137 4.340 -0.008 0.000 0.208 390 L C 2.459 178.953 176.870 -0.626 0.000 1.085 390 L CA 1.096 55.655 54.840 -0.468 0.000 0.755 390 L CB -0.744 41.053 42.059 -0.436 0.000 0.904 390 L HN 0.266 nan 8.230 nan 0.000 0.435 391 F N 0.082 119.641 119.950 -0.650 0.000 2.102 391 F HA -0.282 4.240 4.527 -0.008 0.000 0.298 391 F C 2.608 178.164 175.800 -0.406 0.000 1.105 391 F CA 1.280 58.969 58.000 -0.519 0.000 1.239 391 F CB -0.632 37.987 39.000 -0.635 0.000 0.991 391 F HN 0.031 nan 8.300 nan 0.000 0.474 392 Y N 0.674 120.685 120.300 -0.480 0.000 2.114 392 Y HA -0.261 4.285 4.550 -0.007 0.000 0.282 392 Y C 2.116 177.669 175.900 -0.578 0.000 1.165 392 Y CA 2.057 59.854 58.100 -0.506 0.000 1.148 392 Y CB -0.892 37.302 38.460 -0.443 0.000 0.972 392 Y HN 0.112 nan 8.280 nan 0.000 0.504 393 L N 0.224 120.960 121.223 -0.810 0.000 2.046 393 L HA -0.204 4.132 4.340 -0.008 0.000 0.208 393 L C 2.621 178.932 176.870 -0.931 0.000 1.077 393 L CA 1.861 56.153 54.840 -0.912 0.000 0.747 393 L CB -0.740 40.894 42.059 -0.708 0.000 0.896 393 L HN 0.324 nan 8.230 nan 0.000 0.432 394 E N 0.255 119.802 120.200 -1.088 0.000 2.070 394 E HA -0.307 4.039 4.350 -0.008 0.000 0.197 394 E C 2.134 178.487 176.600 -0.412 0.000 1.004 394 E CA 1.681 57.685 56.400 -0.660 0.000 0.805 394 E CB -0.012 29.467 29.700 -0.367 0.000 0.744 394 E HN 0.560 nan 8.360 nan 0.000 0.451 395 Q N 0.114 119.599 119.800 -0.525 0.000 2.079 395 Q HA -0.110 4.225 4.340 -0.008 0.000 0.200 395 Q C 2.515 178.285 176.000 -0.384 0.000 0.974 395 Q CA 1.197 56.743 55.803 -0.429 0.000 0.840 395 Q CB -0.042 28.398 28.738 -0.497 0.000 0.898 395 Q HN 0.384 nan 8.270 nan 0.000 0.430 396 L N 0.175 121.085 121.223 -0.522 0.000 2.083 396 L HA -0.166 4.169 4.340 -0.008 0.000 0.209 396 L C 1.837 178.477 176.870 -0.383 0.000 1.083 396 L CA 0.979 55.526 54.840 -0.488 0.000 0.752 396 L CB -0.072 41.565 42.059 -0.704 0.000 0.899 396 L HN 0.264 nan 8.230 nan 0.000 0.433 397 L N -1.435 119.543 121.223 -0.409 0.000 2.640 397 L HA 0.242 4.577 4.340 -0.008 0.000 0.230 397 L C 1.148 177.916 176.870 -0.170 0.000 1.123 397 L CA 0.544 55.159 54.840 -0.375 0.000 0.900 397 L CB 0.369 42.027 42.059 -0.669 0.000 1.146 397 L HN 0.398 nan 8.230 nan 0.000 0.484 398 G N -0.994 107.732 108.800 -0.123 0.000 2.273 398 G HA2 0.117 4.072 3.960 -0.008 0.000 0.162 398 G HA3 0.117 4.072 3.960 -0.008 0.000 0.162 398 G C 0.440 175.349 174.900 0.015 0.000 1.006 398 G CA -0.341 44.739 45.100 -0.033 0.000 0.704 398 G HN 0.689 nan 8.290 nan 0.000 0.487 399 G N -0.611 108.196 108.800 0.010 0.000 2.525 399 G HA2 0.368 4.323 3.960 -0.008 0.000 0.685 399 G HA3 0.368 4.323 3.960 -0.008 0.000 0.685 399 G C -1.179 173.840 174.900 0.197 0.000 1.290 399 G CA 0.252 45.397 45.100 0.074 0.000 0.915 399 G HN 0.542 nan 8.290 nan 0.000 0.548 400 P HA -0.027 nan 4.420 nan 0.000 0.217 400 P C 1.301 178.775 177.300 0.290 0.000 1.150 400 P CA 1.787 65.119 63.100 0.386 0.000 0.832 400 P CB 0.082 32.054 31.700 0.454 0.000 0.787 401 E N -0.225 120.095 120.200 0.201 0.000 2.077 401 E HA -0.110 4.235 4.350 -0.008 0.000 0.193 401 E C 2.235 178.947 176.600 0.187 0.000 0.989 401 E CA 0.825 57.315 56.400 0.150 0.000 0.800 401 E CB -0.515 29.252 29.700 0.112 0.000 0.746 401 E HN 0.254 nan 8.360 nan 0.000 0.452 402 I N 0.200 120.908 120.570 0.231 0.000 2.252 402 I HA -0.239 3.926 4.170 -0.008 0.000 0.245 402 I C 2.145 178.509 176.117 0.411 0.000 1.102 402 I CA 0.867 62.346 61.300 0.299 0.000 1.385 402 I CB -0.084 38.090 38.000 0.291 0.000 1.064 402 I HN 0.053 nan 8.210 nan 0.000 0.414 403 F N 0.890 121.015 119.950 0.292 0.000 2.259 403 F HA -0.103 4.419 4.527 -0.008 0.000 0.298 403 F C 2.149 178.149 175.800 0.333 0.000 1.088 403 F CA 1.303 59.512 58.000 0.349 0.000 1.358 403 F CB -0.121 39.032 39.000 0.255 0.000 1.040 403 F HN -0.098 nan 8.300 nan 0.000 0.505 404 L N -0.777 120.625 121.223 0.298 0.000 2.191 404 L HA -0.140 4.195 4.340 -0.008 0.000 0.212 404 L C 2.662 179.541 176.870 0.016 0.000 1.103 404 L CA 1.171 56.090 54.840 0.130 0.000 0.769 404 L CB -1.276 40.794 42.059 0.018 0.000 0.908 404 L HN 0.269 nan 8.230 nan 0.000 0.438 405 G N -0.303 108.530 108.800 0.056 0.000 2.408 405 G HA2 -0.328 3.627 3.960 -0.008 0.000 0.217 405 G HA3 -0.328 3.627 3.960 -0.008 0.000 0.217 405 G C 1.446 176.220 174.900 -0.211 0.000 1.150 405 G CA 0.503 45.619 45.100 0.026 0.000 0.776 405 G HN 0.339 nan 8.290 nan 0.000 0.542 406 F N 1.022 120.607 119.950 -0.609 0.000 2.095 406 F HA -0.034 4.488 4.527 -0.008 0.000 0.298 406 F C 2.280 177.754 175.800 -0.543 0.000 1.104 406 F CA 0.950 58.243 58.000 -1.178 0.000 1.232 406 F CB -0.248 38.078 39.000 -1.123 0.000 0.987 406 F HN 0.007 nan 8.300 nan 0.000 0.475 407 L N 0.999 121.885 121.223 -0.563 0.000 2.042 407 L HA -0.255 4.080 4.340 -0.008 0.000 0.210 407 L C 2.494 179.234 176.870 -0.216 0.000 1.076 407 L CA 2.195 56.829 54.840 -0.343 0.000 0.749 407 L CB -1.328 40.740 42.059 0.015 0.000 0.893 407 L HN 0.321 nan 8.230 nan 0.000 0.432 408 K N -0.659 119.628 120.400 -0.188 0.000 2.057 408 K HA -0.119 4.197 4.320 -0.008 0.000 0.206 408 K C 2.019 178.533 176.600 -0.143 0.000 1.050 408 K CA 1.200 57.408 56.287 -0.132 0.000 0.935 408 K CB 0.090 32.532 32.500 -0.096 0.000 0.715 408 K HN 0.261 nan 8.250 nan 0.000 0.439 409 A N 0.367 123.080 122.820 -0.178 0.000 1.969 409 A HA -0.184 4.132 4.320 -0.008 0.000 0.218 409 A C 2.007 179.474 177.584 -0.194 0.000 1.169 409 A CA 1.278 53.263 52.037 -0.087 0.000 0.635 409 A CB -0.787 18.265 19.000 0.087 0.000 0.810 409 A HN 0.599 nan 8.150 nan 0.000 0.445 410 Y N 0.649 120.688 120.300 -0.435 0.000 2.145 410 Y HA -0.171 4.375 4.550 -0.008 0.000 0.286 410 Y C 2.229 177.934 175.900 -0.326 0.000 1.145 410 Y CA 1.907 59.706 58.100 -0.501 0.000 1.148 410 Y CB -0.501 37.586 38.460 -0.621 0.000 0.981 410 Y HN 0.046 nan 8.280 nan 0.000 0.507 411 V N 1.095 120.817 119.914 -0.321 0.000 2.287 411 V HA -0.318 3.797 4.120 -0.008 0.000 0.248 411 V C 2.221 178.144 176.094 -0.284 0.000 1.053 411 V CA 2.398 64.522 62.300 -0.293 0.000 1.027 411 V CB -0.669 31.127 31.823 -0.044 0.000 0.646 411 V HN 0.466 nan 8.190 nan 0.000 0.447 412 E N 0.026 120.080 120.200 -0.244 0.000 2.077 412 E HA -0.297 4.048 4.350 -0.008 0.000 0.193 412 E C 2.218 178.614 176.600 -0.340 0.000 0.989 412 E CA 1.541 57.809 56.400 -0.220 0.000 0.800 412 E CB -0.184 29.428 29.700 -0.146 0.000 0.746 412 E HN 0.463 nan 8.360 nan 0.000 0.452 413 K N 0.518 120.574 120.400 -0.573 0.000 2.057 413 K HA -0.119 4.197 4.320 -0.008 0.000 0.207 413 K C 0.978 177.081 176.600 -0.827 0.000 1.049 413 K CA 1.281 57.046 56.287 -0.870 0.000 0.931 413 K CB -0.057 31.469 32.500 -1.622 0.000 0.714 413 K HN 0.017 nan 8.250 nan 0.000 0.440 414 F N 0.826 120.487 119.950 -0.481 0.000 2.647 414 F HA 0.381 4.904 4.527 -0.007 0.000 0.300 414 F C 0.084 175.681 175.800 -0.338 0.000 1.106 414 F CA -0.547 57.214 58.000 -0.398 0.000 1.313 414 F CB 0.016 38.710 39.000 -0.510 0.000 1.007 414 F HN -0.249 nan 8.300 nan 0.000 0.536 415 S N 0.031 115.601 115.700 -0.216 0.000 2.552 415 S HA 0.013 4.479 4.470 -0.008 0.000 0.289 415 S C -0.006 174.444 174.600 -0.250 0.000 1.304 415 S CA 0.238 58.209 58.200 -0.381 0.000 1.063 415 S CB -0.292 62.574 63.200 -0.557 0.000 0.848 415 S HN 0.516 nan 8.310 nan 0.000 0.499 416 Y N -0.810 119.451 120.300 -0.065 0.000 4.729 416 Y HA -0.257 4.289 4.550 -0.008 0.000 0.239 416 Y C 0.408 176.286 175.900 -0.037 0.000 1.043 416 Y CA 0.596 58.660 58.100 -0.060 0.000 2.045 416 Y CB -1.933 36.475 38.460 -0.087 0.000 1.599 416 Y HN 0.481 nan 8.280 nan 0.000 0.655 417 K N -0.109 120.311 120.400 0.035 0.000 2.395 417 K HA 0.808 5.123 4.320 -0.008 0.000 0.245 417 K C -0.403 176.175 176.600 -0.038 0.000 1.017 417 K CA -0.956 55.345 56.287 0.024 0.000 0.852 417 K CB 2.152 34.693 32.500 0.068 0.000 1.311 417 K HN -0.100 nan 8.250 nan 0.000 0.452 418 S N 1.441 117.106 115.700 -0.060 0.000 2.519 418 S HA 0.579 5.044 4.470 -0.008 0.000 0.309 418 S C -0.534 173.969 174.600 -0.162 0.000 1.100 418 S CA -0.843 57.292 58.200 -0.108 0.000 1.059 418 S CB 0.511 63.660 63.200 -0.086 0.000 1.008 418 S HN 0.567 nan 8.310 nan 0.000 0.478 419 I N -0.144 120.284 120.570 -0.236 0.000 3.074 419 I HA 0.826 4.992 4.170 -0.008 0.000 0.310 419 I C -0.124 175.805 176.117 -0.314 0.000 1.153 419 I CA -0.890 60.220 61.300 -0.318 0.000 0.993 419 I CB 2.246 39.904 38.000 -0.570 0.000 1.237 419 I HN 0.563 nan 8.210 nan 0.000 0.443 420 T N -1.069 113.287 114.554 -0.331 0.000 2.937 420 T HA 0.348 4.694 4.350 -0.008 0.000 0.283 420 T C 0.884 175.455 174.700 -0.216 0.000 1.012 420 T CA -0.117 61.665 62.100 -0.530 0.000 0.997 420 T CB 1.412 69.979 68.868 -0.501 0.000 1.136 420 T HN 0.695 nan 8.240 nan 0.000 0.551 421 T N 0.894 115.404 114.554 -0.074 0.000 2.699 421 T HA -0.124 4.221 4.350 -0.008 0.000 0.268 421 T C 1.407 176.343 174.700 0.395 0.000 1.036 421 T CA 1.693 64.034 62.100 0.402 0.000 1.147 421 T CB -0.560 68.740 68.868 0.720 0.000 0.862 421 T HN 0.646 nan 8.240 nan 0.000 0.446 422 D N 0.904 121.443 120.400 0.232 0.000 2.178 422 D HA -0.068 4.568 4.640 -0.008 0.000 0.202 422 D C 1.945 178.338 176.300 0.155 0.000 0.974 422 D CA 0.737 54.847 54.000 0.184 0.000 0.841 422 D CB -0.287 40.590 40.800 0.128 0.000 0.953 422 D HN 0.357 nan 8.370 nan 0.000 0.478 423 D N -0.202 120.258 120.400 0.101 0.000 2.117 423 D HA -0.157 4.479 4.640 -0.008 0.000 0.197 423 D C 1.889 178.337 176.300 0.246 0.000 0.987 423 D CA 0.575 54.633 54.000 0.097 0.000 0.829 423 D CB -0.404 40.305 40.800 -0.151 0.000 0.961 423 D HN 0.349 nan 8.370 nan 0.000 0.460 424 W N 2.408 123.761 121.300 0.088 0.000 2.355 424 W HA -0.174 4.481 4.660 -0.008 0.000 0.309 424 W C 2.362 179.091 176.519 0.350 0.000 1.206 424 W CA 1.708 59.217 57.345 0.274 0.000 1.284 424 W CB -0.130 29.441 29.460 0.184 0.000 1.145 424 W HN -0.161 nan 8.180 nan 0.000 0.502 425 K N 0.056 120.599 120.400 0.239 0.000 2.057 425 K HA -0.203 4.113 4.320 -0.008 0.000 0.206 425 K C 1.647 178.190 176.600 -0.095 0.000 1.050 425 K CA 2.010 58.201 56.287 -0.159 0.000 0.935 425 K CB -0.436 32.032 32.500 -0.054 0.000 0.715 425 K HN 0.017 nan 8.250 nan 0.000 0.439 426 D N 0.189 120.615 120.400 0.044 0.000 2.097 426 D HA -0.174 4.461 4.640 -0.008 0.000 0.195 426 D C 1.606 178.014 176.300 0.179 0.000 0.989 426 D CA 0.953 55.003 54.000 0.084 0.000 0.827 426 D CB -0.309 40.566 40.800 0.125 0.000 0.966 426 D HN 0.184 nan 8.370 nan 0.000 0.456 427 F N 1.056 121.105 119.950 0.165 0.000 2.134 427 F HA -0.110 4.412 4.527 -0.008 0.000 0.299 427 F C 2.121 178.033 175.800 0.188 0.000 1.097 427 F CA 0.633 58.769 58.000 0.227 0.000 1.264 427 F CB -0.420 38.835 39.000 0.426 0.000 1.001 427 F HN -0.097 nan 8.300 nan 0.000 0.479 428 L N -0.503 120.658 121.223 -0.103 0.000 2.013 428 L HA -0.279 4.056 4.340 -0.008 0.000 0.212 428 L C 2.124 178.878 176.870 -0.194 0.000 1.073 428 L CA 1.969 56.584 54.840 -0.376 0.000 0.753 428 L CB -1.151 40.458 42.059 -0.750 0.000 0.890 428 L HN 0.189 nan 8.230 nan 0.000 0.432 429 Y N -1.008 119.171 120.300 -0.202 0.000 2.224 429 Y HA -0.244 4.301 4.550 -0.008 0.000 0.289 429 Y C 3.026 178.862 175.900 -0.107 0.000 1.146 429 Y CA 1.843 59.879 58.100 -0.106 0.000 1.182 429 Y CB -0.625 37.770 38.460 -0.109 0.000 0.983 429 Y HN 0.362 nan 8.280 nan 0.000 0.524 430 S N -0.958 114.726 115.700 -0.028 0.000 2.345 430 S HA -0.280 4.186 4.470 -0.008 0.000 0.220 430 S C 2.031 176.489 174.600 -0.238 0.000 1.031 430 S CA 1.336 59.470 58.200 -0.111 0.000 0.996 430 S CB -0.824 62.319 63.200 -0.095 0.000 0.882 430 S HN 0.542 nan 8.310 nan 0.000 0.445 431 Y N 0.712 120.657 120.300 -0.593 0.000 2.128 431 Y HA -0.071 4.474 4.550 -0.008 0.000 0.284 431 Y C 1.030 176.575 175.900 -0.591 0.000 1.154 431 Y CA 1.845 59.544 58.100 -0.669 0.000 1.149 431 Y CB -0.279 37.666 38.460 -0.859 0.000 0.976 431 Y HN 0.346 nan 8.280 nan 0.000 0.505 432 F N 1.732 121.589 119.950 -0.154 0.000 2.798 432 F HA 0.171 4.693 4.527 -0.008 0.000 0.291 432 F C 1.693 177.373 175.800 -0.200 0.000 1.174 432 F CA -0.422 57.466 58.000 -0.187 0.000 1.392 432 F CB -0.478 38.391 39.000 -0.218 0.000 0.966 432 F HN 0.084 nan 8.300 nan 0.000 0.509 433 K N -0.993 119.366 120.400 -0.068 0.000 2.218 433 K HA -0.209 4.106 4.320 -0.008 0.000 0.205 433 K C 0.410 176.997 176.600 -0.022 0.000 1.046 433 K CA 1.927 58.194 56.287 -0.034 0.000 0.933 433 K CB -0.198 32.272 32.500 -0.049 0.000 0.728 433 K HN 0.124 nan 8.250 nan 0.000 0.454 434 D N 0.953 121.336 120.400 -0.029 0.000 2.340 434 D HA 0.049 4.684 4.640 -0.008 0.000 0.220 434 D C 0.359 176.651 176.300 -0.013 0.000 1.039 434 D CA 0.630 54.617 54.000 -0.021 0.000 0.866 434 D CB 0.416 41.197 40.800 -0.032 0.000 0.913 434 D HN 0.307 nan 8.370 nan 0.000 0.523 435 K N -0.083 120.312 120.400 -0.009 0.000 2.618 435 K HA 0.178 4.494 4.320 -0.008 0.000 0.207 435 K C 1.129 177.668 176.600 -0.101 0.000 1.058 435 K CA -0.060 56.193 56.287 -0.057 0.000 1.086 435 K CB 1.443 33.890 32.500 -0.088 0.000 0.827 435 K HN -0.134 nan 8.250 nan 0.000 0.481 436 V N 1.437 121.313 119.914 -0.064 0.000 2.515 436 V HA -0.234 3.881 4.120 -0.008 0.000 0.250 436 V C 1.484 177.568 176.094 -0.017 0.000 1.058 436 V CA 1.826 64.084 62.300 -0.070 0.000 1.064 436 V CB -0.202 31.657 31.823 0.060 0.000 0.675 436 V HN 0.372 nan 8.190 nan 0.000 0.461 437 D N -0.039 120.356 120.400 -0.009 0.000 2.144 437 D HA -0.128 4.507 4.640 -0.008 0.000 0.199 437 D C 2.164 178.448 176.300 -0.026 0.000 0.984 437 D CA 1.189 55.192 54.000 0.004 0.000 0.834 437 D CB -0.152 40.647 40.800 -0.001 0.000 0.955 437 D HN 0.346 nan 8.370 nan 0.000 0.465 438 V N 1.222 121.086 119.914 -0.082 0.000 2.307 438 V HA -0.204 3.912 4.120 -0.008 0.000 0.245 438 V C 2.673 178.681 176.094 -0.144 0.000 1.045 438 V CA 1.052 63.272 62.300 -0.132 0.000 1.024 438 V CB -0.459 31.246 31.823 -0.196 0.000 0.651 438 V HN 0.193 nan 8.190 nan 0.000 0.449 439 L N 0.321 121.444 121.223 -0.167 0.000 2.127 439 L HA -0.174 4.162 4.340 -0.008 0.000 0.211 439 L C 2.210 179.185 176.870 0.175 0.000 1.089 439 L CA 1.334 56.100 54.840 -0.123 0.000 0.757 439 L CB -0.697 41.073 42.059 -0.481 0.000 0.899 439 L HN 0.391 nan 8.230 nan 0.000 0.434 440 N N 0.348 119.154 118.700 0.177 0.000 2.550 440 N HA -0.160 4.575 4.740 -0.008 0.000 0.186 440 N C 1.769 177.372 175.510 0.155 0.000 1.110 440 N CA 0.726 53.943 53.050 0.278 0.000 0.912 440 N CB -0.035 38.581 38.487 0.216 0.000 0.968 440 N HN 0.594 nan 8.380 nan 0.000 0.448 441 Q N -0.513 119.317 119.800 0.050 0.000 2.378 441 Q HA 0.054 4.390 4.340 -0.008 0.000 0.205 441 Q C 0.152 176.144 176.000 -0.013 0.000 0.954 441 Q CA 0.452 56.265 55.803 0.017 0.000 0.901 441 Q CB 0.077 28.804 28.738 -0.018 0.000 0.981 441 Q HN -0.100 nan 8.270 nan 0.000 0.483 442 V N 2.824 122.659 119.914 -0.132 0.000 2.655 442 V HA -0.029 4.086 4.120 -0.008 0.000 0.300 442 V C 0.171 176.085 176.094 -0.299 0.000 1.044 442 V CA -0.097 61.982 62.300 -0.368 0.000 1.095 442 V CB 1.034 32.202 31.823 -1.091 0.000 0.952 442 V HN 0.294 nan 8.190 nan 0.000 0.485 443 D N 3.809 124.179 120.400 -0.049 0.000 2.508 443 D HA 0.072 4.707 4.640 -0.008 0.000 0.224 443 D C 0.665 177.059 176.300 0.158 0.000 1.171 443 D CA -0.132 53.911 54.000 0.072 0.000 1.006 443 D CB 0.081 40.925 40.800 0.072 0.000 1.073 443 D HN 0.572 nan 8.370 nan 0.000 0.513 444 W N 2.215 123.671 121.300 0.260 0.000 2.363 444 W HA -0.119 4.536 4.660 -0.009 0.000 0.296 444 W C 2.355 178.994 176.519 0.200 0.000 1.212 444 W CA 0.350 57.841 57.345 0.243 0.000 1.260 444 W CB -0.261 29.332 29.460 0.222 0.000 1.131 444 W HN 0.387 nan 8.180 nan 0.000 0.530 445 N N 0.764 119.720 118.700 0.426 0.000 2.166 445 N HA -0.182 4.553 4.740 -0.008 0.000 0.186 445 N C 1.721 177.380 175.510 0.248 0.000 1.019 445 N CA 1.707 54.988 53.050 0.386 0.000 0.856 445 N CB -0.176 38.495 38.487 0.306 0.000 0.993 445 N HN 0.161 nan 8.380 nan 0.000 0.426 446 A N 0.250 123.160 122.820 0.150 0.000 1.873 446 A HA -0.099 4.216 4.320 -0.008 0.000 0.215 446 A C 1.958 179.515 177.584 -0.044 0.000 1.186 446 A CA 0.905 52.947 52.037 0.007 0.000 0.616 446 A CB -1.228 17.715 19.000 -0.095 0.000 0.823 446 A HN 0.497 nan 8.150 nan 0.000 0.442 447 W N 0.108 121.358 121.300 -0.083 0.000 2.358 447 W HA -0.071 4.585 4.660 -0.007 0.000 0.303 447 W C 2.073 178.452 176.519 -0.234 0.000 1.208 447 W CA 1.330 58.581 57.345 -0.156 0.000 1.274 447 W CB -0.248 29.109 29.460 -0.173 0.000 1.138 447 W HN 0.216 nan 8.180 nan 0.000 0.515 448 L N -2.361 118.837 121.223 -0.041 0.000 2.249 448 L HA -0.067 4.269 4.340 -0.008 0.000 0.207 448 L C 1.139 177.686 176.870 -0.538 0.000 1.090 448 L CA 0.892 55.441 54.840 -0.485 0.000 0.802 448 L CB -0.448 41.060 42.059 -0.917 0.000 0.947 448 L HN 0.017 nan 8.230 nan 0.000 0.453 449 Y N -1.567 118.786 120.300 0.089 0.000 2.563 449 Y HA 0.281 4.827 4.550 -0.007 0.000 0.250 449 Y C 0.918 176.836 175.900 0.030 0.000 1.126 449 Y CA -0.760 57.379 58.100 0.064 0.000 1.231 449 Y CB 0.356 38.869 38.460 0.089 0.000 1.288 449 Y HN -0.136 nan 8.280 nan 0.000 0.537 450 S N 3.174 118.937 115.700 0.106 0.000 2.578 450 S HA 0.431 4.896 4.470 -0.008 0.000 0.283 450 S C -2.459 172.138 174.600 -0.004 0.000 1.195 450 S CA -1.274 56.952 58.200 0.044 0.000 1.050 450 S CB 1.379 64.578 63.200 -0.001 0.000 1.012 450 S HN -0.056 nan 8.310 nan 0.000 0.511 451 P HA 0.498 nan 4.420 nan 0.000 0.276 451 P C 0.429 177.700 177.300 -0.047 0.000 1.261 451 P CA 0.157 63.251 63.100 -0.011 0.000 0.800 451 P CB 0.249 31.950 31.700 0.002 0.000 1.066 452 G N -0.686 108.089 108.800 -0.042 0.000 2.627 452 G HA2 -0.153 3.802 3.960 -0.008 0.000 0.214 452 G HA3 -0.153 3.802 3.960 -0.008 0.000 0.214 452 G C -0.859 173.955 174.900 -0.142 0.000 1.331 452 G CA -0.632 44.426 45.100 -0.071 0.000 0.891 452 G HN 0.565 nan 8.290 nan 0.000 0.539 453 L N 1.762 122.886 121.223 -0.166 0.000 2.452 453 L HA 0.350 4.685 4.340 -0.008 0.000 0.267 453 L C -1.338 175.353 176.870 -0.299 0.000 1.188 453 L CA -1.414 53.274 54.840 -0.253 0.000 0.821 453 L CB 0.395 42.337 42.059 -0.195 0.000 1.102 453 L HN 0.431 nan 8.230 nan 0.000 0.470 454 P HA 0.072 nan 4.420 nan 0.000 0.271 454 P C -2.043 174.883 177.300 -0.622 0.000 1.233 454 P CA -1.021 61.605 63.100 -0.788 0.000 0.789 454 P CB -0.106 30.875 31.700 -1.197 0.000 0.951 455 P HA 0.096 nan 4.420 nan 0.000 0.233 455 P C 0.202 177.326 177.300 -0.293 0.000 1.167 455 P CA 1.124 63.955 63.100 -0.449 0.000 0.770 455 P CB 0.488 31.911 31.700 -0.462 0.000 0.837 456 I N -1.565 118.807 120.570 -0.330 0.000 2.722 456 I HA 0.340 4.506 4.170 -0.008 0.000 0.292 456 I C -1.130 174.948 176.117 -0.065 0.000 1.267 456 I CA -1.133 60.064 61.300 -0.173 0.000 1.036 456 I CB 2.793 40.653 38.000 -0.233 0.000 1.281 456 I HN -0.406 nan 8.210 nan 0.000 0.423 457 K N 8.000 128.339 120.400 -0.101 0.000 2.211 457 K HA 0.593 4.908 4.320 -0.008 0.000 0.275 457 K C -2.444 174.047 176.600 -0.181 0.000 1.024 457 K CA -1.535 54.571 56.287 -0.302 0.000 0.887 457 K CB 1.134 33.297 32.500 -0.562 0.000 1.084 457 K HN 0.293 nan 8.250 nan 0.000 0.463 458 P HA 0.001 nan 4.420 nan 0.000 0.272 458 P C -1.113 175.977 177.300 -0.351 0.000 1.248 458 P CA -0.312 62.622 63.100 -0.276 0.000 0.799 458 P CB 0.444 31.906 31.700 -0.397 0.000 0.997 459 N N 0.476 118.943 118.700 -0.387 0.000 2.455 459 N HA 0.253 4.988 4.740 -0.008 0.000 0.280 459 N C -0.931 174.463 175.510 -0.193 0.000 1.055 459 N CA 0.021 52.957 53.050 -0.189 0.000 0.961 459 N CB 0.320 38.736 38.487 -0.117 0.000 1.121 459 N HN 0.353 nan 8.380 nan 0.000 0.476 460 Y N -0.548 119.857 120.300 0.175 0.000 2.391 460 Y HA 0.175 4.720 4.550 -0.008 0.000 0.341 460 Y C 0.265 176.352 175.900 0.311 0.000 0.965 460 Y CA -1.176 57.137 58.100 0.356 0.000 1.067 460 Y CB 1.355 39.942 38.460 0.210 0.000 1.199 460 Y HN 0.444 nan 8.280 nan 0.000 0.450 461 D N 2.327 123.070 120.400 0.571 0.000 2.455 461 D HA 0.058 4.693 4.640 -0.008 0.000 0.241 461 D C 0.519 176.970 176.300 0.252 0.000 1.138 461 D CA 0.367 54.496 54.000 0.215 0.000 0.877 461 D CB 0.770 41.527 40.800 -0.071 0.000 1.187 461 D HN 0.426 nan 8.370 nan 0.000 0.451 462 M N 2.280 121.982 119.600 0.169 0.000 2.333 462 M HA 0.021 4.496 4.480 -0.008 0.000 0.257 462 M C 1.626 178.019 176.300 0.155 0.000 1.078 462 M CA 0.187 55.583 55.300 0.160 0.000 1.005 462 M CB -0.380 32.291 32.600 0.118 0.000 1.444 462 M HN 0.423 nan 8.290 nan 0.000 0.496 463 T N 1.679 116.315 114.554 0.136 0.000 2.665 463 T HA -0.120 4.226 4.350 -0.008 0.000 0.268 463 T C 1.880 176.658 174.700 0.129 0.000 1.035 463 T CA 1.398 63.565 62.100 0.111 0.000 1.151 463 T CB -0.185 68.734 68.868 0.085 0.000 0.862 463 T HN 0.359 nan 8.240 nan 0.000 0.438 464 L N 0.418 121.748 121.223 0.180 0.000 2.418 464 L HA 0.046 4.382 4.340 -0.008 0.000 0.218 464 L C 2.588 179.637 176.870 0.298 0.000 1.125 464 L CA 0.721 55.652 54.840 0.152 0.000 0.835 464 L CB -0.448 41.619 42.059 0.013 0.000 0.953 464 L HN 0.269 nan 8.230 nan 0.000 0.454 465 T N -1.154 113.620 114.554 0.367 0.000 2.978 465 T HA -0.053 4.292 4.350 -0.008 0.000 0.262 465 T C 1.582 176.411 174.700 0.215 0.000 1.063 465 T CA 0.840 63.144 62.100 0.339 0.000 1.140 465 T CB -0.176 68.815 68.868 0.205 0.000 0.886 465 T HN 0.361 nan 8.240 nan 0.000 0.470 466 N N 1.448 120.246 118.700 0.164 0.000 2.094 466 N HA -0.128 4.607 4.740 -0.008 0.000 0.191 466 N C 2.116 177.703 175.510 0.129 0.000 1.023 466 N CA 1.118 54.244 53.050 0.126 0.000 0.857 466 N CB -0.161 38.387 38.487 0.101 0.000 1.013 466 N HN 0.352 nan 8.380 nan 0.000 0.426 467 A N 0.360 123.256 122.820 0.127 0.000 1.969 467 A HA -0.114 4.202 4.320 -0.008 0.000 0.218 467 A C 2.387 180.064 177.584 0.155 0.000 1.169 467 A CA 0.907 53.013 52.037 0.114 0.000 0.635 467 A CB -0.706 18.340 19.000 0.077 0.000 0.810 467 A HN 0.478 nan 8.150 nan 0.000 0.445 468 C N -0.634 118.787 119.300 0.202 0.000 2.453 468 C HA -0.030 4.425 4.460 -0.008 0.000 0.277 468 C C 2.508 177.671 174.990 0.288 0.000 1.262 468 C CA 0.799 59.983 59.018 0.277 0.000 1.718 468 C CB -1.318 26.599 27.740 0.295 0.000 2.031 468 C HN 0.623 nan 8.230 nan 0.000 0.480 469 I N 1.646 122.340 120.570 0.205 0.000 2.252 469 I HA -0.193 3.972 4.170 -0.008 0.000 0.245 469 I C 2.829 179.065 176.117 0.198 0.000 1.102 469 I CA 1.567 62.971 61.300 0.173 0.000 1.385 469 I CB -0.637 37.436 38.000 0.121 0.000 1.064 469 I HN 0.279 nan 8.210 nan 0.000 0.414 470 A N 0.741 123.669 122.820 0.180 0.000 1.883 470 A HA -0.236 4.079 4.320 -0.008 0.000 0.217 470 A C 2.252 179.979 177.584 0.239 0.000 1.186 470 A CA 1.649 53.790 52.037 0.173 0.000 0.624 470 A CB -0.827 18.251 19.000 0.130 0.000 0.822 470 A HN 0.376 nan 8.150 nan 0.000 0.444 471 L N -0.361 121.033 121.223 0.285 0.000 2.056 471 L HA -0.070 4.266 4.340 -0.008 0.000 0.207 471 L C 2.624 179.901 176.870 0.678 0.000 1.078 471 L CA 2.402 57.477 54.840 0.392 0.000 0.749 471 L CB -0.764 41.403 42.059 0.180 0.000 0.901 471 L HN 0.361 nan 8.230 nan 0.000 0.433 472 S N -1.244 114.856 115.700 0.666 0.000 2.359 472 S HA -0.234 4.231 4.470 -0.008 0.000 0.224 472 S C 1.984 176.818 174.600 0.390 0.000 1.035 472 S CA 1.411 59.910 58.200 0.499 0.000 1.018 472 S CB -0.226 63.102 63.200 0.214 0.000 0.876 472 S HN 0.570 nan 8.310 nan 0.000 0.448 473 Q N 0.657 120.633 119.800 0.294 0.000 2.124 473 Q HA 0.002 4.337 4.340 -0.008 0.000 0.202 473 Q C 2.386 178.538 176.000 0.254 0.000 0.977 473 Q CA 1.057 56.994 55.803 0.223 0.000 0.850 473 Q CB -0.395 28.439 28.738 0.160 0.000 0.901 473 Q HN 0.578 nan 8.270 nan 0.000 0.429 474 R N -0.860 119.819 120.500 0.298 0.000 2.091 474 R HA -0.174 4.162 4.340 -0.008 0.000 0.238 474 R C 2.093 178.601 176.300 0.346 0.000 1.136 474 R CA 1.543 57.808 56.100 0.274 0.000 0.959 474 R CB -0.283 30.193 30.300 0.295 0.000 0.856 474 R HN 0.311 nan 8.270 nan 0.000 0.437 475 W N 0.724 122.228 121.300 0.340 0.000 2.379 475 W HA -0.053 4.602 4.660 -0.008 0.000 0.307 475 W C 2.044 178.724 176.519 0.269 0.000 1.200 475 W CA 0.691 58.174 57.345 0.230 0.000 1.297 475 W CB -0.300 29.232 29.460 0.121 0.000 1.140 475 W HN -0.013 nan 8.180 nan 0.000 0.507 476 I N 0.005 120.824 120.570 0.414 0.000 2.226 476 I HA -0.303 3.862 4.170 -0.008 0.000 0.245 476 I C 2.475 178.721 176.117 0.216 0.000 1.100 476 I CA 1.951 63.402 61.300 0.252 0.000 1.374 476 I CB -0.859 37.240 38.000 0.165 0.000 1.057 476 I HN 0.030 nan 8.210 nan 0.000 0.413 477 T N -1.327 113.352 114.554 0.207 0.000 3.100 477 T HA 0.328 4.674 4.350 -0.008 0.000 0.253 477 T C 0.869 175.668 174.700 0.164 0.000 1.118 477 T CA 0.069 62.259 62.100 0.150 0.000 1.058 477 T CB -0.285 68.648 68.868 0.108 0.000 0.953 477 T HN 0.209 nan 8.240 nan 0.000 0.515 478 A N 2.129 125.090 122.820 0.236 0.000 2.462 478 A HA 0.523 4.838 4.320 -0.008 0.000 0.243 478 A C 0.371 178.115 177.584 0.266 0.000 1.076 478 A CA -0.399 51.746 52.037 0.182 0.000 0.773 478 A CB 0.342 19.423 19.000 0.134 0.000 1.010 478 A HN 0.319 nan 8.150 nan 0.000 0.493 479 K N 0.762 121.234 120.400 0.120 0.000 2.288 479 K HA 0.245 4.560 4.320 -0.008 0.000 0.234 479 K C 1.080 177.715 176.600 0.059 0.000 1.037 479 K CA -0.615 55.752 56.287 0.133 0.000 0.914 479 K CB 0.472 33.011 32.500 0.065 0.000 1.197 479 K HN 0.862 nan 8.250 nan 0.000 0.471 480 E N 1.193 121.439 120.200 0.078 0.000 2.097 480 E HA -0.259 4.086 4.350 -0.008 0.000 0.196 480 E C 0.660 177.236 176.600 -0.039 0.000 1.000 480 E CA 2.091 58.504 56.400 0.022 0.000 0.804 480 E CB 0.069 29.791 29.700 0.037 0.000 0.740 480 E HN 0.587 nan 8.360 nan 0.000 0.454 481 D N -0.126 120.251 120.400 -0.038 0.000 2.371 481 D HA -0.145 4.491 4.640 -0.008 0.000 0.221 481 D C 0.771 177.004 176.300 -0.112 0.000 0.986 481 D CA 0.608 54.569 54.000 -0.064 0.000 0.899 481 D CB -0.172 40.598 40.800 -0.050 0.000 0.902 481 D HN 0.214 nan 8.370 nan 0.000 0.530 482 D N 0.079 120.394 120.400 -0.142 0.000 2.354 482 D HA 0.077 4.712 4.640 -0.008 0.000 0.209 482 D C 2.164 178.250 176.300 -0.356 0.000 1.015 482 D CA -0.037 53.812 54.000 -0.251 0.000 0.867 482 D CB 0.414 41.070 40.800 -0.241 0.000 0.933 482 D HN 0.287 nan 8.370 nan 0.000 0.520 483 L N 0.811 121.901 121.223 -0.221 0.000 2.131 483 L HA -0.166 4.169 4.340 -0.008 0.000 0.210 483 L C 2.152 178.944 176.870 -0.130 0.000 1.092 483 L CA 0.842 55.600 54.840 -0.136 0.000 0.759 483 L CB -0.440 41.555 42.059 -0.108 0.000 0.903 483 L HN -0.013 nan 8.230 nan 0.000 0.435 484 N N -0.046 118.558 118.700 -0.160 0.000 2.364 484 N HA -0.188 4.547 4.740 -0.008 0.000 0.183 484 N C 1.950 177.343 175.510 -0.196 0.000 1.022 484 N CA 1.245 54.214 53.050 -0.135 0.000 0.883 484 N CB 0.060 38.480 38.487 -0.112 0.000 0.965 484 N HN 0.342 nan 8.380 nan 0.000 0.438 485 S N -1.147 114.336 115.700 -0.361 0.000 2.428 485 S HA -0.010 4.456 4.470 -0.008 0.000 0.230 485 S C 0.444 174.788 174.600 -0.427 0.000 1.014 485 S CA 0.045 57.989 58.200 -0.428 0.000 0.957 485 S CB -0.613 62.252 63.200 -0.559 0.000 0.784 485 S HN 0.141 nan 8.310 nan 0.000 0.499 486 F N 2.989 122.790 119.950 -0.249 0.000 2.506 486 F HA 0.522 5.045 4.527 -0.008 0.000 0.351 486 F C 0.964 176.701 175.800 -0.106 0.000 1.136 486 F CA -0.506 57.372 58.000 -0.204 0.000 1.298 486 F CB 0.246 39.026 39.000 -0.367 0.000 1.145 486 F HN 0.230 nan 8.300 nan 0.000 0.593 487 N N 0.222 119.050 118.700 0.213 0.000 2.710 487 N HA 0.316 5.051 4.740 -0.008 0.000 0.257 487 N C 0.234 175.898 175.510 0.258 0.000 1.327 487 N CA 0.027 53.161 53.050 0.140 0.000 0.861 487 N CB 1.874 40.403 38.487 0.070 0.000 1.532 487 N HN 0.550 nan 8.380 nan 0.000 0.499 488 A N 0.723 123.648 122.820 0.174 0.000 1.986 488 A HA -0.189 4.126 4.320 -0.008 0.000 0.220 488 A C 1.869 179.516 177.584 0.104 0.000 1.171 488 A CA 2.854 54.995 52.037 0.174 0.000 0.640 488 A CB -1.254 17.792 19.000 0.077 0.000 0.811 488 A HN 0.859 nan 8.150 nan 0.000 0.451 489 T N -2.225 112.378 114.554 0.081 0.000 2.977 489 T HA -0.146 4.200 4.350 -0.008 0.000 0.271 489 T C 1.084 175.805 174.700 0.035 0.000 1.105 489 T CA 1.388 63.512 62.100 0.040 0.000 1.116 489 T CB -0.531 68.354 68.868 0.027 0.000 0.878 489 T HN 0.445 nan 8.240 nan 0.000 0.509 490 D N 1.617 122.072 120.400 0.092 0.000 2.265 490 D HA -0.013 4.623 4.640 -0.008 0.000 0.208 490 D C 1.663 177.914 176.300 -0.082 0.000 0.977 490 D CA 0.810 54.848 54.000 0.063 0.000 0.871 490 D CB -0.147 40.790 40.800 0.227 0.000 0.925 490 D HN 0.472 nan 8.370 nan 0.000 0.485 491 L N 0.362 121.498 121.223 -0.145 0.000 2.640 491 L HA 0.133 4.469 4.340 -0.008 0.000 0.230 491 L C 2.129 178.934 176.870 -0.108 0.000 1.123 491 L CA -0.091 54.624 54.840 -0.207 0.000 0.900 491 L CB 0.006 41.894 42.059 -0.285 0.000 1.146 491 L HN 0.002 nan 8.230 nan 0.000 0.484 492 K N -0.448 119.914 120.400 -0.063 0.000 2.211 492 K HA -0.119 4.196 4.320 -0.008 0.000 0.203 492 K C 0.368 176.944 176.600 -0.041 0.000 1.050 492 K CA 1.285 57.546 56.287 -0.043 0.000 0.945 492 K CB 0.018 32.504 32.500 -0.024 0.000 0.732 492 K HN 0.194 nan 8.250 nan 0.000 0.451 493 D N 1.140 121.515 120.400 -0.041 0.000 2.463 493 D HA 0.181 4.817 4.640 -0.008 0.000 0.224 493 D C -0.348 175.927 176.300 -0.043 0.000 1.174 493 D CA 0.011 53.990 54.000 -0.036 0.000 0.829 493 D CB 0.333 41.119 40.800 -0.023 0.000 0.993 493 D HN 0.192 nan 8.370 nan 0.000 0.497 494 L N 1.304 122.494 121.223 -0.057 0.000 2.295 494 L HA 0.232 4.568 4.340 -0.008 0.000 0.285 494 L C 1.070 177.906 176.870 -0.056 0.000 1.035 494 L CA -0.633 54.174 54.840 -0.055 0.000 0.806 494 L CB 1.685 43.702 42.059 -0.071 0.000 1.214 494 L HN -0.090 nan 8.230 nan 0.000 0.426 495 S N 0.594 116.261 115.700 -0.056 0.000 2.608 495 S HA 0.070 4.536 4.470 -0.008 0.000 0.261 495 S C 1.310 175.876 174.600 -0.057 0.000 1.314 495 S CA -0.121 58.045 58.200 -0.057 0.000 0.992 495 S CB 1.337 64.511 63.200 -0.043 0.000 0.935 495 S HN 0.750 nan 8.310 nan 0.000 0.564 496 S N 0.513 116.141 115.700 -0.120 0.000 2.383 496 S HA -0.246 4.219 4.470 -0.008 0.000 0.229 496 S C 1.508 176.021 174.600 -0.143 0.000 1.030 496 S CA 1.656 59.755 58.200 -0.169 0.000 1.002 496 S CB -1.343 61.702 63.200 -0.259 0.000 0.829 496 S HN 0.885 nan 8.310 nan 0.000 0.467 497 H N 1.637 120.723 119.070 0.027 0.000 2.353 497 H HA 0.015 4.566 4.556 -0.008 0.000 0.300 497 H C 2.549 178.010 175.328 0.221 0.000 1.090 497 H CA 1.905 58.044 56.048 0.152 0.000 1.327 497 H CB -0.301 29.585 29.762 0.207 0.000 1.383 497 H HN 0.523 nan 8.280 nan 0.000 0.508 498 Q N -0.302 119.613 119.800 0.192 0.000 2.123 498 Q HA -0.094 4.241 4.340 -0.008 0.000 0.199 498 Q C 1.896 178.011 176.000 0.192 0.000 0.966 498 Q CA 0.683 56.611 55.803 0.209 0.000 0.845 498 Q CB 0.023 28.794 28.738 0.056 0.000 0.907 498 Q HN 0.277 nan 8.270 nan 0.000 0.439 499 L N 1.191 122.467 121.223 0.088 0.000 2.046 499 L HA -0.186 4.150 4.340 -0.008 0.000 0.208 499 L C 1.990 178.905 176.870 0.076 0.000 1.077 499 L CA 1.665 56.543 54.840 0.064 0.000 0.747 499 L CB -0.753 41.279 42.059 -0.046 0.000 0.896 499 L HN 0.221 nan 8.230 nan 0.000 0.432 500 N N -0.482 118.249 118.700 0.052 0.000 2.104 500 N HA -0.253 4.483 4.740 -0.008 0.000 0.190 500 N C 1.873 177.426 175.510 0.071 0.000 1.024 500 N CA 1.441 54.513 53.050 0.038 0.000 0.853 500 N CB -0.004 38.527 38.487 0.074 0.000 1.008 500 N HN 0.286 nan 8.380 nan 0.000 0.424 501 E N -0.512 119.794 120.200 0.176 0.000 2.106 501 E HA -0.127 4.219 4.350 -0.008 0.000 0.192 501 E C 1.706 178.373 176.600 0.112 0.000 0.984 501 E CA 0.742 57.221 56.400 0.131 0.000 0.806 501 E CB -0.632 29.200 29.700 0.221 0.000 0.750 501 E HN 0.474 nan 8.360 nan 0.000 0.458 502 F N 0.659 120.638 119.950 0.047 0.000 2.091 502 F HA -0.172 4.351 4.527 -0.007 0.000 0.299 502 F C 1.712 177.501 175.800 -0.018 0.000 1.103 502 F CA 1.603 59.620 58.000 0.027 0.000 1.228 502 F CB -0.365 38.647 39.000 0.021 0.000 0.984 502 F HN 0.068 nan 8.300 nan 0.000 0.477 503 L N -0.045 120.969 121.223 -0.348 0.000 2.093 503 L HA -0.120 4.215 4.340 -0.008 0.000 0.208 503 L C 2.843 179.532 176.870 -0.300 0.000 1.085 503 L CA 1.016 55.585 54.840 -0.452 0.000 0.755 503 L CB -1.151 40.738 42.059 -0.284 0.000 0.904 503 L HN 0.277 nan 8.230 nan 0.000 0.435 504 A N -0.653 122.063 122.820 -0.173 0.000 1.908 504 A HA -0.235 4.080 4.320 -0.008 0.000 0.218 504 A C 2.266 179.765 177.584 -0.142 0.000 1.181 504 A CA 1.384 53.340 52.037 -0.134 0.000 0.627 504 A CB -0.403 18.549 19.000 -0.079 0.000 0.818 504 A HN 0.385 nan 8.150 nan 0.000 0.445 505 Q N -0.550 119.168 119.800 -0.137 0.000 2.096 505 Q HA -0.140 4.195 4.340 -0.008 0.000 0.204 505 Q C 2.232 178.150 176.000 -0.137 0.000 0.982 505 Q CA 2.137 57.878 55.803 -0.103 0.000 0.850 505 Q CB -0.918 27.794 28.738 -0.043 0.000 0.901 505 Q HN 0.703 nan 8.270 nan 0.000 0.422 506 T N 1.800 116.201 114.554 -0.255 0.000 2.777 506 T HA -0.110 4.235 4.350 -0.008 0.000 0.266 506 T C 1.880 176.470 174.700 -0.183 0.000 1.040 506 T CA 0.809 62.760 62.100 -0.249 0.000 1.141 506 T CB -0.302 68.285 68.868 -0.469 0.000 0.868 506 T HN 0.099 nan 8.240 nan 0.000 0.444 507 L N 1.445 122.547 121.223 -0.201 0.000 2.127 507 L HA -0.068 4.268 4.340 -0.008 0.000 0.211 507 L C 2.323 179.112 176.870 -0.135 0.000 1.089 507 L CA 1.649 56.386 54.840 -0.172 0.000 0.757 507 L CB -0.726 41.215 42.059 -0.196 0.000 0.899 507 L HN 0.259 nan 8.230 nan 0.000 0.434 508 Q N -0.873 118.858 119.800 -0.115 0.000 2.364 508 Q HA -0.161 4.175 4.340 -0.008 0.000 0.209 508 Q C 1.227 177.185 176.000 -0.071 0.000 0.977 508 Q CA 1.054 56.805 55.803 -0.087 0.000 0.885 508 Q CB 0.060 28.758 28.738 -0.067 0.000 0.941 508 Q HN 0.392 nan 8.270 nan 0.000 0.464 509 R N -0.693 119.763 120.500 -0.072 0.000 2.509 509 R HA 0.274 4.610 4.340 -0.008 0.000 0.300 509 R C -0.327 175.932 176.300 -0.068 0.000 0.985 509 R CA -0.018 56.049 56.100 -0.054 0.000 1.092 509 R CB 0.775 31.058 30.300 -0.029 0.000 1.237 509 R HN 0.043 nan 8.270 nan 0.000 0.546 510 A N 2.211 124.976 122.820 -0.092 0.000 2.425 510 A HA 0.393 4.708 4.320 -0.008 0.000 0.242 510 A C -1.822 175.703 177.584 -0.099 0.000 1.077 510 A CA -0.960 51.013 52.037 -0.106 0.000 0.781 510 A CB -0.259 18.661 19.000 -0.134 0.000 1.020 510 A HN 0.044 nan 8.150 nan 0.000 0.494 511 P HA 0.423 nan 4.420 nan 0.000 0.274 511 P C -0.951 176.280 177.300 -0.114 0.000 1.231 511 P CA -0.286 62.740 63.100 -0.124 0.000 0.790 511 P CB 0.585 32.205 31.700 -0.132 0.000 0.951 512 L N 2.965 124.115 121.223 -0.121 0.000 2.365 512 L HA 0.518 4.853 4.340 -0.008 0.000 0.267 512 L C -2.076 174.688 176.870 -0.178 0.000 1.033 512 L CA -2.141 52.615 54.840 -0.140 0.000 0.802 512 L CB -0.056 41.957 42.059 -0.077 0.000 1.267 512 L HN 0.294 nan 8.230 nan 0.000 0.457 513 P HA -0.004 nan 4.420 nan 0.000 0.267 513 P C 0.541 177.768 177.300 -0.122 0.000 1.200 513 P CA -0.251 62.719 63.100 -0.217 0.000 0.772 513 P CB 0.474 31.977 31.700 -0.328 0.000 0.855 514 L N 3.774 124.929 121.223 -0.114 0.000 2.079 514 L HA -0.080 4.256 4.340 -0.008 0.000 0.210 514 L C 2.161 178.924 176.870 -0.178 0.000 1.081 514 L CA 2.532 57.270 54.840 -0.171 0.000 0.752 514 L CB -1.542 40.426 42.059 -0.151 0.000 0.896 514 L HN 0.536 nan 8.230 nan 0.000 0.433 515 G N -2.326 106.445 108.800 -0.047 0.000 2.448 515 G HA2 -0.283 3.672 3.960 -0.008 0.000 0.219 515 G HA3 -0.283 3.672 3.960 -0.008 0.000 0.219 515 G C 1.245 176.208 174.900 0.105 0.000 1.127 515 G CA 0.932 46.034 45.100 0.003 0.000 0.766 515 G HN 0.532 nan 8.290 nan 0.000 0.552 516 H N 0.341 119.414 119.070 0.005 0.000 2.326 516 H HA 0.031 4.583 4.556 -0.007 0.000 0.301 516 H C 2.608 177.952 175.328 0.028 0.000 1.081 516 H CA 0.817 56.956 56.048 0.152 0.000 1.334 516 H CB -0.068 29.820 29.762 0.210 0.000 1.385 516 H HN 0.206 nan 8.280 nan 0.000 0.504 517 I N 0.905 121.481 120.570 0.011 0.000 2.315 517 I HA -0.192 3.974 4.170 -0.008 0.000 0.248 517 I C 1.929 177.900 176.117 -0.244 0.000 1.117 517 I CA 1.211 62.451 61.300 -0.099 0.000 1.404 517 I CB -0.833 37.061 38.000 -0.177 0.000 1.071 517 I HN 0.232 nan 8.210 nan 0.000 0.419 518 K N 0.282 120.380 120.400 -0.503 0.000 2.057 518 K HA -0.209 4.107 4.320 -0.008 0.000 0.207 518 K C 2.238 178.739 176.600 -0.165 0.000 1.049 518 K CA 1.197 57.147 56.287 -0.561 0.000 0.931 518 K CB -0.155 32.035 32.500 -0.517 0.000 0.714 518 K HN 0.027 nan 8.250 nan 0.000 0.440 519 R N 1.297 121.756 120.500 -0.069 0.000 2.081 519 R HA -0.025 4.310 4.340 -0.008 0.000 0.235 519 R C 2.090 178.356 176.300 -0.057 0.000 1.131 519 R CA 1.469 57.579 56.100 0.016 0.000 0.960 519 R CB -0.362 30.022 30.300 0.141 0.000 0.856 519 R HN 0.143 nan 8.270 nan 0.000 0.436 520 M N -0.107 119.387 119.600 -0.177 0.000 2.082 520 M HA -0.254 4.221 4.480 -0.008 0.000 0.258 520 M C 2.140 178.182 176.300 -0.429 0.000 1.069 520 M CA 2.166 57.152 55.300 -0.523 0.000 1.102 520 M CB -0.174 32.137 32.600 -0.482 0.000 1.336 520 M HN 0.188 nan 8.290 nan 0.000 0.404 521 Q N 0.549 120.315 119.800 -0.057 0.000 2.124 521 Q HA -0.221 4.114 4.340 -0.008 0.000 0.202 521 Q C 1.635 177.617 176.000 -0.030 0.000 0.977 521 Q CA 2.137 57.971 55.803 0.051 0.000 0.850 521 Q CB -0.307 28.753 28.738 0.538 0.000 0.901 521 Q HN 0.616 nan 8.270 nan 0.000 0.429 522 E N -0.894 119.289 120.200 -0.027 0.000 2.077 522 E HA -0.147 4.198 4.350 -0.008 0.000 0.193 522 E C 1.633 178.179 176.600 -0.090 0.000 0.989 522 E CA 1.831 58.214 56.400 -0.027 0.000 0.800 522 E CB 0.109 29.802 29.700 -0.012 0.000 0.746 522 E HN 0.381 nan 8.360 nan 0.000 0.452 523 V N -2.098 117.699 119.914 -0.196 0.000 3.307 523 V HA 0.048 4.164 4.120 -0.008 0.000 0.253 523 V C 1.353 177.352 176.094 -0.159 0.000 1.149 523 V CA 0.425 62.609 62.300 -0.194 0.000 1.112 523 V CB -0.339 31.348 31.823 -0.227 0.000 0.777 523 V HN 0.176 nan 8.190 nan 0.000 0.464 524 Y N 0.589 120.665 120.300 -0.373 0.000 2.442 524 Y HA 0.393 4.938 4.550 -0.008 0.000 0.250 524 Y C 1.346 176.896 175.900 -0.582 0.000 1.113 524 Y CA -0.756 56.969 58.100 -0.625 0.000 1.273 524 Y CB -0.932 36.731 38.460 -1.327 0.000 1.138 524 Y HN 0.476 nan 8.280 nan 0.000 0.522 525 N N 0.392 118.918 118.700 -0.290 0.000 2.714 525 N HA -0.265 4.470 4.740 -0.008 0.000 0.252 525 N C 0.369 175.793 175.510 -0.143 0.000 1.014 525 N CA 0.015 52.976 53.050 -0.148 0.000 0.735 525 N CB -1.160 37.296 38.487 -0.052 0.000 0.924 525 N HN 0.347 nan 8.380 nan 0.000 0.540 526 F N -0.250 119.457 119.950 -0.405 0.000 2.333 526 F HA -0.136 4.386 4.527 -0.007 0.000 0.300 526 F C 2.121 177.707 175.800 -0.356 0.000 1.083 526 F CA 0.821 58.417 58.000 -0.673 0.000 1.395 526 F CB -0.162 37.815 39.000 -1.704 0.000 1.056 526 F HN 0.374 nan 8.300 nan 0.000 0.529 527 N N 0.327 119.115 118.700 0.147 0.000 2.364 527 N HA -0.146 4.589 4.740 -0.008 0.000 0.183 527 N C 1.747 177.341 175.510 0.140 0.000 1.022 527 N CA 0.572 53.800 53.050 0.296 0.000 0.883 527 N CB -0.131 38.515 38.487 0.266 0.000 0.965 527 N HN 0.207 nan 8.380 nan 0.000 0.438 528 A N 0.539 123.406 122.820 0.078 0.000 2.208 528 A HA 0.139 4.454 4.320 -0.008 0.000 0.209 528 A C 0.789 178.395 177.584 0.036 0.000 1.161 528 A CA 0.022 52.088 52.037 0.048 0.000 0.782 528 A CB -0.010 19.007 19.000 0.028 0.000 0.816 528 A HN 0.125 nan 8.150 nan 0.000 0.477 529 I N 1.083 121.677 120.570 0.041 0.000 2.416 529 I HA 0.080 4.245 4.170 -0.008 0.000 0.288 529 I C 0.342 176.466 176.117 0.012 0.000 1.051 529 I CA -0.450 60.859 61.300 0.015 0.000 1.375 529 I CB 0.897 38.891 38.000 -0.010 0.000 1.407 529 I HN 0.144 nan 8.210 nan 0.000 0.516 530 N N 3.669 122.368 118.700 -0.000 0.000 2.299 530 N HA -0.034 4.701 4.740 -0.008 0.000 0.187 530 N C 0.505 176.006 175.510 -0.014 0.000 1.099 530 N CA 0.148 53.196 53.050 -0.003 0.000 0.867 530 N CB -0.035 38.451 38.487 -0.000 0.000 0.974 530 N HN 0.555 nan 8.380 nan 0.000 0.477 531 N N 1.580 120.266 118.700 -0.023 0.000 2.374 531 N HA -0.037 4.699 4.740 -0.008 0.000 0.269 531 N C 0.607 176.091 175.510 -0.042 0.000 1.310 531 N CA 0.344 53.378 53.050 -0.026 0.000 0.877 531 N CB 0.680 39.140 38.487 -0.045 0.000 1.096 531 N HN -0.064 nan 8.380 nan 0.000 0.484 532 S N 3.310 118.989 115.700 -0.035 0.000 2.399 532 S HA -0.083 4.382 4.470 -0.008 0.000 0.231 532 S C 1.393 175.804 174.600 -0.314 0.000 1.022 532 S CA 0.671 58.768 58.200 -0.171 0.000 0.983 532 S CB 0.103 63.264 63.200 -0.065 0.000 0.803 532 S HN 0.611 nan 8.310 nan 0.000 0.480 533 E N 1.000 121.164 120.200 -0.060 0.000 2.072 533 E HA -0.065 4.280 4.350 -0.008 0.000 0.191 533 E C 2.025 178.642 176.600 0.028 0.000 0.985 533 E CA 0.840 57.272 56.400 0.053 0.000 0.801 533 E CB -0.322 29.470 29.700 0.153 0.000 0.750 533 E HN 0.520 nan 8.360 nan 0.000 0.452 534 I N 0.586 121.136 120.570 -0.034 0.000 2.202 534 I HA -0.232 3.933 4.170 -0.008 0.000 0.242 534 I C 2.820 178.899 176.117 -0.062 0.000 1.091 534 I CA 0.913 62.160 61.300 -0.088 0.000 1.368 534 I CB -0.220 37.693 38.000 -0.145 0.000 1.058 534 I HN -0.002 nan 8.210 nan 0.000 0.410 535 R N 0.646 121.121 120.500 -0.041 0.000 2.081 535 R HA -0.232 4.104 4.340 -0.008 0.000 0.235 535 R C 2.435 178.746 176.300 0.019 0.000 1.131 535 R CA 1.687 57.810 56.100 0.038 0.000 0.960 535 R CB -0.388 29.912 30.300 0.000 0.000 0.856 535 R HN 0.258 nan 8.270 nan 0.000 0.436 536 F N 1.403 121.188 119.950 -0.275 0.000 2.069 536 F HA -0.202 4.320 4.527 -0.009 0.000 0.298 536 F C 2.040 177.755 175.800 -0.142 0.000 1.113 536 F CA 1.763 59.582 58.000 -0.302 0.000 1.214 536 F CB -0.239 38.423 39.000 -0.563 0.000 0.978 536 F HN -0.085 nan 8.300 nan 0.000 0.474 537 R N -0.452 119.877 120.500 -0.285 0.000 2.092 537 R HA -0.204 4.131 4.340 -0.008 0.000 0.231 537 R C 2.406 178.575 176.300 -0.219 0.000 1.119 537 R CA 1.514 57.376 56.100 -0.397 0.000 0.970 537 R CB -1.121 29.054 30.300 -0.209 0.000 0.864 537 R HN 0.659 nan 8.270 nan 0.000 0.440 538 W N 1.646 122.771 121.300 -0.291 0.000 2.335 538 W HA -0.203 4.453 4.660 -0.007 0.000 0.311 538 W C 1.256 177.690 176.519 -0.142 0.000 1.213 538 W CA 1.178 58.404 57.345 -0.199 0.000 1.274 538 W CB -0.106 29.256 29.460 -0.162 0.000 1.148 538 W HN 0.073 nan 8.180 nan 0.000 0.498 539 L N 0.565 121.594 121.223 -0.324 0.000 2.109 539 L HA -0.149 4.186 4.340 -0.008 0.000 0.207 539 L C 2.847 179.489 176.870 -0.381 0.000 1.086 539 L CA 1.059 55.634 54.840 -0.442 0.000 0.760 539 L CB -0.866 41.036 42.059 -0.261 0.000 0.910 539 L HN -0.090 nan 8.230 nan 0.000 0.437 540 R N -0.069 120.199 120.500 -0.388 0.000 2.091 540 R HA -0.203 4.132 4.340 -0.008 0.000 0.238 540 R C 2.244 178.358 176.300 -0.311 0.000 1.136 540 R CA 1.391 57.274 56.100 -0.362 0.000 0.959 540 R CB -0.603 29.400 30.300 -0.494 0.000 0.856 540 R HN 0.201 nan 8.270 nan 0.000 0.437 541 L N 0.639 121.677 121.223 -0.309 0.000 2.046 541 L HA -0.182 4.154 4.340 -0.008 0.000 0.208 541 L C 2.158 178.854 176.870 -0.291 0.000 1.077 541 L CA 1.659 56.347 54.840 -0.254 0.000 0.747 541 L CB -0.465 41.498 42.059 -0.161 0.000 0.896 541 L HN 0.176 nan 8.230 nan 0.000 0.432 542 C N -0.536 118.509 119.300 -0.424 0.000 2.453 542 C HA -0.114 4.342 4.460 -0.008 0.000 0.277 542 C C 2.684 177.530 174.990 -0.239 0.000 1.262 542 C CA 0.520 59.327 59.018 -0.352 0.000 1.718 542 C CB -0.849 26.572 27.740 -0.531 0.000 2.031 542 C HN 0.550 nan 8.230 nan 0.000 0.480 543 I N 0.772 121.183 120.570 -0.264 0.000 2.252 543 I HA -0.168 3.998 4.170 -0.008 0.000 0.245 543 I C 2.527 178.418 176.117 -0.376 0.000 1.102 543 I CA 1.587 62.733 61.300 -0.257 0.000 1.385 543 I CB -1.624 36.296 38.000 -0.133 0.000 1.064 543 I HN 0.517 nan 8.210 nan 0.000 0.414 544 Q N 0.179 119.810 119.800 -0.282 0.000 2.226 544 Q HA -0.095 4.241 4.340 -0.008 0.000 0.204 544 Q C 1.854 177.681 176.000 -0.290 0.000 0.975 544 Q CA 1.273 56.919 55.803 -0.261 0.000 0.866 544 Q CB -0.061 28.560 28.738 -0.195 0.000 0.915 544 Q HN 0.371 nan 8.270 nan 0.000 0.440 545 S N 0.267 115.797 115.700 -0.283 0.000 2.605 545 S HA 0.055 4.520 4.470 -0.008 0.000 0.217 545 S C -0.121 174.310 174.600 -0.281 0.000 0.958 545 S CA -0.051 58.004 58.200 -0.241 0.000 0.919 545 S CB 0.343 63.431 63.200 -0.186 0.000 0.780 545 S HN 0.218 nan 8.310 nan 0.000 0.507 546 K N -0.153 119.937 120.400 -0.516 0.000 3.251 546 K HA -0.148 4.167 4.320 -0.008 0.000 0.282 546 K C -0.893 175.619 176.600 -0.147 0.000 1.201 546 K CA 0.470 56.305 56.287 -0.753 0.000 0.827 546 K CB -1.961 30.291 32.500 -0.413 0.000 1.286 546 K HN 0.532 nan 8.250 nan 0.000 0.503 547 W N 3.067 124.215 121.300 -0.255 0.000 2.416 547 W HA 0.196 4.851 4.660 -0.008 0.000 0.318 547 W C 1.117 177.684 176.519 0.081 0.000 1.150 547 W CA -0.853 56.452 57.345 -0.066 0.000 1.392 547 W CB 0.005 29.388 29.460 -0.129 0.000 1.311 547 W HN 0.150 nan 8.180 nan 0.000 0.436 548 E N 1.938 122.379 120.200 0.401 0.000 2.204 548 E HA -0.229 4.116 4.350 -0.008 0.000 0.195 548 E C 1.012 177.561 176.600 -0.085 0.000 0.990 548 E CA 1.433 57.958 56.400 0.208 0.000 0.821 548 E CB 0.285 30.083 29.700 0.164 0.000 0.750 548 E HN 0.384 nan 8.360 nan 0.000 0.477 549 D N 0.618 120.787 120.400 -0.385 0.000 2.263 549 D HA -0.105 4.530 4.640 -0.008 0.000 0.208 549 D C 1.646 177.604 176.300 -0.570 0.000 0.971 549 D CA 0.987 54.647 54.000 -0.567 0.000 0.867 549 D CB -0.122 40.108 40.800 -0.950 0.000 0.929 549 D HN 0.183 nan 8.370 nan 0.000 0.492 550 A N 0.016 122.483 122.820 -0.588 0.000 2.167 550 A HA 0.003 4.319 4.320 -0.008 0.000 0.214 550 A C 2.133 179.589 177.584 -0.212 0.000 1.151 550 A CA 0.189 51.985 52.037 -0.402 0.000 0.735 550 A CB -0.466 18.311 19.000 -0.372 0.000 0.802 550 A HN 0.170 nan 8.150 nan 0.000 0.467 551 I N 0.754 121.246 120.570 -0.130 0.000 2.127 551 I HA -0.169 3.997 4.170 -0.008 0.000 0.241 551 I C -0.310 175.743 176.117 -0.106 0.000 1.075 551 I CA 1.555 62.812 61.300 -0.071 0.000 1.334 551 I CB -1.038 36.938 38.000 -0.040 0.000 1.040 551 I HN 0.234 nan 8.210 nan 0.000 0.405 552 P HA -0.145 nan 4.420 nan 0.000 0.218 552 P C 1.943 179.177 177.300 -0.109 0.000 1.149 552 P CA 1.562 64.602 63.100 -0.100 0.000 0.817 552 P CB -0.070 31.577 31.700 -0.090 0.000 0.785 553 L N -0.656 120.489 121.223 -0.130 0.000 2.056 553 L HA -0.100 4.235 4.340 -0.008 0.000 0.207 553 L C 2.740 179.538 176.870 -0.121 0.000 1.078 553 L CA 1.585 56.355 54.840 -0.116 0.000 0.749 553 L CB -1.225 40.756 42.059 -0.130 0.000 0.901 553 L HN -0.053 nan 8.230 nan 0.000 0.433 554 A N 0.133 122.867 122.820 -0.143 0.000 1.929 554 A HA -0.102 4.214 4.320 -0.008 0.000 0.216 554 A C 2.265 179.734 177.584 -0.191 0.000 1.176 554 A CA 1.059 53.006 52.037 -0.151 0.000 0.628 554 A CB -0.576 18.336 19.000 -0.147 0.000 0.816 554 A HN 0.312 nan 8.150 nan 0.000 0.444 555 L N -0.446 120.663 121.223 -0.191 0.000 2.042 555 L HA -0.234 4.101 4.340 -0.008 0.000 0.210 555 L C 2.640 179.382 176.870 -0.215 0.000 1.076 555 L CA 2.082 56.777 54.840 -0.242 0.000 0.749 555 L CB -0.367 41.597 42.059 -0.159 0.000 0.893 555 L HN 0.503 nan 8.230 nan 0.000 0.432 556 K N 0.245 120.562 120.400 -0.138 0.000 2.026 556 K HA -0.238 4.078 4.320 -0.008 0.000 0.208 556 K C 2.255 178.798 176.600 -0.095 0.000 1.048 556 K CA 1.624 57.852 56.287 -0.098 0.000 0.929 556 K CB -0.131 32.330 32.500 -0.064 0.000 0.713 556 K HN 0.122 nan 8.250 nan 0.000 0.439 557 M N 0.345 119.889 119.600 -0.094 0.000 2.117 557 M HA -0.143 4.333 4.480 -0.008 0.000 0.262 557 M C 1.989 178.245 176.300 -0.073 0.000 1.065 557 M CA 1.859 57.119 55.300 -0.066 0.000 1.114 557 M CB -0.127 32.436 32.600 -0.061 0.000 1.361 557 M HN 0.300 nan 8.290 nan 0.000 0.408 558 A N -0.467 122.253 122.820 -0.166 0.000 1.972 558 A HA -0.163 4.152 4.320 -0.008 0.000 0.219 558 A C 2.087 179.585 177.584 -0.143 0.000 1.169 558 A CA 2.194 54.091 52.037 -0.233 0.000 0.635 558 A CB -1.046 17.544 19.000 -0.683 0.000 0.810 558 A HN 0.712 nan 8.150 nan 0.000 0.446 559 T N -3.913 110.541 114.554 -0.167 0.000 3.000 559 T HA 0.162 4.507 4.350 -0.008 0.000 0.248 559 T C 1.373 176.054 174.700 -0.032 0.000 1.034 559 T CA 0.712 62.730 62.100 -0.137 0.000 1.060 559 T CB -0.053 68.596 68.868 -0.366 0.000 0.983 559 T HN 0.504 nan 8.240 nan 0.000 0.482 560 E N 1.181 121.369 120.200 -0.019 0.000 2.435 560 E HA 0.076 4.422 4.350 -0.008 0.000 0.195 560 E C 0.542 177.166 176.600 0.040 0.000 1.029 560 E CA 0.270 56.684 56.400 0.022 0.000 0.865 560 E CB 0.158 29.866 29.700 0.012 0.000 0.833 560 E HN 0.740 nan 8.360 nan 0.000 0.510 561 Q N -1.902 117.926 119.800 0.046 0.000 2.605 561 Q HA 0.561 4.896 4.340 -0.008 0.000 0.296 561 Q C 0.212 176.254 176.000 0.071 0.000 1.056 561 Q CA -0.878 54.966 55.803 0.068 0.000 0.778 561 Q CB 1.096 29.888 28.738 0.090 0.000 1.497 561 Q HN -0.062 nan 8.270 nan 0.000 0.443 562 G N -0.374 108.459 108.800 0.055 0.000 4.165 562 G HA2 0.118 4.073 3.960 -0.008 0.000 0.287 562 G HA3 0.118 4.073 3.960 -0.008 0.000 0.287 562 G C -0.596 174.255 174.900 -0.082 0.000 1.019 562 G CA -0.555 44.560 45.100 0.025 0.000 0.806 562 G HN 0.438 nan 8.290 nan 0.000 0.447 563 R N 0.886 121.327 120.500 -0.099 0.000 2.458 563 R HA 0.197 4.532 4.340 -0.008 0.000 0.303 563 R C 1.489 177.602 176.300 -0.311 0.000 1.013 563 R CA -0.201 55.733 56.100 -0.276 0.000 1.026 563 R CB 0.267 30.359 30.300 -0.346 0.000 0.948 563 R HN 0.172 nan 8.270 nan 0.000 0.417 564 M N 3.630 123.014 119.600 -0.360 0.000 2.213 564 M HA -0.205 4.271 4.480 -0.008 0.000 0.263 564 M C 2.031 178.204 176.300 -0.212 0.000 1.062 564 M CA 1.623 56.781 55.300 -0.237 0.000 1.105 564 M CB -0.261 32.192 32.600 -0.245 0.000 1.385 564 M HN 0.640 nan 8.290 nan 0.000 0.417 565 K N 0.466 120.655 120.400 -0.351 0.000 2.173 565 K HA -0.206 4.109 4.320 -0.008 0.000 0.207 565 K C 1.311 177.595 176.600 -0.526 0.000 1.046 565 K CA 1.700 57.719 56.287 -0.448 0.000 0.929 565 K CB 0.058 32.138 32.500 -0.700 0.000 0.720 565 K HN 0.183 nan 8.250 nan 0.000 0.453 566 F N -0.475 119.179 119.950 -0.493 0.000 2.399 566 F HA 0.108 4.630 4.527 -0.008 0.000 0.282 566 F C 2.496 178.218 175.800 -0.129 0.000 1.027 566 F CA 0.542 58.184 58.000 -0.597 0.000 1.333 566 F CB -1.000 37.725 39.000 -0.458 0.000 1.132 566 F HN -0.111 nan 8.300 nan 0.000 0.590 567 T N 0.798 115.416 114.554 0.105 0.000 2.746 567 T HA -0.139 4.207 4.350 -0.008 0.000 0.267 567 T C 2.141 176.975 174.700 0.223 0.000 1.039 567 T CA 1.436 63.630 62.100 0.158 0.000 1.142 567 T CB -0.190 68.769 68.868 0.151 0.000 0.866 567 T HN 0.111 nan 8.240 nan 0.000 0.444 568 R N 0.737 121.315 120.500 0.131 0.000 2.070 568 R HA -0.054 4.282 4.340 -0.008 0.000 0.233 568 R C -0.493 175.905 176.300 0.164 0.000 1.137 568 R CA 1.489 57.668 56.100 0.130 0.000 0.945 568 R CB -1.306 29.022 30.300 0.048 0.000 0.845 568 R HN 0.358 nan 8.270 nan 0.000 0.430 569 P HA -0.085 nan 4.420 nan 0.000 0.221 569 P C 1.071 178.480 177.300 0.183 0.000 1.150 569 P CA 1.061 64.282 63.100 0.201 0.000 0.800 569 P CB 0.031 31.923 31.700 0.319 0.000 0.787 570 L N -2.444 118.913 121.223 0.223 0.000 2.027 570 L HA -0.150 4.185 4.340 -0.008 0.000 0.206 570 L C 2.313 179.198 176.870 0.026 0.000 1.074 570 L CA 1.446 56.333 54.840 0.079 0.000 0.745 570 L CB -0.958 41.117 42.059 0.025 0.000 0.898 570 L HN -0.104 nan 8.230 nan 0.000 0.433 571 F N 0.417 120.384 119.950 0.028 0.000 2.171 571 F HA -0.229 4.294 4.527 -0.007 0.000 0.300 571 F C 2.639 178.429 175.800 -0.016 0.000 1.090 571 F CA 1.505 59.499 58.000 -0.010 0.000 1.293 571 F CB -0.341 38.634 39.000 -0.042 0.000 1.013 571 F HN -0.057 nan 8.300 nan 0.000 0.486 572 K N 0.029 120.534 120.400 0.175 0.000 2.057 572 K HA -0.171 4.144 4.320 -0.008 0.000 0.206 572 K C 1.658 178.306 176.600 0.081 0.000 1.050 572 K CA 1.667 58.011 56.287 0.096 0.000 0.935 572 K CB -0.141 32.394 32.500 0.058 0.000 0.715 572 K HN 0.103 nan 8.250 nan 0.000 0.439 573 D N 0.740 121.176 120.400 0.060 0.000 2.117 573 D HA -0.125 4.510 4.640 -0.008 0.000 0.198 573 D C 1.867 178.216 176.300 0.082 0.000 0.982 573 D CA 0.869 54.890 54.000 0.034 0.000 0.828 573 D CB -0.090 40.694 40.800 -0.027 0.000 0.967 573 D HN 0.159 nan 8.370 nan 0.000 0.464 574 L N 0.495 121.767 121.223 0.081 0.000 2.131 574 L HA -0.123 4.212 4.340 -0.008 0.000 0.210 574 L C 2.370 179.323 176.870 0.138 0.000 1.092 574 L CA 1.065 55.972 54.840 0.111 0.000 0.759 574 L CB -0.314 41.764 42.059 0.032 0.000 0.903 574 L HN -0.017 nan 8.230 nan 0.000 0.435 575 A N -0.329 122.570 122.820 0.131 0.000 2.014 575 A HA 0.004 4.319 4.320 -0.008 0.000 0.218 575 A C 2.400 180.154 177.584 0.284 0.000 1.163 575 A CA 1.339 53.471 52.037 0.158 0.000 0.652 575 A CB -0.449 18.612 19.000 0.101 0.000 0.808 575 A HN 0.369 nan 8.150 nan 0.000 0.449 576 A N -1.566 121.371 122.820 0.195 0.000 2.123 576 A HA 0.298 4.613 4.320 -0.008 0.000 0.214 576 A C 0.599 178.314 177.584 0.218 0.000 1.152 576 A CA 0.029 52.166 52.037 0.167 0.000 0.728 576 A CB -0.276 18.780 19.000 0.093 0.000 0.814 576 A HN 0.436 nan 8.150 nan 0.000 0.464 577 F N 2.595 122.577 119.950 0.053 0.000 2.421 577 F HA 0.290 4.812 4.527 -0.008 0.000 0.358 577 F C 0.925 176.762 175.800 0.062 0.000 1.115 577 F CA -1.897 56.124 58.000 0.034 0.000 1.160 577 F CB 0.593 39.600 39.000 0.012 0.000 1.123 577 F HN 0.329 nan 8.300 nan 0.000 0.508 578 D N 4.000 124.511 120.400 0.186 0.000 2.149 578 D HA -0.229 4.406 4.640 -0.008 0.000 0.198 578 D C 1.347 177.525 176.300 -0.203 0.000 0.990 578 D CA 1.350 55.345 54.000 -0.008 0.000 0.839 578 D CB -0.162 40.647 40.800 0.015 0.000 0.948 578 D HN 0.390 nan 8.370 nan 0.000 0.460 579 K N 0.159 120.182 120.400 -0.628 0.000 2.209 579 K HA -0.009 4.306 4.320 -0.008 0.000 0.204 579 K C 2.001 178.317 176.600 -0.473 0.000 1.048 579 K CA 1.287 57.188 56.287 -0.644 0.000 0.940 579 K CB -0.120 31.778 32.500 -1.002 0.000 0.729 579 K HN 0.443 nan 8.250 nan 0.000 0.451 580 S N -0.919 114.497 115.700 -0.473 0.000 2.539 580 S HA 0.022 4.487 4.470 -0.008 0.000 0.221 580 S C 1.623 176.197 174.600 -0.044 0.000 0.987 580 S CA -0.372 57.710 58.200 -0.197 0.000 0.929 580 S CB -0.182 62.955 63.200 -0.106 0.000 0.832 580 S HN 0.284 nan 8.310 nan 0.000 0.492 581 H N 2.603 121.623 119.070 -0.083 0.000 2.289 581 H HA -0.141 4.410 4.556 -0.008 0.000 0.296 581 H C 0.926 176.264 175.328 0.016 0.000 1.091 581 H CA 2.348 58.393 56.048 -0.006 0.000 1.274 581 H CB -0.292 29.466 29.762 -0.006 0.000 1.364 581 H HN 0.324 nan 8.280 nan 0.000 0.490 582 D N 0.239 120.678 120.400 0.066 0.000 2.144 582 D HA -0.141 4.494 4.640 -0.008 0.000 0.200 582 D C 2.335 178.622 176.300 -0.022 0.000 0.978 582 D CA 0.818 54.836 54.000 0.031 0.000 0.833 582 D CB -0.390 40.458 40.800 0.079 0.000 0.961 582 D HN 0.529 nan 8.370 nan 0.000 0.470 583 Q N 0.233 120.024 119.800 -0.015 0.000 2.119 583 Q HA -0.084 4.252 4.340 -0.008 0.000 0.201 583 Q C 2.008 178.028 176.000 0.033 0.000 0.972 583 Q CA 1.262 57.067 55.803 0.004 0.000 0.847 583 Q CB 0.019 28.750 28.738 -0.011 0.000 0.903 583 Q HN 0.190 nan 8.270 nan 0.000 0.433 584 A N -0.130 122.697 122.820 0.012 0.000 1.883 584 A HA -0.163 4.152 4.320 -0.008 0.000 0.217 584 A C 2.181 179.873 177.584 0.180 0.000 1.186 584 A CA 1.681 53.793 52.037 0.125 0.000 0.624 584 A CB -0.817 18.234 19.000 0.085 0.000 0.822 584 A HN 0.304 nan 8.150 nan 0.000 0.444 585 V N -0.041 119.864 119.914 -0.015 0.000 2.358 585 V HA -0.238 3.878 4.120 -0.008 0.000 0.246 585 V C 2.638 178.790 176.094 0.097 0.000 1.047 585 V CA 2.138 64.446 62.300 0.013 0.000 1.035 585 V CB -0.802 30.950 31.823 -0.119 0.000 0.658 585 V HN 0.515 nan 8.190 nan 0.000 0.452 586 R N -0.326 120.215 120.500 0.068 0.000 2.096 586 R HA -0.131 4.205 4.340 -0.008 0.000 0.235 586 R C 2.369 178.743 176.300 0.123 0.000 1.127 586 R CA 1.859 58.003 56.100 0.074 0.000 0.968 586 R CB -0.693 29.637 30.300 0.052 0.000 0.861 586 R HN 0.499 nan 8.270 nan 0.000 0.440 587 T N 0.547 115.214 114.554 0.189 0.000 2.708 587 T HA -0.201 4.144 4.350 -0.008 0.000 0.266 587 T C 1.465 176.392 174.700 0.378 0.000 1.037 587 T CA 1.411 63.688 62.100 0.296 0.000 1.146 587 T CB -0.450 68.581 68.868 0.272 0.000 0.865 587 T HN 0.304 nan 8.240 nan 0.000 0.435 588 Y N 2.111 122.521 120.300 0.184 0.000 2.114 588 Y HA -0.232 4.313 4.550 -0.007 0.000 0.282 588 Y C 2.477 178.382 175.900 0.008 0.000 1.165 588 Y CA 1.514 59.564 58.100 -0.083 0.000 1.148 588 Y CB -0.592 37.623 38.460 -0.409 0.000 0.972 588 Y HN 0.253 nan 8.280 nan 0.000 0.504 589 Q N -0.122 119.581 119.800 -0.161 0.000 2.124 589 Q HA -0.204 4.131 4.340 -0.008 0.000 0.202 589 Q C 2.112 178.003 176.000 -0.182 0.000 0.977 589 Q CA 1.881 57.526 55.803 -0.262 0.000 0.850 589 Q CB -0.170 28.519 28.738 -0.082 0.000 0.901 589 Q HN 0.662 nan 8.270 nan 0.000 0.429 590 E N -0.398 119.772 120.200 -0.051 0.000 2.106 590 E HA -0.164 4.181 4.350 -0.008 0.000 0.192 590 E C 1.455 177.959 176.600 -0.161 0.000 0.984 590 E CA 0.899 57.255 56.400 -0.073 0.000 0.806 590 E CB 0.034 29.728 29.700 -0.011 0.000 0.750 590 E HN 0.468 nan 8.360 nan 0.000 0.458 591 H N 0.117 119.138 119.070 -0.081 0.000 2.551 591 H HA 0.060 4.611 4.556 -0.008 0.000 0.266 591 H C 1.815 177.077 175.328 -0.110 0.000 0.964 591 H CA 0.719 56.740 56.048 -0.045 0.000 1.180 591 H CB 0.282 30.081 29.762 0.061 0.000 1.408 591 H HN 0.001 nan 8.280 nan 0.000 0.563 592 K N 1.023 121.315 120.400 -0.181 0.000 2.044 592 K HA -0.182 4.133 4.320 -0.008 0.000 0.210 592 K C 2.143 178.674 176.600 -0.115 0.000 1.049 592 K CA 1.500 57.618 56.287 -0.280 0.000 0.927 592 K CB -0.196 31.955 32.500 -0.583 0.000 0.713 592 K HN 0.249 nan 8.250 nan 0.000 0.443 593 A N 0.602 123.359 122.820 -0.105 0.000 2.067 593 A HA -0.084 4.232 4.320 -0.008 0.000 0.219 593 A C 1.851 179.419 177.584 -0.026 0.000 1.158 593 A CA 1.665 53.664 52.037 -0.065 0.000 0.661 593 A CB -0.347 18.613 19.000 -0.067 0.000 0.801 593 A HN 0.562 nan 8.150 nan 0.000 0.452 594 S N -1.807 113.889 115.700 -0.007 0.000 2.593 594 S HA 0.495 4.960 4.470 -0.008 0.000 0.236 594 S C 0.435 175.083 174.600 0.081 0.000 0.991 594 S CA -0.484 57.737 58.200 0.035 0.000 0.963 594 S CB -0.317 62.899 63.200 0.027 0.000 0.865 594 S HN 0.398 nan 8.310 nan 0.000 0.488 595 M N 1.586 121.231 119.600 0.076 0.000 2.267 595 M HA 0.323 4.798 4.480 -0.008 0.000 0.303 595 M C 0.437 176.791 176.300 0.089 0.000 1.164 595 M CA -0.610 54.759 55.300 0.114 0.000 1.060 595 M CB 0.347 33.020 32.600 0.122 0.000 1.455 595 M HN 0.354 nan 8.290 nan 0.000 0.483 596 H N 2.776 121.868 119.070 0.035 0.000 3.064 596 H HA -0.002 4.549 4.556 -0.008 0.000 0.329 596 H C -1.736 173.571 175.328 -0.034 0.000 1.020 596 H CA -0.328 55.711 56.048 -0.016 0.000 1.402 596 H CB 0.669 30.420 29.762 -0.018 0.000 1.379 596 H HN 0.241 nan 8.280 nan 0.000 0.594 597 P HA -0.179 nan 4.420 nan 0.000 0.217 597 P C 1.247 178.526 177.300 -0.035 0.000 1.150 597 P CA 1.015 64.000 63.100 -0.192 0.000 0.832 597 P CB 0.302 31.848 31.700 -0.257 0.000 0.787 598 V N 0.245 120.219 119.914 0.100 0.000 2.407 598 V HA -0.138 3.977 4.120 -0.008 0.000 0.245 598 V C 2.622 178.770 176.094 0.090 0.000 1.041 598 V CA 2.342 64.710 62.300 0.113 0.000 1.040 598 V CB -1.895 29.978 31.823 0.083 0.000 0.671 598 V HN 0.153 nan 8.190 nan 0.000 0.455 599 T N 0.769 115.399 114.554 0.127 0.000 2.788 599 T HA -0.157 4.189 4.350 -0.008 0.000 0.268 599 T C 2.093 176.832 174.700 0.065 0.000 1.044 599 T CA 1.597 63.713 62.100 0.026 0.000 1.139 599 T CB -0.414 68.462 68.868 0.013 0.000 0.867 599 T HN 0.550 nan 8.240 nan 0.000 0.454 600 A N 1.996 124.881 122.820 0.109 0.000 1.902 600 A HA -0.065 4.250 4.320 -0.008 0.000 0.217 600 A C 2.297 179.971 177.584 0.150 0.000 1.181 600 A CA 1.567 53.704 52.037 0.167 0.000 0.623 600 A CB -0.669 18.399 19.000 0.112 0.000 0.818 600 A HN 0.388 nan 8.150 nan 0.000 0.443 601 M N -0.290 119.359 119.600 0.081 0.000 2.086 601 M HA -0.078 4.397 4.480 -0.008 0.000 0.261 601 M C 1.990 178.298 176.300 0.014 0.000 1.067 601 M CA 1.777 57.112 55.300 0.058 0.000 1.116 601 M CB -0.772 31.858 32.600 0.050 0.000 1.348 601 M HN 0.423 nan 8.290 nan 0.000 0.407 602 L N -0.567 120.656 121.223 -0.000 0.000 2.109 602 L HA -0.160 4.176 4.340 -0.008 0.000 0.207 602 L C 2.408 179.223 176.870 -0.092 0.000 1.086 602 L CA 0.544 55.369 54.840 -0.025 0.000 0.760 602 L CB -0.619 41.435 42.059 -0.007 0.000 0.910 602 L HN 0.091 nan 8.230 nan 0.000 0.437 603 V N 0.184 120.005 119.914 -0.154 0.000 2.343 603 V HA -0.225 3.890 4.120 -0.008 0.000 0.247 603 V C 2.620 178.353 176.094 -0.602 0.000 1.051 603 V CA 2.007 64.082 62.300 -0.376 0.000 1.036 603 V CB -1.305 30.210 31.823 -0.512 0.000 0.654 603 V HN 0.577 nan 8.190 nan 0.000 0.451 604 G N -0.344 108.140 108.800 -0.526 0.000 2.418 604 G HA2 -0.244 3.711 3.960 -0.008 0.000 0.217 604 G HA3 -0.244 3.711 3.960 -0.008 0.000 0.217 604 G C 1.671 176.452 174.900 -0.199 0.000 1.158 604 G CA 0.822 45.679 45.100 -0.405 0.000 0.771 604 G HN 0.466 nan 8.290 nan 0.000 0.545 605 K N 0.215 120.549 120.400 -0.110 0.000 2.057 605 K HA -0.080 4.236 4.320 -0.008 0.000 0.207 605 K C 2.156 178.719 176.600 -0.062 0.000 1.049 605 K CA 1.314 57.571 56.287 -0.049 0.000 0.931 605 K CB -0.151 32.344 32.500 -0.009 0.000 0.714 605 K HN 0.127 nan 8.250 nan 0.000 0.440 606 D N 0.922 121.265 120.400 -0.096 0.000 2.144 606 D HA -0.124 4.511 4.640 -0.008 0.000 0.199 606 D C 1.673 177.927 176.300 -0.077 0.000 0.984 606 D CA 1.024 54.982 54.000 -0.070 0.000 0.834 606 D CB -0.000 40.753 40.800 -0.077 0.000 0.955 606 D HN 0.159 nan 8.370 nan 0.000 0.465 607 L N -0.163 120.966 121.223 -0.156 0.000 2.591 607 L HA 0.110 4.445 4.340 -0.008 0.000 0.228 607 L C 0.343 177.180 176.870 -0.054 0.000 1.133 607 L CA 0.086 54.851 54.840 -0.125 0.000 0.880 607 L CB -0.134 41.766 42.059 -0.266 0.000 1.033 607 L HN -0.024 nan 8.230 nan 0.000 0.450 608 K N 0.029 120.402 120.400 -0.045 0.000 3.071 608 K HA -0.151 4.164 4.320 -0.008 0.000 0.265 608 K C -0.532 176.072 176.600 0.006 0.000 1.060 608 K CA 0.076 56.360 56.287 -0.005 0.000 0.767 608 K CB -1.818 30.695 32.500 0.022 0.000 1.241 608 K HN 0.081 nan 8.250 nan 0.000 0.486 609 V N 2.361 122.265 119.914 -0.017 0.000 2.304 609 V HA 0.107 4.222 4.120 -0.008 0.000 0.278 609 V C 0.405 176.546 176.094 0.078 0.000 1.018 609 V CA -0.765 61.558 62.300 0.038 0.000 0.814 609 V CB 1.222 33.089 31.823 0.072 0.000 1.021 609 V HN 0.320 nan 8.190 nan 0.000 0.440 610 D N 0.000 120.442 120.400 0.070 0.000 6.856 610 D HA 0.000 4.635 4.640 -0.008 0.000 0.175 610 D CA 0.000 54.041 54.000 0.069 0.000 0.868 610 D CB 0.000 40.828 40.800 0.047 0.000 0.688 610 D HN 0.000 nan 8.370 nan 0.000 0.683