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 1ikq_1_A DATA FIRST_RESID 2 DATA SEQUENCE EEAFDLWNEc AKAcVLDLKD GVRSSRMSVD PAIADTNGQG VLHYSMVLEG DATA SEQUENCE GNDALKLAID NALSITSDGL TIRLEGGVEP NKPVRYSYTR QARGSWSLNW DATA SEQUENCE LVPIGHEKPS NIKVFIHELN AGNQLSHMSP IYTIEMGDEL LAKLARDATF DATA SEQUENCE FVRAHESNEM QPTLAISHAG VSVVMAQXXX XXXKRWSEWA SGKVLcLLDP DATA SEQUENCE LDGVYNYLAQ QRcNLDDTWE GKIYRVLAGN PAKHDLDIKP TVISHRLHFP DATA SEQUENCE EGGSLAALTA HQAcHLPLET FTRHRQPRGW EQLEQcGYPV QRLVALYLAA DATA SEQUENCE RLSWNQVDQV IRNALASPGS GGDLGEAIRE QPEQARLALT LAAAESERFV DATA SEQUENCE RQGTGNDEAG AANADVVSLT cPVAAGEcAG PADSGDALLE RNYPTGAEFL DATA SEQUENCE GDGGDVSFST RGTQNWTVER LLQAHRQLEE RGYVFVGYHG TFLEAAQSIV DATA SEQUENCE FGGVRARSQD LDAIWRGFYI AGDPALAYGY AQDQEPDARG RIRNGALLRV DATA SEQUENCE YVPRSSLPGF YRTSLTLAAP EAAGEVERLI GHPLPLRLDA ITGPEEEGGR DATA SEQUENCE LETILGWPLA ERTVVIPSAI PTDPRNVGGD LDPSSIPDKE QAISALPDYA DATA SEQUENCE SQPGK 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 2 E HA 0.000 nan 4.350 nan 0.000 0.291 2 E C 0.000 176.635 176.600 0.058 0.000 1.382 2 E CA 0.000 56.425 56.400 0.042 0.000 0.976 2 E CB 0.000 29.719 29.700 0.031 0.000 0.812 3 E N 1.671 121.910 120.200 0.065 0.000 2.230 3 E HA 0.235 4.583 4.350 -0.003 0.000 0.192 3 E C 0.767 177.454 176.600 0.144 0.000 0.987 3 E CA 0.603 57.056 56.400 0.089 0.000 0.841 3 E CB 0.431 30.179 29.700 0.080 0.000 0.783 3 E HN 0.344 nan 8.360 nan 0.000 0.481 4 A N 1.273 124.161 122.820 0.114 0.000 2.287 4 A HA 0.517 4.835 4.320 -0.003 0.000 0.273 4 A C -0.216 177.503 177.584 0.226 0.000 1.091 4 A CA -0.314 51.789 52.037 0.109 0.000 0.817 4 A CB 0.085 19.089 19.000 0.008 0.000 1.069 4 A HN 0.243 nan 8.150 nan 0.000 0.492 5 F N -1.337 118.592 119.950 -0.036 0.000 2.741 5 F HA 0.608 5.133 4.527 -0.003 0.000 0.313 5 F C -1.198 174.572 175.800 -0.049 0.000 1.153 5 F CA -1.143 56.841 58.000 -0.027 0.000 0.931 5 F CB 1.506 40.500 39.000 -0.011 0.000 1.335 5 F HN 0.387 nan 8.300 nan 0.000 0.460 6 D N 2.567 122.961 120.400 -0.009 0.000 2.477 6 D HA 0.179 4.818 4.640 -0.003 0.000 0.239 6 D C 0.699 176.956 176.300 -0.071 0.000 1.102 6 D CA -0.257 53.650 54.000 -0.155 0.000 0.901 6 D CB 1.531 42.312 40.800 -0.032 0.000 1.026 6 D HN 0.739 nan 8.370 nan 0.000 0.515 7 L N 4.781 125.792 121.223 -0.353 0.000 1.997 7 L HA -0.146 4.192 4.340 -0.003 0.000 0.216 7 L C 1.564 178.451 176.870 0.028 0.000 1.074 7 L CA 1.836 56.593 54.840 -0.139 0.000 0.763 7 L CB -0.458 41.289 42.059 -0.520 0.000 0.890 7 L HN 0.493 nan 8.230 nan 0.000 0.434 8 W N -0.322 120.956 121.300 -0.037 0.000 2.937 8 W HA 0.027 4.685 4.660 -0.003 0.000 0.245 8 W C 2.252 178.758 176.519 -0.021 0.000 1.306 8 W CA 0.551 57.874 57.345 -0.036 0.000 1.470 8 W CB -1.249 28.181 29.460 -0.051 0.000 1.132 8 W HN 0.444 nan 8.180 nan 0.000 0.675 9 N N -0.051 118.756 118.700 0.178 0.000 2.511 9 N HA -0.077 4.661 4.740 -0.003 0.000 0.190 9 N C 1.343 176.908 175.510 0.091 0.000 1.037 9 N CA 0.590 53.708 53.050 0.112 0.000 0.895 9 N CB 0.225 38.761 38.487 0.081 0.000 1.149 9 N HN 0.066 nan 8.380 nan 0.000 0.437 10 E N 0.143 120.408 120.200 0.109 0.000 2.152 10 E HA -0.016 4.332 4.350 -0.003 0.000 0.192 10 E C 0.997 177.646 176.600 0.082 0.000 0.983 10 E CA 0.758 57.217 56.400 0.099 0.000 0.818 10 E CB 0.197 29.983 29.700 0.143 0.000 0.758 10 E HN 0.391 nan 8.360 nan 0.000 0.467 11 c N 0.298 118.966 118.600 0.114 0.000 2.974 11 c HA 0.437 5.005 4.570 -0.003 0.000 0.282 11 c C 2.242 176.361 174.090 0.048 0.000 1.292 11 c CA -0.352 56.025 56.329 0.080 0.000 1.710 11 c CB -0.584 42.001 42.510 0.125 0.000 2.036 11 c HN 0.425 nan 8.230 nan 0.000 0.629 12 A N 1.785 124.635 122.820 0.051 0.000 1.902 12 A HA -0.161 4.157 4.320 -0.003 0.000 0.217 12 A C 2.179 179.691 177.584 -0.121 0.000 1.181 12 A CA 1.628 53.669 52.037 0.008 0.000 0.623 12 A CB -0.149 18.862 19.000 0.020 0.000 0.818 12 A HN 0.675 nan 8.150 nan 0.000 0.443 13 K N -1.914 118.410 120.400 -0.126 0.000 2.159 13 K HA 0.507 4.825 4.320 -0.003 0.000 0.210 13 K C 0.214 176.688 176.600 -0.210 0.000 1.026 13 K CA 0.819 56.971 56.287 -0.225 0.000 0.959 13 K CB 0.259 32.684 32.500 -0.125 0.000 0.890 13 K HN 0.401 nan 8.250 nan 0.000 0.459 14 A N 0.680 123.441 122.820 -0.099 0.000 2.565 14 A HA 0.479 4.797 4.320 -0.003 0.000 0.298 14 A C -1.230 176.336 177.584 -0.030 0.000 1.062 14 A CA -0.985 51.014 52.037 -0.064 0.000 0.723 14 A CB 0.604 19.568 19.000 -0.060 0.000 1.282 14 A HN 0.466 nan 8.150 nan 0.000 0.400 15 c N 0.157 118.744 118.600 -0.022 0.000 2.994 15 c HA 0.922 5.490 4.570 -0.003 0.000 0.305 15 c C -1.008 173.057 174.090 -0.043 0.000 1.251 15 c CA -0.773 55.542 56.329 -0.024 0.000 1.478 15 c CB 0.937 43.442 42.510 -0.009 0.000 1.922 15 c HN 1.084 nan 8.230 nan 0.000 0.472 16 V N 3.024 122.905 119.914 -0.055 0.000 2.409 16 V HA 0.429 4.548 4.120 -0.003 0.000 0.290 16 V C -0.263 175.772 176.094 -0.098 0.000 1.017 16 V CA -0.187 62.075 62.300 -0.064 0.000 0.841 16 V CB 1.243 33.041 31.823 -0.041 0.000 1.003 16 V HN 0.831 nan 8.190 nan 0.000 0.426 17 L N 3.510 124.646 121.223 -0.144 0.000 2.275 17 L HA 0.505 4.843 4.340 -0.003 0.000 0.288 17 L C 0.024 176.811 176.870 -0.138 0.000 1.046 17 L CA -0.446 54.268 54.840 -0.210 0.000 0.805 17 L CB 1.313 43.145 42.059 -0.379 0.000 1.193 17 L HN 0.563 nan 8.230 nan 0.000 0.426 18 D N 3.267 123.599 120.400 -0.112 0.000 2.343 18 D HA 0.227 4.866 4.640 -0.003 0.000 0.255 18 D C 0.430 176.690 176.300 -0.067 0.000 1.187 18 D CA 0.010 53.969 54.000 -0.069 0.000 0.875 18 D CB 1.007 41.779 40.800 -0.047 0.000 1.136 18 D HN 0.396 nan 8.370 nan 0.000 0.469 19 L N 3.821 125.015 121.223 -0.048 0.000 2.766 19 L HA 0.138 4.476 4.340 -0.003 0.000 0.242 19 L C 2.132 178.992 176.870 -0.017 0.000 1.136 19 L CA -0.258 54.562 54.840 -0.033 0.000 0.933 19 L CB -0.122 41.920 42.059 -0.029 0.000 1.241 19 L HN 0.464 nan 8.230 nan 0.000 0.522 20 K N -0.519 119.871 120.400 -0.016 0.000 2.209 20 K HA -0.131 4.187 4.320 -0.003 0.000 0.204 20 K C 0.415 177.011 176.600 -0.006 0.000 1.048 20 K CA 1.398 57.678 56.287 -0.010 0.000 0.940 20 K CB -0.010 32.484 32.500 -0.011 0.000 0.729 20 K HN 0.155 nan 8.250 nan 0.000 0.451 21 D N 0.945 121.342 120.400 -0.005 0.000 2.368 21 D HA 0.194 4.832 4.640 -0.003 0.000 0.218 21 D C 0.540 176.843 176.300 0.006 0.000 1.112 21 D CA 0.782 54.783 54.000 0.001 0.000 0.834 21 D CB 0.954 41.756 40.800 0.003 0.000 0.953 21 D HN 0.504 nan 8.370 nan 0.000 0.505 22 G N -0.030 108.773 108.800 0.006 0.000 2.384 22 G HA2 -0.161 3.798 3.960 -0.003 0.000 0.668 22 G HA3 -0.161 3.798 3.960 -0.003 0.000 0.668 22 G C -0.710 174.202 174.900 0.021 0.000 1.280 22 G CA -0.524 44.583 45.100 0.012 0.000 0.992 22 G HN 0.130 nan 8.290 nan 0.000 0.512 23 V N 1.214 121.147 119.914 0.032 0.000 2.694 23 V HA 0.456 4.574 4.120 -0.003 0.000 0.306 23 V C 0.417 176.571 176.094 0.099 0.000 1.054 23 V CA 0.238 62.575 62.300 0.062 0.000 1.161 23 V CB 0.504 32.373 31.823 0.078 0.000 0.916 23 V HN 0.784 nan 8.190 nan 0.000 0.490 24 R N 4.528 125.095 120.500 0.112 0.000 2.589 24 R HA 0.663 5.002 4.340 -0.003 0.000 0.293 24 R C -0.432 176.046 176.300 0.297 0.000 0.963 24 R CA -0.296 55.911 56.100 0.178 0.000 0.905 24 R CB 1.770 32.087 30.300 0.029 0.000 1.144 24 R HN 0.926 nan 8.270 nan 0.000 0.459 25 S N -0.887 114.990 115.700 0.294 0.000 2.569 25 S HA 0.657 5.125 4.470 -0.003 0.000 0.280 25 S C -0.887 173.487 174.600 -0.377 0.000 1.111 25 S CA -0.753 57.398 58.200 -0.082 0.000 0.887 25 S CB 2.304 65.345 63.200 -0.265 0.000 1.095 25 S HN 0.423 nan 8.310 nan 0.000 0.476 26 S N 0.859 116.160 115.700 -0.665 0.000 2.575 26 S HA 0.508 4.976 4.470 -0.003 0.000 0.278 26 S C -0.970 173.295 174.600 -0.558 0.000 1.139 26 S CA -0.781 56.924 58.200 -0.825 0.000 0.954 26 S CB 1.017 63.352 63.200 -1.442 0.000 1.054 26 S HN 0.737 nan 8.310 nan 0.000 0.483 27 R N 3.296 123.534 120.500 -0.435 0.000 2.438 27 R HA 0.365 4.703 4.340 -0.003 0.000 0.287 27 R C -0.461 175.596 176.300 -0.406 0.000 1.077 27 R CA 0.060 55.963 56.100 -0.329 0.000 1.034 27 R CB 0.717 30.895 30.300 -0.204 0.000 0.993 27 R HN 0.621 nan 8.270 nan 0.000 0.459 28 M N 2.091 121.483 119.600 -0.347 0.000 2.036 28 M HA 0.223 4.701 4.480 -0.003 0.000 0.337 28 M C -0.771 175.522 176.300 -0.011 0.000 1.012 28 M CA -0.152 54.863 55.300 -0.474 0.000 0.962 28 M CB 1.797 34.177 32.600 -0.368 0.000 1.423 28 M HN 0.412 nan 8.290 nan 0.000 0.405 29 S N 2.354 118.128 115.700 0.123 0.000 2.454 29 S HA 0.745 5.214 4.470 -0.003 0.000 0.306 29 S C -0.338 174.466 174.600 0.340 0.000 1.100 29 S CA -0.807 57.520 58.200 0.212 0.000 1.087 29 S CB 2.105 65.371 63.200 0.110 0.000 1.019 29 S HN 0.448 nan 8.310 nan 0.000 0.480 30 V N 2.119 122.186 119.914 0.255 0.000 2.769 30 V HA 0.342 4.460 4.120 -0.003 0.000 0.312 30 V C -0.079 176.079 176.094 0.107 0.000 1.061 30 V CA -1.042 61.363 62.300 0.175 0.000 0.931 30 V CB 1.988 33.911 31.823 0.168 0.000 1.010 30 V HN 0.869 nan 8.190 nan 0.000 0.433 31 D N 6.066 126.504 120.400 0.063 0.000 2.520 31 D HA 0.000 4.638 4.640 -0.003 0.000 0.243 31 D C -1.136 175.193 176.300 0.048 0.000 1.160 31 D CA -0.973 53.054 54.000 0.045 0.000 0.877 31 D CB 1.670 42.482 40.800 0.021 0.000 1.150 31 D HN 0.309 nan 8.370 nan 0.000 0.494 32 P HA -0.177 nan 4.420 nan 0.000 0.220 32 P C 0.944 178.267 177.300 0.038 0.000 1.144 32 P CA 0.931 64.061 63.100 0.049 0.000 0.800 32 P CB 0.135 31.862 31.700 0.046 0.000 0.772 33 A N -0.296 122.541 122.820 0.028 0.000 2.067 33 A HA -0.098 4.220 4.320 -0.003 0.000 0.219 33 A C 2.285 179.876 177.584 0.012 0.000 1.158 33 A CA 0.898 52.946 52.037 0.019 0.000 0.661 33 A CB -1.268 17.739 19.000 0.012 0.000 0.801 33 A HN 0.170 nan 8.150 nan 0.000 0.452 34 I N -0.599 119.981 120.570 0.017 0.000 2.277 34 I HA -0.176 3.993 4.170 -0.003 0.000 0.243 34 I C 2.867 178.996 176.117 0.020 0.000 1.094 34 I CA 0.999 62.307 61.300 0.015 0.000 1.393 34 I CB -0.360 37.650 38.000 0.017 0.000 1.078 34 I HN 0.310 nan 8.210 nan 0.000 0.417 35 A N -0.235 122.607 122.820 0.037 0.000 2.067 35 A HA -0.158 4.160 4.320 -0.003 0.000 0.219 35 A C 1.441 179.026 177.584 0.001 0.000 1.158 35 A CA 1.408 53.468 52.037 0.039 0.000 0.661 35 A CB -0.342 18.697 19.000 0.065 0.000 0.801 35 A HN 0.353 nan 8.150 nan 0.000 0.452 36 D N -0.129 120.271 120.400 -0.000 0.000 2.491 36 D HA 0.088 4.726 4.640 -0.003 0.000 0.228 36 D C 0.373 176.640 176.300 -0.055 0.000 1.183 36 D CA 0.177 54.170 54.000 -0.013 0.000 0.827 36 D CB 0.027 40.849 40.800 0.037 0.000 0.989 36 D HN 0.286 nan 8.370 nan 0.000 0.494 37 T N -0.721 113.781 114.554 -0.087 0.000 2.900 37 T HA 0.104 4.453 4.350 -0.003 0.000 0.307 37 T C 1.408 176.004 174.700 -0.174 0.000 1.065 37 T CA 0.510 62.559 62.100 -0.086 0.000 1.105 37 T CB 0.727 69.559 68.868 -0.060 0.000 0.979 37 T HN 0.274 nan 8.240 nan 0.000 0.544 38 N N 1.786 120.449 118.700 -0.060 0.000 2.422 38 N HA 0.275 5.014 4.740 -0.003 0.000 0.181 38 N C 1.150 176.658 175.510 -0.004 0.000 1.080 38 N CA 0.575 53.639 53.050 0.024 0.000 0.893 38 N CB -0.161 38.375 38.487 0.082 0.000 0.973 38 N HN 0.812 nan 8.380 nan 0.000 0.456 39 G N -0.611 108.151 108.800 -0.063 0.000 3.075 39 G HA2 0.488 4.446 3.960 -0.003 0.000 0.156 39 G HA3 0.488 4.446 3.960 -0.003 0.000 0.156 39 G C -0.316 174.534 174.900 -0.084 0.000 1.403 39 G CA 0.224 45.271 45.100 -0.088 0.000 1.033 39 G HN 0.684 nan 8.290 nan 0.000 0.589 40 Q N -1.652 118.060 119.800 -0.147 0.000 2.389 40 Q HA 0.686 5.025 4.340 -0.003 0.000 0.277 40 Q C -0.740 175.234 176.000 -0.042 0.000 1.082 40 Q CA -1.050 54.710 55.803 -0.072 0.000 0.810 40 Q CB 2.352 30.900 28.738 -0.317 0.000 1.374 40 Q HN 0.949 nan 8.270 nan 0.000 0.422 41 G N 0.152 109.109 108.800 0.261 0.000 2.600 41 G HA2 0.568 4.527 3.960 -0.003 0.000 0.293 41 G HA3 0.568 4.527 3.960 -0.003 0.000 0.293 41 G C -1.732 173.457 174.900 0.481 0.000 1.408 41 G CA -0.628 44.690 45.100 0.363 0.000 0.782 41 G HN 0.490 nan 8.290 nan 0.000 0.482 42 V N 0.441 120.584 119.914 0.382 0.000 2.623 42 V HA 0.463 4.581 4.120 -0.003 0.000 0.304 42 V C -0.362 175.867 176.094 0.225 0.000 1.054 42 V CA -0.532 61.967 62.300 0.333 0.000 0.882 42 V CB 1.596 33.632 31.823 0.356 0.000 1.002 42 V HN 0.646 nan 8.190 nan 0.000 0.424 43 L N 4.466 125.807 121.223 0.195 0.000 2.276 43 L HA 0.499 4.837 4.340 -0.003 0.000 0.286 43 L C 0.044 176.958 176.870 0.072 0.000 1.061 43 L CA -0.267 54.598 54.840 0.042 0.000 0.807 43 L CB 0.712 42.790 42.059 0.031 0.000 1.177 43 L HN 0.707 nan 8.230 nan 0.000 0.429 44 H N 3.825 122.772 119.070 -0.206 0.000 2.638 44 H HA 0.317 4.872 4.556 -0.003 0.000 0.303 44 H C -1.339 173.727 175.328 -0.438 0.000 1.034 44 H CA -0.769 55.166 56.048 -0.188 0.000 1.225 44 H CB 0.651 30.361 29.762 -0.086 0.000 1.394 44 H HN 0.454 nan 8.280 nan 0.000 0.477 45 Y N 3.094 123.138 120.300 -0.426 0.000 2.320 45 Y HA 0.264 4.812 4.550 -0.003 0.000 0.334 45 Y C 0.296 175.755 175.900 -0.735 0.000 1.055 45 Y CA -0.228 57.357 58.100 -0.857 0.000 1.143 45 Y CB 1.722 39.018 38.460 -1.940 0.000 1.193 45 Y HN 0.606 nan 8.280 nan 0.000 0.477 46 S N 4.014 119.475 115.700 -0.399 0.000 2.596 46 S HA 0.897 5.365 4.470 -0.003 0.000 0.270 46 S C -1.000 173.559 174.600 -0.067 0.000 1.155 46 S CA -1.047 57.026 58.200 -0.212 0.000 0.827 46 S CB 2.043 65.077 63.200 -0.276 0.000 1.130 46 S HN 0.759 nan 8.310 nan 0.000 0.467 47 M N -0.104 119.510 119.600 0.024 0.000 2.605 47 M HA 0.652 5.131 4.480 -0.003 0.000 0.281 47 M C -2.223 174.108 176.300 0.051 0.000 1.166 47 M CA -0.964 54.367 55.300 0.051 0.000 0.875 47 M CB 1.508 34.127 32.600 0.033 0.000 1.732 47 M HN 0.395 nan 8.290 nan 0.000 0.504 48 V N 3.219 123.173 119.914 0.067 0.000 2.394 48 V HA 0.519 4.637 4.120 -0.003 0.000 0.282 48 V C -0.371 175.674 176.094 -0.082 0.000 1.031 48 V CA -0.532 61.791 62.300 0.038 0.000 0.881 48 V CB 1.488 33.412 31.823 0.167 0.000 0.982 48 V HN 0.719 nan 8.190 nan 0.000 0.451 49 L N 5.374 126.423 121.223 -0.289 0.000 2.272 49 L HA 0.567 4.905 4.340 -0.003 0.000 0.289 49 L C 0.481 177.176 176.870 -0.291 0.000 1.032 49 L CA -0.163 54.444 54.840 -0.388 0.000 0.810 49 L CB 1.300 42.861 42.059 -0.830 0.000 1.205 49 L HN 0.709 nan 8.230 nan 0.000 0.422 50 E N 2.083 122.205 120.200 -0.129 0.000 3.834 50 E HA 0.305 4.654 4.350 -0.003 0.000 0.318 50 E C 0.473 177.062 176.600 -0.018 0.000 0.680 50 E CA -0.859 55.515 56.400 -0.044 0.000 1.860 50 E CB 0.095 29.793 29.700 -0.003 0.000 2.061 50 E HN 0.631 nan 8.360 nan 0.000 0.447 51 G N -0.396 108.406 108.800 0.003 0.000 2.178 51 G HA2 0.244 4.203 3.960 -0.003 0.000 0.244 51 G HA3 0.244 4.203 3.960 -0.003 0.000 0.244 51 G C 0.754 175.659 174.900 0.008 0.000 1.213 51 G CA 0.583 45.691 45.100 0.013 0.000 0.912 51 G HN 0.657 nan 8.290 nan 0.000 0.474 52 G N 2.368 111.185 108.800 0.028 0.000 2.176 52 G HA2 -0.317 3.641 3.960 -0.003 0.000 0.232 52 G HA3 -0.317 3.641 3.960 -0.003 0.000 0.232 52 G C 1.099 176.034 174.900 0.059 0.000 0.986 52 G CA 0.692 45.811 45.100 0.032 0.000 0.643 52 G HN 1.315 nan 8.290 nan 0.000 0.522 53 N N 1.648 120.390 118.700 0.070 0.000 2.571 53 N HA 0.063 4.801 4.740 -0.003 0.000 0.189 53 N C 1.122 176.817 175.510 0.307 0.000 1.154 53 N CA 1.446 54.577 53.050 0.134 0.000 0.907 53 N CB -0.159 38.323 38.487 -0.008 0.000 0.977 53 N HN 0.518 nan 8.380 nan 0.000 0.449 54 D N -1.173 119.351 120.400 0.207 0.000 2.368 54 D HA 0.249 4.887 4.640 -0.003 0.000 0.218 54 D C -0.317 176.062 176.300 0.133 0.000 1.112 54 D CA -0.455 53.656 54.000 0.184 0.000 0.834 54 D CB -0.068 40.813 40.800 0.134 0.000 0.953 54 D HN 0.249 nan 8.370 nan 0.000 0.505 55 A N 0.481 123.381 122.820 0.133 0.000 3.399 55 A HA 0.493 4.811 4.320 -0.003 0.000 0.262 55 A C -1.345 176.325 177.584 0.142 0.000 1.145 55 A CA -0.617 51.485 52.037 0.108 0.000 0.916 55 A CB -0.008 19.020 19.000 0.046 0.000 1.360 55 A HN 0.175 nan 8.150 nan 0.000 0.628 56 L N -0.346 120.990 121.223 0.189 0.000 2.434 56 L HA 0.699 5.037 4.340 -0.003 0.000 0.260 56 L C -1.133 175.808 176.870 0.118 0.000 0.983 56 L CA -0.203 54.730 54.840 0.154 0.000 0.820 56 L CB 2.029 44.176 42.059 0.147 0.000 1.361 56 L HN 0.255 nan 8.230 nan 0.000 0.410 57 K N 5.164 125.591 120.400 0.045 0.000 2.535 57 K HA 0.645 4.963 4.320 -0.003 0.000 0.253 57 K C -1.578 174.991 176.600 -0.053 0.000 0.953 57 K CA -0.467 55.792 56.287 -0.046 0.000 0.863 57 K CB 1.503 33.917 32.500 -0.142 0.000 1.111 57 K HN 0.522 nan 8.250 nan 0.000 0.431 58 L N 1.681 122.875 121.223 -0.048 0.000 2.322 58 L HA 0.882 5.221 4.340 -0.003 0.000 0.269 58 L C -0.370 176.428 176.870 -0.120 0.000 1.012 58 L CA -1.016 53.747 54.840 -0.128 0.000 0.815 58 L CB 1.918 43.945 42.059 -0.054 0.000 1.295 58 L HN 0.675 nan 8.230 nan 0.000 0.438 59 A N 1.870 124.593 122.820 -0.163 0.000 2.604 59 A HA 0.734 5.052 4.320 -0.003 0.000 0.295 59 A C -1.482 176.098 177.584 -0.007 0.000 1.067 59 A CA -0.439 51.555 52.037 -0.071 0.000 0.683 59 A CB 1.660 20.631 19.000 -0.047 0.000 1.281 59 A HN 0.439 nan 8.150 nan 0.000 0.407 60 I N 2.884 123.426 120.570 -0.048 0.000 2.359 60 I HA 0.329 4.498 4.170 -0.003 0.000 0.284 60 I C 0.097 176.239 176.117 0.041 0.000 1.018 60 I CA 0.469 61.746 61.300 -0.038 0.000 1.173 60 I CB -0.091 37.746 38.000 -0.271 0.000 1.326 60 I HN 0.847 nan 8.210 nan 0.000 0.462 61 D N 4.435 124.965 120.400 0.216 0.000 3.245 61 D HA -0.298 4.341 4.640 -0.003 0.000 0.196 61 D C 0.775 177.110 176.300 0.057 0.000 1.370 61 D CA 1.266 55.394 54.000 0.213 0.000 1.087 61 D CB -0.174 40.677 40.800 0.086 0.000 0.612 61 D HN 0.497 nan 8.370 nan 0.000 0.704 62 N N -0.078 118.612 118.700 -0.015 0.000 2.230 62 N HA 0.413 5.151 4.740 -0.003 0.000 0.202 62 N C 0.959 176.433 175.510 -0.060 0.000 1.119 62 N CA 0.744 53.754 53.050 -0.067 0.000 0.851 62 N CB 0.428 38.869 38.487 -0.076 0.000 0.990 62 N HN 0.379 nan 8.380 nan 0.000 0.497 63 A N -0.038 122.753 122.820 -0.049 0.000 1.968 63 A HA 0.084 4.403 4.320 -0.003 0.000 0.217 63 A C 0.633 178.169 177.584 -0.080 0.000 1.169 63 A CA 0.910 52.911 52.037 -0.059 0.000 0.638 63 A CB 0.092 19.062 19.000 -0.050 0.000 0.812 63 A HN 0.222 nan 8.150 nan 0.000 0.446 64 L N -0.848 120.309 121.223 -0.110 0.000 2.464 64 L HA 0.645 4.983 4.340 -0.003 0.000 0.266 64 L C -1.304 175.491 176.870 -0.126 0.000 0.965 64 L CA -0.113 54.646 54.840 -0.134 0.000 0.833 64 L CB 2.247 44.162 42.059 -0.239 0.000 1.296 64 L HN -0.058 nan 8.230 nan 0.000 0.405 65 S N 5.190 120.830 115.700 -0.100 0.000 2.538 65 S HA 0.828 5.296 4.470 -0.003 0.000 0.288 65 S C -0.918 173.641 174.600 -0.069 0.000 1.108 65 S CA -0.363 57.783 58.200 -0.091 0.000 0.971 65 S CB 1.572 64.712 63.200 -0.099 0.000 1.041 65 S HN 0.457 nan 8.310 nan 0.000 0.483 66 I N 1.925 122.471 120.570 -0.040 0.000 2.509 66 I HA 0.495 4.663 4.170 -0.003 0.000 0.293 66 I C -0.215 175.905 176.117 0.004 0.000 1.020 66 I CA -0.125 61.180 61.300 0.009 0.000 1.088 66 I CB 2.355 40.426 38.000 0.119 0.000 1.267 66 I HN 0.473 nan 8.210 nan 0.000 0.430 67 T N 3.374 117.922 114.554 -0.010 0.000 2.840 67 T HA 0.458 4.806 4.350 -0.003 0.000 0.287 67 T C -0.732 173.993 174.700 0.041 0.000 0.991 67 T CA -0.656 61.430 62.100 -0.023 0.000 0.964 67 T CB 1.299 70.103 68.868 -0.107 0.000 0.954 67 T HN 0.491 nan 8.240 nan 0.000 0.438 68 S N 2.237 118.013 115.700 0.127 0.000 2.552 68 S HA 0.438 4.906 4.470 -0.003 0.000 0.314 68 S C -0.094 174.604 174.600 0.163 0.000 1.099 68 S CA -0.785 57.506 58.200 0.152 0.000 1.070 68 S CB 0.658 64.075 63.200 0.361 0.000 0.998 68 S HN 0.785 nan 8.310 nan 0.000 0.474 69 D N 2.926 123.388 120.400 0.103 0.000 2.469 69 D HA 0.268 4.906 4.640 -0.003 0.000 0.215 69 D C 1.239 177.576 176.300 0.061 0.000 1.154 69 D CA 0.483 54.541 54.000 0.096 0.000 0.832 69 D CB -0.012 40.837 40.800 0.082 0.000 1.008 69 D HN 0.907 nan 8.370 nan 0.000 0.506 70 G N 0.573 109.410 108.800 0.062 0.000 2.254 70 G HA2 -0.292 3.666 3.960 -0.003 0.000 0.225 70 G HA3 -0.292 3.666 3.960 -0.003 0.000 0.225 70 G C 0.882 175.774 174.900 -0.012 0.000 1.003 70 G CA 0.361 45.487 45.100 0.045 0.000 0.622 70 G HN 0.365 nan 8.290 nan 0.000 0.507 71 L N 0.627 121.829 121.223 -0.035 0.000 2.445 71 L HA 0.363 4.701 4.340 -0.003 0.000 0.207 71 L C 1.537 178.329 176.870 -0.130 0.000 1.053 71 L CA 1.394 56.189 54.840 -0.074 0.000 0.841 71 L CB 0.206 42.233 42.059 -0.055 0.000 1.074 71 L HN 0.527 nan 8.230 nan 0.000 0.479 72 T N -2.251 112.235 114.554 -0.113 0.000 2.865 72 T HA 0.649 4.998 4.350 -0.003 0.000 0.294 72 T C -0.727 173.890 174.700 -0.137 0.000 1.119 72 T CA -0.525 61.484 62.100 -0.153 0.000 1.007 72 T CB 2.511 71.313 68.868 -0.109 0.000 1.225 72 T HN -0.061 nan 8.240 nan 0.000 0.515 73 I N 1.314 121.801 120.570 -0.139 0.000 2.439 73 I HA 0.407 4.576 4.170 -0.003 0.000 0.283 73 I C -0.080 175.982 176.117 -0.093 0.000 1.023 73 I CA -0.858 60.351 61.300 -0.151 0.000 1.100 73 I CB 1.696 39.511 38.000 -0.308 0.000 1.238 73 I HN 0.490 nan 8.210 nan 0.000 0.445 74 R N 6.588 127.041 120.500 -0.080 0.000 2.349 74 R HA 0.759 5.098 4.340 -0.003 0.000 0.299 74 R C -1.124 175.121 176.300 -0.092 0.000 1.027 74 R CA -0.577 55.470 56.100 -0.089 0.000 0.958 74 R CB 1.423 31.675 30.300 -0.080 0.000 1.047 74 R HN 0.482 nan 8.270 nan 0.000 0.468 75 L N 2.203 123.357 121.223 -0.114 0.000 2.386 75 L HA 0.543 4.881 4.340 -0.003 0.000 0.271 75 L C -0.337 176.491 176.870 -0.072 0.000 0.993 75 L CA -0.677 54.112 54.840 -0.084 0.000 0.819 75 L CB 2.008 44.001 42.059 -0.109 0.000 1.294 75 L HN 0.773 nan 8.230 nan 0.000 0.414 76 E N 1.592 121.752 120.200 -0.065 0.000 2.407 76 E HA 0.862 5.210 4.350 -0.003 0.000 0.279 76 E C -0.740 175.825 176.600 -0.058 0.000 1.012 76 E CA -0.739 55.613 56.400 -0.080 0.000 0.800 76 E CB 2.617 32.251 29.700 -0.110 0.000 1.276 76 E HN 0.702 nan 8.360 nan 0.000 0.452 77 G N -0.308 108.463 108.800 -0.049 0.000 2.398 77 G HA2 0.575 4.533 3.960 -0.003 0.000 0.251 77 G HA3 0.575 4.533 3.960 -0.003 0.000 0.251 77 G C -0.008 174.876 174.900 -0.028 0.000 1.277 77 G CA 0.089 45.163 45.100 -0.044 0.000 0.927 77 G HN 1.669 nan 8.290 nan 0.000 0.477 78 G N -2.691 106.091 108.800 -0.030 0.000 2.497 78 G HA2 0.341 4.300 3.960 -0.003 0.000 0.686 78 G HA3 0.341 4.300 3.960 -0.003 0.000 0.686 78 G C 0.604 175.465 174.900 -0.065 0.000 1.288 78 G CA 0.554 45.633 45.100 -0.034 0.000 0.899 78 G HN 1.953 nan 8.290 nan 0.000 0.608 79 V N 0.137 119.985 119.914 -0.111 0.000 2.649 79 V HA 0.187 4.305 4.120 -0.003 0.000 0.248 79 V C 1.346 177.360 176.094 -0.135 0.000 1.054 79 V CA 2.562 64.763 62.300 -0.165 0.000 1.073 79 V CB -0.534 31.086 31.823 -0.338 0.000 0.699 79 V HN 0.652 nan 8.190 nan 0.000 0.463 80 E N 2.403 122.542 120.200 -0.101 0.000 2.360 80 E HA 0.205 4.554 4.350 -0.003 0.000 0.269 80 E C -1.990 174.606 176.600 -0.008 0.000 1.022 80 E CA -1.249 55.140 56.400 -0.019 0.000 0.887 80 E CB 0.530 30.251 29.700 0.035 0.000 0.990 80 E HN 0.482 nan 8.360 nan 0.000 0.426 81 P HA 0.060 nan 4.420 nan 0.000 0.302 81 P C -0.102 177.201 177.300 0.005 0.000 1.301 81 P CA -0.374 62.727 63.100 0.002 0.000 0.745 81 P CB 0.562 32.266 31.700 0.007 0.000 1.331 82 N N -3.280 115.421 118.700 0.002 0.000 1.243 82 N HA -0.208 4.530 4.740 -0.003 0.000 0.121 82 N C 0.333 175.844 175.510 0.002 0.000 0.850 82 N CA 1.631 54.684 53.050 0.004 0.000 0.883 82 N CB -2.019 36.475 38.487 0.011 0.000 1.027 82 N HN 0.762 nan 8.380 nan 0.000 0.616 83 K N 3.437 123.844 120.400 0.011 0.000 2.436 83 K HA 0.275 4.593 4.320 -0.003 0.000 0.282 83 K C -1.720 174.893 176.600 0.021 0.000 1.044 83 K CA -0.440 55.858 56.287 0.018 0.000 1.028 83 K CB -0.705 31.818 32.500 0.040 0.000 0.919 83 K HN 0.418 nan 8.250 nan 0.000 0.474 84 P HA 0.302 nan 4.420 nan 0.000 0.282 84 P C -0.505 176.809 177.300 0.024 0.000 1.287 84 P CA -0.605 62.492 63.100 -0.005 0.000 0.792 84 P CB 0.663 32.340 31.700 -0.037 0.000 1.163 85 V N 1.565 121.483 119.914 0.008 0.000 2.555 85 V HA 0.216 4.335 4.120 -0.003 0.000 0.286 85 V C 1.019 176.983 176.094 -0.217 0.000 1.044 85 V CA 0.172 62.488 62.300 0.026 0.000 1.026 85 V CB -0.309 31.520 31.823 0.010 0.000 0.981 85 V HN 0.464 nan 8.190 nan 0.000 0.480 86 R N 3.775 123.920 120.500 -0.591 0.000 2.673 86 R HA 0.671 5.010 4.340 -0.003 0.000 0.281 86 R C -1.786 173.937 176.300 -0.962 0.000 0.991 86 R CA -0.726 54.982 56.100 -0.652 0.000 0.896 86 R CB 2.500 32.506 30.300 -0.490 0.000 1.201 86 R HN 0.669 nan 8.270 nan 0.000 0.457 87 Y N -0.808 119.315 120.300 -0.295 0.000 2.615 87 Y HA 0.447 4.995 4.550 -0.003 0.000 0.341 87 Y C -0.166 175.557 175.900 -0.295 0.000 1.089 87 Y CA -0.861 57.047 58.100 -0.320 0.000 1.049 87 Y CB 2.734 40.830 38.460 -0.606 0.000 1.296 87 Y HN 0.434 nan 8.280 nan 0.000 0.470 88 S N 1.064 116.750 115.700 -0.024 0.000 2.677 88 S HA 0.423 4.892 4.470 -0.003 0.000 0.283 88 S C -2.276 172.363 174.600 0.065 0.000 1.159 88 S CA -0.450 57.731 58.200 -0.032 0.000 1.001 88 S CB 0.447 63.629 63.200 -0.031 0.000 1.032 88 S HN 0.522 nan 8.310 nan 0.000 0.487 89 Y N 3.796 124.048 120.300 -0.080 0.000 2.331 89 Y HA 0.558 5.107 4.550 -0.002 0.000 0.338 89 Y C -0.037 175.831 175.900 -0.053 0.000 0.992 89 Y CA -0.418 57.684 58.100 0.004 0.000 1.121 89 Y CB 1.388 39.866 38.460 0.031 0.000 1.184 89 Y HN 0.545 nan 8.280 nan 0.000 0.469 90 T N 7.543 121.709 114.554 -0.646 0.000 2.749 90 T HA 0.317 4.666 4.350 -0.003 0.000 0.295 90 T C -0.028 174.100 174.700 -0.953 0.000 0.936 90 T CA -0.729 61.021 62.100 -0.583 0.000 1.060 90 T CB 0.007 68.687 68.868 -0.312 0.000 0.904 90 T HN 0.412 nan 8.240 nan 0.000 0.500 91 R N 3.063 123.185 120.500 -0.631 0.000 2.570 91 R HA 0.054 4.393 4.340 -0.003 0.000 0.277 91 R C 0.990 177.071 176.300 -0.366 0.000 1.039 91 R CA 0.335 56.150 56.100 -0.477 0.000 1.065 91 R CB 0.319 30.469 30.300 -0.251 0.000 0.964 91 R HN 0.763 nan 8.270 nan 0.000 0.428 92 Q N 0.247 119.840 119.800 -0.345 0.000 2.247 92 Q HA 0.306 4.644 4.340 -0.003 0.000 0.211 92 Q C -0.170 175.603 176.000 -0.378 0.000 0.861 92 Q CA 0.041 55.613 55.803 -0.385 0.000 0.949 92 Q CB 1.178 29.576 28.738 -0.565 0.000 1.115 92 Q HN 0.652 nan 8.270 nan 0.000 0.507 93 A N 0.653 123.332 122.820 -0.235 0.000 2.602 93 A HA 0.723 5.042 4.320 -0.003 0.000 0.290 93 A C -1.306 176.270 177.584 -0.013 0.000 1.114 93 A CA -0.826 51.154 52.037 -0.095 0.000 0.683 93 A CB 1.366 20.347 19.000 -0.031 0.000 1.281 93 A HN 0.086 nan 8.150 nan 0.000 0.416 94 R N -0.477 120.044 120.500 0.034 0.000 2.720 94 R HA 0.780 5.118 4.340 -0.003 0.000 0.272 94 R C 0.440 176.804 176.300 0.107 0.000 0.991 94 R CA 0.199 56.338 56.100 0.064 0.000 1.010 94 R CB 1.728 32.056 30.300 0.047 0.000 1.141 94 R HN 2.079 nan 8.270 nan 0.000 0.494 95 G N 0.282 109.165 108.800 0.139 0.000 2.384 95 G HA2 -0.193 3.765 3.960 -0.003 0.000 0.204 95 G HA3 -0.193 3.765 3.960 -0.003 0.000 0.204 95 G C -0.938 174.092 174.900 0.217 0.000 1.237 95 G CA -0.829 44.361 45.100 0.149 0.000 1.060 95 G HN 0.500 nan 8.290 nan 0.000 0.514 96 S N 1.096 116.901 115.700 0.176 0.000 2.592 96 S HA 0.661 5.129 4.470 -0.003 0.000 0.271 96 S C -0.101 174.675 174.600 0.293 0.000 1.326 96 S CA 0.635 58.930 58.200 0.158 0.000 1.024 96 S CB 0.288 63.546 63.200 0.096 0.000 0.921 96 S HN 1.057 nan 8.310 nan 0.000 0.527 97 W N 0.013 121.374 121.300 0.102 0.000 3.107 97 W HA 0.630 5.288 4.660 -0.003 0.000 0.331 97 W C -0.966 175.619 176.519 0.110 0.000 1.204 97 W CA -0.934 56.476 57.345 0.109 0.000 1.184 97 W CB 1.104 30.644 29.460 0.134 0.000 1.421 97 W HN 0.538 nan 8.180 nan 0.000 0.544 98 S N 2.392 118.327 115.700 0.391 0.000 2.442 98 S HA 0.502 4.970 4.470 -0.003 0.000 0.297 98 S C -1.021 173.774 174.600 0.325 0.000 1.131 98 S CA -0.522 57.822 58.200 0.240 0.000 1.092 98 S CB 0.684 64.012 63.200 0.213 0.000 0.998 98 S HN 0.436 nan 8.310 nan 0.000 0.478 99 L N 6.109 127.470 121.223 0.231 0.000 2.275 99 L HA 0.609 4.947 4.340 -0.003 0.000 0.288 99 L C -0.718 176.240 176.870 0.146 0.000 1.046 99 L CA 0.152 55.184 54.840 0.320 0.000 0.805 99 L CB 0.800 43.079 42.059 0.367 0.000 1.193 99 L HN 0.703 nan 8.230 nan 0.000 0.426 100 N N 5.022 123.698 118.700 -0.041 0.000 2.260 100 N HA 0.523 5.261 4.740 -0.003 0.000 0.293 100 N C -1.954 173.506 175.510 -0.084 0.000 1.058 100 N CA -0.322 52.555 53.050 -0.288 0.000 0.824 100 N CB 2.073 39.807 38.487 -1.254 0.000 1.551 100 N HN 0.710 nan 8.380 nan 0.000 0.475 101 W N 1.540 122.794 121.300 -0.077 0.000 3.138 101 W HA 0.667 5.325 4.660 -0.002 0.000 0.331 101 W C -2.109 174.541 176.519 0.217 0.000 1.166 101 W CA -0.901 56.454 57.345 0.018 0.000 1.212 101 W CB 0.661 30.149 29.460 0.046 0.000 1.399 101 W HN 0.162 nan 8.180 nan 0.000 0.514 102 L N 4.038 125.468 121.223 0.345 0.000 2.313 102 L HA 0.709 5.047 4.340 -0.003 0.000 0.283 102 L C -0.584 176.631 176.870 0.575 0.000 1.013 102 L CA -1.449 53.624 54.840 0.389 0.000 0.816 102 L CB 1.539 43.781 42.059 0.305 0.000 1.236 102 L HN 0.371 nan 8.230 nan 0.000 0.419 103 V N 4.430 124.657 119.914 0.522 0.000 2.378 103 V HA 0.391 4.509 4.120 -0.003 0.000 0.288 103 V C -2.049 174.210 176.094 0.275 0.000 1.016 103 V CA -1.548 61.010 62.300 0.430 0.000 0.840 103 V CB 1.820 33.910 31.823 0.443 0.000 0.994 103 V HN 0.594 nan 8.190 nan 0.000 0.431 104 P HA 0.486 nan 4.420 nan 0.000 0.278 104 P C -0.833 176.435 177.300 -0.054 0.000 1.238 104 P CA -0.210 62.762 63.100 -0.213 0.000 0.794 104 P CB 1.665 32.720 31.700 -1.076 0.000 0.955 105 I N -2.023 118.611 120.570 0.108 0.000 2.828 105 I HA 0.942 5.110 4.170 -0.003 0.000 0.302 105 I C -0.177 176.027 176.117 0.145 0.000 1.101 105 I CA -0.958 60.393 61.300 0.084 0.000 1.031 105 I CB 2.239 40.293 38.000 0.089 0.000 1.231 105 I HN 0.657 nan 8.210 nan 0.000 0.427 106 G N 2.197 111.004 108.800 0.011 0.000 2.340 106 G HA2 0.010 3.969 3.960 -0.003 0.000 0.527 106 G HA3 0.010 3.969 3.960 -0.003 0.000 0.527 106 G C -0.440 174.408 174.900 -0.088 0.000 1.381 106 G CA -0.598 44.488 45.100 -0.024 0.000 1.001 106 G HN 0.827 nan 8.290 nan 0.000 0.626 107 H N 0.071 119.192 119.070 0.085 0.000 2.512 107 H HA 0.110 4.664 4.556 -0.003 0.000 0.279 107 H C 1.383 176.732 175.328 0.035 0.000 0.999 107 H CA 1.572 57.647 56.048 0.045 0.000 1.283 107 H CB 0.673 30.452 29.762 0.029 0.000 1.421 107 H HN 0.627 nan 8.280 nan 0.000 0.554 108 E N 1.245 121.555 120.200 0.182 0.000 2.869 108 E HA 0.088 4.436 4.350 -0.003 0.000 0.207 108 E C 0.025 176.632 176.600 0.012 0.000 0.986 108 E CA -0.261 56.206 56.400 0.111 0.000 1.131 108 E CB 0.650 30.433 29.700 0.139 0.000 1.098 108 E HN 0.425 nan 8.360 nan 0.000 0.459 109 K N 0.351 120.660 120.400 -0.151 0.000 2.180 109 K HA 0.351 4.670 4.320 -0.003 0.000 0.251 109 K C -2.500 173.660 176.600 -0.733 0.000 1.014 109 K CA -1.515 54.328 56.287 -0.740 0.000 0.913 109 K CB 0.038 32.197 32.500 -0.568 0.000 1.008 109 K HN -0.279 nan 8.250 nan 0.000 0.490 110 P HA 0.003 nan 4.420 nan 0.000 0.272 110 P C -0.395 176.703 177.300 -0.336 0.000 1.230 110 P CA -0.473 62.274 63.100 -0.589 0.000 0.788 110 P CB 0.784 32.042 31.700 -0.738 0.000 0.949 111 S N -0.917 114.711 115.700 -0.119 0.000 2.583 111 S HA 0.186 4.655 4.470 -0.003 0.000 0.239 111 S C 0.197 174.819 174.600 0.037 0.000 0.966 111 S CA -0.470 57.709 58.200 -0.034 0.000 0.973 111 S CB -1.202 62.010 63.200 0.020 0.000 0.794 111 S HN 0.577 nan 8.310 nan 0.000 0.463 112 N N 0.823 119.581 118.700 0.097 0.000 2.509 112 N HA 0.687 5.425 4.740 -0.003 0.000 0.280 112 N C -0.671 175.045 175.510 0.343 0.000 1.306 112 N CA -1.254 51.912 53.050 0.195 0.000 0.782 112 N CB 1.064 39.681 38.487 0.216 0.000 1.493 112 N HN 0.324 nan 8.380 nan 0.000 0.498 113 I N -3.636 117.123 120.570 0.314 0.000 2.863 113 I HA 0.673 4.842 4.170 -0.003 0.000 0.311 113 I C -0.780 175.500 176.117 0.272 0.000 1.026 113 I CA -1.050 60.490 61.300 0.401 0.000 1.077 113 I CB 1.651 39.846 38.000 0.327 0.000 1.262 113 I HN 0.182 nan 8.210 nan 0.000 0.461 114 K N 3.123 123.631 120.400 0.179 0.000 2.203 114 K HA 0.726 5.044 4.320 -0.003 0.000 0.251 114 K C -1.115 175.574 176.600 0.149 0.000 0.944 114 K CA -0.814 55.478 56.287 0.008 0.000 0.829 114 K CB 2.469 34.806 32.500 -0.272 0.000 1.125 114 K HN 0.569 nan 8.250 nan 0.000 0.430 115 V N 3.541 123.541 119.914 0.144 0.000 2.638 115 V HA 0.601 4.719 4.120 -0.003 0.000 0.306 115 V C -0.974 175.236 176.094 0.193 0.000 1.052 115 V CA -0.955 61.439 62.300 0.156 0.000 0.885 115 V CB 1.127 33.047 31.823 0.161 0.000 0.999 115 V HN 0.736 nan 8.190 nan 0.000 0.424 116 F N 2.939 122.899 119.950 0.017 0.000 2.645 116 F HA 0.886 5.411 4.527 -0.003 0.000 0.310 116 F C -1.192 174.551 175.800 -0.095 0.000 1.102 116 F CA -1.284 56.651 58.000 -0.108 0.000 0.952 116 F CB 1.511 40.357 39.000 -0.257 0.000 1.326 116 F HN 0.270 nan 8.300 nan 0.000 0.456 117 I N 1.256 121.847 120.570 0.034 0.000 2.569 117 I HA 0.419 4.587 4.170 -0.003 0.000 0.296 117 I C -1.057 175.122 176.117 0.104 0.000 1.028 117 I CA -0.655 60.649 61.300 0.006 0.000 1.082 117 I CB 2.217 40.124 38.000 -0.155 0.000 1.264 117 I HN 0.715 nan 8.210 nan 0.000 0.429 118 H N 4.121 123.315 119.070 0.207 0.000 2.589 118 H HA 0.339 4.893 4.556 -0.003 0.000 0.335 118 H C -0.987 174.457 175.328 0.194 0.000 1.019 118 H CA -0.813 55.332 56.048 0.161 0.000 1.213 118 H CB 1.600 31.433 29.762 0.118 0.000 1.472 118 H HN 0.507 nan 8.280 nan 0.000 0.508 119 E N 3.818 124.214 120.200 0.326 0.000 2.301 119 E HA 0.299 4.647 4.350 -0.003 0.000 0.275 119 E C -0.608 176.125 176.600 0.221 0.000 1.030 119 E CA -0.491 56.092 56.400 0.305 0.000 0.852 119 E CB 1.778 31.647 29.700 0.281 0.000 1.060 119 E HN 0.341 nan 8.360 nan 0.000 0.401 120 L N 2.574 123.906 121.223 0.183 0.000 2.342 120 L HA 0.359 4.697 4.340 -0.003 0.000 0.271 120 L C 0.148 177.089 176.870 0.120 0.000 1.008 120 L CA -1.214 53.683 54.840 0.095 0.000 0.818 120 L CB 1.270 43.349 42.059 0.032 0.000 1.296 120 L HN 0.548 nan 8.230 nan 0.000 0.427 121 N N 1.149 119.905 118.700 0.094 0.000 2.418 121 N HA 0.326 5.064 4.740 -0.003 0.000 0.283 121 N C 0.747 176.305 175.510 0.081 0.000 1.267 121 N CA -0.138 52.967 53.050 0.092 0.000 0.975 121 N CB 0.437 38.968 38.487 0.074 0.000 1.167 121 N HN 0.623 nan 8.380 nan 0.000 0.581 122 A N -0.819 122.043 122.820 0.070 0.000 1.940 122 A HA 0.006 4.324 4.320 -0.003 0.000 0.219 122 A C 1.785 179.406 177.584 0.062 0.000 1.176 122 A CA 1.745 53.820 52.037 0.063 0.000 0.631 122 A CB -1.622 17.409 19.000 0.052 0.000 0.814 122 A HN 0.812 nan 8.150 nan 0.000 0.446 123 G N -1.309 107.524 108.800 0.056 0.000 3.279 123 G HA2 0.191 4.150 3.960 -0.003 0.000 0.230 123 G HA3 0.191 4.150 3.960 -0.003 0.000 0.230 123 G C 0.436 175.378 174.900 0.070 0.000 1.230 123 G CA 0.392 45.524 45.100 0.053 0.000 0.891 123 G HN 0.498 nan 8.290 nan 0.000 0.518 124 N N -0.658 118.097 118.700 0.093 0.000 2.741 124 N HA -0.151 4.587 4.740 -0.003 0.000 0.251 124 N C 0.226 175.831 175.510 0.159 0.000 1.112 124 N CA 1.029 54.167 53.050 0.146 0.000 0.750 124 N CB -0.862 37.722 38.487 0.162 0.000 1.119 124 N HN 0.587 nan 8.380 nan 0.000 0.561 125 Q N 0.312 120.161 119.800 0.080 0.000 2.230 125 Q HA 0.406 4.744 4.340 -0.003 0.000 0.248 125 Q C 0.522 176.517 176.000 -0.008 0.000 0.915 125 Q CA -0.540 55.291 55.803 0.046 0.000 0.900 125 Q CB 1.653 30.400 28.738 0.015 0.000 1.229 125 Q HN 0.253 nan 8.270 nan 0.000 0.439 126 L N 2.346 123.538 121.223 -0.051 0.000 2.456 126 L HA -0.021 4.317 4.340 -0.003 0.000 0.277 126 L C 0.923 177.744 176.870 -0.082 0.000 1.124 126 L CA 0.180 54.947 54.840 -0.123 0.000 0.880 126 L CB 0.426 42.358 42.059 -0.213 0.000 1.192 126 L HN 0.847 nan 8.230 nan 0.000 0.463 127 S N 2.178 117.870 115.700 -0.013 0.000 2.475 127 S HA 0.126 4.594 4.470 -0.003 0.000 0.224 127 S C 0.247 174.690 174.600 -0.261 0.000 1.042 127 S CA -0.094 58.069 58.200 -0.061 0.000 0.935 127 S CB 0.206 63.478 63.200 0.120 0.000 0.801 127 S HN 0.730 nan 8.310 nan 0.000 0.509 128 H N -0.387 118.714 119.070 0.051 0.000 2.996 128 H HA 0.646 5.200 4.556 -0.002 0.000 0.368 128 H C -1.226 174.161 175.328 0.097 0.000 1.185 128 H CA -0.570 55.529 56.048 0.085 0.000 1.160 128 H CB 1.485 31.334 29.762 0.146 0.000 1.820 128 H HN 0.147 nan 8.280 nan 0.000 0.547 129 M N 1.653 121.366 119.600 0.188 0.000 2.383 129 M HA 0.399 4.877 4.480 -0.003 0.000 0.325 129 M C -0.075 176.225 176.300 -0.001 0.000 1.092 129 M CA -0.854 54.534 55.300 0.146 0.000 0.961 129 M CB 2.111 34.756 32.600 0.076 0.000 1.672 129 M HN 0.752 nan 8.290 nan 0.000 0.438 130 S N 2.393 117.959 115.700 -0.224 0.000 2.681 130 S HA 0.645 5.114 4.470 -0.003 0.000 0.270 130 S C -2.710 171.662 174.600 -0.380 0.000 1.209 130 S CA -1.210 56.666 58.200 -0.540 0.000 0.988 130 S CB 0.466 63.061 63.200 -1.008 0.000 1.006 130 S HN 0.315 nan 8.310 nan 0.000 0.558 131 P HA 0.299 nan 4.420 nan 0.000 0.273 131 P C -0.825 175.921 177.300 -0.922 0.000 1.250 131 P CA -0.311 62.405 63.100 -0.641 0.000 0.793 131 P CB 0.226 31.499 31.700 -0.711 0.000 1.011 132 I N 1.627 121.694 120.570 -0.839 0.000 2.312 132 I HA 0.197 4.365 4.170 -0.003 0.000 0.291 132 I C -0.248 175.428 176.117 -0.734 0.000 1.031 132 I CA -0.344 60.508 61.300 -0.747 0.000 1.293 132 I CB 0.090 37.467 38.000 -1.040 0.000 1.403 132 I HN 0.255 nan 8.210 nan 0.000 0.484 133 Y N 4.028 124.123 120.300 -0.342 0.000 2.334 133 Y HA 0.392 4.940 4.550 -0.003 0.000 0.328 133 Y C 0.647 176.393 175.900 -0.256 0.000 1.130 133 Y CA -0.661 57.120 58.100 -0.532 0.000 1.163 133 Y CB 1.460 39.445 38.460 -0.790 0.000 1.207 133 Y HN 0.371 nan 8.280 nan 0.000 0.471 134 T N 5.018 119.589 114.554 0.028 0.000 2.779 134 T HA 0.611 4.959 4.350 -0.003 0.000 0.280 134 T C -0.478 174.385 174.700 0.273 0.000 0.987 134 T CA -0.516 61.671 62.100 0.146 0.000 0.966 134 T CB 0.256 69.198 68.868 0.123 0.000 0.933 134 T HN 0.378 nan 8.240 nan 0.000 0.442 135 I N 2.697 123.396 120.570 0.215 0.000 2.439 135 I HA 0.300 4.468 4.170 -0.003 0.000 0.285 135 I C -0.056 176.132 176.117 0.119 0.000 1.021 135 I CA -0.998 60.411 61.300 0.183 0.000 1.091 135 I CB 1.961 40.058 38.000 0.160 0.000 1.242 135 I HN 0.447 nan 8.210 nan 0.000 0.439 136 E N 6.303 126.549 120.200 0.077 0.000 2.351 136 E HA 0.132 4.480 4.350 -0.003 0.000 0.266 136 E C 0.156 176.759 176.600 0.004 0.000 1.031 136 E CA 0.479 56.906 56.400 0.046 0.000 0.911 136 E CB 0.710 30.425 29.700 0.026 0.000 0.986 136 E HN 0.439 nan 8.360 nan 0.000 0.446 137 M N 2.449 122.051 119.600 0.003 0.000 2.470 137 M HA 0.300 4.779 4.480 -0.003 0.000 0.262 137 M C 0.678 176.915 176.300 -0.105 0.000 1.211 137 M CA 0.880 56.153 55.300 -0.046 0.000 1.125 137 M CB -0.427 32.179 32.600 0.010 0.000 1.480 137 M HN 0.615 nan 8.290 nan 0.000 0.541 138 G N 1.540 110.321 108.800 -0.033 0.000 2.712 138 G HA2 -0.170 3.788 3.960 -0.003 0.000 0.686 138 G HA3 -0.170 3.788 3.960 -0.003 0.000 0.686 138 G C -0.249 174.676 174.900 0.041 0.000 1.321 138 G CA -0.249 44.873 45.100 0.036 0.000 0.813 138 G HN 0.232 nan 8.290 nan 0.000 0.599 139 D N 0.173 120.616 120.400 0.071 0.000 2.117 139 D HA -0.052 4.587 4.640 -0.003 0.000 0.197 139 D C 2.160 178.487 176.300 0.045 0.000 0.987 139 D CA 1.706 55.731 54.000 0.043 0.000 0.829 139 D CB 0.048 40.876 40.800 0.047 0.000 0.961 139 D HN 0.576 nan 8.370 nan 0.000 0.460 140 E N 0.136 120.369 120.200 0.055 0.000 2.072 140 E HA -0.102 4.247 4.350 -0.003 0.000 0.191 140 E C 1.856 178.479 176.600 0.038 0.000 0.985 140 E CA 0.344 56.774 56.400 0.049 0.000 0.801 140 E CB -0.299 29.433 29.700 0.054 0.000 0.750 140 E HN 0.141 nan 8.360 nan 0.000 0.452 141 L N 0.092 121.328 121.223 0.022 0.000 2.141 141 L HA 0.004 4.342 4.340 -0.003 0.000 0.209 141 L C 1.928 178.821 176.870 0.038 0.000 1.094 141 L CA 1.373 56.222 54.840 0.016 0.000 0.763 141 L CB -0.364 41.684 42.059 -0.019 0.000 0.908 141 L HN 0.237 nan 8.230 nan 0.000 0.437 142 L N -0.806 120.443 121.223 0.042 0.000 2.093 142 L HA -0.154 4.184 4.340 -0.003 0.000 0.208 142 L C 2.616 179.534 176.870 0.081 0.000 1.085 142 L CA 1.113 55.992 54.840 0.066 0.000 0.755 142 L CB -0.789 41.294 42.059 0.041 0.000 0.904 142 L HN 0.384 nan 8.230 nan 0.000 0.435 143 A N 0.080 122.938 122.820 0.064 0.000 1.902 143 A HA -0.266 4.052 4.320 -0.003 0.000 0.217 143 A C 2.371 180.006 177.584 0.085 0.000 1.181 143 A CA 1.978 54.057 52.037 0.071 0.000 0.623 143 A CB -0.401 18.634 19.000 0.059 0.000 0.818 143 A HN 0.323 nan 8.150 nan 0.000 0.443 144 K N -0.319 120.125 120.400 0.074 0.000 2.097 144 K HA -0.001 4.317 4.320 -0.003 0.000 0.205 144 K C 1.765 178.422 176.600 0.096 0.000 1.050 144 K CA 1.140 57.471 56.287 0.074 0.000 0.938 144 K CB -0.281 32.251 32.500 0.053 0.000 0.718 144 K HN 0.474 nan 8.250 nan 0.000 0.442 145 L N 0.178 121.463 121.223 0.104 0.000 2.201 145 L HA -0.078 4.260 4.340 -0.003 0.000 0.212 145 L C 2.048 179.046 176.870 0.213 0.000 1.105 145 L CA 0.910 55.826 54.840 0.128 0.000 0.775 145 L CB -0.203 41.933 42.059 0.128 0.000 0.913 145 L HN 0.230 nan 8.230 nan 0.000 0.440 146 A N -0.847 122.108 122.820 0.224 0.000 2.345 146 A HA 0.146 4.465 4.320 -0.003 0.000 0.225 146 A C 1.969 179.691 177.584 0.230 0.000 1.243 146 A CA 0.015 52.224 52.037 0.287 0.000 0.875 146 A CB -0.050 19.081 19.000 0.218 0.000 0.929 146 A HN 0.309 nan 8.150 nan 0.000 0.502 147 R N -1.072 119.541 120.500 0.188 0.000 2.789 147 R HA 0.226 4.564 4.340 -0.003 0.000 0.166 147 R C -0.774 175.614 176.300 0.147 0.000 0.957 147 R CA 0.553 56.742 56.100 0.148 0.000 1.084 147 R CB 0.398 30.759 30.300 0.102 0.000 1.312 147 R HN 0.338 nan 8.270 nan 0.000 0.546 148 D N 0.243 120.712 120.400 0.115 0.000 2.470 148 D HA 0.496 5.134 4.640 -0.003 0.000 0.233 148 D C -1.720 174.612 176.300 0.054 0.000 1.372 148 D CA -0.249 53.798 54.000 0.079 0.000 0.994 148 D CB 1.709 42.541 40.800 0.052 0.000 1.377 148 D HN 0.340 nan 8.370 nan 0.000 0.586 149 A N 2.263 125.105 122.820 0.036 0.000 2.532 149 A HA 0.866 5.184 4.320 -0.003 0.000 0.290 149 A C -0.680 176.864 177.584 -0.068 0.000 1.143 149 A CA -0.691 51.352 52.037 0.010 0.000 0.728 149 A CB 1.950 20.969 19.000 0.032 0.000 1.317 149 A HN 0.355 nan 8.150 nan 0.000 0.414 150 T N 0.865 115.357 114.554 -0.103 0.000 2.807 150 T HA 0.506 4.854 4.350 -0.003 0.000 0.279 150 T C -0.966 173.501 174.700 -0.388 0.000 0.993 150 T CA 0.000 61.900 62.100 -0.334 0.000 0.970 150 T CB 0.669 69.224 68.868 -0.521 0.000 0.950 150 T HN 0.456 nan 8.240 nan 0.000 0.441 151 F N 3.797 123.404 119.950 -0.570 0.000 2.411 151 F HA 0.645 5.170 4.527 -0.002 0.000 0.350 151 F C -1.300 174.208 175.800 -0.486 0.000 1.114 151 F CA -0.877 56.895 58.000 -0.380 0.000 1.135 151 F CB 0.337 39.190 39.000 -0.245 0.000 1.120 151 F HN 0.442 nan 8.300 nan 0.000 0.495 152 F N 5.475 125.103 119.950 -0.537 0.000 2.495 152 F HA 0.607 5.132 4.527 -0.003 0.000 0.327 152 F C -0.581 174.880 175.800 -0.566 0.000 1.103 152 F CA -1.102 56.664 58.000 -0.389 0.000 0.949 152 F CB 2.029 40.892 39.000 -0.229 0.000 1.142 152 F HN 0.336 nan 8.300 nan 0.000 0.457 153 V N 1.529 121.357 119.914 -0.143 0.000 2.623 153 V HA 0.869 4.987 4.120 -0.003 0.000 0.304 153 V C -1.006 175.066 176.094 -0.036 0.000 1.054 153 V CA -0.859 61.347 62.300 -0.157 0.000 0.882 153 V CB 1.816 33.545 31.823 -0.156 0.000 1.002 153 V HN 0.930 nan 8.190 nan 0.000 0.424 154 R N 3.875 124.360 120.500 -0.026 0.000 2.771 154 R HA 0.938 5.277 4.340 -0.003 0.000 0.274 154 R C -0.369 175.947 176.300 0.028 0.000 0.987 154 R CA -0.283 55.818 56.100 0.002 0.000 0.908 154 R CB 2.147 32.448 30.300 0.001 0.000 1.213 154 R HN 1.290 nan 8.270 nan 0.000 0.468 155 A N 1.506 124.346 122.820 0.033 0.000 2.407 155 A HA 0.272 4.590 4.320 -0.003 0.000 0.248 155 A C -0.884 176.767 177.584 0.112 0.000 1.082 155 A CA -0.069 52.001 52.037 0.055 0.000 0.785 155 A CB 0.108 19.122 19.000 0.024 0.000 1.020 155 A HN 0.814 nan 8.150 nan 0.000 0.489 156 H N 0.250 119.322 119.070 0.003 0.000 3.013 156 H HA 0.378 4.933 4.556 -0.002 0.000 0.326 156 H C -0.321 175.010 175.328 0.005 0.000 0.973 156 H CA -0.058 55.991 56.048 0.001 0.000 1.369 156 H CB 0.293 30.057 29.762 0.003 0.000 1.598 156 H HN 0.908 nan 8.280 nan 0.000 0.518 157 E N 1.942 121.909 120.200 -0.388 0.000 2.328 157 E HA -0.218 4.130 4.350 -0.003 0.000 0.233 157 E C -0.603 175.906 176.600 -0.151 0.000 1.219 157 E CA 0.904 57.114 56.400 -0.317 0.000 0.717 157 E CB -0.837 28.572 29.700 -0.486 0.000 1.210 157 E HN 0.497 nan 8.360 nan 0.000 0.381 158 S N -0.084 115.567 115.700 -0.081 0.000 2.580 158 S HA 0.199 4.667 4.470 -0.003 0.000 0.274 158 S C 0.942 175.522 174.600 -0.034 0.000 1.329 158 S CA -0.549 57.630 58.200 -0.035 0.000 1.036 158 S CB 0.698 63.891 63.200 -0.012 0.000 0.919 158 S HN 0.287 nan 8.310 nan 0.000 0.515 159 N N 2.483 121.171 118.700 -0.021 0.000 2.280 159 N HA 0.095 4.834 4.740 -0.003 0.000 0.192 159 N C -0.439 175.063 175.510 -0.012 0.000 1.109 159 N CA 0.136 53.175 53.050 -0.019 0.000 0.855 159 N CB 0.296 38.775 38.487 -0.014 0.000 0.974 159 N HN 0.686 nan 8.380 nan 0.000 0.482 160 E N 0.470 120.664 120.200 -0.009 0.000 2.331 160 E HA 0.135 4.483 4.350 -0.003 0.000 0.272 160 E C 1.033 177.628 176.600 -0.009 0.000 1.036 160 E CA -0.336 56.060 56.400 -0.007 0.000 0.864 160 E CB 1.179 30.877 29.700 -0.004 0.000 1.035 160 E HN -0.070 nan 8.360 nan 0.000 0.408 161 M N 1.106 120.701 119.600 -0.008 0.000 2.229 161 M HA -0.128 4.350 4.480 -0.003 0.000 0.264 161 M C 0.330 176.625 176.300 -0.008 0.000 1.063 161 M CA 1.828 57.124 55.300 -0.008 0.000 1.114 161 M CB -0.257 32.339 32.600 -0.007 0.000 1.387 161 M HN 0.491 nan 8.290 nan 0.000 0.420 162 Q N 0.748 120.543 119.800 -0.008 0.000 3.244 162 Q HA 0.276 4.614 4.340 -0.003 0.000 0.249 162 Q C -2.306 173.688 176.000 -0.011 0.000 0.951 162 Q CA -1.549 54.248 55.803 -0.010 0.000 0.740 162 Q CB 1.219 29.951 28.738 -0.010 0.000 1.334 162 Q HN 0.151 nan 8.270 nan 0.000 0.448 163 P HA -0.076 nan 4.420 nan 0.000 0.265 163 P C -0.314 176.975 177.300 -0.018 0.000 1.187 163 P CA 0.547 63.641 63.100 -0.010 0.000 0.766 163 P CB 1.031 32.728 31.700 -0.005 0.000 0.820 164 T N 0.152 114.695 114.554 -0.019 0.000 2.883 164 T HA 0.623 4.971 4.350 -0.003 0.000 0.301 164 T C -1.069 173.613 174.700 -0.030 0.000 1.158 164 T CA -0.909 61.171 62.100 -0.033 0.000 1.007 164 T CB 1.528 70.376 68.868 -0.033 0.000 1.186 164 T HN 0.295 nan 8.240 nan 0.000 0.499 165 L N 1.611 122.804 121.223 -0.050 0.000 2.381 165 L HA 0.847 5.185 4.340 -0.003 0.000 0.274 165 L C -0.480 176.357 176.870 -0.056 0.000 0.988 165 L CA -0.715 54.099 54.840 -0.044 0.000 0.824 165 L CB 1.382 43.414 42.059 -0.045 0.000 1.263 165 L HN 1.136 nan 8.230 nan 0.000 0.410 166 A N 6.539 129.335 122.820 -0.041 0.000 2.274 166 A HA 0.799 5.117 4.320 -0.003 0.000 0.309 166 A C -0.637 176.925 177.584 -0.037 0.000 1.226 166 A CA -0.387 51.628 52.037 -0.037 0.000 0.853 166 A CB 0.190 19.176 19.000 -0.022 0.000 1.146 166 A HN 0.694 nan 8.150 nan 0.000 0.518 167 I N 2.119 122.674 120.570 -0.025 0.000 2.509 167 I HA 0.498 4.667 4.170 -0.003 0.000 0.293 167 I C 0.118 176.235 176.117 0.001 0.000 1.020 167 I CA -0.402 60.894 61.300 -0.006 0.000 1.088 167 I CB 2.471 40.490 38.000 0.032 0.000 1.267 167 I HN 0.744 nan 8.210 nan 0.000 0.430 168 S N 1.736 117.446 115.700 0.018 0.000 2.595 168 S HA 0.520 4.988 4.470 -0.003 0.000 0.281 168 S C -0.426 174.214 174.600 0.066 0.000 1.117 168 S CA -0.756 57.441 58.200 -0.005 0.000 0.873 168 S CB 1.318 64.528 63.200 0.017 0.000 1.108 168 S HN 0.854 nan 8.310 nan 0.000 0.477 169 H N -0.683 118.394 119.070 0.011 0.000 2.626 169 H HA -0.109 4.445 4.556 -0.003 0.000 0.317 169 H C 0.450 175.772 175.328 -0.009 0.000 1.140 169 H CA 0.784 56.824 56.048 -0.013 0.000 1.134 169 H CB -1.718 28.023 29.762 -0.034 0.000 1.486 169 H HN 1.044 nan 8.280 nan 0.000 0.417 170 A N 0.927 123.805 122.820 0.097 0.000 2.401 170 A HA 0.661 4.980 4.320 -0.003 0.000 0.259 170 A C 1.084 178.733 177.584 0.110 0.000 1.103 170 A CA 0.621 52.739 52.037 0.134 0.000 0.789 170 A CB 0.876 19.989 19.000 0.189 0.000 1.035 170 A HN 0.796 nan 8.150 nan 0.000 0.491 171 G N -0.959 107.826 108.800 -0.026 0.000 2.441 171 G HA2 0.568 4.526 3.960 -0.003 0.000 0.294 171 G HA3 0.568 4.526 3.960 -0.003 0.000 0.294 171 G C -1.652 172.890 174.900 -0.596 0.000 1.393 171 G CA 0.224 45.072 45.100 -0.421 0.000 0.796 171 G HN 1.818 nan 8.290 nan 0.000 0.494 172 V N 0.160 119.558 119.914 -0.859 0.000 2.808 172 V HA 0.851 4.969 4.120 -0.003 0.000 0.308 172 V C -0.367 175.345 176.094 -0.636 0.000 1.099 172 V CA 0.299 62.078 62.300 -0.868 0.000 0.920 172 V CB 1.871 32.952 31.823 -1.236 0.000 1.014 172 V HN 1.870 nan 8.190 nan 0.000 0.425 173 S N 4.974 120.386 115.700 -0.482 0.000 2.634 173 S HA 0.886 5.354 4.470 -0.003 0.000 0.296 173 S C -1.050 173.442 174.600 -0.180 0.000 1.104 173 S CA -0.667 57.370 58.200 -0.272 0.000 0.920 173 S CB 1.897 64.992 63.200 -0.174 0.000 1.111 173 S HN 1.515 nan 8.310 nan 0.000 0.493 174 V N 1.164 121.037 119.914 -0.069 0.000 2.638 174 V HA 0.772 4.890 4.120 -0.003 0.000 0.306 174 V C -1.116 175.040 176.094 0.103 0.000 1.052 174 V CA -0.667 61.637 62.300 0.006 0.000 0.885 174 V CB 1.723 33.535 31.823 -0.018 0.000 0.999 174 V HN 1.011 nan 8.190 nan 0.000 0.424 175 V N 8.481 128.498 119.914 0.173 0.000 2.384 175 V HA 0.622 4.740 4.120 -0.003 0.000 0.287 175 V C -0.516 175.742 176.094 0.273 0.000 1.020 175 V CA -0.569 61.882 62.300 0.253 0.000 0.850 175 V CB 1.617 33.621 31.823 0.302 0.000 0.987 175 V HN 0.882 nan 8.190 nan 0.000 0.436 176 M N 5.903 125.597 119.600 0.156 0.000 2.268 176 M HA 0.598 5.077 4.480 -0.003 0.000 0.344 176 M C 0.303 176.538 176.300 -0.108 0.000 1.106 176 M CA -0.239 55.078 55.300 0.028 0.000 1.010 176 M CB 1.213 33.795 32.600 -0.030 0.000 1.649 176 M HN 0.754 nan 8.290 nan 0.000 0.443 177 A N 3.010 125.555 122.820 -0.457 0.000 2.296 177 A HA 0.382 4.701 4.320 -0.003 0.000 0.264 177 A C 0.245 177.547 177.584 -0.471 0.000 1.097 177 A CA -0.300 51.247 52.037 -0.818 0.000 0.811 177 A CB 0.441 18.368 19.000 -1.789 0.000 1.072 177 A HN 0.840 nan 8.150 nan 0.000 0.495 186 R N 1.208 121.601 120.500 -0.179 0.000 2.445 186 R HA 0.468 4.807 4.340 -0.003 0.000 0.308 186 R C -0.943 175.357 176.300 0.000 0.000 0.961 186 R CA -0.723 55.370 56.100 -0.011 0.000 0.862 186 R CB 0.807 31.136 30.300 0.048 0.000 1.144 186 R HN 0.678 nan 8.270 nan 0.000 0.447 187 W N 1.935 123.357 121.300 0.203 0.000 2.506 187 W HA 0.224 4.882 4.660 -0.003 0.000 0.394 187 W C 1.580 178.217 176.519 0.196 0.000 0.920 187 W CA -0.422 57.050 57.345 0.212 0.000 2.221 187 W CB 1.256 30.767 29.460 0.085 0.000 1.197 187 W HN 0.806 nan 8.180 nan 0.000 0.627 188 S N 0.808 116.704 115.700 0.326 0.000 2.368 188 S HA -0.233 4.235 4.470 -0.003 0.000 0.225 188 S C 1.681 176.393 174.600 0.188 0.000 1.030 188 S CA 2.273 60.616 58.200 0.239 0.000 0.999 188 S CB 0.238 63.553 63.200 0.191 0.000 0.844 188 S HN 0.266 nan 8.310 nan 0.000 0.459 189 E N 0.952 121.226 120.200 0.124 0.000 2.110 189 E HA -0.109 4.239 4.350 -0.003 0.000 0.193 189 E C 1.582 178.228 176.600 0.077 0.000 0.988 189 E CA 1.114 57.518 56.400 0.007 0.000 0.804 189 E CB -0.508 29.081 29.700 -0.186 0.000 0.745 189 E HN 0.725 nan 8.360 nan 0.000 0.458 190 W N 1.064 122.368 121.300 0.008 0.000 2.321 190 W HA -0.250 4.409 4.660 -0.003 0.000 0.306 190 W C 1.731 178.287 176.519 0.062 0.000 1.217 190 W CA 1.918 59.310 57.345 0.079 0.000 1.257 190 W CB -0.128 29.486 29.460 0.256 0.000 1.145 190 W HN 0.155 nan 8.180 nan 0.000 0.509 191 A N -0.066 122.836 122.820 0.136 0.000 2.218 191 A HA 0.083 4.402 4.320 -0.003 0.000 0.209 191 A C 1.055 178.401 177.584 -0.397 0.000 1.168 191 A CA 0.857 52.824 52.037 -0.116 0.000 0.804 191 A CB -0.562 18.452 19.000 0.023 0.000 0.834 191 A HN 0.195 nan 8.150 nan 0.000 0.482 192 S N -2.618 112.973 115.700 -0.181 0.000 2.798 192 S HA 0.566 5.034 4.470 -0.003 0.000 0.312 192 S C 1.295 175.940 174.600 0.075 0.000 1.122 192 S CA 0.070 58.189 58.200 -0.134 0.000 0.949 192 S CB 0.853 64.052 63.200 -0.002 0.000 1.235 192 S HN 0.453 nan 8.310 nan 0.000 0.552 193 G N 0.172 109.057 108.800 0.141 0.000 2.470 193 G HA2 -0.099 3.859 3.960 -0.003 0.000 0.220 193 G HA3 -0.099 3.859 3.960 -0.003 0.000 0.220 193 G C 1.052 176.019 174.900 0.112 0.000 1.121 193 G CA 0.290 45.517 45.100 0.213 0.000 0.766 193 G HN 0.726 nan 8.290 nan 0.000 0.553 194 K N 0.163 120.513 120.400 -0.083 0.000 2.515 194 K HA 0.065 4.383 4.320 -0.003 0.000 0.196 194 K C 2.271 178.710 176.600 -0.270 0.000 1.038 194 K CA 0.241 56.283 56.287 -0.409 0.000 0.967 194 K CB 0.008 32.276 32.500 -0.387 0.000 0.780 194 K HN 0.233 nan 8.250 nan 0.000 0.483 195 V N 1.564 121.381 119.914 -0.161 0.000 2.469 195 V HA -0.224 3.895 4.120 -0.003 0.000 0.251 195 V C 1.721 177.681 176.094 -0.223 0.000 1.064 195 V CA 1.530 63.717 62.300 -0.189 0.000 1.066 195 V CB -0.229 31.471 31.823 -0.205 0.000 0.667 195 V HN 0.315 nan 8.190 nan 0.000 0.461 196 L N -0.904 120.192 121.223 -0.211 0.000 2.201 196 L HA -0.169 4.169 4.340 -0.003 0.000 0.212 196 L C 2.553 179.342 176.870 -0.135 0.000 1.105 196 L CA 1.448 56.173 54.840 -0.191 0.000 0.775 196 L CB -0.823 41.155 42.059 -0.134 0.000 0.913 196 L HN 0.408 nan 8.230 nan 0.000 0.440 197 c N 0.008 118.498 118.600 -0.184 0.000 2.437 197 c HA -0.063 4.505 4.570 -0.003 0.000 0.283 197 c C 2.486 176.513 174.090 -0.104 0.000 1.424 197 c CA 0.333 56.569 56.329 -0.156 0.000 1.782 197 c CB -0.909 41.440 42.510 -0.267 0.000 1.833 197 c HN 0.460 nan 8.230 nan 0.000 0.532 198 L N -0.201 120.934 121.223 -0.147 0.000 2.509 198 L HA 0.157 4.495 4.340 -0.003 0.000 0.222 198 L C 0.323 177.175 176.870 -0.030 0.000 1.123 198 L CA 0.651 55.425 54.840 -0.111 0.000 0.856 198 L CB -0.337 41.542 42.059 -0.301 0.000 0.985 198 L HN 0.291 nan 8.230 nan 0.000 0.456 199 L N 0.103 121.295 121.223 -0.052 0.000 2.277 199 L HA 0.213 4.551 4.340 -0.003 0.000 0.284 199 L C 0.856 177.698 176.870 -0.047 0.000 1.028 199 L CA -0.458 54.373 54.840 -0.015 0.000 0.835 199 L CB 1.344 43.393 42.059 -0.016 0.000 1.215 199 L HN -0.107 nan 8.230 nan 0.000 0.425 200 D N 4.053 124.347 120.400 -0.176 0.000 2.133 200 D HA -0.160 4.478 4.640 -0.003 0.000 0.192 200 D C -0.584 175.627 176.300 -0.148 0.000 1.001 200 D CA 1.831 55.640 54.000 -0.318 0.000 0.844 200 D CB -0.337 39.955 40.800 -0.847 0.000 0.944 200 D HN 0.332 nan 8.370 nan 0.000 0.447 201 P HA -0.089 nan 4.420 nan 0.000 0.220 201 P C 0.826 178.168 177.300 0.071 0.000 1.144 201 P CA 0.714 63.830 63.100 0.026 0.000 0.800 201 P CB 0.099 31.882 31.700 0.138 0.000 0.772 202 L N -1.270 119.991 121.223 0.063 0.000 2.700 202 L HA 0.157 4.496 4.340 -0.003 0.000 0.234 202 L C 0.005 176.883 176.870 0.013 0.000 1.156 202 L CA 0.227 55.093 54.840 0.044 0.000 0.946 202 L CB -1.161 40.916 42.059 0.031 0.000 1.216 202 L HN -0.080 nan 8.230 nan 0.000 0.493 203 D N 1.086 121.485 120.400 -0.003 0.000 2.520 203 D HA 0.320 4.959 4.640 -0.003 0.000 0.243 203 D C 1.459 177.771 176.300 0.018 0.000 1.160 203 D CA 1.368 55.371 54.000 0.006 0.000 0.877 203 D CB 0.905 41.700 40.800 -0.008 0.000 1.150 203 D HN 0.400 nan 8.370 nan 0.000 0.494 204 G N 1.153 109.982 108.800 0.048 0.000 2.258 204 G HA2 -0.337 3.621 3.960 -0.003 0.000 0.233 204 G HA3 -0.337 3.621 3.960 -0.003 0.000 0.233 204 G C 1.298 176.246 174.900 0.080 0.000 1.006 204 G CA 0.160 45.294 45.100 0.056 0.000 0.620 204 G HN 0.451 nan 8.290 nan 0.000 0.511 205 V N 0.257 120.210 119.914 0.066 0.000 2.358 205 V HA -0.132 3.986 4.120 -0.003 0.000 0.246 205 V C 2.094 178.249 176.094 0.101 0.000 1.047 205 V CA 2.527 64.871 62.300 0.073 0.000 1.035 205 V CB -0.724 31.108 31.823 0.015 0.000 0.658 205 V HN 0.550 nan 8.190 nan 0.000 0.452 206 Y N 1.867 122.166 120.300 -0.002 0.000 2.163 206 Y HA -0.210 4.338 4.550 -0.003 0.000 0.288 206 Y C 2.576 178.486 175.900 0.016 0.000 1.136 206 Y CA 1.924 60.017 58.100 -0.012 0.000 1.147 206 Y CB -0.311 38.134 38.460 -0.025 0.000 0.987 206 Y HN 0.301 nan 8.280 nan 0.000 0.509 207 N N -0.507 118.279 118.700 0.144 0.000 2.069 207 N HA -0.270 4.468 4.740 -0.003 0.000 0.191 207 N C 1.749 177.268 175.510 0.015 0.000 1.031 207 N CA 1.905 55.002 53.050 0.077 0.000 0.852 207 N CB -1.112 37.450 38.487 0.125 0.000 1.018 207 N HN 0.501 nan 8.380 nan 0.000 0.423 208 Y N 1.649 121.906 120.300 -0.072 0.000 2.163 208 Y HA -0.005 4.543 4.550 -0.003 0.000 0.288 208 Y C 2.271 178.100 175.900 -0.118 0.000 1.136 208 Y CA 1.243 59.295 58.100 -0.079 0.000 1.147 208 Y CB -0.456 37.966 38.460 -0.062 0.000 0.987 208 Y HN -0.055 nan 8.280 nan 0.000 0.509 209 L N -0.685 120.393 121.223 -0.241 0.000 2.131 209 L HA -0.047 4.291 4.340 -0.003 0.000 0.206 209 L C 2.491 179.141 176.870 -0.367 0.000 1.087 209 L CA 1.038 55.669 54.840 -0.348 0.000 0.767 209 L CB -0.731 41.209 42.059 -0.199 0.000 0.917 209 L HN 0.284 nan 8.230 nan 0.000 0.441 210 A N -1.322 121.213 122.820 -0.475 0.000 2.178 210 A HA -0.029 4.289 4.320 -0.003 0.000 0.211 210 A C 1.131 178.532 177.584 -0.306 0.000 1.157 210 A CA -0.021 51.710 52.037 -0.510 0.000 0.780 210 A CB -0.045 18.296 19.000 -1.097 0.000 0.828 210 A HN 0.504 nan 8.150 nan 0.000 0.476 211 Q N -1.123 118.523 119.800 -0.258 0.000 2.475 211 Q HA -0.243 4.096 4.340 -0.003 0.000 0.280 211 Q C -0.401 175.561 176.000 -0.064 0.000 1.234 211 Q CA 1.168 56.887 55.803 -0.140 0.000 0.873 211 Q CB -1.955 26.708 28.738 -0.125 0.000 1.256 211 Q HN 1.011 nan 8.270 nan 0.000 0.475 212 Q N -1.894 117.871 119.800 -0.060 0.000 2.472 212 Q HA 0.646 4.985 4.340 -0.003 0.000 0.281 212 Q C -1.016 175.069 176.000 0.142 0.000 0.997 212 Q CA -1.416 54.419 55.803 0.053 0.000 0.828 212 Q CB 1.309 30.104 28.738 0.096 0.000 1.443 212 Q HN -0.073 nan 8.270 nan 0.000 0.390 213 R N 0.224 120.823 120.500 0.164 0.000 2.738 213 R HA 0.186 4.524 4.340 -0.003 0.000 0.268 213 R C 0.760 177.217 176.300 0.262 0.000 1.062 213 R CA -0.068 56.142 56.100 0.184 0.000 1.158 213 R CB 0.293 30.661 30.300 0.114 0.000 1.046 213 R HN 0.918 nan 8.270 nan 0.000 0.493 214 c N 0.573 119.283 118.600 0.183 0.000 2.425 214 c HA -0.141 4.427 4.570 -0.003 0.000 0.277 214 c C 1.183 175.257 174.090 -0.028 0.000 1.280 214 c CA 0.564 56.874 56.329 -0.032 0.000 1.744 214 c CB -1.230 41.216 42.510 -0.107 0.000 1.989 214 c HN 0.964 nan 8.230 nan 0.000 0.491 215 N N -0.006 118.708 118.700 0.023 0.000 2.699 215 N HA -0.184 4.554 4.740 -0.003 0.000 0.256 215 N C -0.572 174.931 175.510 -0.012 0.000 0.993 215 N CA 0.246 53.302 53.050 0.010 0.000 0.759 215 N CB -1.315 37.181 38.487 0.015 0.000 0.906 215 N HN 0.563 nan 8.380 nan 0.000 0.541 216 L N 0.018 121.237 121.223 -0.007 0.000 2.452 216 L HA 0.195 4.533 4.340 -0.003 0.000 0.267 216 L C 1.089 177.977 176.870 0.030 0.000 1.188 216 L CA -0.300 54.550 54.840 0.017 0.000 0.821 216 L CB 0.277 42.369 42.059 0.055 0.000 1.102 216 L HN 0.278 nan 8.230 nan 0.000 0.470 217 D N 0.979 121.409 120.400 0.049 0.000 2.358 217 D HA -0.012 4.627 4.640 -0.003 0.000 0.244 217 D C 0.568 176.878 176.300 0.016 0.000 1.163 217 D CA -0.290 53.726 54.000 0.027 0.000 0.945 217 D CB 0.921 41.742 40.800 0.035 0.000 1.152 217 D HN 0.491 nan 8.370 nan 0.000 0.451 218 D N 0.145 120.534 120.400 -0.019 0.000 2.191 218 D HA -0.200 4.439 4.640 -0.003 0.000 0.190 218 D C 1.746 177.989 176.300 -0.095 0.000 1.007 218 D CA 1.914 55.885 54.000 -0.047 0.000 0.865 218 D CB -0.297 40.468 40.800 -0.058 0.000 0.929 218 D HN 0.357 nan 8.370 nan 0.000 0.447 219 T N -0.733 113.728 114.554 -0.155 0.000 2.565 219 T HA -0.237 4.112 4.350 -0.003 0.000 0.265 219 T C 1.579 176.005 174.700 -0.456 0.000 1.082 219 T CA 1.862 63.745 62.100 -0.363 0.000 1.173 219 T CB -0.623 67.960 68.868 -0.475 0.000 0.864 219 T HN 0.374 nan 8.240 nan 0.000 0.425 220 W N 1.016 122.256 121.300 -0.100 0.000 3.077 220 W HA 0.288 4.946 4.660 -0.002 0.000 0.266 220 W C 2.314 178.804 176.519 -0.048 0.000 1.300 220 W CA -0.340 56.957 57.345 -0.080 0.000 1.586 220 W CB -0.012 29.399 29.460 -0.082 0.000 1.103 220 W HN 0.383 nan 8.180 nan 0.000 0.652 221 E N 0.320 120.589 120.200 0.116 0.000 2.110 221 E HA -0.115 4.233 4.350 -0.003 0.000 0.193 221 E C 1.926 178.551 176.600 0.043 0.000 0.988 221 E CA 1.320 57.762 56.400 0.071 0.000 0.804 221 E CB -0.418 29.300 29.700 0.030 0.000 0.745 221 E HN 0.181 nan 8.360 nan 0.000 0.458 222 G N 2.028 110.824 108.800 -0.007 0.000 3.591 222 G HA2 0.041 4.000 3.960 -0.003 0.000 0.282 222 G HA3 0.041 4.000 3.960 -0.003 0.000 0.282 222 G C -0.162 174.714 174.900 -0.040 0.000 1.238 222 G CA -0.481 44.600 45.100 -0.032 0.000 0.993 222 G HN 0.180 nan 8.290 nan 0.000 0.542 223 K N 0.230 120.648 120.400 0.030 0.000 2.276 223 K HA 0.481 4.800 4.320 -0.003 0.000 0.259 223 K C -0.083 176.537 176.600 0.033 0.000 1.001 223 K CA -0.287 56.039 56.287 0.064 0.000 0.927 223 K CB 1.169 33.829 32.500 0.268 0.000 0.969 223 K HN 0.215 nan 8.250 nan 0.000 0.490 224 I N -1.047 119.524 120.570 0.001 0.000 2.582 224 I HA 0.460 4.628 4.170 -0.003 0.000 0.292 224 I C -1.321 174.771 176.117 -0.042 0.000 1.066 224 I CA -1.456 59.767 61.300 -0.128 0.000 1.053 224 I CB 1.484 39.395 38.000 -0.149 0.000 1.241 224 I HN 0.747 nan 8.210 nan 0.000 0.421 225 Y N 2.557 122.865 120.300 0.013 0.000 2.485 225 Y HA 0.879 5.427 4.550 -0.003 0.000 0.345 225 Y C -0.846 175.041 175.900 -0.022 0.000 0.998 225 Y CA -1.341 56.764 58.100 0.009 0.000 1.059 225 Y CB 1.429 39.903 38.460 0.024 0.000 1.234 225 Y HN 0.604 nan 8.280 nan 0.000 0.461 226 R N 1.463 122.046 120.500 0.137 0.000 2.651 226 R HA 0.651 4.989 4.340 -0.003 0.000 0.278 226 R C -1.807 174.491 176.300 -0.003 0.000 1.010 226 R CA -1.156 54.968 56.100 0.040 0.000 0.896 226 R CB 2.659 32.944 30.300 -0.025 0.000 1.211 226 R HN 0.584 nan 8.270 nan 0.000 0.456 227 V N 4.493 124.385 119.914 -0.038 0.000 2.488 227 V HA 0.112 4.230 4.120 -0.003 0.000 0.277 227 V C 1.083 177.075 176.094 -0.170 0.000 1.046 227 V CA -0.007 62.217 62.300 -0.128 0.000 0.986 227 V CB 1.022 32.773 31.823 -0.120 0.000 0.989 227 V HN 0.705 nan 8.190 nan 0.000 0.475 228 L N 4.062 125.127 121.223 -0.263 0.000 2.298 228 L HA 0.474 4.812 4.340 -0.003 0.000 0.209 228 L C 0.884 177.556 176.870 -0.330 0.000 1.084 228 L CA 0.885 55.564 54.840 -0.267 0.000 0.816 228 L CB 0.061 41.941 42.059 -0.297 0.000 0.967 228 L HN 0.755 nan 8.230 nan 0.000 0.460 229 A N -1.226 121.288 122.820 -0.510 0.000 2.612 229 A HA 0.614 4.932 4.320 -0.003 0.000 0.293 229 A C 0.011 177.247 177.584 -0.580 0.000 1.075 229 A CA 0.003 51.715 52.037 -0.541 0.000 0.680 229 A CB 0.633 19.150 19.000 -0.804 0.000 1.279 229 A HN 0.267 nan 8.150 nan 0.000 0.411 230 G N 0.562 109.191 108.800 -0.285 0.000 2.569 230 G HA2 -0.173 3.785 3.960 -0.003 0.000 0.259 230 G HA3 -0.173 3.785 3.960 -0.003 0.000 0.259 230 G C -0.035 174.785 174.900 -0.134 0.000 1.263 230 G CA 0.305 45.312 45.100 -0.155 0.000 0.928 230 G HN 1.853 nan 8.290 nan 0.000 0.572 231 N N 0.792 119.443 118.700 -0.082 0.000 2.710 231 N HA 0.432 5.171 4.740 -0.003 0.000 0.244 231 N C -3.073 172.456 175.510 0.031 0.000 1.321 231 N CA -1.258 51.776 53.050 -0.026 0.000 0.758 231 N CB 1.503 40.001 38.487 0.018 0.000 1.284 231 N HN 0.303 nan 8.380 nan 0.000 0.530 232 P HA 0.028 nan 4.420 nan 0.000 0.265 232 P C -0.679 176.532 177.300 -0.149 0.000 1.187 232 P CA 0.059 63.079 63.100 -0.133 0.000 0.766 232 P CB 0.770 32.320 31.700 -0.251 0.000 0.820 233 A N 3.655 126.334 122.820 -0.235 0.000 2.322 233 A HA 0.395 4.713 4.320 -0.003 0.000 0.269 233 A C -0.029 177.301 177.584 -0.425 0.000 1.094 233 A CA -0.170 51.522 52.037 -0.576 0.000 0.807 233 A CB 0.264 18.797 19.000 -0.778 0.000 1.047 233 A HN 0.465 nan 8.150 nan 0.000 0.487 234 K N 1.894 121.994 120.400 -0.500 0.000 2.621 234 K HA 0.302 4.620 4.320 -0.003 0.000 0.233 234 K C -1.569 174.845 176.600 -0.311 0.000 0.972 234 K CA -0.289 55.837 56.287 -0.268 0.000 0.988 234 K CB 1.030 33.424 32.500 -0.177 0.000 1.187 234 K HN 0.876 nan 8.250 nan 0.000 0.471 235 H N 0.389 119.419 119.070 -0.067 0.000 2.525 235 H HA 0.121 4.676 4.556 -0.003 0.000 0.339 235 H C -0.100 175.190 175.328 -0.063 0.000 1.109 235 H CA -0.093 55.919 56.048 -0.060 0.000 1.352 235 H CB 0.764 30.506 29.762 -0.033 0.000 1.461 235 H HN 0.336 nan 8.280 nan 0.000 0.533 236 D N 2.033 122.466 120.400 0.055 0.000 2.362 236 D HA 0.079 4.718 4.640 -0.003 0.000 0.242 236 D C 0.271 176.564 176.300 -0.011 0.000 1.132 236 D CA -0.045 53.955 54.000 0.001 0.000 0.907 236 D CB 1.141 41.935 40.800 -0.009 0.000 1.195 236 D HN 0.290 nan 8.370 nan 0.000 0.429 237 L N 0.901 122.087 121.223 -0.061 0.000 2.379 237 L HA 0.288 4.626 4.340 -0.003 0.000 0.269 237 L C 0.554 177.349 176.870 -0.125 0.000 1.084 237 L CA -0.138 54.638 54.840 -0.106 0.000 0.802 237 L CB 0.672 42.640 42.059 -0.153 0.000 1.175 237 L HN 0.362 nan 8.230 nan 0.000 0.448 238 D N 1.327 121.647 120.400 -0.133 0.000 3.486 238 D HA 0.143 4.781 4.640 -0.003 0.000 0.294 238 D C -0.562 175.660 176.300 -0.130 0.000 1.593 238 D CA -0.257 53.667 54.000 -0.126 0.000 0.776 238 D CB 0.329 41.084 40.800 -0.075 0.000 1.353 238 D HN 0.344 nan 8.370 nan 0.000 0.608 239 I N 0.873 121.359 120.570 -0.141 0.000 2.634 239 I HA 0.163 4.331 4.170 -0.003 0.000 0.284 239 I C 0.295 176.381 176.117 -0.051 0.000 1.124 239 I CA -0.440 60.792 61.300 -0.113 0.000 1.417 239 I CB 0.558 38.523 38.000 -0.058 0.000 1.396 239 I HN -0.046 nan 8.210 nan 0.000 0.571 240 K N 8.983 129.293 120.400 -0.150 0.000 2.350 240 K HA 0.246 4.564 4.320 -0.003 0.000 0.279 240 K C -2.085 174.527 176.600 0.019 0.000 1.027 240 K CA -1.402 54.833 56.287 -0.087 0.000 0.969 240 K CB 0.641 33.030 32.500 -0.184 0.000 0.954 240 K HN 0.345 nan 8.250 nan 0.000 0.474 241 P HA -0.008 nan 4.420 nan 0.000 0.245 241 P C -1.149 176.110 177.300 -0.070 0.000 1.670 241 P CA 0.136 63.211 63.100 -0.041 0.000 1.146 241 P CB -0.166 31.496 31.700 -0.064 0.000 1.954 242 T N 1.713 116.235 114.554 -0.055 0.000 2.807 242 T HA 0.305 4.653 4.350 -0.003 0.000 0.279 242 T C 0.496 175.149 174.700 -0.078 0.000 0.993 242 T CA -0.601 61.473 62.100 -0.044 0.000 0.970 242 T CB 1.722 70.593 68.868 0.006 0.000 0.950 242 T HN 0.147 nan 8.240 nan 0.000 0.441 243 V N 2.306 122.167 119.914 -0.088 0.000 2.872 243 V HA 0.362 4.480 4.120 -0.003 0.000 0.307 243 V C 0.522 176.558 176.094 -0.098 0.000 1.072 243 V CA -0.594 61.639 62.300 -0.112 0.000 1.148 243 V CB -0.312 31.445 31.823 -0.110 0.000 0.954 243 V HN 0.792 nan 8.190 nan 0.000 0.490 244 I N 4.696 125.198 120.570 -0.113 0.000 2.710 244 I HA 0.300 4.468 4.170 -0.003 0.000 0.286 244 I C 0.818 176.883 176.117 -0.086 0.000 1.181 244 I CA 0.980 62.216 61.300 -0.107 0.000 1.430 244 I CB 0.843 38.795 38.000 -0.080 0.000 1.367 244 I HN 1.083 nan 8.210 nan 0.000 0.577 245 S N 5.214 120.839 115.700 -0.125 0.000 2.595 245 S HA 0.553 5.022 4.470 -0.003 0.000 0.281 245 S C -0.918 173.574 174.600 -0.180 0.000 1.117 245 S CA -0.939 57.208 58.200 -0.088 0.000 0.873 245 S CB 2.095 65.248 63.200 -0.078 0.000 1.108 245 S HN 0.553 nan 8.310 nan 0.000 0.477 246 H N 0.404 119.371 119.070 -0.172 0.000 2.679 246 H HA 0.629 5.183 4.556 -0.003 0.000 0.367 246 H C -0.563 174.672 175.328 -0.155 0.000 1.162 246 H CA -0.739 55.182 56.048 -0.212 0.000 1.181 246 H CB 2.145 31.817 29.762 -0.150 0.000 1.693 246 H HN 0.693 nan 8.280 nan 0.000 0.538 247 R N 2.088 122.544 120.500 -0.073 0.000 2.574 247 R HA 0.360 4.699 4.340 -0.003 0.000 0.288 247 R C -2.005 174.430 176.300 0.226 0.000 1.004 247 R CA -0.858 55.298 56.100 0.094 0.000 0.895 247 R CB 1.344 31.724 30.300 0.134 0.000 1.191 247 R HN 0.334 nan 8.270 nan 0.000 0.444 248 L N 3.738 125.182 121.223 0.368 0.000 2.376 248 L HA 0.447 4.785 4.340 -0.003 0.000 0.275 248 L C -1.442 175.702 176.870 0.457 0.000 0.987 248 L CA -0.527 54.546 54.840 0.388 0.000 0.828 248 L CB 1.420 43.585 42.059 0.176 0.000 1.249 248 L HN 0.775 nan 8.230 nan 0.000 0.409 249 H N 4.174 123.396 119.070 0.254 0.000 2.458 249 H HA 0.542 5.096 4.556 -0.003 0.000 0.330 249 H C -1.597 173.693 175.328 -0.064 0.000 1.111 249 H CA -0.343 55.749 56.048 0.074 0.000 1.245 249 H CB 0.954 30.510 29.762 -0.343 0.000 1.456 249 H HN 0.511 nan 8.280 nan 0.000 0.488 250 F N 6.836 126.462 119.950 -0.540 0.000 2.311 250 F HA 0.270 4.795 4.527 -0.003 0.000 0.371 250 F C -1.570 173.832 175.800 -0.663 0.000 1.083 250 F CA -2.024 55.730 58.000 -0.410 0.000 1.113 250 F CB 1.565 40.455 39.000 -0.183 0.000 1.349 250 F HN 0.622 nan 8.300 nan 0.000 0.470 251 P HA -0.185 nan 4.420 nan 0.000 0.216 251 P C 0.444 177.708 177.300 -0.060 0.000 1.150 251 P CA 1.507 64.475 63.100 -0.221 0.000 0.843 251 P CB 0.230 31.902 31.700 -0.046 0.000 0.787 252 E N -0.806 119.385 120.200 -0.014 0.000 2.451 252 E HA 0.331 4.679 4.350 -0.003 0.000 0.194 252 E C 0.932 177.553 176.600 0.035 0.000 1.027 252 E CA -0.047 56.367 56.400 0.024 0.000 0.914 252 E CB -0.072 29.651 29.700 0.039 0.000 1.054 252 E HN 0.113 nan 8.360 nan 0.000 0.461 253 G N 0.617 109.436 108.800 0.033 0.000 2.698 253 G HA2 -0.179 3.780 3.960 -0.003 0.000 0.233 253 G HA3 -0.179 3.780 3.960 -0.003 0.000 0.233 253 G C 0.660 175.546 174.900 -0.023 0.000 1.352 253 G CA -0.284 44.816 45.100 -0.001 0.000 0.879 253 G HN 0.693 nan 8.290 nan 0.000 0.567 254 G N -2.297 106.421 108.800 -0.136 0.000 2.132 254 G HA2 0.050 4.008 3.960 -0.003 0.000 0.228 254 G HA3 0.050 4.008 3.960 -0.003 0.000 0.228 254 G C 1.688 176.291 174.900 -0.494 0.000 1.000 254 G CA 1.679 46.667 45.100 -0.187 0.000 0.693 254 G HN 2.455 nan 8.290 nan 0.000 0.515 255 S N -0.768 114.433 115.700 -0.832 0.000 2.368 255 S HA -0.001 4.467 4.470 -0.003 0.000 0.224 255 S C 2.243 176.427 174.600 -0.694 0.000 1.029 255 S CA 1.582 58.945 58.200 -1.396 0.000 0.988 255 S CB -0.180 62.352 63.200 -1.112 0.000 0.838 255 S HN 1.032 nan 8.310 nan 0.000 0.462 256 L N 2.265 123.222 121.223 -0.444 0.000 2.083 256 L HA 0.160 4.499 4.340 -0.003 0.000 0.209 256 L C 2.657 179.360 176.870 -0.278 0.000 1.083 256 L CA 1.613 56.259 54.840 -0.323 0.000 0.752 256 L CB -1.343 40.562 42.059 -0.257 0.000 0.899 256 L HN 0.371 nan 8.230 nan 0.000 0.433 257 A N -0.642 122.031 122.820 -0.245 0.000 1.898 257 A HA -0.056 4.262 4.320 -0.003 0.000 0.216 257 A C 2.433 179.823 177.584 -0.324 0.000 1.181 257 A CA 1.710 53.624 52.037 -0.205 0.000 0.620 257 A CB -1.080 17.844 19.000 -0.127 0.000 0.819 257 A HN 0.547 nan 8.150 nan 0.000 0.442 258 A N -0.620 121.978 122.820 -0.370 0.000 1.898 258 A HA 0.040 4.359 4.320 -0.003 0.000 0.216 258 A C 2.110 179.510 177.584 -0.307 0.000 1.181 258 A CA 1.601 53.362 52.037 -0.460 0.000 0.620 258 A CB -0.583 18.408 19.000 -0.014 0.000 0.819 258 A HN 0.647 nan 8.150 nan 0.000 0.442 259 L N -0.113 120.995 121.223 -0.192 0.000 2.046 259 L HA -0.116 4.222 4.340 -0.003 0.000 0.208 259 L C 2.423 179.258 176.870 -0.057 0.000 1.077 259 L CA 2.827 57.644 54.840 -0.039 0.000 0.747 259 L CB -1.076 40.929 42.059 -0.089 0.000 0.896 259 L HN 0.358 nan 8.230 nan 0.000 0.432 260 T N -0.106 114.344 114.554 -0.173 0.000 2.746 260 T HA -0.142 4.207 4.350 -0.003 0.000 0.267 260 T C 1.913 176.518 174.700 -0.158 0.000 1.039 260 T CA 1.347 63.343 62.100 -0.172 0.000 1.142 260 T CB -0.555 68.193 68.868 -0.200 0.000 0.866 260 T HN 0.530 nan 8.240 nan 0.000 0.444 261 A N 1.423 124.089 122.820 -0.257 0.000 1.902 261 A HA -0.185 4.133 4.320 -0.003 0.000 0.217 261 A C 2.011 179.558 177.584 -0.061 0.000 1.181 261 A CA 2.348 54.226 52.037 -0.266 0.000 0.623 261 A CB -0.995 17.570 19.000 -0.725 0.000 0.818 261 A HN 0.740 nan 8.150 nan 0.000 0.443 262 H N -0.357 118.659 119.070 -0.090 0.000 2.321 262 H HA -0.114 4.440 4.556 -0.003 0.000 0.300 262 H C 2.000 177.374 175.328 0.077 0.000 1.087 262 H CA 2.303 58.416 56.048 0.109 0.000 1.319 262 H CB -0.289 29.558 29.762 0.143 0.000 1.379 262 H HN 0.565 nan 8.280 nan 0.000 0.501 263 Q N -0.392 119.216 119.800 -0.319 0.000 2.137 263 Q HA 0.055 4.393 4.340 -0.003 0.000 0.198 263 Q C 2.534 178.455 176.000 -0.131 0.000 0.960 263 Q CA 0.910 56.516 55.803 -0.328 0.000 0.847 263 Q CB 0.029 28.641 28.738 -0.210 0.000 0.915 263 Q HN 0.631 nan 8.270 nan 0.000 0.448 264 A N -0.076 122.697 122.820 -0.079 0.000 1.968 264 A HA -0.106 4.212 4.320 -0.003 0.000 0.217 264 A C 2.001 179.604 177.584 0.032 0.000 1.169 264 A CA 0.934 52.959 52.037 -0.021 0.000 0.638 264 A CB -0.257 18.734 19.000 -0.016 0.000 0.812 264 A HN 0.455 nan 8.150 nan 0.000 0.446 265 c N -2.799 115.824 118.600 0.038 0.000 2.865 265 c HA 0.336 4.905 4.570 -0.003 0.000 0.280 265 c C 0.761 174.944 174.090 0.156 0.000 1.255 265 c CA 0.374 56.749 56.329 0.078 0.000 1.705 265 c CB -1.180 41.353 42.510 0.039 0.000 2.080 265 c HN 0.830 nan 8.230 nan 0.000 0.591 266 H N 0.212 119.290 119.070 0.014 0.000 2.969 266 H HA -0.128 4.426 4.556 -0.003 0.000 0.347 266 H C -1.073 174.323 175.328 0.113 0.000 1.235 266 H CA 0.497 56.579 56.048 0.057 0.000 1.179 266 H CB -1.723 28.106 29.762 0.112 0.000 1.578 266 H HN 0.525 nan 8.280 nan 0.000 0.431 267 L N 3.620 124.854 121.223 0.017 0.000 2.431 267 L HA 0.510 4.848 4.340 -0.003 0.000 0.266 267 L C -2.055 174.946 176.870 0.218 0.000 0.978 267 L CA -2.039 52.806 54.840 0.007 0.000 0.822 267 L CB 2.408 44.404 42.059 -0.105 0.000 1.310 267 L HN 0.181 nan 8.230 nan 0.000 0.409 268 P HA -0.055 nan 4.420 nan 0.000 0.266 268 P C 0.531 177.886 177.300 0.092 0.000 1.195 268 P CA -0.254 62.923 63.100 0.129 0.000 0.768 268 P CB 1.213 32.985 31.700 0.120 0.000 0.838 269 L N 4.099 125.260 121.223 -0.103 0.000 2.046 269 L HA -0.196 4.143 4.340 -0.003 0.000 0.208 269 L C 2.302 179.275 176.870 0.172 0.000 1.077 269 L CA 1.940 56.785 54.840 0.009 0.000 0.747 269 L CB -1.312 40.604 42.059 -0.239 0.000 0.896 269 L HN 0.483 nan 8.230 nan 0.000 0.432 270 E N -2.438 117.791 120.200 0.048 0.000 2.463 270 E HA -0.182 4.166 4.350 -0.003 0.000 0.201 270 E C 1.551 178.151 176.600 0.000 0.000 1.045 270 E CA 1.230 57.654 56.400 0.040 0.000 0.872 270 E CB -0.702 29.037 29.700 0.066 0.000 0.797 270 E HN 0.461 nan 8.360 nan 0.000 0.538 271 T N 0.960 115.448 114.554 -0.110 0.000 2.788 271 T HA -0.105 4.243 4.350 -0.003 0.000 0.268 271 T C 0.972 175.445 174.700 -0.379 0.000 1.044 271 T CA 1.112 63.020 62.100 -0.320 0.000 1.139 271 T CB -0.266 68.173 68.868 -0.715 0.000 0.867 271 T HN 0.242 nan 8.240 nan 0.000 0.454 272 F N 1.654 121.651 119.950 0.079 0.000 2.748 272 F HA 0.087 4.612 4.527 -0.003 0.000 0.299 272 F C 2.378 178.265 175.800 0.145 0.000 1.154 272 F CA 0.525 58.622 58.000 0.161 0.000 1.446 272 F CB -0.644 38.484 39.000 0.213 0.000 1.112 272 F HN 0.182 nan 8.300 nan 0.000 0.584 273 T N -3.090 111.545 114.554 0.134 0.000 3.092 273 T HA 0.231 4.579 4.350 -0.003 0.000 0.258 273 T C 0.766 175.489 174.700 0.039 0.000 1.031 273 T CA -0.422 61.683 62.100 0.008 0.000 0.925 273 T CB -0.133 68.605 68.868 -0.217 0.000 1.036 273 T HN -0.037 nan 8.240 nan 0.000 0.544 274 R N 1.138 121.676 120.500 0.063 0.000 2.623 274 R HA 0.126 4.464 4.340 -0.003 0.000 0.271 274 R C 1.360 177.736 176.300 0.127 0.000 1.043 274 R CA -0.142 56.008 56.100 0.083 0.000 1.083 274 R CB 0.263 30.602 30.300 0.065 0.000 0.974 274 R HN 0.276 nan 8.270 nan 0.000 0.436 275 H N 1.876 120.962 119.070 0.025 0.000 2.387 275 H HA -0.034 4.521 4.556 -0.003 0.000 0.299 275 H C 0.069 175.415 175.328 0.029 0.000 1.090 275 H CA 1.626 57.688 56.048 0.024 0.000 1.332 275 H CB 0.307 30.081 29.762 0.020 0.000 1.386 275 H HN 0.319 nan 8.280 nan 0.000 0.516 276 R N 0.748 121.247 120.500 -0.001 0.000 2.513 276 R HA 0.229 4.567 4.340 -0.003 0.000 0.301 276 R C -0.804 175.513 176.300 0.028 0.000 0.968 276 R CA -0.634 55.426 56.100 -0.066 0.000 0.872 276 R CB 1.081 31.342 30.300 -0.065 0.000 1.177 276 R HN 0.311 nan 8.270 nan 0.000 0.444 277 Q N 4.032 123.855 119.800 0.039 0.000 2.337 277 Q HA 0.159 4.497 4.340 -0.003 0.000 0.270 277 Q C -2.029 174.058 176.000 0.144 0.000 1.002 277 Q CA -1.472 54.406 55.803 0.125 0.000 0.888 277 Q CB 0.578 29.383 28.738 0.111 0.000 1.222 277 Q HN 0.379 nan 8.270 nan 0.000 0.400 278 P HA 0.109 nan 4.420 nan 0.000 0.275 278 P C -0.841 176.591 177.300 0.220 0.000 1.228 278 P CA 0.009 63.235 63.100 0.211 0.000 0.786 278 P CB 0.734 32.648 31.700 0.357 0.000 0.927 279 R N 1.087 121.685 120.500 0.163 0.000 2.604 279 R HA 0.543 4.881 4.340 -0.003 0.000 0.287 279 R C 0.973 177.360 176.300 0.145 0.000 0.970 279 R CA -0.260 55.926 56.100 0.145 0.000 0.946 279 R CB 1.175 31.528 30.300 0.089 0.000 1.127 279 R HN 0.764 nan 8.270 nan 0.000 0.473 280 G N 1.166 110.055 108.800 0.148 0.000 2.189 280 G HA2 -0.251 3.707 3.960 -0.003 0.000 0.267 280 G HA3 -0.251 3.707 3.960 -0.003 0.000 0.267 280 G C -0.336 174.675 174.900 0.186 0.000 0.975 280 G CA 0.121 45.300 45.100 0.131 0.000 0.644 280 G HN 0.662 nan 8.290 nan 0.000 0.537 281 W N 2.819 124.126 121.300 0.012 0.000 2.724 281 W HA 0.436 5.095 4.660 -0.003 0.000 0.347 281 W C 1.051 177.566 176.519 -0.007 0.000 1.338 281 W CA -0.027 57.310 57.345 -0.013 0.000 1.450 281 W CB -0.034 29.395 29.460 -0.053 0.000 1.534 281 W HN 0.500 nan 8.180 nan 0.000 0.508 282 E N 2.584 123.011 120.200 0.378 0.000 2.049 282 E HA -0.376 3.972 4.350 -0.003 0.000 0.198 282 E C 1.717 178.428 176.600 0.184 0.000 1.007 282 E CA 2.022 58.560 56.400 0.230 0.000 0.809 282 E CB 0.079 29.878 29.700 0.165 0.000 0.749 282 E HN 0.475 nan 8.360 nan 0.000 0.450 283 Q N 0.248 120.200 119.800 0.252 0.000 2.170 283 Q HA -0.147 4.192 4.340 -0.003 0.000 0.203 283 Q C 1.987 177.862 176.000 -0.208 0.000 0.976 283 Q CA 1.093 56.931 55.803 0.058 0.000 0.858 283 Q CB -0.266 28.554 28.738 0.138 0.000 0.907 283 Q HN 0.374 nan 8.270 nan 0.000 0.433 284 L N 0.090 120.991 121.223 -0.537 0.000 2.109 284 L HA -0.045 4.293 4.340 -0.003 0.000 0.207 284 L C 1.729 178.389 176.870 -0.351 0.000 1.086 284 L CA 1.792 56.176 54.840 -0.759 0.000 0.760 284 L CB -0.389 40.962 42.059 -1.179 0.000 0.910 284 L HN 0.137 nan 8.230 nan 0.000 0.437 285 E N -0.516 119.637 120.200 -0.079 0.000 2.107 285 E HA -0.158 4.191 4.350 -0.003 0.000 0.191 285 E C 2.113 178.762 176.600 0.082 0.000 0.982 285 E CA 1.022 57.474 56.400 0.087 0.000 0.809 285 E CB -0.057 29.722 29.700 0.131 0.000 0.756 285 E HN 0.675 nan 8.360 nan 0.000 0.459 286 Q N -1.006 118.825 119.800 0.051 0.000 2.297 286 Q HA 0.032 4.370 4.340 -0.003 0.000 0.203 286 Q C 2.021 178.053 176.000 0.053 0.000 0.931 286 Q CA 0.734 56.574 55.803 0.062 0.000 0.885 286 Q CB 0.437 29.216 28.738 0.069 0.000 0.991 286 Q HN 0.224 nan 8.270 nan 0.000 0.498 287 c N -1.152 117.460 118.600 0.021 0.000 2.403 287 c HA 0.309 4.878 4.570 -0.003 0.000 0.380 287 c C 2.574 176.672 174.090 0.012 0.000 1.490 287 c CA 0.728 57.073 56.329 0.026 0.000 2.457 287 c CB -0.462 42.065 42.510 0.028 0.000 2.341 287 c HN 0.605 nan 8.230 nan 0.000 0.626 288 G N -0.252 108.517 108.800 -0.051 0.000 2.628 288 G HA2 -0.254 3.704 3.960 -0.003 0.000 0.217 288 G HA3 -0.254 3.704 3.960 -0.003 0.000 0.217 288 G C 1.402 176.366 174.900 0.107 0.000 1.240 288 G CA 1.661 46.764 45.100 0.005 0.000 0.792 288 G HN 0.686 nan 8.290 nan 0.000 0.593 289 Y N 1.565 121.951 120.300 0.144 0.000 2.242 289 Y HA -0.065 4.483 4.550 -0.003 0.000 0.291 289 Y C 0.524 176.460 175.900 0.061 0.000 1.137 289 Y CA 0.715 58.891 58.100 0.127 0.000 1.181 289 Y CB -0.738 37.778 38.460 0.094 0.000 0.989 289 Y HN 0.307 nan 8.280 nan 0.000 0.527 290 P HA -0.171 nan 4.420 nan 0.000 0.216 290 P C 1.672 179.022 177.300 0.084 0.000 1.153 290 P CA 1.435 64.607 63.100 0.120 0.000 0.848 290 P CB 0.038 31.794 31.700 0.094 0.000 0.787 291 V N -0.248 119.701 119.914 0.058 0.000 2.358 291 V HA -0.252 3.866 4.120 -0.003 0.000 0.246 291 V C 2.672 178.758 176.094 -0.012 0.000 1.047 291 V CA 1.784 64.094 62.300 0.016 0.000 1.035 291 V CB -1.184 30.628 31.823 -0.018 0.000 0.658 291 V HN 0.183 nan 8.190 nan 0.000 0.452 292 Q N 0.301 120.083 119.800 -0.030 0.000 2.050 292 Q HA -0.280 4.059 4.340 -0.003 0.000 0.202 292 Q C 2.471 178.482 176.000 0.018 0.000 0.980 292 Q CA 2.154 57.918 55.803 -0.064 0.000 0.840 292 Q CB -0.152 28.570 28.738 -0.027 0.000 0.898 292 Q HN 0.579 nan 8.270 nan 0.000 0.424 293 R N -0.121 120.418 120.500 0.065 0.000 2.096 293 R HA -0.167 4.171 4.340 -0.003 0.000 0.235 293 R C 2.331 178.668 176.300 0.063 0.000 1.127 293 R CA 1.222 57.358 56.100 0.060 0.000 0.968 293 R CB -0.281 30.059 30.300 0.066 0.000 0.861 293 R HN 0.341 nan 8.270 nan 0.000 0.440 294 L N 0.465 121.730 121.223 0.070 0.000 2.046 294 L HA -0.125 4.214 4.340 -0.003 0.000 0.208 294 L C 2.064 179.018 176.870 0.140 0.000 1.077 294 L CA 1.524 56.420 54.840 0.094 0.000 0.747 294 L CB -0.326 41.784 42.059 0.086 0.000 0.896 294 L HN 0.023 nan 8.230 nan 0.000 0.432 295 V N -0.235 119.755 119.914 0.126 0.000 2.358 295 V HA -0.232 3.886 4.120 -0.003 0.000 0.246 295 V C 2.759 178.970 176.094 0.195 0.000 1.047 295 V CA 1.421 63.848 62.300 0.212 0.000 1.035 295 V CB -1.265 30.621 31.823 0.105 0.000 0.658 295 V HN 0.581 nan 8.190 nan 0.000 0.452 296 A N 0.008 122.888 122.820 0.099 0.000 1.883 296 A HA -0.183 4.135 4.320 -0.003 0.000 0.217 296 A C 2.220 179.841 177.584 0.062 0.000 1.186 296 A CA 1.898 53.975 52.037 0.066 0.000 0.624 296 A CB -0.571 18.451 19.000 0.036 0.000 0.822 296 A HN 0.501 nan 8.150 nan 0.000 0.444 297 L N -2.453 118.809 121.223 0.064 0.000 2.046 297 L HA -0.199 4.139 4.340 -0.003 0.000 0.208 297 L C 2.600 179.473 176.870 0.005 0.000 1.077 297 L CA 1.776 56.634 54.840 0.030 0.000 0.747 297 L CB -0.639 41.441 42.059 0.035 0.000 0.896 297 L HN 0.559 nan 8.230 nan 0.000 0.432 298 Y N 0.623 120.876 120.300 -0.078 0.000 2.181 298 Y HA -0.227 4.321 4.550 -0.003 0.000 0.288 298 Y C 2.354 178.075 175.900 -0.298 0.000 1.146 298 Y CA 1.479 59.449 58.100 -0.217 0.000 1.164 298 Y CB -0.104 38.179 38.460 -0.295 0.000 0.982 298 Y HN 0.003 nan 8.280 nan 0.000 0.515 299 L N -0.799 120.440 121.223 0.027 0.000 2.093 299 L HA -0.197 4.141 4.340 -0.003 0.000 0.208 299 L C 2.709 179.533 176.870 -0.077 0.000 1.085 299 L CA 1.102 55.933 54.840 -0.016 0.000 0.755 299 L CB -0.874 41.245 42.059 0.100 0.000 0.904 299 L HN 0.271 nan 8.230 nan 0.000 0.435 300 A N 0.041 122.822 122.820 -0.064 0.000 1.930 300 A HA -0.085 4.234 4.320 -0.003 0.000 0.217 300 A C 2.384 179.899 177.584 -0.115 0.000 1.175 300 A CA 1.418 53.414 52.037 -0.070 0.000 0.627 300 A CB -0.610 18.362 19.000 -0.047 0.000 0.815 300 A HN 0.370 nan 8.150 nan 0.000 0.443 301 A N -0.889 121.822 122.820 -0.182 0.000 2.248 301 A HA 0.125 4.443 4.320 -0.003 0.000 0.210 301 A C 1.091 178.531 177.584 -0.240 0.000 1.174 301 A CA 0.556 52.459 52.037 -0.223 0.000 0.750 301 A CB -0.545 18.266 19.000 -0.314 0.000 0.780 301 A HN 0.525 nan 8.150 nan 0.000 0.478 302 R N -1.846 118.523 120.500 -0.219 0.000 3.322 302 R HA -0.173 4.165 4.340 -0.003 0.000 0.253 302 R C -1.116 175.042 176.300 -0.237 0.000 0.987 302 R CA 0.574 56.564 56.100 -0.184 0.000 0.666 302 R CB -2.216 28.015 30.300 -0.115 0.000 1.072 302 R HN 0.500 nan 8.270 nan 0.000 0.447 303 L N 0.887 121.872 121.223 -0.398 0.000 2.309 303 L HA 0.264 4.602 4.340 -0.003 0.000 0.282 303 L C 0.937 177.634 176.870 -0.288 0.000 1.036 303 L CA -0.519 54.067 54.840 -0.424 0.000 0.806 303 L CB 1.863 43.425 42.059 -0.828 0.000 1.220 303 L HN 0.193 nan 8.230 nan 0.000 0.429 304 S N 0.540 116.168 115.700 -0.120 0.000 2.531 304 S HA 0.039 4.507 4.470 -0.003 0.000 0.279 304 S C 0.625 175.279 174.600 0.090 0.000 1.305 304 S CA -0.540 57.653 58.200 -0.011 0.000 1.058 304 S CB 0.313 63.538 63.200 0.041 0.000 0.899 304 S HN 0.620 nan 8.310 nan 0.000 0.493 305 W N 2.100 123.523 121.300 0.205 0.000 2.359 305 W HA -0.167 4.491 4.660 -0.003 0.000 0.275 305 W C 1.904 178.471 176.519 0.080 0.000 1.217 305 W CA 1.076 58.491 57.345 0.117 0.000 1.196 305 W CB -0.660 28.797 29.460 -0.006 0.000 1.129 305 W HN 0.931 nan 8.180 nan 0.000 0.566 306 N N 0.389 119.247 118.700 0.264 0.000 2.573 306 N HA -0.165 4.574 4.740 -0.003 0.000 0.187 306 N C 0.937 176.538 175.510 0.152 0.000 1.107 306 N CA 1.086 54.244 53.050 0.180 0.000 0.918 306 N CB -0.721 37.846 38.487 0.132 0.000 0.966 306 N HN 0.311 nan 8.380 nan 0.000 0.448 307 Q N -0.326 119.578 119.800 0.172 0.000 2.188 307 Q HA 0.259 4.597 4.340 -0.003 0.000 0.212 307 Q C 0.888 177.006 176.000 0.196 0.000 0.846 307 Q CA -0.247 55.641 55.803 0.142 0.000 0.989 307 Q CB 0.698 29.489 28.738 0.088 0.000 1.114 307 Q HN 0.165 nan 8.270 nan 0.000 0.488 308 V N 1.050 121.104 119.914 0.234 0.000 2.324 308 V HA -0.306 3.812 4.120 -0.003 0.000 0.250 308 V C 1.416 177.604 176.094 0.157 0.000 1.060 308 V CA 2.265 64.696 62.300 0.218 0.000 1.042 308 V CB -0.235 31.667 31.823 0.132 0.000 0.650 308 V HN 0.375 nan 8.190 nan 0.000 0.450 309 D N -0.782 119.688 120.400 0.118 0.000 2.104 309 D HA -0.196 4.442 4.640 -0.003 0.000 0.194 309 D C 2.218 178.562 176.300 0.074 0.000 0.994 309 D CA 1.410 55.462 54.000 0.085 0.000 0.830 309 D CB -0.223 40.621 40.800 0.074 0.000 0.959 309 D HN 0.410 nan 8.370 nan 0.000 0.452 310 Q N 0.162 120.007 119.800 0.074 0.000 2.123 310 Q HA -0.035 4.303 4.340 -0.003 0.000 0.199 310 Q C 1.971 178.002 176.000 0.051 0.000 0.966 310 Q CA 0.691 56.525 55.803 0.052 0.000 0.845 310 Q CB -0.189 28.574 28.738 0.043 0.000 0.907 310 Q HN 0.111 nan 8.270 nan 0.000 0.439 311 V N 0.304 120.266 119.914 0.079 0.000 2.407 311 V HA -0.253 3.866 4.120 -0.003 0.000 0.248 311 V C 2.112 178.250 176.094 0.073 0.000 1.055 311 V CA 1.747 64.090 62.300 0.072 0.000 1.049 311 V CB -0.457 31.457 31.823 0.152 0.000 0.662 311 V HN 0.384 nan 8.190 nan 0.000 0.455 312 I N -0.878 119.746 120.570 0.089 0.000 2.286 312 I HA -0.171 3.998 4.170 -0.003 0.000 0.245 312 I C 2.752 178.889 176.117 0.034 0.000 1.104 312 I CA 1.272 62.609 61.300 0.062 0.000 1.397 312 I CB -0.410 37.625 38.000 0.058 0.000 1.072 312 I HN 0.172 nan 8.210 nan 0.000 0.417 313 R N 0.730 121.249 120.500 0.032 0.000 2.083 313 R HA -0.179 4.160 4.340 -0.003 0.000 0.237 313 R C 2.086 178.393 176.300 0.012 0.000 1.137 313 R CA 1.745 57.856 56.100 0.018 0.000 0.951 313 R CB -0.475 29.836 30.300 0.019 0.000 0.851 313 R HN 0.372 nan 8.270 nan 0.000 0.434 314 N N 0.547 119.255 118.700 0.013 0.000 2.166 314 N HA -0.119 4.619 4.740 -0.003 0.000 0.186 314 N C 1.576 177.087 175.510 0.001 0.000 1.019 314 N CA 1.479 54.532 53.050 0.004 0.000 0.856 314 N CB -0.332 38.154 38.487 -0.002 0.000 0.993 314 N HN 0.223 nan 8.380 nan 0.000 0.426 315 A N 0.566 123.390 122.820 0.006 0.000 1.930 315 A HA -0.018 4.301 4.320 -0.003 0.000 0.217 315 A C 2.156 179.742 177.584 0.003 0.000 1.175 315 A CA 0.917 52.957 52.037 0.005 0.000 0.627 315 A CB -0.559 18.450 19.000 0.014 0.000 0.815 315 A HN 0.229 nan 8.150 nan 0.000 0.443 316 L N -1.233 119.992 121.223 0.004 0.000 2.270 316 L HA -0.028 4.311 4.340 -0.003 0.000 0.210 316 L C 2.976 179.845 176.870 -0.002 0.000 1.104 316 L CA 0.710 55.549 54.840 -0.001 0.000 0.804 316 L CB -0.507 41.549 42.059 -0.005 0.000 0.937 316 L HN 0.415 nan 8.230 nan 0.000 0.450 317 A N -0.958 121.861 122.820 -0.001 0.000 1.898 317 A HA -0.102 4.217 4.320 -0.003 0.000 0.216 317 A C 1.514 179.097 177.584 -0.003 0.000 1.181 317 A CA 1.334 53.370 52.037 -0.002 0.000 0.620 317 A CB -0.166 18.833 19.000 -0.001 0.000 0.819 317 A HN 0.280 nan 8.150 nan 0.000 0.442 318 S N 0.765 116.463 115.700 -0.003 0.000 2.707 318 S HA 0.507 4.975 4.470 -0.003 0.000 0.312 318 S C -3.013 171.585 174.600 -0.004 0.000 1.116 318 S CA -1.881 56.317 58.200 -0.004 0.000 1.078 318 S CB 1.285 64.481 63.200 -0.006 0.000 0.997 318 S HN 0.188 nan 8.310 nan 0.000 0.477 319 P HA 0.241 nan 4.420 nan 0.000 0.268 319 P C 0.903 178.201 177.300 -0.004 0.000 1.205 319 P CA 0.909 64.007 63.100 -0.002 0.000 0.771 319 P CB 0.595 32.294 31.700 -0.001 0.000 0.858 320 G N 1.433 110.231 108.800 -0.004 0.000 2.179 320 G HA2 -0.229 3.729 3.960 -0.003 0.000 0.260 320 G HA3 -0.229 3.729 3.960 -0.003 0.000 0.260 320 G C 0.288 175.182 174.900 -0.009 0.000 0.977 320 G CA 0.403 45.499 45.100 -0.006 0.000 0.641 320 G HN 0.923 nan 8.290 nan 0.000 0.533 321 S N -1.221 114.472 115.700 -0.010 0.000 2.722 321 S HA 0.707 5.175 4.470 -0.003 0.000 0.292 321 S C 1.547 176.136 174.600 -0.019 0.000 1.135 321 S CA 0.647 58.838 58.200 -0.015 0.000 1.003 321 S CB 1.751 64.943 63.200 -0.014 0.000 1.067 321 S HN 2.182 nan 8.310 nan 0.000 0.546 322 G N -0.181 108.603 108.800 -0.028 0.000 2.189 322 G HA2 0.148 4.107 3.960 -0.003 0.000 0.267 322 G HA3 0.148 4.107 3.960 -0.003 0.000 0.267 322 G C 1.395 176.270 174.900 -0.042 0.000 0.975 322 G CA 0.595 45.672 45.100 -0.039 0.000 0.644 322 G HN 2.359 nan 8.290 nan 0.000 0.537 323 G N -0.104 108.677 108.800 -0.032 0.000 2.601 323 G HA2 -0.200 3.759 3.960 -0.003 0.000 0.261 323 G HA3 -0.200 3.759 3.960 -0.003 0.000 0.261 323 G C 0.656 175.542 174.900 -0.023 0.000 1.289 323 G CA 0.801 45.883 45.100 -0.030 0.000 0.920 323 G HN 0.685 nan 8.290 nan 0.000 0.571 324 D N -0.678 119.708 120.400 -0.022 0.000 2.149 324 D HA -0.123 4.516 4.640 -0.003 0.000 0.194 324 D C 2.530 178.826 176.300 -0.007 0.000 1.001 324 D CA 1.721 55.714 54.000 -0.013 0.000 0.849 324 D CB -0.183 40.609 40.800 -0.013 0.000 0.939 324 D HN 0.411 nan 8.370 nan 0.000 0.449 325 L N 0.669 121.880 121.223 -0.020 0.000 2.017 325 L HA -0.012 4.327 4.340 -0.003 0.000 0.208 325 L C 2.231 179.106 176.870 0.008 0.000 1.073 325 L CA 2.297 57.133 54.840 -0.006 0.000 0.745 325 L CB -1.034 40.995 42.059 -0.051 0.000 0.894 325 L HN 0.066 nan 8.230 nan 0.000 0.432 326 G N -1.314 107.480 108.800 -0.009 0.000 2.442 326 G HA2 -0.333 3.625 3.960 -0.003 0.000 0.219 326 G HA3 -0.333 3.625 3.960 -0.003 0.000 0.219 326 G C 1.508 176.413 174.900 0.008 0.000 1.141 326 G CA 0.939 46.038 45.100 -0.000 0.000 0.763 326 G HN 0.464 nan 8.290 nan 0.000 0.554 327 E N 0.835 121.038 120.200 0.006 0.000 2.107 327 E HA 0.130 4.479 4.350 -0.003 0.000 0.191 327 E C 2.693 179.304 176.600 0.018 0.000 0.982 327 E CA 1.197 57.603 56.400 0.009 0.000 0.809 327 E CB -0.518 29.186 29.700 0.006 0.000 0.756 327 E HN 0.264 nan 8.360 nan 0.000 0.459 328 A N 0.497 123.331 122.820 0.024 0.000 1.933 328 A HA -0.139 4.179 4.320 -0.003 0.000 0.218 328 A C 2.298 179.905 177.584 0.037 0.000 1.175 328 A CA 1.437 53.495 52.037 0.034 0.000 0.628 328 A CB -0.659 18.367 19.000 0.043 0.000 0.814 328 A HN 0.341 nan 8.150 nan 0.000 0.444 329 I N -1.026 119.567 120.570 0.038 0.000 2.202 329 I HA -0.248 3.920 4.170 -0.003 0.000 0.242 329 I C 2.720 178.849 176.117 0.020 0.000 1.091 329 I CA 1.324 62.646 61.300 0.037 0.000 1.368 329 I CB -0.361 37.666 38.000 0.044 0.000 1.058 329 I HN 0.270 nan 8.210 nan 0.000 0.410 330 R N 0.718 121.227 120.500 0.015 0.000 2.120 330 R HA -0.172 4.167 4.340 -0.003 0.000 0.234 330 R C 2.064 178.370 176.300 0.009 0.000 1.123 330 R CA 1.224 57.328 56.100 0.008 0.000 0.975 330 R CB -0.284 30.020 30.300 0.006 0.000 0.866 330 R HN 0.499 nan 8.270 nan 0.000 0.446 331 E N 0.300 120.510 120.200 0.016 0.000 2.153 331 E HA -0.152 4.197 4.350 -0.003 0.000 0.194 331 E C 0.337 176.949 176.600 0.020 0.000 0.988 331 E CA 0.881 57.293 56.400 0.020 0.000 0.811 331 E CB 0.175 29.892 29.700 0.028 0.000 0.746 331 E HN 0.309 nan 8.360 nan 0.000 0.466 332 Q N -1.051 118.760 119.800 0.018 0.000 3.550 332 Q HA 0.116 4.455 4.340 -0.003 0.000 0.206 332 Q C -2.323 173.672 176.000 -0.007 0.000 0.891 332 Q CA -1.198 54.613 55.803 0.013 0.000 0.737 332 Q CB 1.821 30.578 28.738 0.033 0.000 1.417 332 Q HN -0.029 nan 8.270 nan 0.000 0.460 333 P HA -0.259 nan 4.420 nan 0.000 0.214 333 P C 1.005 178.230 177.300 -0.125 0.000 1.169 333 P CA 1.430 64.492 63.100 -0.063 0.000 0.908 333 P CB 0.422 32.078 31.700 -0.072 0.000 0.791 334 E N -0.542 119.532 120.200 -0.210 0.000 2.072 334 E HA -0.218 4.130 4.350 -0.003 0.000 0.191 334 E C 2.142 178.636 176.600 -0.178 0.000 0.985 334 E CA 1.095 57.218 56.400 -0.461 0.000 0.801 334 E CB -0.774 28.526 29.700 -0.666 0.000 0.750 334 E HN 0.426 nan 8.360 nan 0.000 0.452 335 Q N 0.426 120.225 119.800 -0.003 0.000 2.124 335 Q HA -0.093 4.245 4.340 -0.003 0.000 0.202 335 Q C 2.028 178.070 176.000 0.071 0.000 0.977 335 Q CA 1.489 57.352 55.803 0.100 0.000 0.850 335 Q CB -0.058 28.732 28.738 0.086 0.000 0.901 335 Q HN 0.227 nan 8.270 nan 0.000 0.429 336 A N 0.889 123.727 122.820 0.030 0.000 1.902 336 A HA -0.178 4.140 4.320 -0.003 0.000 0.217 336 A C 2.050 179.660 177.584 0.042 0.000 1.181 336 A CA 1.369 53.430 52.037 0.040 0.000 0.623 336 A CB -0.448 18.573 19.000 0.034 0.000 0.818 336 A HN 0.345 nan 8.150 nan 0.000 0.443 337 R N -1.165 119.343 120.500 0.012 0.000 2.073 337 R HA -0.128 4.210 4.340 -0.003 0.000 0.234 337 R C 2.170 178.536 176.300 0.110 0.000 1.134 337 R CA 1.498 57.619 56.100 0.035 0.000 0.952 337 R CB -0.654 29.623 30.300 -0.038 0.000 0.850 337 R HN 0.507 nan 8.270 nan 0.000 0.433 338 L N 0.859 122.200 121.223 0.197 0.000 1.970 338 L HA -0.141 4.197 4.340 -0.003 0.000 0.212 338 L C 2.295 179.208 176.870 0.073 0.000 1.071 338 L CA 2.195 57.169 54.840 0.224 0.000 0.751 338 L CB -0.835 41.411 42.059 0.312 0.000 0.889 338 L HN 0.138 nan 8.230 nan 0.000 0.432 339 A N -0.404 122.447 122.820 0.051 0.000 1.865 339 A HA -0.191 4.127 4.320 -0.003 0.000 0.217 339 A C 2.270 179.818 177.584 -0.060 0.000 1.191 339 A CA 2.223 54.252 52.037 -0.013 0.000 0.623 339 A CB -1.095 17.910 19.000 0.008 0.000 0.826 339 A HN 0.537 nan 8.150 nan 0.000 0.444 340 L N -0.084 121.133 121.223 -0.009 0.000 2.141 340 L HA -0.144 4.194 4.340 -0.003 0.000 0.209 340 L C 2.908 179.715 176.870 -0.104 0.000 1.094 340 L CA 1.717 56.551 54.840 -0.010 0.000 0.763 340 L CB -0.888 41.202 42.059 0.051 0.000 0.908 340 L HN 0.666 nan 8.230 nan 0.000 0.437 341 T N -2.511 112.007 114.554 -0.060 0.000 2.904 341 T HA -0.065 4.283 4.350 -0.003 0.000 0.267 341 T C 1.856 176.446 174.700 -0.183 0.000 1.059 341 T CA 0.579 62.635 62.100 -0.074 0.000 1.137 341 T CB -0.318 68.558 68.868 0.014 0.000 0.879 341 T HN 0.179 nan 8.240 nan 0.000 0.467 342 L N 0.968 122.073 121.223 -0.197 0.000 2.005 342 L HA 0.057 4.395 4.340 -0.003 0.000 0.207 342 L C 3.347 179.985 176.870 -0.387 0.000 1.072 342 L CA 1.343 56.026 54.840 -0.261 0.000 0.744 342 L CB -0.795 41.143 42.059 -0.201 0.000 0.895 342 L HN 0.365 nan 8.230 nan 0.000 0.433 343 A N -0.054 122.468 122.820 -0.497 0.000 1.908 343 A HA -0.217 4.101 4.320 -0.003 0.000 0.218 343 A C 2.503 179.398 177.584 -1.148 0.000 1.181 343 A CA 1.849 53.399 52.037 -0.811 0.000 0.627 343 A CB -0.799 17.616 19.000 -0.976 0.000 0.818 343 A HN 0.433 nan 8.150 nan 0.000 0.445 344 A N -0.123 122.063 122.820 -1.057 0.000 1.883 344 A HA 0.099 4.417 4.320 -0.003 0.000 0.217 344 A C 2.525 179.863 177.584 -0.410 0.000 1.186 344 A CA 2.338 53.950 52.037 -0.708 0.000 0.624 344 A CB -1.082 17.835 19.000 -0.139 0.000 0.822 344 A HN 1.127 nan 8.150 nan 0.000 0.444 345 A N -0.558 122.059 122.820 -0.339 0.000 1.933 345 A HA -0.131 4.187 4.320 -0.003 0.000 0.218 345 A C 1.993 179.423 177.584 -0.256 0.000 1.175 345 A CA 2.164 54.040 52.037 -0.268 0.000 0.628 345 A CB -0.422 18.370 19.000 -0.345 0.000 0.814 345 A HN 0.536 nan 8.150 nan 0.000 0.444 346 E N 0.031 120.041 120.200 -0.317 0.000 2.072 346 E HA -0.108 4.241 4.350 -0.003 0.000 0.190 346 E C 2.187 178.680 176.600 -0.178 0.000 0.982 346 E CA 1.455 57.713 56.400 -0.236 0.000 0.803 346 E CB -0.455 29.086 29.700 -0.264 0.000 0.755 346 E HN 0.442 nan 8.360 nan 0.000 0.453 347 S N -0.312 115.204 115.700 -0.307 0.000 2.382 347 S HA -0.191 4.277 4.470 -0.003 0.000 0.228 347 S C 1.985 176.606 174.600 0.035 0.000 1.027 347 S CA 1.557 59.663 58.200 -0.156 0.000 0.991 347 S CB -0.367 62.638 63.200 -0.325 0.000 0.823 347 S HN 0.442 nan 8.310 nan 0.000 0.469 348 E N 0.615 120.798 120.200 -0.027 0.000 2.077 348 E HA -0.168 4.181 4.350 -0.003 0.000 0.193 348 E C 2.426 179.049 176.600 0.038 0.000 0.989 348 E CA 0.782 57.202 56.400 0.033 0.000 0.800 348 E CB -0.187 29.520 29.700 0.011 0.000 0.746 348 E HN 0.451 nan 8.360 nan 0.000 0.452 349 R N -0.188 120.321 120.500 0.015 0.000 2.075 349 R HA -0.160 4.178 4.340 -0.003 0.000 0.232 349 R C 2.288 178.627 176.300 0.065 0.000 1.126 349 R CA 1.368 57.482 56.100 0.023 0.000 0.963 349 R CB -0.471 29.829 30.300 0.000 0.000 0.858 349 R HN 0.234 nan 8.270 nan 0.000 0.435 350 F N 1.176 121.098 119.950 -0.047 0.000 2.069 350 F HA -0.220 4.305 4.527 -0.003 0.000 0.298 350 F C 2.060 177.857 175.800 -0.005 0.000 1.113 350 F CA 1.662 59.646 58.000 -0.026 0.000 1.214 350 F CB -0.493 38.487 39.000 -0.034 0.000 0.978 350 F HN -0.200 nan 8.300 nan 0.000 0.474 351 V N 0.896 120.854 119.914 0.072 0.000 2.392 351 V HA -0.295 3.823 4.120 -0.003 0.000 0.249 351 V C 2.318 178.355 176.094 -0.094 0.000 1.059 351 V CA 2.274 64.556 62.300 -0.028 0.000 1.051 351 V CB -0.678 31.203 31.823 0.097 0.000 0.658 351 V HN 0.299 nan 8.190 nan 0.000 0.455 352 R N -0.542 119.927 120.500 -0.052 0.000 2.323 352 R HA -0.069 4.269 4.340 -0.003 0.000 0.198 352 R C 2.151 178.402 176.300 -0.082 0.000 0.988 352 R CA 0.342 56.412 56.100 -0.050 0.000 1.041 352 R CB -0.108 30.183 30.300 -0.016 0.000 0.926 352 R HN 0.476 nan 8.270 nan 0.000 0.476 353 Q N 0.492 120.207 119.800 -0.141 0.000 2.016 353 Q HA -0.021 4.318 4.340 -0.003 0.000 0.200 353 Q C 0.587 176.503 176.000 -0.140 0.000 0.978 353 Q CA 1.556 57.273 55.803 -0.144 0.000 0.833 353 Q CB 0.130 28.742 28.738 -0.210 0.000 0.895 353 Q HN 0.290 nan 8.270 nan 0.000 0.427 354 G N -2.851 105.834 108.800 -0.192 0.000 2.725 354 G HA2 0.386 4.344 3.960 -0.003 0.000 0.288 354 G HA3 0.386 4.344 3.960 -0.003 0.000 0.288 354 G C -0.095 174.730 174.900 -0.124 0.000 1.399 354 G CA 0.047 45.064 45.100 -0.138 0.000 0.859 354 G HN 0.026 nan 8.290 nan 0.000 0.479 355 T N 0.318 114.824 114.554 -0.080 0.000 2.867 355 T HA -0.015 4.333 4.350 -0.003 0.000 0.268 355 T C 2.310 176.977 174.700 -0.056 0.000 1.057 355 T CA 1.724 63.791 62.100 -0.056 0.000 1.136 355 T CB -0.188 68.659 68.868 -0.036 0.000 0.874 355 T HN 0.687 nan 8.240 nan 0.000 0.466 356 G N 1.631 110.391 108.800 -0.067 0.000 2.744 356 G HA2 -0.026 3.932 3.960 -0.003 0.000 0.211 356 G HA3 -0.026 3.932 3.960 -0.003 0.000 0.211 356 G C 0.444 175.307 174.900 -0.062 0.000 1.143 356 G CA -0.237 44.835 45.100 -0.047 0.000 0.788 356 G HN 0.332 nan 8.290 nan 0.000 0.534 357 N N 1.535 120.137 118.700 -0.163 0.000 2.479 357 N HA 0.447 5.185 4.740 -0.003 0.000 0.285 357 N C -1.028 174.446 175.510 -0.059 0.000 1.075 357 N CA -0.444 52.447 53.050 -0.265 0.000 0.967 357 N CB 1.929 39.875 38.487 -0.901 0.000 1.137 357 N HN 0.408 nan 8.380 nan 0.000 0.472 358 D N -2.010 118.483 120.400 0.155 0.000 2.559 358 D HA 0.163 4.801 4.640 -0.003 0.000 0.250 358 D C 0.634 177.108 176.300 0.290 0.000 1.135 358 D CA -0.706 53.399 54.000 0.175 0.000 0.955 358 D CB 0.975 41.844 40.800 0.116 0.000 1.442 358 D HN 0.370 nan 8.370 nan 0.000 0.471 359 E N 0.067 120.402 120.200 0.226 0.000 2.097 359 E HA -0.282 4.066 4.350 -0.003 0.000 0.196 359 E C 1.863 178.584 176.600 0.201 0.000 1.000 359 E CA 1.785 58.334 56.400 0.248 0.000 0.804 359 E CB -0.254 29.580 29.700 0.223 0.000 0.740 359 E HN 0.527 nan 8.360 nan 0.000 0.454 360 A N 0.390 123.299 122.820 0.148 0.000 1.902 360 A HA -0.092 4.226 4.320 -0.003 0.000 0.217 360 A C 2.403 180.042 177.584 0.090 0.000 1.181 360 A CA 1.664 53.763 52.037 0.102 0.000 0.623 360 A CB -1.067 17.978 19.000 0.076 0.000 0.818 360 A HN 0.450 nan 8.150 nan 0.000 0.443 361 G N -0.817 108.071 108.800 0.148 0.000 2.448 361 G HA2 0.105 4.063 3.960 -0.003 0.000 0.218 361 G HA3 0.105 4.063 3.960 -0.003 0.000 0.218 361 G C 1.608 176.442 174.900 -0.110 0.000 1.135 361 G CA 1.120 46.302 45.100 0.136 0.000 0.784 361 G HN 0.768 nan 8.290 nan 0.000 0.543 362 A N 1.142 123.828 122.820 -0.222 0.000 2.019 362 A HA 0.283 4.601 4.320 -0.003 0.000 0.219 362 A C 2.709 180.045 177.584 -0.413 0.000 1.164 362 A CA 1.943 53.529 52.037 -0.752 0.000 0.644 362 A CB -0.522 18.256 19.000 -0.371 0.000 0.805 362 A HN 0.692 nan 8.150 nan 0.000 0.449 363 A N -0.231 122.490 122.820 -0.165 0.000 2.067 363 A HA -0.101 4.217 4.320 -0.003 0.000 0.219 363 A C 1.539 179.013 177.584 -0.184 0.000 1.158 363 A CA 1.517 53.484 52.037 -0.115 0.000 0.661 363 A CB -0.242 18.755 19.000 -0.006 0.000 0.801 363 A HN 0.571 nan 8.150 nan 0.000 0.452 364 N N -1.126 117.467 118.700 -0.178 0.000 2.143 364 N HA 0.247 4.985 4.740 -0.003 0.000 0.222 364 N C 0.311 175.751 175.510 -0.117 0.000 1.264 364 N CA 0.542 53.505 53.050 -0.146 0.000 0.897 364 N CB 0.287 38.743 38.487 -0.052 0.000 1.092 364 N HN 0.366 nan 8.380 nan 0.000 0.516 365 A N 1.064 123.770 122.820 -0.189 0.000 2.483 365 A HA 0.127 4.446 4.320 -0.003 0.000 0.238 365 A C 0.143 177.730 177.584 0.006 0.000 1.070 365 A CA 0.071 52.057 52.037 -0.085 0.000 0.770 365 A CB 0.223 19.057 19.000 -0.277 0.000 1.008 365 A HN 0.038 nan 8.150 nan 0.000 0.497 366 D N -0.106 120.400 120.400 0.177 0.000 2.362 366 D HA 0.325 4.963 4.640 -0.003 0.000 0.238 366 D C -0.107 176.323 176.300 0.217 0.000 1.212 366 D CA 0.298 54.475 54.000 0.296 0.000 0.902 366 D CB 0.568 41.582 40.800 0.357 0.000 1.180 366 D HN 0.158 nan 8.370 nan 0.000 0.445 367 V N 1.562 121.650 119.914 0.291 0.000 2.398 367 V HA 0.283 4.401 4.120 -0.003 0.000 0.286 367 V C 0.130 176.338 176.094 0.189 0.000 1.026 367 V CA -0.717 61.701 62.300 0.196 0.000 0.868 367 V CB 1.812 33.765 31.823 0.216 0.000 0.982 367 V HN 0.198 nan 8.190 nan 0.000 0.443 368 V N 4.211 124.207 119.914 0.137 0.000 2.417 368 V HA 0.479 4.598 4.120 -0.003 0.000 0.291 368 V C 0.055 176.193 176.094 0.075 0.000 1.024 368 V CA -0.149 62.217 62.300 0.110 0.000 0.861 368 V CB 2.084 33.969 31.823 0.104 0.000 0.985 368 V HN 0.921 nan 8.190 nan 0.000 0.436 369 S N 6.441 122.180 115.700 0.065 0.000 2.478 369 S HA 0.704 5.173 4.470 -0.003 0.000 0.312 369 S C -0.544 174.071 174.600 0.024 0.000 1.094 369 S CA -0.525 57.697 58.200 0.036 0.000 1.081 369 S CB 1.075 64.277 63.200 0.004 0.000 1.007 369 S HN 0.496 nan 8.310 nan 0.000 0.475 370 L N 2.247 123.462 121.223 -0.015 0.000 2.325 370 L HA 0.527 4.865 4.340 -0.003 0.000 0.278 370 L C 0.123 176.935 176.870 -0.097 0.000 1.023 370 L CA -0.688 54.120 54.840 -0.053 0.000 0.811 370 L CB 1.475 43.489 42.059 -0.076 0.000 1.249 370 L HN 0.449 nan 8.230 nan 0.000 0.431 371 T N 1.504 116.003 114.554 -0.091 0.000 2.811 371 T HA 0.259 4.608 4.350 -0.003 0.000 0.309 371 T C -0.301 174.278 174.700 -0.201 0.000 1.005 371 T CA -0.279 61.757 62.100 -0.108 0.000 0.955 371 T CB -0.061 68.786 68.868 -0.035 0.000 0.970 371 T HN 0.496 nan 8.240 nan 0.000 0.496 372 c N 6.693 125.088 118.600 -0.341 0.000 2.307 372 c HA 0.461 5.030 4.570 -0.003 0.000 0.340 372 c C -2.032 171.947 174.090 -0.185 0.000 1.275 372 c CA -1.812 54.283 56.329 -0.391 0.000 1.811 372 c CB 0.397 42.387 42.510 -0.868 0.000 2.372 372 c HN 0.576 nan 8.230 nan 0.000 0.531 373 P HA 0.097 nan 4.420 nan 0.000 0.276 373 P C 0.789 178.199 177.300 0.182 0.000 1.230 373 P CA -0.038 63.071 63.100 0.015 0.000 0.776 373 P CB 0.572 32.240 31.700 -0.054 0.000 0.888 374 V N 0.991 121.020 119.914 0.192 0.000 3.129 374 V HA 0.031 4.149 4.120 -0.003 0.000 0.259 374 V C 1.478 177.594 176.094 0.037 0.000 1.116 374 V CA 1.745 64.144 62.300 0.165 0.000 1.127 374 V CB -1.343 30.535 31.823 0.091 0.000 0.742 374 V HN 0.462 nan 8.190 nan 0.000 0.474 375 A N 0.241 123.071 122.820 0.016 0.000 2.169 375 A HA 0.744 5.062 4.320 -0.003 0.000 0.210 375 A C 1.616 179.198 177.584 -0.003 0.000 1.168 375 A CA 0.615 52.644 52.037 -0.014 0.000 0.813 375 A CB -0.377 18.605 19.000 -0.029 0.000 0.861 375 A HN 0.899 nan 8.150 nan 0.000 0.481 376 A N -0.177 122.649 122.820 0.010 0.000 2.262 376 A HA 0.552 4.871 4.320 -0.003 0.000 0.273 376 A C 1.224 178.818 177.584 0.017 0.000 1.202 376 A CA 0.170 52.209 52.037 0.003 0.000 0.811 376 A CB -0.749 18.246 19.000 -0.007 0.000 1.159 376 A HN 0.698 nan 8.150 nan 0.000 0.505 377 G N -1.276 107.530 108.800 0.011 0.000 2.580 377 G HA2 0.404 4.362 3.960 -0.003 0.000 0.225 377 G HA3 0.404 4.362 3.960 -0.003 0.000 0.225 377 G C -0.078 174.842 174.900 0.032 0.000 1.521 377 G CA -0.404 44.704 45.100 0.013 0.000 1.068 377 G HN 0.800 nan 8.290 nan 0.000 0.564 378 E N -1.401 118.814 120.200 0.024 0.000 2.398 378 E HA 0.151 4.499 4.350 -0.003 0.000 0.263 378 E C -0.529 176.101 176.600 0.049 0.000 1.046 378 E CA -0.252 56.175 56.400 0.046 0.000 0.908 378 E CB 1.108 30.822 29.700 0.023 0.000 0.963 378 E HN 0.288 nan 8.360 nan 0.000 0.431 379 c N 3.464 122.112 118.600 0.079 0.000 2.322 379 c HA 0.495 5.063 4.570 -0.003 0.000 0.343 379 c C 0.165 174.264 174.090 0.015 0.000 1.190 379 c CA -0.401 55.949 56.329 0.035 0.000 1.704 379 c CB -1.832 40.690 42.510 0.020 0.000 2.293 379 c HN 0.601 nan 8.230 nan 0.000 0.523 380 A N 5.082 127.902 122.820 0.001 0.000 2.312 380 A HA 0.772 5.090 4.320 -0.003 0.000 0.326 380 A C 0.511 178.094 177.584 -0.002 0.000 1.172 380 A CA 0.011 52.049 52.037 0.003 0.000 0.821 380 A CB 0.759 19.760 19.000 0.002 0.000 1.166 380 A HN 1.131 nan 8.150 nan 0.000 0.493 381 G N 1.138 109.944 108.800 0.009 0.000 2.580 381 G HA2 0.574 4.532 3.960 -0.003 0.000 0.278 381 G HA3 0.574 4.532 3.960 -0.003 0.000 0.278 381 G C -2.178 172.735 174.900 0.021 0.000 1.212 381 G CA -1.206 43.902 45.100 0.014 0.000 0.939 381 G HN 0.637 nan 8.290 nan 0.000 0.513 382 P HA 0.170 nan 4.420 nan 0.000 0.272 382 P C 0.861 178.187 177.300 0.044 0.000 1.240 382 P CA 0.324 63.451 63.100 0.045 0.000 0.791 382 P CB 1.020 32.761 31.700 0.067 0.000 0.978 383 A N 1.445 124.288 122.820 0.038 0.000 1.948 383 A HA -0.205 4.114 4.320 -0.003 0.000 0.220 383 A C 1.467 179.069 177.584 0.031 0.000 1.177 383 A CA 1.994 54.046 52.037 0.025 0.000 0.636 383 A CB -1.133 17.875 19.000 0.012 0.000 0.815 383 A HN 0.505 nan 8.150 nan 0.000 0.449 384 D N -0.551 119.878 120.400 0.049 0.000 2.349 384 D HA 0.019 4.657 4.640 -0.003 0.000 0.224 384 D C 1.712 178.066 176.300 0.089 0.000 1.029 384 D CA 0.975 55.014 54.000 0.063 0.000 0.879 384 D CB -0.015 40.834 40.800 0.081 0.000 0.906 384 D HN 0.583 nan 8.370 nan 0.000 0.528 385 S N -1.171 114.578 115.700 0.082 0.000 2.575 385 S HA 0.113 4.581 4.470 -0.003 0.000 0.215 385 S C 2.004 176.659 174.600 0.091 0.000 0.966 385 S CA 0.071 58.331 58.200 0.100 0.000 0.911 385 S CB 0.180 63.431 63.200 0.086 0.000 0.780 385 S HN 0.155 nan 8.310 nan 0.000 0.514 386 G N 2.743 111.576 108.800 0.055 0.000 2.470 386 G HA2 -0.179 3.779 3.960 -0.003 0.000 0.220 386 G HA3 -0.179 3.779 3.960 -0.003 0.000 0.220 386 G C 0.923 175.828 174.900 0.008 0.000 1.121 386 G CA 0.970 46.079 45.100 0.015 0.000 0.766 386 G HN 0.768 nan 8.290 nan 0.000 0.553 387 D N -0.114 120.340 120.400 0.090 0.000 2.427 387 D HA 0.494 5.133 4.640 -0.003 0.000 0.224 387 D C 0.694 177.240 176.300 0.409 0.000 1.157 387 D CA 0.028 54.133 54.000 0.175 0.000 0.828 387 D CB 0.128 41.015 40.800 0.145 0.000 0.974 387 D HN 0.265 nan 8.370 nan 0.000 0.498 388 A N 0.122 123.162 122.820 0.366 0.000 2.386 388 A HA 0.665 4.983 4.320 -0.003 0.000 0.308 388 A C -0.352 177.426 177.584 0.323 0.000 1.128 388 A CA -0.847 51.382 52.037 0.320 0.000 0.789 388 A CB 1.069 20.198 19.000 0.215 0.000 1.325 388 A HN 0.202 nan 8.150 nan 0.000 0.437 389 L N 0.712 122.006 121.223 0.118 0.000 2.417 389 L HA 0.392 4.730 4.340 -0.003 0.000 0.268 389 L C -0.631 176.288 176.870 0.082 0.000 1.158 389 L CA -0.052 54.815 54.840 0.044 0.000 0.819 389 L CB 0.494 42.489 42.059 -0.108 0.000 1.112 389 L HN 0.529 nan 8.230 nan 0.000 0.458 390 L N 2.573 123.836 121.223 0.067 0.000 2.362 390 L HA 0.553 4.892 4.340 -0.003 0.000 0.271 390 L C -0.445 176.444 176.870 0.032 0.000 1.002 390 L CA -0.500 54.374 54.840 0.057 0.000 0.818 390 L CB 2.132 44.225 42.059 0.058 0.000 1.298 390 L HN 0.590 nan 8.230 nan 0.000 0.420 391 E N 2.517 122.740 120.200 0.037 0.000 2.246 391 E HA 0.418 4.766 4.350 -0.003 0.000 0.266 391 E C -1.223 175.385 176.600 0.014 0.000 0.880 391 E CA -0.795 55.628 56.400 0.038 0.000 0.762 391 E CB 1.643 31.390 29.700 0.077 0.000 1.180 391 E HN 0.491 nan 8.360 nan 0.000 0.416 392 R N 3.338 123.844 120.500 0.010 0.000 2.246 392 R HA 0.382 4.721 4.340 -0.003 0.000 0.332 392 R C -0.749 175.480 176.300 -0.117 0.000 0.974 392 R CA -0.705 55.353 56.100 -0.071 0.000 0.837 392 R CB 0.880 31.190 30.300 0.017 0.000 1.145 392 R HN 0.405 nan 8.270 nan 0.000 0.467 393 N N 2.980 121.539 118.700 -0.235 0.000 2.419 393 N HA 0.295 5.034 4.740 -0.003 0.000 0.277 393 N C -1.100 174.216 175.510 -0.323 0.000 1.006 393 N CA -0.146 52.819 53.050 -0.142 0.000 0.923 393 N CB 1.367 39.844 38.487 -0.018 0.000 1.140 393 N HN 0.380 nan 8.380 nan 0.000 0.488 394 Y N 0.232 120.583 120.300 0.085 0.000 2.665 394 Y HA 0.469 5.017 4.550 -0.003 0.000 0.336 394 Y C -1.924 174.056 175.900 0.134 0.000 1.085 394 Y CA -2.110 56.054 58.100 0.107 0.000 1.096 394 Y CB 0.667 39.189 38.460 0.103 0.000 1.301 394 Y HN 0.367 nan 8.280 nan 0.000 0.493 395 P HA 0.106 nan 4.420 nan 0.000 0.266 395 P C -0.439 176.999 177.300 0.230 0.000 1.195 395 P CA 0.057 63.339 63.100 0.302 0.000 0.768 395 P CB 0.540 32.491 31.700 0.418 0.000 0.838 396 T N -1.897 112.759 114.554 0.170 0.000 2.883 396 T HA 0.489 4.837 4.350 -0.003 0.000 0.284 396 T C 1.473 176.209 174.700 0.060 0.000 1.041 396 T CA -0.252 61.891 62.100 0.071 0.000 1.007 396 T CB 1.187 70.071 68.868 0.028 0.000 1.220 396 T HN 0.289 nan 8.240 nan 0.000 0.552 397 G N -0.140 108.615 108.800 -0.075 0.000 2.462 397 G HA2 0.013 3.971 3.960 -0.003 0.000 0.220 397 G HA3 0.013 3.971 3.960 -0.003 0.000 0.220 397 G C 1.653 176.450 174.900 -0.172 0.000 1.121 397 G CA 0.811 45.834 45.100 -0.128 0.000 0.758 397 G HN 1.155 nan 8.290 nan 0.000 0.559 398 A N 0.661 123.344 122.820 -0.228 0.000 2.024 398 A HA -0.040 4.278 4.320 -0.003 0.000 0.220 398 A C 2.078 179.655 177.584 -0.012 0.000 1.164 398 A CA 1.743 53.699 52.037 -0.137 0.000 0.643 398 A CB -0.244 18.803 19.000 0.078 0.000 0.806 398 A HN 0.488 nan 8.150 nan 0.000 0.451 399 E N -2.176 118.007 120.200 -0.029 0.000 2.474 399 E HA 0.094 4.442 4.350 -0.003 0.000 0.194 399 E C -0.426 175.909 176.600 -0.442 0.000 1.041 399 E CA 0.101 56.376 56.400 -0.209 0.000 0.874 399 E CB 0.112 29.623 29.700 -0.315 0.000 0.914 399 E HN 0.702 nan 8.360 nan 0.000 0.498 400 F N 0.082 119.980 119.950 -0.088 0.000 2.881 400 F HA 0.260 4.785 4.527 -0.003 0.000 0.343 400 F C 0.917 176.713 175.800 -0.008 0.000 1.233 400 F CA -0.134 57.812 58.000 -0.089 0.000 1.262 400 F CB 0.576 39.452 39.000 -0.207 0.000 0.980 400 F HN -0.083 nan 8.300 nan 0.000 0.506 401 L N -0.306 121.008 121.223 0.151 0.000 2.463 401 L HA 0.405 4.744 4.340 -0.003 0.000 0.219 401 L C 1.517 178.544 176.870 0.262 0.000 1.088 401 L CA 0.527 55.532 54.840 0.276 0.000 0.849 401 L CB -0.443 41.738 42.059 0.203 0.000 1.012 401 L HN 0.414 nan 8.230 nan 0.000 0.468 402 G N 0.620 109.497 108.800 0.128 0.000 2.642 402 G HA2 -0.212 3.746 3.960 -0.003 0.000 0.231 402 G HA3 -0.212 3.746 3.960 -0.003 0.000 0.231 402 G C -0.834 174.105 174.900 0.066 0.000 1.338 402 G CA -0.458 44.685 45.100 0.072 0.000 0.883 402 G HN 0.190 nan 8.290 nan 0.000 0.570 403 D N 0.855 121.274 120.400 0.032 0.000 2.294 403 D HA 0.540 5.178 4.640 -0.003 0.000 0.250 403 D C 1.097 177.413 176.300 0.026 0.000 1.058 403 D CA 1.063 55.080 54.000 0.027 0.000 0.950 403 D CB 1.208 42.012 40.800 0.006 0.000 1.158 403 D HN 1.848 nan 8.370 nan 0.000 0.453 404 G N -0.422 108.398 108.800 0.035 0.000 2.870 404 G HA2 0.305 4.263 3.960 -0.003 0.000 0.216 404 G HA3 0.305 4.263 3.960 -0.003 0.000 0.216 404 G C 0.521 175.456 174.900 0.057 0.000 0.973 404 G CA 0.464 45.584 45.100 0.034 0.000 0.807 404 G HN 1.057 nan 8.290 nan 0.000 0.573 405 G N -0.321 108.518 108.800 0.065 0.000 2.661 405 G HA2 0.258 4.216 3.960 -0.003 0.000 0.685 405 G HA3 0.258 4.216 3.960 -0.003 0.000 0.685 405 G C -0.759 174.198 174.900 0.094 0.000 1.298 405 G CA -0.093 45.047 45.100 0.065 0.000 0.855 405 G HN 0.605 nan 8.290 nan 0.000 0.560 406 D N -0.447 119.999 120.400 0.075 0.000 2.488 406 D HA 0.359 4.997 4.640 -0.003 0.000 0.238 406 D C 0.717 177.072 176.300 0.093 0.000 1.138 406 D CA 0.352 54.401 54.000 0.082 0.000 0.873 406 D CB 1.416 42.239 40.800 0.039 0.000 1.183 406 D HN 0.481 nan 8.370 nan 0.000 0.458 407 V N 1.962 121.958 119.914 0.136 0.000 2.483 407 V HA 0.597 4.715 4.120 -0.003 0.000 0.295 407 V C 0.280 176.368 176.094 -0.010 0.000 1.035 407 V CA -0.393 61.957 62.300 0.083 0.000 0.896 407 V CB 1.607 33.492 31.823 0.104 0.000 0.986 407 V HN 0.784 nan 8.190 nan 0.000 0.447 408 S N 3.508 119.085 115.700 -0.206 0.000 2.588 408 S HA 0.773 5.242 4.470 -0.003 0.000 0.269 408 S C -1.348 172.981 174.600 -0.451 0.000 1.157 408 S CA -0.768 57.272 58.200 -0.266 0.000 0.824 408 S CB 1.504 64.658 63.200 -0.077 0.000 1.126 408 S HN 0.237 nan 8.310 nan 0.000 0.464 409 F N 1.423 121.438 119.950 0.108 0.000 2.443 409 F HA 0.825 5.350 4.527 -0.003 0.000 0.335 409 F C 0.828 176.679 175.800 0.084 0.000 1.104 409 F CA -0.181 57.873 58.000 0.090 0.000 1.013 409 F CB 2.037 41.089 39.000 0.086 0.000 1.136 409 F HN 0.816 nan 8.300 nan 0.000 0.470 410 S N -0.082 115.761 115.700 0.237 0.000 2.638 410 S HA 0.364 4.833 4.470 -0.003 0.000 0.274 410 S C 0.657 175.347 174.600 0.149 0.000 1.157 410 S CA -0.073 58.226 58.200 0.165 0.000 0.826 410 S CB 1.193 64.461 63.200 0.114 0.000 1.139 410 S HN 0.739 nan 8.310 nan 0.000 0.474 411 T N 0.608 115.231 114.554 0.116 0.000 2.962 411 T HA 0.044 4.392 4.350 -0.003 0.000 0.270 411 T C 1.406 176.161 174.700 0.092 0.000 1.088 411 T CA 0.681 62.839 62.100 0.097 0.000 1.127 411 T CB -0.349 68.565 68.868 0.077 0.000 0.883 411 T HN 0.609 nan 8.240 nan 0.000 0.493 412 R N 1.267 121.822 120.500 0.092 0.000 2.307 412 R HA 0.411 4.749 4.340 -0.003 0.000 0.199 412 R C 1.206 177.565 176.300 0.098 0.000 1.000 412 R CA 0.364 56.515 56.100 0.084 0.000 1.023 412 R CB -0.071 30.273 30.300 0.073 0.000 0.908 412 R HN 0.615 nan 8.270 nan 0.000 0.473 413 G N -0.372 108.500 108.800 0.120 0.000 2.423 413 G HA2 -0.175 3.784 3.960 -0.003 0.000 0.684 413 G HA3 -0.175 3.784 3.960 -0.003 0.000 0.684 413 G C -0.795 174.189 174.900 0.140 0.000 1.309 413 G CA -1.100 44.084 45.100 0.141 0.000 0.950 413 G HN -0.009 nan 8.290 nan 0.000 0.587 414 T N 2.681 117.329 114.554 0.156 0.000 2.752 414 T HA 0.420 4.768 4.350 -0.003 0.000 0.295 414 T C 0.484 175.237 174.700 0.089 0.000 0.923 414 T CA -0.199 61.941 62.100 0.066 0.000 1.112 414 T CB 1.039 69.940 68.868 0.055 0.000 0.884 414 T HN 0.534 nan 8.240 nan 0.000 0.525 415 Q N 2.993 122.805 119.800 0.019 0.000 2.337 415 Q HA 0.087 4.426 4.340 -0.003 0.000 0.270 415 Q C 0.779 176.854 176.000 0.125 0.000 1.002 415 Q CA 0.050 55.891 55.803 0.064 0.000 0.888 415 Q CB 0.196 28.952 28.738 0.030 0.000 1.222 415 Q HN 0.609 nan 8.270 nan 0.000 0.400 416 N N 0.732 119.512 118.700 0.133 0.000 2.708 416 N HA -0.215 4.524 4.740 -0.003 0.000 0.249 416 N C -1.326 174.335 175.510 0.252 0.000 1.097 416 N CA 0.798 53.937 53.050 0.147 0.000 0.710 416 N CB -0.690 37.872 38.487 0.125 0.000 1.032 416 N HN 0.628 nan 8.380 nan 0.000 0.551 417 W N 1.283 122.590 121.300 0.011 0.000 2.538 417 W HA 0.393 5.051 4.660 -0.003 0.000 0.322 417 W C -0.053 176.487 176.519 0.035 0.000 1.028 417 W CA -0.205 57.154 57.345 0.023 0.000 1.228 417 W CB 1.344 30.821 29.460 0.027 0.000 1.356 417 W HN 0.075 nan 8.180 nan 0.000 0.452 418 T N 0.635 114.927 114.554 -0.437 0.000 2.887 418 T HA 0.286 4.635 4.350 -0.003 0.000 0.292 418 T C 0.928 175.366 174.700 -0.436 0.000 1.087 418 T CA -0.295 61.632 62.100 -0.290 0.000 1.009 418 T CB 1.433 70.190 68.868 -0.185 0.000 1.203 418 T HN 0.411 nan 8.240 nan 0.000 0.518 419 V N -0.794 118.988 119.914 -0.220 0.000 2.407 419 V HA -0.075 4.043 4.120 -0.003 0.000 0.248 419 V C 2.175 178.140 176.094 -0.216 0.000 1.055 419 V CA 1.835 64.027 62.300 -0.180 0.000 1.049 419 V CB -1.350 30.423 31.823 -0.084 0.000 0.662 419 V HN 0.820 nan 8.190 nan 0.000 0.455 420 E N 0.811 120.893 120.200 -0.196 0.000 2.058 420 E HA -0.164 4.184 4.350 -0.003 0.000 0.194 420 E C 2.381 178.839 176.600 -0.235 0.000 0.997 420 E CA 1.953 58.252 56.400 -0.168 0.000 0.801 420 E CB -0.511 29.113 29.700 -0.127 0.000 0.746 420 E HN 0.692 nan 8.360 nan 0.000 0.450 421 R N 0.148 120.421 120.500 -0.377 0.000 2.081 421 R HA -0.133 4.206 4.340 -0.003 0.000 0.235 421 R C 2.229 178.181 176.300 -0.579 0.000 1.131 421 R CA 1.079 56.885 56.100 -0.491 0.000 0.960 421 R CB -0.351 29.529 30.300 -0.701 0.000 0.856 421 R HN 0.218 nan 8.270 nan 0.000 0.436 422 L N 1.157 121.939 121.223 -0.735 0.000 2.042 422 L HA -0.151 4.187 4.340 -0.003 0.000 0.210 422 L C 1.899 178.731 176.870 -0.063 0.000 1.076 422 L CA 1.722 56.367 54.840 -0.325 0.000 0.749 422 L CB -0.462 41.516 42.059 -0.134 0.000 0.893 422 L HN 0.247 nan 8.230 nan 0.000 0.432 423 L N -0.780 120.387 121.223 -0.095 0.000 2.083 423 L HA -0.222 4.116 4.340 -0.003 0.000 0.209 423 L C 2.672 179.565 176.870 0.038 0.000 1.083 423 L CA 1.707 56.540 54.840 -0.012 0.000 0.752 423 L CB -0.714 41.320 42.059 -0.042 0.000 0.899 423 L HN 0.531 nan 8.230 nan 0.000 0.433 424 Q N 0.459 120.248 119.800 -0.019 0.000 2.046 424 Q HA -0.203 4.135 4.340 -0.003 0.000 0.200 424 Q C 2.324 178.355 176.000 0.051 0.000 0.975 424 Q CA 1.728 57.535 55.803 0.006 0.000 0.836 424 Q CB -0.055 28.665 28.738 -0.030 0.000 0.896 424 Q HN 0.470 nan 8.270 nan 0.000 0.428 425 A N 0.097 122.957 122.820 0.066 0.000 1.933 425 A HA -0.249 4.069 4.320 -0.003 0.000 0.218 425 A C 1.808 179.440 177.584 0.080 0.000 1.175 425 A CA 1.842 53.959 52.037 0.134 0.000 0.628 425 A CB -0.998 18.163 19.000 0.269 0.000 0.814 425 A HN 0.694 nan 8.150 nan 0.000 0.444 426 H N -0.388 118.683 119.070 0.001 0.000 2.353 426 H HA -0.033 4.521 4.556 -0.003 0.000 0.300 426 H C 2.261 177.593 175.328 0.006 0.000 1.090 426 H CA 2.008 58.044 56.048 -0.019 0.000 1.327 426 H CB -0.071 29.724 29.762 0.055 0.000 1.383 426 H HN 0.422 nan 8.280 nan 0.000 0.508 427 R N -0.040 120.494 120.500 0.057 0.000 2.081 427 R HA -0.128 4.210 4.340 -0.003 0.000 0.235 427 R C 2.484 178.789 176.300 0.008 0.000 1.131 427 R CA 1.703 57.812 56.100 0.015 0.000 0.960 427 R CB -0.142 30.192 30.300 0.057 0.000 0.856 427 R HN 0.577 nan 8.270 nan 0.000 0.436 428 Q N 0.459 120.292 119.800 0.055 0.000 2.124 428 Q HA -0.139 4.200 4.340 -0.003 0.000 0.202 428 Q C 2.239 178.353 176.000 0.190 0.000 0.977 428 Q CA 1.169 57.053 55.803 0.135 0.000 0.850 428 Q CB -0.108 28.741 28.738 0.184 0.000 0.901 428 Q HN 0.349 nan 8.270 nan 0.000 0.429 429 L N 0.620 121.835 121.223 -0.012 0.000 2.046 429 L HA -0.203 4.135 4.340 -0.003 0.000 0.208 429 L C 2.184 179.018 176.870 -0.060 0.000 1.077 429 L CA 1.250 55.924 54.840 -0.277 0.000 0.747 429 L CB -0.235 41.376 42.059 -0.748 0.000 0.896 429 L HN 0.240 nan 8.230 nan 0.000 0.432 430 E N -0.439 119.695 120.200 -0.109 0.000 2.110 430 E HA -0.204 4.144 4.350 -0.003 0.000 0.193 430 E C 2.052 178.671 176.600 0.032 0.000 0.988 430 E CA 0.860 57.232 56.400 -0.046 0.000 0.804 430 E CB -0.003 29.642 29.700 -0.091 0.000 0.745 430 E HN 0.414 nan 8.360 nan 0.000 0.458 431 E N 0.498 120.733 120.200 0.057 0.000 2.204 431 E HA -0.130 4.218 4.350 -0.003 0.000 0.195 431 E C 1.689 178.364 176.600 0.124 0.000 0.990 431 E CA 0.671 57.119 56.400 0.081 0.000 0.821 431 E CB 0.032 29.782 29.700 0.083 0.000 0.750 431 E HN 0.103 nan 8.360 nan 0.000 0.477 432 R N -0.328 120.299 120.500 0.212 0.000 2.334 432 R HA 0.094 4.432 4.340 -0.003 0.000 0.220 432 R C 0.816 177.236 176.300 0.199 0.000 0.917 432 R CA 0.516 56.795 56.100 0.297 0.000 1.073 432 R CB 0.387 31.041 30.300 0.590 0.000 1.056 432 R HN 0.258 nan 8.270 nan 0.000 0.506 433 G N 0.742 109.596 108.800 0.089 0.000 2.137 433 G HA2 -0.296 3.662 3.960 -0.003 0.000 0.237 433 G HA3 -0.296 3.662 3.960 -0.003 0.000 0.237 433 G C -0.363 174.426 174.900 -0.185 0.000 1.002 433 G CA -0.029 45.038 45.100 -0.056 0.000 0.702 433 G HN 0.286 nan 8.290 nan 0.000 0.515 434 Y N -1.469 118.793 120.300 -0.063 0.000 2.453 434 Y HA 0.709 5.257 4.550 -0.003 0.000 0.326 434 Y C 0.504 176.423 175.900 0.032 0.000 1.186 434 Y CA -0.657 57.413 58.100 -0.050 0.000 1.200 434 Y CB 2.220 40.578 38.460 -0.171 0.000 1.247 434 Y HN 0.316 nan 8.280 nan 0.000 0.482 435 V N 3.575 123.643 119.914 0.256 0.000 2.841 435 V HA 0.429 4.547 4.120 -0.003 0.000 0.310 435 V C -1.435 174.734 176.094 0.124 0.000 1.090 435 V CA -1.108 61.300 62.300 0.181 0.000 0.930 435 V CB 1.569 33.391 31.823 -0.001 0.000 1.014 435 V HN 0.586 nan 8.190 nan 0.000 0.425 436 F N 6.230 126.069 119.950 -0.185 0.000 2.495 436 F HA 0.476 5.001 4.527 -0.003 0.000 0.365 436 F C 0.812 176.411 175.800 -0.335 0.000 1.090 436 F CA 0.733 58.358 58.000 -0.625 0.000 1.235 436 F CB 1.643 40.324 39.000 -0.532 0.000 1.119 436 F HN 0.393 nan 8.300 nan 0.000 0.562 437 V N 2.533 121.830 119.914 -1.029 0.000 3.398 437 V HA 0.755 4.873 4.120 -0.003 0.000 0.298 437 V C 0.420 176.023 176.094 -0.818 0.000 1.496 437 V CA 0.365 62.253 62.300 -0.688 0.000 1.044 437 V CB -0.295 31.361 31.823 -0.278 0.000 0.880 437 V HN 1.312 nan 8.190 nan 0.000 0.443 438 G N -0.623 107.185 108.800 -1.655 0.000 2.368 438 G HA2 0.280 4.239 3.960 -0.003 0.000 0.302 438 G HA3 0.280 4.239 3.960 -0.003 0.000 0.302 438 G C -1.819 172.790 174.900 -0.485 0.000 1.329 438 G CA -0.715 43.868 45.100 -0.861 0.000 0.935 438 G HN 0.138 nan 8.290 nan 0.000 0.590 439 Y N -0.148 120.168 120.300 0.027 0.000 2.387 439 Y HA 0.709 5.258 4.550 -0.003 0.000 0.330 439 Y C 0.402 176.371 175.900 0.114 0.000 1.133 439 Y CA -0.184 58.013 58.100 0.161 0.000 1.152 439 Y CB 2.207 40.784 38.460 0.195 0.000 1.215 439 Y HN 0.802 nan 8.280 nan 0.000 0.466 440 H N 0.586 119.776 119.070 0.200 0.000 2.744 440 H HA 0.578 5.133 4.556 -0.003 0.000 0.339 440 H C -0.559 174.820 175.328 0.085 0.000 1.004 440 H CA -0.724 55.347 56.048 0.038 0.000 1.257 440 H CB 1.099 30.848 29.762 -0.021 0.000 1.552 440 H HN 0.823 nan 8.280 nan 0.000 0.522 441 G N 3.024 111.629 108.800 -0.326 0.000 2.356 441 G HA2 0.506 4.464 3.960 -0.003 0.000 0.322 441 G HA3 0.506 4.464 3.960 -0.003 0.000 0.322 441 G C -0.787 173.906 174.900 -0.344 0.000 1.125 441 G CA -0.211 44.776 45.100 -0.189 0.000 0.885 441 G HN 0.682 nan 8.290 nan 0.000 0.467 442 T N 0.134 114.568 114.554 -0.200 0.000 2.665 442 T HA 0.607 4.955 4.350 -0.003 0.000 0.303 442 T C -0.905 173.748 174.700 -0.078 0.000 1.334 442 T CA -0.699 61.303 62.100 -0.162 0.000 1.011 442 T CB 0.567 69.291 68.868 -0.241 0.000 1.573 442 T HN 0.615 nan 8.240 nan 0.000 0.492 443 F N 1.188 121.119 119.950 -0.030 0.000 2.378 443 F HA 0.545 5.070 4.527 -0.003 0.000 0.319 443 F C 1.656 177.428 175.800 -0.048 0.000 1.155 443 F CA -1.055 56.928 58.000 -0.029 0.000 1.157 443 F CB -0.073 38.927 39.000 0.000 0.000 1.252 443 F HN 0.459 nan 8.300 nan 0.000 0.550 444 L N -0.213 121.113 121.223 0.172 0.000 2.021 444 L HA -0.214 4.124 4.340 -0.003 0.000 0.215 444 L C 2.203 179.107 176.870 0.057 0.000 1.074 444 L CA 1.763 56.655 54.840 0.086 0.000 0.760 444 L CB -0.750 41.418 42.059 0.181 0.000 0.889 444 L HN 0.705 nan 8.230 nan 0.000 0.433 445 E N 0.162 120.482 120.200 0.199 0.000 2.150 445 E HA -0.140 4.209 4.350 -0.003 0.000 0.193 445 E C 2.248 178.829 176.600 -0.032 0.000 0.985 445 E CA 1.238 57.737 56.400 0.165 0.000 0.814 445 E CB -0.288 29.600 29.700 0.313 0.000 0.752 445 E HN 0.470 nan 8.360 nan 0.000 0.466 446 A N 0.839 123.423 122.820 -0.395 0.000 1.929 446 A HA 0.046 4.364 4.320 -0.003 0.000 0.216 446 A C 2.334 179.725 177.584 -0.320 0.000 1.176 446 A CA 1.434 53.166 52.037 -0.507 0.000 0.628 446 A CB -0.669 17.673 19.000 -1.097 0.000 0.816 446 A HN 0.274 nan 8.150 nan 0.000 0.444 447 A N -0.500 122.064 122.820 -0.428 0.000 1.908 447 A HA -0.219 4.099 4.320 -0.003 0.000 0.218 447 A C 2.160 179.540 177.584 -0.341 0.000 1.181 447 A CA 2.193 53.849 52.037 -0.635 0.000 0.627 447 A CB -0.527 17.616 19.000 -1.428 0.000 0.818 447 A HN 0.550 nan 8.150 nan 0.000 0.445 448 Q N 0.254 120.044 119.800 -0.016 0.000 2.050 448 Q HA -0.137 4.202 4.340 -0.003 0.000 0.202 448 Q C 2.253 178.421 176.000 0.281 0.000 0.980 448 Q CA 2.474 58.516 55.803 0.400 0.000 0.840 448 Q CB -0.701 28.227 28.738 0.316 0.000 0.898 448 Q HN 0.538 nan 8.270 nan 0.000 0.424 449 S N -0.878 114.883 115.700 0.102 0.000 2.356 449 S HA -0.097 4.372 4.470 -0.003 0.000 0.223 449 S C 1.900 176.508 174.600 0.014 0.000 1.032 449 S CA 1.389 59.623 58.200 0.057 0.000 1.005 449 S CB -0.376 62.821 63.200 -0.005 0.000 0.867 449 S HN 0.494 nan 8.310 nan 0.000 0.449 450 I N 0.808 121.356 120.570 -0.037 0.000 2.163 450 I HA -0.110 4.058 4.170 -0.003 0.000 0.240 450 I C 2.340 178.406 176.117 -0.085 0.000 1.081 450 I CA 0.988 62.240 61.300 -0.081 0.000 1.353 450 I CB -0.408 37.543 38.000 -0.082 0.000 1.054 450 I HN 0.201 nan 8.210 nan 0.000 0.407 451 V N 0.491 120.360 119.914 -0.074 0.000 2.307 451 V HA -0.263 3.855 4.120 -0.003 0.000 0.245 451 V C 2.152 178.007 176.094 -0.399 0.000 1.045 451 V CA 2.053 64.223 62.300 -0.217 0.000 1.024 451 V CB -0.586 31.117 31.823 -0.200 0.000 0.651 451 V HN 0.219 nan 8.190 nan 0.000 0.449 452 F N 0.719 120.584 119.950 -0.142 0.000 2.188 452 F HA 0.195 4.721 4.527 -0.003 0.000 0.289 452 F C 2.402 177.933 175.800 -0.449 0.000 1.082 452 F CA 1.322 59.059 58.000 -0.440 0.000 1.282 452 F CB -1.120 37.426 39.000 -0.756 0.000 1.060 452 F HN 0.164 nan 8.300 nan 0.000 0.493 453 G N -0.868 107.907 108.800 -0.042 0.000 2.494 453 G HA2 0.374 4.332 3.960 -0.003 0.000 0.216 453 G HA3 0.374 4.332 3.960 -0.003 0.000 0.216 453 G C 0.607 175.526 174.900 0.031 0.000 1.140 453 G CA 0.576 45.730 45.100 0.090 0.000 0.801 453 G HN 0.706 nan 8.290 nan 0.000 0.536 454 G N -1.498 107.291 108.800 -0.019 0.000 2.629 454 G HA2 0.075 4.033 3.960 -0.003 0.000 0.686 454 G HA3 0.075 4.033 3.960 -0.003 0.000 0.686 454 G C -0.518 174.327 174.900 -0.092 0.000 1.232 454 G CA -0.565 44.514 45.100 -0.034 0.000 0.803 454 G HN 0.697 nan 8.290 nan 0.000 0.638 455 V N 2.921 122.735 119.914 -0.167 0.000 2.585 455 V HA 0.481 4.600 4.120 -0.003 0.000 0.296 455 V C 0.650 176.647 176.094 -0.160 0.000 1.035 455 V CA 0.029 62.160 62.300 -0.282 0.000 1.084 455 V CB 0.932 32.395 31.823 -0.601 0.000 0.953 455 V HN 0.766 nan 8.190 nan 0.000 0.483 456 R N 2.925 123.322 120.500 -0.172 0.000 2.744 456 R HA 0.673 5.011 4.340 -0.003 0.000 0.279 456 R C -0.307 175.683 176.300 -0.517 0.000 0.977 456 R CA -0.718 55.245 56.100 -0.228 0.000 0.906 456 R CB 1.876 32.057 30.300 -0.198 0.000 1.197 456 R HN 0.758 nan 8.270 nan 0.000 0.463 457 A N 2.627 124.942 122.820 -0.842 0.000 2.498 457 A HA 0.350 4.668 4.320 -0.003 0.000 0.239 457 A C -0.103 176.877 177.584 -1.006 0.000 1.068 457 A CA 0.263 51.221 52.037 -1.800 0.000 0.766 457 A CB 0.282 18.397 19.000 -1.474 0.000 1.003 457 A HN 0.592 nan 8.150 nan 0.000 0.497 458 R N 0.955 120.925 120.500 -0.883 0.000 2.673 458 R HA 0.448 4.786 4.340 -0.003 0.000 0.281 458 R C -0.229 176.008 176.300 -0.105 0.000 0.991 458 R CA -0.372 55.549 56.100 -0.299 0.000 0.896 458 R CB 2.081 32.342 30.300 -0.066 0.000 1.201 458 R HN 0.904 nan 8.270 nan 0.000 0.457 459 S N 1.733 117.396 115.700 -0.063 0.000 2.568 459 S HA 0.126 4.595 4.470 -0.003 0.000 0.282 459 S C -0.222 174.448 174.600 0.115 0.000 1.338 459 S CA -0.418 57.803 58.200 0.035 0.000 1.045 459 S CB 0.916 64.133 63.200 0.028 0.000 0.873 459 S HN 0.525 nan 8.310 nan 0.000 0.516 460 Q N 0.388 120.282 119.800 0.156 0.000 2.359 460 Q HA 0.323 4.661 4.340 -0.003 0.000 0.274 460 Q C -1.706 174.367 176.000 0.121 0.000 1.074 460 Q CA -0.695 55.200 55.803 0.153 0.000 0.810 460 Q CB 1.943 30.805 28.738 0.208 0.000 1.342 460 Q HN 0.786 nan 8.270 nan 0.000 0.427 461 D N 2.982 123.434 120.400 0.088 0.000 2.517 461 D HA 0.365 5.003 4.640 -0.003 0.000 0.220 461 D C -1.412 174.932 176.300 0.074 0.000 1.158 461 D CA -0.177 53.870 54.000 0.077 0.000 0.992 461 D CB -0.334 40.502 40.800 0.060 0.000 1.058 461 D HN 0.345 nan 8.370 nan 0.000 0.516 462 L N -0.519 120.768 121.223 0.106 0.000 2.838 462 L HA 0.527 4.865 4.340 -0.003 0.000 0.266 462 L C -0.702 176.268 176.870 0.167 0.000 1.040 462 L CA -1.164 53.755 54.840 0.132 0.000 0.906 462 L CB 0.567 42.711 42.059 0.142 0.000 1.501 462 L HN -0.239 nan 8.230 nan 0.000 0.407 463 D N 0.974 121.499 120.400 0.209 0.000 2.488 463 D HA 0.242 4.880 4.640 -0.003 0.000 0.238 463 D C 1.228 177.613 176.300 0.142 0.000 1.138 463 D CA 0.844 54.946 54.000 0.170 0.000 0.873 463 D CB 1.760 42.679 40.800 0.198 0.000 1.183 463 D HN 0.916 nan 8.370 nan 0.000 0.458 464 A N 3.322 126.188 122.820 0.077 0.000 1.958 464 A HA -0.236 4.082 4.320 -0.003 0.000 0.221 464 A C 2.144 179.726 177.584 -0.003 0.000 1.178 464 A CA 1.623 53.696 52.037 0.060 0.000 0.642 464 A CB -0.850 18.171 19.000 0.036 0.000 0.816 464 A HN 0.772 nan 8.150 nan 0.000 0.453 465 I N -5.128 115.354 120.570 -0.147 0.000 2.567 465 I HA -0.154 4.014 4.170 -0.003 0.000 0.257 465 I C 1.717 177.565 176.117 -0.449 0.000 1.184 465 I CA 1.064 62.137 61.300 -0.377 0.000 1.451 465 I CB -0.413 37.204 38.000 -0.638 0.000 1.089 465 I HN 0.443 nan 8.210 nan 0.000 0.441 466 W N 1.920 123.250 121.300 0.049 0.000 3.223 466 W HA 0.349 5.007 4.660 -0.002 0.000 0.389 466 W C 0.659 177.244 176.519 0.111 0.000 1.118 466 W CA -0.938 56.444 57.345 0.062 0.000 1.902 466 W CB 0.141 29.665 29.460 0.106 0.000 1.094 466 W HN -0.167 nan 8.180 nan 0.000 0.666 467 R N 1.144 121.792 120.500 0.247 0.000 2.537 467 R HA 0.480 4.818 4.340 -0.003 0.000 0.280 467 R C 0.540 176.832 176.300 -0.014 0.000 1.058 467 R CA 0.680 56.938 56.100 0.264 0.000 1.057 467 R CB 0.417 30.914 30.300 0.329 0.000 0.973 467 R HN 0.138 nan 8.270 nan 0.000 0.438 468 G N 1.647 110.283 108.800 -0.273 0.000 2.324 468 G HA2 0.114 4.073 3.960 -0.003 0.000 0.293 468 G HA3 0.114 4.073 3.960 -0.003 0.000 0.293 468 G C -2.063 172.206 174.900 -1.050 0.000 1.297 468 G CA -0.958 43.458 45.100 -1.140 0.000 0.853 468 G HN 0.365 nan 8.290 nan 0.000 0.535 469 F N 1.475 120.670 119.950 -1.258 0.000 2.404 469 F HA 0.713 5.238 4.527 -0.003 0.000 0.358 469 F C -0.395 175.202 175.800 -0.338 0.000 1.120 469 F CA -1.168 56.427 58.000 -0.676 0.000 1.144 469 F CB 0.440 39.105 39.000 -0.559 0.000 1.133 469 F HN 0.370 nan 8.300 nan 0.000 0.495 470 Y N 7.635 127.572 120.300 -0.605 0.000 2.327 470 Y HA 0.470 5.018 4.550 -0.003 0.000 0.336 470 Y C 0.497 176.108 175.900 -0.481 0.000 1.035 470 Y CA -0.563 57.262 58.100 -0.459 0.000 1.165 470 Y CB 0.791 39.039 38.460 -0.353 0.000 1.181 470 Y HN 0.539 nan 8.280 nan 0.000 0.494 471 I N 0.104 120.533 120.570 -0.235 0.000 3.264 471 I HA 1.050 5.218 4.170 -0.003 0.000 0.315 471 I C -1.385 174.701 176.117 -0.051 0.000 1.154 471 I CA -1.379 59.849 61.300 -0.121 0.000 0.962 471 I CB 2.487 40.421 38.000 -0.111 0.000 1.265 471 I HN 0.500 nan 8.210 nan 0.000 0.463 472 A N 1.065 123.904 122.820 0.032 0.000 2.459 472 A HA 0.644 4.962 4.320 -0.003 0.000 0.296 472 A C 0.395 178.065 177.584 0.144 0.000 1.039 472 A CA -0.099 51.982 52.037 0.074 0.000 0.698 472 A CB 1.243 20.300 19.000 0.095 0.000 1.261 472 A HN 1.111 nan 8.150 nan 0.000 0.405 473 G N 0.521 109.391 108.800 0.117 0.000 2.432 473 G HA2 -0.075 3.884 3.960 -0.003 0.000 0.219 473 G HA3 -0.075 3.884 3.960 -0.003 0.000 0.219 473 G C 0.390 175.466 174.900 0.292 0.000 1.135 473 G CA 1.178 46.373 45.100 0.158 0.000 0.767 473 G HN 0.725 nan 8.290 nan 0.000 0.550 474 D N 0.494 121.011 120.400 0.194 0.000 2.316 474 D HA 0.198 4.836 4.640 -0.003 0.000 0.245 474 D C -0.929 175.409 176.300 0.063 0.000 1.171 474 D CA -2.443 51.636 54.000 0.131 0.000 0.856 474 D CB 1.933 42.777 40.800 0.074 0.000 1.090 474 D HN 0.052 nan 8.370 nan 0.000 0.476 475 P HA -0.140 nan 4.420 nan 0.000 0.220 475 P C 0.981 178.186 177.300 -0.158 0.000 1.148 475 P CA 0.733 63.534 63.100 -0.498 0.000 0.803 475 P CB 0.251 31.332 31.700 -1.033 0.000 0.782 476 A N -0.276 122.484 122.820 -0.100 0.000 1.972 476 A HA -0.140 4.178 4.320 -0.003 0.000 0.219 476 A C 2.189 179.797 177.584 0.040 0.000 1.169 476 A CA 1.259 53.261 52.037 -0.058 0.000 0.635 476 A CB -1.447 17.508 19.000 -0.075 0.000 0.810 476 A HN 0.183 nan 8.150 nan 0.000 0.446 477 L N -0.481 120.780 121.223 0.063 0.000 2.068 477 L HA 0.105 4.444 4.340 -0.003 0.000 0.204 477 L C 2.663 179.654 176.870 0.202 0.000 1.076 477 L CA 2.018 56.929 54.840 0.118 0.000 0.753 477 L CB -0.845 41.285 42.059 0.117 0.000 0.910 477 L HN 0.299 nan 8.230 nan 0.000 0.439 478 A N -1.450 121.479 122.820 0.182 0.000 1.972 478 A HA -0.302 4.016 4.320 -0.003 0.000 0.219 478 A C 2.302 180.008 177.584 0.203 0.000 1.169 478 A CA 1.749 53.911 52.037 0.208 0.000 0.635 478 A CB -1.253 17.852 19.000 0.175 0.000 0.810 478 A HN 0.637 nan 8.150 nan 0.000 0.446 479 Y N 0.895 121.206 120.300 0.017 0.000 2.207 479 Y HA -0.155 4.394 4.550 -0.003 0.000 0.287 479 Y C 2.371 178.248 175.900 -0.037 0.000 1.156 479 Y CA 1.377 59.468 58.100 -0.015 0.000 1.182 479 Y CB -0.555 37.875 38.460 -0.049 0.000 0.979 479 Y HN 0.274 nan 8.280 nan 0.000 0.521 480 G N -1.554 107.277 108.800 0.052 0.000 2.479 480 G HA2 -0.290 3.668 3.960 -0.003 0.000 0.220 480 G HA3 -0.290 3.668 3.960 -0.003 0.000 0.220 480 G C 0.900 175.544 174.900 -0.426 0.000 1.115 480 G CA 1.010 45.986 45.100 -0.207 0.000 0.757 480 G HN 0.559 nan 8.290 nan 0.000 0.560 481 Y N 0.036 120.281 120.300 -0.092 0.000 2.458 481 Y HA 0.494 5.042 4.550 -0.003 0.000 0.256 481 Y C 1.980 177.801 175.900 -0.132 0.000 1.159 481 Y CA -0.320 57.715 58.100 -0.108 0.000 1.261 481 Y CB 0.457 38.832 38.460 -0.143 0.000 1.119 481 Y HN 0.169 nan 8.280 nan 0.000 0.524 482 A N 1.858 124.623 122.820 -0.091 0.000 3.077 482 A HA 0.407 4.726 4.320 -0.003 0.000 0.255 482 A C 0.082 177.588 177.584 -0.130 0.000 1.728 482 A CA -0.056 51.900 52.037 -0.134 0.000 1.383 482 A CB -1.176 17.689 19.000 -0.226 0.000 1.097 482 A HN 0.540 nan 8.150 nan 0.000 0.634 483 Q N -0.939 118.849 119.800 -0.020 0.000 2.756 483 Q HA 0.352 4.691 4.340 -0.003 0.000 0.295 483 Q C -1.892 174.150 176.000 0.069 0.000 0.903 483 Q CA -1.139 54.664 55.803 -0.000 0.000 0.768 483 Q CB 0.383 29.080 28.738 -0.069 0.000 1.472 483 Q HN 0.141 nan 8.270 nan 0.000 0.416 484 D N 1.163 121.581 120.400 0.031 0.000 2.360 484 D HA 0.079 4.717 4.640 -0.003 0.000 0.242 484 D C -0.225 176.049 176.300 -0.043 0.000 1.184 484 D CA 0.092 54.073 54.000 -0.032 0.000 0.930 484 D CB 0.808 41.577 40.800 -0.052 0.000 1.161 484 D HN 0.564 nan 8.370 nan 0.000 0.447 485 Q N -1.591 118.162 119.800 -0.079 0.000 2.354 485 Q HA 0.520 4.859 4.340 -0.003 0.000 0.372 485 Q C -0.552 175.414 176.000 -0.056 0.000 0.923 485 Q CA -0.576 55.196 55.803 -0.052 0.000 1.123 485 Q CB 0.294 29.014 28.738 -0.031 0.000 1.298 485 Q HN 0.347 nan 8.270 nan 0.000 0.419 486 E N 0.095 120.262 120.200 -0.054 0.000 2.647 486 E HA 0.383 4.731 4.350 -0.003 0.000 0.320 486 E C -3.158 173.421 176.600 -0.034 0.000 0.951 486 E CA -1.459 54.914 56.400 -0.044 0.000 0.809 486 E CB 0.407 30.075 29.700 -0.053 0.000 1.295 486 E HN 0.196 nan 8.360 nan 0.000 0.407 487 P HA 0.283 nan 4.420 nan 0.000 0.273 487 P C -0.550 176.742 177.300 -0.013 0.000 1.258 487 P CA -0.214 62.877 63.100 -0.015 0.000 0.802 487 P CB 0.609 32.302 31.700 -0.012 0.000 1.040 488 D N -1.809 118.587 120.400 -0.006 0.000 2.533 488 D HA 0.323 4.961 4.640 -0.003 0.000 0.247 488 D C 0.579 176.879 176.300 0.000 0.000 1.056 488 D CA -0.588 53.410 54.000 -0.003 0.000 1.054 488 D CB 1.969 42.770 40.800 0.002 0.000 1.400 488 D HN 0.226 nan 8.370 nan 0.000 0.533 489 A N 1.179 124.000 122.820 0.002 0.000 2.076 489 A HA -0.155 4.163 4.320 -0.003 0.000 0.220 489 A C 1.613 179.200 177.584 0.005 0.000 1.160 489 A CA 1.236 53.275 52.037 0.004 0.000 0.653 489 A CB -0.269 18.735 19.000 0.006 0.000 0.801 489 A HN 0.533 nan 8.150 nan 0.000 0.455 490 R N -1.334 119.170 120.500 0.006 0.000 2.466 490 R HA 0.290 4.629 4.340 -0.003 0.000 0.279 490 R C 0.928 177.232 176.300 0.006 0.000 0.976 490 R CA 0.354 56.459 56.100 0.008 0.000 1.081 490 R CB -0.055 30.252 30.300 0.011 0.000 1.215 490 R HN 0.562 nan 8.270 nan 0.000 0.546 491 G N 2.699 111.501 108.800 0.004 0.000 2.273 491 G HA2 -0.338 3.621 3.960 -0.003 0.000 0.280 491 G HA3 -0.338 3.621 3.960 -0.003 0.000 0.280 491 G C -0.354 174.548 174.900 0.003 0.000 1.047 491 G CA 0.567 45.669 45.100 0.002 0.000 0.869 491 G HN 0.409 nan 8.290 nan 0.000 0.502 492 R N -0.955 119.548 120.500 0.004 0.000 2.561 492 R HA 0.806 5.144 4.340 -0.003 0.000 0.297 492 R C -0.448 175.854 176.300 0.003 0.000 0.969 492 R CA -1.344 54.759 56.100 0.006 0.000 0.879 492 R CB 1.200 31.507 30.300 0.012 0.000 1.178 492 R HN 0.129 nan 8.270 nan 0.000 0.445 493 I N 3.273 123.843 120.570 0.000 0.000 2.354 493 I HA 0.410 4.578 4.170 -0.003 0.000 0.292 493 I C 0.352 176.471 176.117 0.004 0.000 0.989 493 I CA -1.035 60.262 61.300 -0.005 0.000 1.188 493 I CB 1.502 39.494 38.000 -0.014 0.000 1.342 493 I HN 0.434 nan 8.210 nan 0.000 0.457 494 R N 4.992 125.498 120.500 0.010 0.000 2.590 494 R HA 0.115 4.454 4.340 -0.003 0.000 0.274 494 R C -0.069 176.244 176.300 0.022 0.000 1.061 494 R CA -0.478 55.638 56.100 0.026 0.000 1.081 494 R CB 0.186 30.512 30.300 0.043 0.000 0.984 494 R HN 0.615 nan 8.270 nan 0.000 0.448 495 N N 0.901 119.616 118.700 0.025 0.000 2.467 495 N HA 0.150 4.889 4.740 -0.003 0.000 0.262 495 N C 0.124 175.648 175.510 0.024 0.000 1.234 495 N CA -0.381 52.669 53.050 0.001 0.000 0.952 495 N CB 0.979 39.470 38.487 0.007 0.000 1.158 495 N HN 0.591 nan 8.380 nan 0.000 0.463 496 G N -0.927 107.865 108.800 -0.013 0.000 3.019 496 G HA2 0.688 4.647 3.960 -0.003 0.000 0.152 496 G HA3 0.688 4.647 3.960 -0.003 0.000 0.152 496 G C -1.307 173.595 174.900 0.004 0.000 1.320 496 G CA -0.279 44.830 45.100 0.015 0.000 1.013 496 G HN 0.858 nan 8.290 nan 0.000 0.593 497 A N -1.261 121.536 122.820 -0.038 0.000 2.539 497 A HA 0.715 5.034 4.320 -0.003 0.000 0.296 497 A C -1.329 176.250 177.584 -0.007 0.000 1.073 497 A CA -0.493 51.547 52.037 0.005 0.000 0.700 497 A CB 1.432 20.425 19.000 -0.011 0.000 1.296 497 A HN 0.551 nan 8.150 nan 0.000 0.405 498 L N 1.987 123.267 121.223 0.094 0.000 2.295 498 L HA 0.582 4.921 4.340 -0.003 0.000 0.285 498 L C -0.957 176.055 176.870 0.237 0.000 1.035 498 L CA -0.455 54.486 54.840 0.168 0.000 0.806 498 L CB 1.195 43.390 42.059 0.226 0.000 1.214 498 L HN 0.654 nan 8.230 nan 0.000 0.426 499 L N 3.925 125.309 121.223 0.268 0.000 2.333 499 L HA 0.600 4.939 4.340 -0.003 0.000 0.269 499 L C -0.443 176.617 176.870 0.316 0.000 1.010 499 L CA -0.906 54.085 54.840 0.253 0.000 0.818 499 L CB 2.078 44.247 42.059 0.183 0.000 1.306 499 L HN 0.522 nan 8.230 nan 0.000 0.430 500 R N 0.934 121.590 120.500 0.260 0.000 2.338 500 R HA 0.590 4.928 4.340 -0.003 0.000 0.317 500 R C -1.194 175.276 176.300 0.284 0.000 0.968 500 R CA -0.683 55.569 56.100 0.253 0.000 0.849 500 R CB 2.063 32.552 30.300 0.315 0.000 1.128 500 R HN 0.277 nan 8.270 nan 0.000 0.448 501 V N 4.461 124.432 119.914 0.094 0.000 2.398 501 V HA 0.366 4.485 4.120 -0.003 0.000 0.286 501 V C -0.828 175.191 176.094 -0.123 0.000 1.026 501 V CA -0.663 61.676 62.300 0.064 0.000 0.868 501 V CB 0.792 32.646 31.823 0.052 0.000 0.982 501 V HN 0.586 nan 8.190 nan 0.000 0.443 502 Y N 3.095 123.419 120.300 0.039 0.000 2.524 502 Y HA 0.788 5.336 4.550 -0.003 0.000 0.344 502 Y C 0.131 176.100 175.900 0.115 0.000 1.012 502 Y CA -0.926 57.212 58.100 0.065 0.000 1.068 502 Y CB 2.312 40.784 38.460 0.020 0.000 1.249 502 Y HN 0.538 nan 8.280 nan 0.000 0.468 503 V N -0.975 119.104 119.914 0.276 0.000 3.130 503 V HA 0.748 4.866 4.120 -0.003 0.000 0.310 503 V C -3.122 172.989 176.094 0.027 0.000 1.158 503 V CA -3.377 59.040 62.300 0.195 0.000 1.029 503 V CB 2.099 34.002 31.823 0.133 0.000 1.057 503 V HN 0.444 nan 8.190 nan 0.000 0.436 504 P HA 0.340 nan 4.420 nan 0.000 0.268 504 P C 0.497 177.660 177.300 -0.228 0.000 1.205 504 P CA -0.074 62.731 63.100 -0.492 0.000 0.771 504 P CB 0.497 31.945 31.700 -0.420 0.000 0.858 505 R N 1.430 121.806 120.500 -0.206 0.000 2.127 505 R HA -0.118 4.220 4.340 -0.003 0.000 0.238 505 R C 1.968 178.204 176.300 -0.106 0.000 1.134 505 R CA 1.928 57.948 56.100 -0.133 0.000 0.975 505 R CB -0.731 29.508 30.300 -0.100 0.000 0.865 505 R HN 0.599 nan 8.270 nan 0.000 0.447 506 S N -0.068 115.567 115.700 -0.108 0.000 2.469 506 S HA -0.061 4.408 4.470 -0.003 0.000 0.238 506 S C 1.717 176.295 174.600 -0.038 0.000 0.998 506 S CA 1.218 59.377 58.200 -0.069 0.000 0.957 506 S CB 0.046 63.203 63.200 -0.071 0.000 0.764 506 S HN 0.095 nan 8.310 nan 0.000 0.514 507 S N 1.242 116.925 115.700 -0.030 0.000 2.528 507 S HA 0.329 4.797 4.470 -0.003 0.000 0.219 507 S C 1.512 176.199 174.600 0.144 0.000 0.985 507 S CA -0.013 58.224 58.200 0.062 0.000 0.914 507 S CB -0.356 62.917 63.200 0.122 0.000 0.776 507 S HN 0.439 nan 8.310 nan 0.000 0.526 508 L N 1.493 122.718 121.223 0.004 0.000 2.127 508 L HA -0.086 4.253 4.340 -0.003 0.000 0.211 508 L C -0.966 175.927 176.870 0.037 0.000 1.089 508 L CA 1.221 56.034 54.840 -0.045 0.000 0.757 508 L CB -1.645 40.330 42.059 -0.140 0.000 0.899 508 L HN 0.187 nan 8.230 nan 0.000 0.434 509 P HA -0.110 nan 4.420 nan 0.000 0.228 509 P C 1.208 178.422 177.300 -0.143 0.000 1.151 509 P CA 1.265 64.332 63.100 -0.055 0.000 0.770 509 P CB -0.079 31.610 31.700 -0.017 0.000 0.786 510 G N -2.322 106.458 108.800 -0.033 0.000 3.141 510 G HA2 0.046 4.005 3.960 -0.003 0.000 0.218 510 G HA3 0.046 4.005 3.960 -0.003 0.000 0.218 510 G C -0.161 174.586 174.900 -0.255 0.000 1.170 510 G CA -0.080 44.972 45.100 -0.079 0.000 0.769 510 G HN 0.122 nan 8.290 nan 0.000 0.546 511 F N 0.912 120.579 119.950 -0.472 0.000 2.391 511 F HA 0.575 5.100 4.527 -0.003 0.000 0.359 511 F C -0.288 175.142 175.800 -0.617 0.000 1.122 511 F CA -1.200 56.511 58.000 -0.482 0.000 1.120 511 F CB 0.932 39.672 39.000 -0.434 0.000 1.142 511 F HN -0.023 nan 8.300 nan 0.000 0.483 512 Y N 2.263 122.503 120.300 -0.100 0.000 2.587 512 Y HA 0.730 5.278 4.550 -0.003 0.000 0.337 512 Y C -0.049 175.821 175.900 -0.051 0.000 1.065 512 Y CA -1.279 56.802 58.100 -0.033 0.000 1.126 512 Y CB 1.798 40.223 38.460 -0.059 0.000 1.279 512 Y HN 0.458 nan 8.280 nan 0.000 0.489 513 R N -0.386 120.237 120.500 0.206 0.000 2.771 513 R HA 0.854 5.192 4.340 -0.003 0.000 0.274 513 R C -1.555 174.813 176.300 0.115 0.000 0.987 513 R CA -0.855 55.333 56.100 0.147 0.000 0.908 513 R CB 2.206 32.634 30.300 0.214 0.000 1.213 513 R HN 0.637 nan 8.270 nan 0.000 0.468 514 T N -0.490 114.109 114.554 0.074 0.000 2.916 514 T HA 0.222 4.570 4.350 -0.003 0.000 0.305 514 T C 0.401 175.125 174.700 0.039 0.000 1.119 514 T CA -0.346 61.785 62.100 0.051 0.000 1.008 514 T CB 1.693 70.583 68.868 0.036 0.000 1.129 514 T HN 0.729 nan 8.240 nan 0.000 0.480 515 S N 3.189 118.908 115.700 0.032 0.000 2.575 515 S HA 0.221 4.689 4.470 -0.003 0.000 0.215 515 S C 0.559 175.166 174.600 0.012 0.000 0.966 515 S CA -0.332 57.882 58.200 0.024 0.000 0.911 515 S CB -0.277 62.936 63.200 0.023 0.000 0.780 515 S HN 0.523 nan 8.310 nan 0.000 0.514 516 L N 3.346 124.575 121.223 0.011 0.000 2.319 516 L HA 0.381 4.719 4.340 -0.003 0.000 0.280 516 L C 0.452 177.313 176.870 -0.015 0.000 1.099 516 L CA 0.324 55.166 54.840 0.003 0.000 0.828 516 L CB 0.733 42.799 42.059 0.012 0.000 1.150 516 L HN 0.165 nan 8.230 nan 0.000 0.442 517 T N 5.439 119.978 114.554 -0.024 0.000 2.871 517 T HA 0.054 4.402 4.350 -0.003 0.000 0.296 517 T C 1.547 176.193 174.700 -0.090 0.000 0.998 517 T CA -0.038 62.032 62.100 -0.051 0.000 1.162 517 T CB -0.037 68.805 68.868 -0.045 0.000 0.947 517 T HN 0.602 nan 8.240 nan 0.000 0.536 518 L N 4.011 125.141 121.223 -0.154 0.000 2.651 518 L HA -0.015 4.323 4.340 -0.003 0.000 0.236 518 L C 2.348 178.982 176.870 -0.394 0.000 1.173 518 L CA 0.865 55.520 54.840 -0.308 0.000 0.843 518 L CB -0.562 41.235 42.059 -0.437 0.000 0.964 518 L HN 0.760 nan 8.230 nan 0.000 0.454 519 A N -0.386 122.301 122.820 -0.222 0.000 2.348 519 A HA 0.490 4.808 4.320 -0.003 0.000 0.224 519 A C 1.249 178.790 177.584 -0.072 0.000 1.227 519 A CA 0.224 52.157 52.037 -0.173 0.000 0.885 519 A CB -0.060 18.864 19.000 -0.125 0.000 0.933 519 A HN 0.247 nan 8.150 nan 0.000 0.506 520 A N 0.586 123.380 122.820 -0.044 0.000 2.366 520 A HA 0.517 4.835 4.320 -0.003 0.000 0.249 520 A C -1.037 176.571 177.584 0.040 0.000 1.084 520 A CA -0.862 51.176 52.037 0.001 0.000 0.794 520 A CB -0.058 18.945 19.000 0.005 0.000 1.034 520 A HN 0.155 nan 8.150 nan 0.000 0.491 521 P HA -0.097 nan 4.420 nan 0.000 0.217 521 P C 0.591 177.932 177.300 0.068 0.000 1.150 521 P CA 1.394 64.527 63.100 0.055 0.000 0.832 521 P CB 0.193 31.914 31.700 0.036 0.000 0.787 522 E N -1.143 119.091 120.200 0.056 0.000 2.463 522 E HA 0.192 4.540 4.350 -0.003 0.000 0.193 522 E C 1.681 178.327 176.600 0.077 0.000 1.041 522 E CA -0.058 56.373 56.400 0.053 0.000 0.879 522 E CB -0.109 29.609 29.700 0.030 0.000 0.997 522 E HN 0.133 nan 8.360 nan 0.000 0.478 523 A N 1.833 124.726 122.820 0.121 0.000 1.851 523 A HA -0.222 4.096 4.320 -0.003 0.000 0.216 523 A C 2.448 180.193 177.584 0.268 0.000 1.195 523 A CA 1.883 54.032 52.037 0.187 0.000 0.622 523 A CB -0.787 18.328 19.000 0.191 0.000 0.831 523 A HN 0.342 nan 8.150 nan 0.000 0.444 524 A N -0.660 122.349 122.820 0.315 0.000 1.884 524 A HA -0.045 4.273 4.320 -0.003 0.000 0.219 524 A C 2.503 180.062 177.584 -0.041 0.000 1.197 524 A CA 2.504 54.573 52.037 0.054 0.000 0.637 524 A CB -1.625 17.349 19.000 -0.044 0.000 0.827 524 A HN 0.935 nan 8.150 nan 0.000 0.450 525 G N -0.839 107.955 108.800 -0.011 0.000 2.418 525 G HA2 -0.231 3.728 3.960 -0.003 0.000 0.217 525 G HA3 -0.231 3.728 3.960 -0.003 0.000 0.217 525 G C 1.465 176.336 174.900 -0.048 0.000 1.158 525 G CA 1.438 46.514 45.100 -0.040 0.000 0.771 525 G HN 0.600 nan 8.290 nan 0.000 0.545 526 E N 0.316 120.507 120.200 -0.014 0.000 2.072 526 E HA -0.073 4.276 4.350 -0.003 0.000 0.191 526 E C 2.591 179.154 176.600 -0.061 0.000 0.985 526 E CA 0.968 57.353 56.400 -0.025 0.000 0.801 526 E CB -0.416 29.288 29.700 0.008 0.000 0.750 526 E HN 0.194 nan 8.360 nan 0.000 0.452 527 V N 1.268 121.160 119.914 -0.037 0.000 2.358 527 V HA -0.221 3.897 4.120 -0.003 0.000 0.246 527 V C 2.116 178.075 176.094 -0.225 0.000 1.047 527 V CA 2.192 64.437 62.300 -0.091 0.000 1.035 527 V CB -0.561 31.274 31.823 0.019 0.000 0.658 527 V HN 0.323 nan 8.190 nan 0.000 0.452 528 E N -0.037 120.031 120.200 -0.219 0.000 2.153 528 E HA -0.256 4.093 4.350 -0.003 0.000 0.194 528 E C 2.389 178.834 176.600 -0.259 0.000 0.988 528 E CA 1.121 57.356 56.400 -0.276 0.000 0.811 528 E CB -0.204 29.372 29.700 -0.208 0.000 0.746 528 E HN 0.482 nan 8.360 nan 0.000 0.466 529 R N 0.953 121.338 120.500 -0.191 0.000 2.092 529 R HA -0.102 4.236 4.340 -0.003 0.000 0.231 529 R C 2.319 178.479 176.300 -0.233 0.000 1.119 529 R CA 0.799 56.800 56.100 -0.165 0.000 0.970 529 R CB -0.068 30.169 30.300 -0.106 0.000 0.864 529 R HN 0.141 nan 8.270 nan 0.000 0.440 530 L N 0.952 121.992 121.223 -0.305 0.000 2.027 530 L HA -0.126 4.213 4.340 -0.003 0.000 0.206 530 L C 2.436 178.746 176.870 -0.933 0.000 1.074 530 L CA 1.257 55.796 54.840 -0.502 0.000 0.745 530 L CB -0.370 41.431 42.059 -0.431 0.000 0.898 530 L HN 0.347 nan 8.230 nan 0.000 0.433 531 I N -2.966 117.115 120.570 -0.815 0.000 3.111 531 I HA 0.188 4.356 4.170 -0.003 0.000 0.272 531 I C 1.378 177.229 176.117 -0.444 0.000 1.268 531 I CA 0.759 61.599 61.300 -0.767 0.000 1.467 531 I CB -0.567 37.045 38.000 -0.647 0.000 1.087 531 I HN 0.341 nan 8.210 nan 0.000 0.467 532 G N 2.403 110.989 108.800 -0.358 0.000 2.153 532 G HA2 -0.308 3.651 3.960 -0.003 0.000 0.252 532 G HA3 -0.308 3.651 3.960 -0.003 0.000 0.252 532 G C 0.076 174.942 174.900 -0.056 0.000 0.994 532 G CA 0.826 45.830 45.100 -0.161 0.000 0.698 532 G HN 1.084 nan 8.290 nan 0.000 0.521 533 H N -3.596 115.406 119.070 -0.113 0.000 3.003 533 H HA 0.706 5.260 4.556 -0.003 0.000 0.327 533 H C -3.385 171.878 175.328 -0.108 0.000 1.353 533 H CA -1.847 54.146 56.048 -0.091 0.000 1.142 533 H CB 0.179 29.897 29.762 -0.073 0.000 1.864 533 H HN 0.089 nan 8.280 nan 0.000 0.529 534 P HA 0.135 nan 4.420 nan 0.000 0.271 534 P C -0.036 177.297 177.300 0.055 0.000 1.218 534 P CA -0.409 62.693 63.100 0.002 0.000 0.780 534 P CB 0.710 32.411 31.700 0.002 0.000 0.901 535 L N 4.072 125.221 121.223 -0.122 0.000 2.476 535 L HA 0.235 4.574 4.340 -0.003 0.000 0.264 535 L C -1.395 175.426 176.870 -0.081 0.000 1.224 535 L CA -1.474 53.271 54.840 -0.158 0.000 0.821 535 L CB -0.222 41.603 42.059 -0.390 0.000 1.101 535 L HN 0.347 nan 8.230 nan 0.000 0.488 536 P HA 0.132 nan 4.420 nan 0.000 0.277 536 P C -0.795 176.526 177.300 0.034 0.000 1.276 536 P CA -0.551 62.509 63.100 -0.067 0.000 0.788 536 P CB 0.597 32.288 31.700 -0.015 0.000 1.114 537 L N 0.263 121.477 121.223 -0.016 0.000 2.461 537 L HA 0.126 4.464 4.340 -0.003 0.000 0.272 537 L C 1.906 178.797 176.870 0.035 0.000 1.197 537 L CA 0.235 55.089 54.840 0.023 0.000 0.836 537 L CB -0.154 41.841 42.059 -0.106 0.000 1.105 537 L HN 0.442 nan 8.230 nan 0.000 0.477 538 R N 2.092 122.628 120.500 0.059 0.000 2.091 538 R HA 0.415 4.753 4.340 -0.003 0.000 0.121 538 R C -0.011 176.275 176.300 -0.025 0.000 1.812 538 R CA -0.693 55.396 56.100 -0.018 0.000 1.565 538 R CB -0.115 30.101 30.300 -0.140 0.000 1.305 538 R HN 0.375 nan 8.270 nan 0.000 0.467 539 L N 2.892 124.103 121.223 -0.020 0.000 2.934 539 L HA 0.219 4.557 4.340 -0.003 0.000 0.233 539 L C -1.214 175.633 176.870 -0.039 0.000 1.358 539 L CA -0.320 54.500 54.840 -0.033 0.000 1.233 539 L CB -0.856 41.194 42.059 -0.015 0.000 1.594 539 L HN 0.519 nan 8.230 nan 0.000 0.439 540 D N -0.739 119.608 120.400 -0.088 0.000 2.643 540 D HA 0.798 5.436 4.640 -0.003 0.000 0.283 540 D C -0.902 175.190 176.300 -0.347 0.000 1.242 540 D CA -0.657 53.254 54.000 -0.148 0.000 0.863 540 D CB 1.623 42.470 40.800 0.078 0.000 1.382 540 D HN -0.005 nan 8.370 nan 0.000 0.444 541 A N -0.582 121.943 122.820 -0.492 0.000 2.587 541 A HA 0.760 5.078 4.320 -0.003 0.000 0.293 541 A C -1.815 175.548 177.584 -0.368 0.000 1.087 541 A CA -0.748 50.919 52.037 -0.618 0.000 0.692 541 A CB 1.450 19.674 19.000 -1.293 0.000 1.291 541 A HN 0.643 nan 8.150 nan 0.000 0.407 542 I N 0.171 120.558 120.570 -0.304 0.000 2.582 542 I HA 0.683 4.851 4.170 -0.003 0.000 0.292 542 I C -0.645 175.356 176.117 -0.194 0.000 1.066 542 I CA 0.291 61.493 61.300 -0.164 0.000 1.053 542 I CB 2.438 40.407 38.000 -0.052 0.000 1.241 542 I HN 0.581 nan 8.210 nan 0.000 0.421 543 T N 5.457 119.931 114.554 -0.133 0.000 2.824 543 T HA 0.903 5.251 4.350 -0.003 0.000 0.282 543 T C -0.361 174.331 174.700 -0.012 0.000 0.993 543 T CA -0.573 61.480 62.100 -0.078 0.000 0.967 543 T CB 1.478 70.335 68.868 -0.018 0.000 0.960 543 T HN 0.940 nan 8.240 nan 0.000 0.441 544 G N 2.842 111.627 108.800 -0.024 0.000 2.576 544 G HA2 0.613 4.572 3.960 -0.003 0.000 0.290 544 G HA3 0.613 4.572 3.960 -0.003 0.000 0.290 544 G C -3.423 171.463 174.900 -0.022 0.000 1.442 544 G CA -1.214 43.878 45.100 -0.014 0.000 0.792 544 G HN 0.396 nan 8.290 nan 0.000 0.491 545 P HA 0.116 nan 4.420 nan 0.000 0.265 545 P C 0.780 178.059 177.300 -0.036 0.000 1.193 545 P CA 0.068 63.159 63.100 -0.015 0.000 0.765 545 P CB 0.729 32.422 31.700 -0.011 0.000 0.823 546 E N 3.052 123.240 120.200 -0.021 0.000 2.268 546 E HA -0.132 4.217 4.350 -0.003 0.000 0.195 546 E C 0.118 176.693 176.600 -0.041 0.000 0.995 546 E CA 0.649 57.032 56.400 -0.028 0.000 0.836 546 E CB -0.085 29.621 29.700 0.010 0.000 0.763 546 E HN 0.632 nan 8.360 nan 0.000 0.491 547 E N 0.158 120.341 120.200 -0.029 0.000 2.416 547 E HA 0.180 4.528 4.350 -0.003 0.000 0.280 547 E C -1.307 175.281 176.600 -0.020 0.000 1.055 547 E CA -1.056 55.326 56.400 -0.029 0.000 0.825 547 E CB 0.550 30.239 29.700 -0.019 0.000 1.312 547 E HN 0.041 nan 8.360 nan 0.000 0.452 548 E N 0.305 120.494 120.200 -0.019 0.000 2.585 548 E HA 0.161 4.509 4.350 -0.003 0.000 0.252 548 E C 0.718 177.314 176.600 -0.006 0.000 0.981 548 E CA 1.510 57.903 56.400 -0.011 0.000 0.943 548 E CB -0.150 29.544 29.700 -0.009 0.000 0.923 548 E HN 0.861 nan 8.360 nan 0.000 0.486 549 G N 2.951 111.749 108.800 -0.003 0.000 2.153 549 G HA2 -0.252 3.706 3.960 -0.003 0.000 0.252 549 G HA3 -0.252 3.706 3.960 -0.003 0.000 0.252 549 G C 0.345 175.246 174.900 0.001 0.000 0.994 549 G CA 0.100 45.200 45.100 -0.000 0.000 0.698 549 G HN 0.844 nan 8.290 nan 0.000 0.521 550 G N -1.189 107.612 108.800 0.001 0.000 2.705 550 G HA2 0.685 4.643 3.960 -0.003 0.000 0.299 550 G HA3 0.685 4.643 3.960 -0.003 0.000 0.299 550 G C 0.220 175.127 174.900 0.011 0.000 1.315 550 G CA -0.948 44.155 45.100 0.005 0.000 1.045 550 G HN 0.477 nan 8.290 nan 0.000 0.517 551 R N -1.111 119.400 120.500 0.018 0.000 2.707 551 R HA 0.280 4.619 4.340 -0.003 0.000 0.270 551 R C 0.020 176.338 176.300 0.029 0.000 1.083 551 R CA -0.284 55.833 56.100 0.027 0.000 1.182 551 R CB 0.464 30.785 30.300 0.035 0.000 1.084 551 R HN 0.270 nan 8.270 nan 0.000 0.528 552 L N 1.543 122.788 121.223 0.037 0.000 2.395 552 L HA 0.229 4.567 4.340 -0.003 0.000 0.269 552 L C 0.520 177.409 176.870 0.031 0.000 1.133 552 L CA -0.096 54.765 54.840 0.035 0.000 0.812 552 L CB 0.605 42.697 42.059 0.056 0.000 1.125 552 L HN 0.707 nan 8.230 nan 0.000 0.452 553 E N 0.512 120.713 120.200 0.002 0.000 2.288 553 E HA 0.615 4.963 4.350 -0.003 0.000 0.268 553 E C -1.434 175.117 176.600 -0.082 0.000 0.885 553 E CA -0.850 55.536 56.400 -0.023 0.000 0.767 553 E CB 2.172 31.864 29.700 -0.012 0.000 1.220 553 E HN 0.375 nan 8.360 nan 0.000 0.427 554 T N 2.637 117.112 114.554 -0.132 0.000 2.848 554 T HA 0.466 4.815 4.350 -0.003 0.000 0.285 554 T C -0.386 174.093 174.700 -0.368 0.000 0.995 554 T CA -0.548 61.428 62.100 -0.207 0.000 0.970 554 T CB 0.555 69.346 68.868 -0.129 0.000 0.976 554 T HN 0.389 nan 8.240 nan 0.000 0.441 555 I N 3.682 123.973 120.570 -0.465 0.000 2.378 555 I HA 0.432 4.600 4.170 -0.003 0.000 0.291 555 I C -0.501 175.321 176.117 -0.492 0.000 0.992 555 I CA -0.883 60.026 61.300 -0.653 0.000 1.154 555 I CB 1.452 39.005 38.000 -0.745 0.000 1.315 555 I HN 0.320 nan 8.210 nan 0.000 0.448 556 L N 5.468 126.425 121.223 -0.444 0.000 2.282 556 L HA 0.523 4.861 4.340 -0.003 0.000 0.288 556 L C 0.894 177.522 176.870 -0.403 0.000 1.033 556 L CA -0.664 53.944 54.840 -0.387 0.000 0.807 556 L CB 1.325 43.255 42.059 -0.214 0.000 1.209 556 L HN 0.684 nan 8.230 nan 0.000 0.423 557 G N 1.231 109.836 108.800 -0.324 0.000 2.559 557 G HA2 -0.042 3.917 3.960 -0.003 0.000 0.235 557 G HA3 -0.042 3.917 3.960 -0.003 0.000 0.235 557 G C 0.366 175.147 174.900 -0.199 0.000 1.266 557 G CA -0.205 44.741 45.100 -0.257 0.000 0.847 557 G HN 0.859 nan 8.290 nan 0.000 0.583 558 W N 1.348 122.639 121.300 -0.016 0.000 2.321 558 W HA -0.061 4.598 4.660 -0.003 0.000 0.306 558 W C -0.203 176.285 176.519 -0.052 0.000 1.217 558 W CA 1.220 58.550 57.345 -0.024 0.000 1.257 558 W CB -0.760 28.698 29.460 -0.003 0.000 1.145 558 W HN 0.501 nan 8.180 nan 0.000 0.509 559 P HA -0.205 nan 4.420 nan 0.000 0.216 559 P C 1.678 178.971 177.300 -0.011 0.000 1.150 559 P CA 1.331 64.484 63.100 0.089 0.000 0.837 559 P CB -0.225 31.509 31.700 0.056 0.000 0.786 560 L N -0.453 120.737 121.223 -0.054 0.000 2.072 560 L HA 0.063 4.402 4.340 -0.003 0.000 0.205 560 L C 2.185 178.981 176.870 -0.123 0.000 1.079 560 L CA 1.756 56.528 54.840 -0.114 0.000 0.752 560 L CB -1.585 40.385 42.059 -0.150 0.000 0.906 560 L HN -0.142 nan 8.230 nan 0.000 0.436 561 A N -0.558 122.209 122.820 -0.088 0.000 1.940 561 A HA -0.247 4.071 4.320 -0.003 0.000 0.219 561 A C 2.148 179.640 177.584 -0.152 0.000 1.176 561 A CA 1.927 53.889 52.037 -0.125 0.000 0.631 561 A CB -0.670 18.279 19.000 -0.085 0.000 0.814 561 A HN 0.629 nan 8.150 nan 0.000 0.446 562 E N -0.496 119.663 120.200 -0.067 0.000 2.204 562 E HA -0.189 4.159 4.350 -0.003 0.000 0.195 562 E C 1.793 178.253 176.600 -0.233 0.000 0.990 562 E CA 1.197 57.568 56.400 -0.049 0.000 0.821 562 E CB -0.140 29.642 29.700 0.136 0.000 0.750 562 E HN 0.818 nan 8.360 nan 0.000 0.477 563 R N 1.192 121.373 120.500 -0.531 0.000 2.356 563 R HA 0.075 4.413 4.340 -0.003 0.000 0.234 563 R C 0.558 176.759 176.300 -0.164 0.000 0.929 563 R CA 0.136 55.812 56.100 -0.706 0.000 1.084 563 R CB -0.349 29.323 30.300 -1.046 0.000 1.105 563 R HN -0.059 nan 8.270 nan 0.000 0.515 564 T N -1.571 112.928 114.554 -0.093 0.000 2.788 564 T HA 0.370 4.718 4.350 -0.003 0.000 0.287 564 T C 0.219 174.927 174.700 0.013 0.000 1.007 564 T CA -0.601 61.512 62.100 0.021 0.000 1.005 564 T CB 1.808 70.657 68.868 -0.031 0.000 1.012 564 T HN -0.059 nan 8.240 nan 0.000 0.530 565 V N 1.300 121.201 119.914 -0.022 0.000 2.531 565 V HA 0.525 4.643 4.120 -0.003 0.000 0.301 565 V C -0.522 175.544 176.094 -0.046 0.000 1.034 565 V CA -0.765 61.422 62.300 -0.189 0.000 0.865 565 V CB 1.814 33.209 31.823 -0.713 0.000 0.995 565 V HN 0.883 nan 8.190 nan 0.000 0.424 566 V N 6.725 126.613 119.914 -0.043 0.000 2.448 566 V HA 0.630 4.748 4.120 -0.003 0.000 0.295 566 V C -0.199 175.881 176.094 -0.025 0.000 1.025 566 V CA -0.460 61.864 62.300 0.041 0.000 0.859 566 V CB 1.672 33.509 31.823 0.023 0.000 0.988 566 V HN 0.814 nan 8.190 nan 0.000 0.431 567 I N 2.513 123.109 120.570 0.043 0.000 3.108 567 I HA 0.790 4.959 4.170 -0.003 0.000 0.312 567 I C -2.915 173.160 176.117 -0.070 0.000 1.095 567 I CA -3.072 58.176 61.300 -0.087 0.000 1.000 567 I CB 2.518 40.490 38.000 -0.046 0.000 1.229 567 I HN 0.323 nan 8.210 nan 0.000 0.454 568 P HA 0.123 nan 4.420 nan 0.000 0.272 568 P C -0.685 176.644 177.300 0.048 0.000 1.223 568 P CA -0.104 62.803 63.100 -0.322 0.000 0.784 568 P CB 0.936 32.020 31.700 -1.027 0.000 0.923 569 S N 1.392 117.248 115.700 0.259 0.000 2.632 569 S HA 0.486 4.955 4.470 -0.003 0.000 0.271 569 S C 1.050 175.966 174.600 0.526 0.000 1.260 569 S CA -0.188 58.280 58.200 0.447 0.000 1.010 569 S CB 0.254 63.753 63.200 0.498 0.000 0.965 569 S HN 0.400 nan 8.310 nan 0.000 0.534 570 A N 3.662 126.774 122.820 0.487 0.000 2.251 570 A HA 0.366 4.685 4.320 -0.003 0.000 0.209 570 A C 0.534 178.275 177.584 0.262 0.000 1.187 570 A CA -0.106 52.162 52.037 0.385 0.000 0.823 570 A CB -0.487 18.628 19.000 0.191 0.000 0.846 570 A HN 0.779 nan 8.150 nan 0.000 0.486 571 I N 2.861 123.586 120.570 0.257 0.000 2.337 571 I HA 0.194 4.363 4.170 -0.003 0.000 0.291 571 I C -2.029 174.221 176.117 0.222 0.000 1.046 571 I CA -1.827 59.585 61.300 0.186 0.000 1.324 571 I CB 1.194 39.272 38.000 0.130 0.000 1.409 571 I HN 0.157 nan 8.210 nan 0.000 0.494 572 P HA 0.215 nan 4.420 nan 0.000 0.279 572 P C -0.534 176.925 177.300 0.265 0.000 1.252 572 P CA -0.342 62.884 63.100 0.211 0.000 0.811 572 P CB 1.188 32.989 31.700 0.168 0.000 1.035 573 T N -2.055 112.621 114.554 0.203 0.000 2.918 573 T HA 0.293 4.641 4.350 -0.003 0.000 0.283 573 T C -0.262 174.536 174.700 0.163 0.000 1.001 573 T CA -0.627 61.568 62.100 0.157 0.000 1.041 573 T CB 0.659 69.500 68.868 -0.045 0.000 1.028 573 T HN 0.258 nan 8.240 nan 0.000 0.511 574 D N 2.390 122.900 120.400 0.185 0.000 2.412 574 D HA 0.306 4.944 4.640 -0.003 0.000 0.224 574 D C -1.153 175.199 176.300 0.086 0.000 1.093 574 D CA -2.585 51.499 54.000 0.140 0.000 0.850 574 D CB 1.569 42.468 40.800 0.166 0.000 1.046 574 D HN 0.253 nan 8.370 nan 0.000 0.507 575 P HA -0.112 nan 4.420 nan 0.000 0.222 575 P C 0.875 178.202 177.300 0.045 0.000 1.147 575 P CA 0.656 63.788 63.100 0.052 0.000 0.790 575 P CB 0.510 32.243 31.700 0.055 0.000 0.780 576 R N -0.934 119.595 120.500 0.050 0.000 2.300 576 R HA 0.158 4.496 4.340 -0.003 0.000 0.199 576 R C 0.548 176.872 176.300 0.041 0.000 0.920 576 R CA 0.209 56.334 56.100 0.041 0.000 1.046 576 R CB 0.031 30.354 30.300 0.038 0.000 0.984 576 R HN 0.146 nan 8.270 nan 0.000 0.493 577 N N 0.513 119.245 118.700 0.053 0.000 2.622 577 N HA 0.089 4.827 4.740 -0.003 0.000 0.304 577 N C -1.059 174.488 175.510 0.061 0.000 1.844 577 N CA -0.045 53.038 53.050 0.055 0.000 0.886 577 N CB 1.810 40.336 38.487 0.065 0.000 1.366 577 N HN -0.151 nan 8.380 nan 0.000 0.491 578 V N 0.247 120.182 119.914 0.035 0.000 2.493 578 V HA 0.271 4.389 4.120 -0.003 0.000 0.292 578 V C 1.500 177.598 176.094 0.006 0.000 1.016 578 V CA 1.114 63.420 62.300 0.010 0.000 1.097 578 V CB 0.498 32.318 31.823 -0.005 0.000 0.947 578 V HN 0.738 nan 8.190 nan 0.000 0.479 579 G N 3.707 112.508 108.800 0.001 0.000 2.218 579 G HA2 -0.119 3.840 3.960 -0.003 0.000 0.216 579 G HA3 -0.119 3.840 3.960 -0.003 0.000 0.216 579 G C 0.527 175.445 174.900 0.031 0.000 0.994 579 G CA -0.158 44.939 45.100 -0.005 0.000 0.637 579 G HN 1.251 nan 8.290 nan 0.000 0.505 580 G N -0.185 108.661 108.800 0.077 0.000 2.580 580 G HA2 0.495 4.454 3.960 -0.003 0.000 0.278 580 G HA3 0.495 4.454 3.960 -0.003 0.000 0.278 580 G C -0.498 174.487 174.900 0.141 0.000 1.212 580 G CA 0.099 45.249 45.100 0.084 0.000 0.939 580 G HN 0.182 nan 8.290 nan 0.000 0.513 581 D N -0.678 119.751 120.400 0.048 0.000 2.283 581 D HA 0.190 4.828 4.640 -0.003 0.000 0.248 581 D C 0.351 176.515 176.300 -0.226 0.000 1.072 581 D CA -0.425 53.563 54.000 -0.019 0.000 0.929 581 D CB 1.984 42.754 40.800 -0.051 0.000 1.182 581 D HN 0.151 nan 8.370 nan 0.000 0.433 582 L N 1.909 122.806 121.223 -0.544 0.000 2.513 582 L HA 0.017 4.355 4.340 -0.003 0.000 0.272 582 L C 0.021 176.633 176.870 -0.430 0.000 1.187 582 L CA 0.059 54.321 54.840 -0.964 0.000 0.895 582 L CB 0.072 41.589 42.059 -0.902 0.000 1.147 582 L HN 0.184 nan 8.230 nan 0.000 0.483 583 D N 7.709 127.905 120.400 -0.341 0.000 2.352 583 D HA 0.185 4.824 4.640 -0.003 0.000 0.245 583 D C -1.592 174.615 176.300 -0.154 0.000 1.224 583 D CA -2.092 51.803 54.000 -0.175 0.000 0.879 583 D CB 1.232 41.967 40.800 -0.108 0.000 1.057 583 D HN 0.428 nan 8.370 nan 0.000 0.491 584 P HA -0.226 nan 4.420 nan 0.000 0.217 584 P C 1.078 178.337 177.300 -0.067 0.000 1.148 584 P CA 1.056 64.099 63.100 -0.096 0.000 0.834 584 P CB 0.021 31.677 31.700 -0.072 0.000 0.783 585 S N -0.244 115.423 115.700 -0.056 0.000 2.507 585 S HA -0.065 4.403 4.470 -0.003 0.000 0.235 585 S C 1.929 176.511 174.600 -0.029 0.000 0.988 585 S CA 1.087 59.266 58.200 -0.036 0.000 0.944 585 S CB -1.284 61.899 63.200 -0.028 0.000 0.762 585 S HN 0.348 nan 8.310 nan 0.000 0.526 586 S N 0.704 116.379 115.700 -0.041 0.000 2.548 586 S HA 0.321 4.789 4.470 -0.003 0.000 0.215 586 S C 0.473 175.067 174.600 -0.009 0.000 0.976 586 S CA -0.587 57.602 58.200 -0.019 0.000 0.908 586 S CB -0.683 62.504 63.200 -0.022 0.000 0.781 586 S HN 0.546 nan 8.310 nan 0.000 0.519 587 I N 3.381 123.934 120.570 -0.028 0.000 2.379 587 I HA 0.288 4.456 4.170 -0.003 0.000 0.290 587 I C -2.520 173.597 176.117 0.000 0.000 1.063 587 I CA -2.349 58.942 61.300 -0.015 0.000 1.351 587 I CB 0.588 38.565 38.000 -0.038 0.000 1.410 587 I HN -0.027 nan 8.210 nan 0.000 0.505 588 P HA 0.019 nan 4.420 nan 0.000 0.267 588 P C 0.083 177.381 177.300 -0.003 0.000 1.205 588 P CA -0.042 63.063 63.100 0.008 0.000 0.765 588 P CB 0.599 32.309 31.700 0.015 0.000 0.828 589 D N 2.546 122.940 120.400 -0.010 0.000 2.149 589 D HA -0.161 4.477 4.640 -0.003 0.000 0.198 589 D C 1.376 177.662 176.300 -0.024 0.000 0.990 589 D CA 1.501 55.492 54.000 -0.015 0.000 0.839 589 D CB 0.022 40.813 40.800 -0.015 0.000 0.948 589 D HN 0.445 nan 8.370 nan 0.000 0.460 590 K N 0.288 120.671 120.400 -0.029 0.000 2.211 590 K HA -0.110 4.208 4.320 -0.003 0.000 0.203 590 K C 1.978 178.537 176.600 -0.067 0.000 1.050 590 K CA 0.641 56.901 56.287 -0.046 0.000 0.945 590 K CB 0.104 32.576 32.500 -0.046 0.000 0.732 590 K HN 0.185 nan 8.250 nan 0.000 0.451 591 E N 1.259 121.431 120.200 -0.047 0.000 2.076 591 E HA -0.176 4.173 4.350 -0.003 0.000 0.190 591 E C 1.921 178.479 176.600 -0.070 0.000 0.979 591 E CA 0.860 57.225 56.400 -0.059 0.000 0.807 591 E CB 0.178 29.893 29.700 0.025 0.000 0.761 591 E HN 0.213 nan 8.360 nan 0.000 0.454 592 Q N -0.140 119.645 119.800 -0.024 0.000 2.152 592 Q HA -0.187 4.151 4.340 -0.003 0.000 0.206 592 Q C 2.109 178.083 176.000 -0.043 0.000 0.985 592 Q CA 1.413 57.209 55.803 -0.011 0.000 0.863 592 Q CB -0.188 28.550 28.738 -0.000 0.000 0.904 592 Q HN 0.398 nan 8.270 nan 0.000 0.422 593 A N 0.901 123.685 122.820 -0.060 0.000 2.125 593 A HA -0.104 4.214 4.320 -0.003 0.000 0.219 593 A C 1.690 179.210 177.584 -0.105 0.000 1.156 593 A CA 0.966 52.965 52.037 -0.063 0.000 0.671 593 A CB -0.499 18.470 19.000 -0.052 0.000 0.794 593 A HN 0.540 nan 8.150 nan 0.000 0.459 594 I N -5.152 115.294 120.570 -0.206 0.000 3.856 594 I HA 0.346 4.514 4.170 -0.003 0.000 0.330 594 I C 0.302 176.175 176.117 -0.407 0.000 1.546 594 I CA 0.103 61.187 61.300 -0.360 0.000 1.132 594 I CB 0.738 38.260 38.000 -0.797 0.000 1.157 594 I HN -0.042 nan 8.210 nan 0.000 0.440 595 S N 1.376 116.937 115.700 -0.231 0.000 2.663 595 S HA 0.545 5.013 4.470 -0.003 0.000 0.243 595 S C 0.959 175.656 174.600 0.161 0.000 1.009 595 S CA -0.282 57.814 58.200 -0.173 0.000 0.988 595 S CB 0.389 63.533 63.200 -0.093 0.000 0.896 595 S HN 0.560 nan 8.310 nan 0.000 0.502 596 A N 1.867 124.744 122.820 0.094 0.000 2.406 596 A HA 0.571 4.889 4.320 -0.003 0.000 0.243 596 A C -0.111 177.546 177.584 0.122 0.000 1.082 596 A CA 0.037 52.126 52.037 0.087 0.000 0.786 596 A CB 0.143 19.161 19.000 0.030 0.000 1.029 596 A HN 0.299 nan 8.150 nan 0.000 0.495 597 L N 1.022 122.254 121.223 0.015 0.000 2.334 597 L HA 0.536 4.874 4.340 -0.003 0.000 0.270 597 L C -1.883 174.829 176.870 -0.263 0.000 1.018 597 L CA -1.660 53.116 54.840 -0.107 0.000 0.811 597 L CB 0.222 42.193 42.059 -0.146 0.000 1.271 597 L HN 0.508 nan 8.230 nan 0.000 0.443 598 P HA 0.136 nan 4.420 nan 0.000 0.274 598 P C -0.901 175.968 177.300 -0.718 0.000 1.256 598 P CA -0.442 62.380 63.100 -0.463 0.000 0.795 598 P CB 0.439 31.903 31.700 -0.392 0.000 1.038 599 D N 0.584 120.731 120.400 -0.421 0.000 2.339 599 D HA 0.094 4.732 4.640 -0.003 0.000 0.241 599 D C -0.964 175.211 176.300 -0.209 0.000 1.183 599 D CA -0.109 53.707 54.000 -0.307 0.000 0.859 599 D CB -0.152 40.558 40.800 -0.150 0.000 1.067 599 D HN 0.080 nan 8.370 nan 0.000 0.484 600 Y N 1.390 121.662 120.300 -0.048 0.000 2.335 600 Y HA 0.517 5.065 4.550 -0.003 0.000 0.323 600 Y C 0.872 176.754 175.900 -0.030 0.000 1.224 600 Y CA -1.692 56.386 58.100 -0.038 0.000 1.241 600 Y CB 0.901 39.373 38.460 0.020 0.000 1.235 600 Y HN 0.413 nan 8.280 nan 0.000 0.492 601 A N 0.825 123.708 122.820 0.106 0.000 2.450 601 A HA 0.390 4.708 4.320 -0.003 0.000 0.255 601 A C 0.764 178.464 177.584 0.193 0.000 1.096 601 A CA 0.154 52.237 52.037 0.077 0.000 0.778 601 A CB -0.120 18.845 19.000 -0.058 0.000 1.031 601 A HN 0.857 nan 8.150 nan 0.000 0.494 602 S N 1.298 117.092 115.700 0.158 0.000 2.540 602 S HA 0.220 4.688 4.470 -0.003 0.000 0.218 602 S C 0.403 175.082 174.600 0.130 0.000 0.977 602 S CA -0.101 58.184 58.200 0.142 0.000 0.918 602 S CB -0.008 63.247 63.200 0.092 0.000 0.806 602 S HN 0.765 nan 8.310 nan 0.000 0.496 603 Q N 1.521 121.415 119.800 0.156 0.000 2.423 603 Q HA 0.539 4.877 4.340 -0.003 0.000 0.278 603 Q C -2.962 173.132 176.000 0.157 0.000 1.097 603 Q CA -2.584 53.285 55.803 0.110 0.000 0.809 603 Q CB 2.122 30.905 28.738 0.076 0.000 1.391 603 Q HN 0.154 nan 8.270 nan 0.000 0.428 604 P HA 0.032 nan 4.420 nan 0.000 0.272 604 P C -0.201 177.163 177.300 0.107 0.000 1.230 604 P CA -0.104 63.008 63.100 0.020 0.000 0.788 604 P CB 0.471 32.124 31.700 -0.078 0.000 0.949 605 G N 0.526 109.417 108.800 0.152 0.000 2.414 605 G HA2 0.435 4.393 3.960 -0.003 0.000 0.236 605 G HA3 0.435 4.393 3.960 -0.003 0.000 0.236 605 G C 0.164 175.103 174.900 0.065 0.000 1.293 605 G CA -0.075 45.099 45.100 0.124 0.000 0.869 605 G HN 0.814 nan 8.290 nan 0.000 0.556 606 K N 0.000 120.432 120.400 0.053 0.000 2.780 606 K HA 0.000 4.318 4.320 -0.003 0.000 0.191 606 K CA 0.000 56.307 56.287 0.034 0.000 0.838 606 K CB 0.000 32.517 32.500 0.029 0.000 1.064 606 K HN 0.000 nan 8.250 nan 0.000 0.543