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 1qgr_1_A DATA FIRST_RESID 1 DATA SEQUENCE MELITILEKT VSPDRLELEA AQKFLERAAV ENLPTFLVEL SRVLANPGNS DATA SEQUENCE QVARVAAGLQ IKNSLTSKDP DIKAQYQQRW LAIDANARRE VKNYVLHTLG DATA SEQUENCE TETYRPSSAS QCVAGIACAE IPVNQWPELI PQLVANVTNP NSTEHMKEST DATA SEQUENCE LEAIGYICQD IDPEQLQDKS NEILTAIIQG MRKEEPSNNV KLAATNALLN DATA SEQUENCE SLEFTKANFD KESERHFIMQ VVCEATQCPD TRVRVAALQN LVKIMSLYYQ DATA SEQUENCE YMETYMGPAL FAITIEAMKS DIDEVALQGI EFWSNVCDEE MDLAIEASEA DATA SEQUENCE AEQGRPPEHT SKFYAKGALQ YLVPILTQTL TKQDENDDDD DWNPCKAAGV DATA SEQUENCE CLMLLATCCE DDIVPHVLPF IKEHIKNPDW RYRDAAVMAF GCILEGPEPS DATA SEQUENCE QLKPLVIQAM PTLIELMKDP SVVVRDTAAW TVGRICELLP EAAINDVYLA DATA SEQUENCE PLLQCLIEGL SAEPRVASNV CWAFSSLAEA AYEAADVADD QEEPATYCLS DATA SEQUENCE SSFELIVQKL LETTDRPDGH QNNLRSSAYE SLMEIVKNSA KDCYPAVQKT DATA SEQUENCE TLVIMERLQQ VLQMESHIQS TSDRIQFNDL QSLLCATLQN VLRKVQHQDA DATA SEQUENCE LQISDVVMAS LLRMFQXXXX SGGVQEDALM AVSTLVEVLG GEFLKYMEAF DATA SEQUENCE KPFLGIGLKN YAEYQVCLAA VGLVGDLCRA LQSNIIPFCD EVMQLLLENL DATA SEQUENCE GNENVHRSVK PQILSVFGDI ALAIGGEFKK YLEVVLNTLQ QASQAQVDKS DATA SEQUENCE DYDMVDYLNE LRESCLEAYT GIVQGLKGDQ ENVHPDVMLV QPRVEFILSF DATA SEQUENCE IDHIAGDEDH TDGVVACAAG LIGDLCTAFG KDVLKLVEAR PMIHELLTEG DATA SEQUENCE RRSKTNKAKT LARWATKELR KLKNQA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.232 176.300 -0.113 0.000 1.140 1 M CA 0.000 55.205 55.300 -0.158 0.000 0.988 1 M CB 0.000 32.406 32.600 -0.323 0.000 1.302 2 E N 2.058 122.226 120.200 -0.053 0.000 2.436 2 E HA 0.081 4.480 4.350 0.082 0.000 0.262 2 E C 0.840 177.454 176.600 0.024 0.000 1.063 2 E CA -0.068 56.329 56.400 -0.004 0.000 0.944 2 E CB 1.673 31.370 29.700 -0.005 0.000 0.950 2 E HN 0.632 nan 8.360 nan 0.000 0.444 3 L N 2.324 123.596 121.223 0.081 0.000 2.042 3 L HA -0.243 4.146 4.340 0.082 0.000 0.210 3 L C 2.029 178.942 176.870 0.072 0.000 1.076 3 L CA 1.140 56.062 54.840 0.136 0.000 0.749 3 L CB -0.075 42.051 42.059 0.110 0.000 0.893 3 L HN 0.598 nan 8.230 nan 0.000 0.432 4 I N -0.403 120.183 120.570 0.028 0.000 2.264 4 I HA -0.284 3.935 4.170 0.082 0.000 0.248 4 I C 2.453 178.573 176.117 0.005 0.000 1.111 4 I CA 1.531 62.836 61.300 0.008 0.000 1.382 4 I CB -0.821 37.177 38.000 -0.004 0.000 1.060 4 I HN 0.181 nan 8.210 nan 0.000 0.418 5 T N 0.419 114.971 114.554 -0.003 0.000 2.701 5 T HA -0.104 4.296 4.350 0.082 0.000 0.263 5 T C 1.917 176.608 174.700 -0.015 0.000 1.040 5 T CA 1.391 63.479 62.100 -0.020 0.000 1.147 5 T CB -0.257 68.585 68.868 -0.044 0.000 0.865 5 T HN 0.082 nan 8.240 nan 0.000 0.426 6 I N 1.172 121.739 120.570 -0.006 0.000 2.208 6 I HA -0.102 4.117 4.170 0.082 0.000 0.245 6 I C 2.211 178.370 176.117 0.070 0.000 1.097 6 I CA 1.093 62.411 61.300 0.031 0.000 1.363 6 I CB -0.720 37.357 38.000 0.128 0.000 1.051 6 I HN 0.204 nan 8.210 nan 0.000 0.413 7 L N -0.287 120.978 121.223 0.070 0.000 2.046 7 L HA -0.225 4.164 4.340 0.082 0.000 0.208 7 L C 2.404 179.283 176.870 0.015 0.000 1.077 7 L CA 1.416 56.283 54.840 0.045 0.000 0.747 7 L CB -0.647 41.425 42.059 0.021 0.000 0.896 7 L HN 0.298 nan 8.230 nan 0.000 0.432 8 E N -0.154 120.049 120.200 0.004 0.000 2.204 8 E HA -0.211 4.189 4.350 0.082 0.000 0.194 8 E C 1.829 178.426 176.600 -0.004 0.000 0.989 8 E CA 0.697 57.092 56.400 -0.008 0.000 0.824 8 E CB 0.117 29.810 29.700 -0.012 0.000 0.756 8 E HN 0.182 nan 8.360 nan 0.000 0.477 9 K N -0.055 120.347 120.400 0.003 0.000 2.432 9 K HA -0.043 4.326 4.320 0.082 0.000 0.196 9 K C 1.789 178.397 176.600 0.012 0.000 1.038 9 K CA 0.926 57.215 56.287 0.004 0.000 0.986 9 K CB -0.208 32.292 32.500 0.001 0.000 0.782 9 K HN 0.176 nan 8.250 nan 0.000 0.485 10 T N -2.989 111.576 114.554 0.018 0.000 3.163 10 T HA 0.002 4.401 4.350 0.082 0.000 0.260 10 T C 1.383 176.087 174.700 0.006 0.000 1.156 10 T CA 0.403 62.514 62.100 0.020 0.000 1.072 10 T CB -0.022 68.861 68.868 0.025 0.000 0.937 10 T HN -0.129 nan 8.240 nan 0.000 0.528 11 V N 1.125 121.039 119.914 -0.001 0.000 3.621 11 V HA 0.244 4.413 4.120 0.082 0.000 0.285 11 V C 1.258 177.349 176.094 -0.004 0.000 1.346 11 V CA 0.009 62.305 62.300 -0.007 0.000 1.104 11 V CB 0.143 31.957 31.823 -0.015 0.000 0.913 11 V HN 0.604 nan 8.190 nan 0.000 0.432 12 S N 2.745 118.445 115.700 -0.001 0.000 2.533 12 S HA 0.166 4.685 4.470 0.082 0.000 0.282 12 S C -1.098 173.502 174.600 0.000 0.000 1.304 12 S CA -0.802 57.398 58.200 -0.001 0.000 1.063 12 S CB 1.008 64.207 63.200 -0.001 0.000 0.881 12 S HN 0.326 nan 8.310 nan 0.000 0.493 13 P HA 0.171 nan 4.420 nan 0.000 0.255 13 P C -0.615 176.685 177.300 0.000 0.000 1.427 13 P CA -0.021 63.079 63.100 -0.000 0.000 0.863 13 P CB -0.236 31.463 31.700 -0.001 0.000 1.444 14 D N 0.536 120.937 120.400 0.001 0.000 2.454 14 D HA 0.119 4.808 4.640 0.082 0.000 0.225 14 D C 1.354 177.656 176.300 0.003 0.000 1.081 14 D CA -0.633 53.367 54.000 0.001 0.000 0.864 14 D CB 0.936 41.736 40.800 -0.001 0.000 1.040 14 D HN -0.308 nan 8.370 nan 0.000 0.517 15 R N 2.998 123.500 120.500 0.003 0.000 2.159 15 R HA -0.211 4.179 4.340 0.082 0.000 0.252 15 R C 1.728 178.032 176.300 0.007 0.000 1.144 15 R CA 1.572 57.675 56.100 0.005 0.000 0.961 15 R CB -0.671 29.631 30.300 0.003 0.000 0.877 15 R HN 0.502 nan 8.270 nan 0.000 0.444 16 L N 0.205 121.431 121.223 0.005 0.000 2.044 16 L HA -0.054 4.335 4.340 0.082 0.000 0.205 16 L C 2.196 179.070 176.870 0.007 0.000 1.075 16 L CA 2.265 57.108 54.840 0.006 0.000 0.747 16 L CB -0.766 41.295 42.059 0.002 0.000 0.903 16 L HN 0.314 nan 8.230 nan 0.000 0.435 17 E N -0.665 119.538 120.200 0.004 0.000 2.085 17 E HA -0.270 4.129 4.350 0.082 0.000 0.194 17 E C 2.105 178.712 176.600 0.012 0.000 0.994 17 E CA 1.606 58.008 56.400 0.003 0.000 0.801 17 E CB -0.463 29.236 29.700 -0.001 0.000 0.743 17 E HN 0.357 nan 8.360 nan 0.000 0.453 18 L N 0.967 122.198 121.223 0.013 0.000 2.083 18 L HA -0.090 4.300 4.340 0.082 0.000 0.209 18 L C 2.198 179.084 176.870 0.027 0.000 1.083 18 L CA 2.100 56.951 54.840 0.019 0.000 0.752 18 L CB -0.408 41.659 42.059 0.014 0.000 0.899 18 L HN 0.276 nan 8.230 nan 0.000 0.433 19 E N -1.267 118.947 120.200 0.023 0.000 2.216 19 E HA -0.100 4.299 4.350 0.082 0.000 0.192 19 E C 2.077 178.700 176.600 0.038 0.000 0.988 19 E CA 0.708 57.124 56.400 0.028 0.000 0.834 19 E CB 0.020 29.732 29.700 0.020 0.000 0.772 19 E HN 0.568 nan 8.360 nan 0.000 0.479 20 A N 1.229 124.070 122.820 0.035 0.000 1.873 20 A HA -0.029 4.340 4.320 0.082 0.000 0.215 20 A C 2.409 180.042 177.584 0.083 0.000 1.186 20 A CA 1.483 53.547 52.037 0.044 0.000 0.616 20 A CB -0.779 18.232 19.000 0.018 0.000 0.823 20 A HN 0.370 nan 8.150 nan 0.000 0.442 21 A N -1.196 121.669 122.820 0.075 0.000 1.940 21 A HA -0.205 4.164 4.320 0.082 0.000 0.219 21 A C 2.112 179.790 177.584 0.156 0.000 1.176 21 A CA 2.084 54.193 52.037 0.121 0.000 0.631 21 A CB -0.472 18.577 19.000 0.081 0.000 0.814 21 A HN 0.474 nan 8.150 nan 0.000 0.446 22 Q N -0.516 119.343 119.800 0.097 0.000 2.046 22 Q HA -0.087 4.302 4.340 0.082 0.000 0.200 22 Q C 2.122 178.157 176.000 0.057 0.000 0.975 22 Q CA 1.887 57.733 55.803 0.072 0.000 0.836 22 Q CB -0.336 28.429 28.738 0.046 0.000 0.896 22 Q HN 0.574 nan 8.270 nan 0.000 0.428 23 K N -0.215 120.225 120.400 0.067 0.000 2.063 23 K HA -0.122 4.247 4.320 0.082 0.000 0.208 23 K C 1.716 178.352 176.600 0.060 0.000 1.048 23 K CA 0.986 57.302 56.287 0.048 0.000 0.928 23 K CB -0.577 31.957 32.500 0.058 0.000 0.713 23 K HN 0.192 nan 8.250 nan 0.000 0.442 24 F N 0.689 120.630 119.950 -0.015 0.000 2.134 24 F HA -0.108 4.468 4.527 0.082 0.000 0.299 24 F C 1.483 177.268 175.800 -0.025 0.000 1.097 24 F CA 1.463 59.455 58.000 -0.014 0.000 1.264 24 F CB -0.212 38.792 39.000 0.007 0.000 1.001 24 F HN -0.034 nan 8.300 nan 0.000 0.479 25 L N -0.012 121.136 121.223 -0.125 0.000 2.056 25 L HA -0.172 4.218 4.340 0.082 0.000 0.207 25 L C 2.522 179.153 176.870 -0.398 0.000 1.078 25 L CA 1.802 56.518 54.840 -0.207 0.000 0.749 25 L CB -0.964 41.153 42.059 0.097 0.000 0.901 25 L HN 0.219 nan 8.230 nan 0.000 0.433 26 E N 0.202 120.261 120.200 -0.235 0.000 2.118 26 E HA -0.233 4.167 4.350 0.082 0.000 0.195 26 E C 2.362 178.776 176.600 -0.309 0.000 0.992 26 E CA 0.941 57.192 56.400 -0.249 0.000 0.804 26 E CB 0.197 29.826 29.700 -0.118 0.000 0.741 26 E HN 0.263 nan 8.360 nan 0.000 0.458 27 R N 0.064 120.393 120.500 -0.285 0.000 2.073 27 R HA 0.000 4.389 4.340 0.082 0.000 0.229 27 R C 2.280 178.363 176.300 -0.362 0.000 1.120 27 R CA 1.106 57.052 56.100 -0.257 0.000 0.967 27 R CB -0.904 29.297 30.300 -0.165 0.000 0.862 27 R HN 0.260 nan 8.270 nan 0.000 0.436 28 A N 1.235 123.728 122.820 -0.546 0.000 1.883 28 A HA -0.116 4.254 4.320 0.082 0.000 0.217 28 A C 2.380 179.600 177.584 -0.607 0.000 1.186 28 A CA 2.023 53.741 52.037 -0.530 0.000 0.624 28 A CB -0.643 18.019 19.000 -0.562 0.000 0.822 28 A HN 0.342 nan 8.150 nan 0.000 0.444 29 A N -0.649 121.537 122.820 -1.056 0.000 1.877 29 A HA -0.007 4.362 4.320 0.082 0.000 0.216 29 A C 2.243 179.580 177.584 -0.411 0.000 1.186 29 A CA 1.823 53.274 52.037 -0.977 0.000 0.620 29 A CB -1.015 17.327 19.000 -1.096 0.000 0.822 29 A HN 0.414 nan 8.150 nan 0.000 0.443 30 V N 0.178 119.890 119.914 -0.335 0.000 2.343 30 V HA -0.284 3.886 4.120 0.082 0.000 0.247 30 V C 2.553 178.557 176.094 -0.149 0.000 1.051 30 V CA 2.372 64.557 62.300 -0.192 0.000 1.036 30 V CB -0.722 31.009 31.823 -0.154 0.000 0.654 30 V HN 0.783 nan 8.190 nan 0.000 0.451 31 E N 0.558 120.657 120.200 -0.168 0.000 2.031 31 E HA -0.211 4.188 4.350 0.082 0.000 0.193 31 E C 1.147 177.696 176.600 -0.085 0.000 0.994 31 E CA 1.502 57.834 56.400 -0.114 0.000 0.800 31 E CB 0.056 29.684 29.700 -0.119 0.000 0.752 31 E HN 0.692 nan 8.360 nan 0.000 0.447 32 N N -0.311 118.335 118.700 -0.090 0.000 2.839 32 N HA 0.026 4.815 4.740 0.082 0.000 0.230 32 N C 0.137 175.648 175.510 0.002 0.000 1.388 32 N CA -0.286 52.742 53.050 -0.037 0.000 0.747 32 N CB 0.513 38.991 38.487 -0.015 0.000 1.411 32 N HN 0.029 nan 8.380 nan 0.000 0.556 33 L N 4.460 125.679 121.223 -0.006 0.000 2.013 33 L HA 0.039 4.428 4.340 0.082 0.000 0.212 33 L C -1.023 175.929 176.870 0.137 0.000 1.073 33 L CA 2.286 57.171 54.840 0.074 0.000 0.753 33 L CB -0.792 41.289 42.059 0.037 0.000 0.890 33 L HN 0.457 nan 8.230 nan 0.000 0.432 34 P HA -0.158 nan 4.420 nan 0.000 0.214 34 P C 1.637 178.973 177.300 0.059 0.000 1.169 34 P CA 2.342 65.459 63.100 0.029 0.000 0.908 34 P CB -0.219 31.466 31.700 -0.025 0.000 0.791 35 T N -1.111 113.479 114.554 0.061 0.000 2.821 35 T HA -0.150 4.249 4.350 0.082 0.000 0.267 35 T C 1.443 176.203 174.700 0.099 0.000 1.046 35 T CA 0.936 63.073 62.100 0.062 0.000 1.139 35 T CB -1.021 67.876 68.868 0.049 0.000 0.871 35 T HN 0.014 nan 8.240 nan 0.000 0.454 36 F N 2.179 122.109 119.950 -0.033 0.000 2.043 36 F HA -0.115 4.461 4.527 0.082 0.000 0.297 36 F C 1.925 177.713 175.800 -0.020 0.000 1.121 36 F CA 1.273 59.246 58.000 -0.046 0.000 1.199 36 F CB -0.713 38.245 39.000 -0.071 0.000 0.968 36 F HN 0.044 nan 8.300 nan 0.000 0.478 37 L N -0.534 120.668 121.223 -0.035 0.000 2.042 37 L HA -0.246 4.143 4.340 0.082 0.000 0.210 37 L C 2.422 179.245 176.870 -0.078 0.000 1.076 37 L CA 1.251 56.023 54.840 -0.113 0.000 0.749 37 L CB -1.035 41.099 42.059 0.124 0.000 0.893 37 L HN 0.079 nan 8.230 nan 0.000 0.432 38 V N -0.370 119.544 119.914 -0.001 0.000 2.287 38 V HA -0.252 3.917 4.120 0.082 0.000 0.248 38 V C 2.580 178.630 176.094 -0.072 0.000 1.053 38 V CA 1.694 64.010 62.300 0.027 0.000 1.027 38 V CB -0.478 31.378 31.823 0.056 0.000 0.646 38 V HN 0.433 nan 8.190 nan 0.000 0.447 39 E N 0.043 120.185 120.200 -0.097 0.000 2.110 39 E HA -0.161 4.238 4.350 0.082 0.000 0.193 39 E C 2.196 178.678 176.600 -0.198 0.000 0.988 39 E CA 1.153 57.475 56.400 -0.129 0.000 0.804 39 E CB -0.366 29.292 29.700 -0.070 0.000 0.745 39 E HN 0.530 nan 8.360 nan 0.000 0.458 40 L N 1.198 122.251 121.223 -0.283 0.000 2.056 40 L HA -0.155 4.234 4.340 0.082 0.000 0.207 40 L C 2.632 179.379 176.870 -0.205 0.000 1.078 40 L CA 1.451 56.115 54.840 -0.294 0.000 0.749 40 L CB -0.579 41.206 42.059 -0.457 0.000 0.901 40 L HN 0.135 nan 8.230 nan 0.000 0.433 41 S N -0.274 115.321 115.700 -0.175 0.000 2.399 41 S HA -0.188 4.331 4.470 0.082 0.000 0.231 41 S C 2.075 176.498 174.600 -0.294 0.000 1.022 41 S CA 0.731 58.858 58.200 -0.122 0.000 0.983 41 S CB -0.344 62.876 63.200 0.033 0.000 0.803 41 S HN 0.347 nan 8.310 nan 0.000 0.480 42 R N 0.471 120.689 120.500 -0.470 0.000 2.075 42 R HA 0.034 4.423 4.340 0.082 0.000 0.232 42 R C 2.337 178.453 176.300 -0.306 0.000 1.126 42 R CA 1.417 57.136 56.100 -0.635 0.000 0.963 42 R CB -0.731 29.266 30.300 -0.505 0.000 0.858 42 R HN 0.358 nan 8.270 nan 0.000 0.435 43 V N 1.419 121.213 119.914 -0.200 0.000 2.295 43 V HA -0.243 3.926 4.120 0.082 0.000 0.246 43 V C 2.194 178.244 176.094 -0.074 0.000 1.049 43 V CA 1.644 63.876 62.300 -0.114 0.000 1.024 43 V CB -0.433 31.334 31.823 -0.094 0.000 0.648 43 V HN 0.273 nan 8.190 nan 0.000 0.447 44 L N 0.866 122.046 121.223 -0.071 0.000 2.141 44 L HA -0.014 4.375 4.340 0.082 0.000 0.209 44 L C 2.248 179.134 176.870 0.026 0.000 1.094 44 L CA 2.269 57.105 54.840 -0.005 0.000 0.763 44 L CB -0.716 41.345 42.059 0.004 0.000 0.908 44 L HN 0.206 nan 8.230 nan 0.000 0.437 45 A N -0.924 121.892 122.820 -0.007 0.000 2.167 45 A HA -0.022 4.347 4.320 0.082 0.000 0.214 45 A C 1.071 178.683 177.584 0.046 0.000 1.151 45 A CA 0.333 52.404 52.037 0.056 0.000 0.735 45 A CB -0.769 18.299 19.000 0.114 0.000 0.802 45 A HN 0.507 nan 8.150 nan 0.000 0.467 46 N N 0.501 119.204 118.700 0.004 0.000 2.437 46 N HA 0.252 5.041 4.740 0.082 0.000 0.243 46 N C -2.381 173.143 175.510 0.024 0.000 1.041 46 N CA -2.188 50.869 53.050 0.011 0.000 0.940 46 N CB 1.233 39.710 38.487 -0.016 0.000 1.133 46 N HN -0.053 nan 8.380 nan 0.000 0.506 47 P HA 0.041 nan 4.420 nan 0.000 0.231 47 P C 1.039 178.353 177.300 0.022 0.000 1.158 47 P CA 0.528 63.643 63.100 0.024 0.000 0.763 47 P CB 0.182 31.887 31.700 0.009 0.000 0.805 48 G N -1.272 107.538 108.800 0.018 0.000 2.534 48 G HA2 -0.098 3.911 3.960 0.082 0.000 0.217 48 G HA3 -0.098 3.911 3.960 0.082 0.000 0.217 48 G C 0.787 175.695 174.900 0.013 0.000 1.128 48 G CA 0.055 45.163 45.100 0.014 0.000 0.784 48 G HN 0.269 nan 8.290 nan 0.000 0.542 49 N N 0.827 119.536 118.700 0.014 0.000 2.483 49 N HA 0.243 5.032 4.740 0.082 0.000 0.269 49 N C 0.639 176.161 175.510 0.019 0.000 1.209 49 N CA -0.049 53.007 53.050 0.010 0.000 0.969 49 N CB 1.318 39.805 38.487 0.001 0.000 1.173 49 N HN 0.238 nan 8.380 nan 0.000 0.475 50 S N -0.235 115.469 115.700 0.008 0.000 2.584 50 S HA -0.034 4.485 4.470 0.082 0.000 0.270 50 S C 1.162 175.765 174.600 0.005 0.000 1.346 50 S CA -0.325 57.880 58.200 0.008 0.000 1.018 50 S CB 0.984 64.181 63.200 -0.005 0.000 0.899 50 S HN 0.650 nan 8.310 nan 0.000 0.542 51 Q N 0.631 120.436 119.800 0.008 0.000 2.135 51 Q HA -0.113 4.276 4.340 0.082 0.000 0.204 51 Q C 1.838 177.737 176.000 -0.168 0.000 0.981 51 Q CA 1.844 57.625 55.803 -0.037 0.000 0.856 51 Q CB -0.354 28.388 28.738 0.006 0.000 0.902 51 Q HN 0.725 nan 8.270 nan 0.000 0.425 52 V N 0.634 120.486 119.914 -0.103 0.000 2.295 52 V HA -0.275 3.894 4.120 0.082 0.000 0.246 52 V C 2.307 178.343 176.094 -0.096 0.000 1.049 52 V CA 1.818 64.055 62.300 -0.106 0.000 1.024 52 V CB -1.001 30.786 31.823 -0.059 0.000 0.648 52 V HN 0.534 nan 8.190 nan 0.000 0.447 53 A N -0.081 122.701 122.820 -0.063 0.000 1.902 53 A HA -0.216 4.153 4.320 0.082 0.000 0.217 53 A C 2.362 179.910 177.584 -0.061 0.000 1.181 53 A CA 1.786 53.795 52.037 -0.047 0.000 0.623 53 A CB -0.463 18.520 19.000 -0.028 0.000 0.818 53 A HN 0.524 nan 8.150 nan 0.000 0.443 54 R N -0.766 119.695 120.500 -0.064 0.000 2.073 54 R HA -0.071 4.318 4.340 0.082 0.000 0.234 54 R C 2.066 178.307 176.300 -0.098 0.000 1.134 54 R CA 1.463 57.538 56.100 -0.042 0.000 0.952 54 R CB -0.682 29.650 30.300 0.053 0.000 0.850 54 R HN 0.370 nan 8.270 nan 0.000 0.433 55 V N 1.228 120.990 119.914 -0.254 0.000 2.295 55 V HA -0.251 3.918 4.120 0.082 0.000 0.246 55 V C 2.476 178.489 176.094 -0.134 0.000 1.049 55 V CA 2.022 64.154 62.300 -0.279 0.000 1.024 55 V CB -0.720 30.849 31.823 -0.423 0.000 0.648 55 V HN 0.432 nan 8.190 nan 0.000 0.447 56 A N -0.170 122.584 122.820 -0.109 0.000 1.933 56 A HA -0.123 4.246 4.320 0.082 0.000 0.218 56 A C 2.413 179.963 177.584 -0.056 0.000 1.175 56 A CA 2.093 54.093 52.037 -0.062 0.000 0.628 56 A CB -0.733 18.242 19.000 -0.040 0.000 0.814 56 A HN 0.577 nan 8.150 nan 0.000 0.444 57 A N -0.432 122.347 122.820 -0.068 0.000 1.877 57 A HA 0.119 4.488 4.320 0.082 0.000 0.216 57 A C 2.439 179.971 177.584 -0.087 0.000 1.186 57 A CA 1.931 53.914 52.037 -0.089 0.000 0.620 57 A CB -1.435 17.513 19.000 -0.088 0.000 0.822 57 A HN 0.747 nan 8.150 nan 0.000 0.443 58 G N -0.498 108.268 108.800 -0.056 0.000 2.422 58 G HA2 -0.144 3.865 3.960 0.082 0.000 0.218 58 G HA3 -0.144 3.865 3.960 0.082 0.000 0.218 58 G C 1.479 176.351 174.900 -0.048 0.000 1.146 58 G CA 1.202 46.281 45.100 -0.036 0.000 0.769 58 G HN 0.390 nan 8.290 nan 0.000 0.547 59 L N 0.106 121.302 121.223 -0.045 0.000 2.056 59 L HA -0.016 4.373 4.340 0.082 0.000 0.207 59 L C 2.982 179.837 176.870 -0.026 0.000 1.078 59 L CA 1.457 56.277 54.840 -0.034 0.000 0.749 59 L CB -0.343 41.700 42.059 -0.026 0.000 0.901 59 L HN 0.134 nan 8.230 nan 0.000 0.433 60 Q N -0.524 119.258 119.800 -0.030 0.000 2.084 60 Q HA -0.179 4.210 4.340 0.082 0.000 0.202 60 Q C 2.371 178.348 176.000 -0.039 0.000 0.978 60 Q CA 1.936 57.736 55.803 -0.005 0.000 0.844 60 Q CB -0.357 28.363 28.738 -0.029 0.000 0.898 60 Q HN 0.548 nan 8.270 nan 0.000 0.426 61 I N 0.763 121.272 120.570 -0.102 0.000 2.142 61 I HA -0.293 3.926 4.170 0.082 0.000 0.240 61 I C 2.637 178.694 176.117 -0.099 0.000 1.078 61 I CA 1.210 62.441 61.300 -0.115 0.000 1.343 61 I CB -0.332 37.594 38.000 -0.124 0.000 1.046 61 I HN 0.193 nan 8.210 nan 0.000 0.405 62 K N 1.007 121.358 120.400 -0.082 0.000 2.020 62 K HA -0.240 4.129 4.320 0.082 0.000 0.212 62 K C 1.803 178.382 176.600 -0.036 0.000 1.050 62 K CA 2.021 58.263 56.287 -0.075 0.000 0.929 62 K CB -0.131 32.328 32.500 -0.069 0.000 0.714 62 K HN 0.261 nan 8.250 nan 0.000 0.443 63 N N 0.338 119.032 118.700 -0.009 0.000 2.443 63 N HA -0.069 4.720 4.740 0.082 0.000 0.184 63 N C 1.335 176.836 175.510 -0.016 0.000 1.037 63 N CA 0.871 53.946 53.050 0.042 0.000 0.896 63 N CB 0.013 38.530 38.487 0.050 0.000 0.959 63 N HN 0.131 nan 8.380 nan 0.000 0.442 64 S N -0.033 115.609 115.700 -0.097 0.000 2.501 64 S HA 0.209 4.728 4.470 0.082 0.000 0.220 64 S C 1.771 176.211 174.600 -0.268 0.000 0.997 64 S CA 0.212 58.258 58.200 -0.257 0.000 0.919 64 S CB 0.357 63.512 63.200 -0.076 0.000 0.778 64 S HN 0.266 nan 8.310 nan 0.000 0.523 65 L N -0.242 120.926 121.223 -0.091 0.000 2.537 65 L HA 0.287 4.676 4.340 0.082 0.000 0.224 65 L C 1.084 178.035 176.870 0.136 0.000 1.065 65 L CA 0.367 55.181 54.840 -0.044 0.000 0.860 65 L CB 0.290 42.209 42.059 -0.232 0.000 1.086 65 L HN 0.147 nan 8.230 nan 0.000 0.482 66 T N -1.777 112.896 114.554 0.199 0.000 2.812 66 T HA 0.582 4.982 4.350 0.082 0.000 0.294 66 T C -1.400 173.394 174.700 0.158 0.000 1.159 66 T CA -0.362 61.827 62.100 0.149 0.000 1.008 66 T CB 2.132 71.019 68.868 0.031 0.000 1.289 66 T HN -0.008 nan 8.240 nan 0.000 0.514 67 S N -0.352 115.358 115.700 0.016 0.000 2.565 67 S HA 0.424 4.943 4.470 0.082 0.000 0.269 67 S C -0.092 174.483 174.600 -0.041 0.000 1.153 67 S CA -0.619 57.563 58.200 -0.029 0.000 0.835 67 S CB 1.564 64.653 63.200 -0.186 0.000 1.122 67 S HN 0.737 nan 8.310 nan 0.000 0.462 68 K N 0.735 121.118 120.400 -0.028 0.000 2.432 68 K HA 0.053 4.422 4.320 0.082 0.000 0.196 68 K C 0.043 176.617 176.600 -0.044 0.000 1.038 68 K CA 0.383 56.656 56.287 -0.023 0.000 0.986 68 K CB 0.010 32.507 32.500 -0.006 0.000 0.782 68 K HN 0.511 nan 8.250 nan 0.000 0.485 69 D N 1.129 121.486 120.400 -0.071 0.000 2.347 69 D HA 0.079 4.768 4.640 0.082 0.000 0.235 69 D C -2.102 174.126 176.300 -0.120 0.000 1.149 69 D CA -2.355 51.587 54.000 -0.096 0.000 0.850 69 D CB 1.733 42.470 40.800 -0.104 0.000 1.061 69 D HN -0.198 nan 8.370 nan 0.000 0.487 70 P HA -0.146 nan 4.420 nan 0.000 0.216 70 P C 0.714 177.951 177.300 -0.105 0.000 1.154 70 P CA 1.042 64.086 63.100 -0.093 0.000 0.865 70 P CB 0.391 32.038 31.700 -0.089 0.000 0.789 71 D N -0.905 119.417 120.400 -0.130 0.000 2.117 71 D HA -0.077 4.613 4.640 0.082 0.000 0.198 71 D C 2.029 178.236 176.300 -0.155 0.000 0.982 71 D CA 1.013 54.941 54.000 -0.120 0.000 0.828 71 D CB -0.509 40.216 40.800 -0.125 0.000 0.967 71 D HN 0.223 nan 8.370 nan 0.000 0.464 72 I N 1.013 121.449 120.570 -0.224 0.000 2.394 72 I HA -0.220 4.000 4.170 0.082 0.000 0.251 72 I C 2.516 178.313 176.117 -0.533 0.000 1.136 72 I CA 0.808 61.866 61.300 -0.403 0.000 1.425 72 I CB -0.175 37.547 38.000 -0.463 0.000 1.079 72 I HN -0.049 nan 8.210 nan 0.000 0.425 73 K N 1.628 121.840 120.400 -0.315 0.000 2.009 73 K HA -0.216 4.153 4.320 0.082 0.000 0.210 73 K C 2.262 178.824 176.600 -0.064 0.000 1.049 73 K CA 1.738 57.919 56.287 -0.177 0.000 0.929 73 K CB -0.158 32.293 32.500 -0.082 0.000 0.714 73 K HN 0.265 nan 8.250 nan 0.000 0.440 74 A N 1.137 123.928 122.820 -0.049 0.000 1.940 74 A HA -0.237 4.133 4.320 0.082 0.000 0.219 74 A C 2.025 179.633 177.584 0.040 0.000 1.176 74 A CA 1.702 53.744 52.037 0.009 0.000 0.631 74 A CB -0.550 18.451 19.000 0.002 0.000 0.814 74 A HN 0.528 nan 8.150 nan 0.000 0.446 75 Q N -1.690 118.113 119.800 0.005 0.000 2.079 75 Q HA -0.164 4.225 4.340 0.082 0.000 0.200 75 Q C 1.969 178.100 176.000 0.219 0.000 0.974 75 Q CA 1.447 57.293 55.803 0.072 0.000 0.840 75 Q CB -0.308 28.446 28.738 0.027 0.000 0.898 75 Q HN 0.777 nan 8.270 nan 0.000 0.430 76 Y N 1.557 121.884 120.300 0.045 0.000 2.181 76 Y HA -0.195 4.404 4.550 0.082 0.000 0.288 76 Y C 2.261 178.225 175.900 0.106 0.000 1.146 76 Y CA 1.089 59.227 58.100 0.064 0.000 1.164 76 Y CB -0.604 37.878 38.460 0.037 0.000 0.982 76 Y HN 0.215 nan 8.280 nan 0.000 0.515 77 Q N -0.604 119.353 119.800 0.262 0.000 2.084 77 Q HA -0.208 4.181 4.340 0.082 0.000 0.202 77 Q C 2.154 178.296 176.000 0.237 0.000 0.978 77 Q CA 1.295 57.233 55.803 0.224 0.000 0.844 77 Q CB -0.176 28.650 28.738 0.147 0.000 0.898 77 Q HN 0.373 nan 8.270 nan 0.000 0.426 78 Q N 0.530 120.434 119.800 0.172 0.000 2.124 78 Q HA -0.144 4.245 4.340 0.082 0.000 0.202 78 Q C 1.973 178.048 176.000 0.125 0.000 0.977 78 Q CA 1.317 57.197 55.803 0.127 0.000 0.850 78 Q CB -0.291 28.502 28.738 0.091 0.000 0.901 78 Q HN 0.340 nan 8.270 nan 0.000 0.429 79 R N -0.162 120.432 120.500 0.157 0.000 2.092 79 R HA -0.133 4.256 4.340 0.082 0.000 0.231 79 R C 2.076 178.457 176.300 0.134 0.000 1.119 79 R CA 1.208 57.382 56.100 0.124 0.000 0.970 79 R CB -0.362 30.017 30.300 0.132 0.000 0.864 79 R HN 0.432 nan 8.270 nan 0.000 0.440 80 W N 1.199 122.507 121.300 0.014 0.000 2.409 80 W HA -0.133 4.576 4.660 0.083 0.000 0.299 80 W C 1.153 177.662 176.519 -0.017 0.000 1.203 80 W CA 0.744 58.083 57.345 -0.011 0.000 1.298 80 W CB -0.251 29.203 29.460 -0.009 0.000 1.127 80 W HN 0.125 nan 8.180 nan 0.000 0.528 81 L N 1.523 122.771 121.223 0.041 0.000 2.362 81 L HA -0.117 4.272 4.340 0.082 0.000 0.219 81 L C 2.583 179.370 176.870 -0.138 0.000 1.134 81 L CA 1.114 55.908 54.840 -0.077 0.000 0.807 81 L CB -0.850 41.251 42.059 0.068 0.000 0.927 81 L HN -0.017 nan 8.230 nan 0.000 0.447 82 A N -0.529 122.230 122.820 -0.102 0.000 2.251 82 A HA 0.197 4.566 4.320 0.082 0.000 0.209 82 A C 1.062 178.556 177.584 -0.149 0.000 1.187 82 A CA -0.114 51.867 52.037 -0.094 0.000 0.823 82 A CB -0.203 18.774 19.000 -0.039 0.000 0.846 82 A HN 0.221 nan 8.150 nan 0.000 0.486 83 I N 0.911 121.326 120.570 -0.257 0.000 2.519 83 I HA 0.047 4.266 4.170 0.082 0.000 0.287 83 I C 0.127 176.063 176.117 -0.302 0.000 1.047 83 I CA -0.618 60.506 61.300 -0.293 0.000 1.381 83 I CB 0.757 38.499 38.000 -0.430 0.000 1.417 83 I HN 0.190 nan 8.210 nan 0.000 0.540 84 D N 4.882 125.152 120.400 -0.216 0.000 2.662 84 D HA -0.068 4.621 4.640 0.082 0.000 0.233 84 D C 1.055 177.218 176.300 -0.228 0.000 1.129 84 D CA 0.477 54.370 54.000 -0.178 0.000 0.851 84 D CB 1.118 41.840 40.800 -0.129 0.000 1.152 84 D HN 0.619 nan 8.370 nan 0.000 0.507 85 A N 5.080 127.781 122.820 -0.199 0.000 1.997 85 A HA -0.293 4.076 4.320 0.082 0.000 0.221 85 A C 1.988 179.465 177.584 -0.178 0.000 1.172 85 A CA 1.539 53.455 52.037 -0.202 0.000 0.645 85 A CB -0.410 18.508 19.000 -0.136 0.000 0.813 85 A HN 0.760 nan 8.150 nan 0.000 0.454 86 N N 0.271 118.888 118.700 -0.137 0.000 2.188 86 N HA -0.089 4.700 4.740 0.082 0.000 0.184 86 N C 1.939 177.377 175.510 -0.120 0.000 1.018 86 N CA 1.451 54.435 53.050 -0.110 0.000 0.858 86 N CB -0.501 37.938 38.487 -0.080 0.000 0.989 86 N HN 0.505 nan 8.380 nan 0.000 0.426 87 A N 1.880 124.614 122.820 -0.142 0.000 1.873 87 A HA -0.072 4.297 4.320 0.082 0.000 0.215 87 A C 2.285 179.768 177.584 -0.168 0.000 1.186 87 A CA 0.970 52.929 52.037 -0.130 0.000 0.616 87 A CB -0.394 18.521 19.000 -0.141 0.000 0.823 87 A HN 0.193 nan 8.150 nan 0.000 0.442 88 R N -1.011 119.295 120.500 -0.323 0.000 2.096 88 R HA -0.102 4.288 4.340 0.082 0.000 0.235 88 R C 2.506 178.701 176.300 -0.176 0.000 1.127 88 R CA 1.453 57.302 56.100 -0.418 0.000 0.968 88 R CB -0.294 29.538 30.300 -0.780 0.000 0.861 88 R HN 0.559 nan 8.270 nan 0.000 0.440 89 R N 1.124 121.513 120.500 -0.185 0.000 2.081 89 R HA -0.183 4.206 4.340 0.082 0.000 0.235 89 R C 2.073 178.295 176.300 -0.130 0.000 1.131 89 R CA 1.765 57.773 56.100 -0.155 0.000 0.960 89 R CB -0.059 30.168 30.300 -0.121 0.000 0.856 89 R HN 0.252 nan 8.270 nan 0.000 0.436 90 E N -0.358 119.777 120.200 -0.108 0.000 2.106 90 E HA -0.141 4.258 4.350 0.082 0.000 0.192 90 E C 1.812 178.397 176.600 -0.025 0.000 0.984 90 E CA 1.214 57.541 56.400 -0.121 0.000 0.806 90 E CB 0.182 29.861 29.700 -0.035 0.000 0.750 90 E HN 0.199 nan 8.360 nan 0.000 0.458 91 V N 1.280 121.244 119.914 0.082 0.000 2.358 91 V HA -0.242 3.927 4.120 0.082 0.000 0.246 91 V C 2.241 178.400 176.094 0.109 0.000 1.047 91 V CA 1.880 64.290 62.300 0.183 0.000 1.035 91 V CB -0.364 31.627 31.823 0.281 0.000 0.658 91 V HN 0.231 nan 8.190 nan 0.000 0.452 92 K N 0.150 120.545 120.400 -0.008 0.000 2.032 92 K HA -0.185 4.184 4.320 0.082 0.000 0.209 92 K C 2.046 178.712 176.600 0.111 0.000 1.048 92 K CA 1.706 57.937 56.287 -0.095 0.000 0.927 92 K CB -0.320 31.874 32.500 -0.510 0.000 0.712 92 K HN 0.437 nan 8.250 nan 0.000 0.441 93 N N 0.188 118.868 118.700 -0.034 0.000 2.120 93 N HA -0.153 4.636 4.740 0.082 0.000 0.188 93 N C 1.792 177.196 175.510 -0.177 0.000 1.024 93 N CA 1.334 54.292 53.050 -0.153 0.000 0.852 93 N CB -0.371 37.886 38.487 -0.384 0.000 1.003 93 N HN 0.219 nan 8.380 nan 0.000 0.424 94 Y N 1.156 121.438 120.300 -0.030 0.000 2.200 94 Y HA -0.053 4.546 4.550 0.082 0.000 0.290 94 Y C 2.503 178.455 175.900 0.088 0.000 1.137 94 Y CA 0.383 58.488 58.100 0.009 0.000 1.163 94 Y CB -0.766 37.694 38.460 0.001 0.000 0.988 94 Y HN -0.188 nan 8.280 nan 0.000 0.518 95 V N -0.589 119.483 119.914 0.262 0.000 2.261 95 V HA -0.278 3.891 4.120 0.082 0.000 0.246 95 V C 2.323 178.562 176.094 0.241 0.000 1.047 95 V CA 1.526 63.957 62.300 0.217 0.000 1.015 95 V CB -0.929 31.009 31.823 0.193 0.000 0.642 95 V HN 0.259 nan 8.190 nan 0.000 0.446 96 L N -0.431 120.969 121.223 0.296 0.000 2.042 96 L HA -0.207 4.182 4.340 0.082 0.000 0.210 96 L C 2.412 179.450 176.870 0.280 0.000 1.076 96 L CA 2.034 57.043 54.840 0.282 0.000 0.749 96 L CB -0.935 41.327 42.059 0.338 0.000 0.893 96 L HN 0.390 nan 8.230 nan 0.000 0.432 97 H N -1.561 117.580 119.070 0.119 0.000 2.521 97 H HA -0.052 4.554 4.556 0.082 0.000 0.286 97 H C 2.018 177.397 175.328 0.085 0.000 1.034 97 H CA 1.477 57.581 56.048 0.093 0.000 1.278 97 H CB -0.376 29.447 29.762 0.102 0.000 1.386 97 H HN 0.311 nan 8.280 nan 0.000 0.567 98 T N 0.467 115.146 114.554 0.207 0.000 2.995 98 T HA 0.022 4.421 4.350 0.082 0.000 0.269 98 T C 0.886 175.621 174.700 0.057 0.000 1.091 98 T CA 0.024 62.197 62.100 0.122 0.000 1.128 98 T CB -0.140 68.802 68.868 0.123 0.000 0.891 98 T HN 0.160 nan 8.240 nan 0.000 0.492 99 L N 1.700 122.963 121.223 0.066 0.000 2.628 99 L HA 0.222 4.612 4.340 0.082 0.000 0.274 99 L C 1.620 178.488 176.870 -0.003 0.000 1.209 99 L CA 0.610 55.469 54.840 0.031 0.000 0.930 99 L CB -0.105 41.978 42.059 0.040 0.000 1.183 99 L HN 0.487 nan 8.230 nan 0.000 0.492 100 G N 1.834 110.620 108.800 -0.023 0.000 2.195 100 G HA2 -0.324 3.685 3.960 0.082 0.000 0.246 100 G HA3 -0.324 3.685 3.960 0.082 0.000 0.246 100 G C 0.737 175.578 174.900 -0.098 0.000 0.984 100 G CA 0.535 45.617 45.100 -0.030 0.000 0.633 100 G HN 0.707 nan 8.290 nan 0.000 0.525 101 T N -1.752 112.736 114.554 -0.110 0.000 3.054 101 T HA 0.443 4.843 4.350 0.082 0.000 0.255 101 T C 0.531 175.110 174.700 -0.201 0.000 1.035 101 T CA 0.648 62.674 62.100 -0.122 0.000 0.941 101 T CB 0.494 69.337 68.868 -0.041 0.000 1.026 101 T HN 0.465 nan 8.240 nan 0.000 0.533 102 E N 2.173 122.184 120.200 -0.316 0.000 2.313 102 E HA 0.296 4.695 4.350 0.082 0.000 0.276 102 E C 1.140 177.337 176.600 -0.673 0.000 1.031 102 E CA -0.057 56.014 56.400 -0.548 0.000 0.857 102 E CB 1.502 30.726 29.700 -0.794 0.000 1.040 102 E HN 0.429 nan 8.360 nan 0.000 0.408 103 T N 0.577 114.825 114.554 -0.511 0.000 2.623 103 T HA -0.171 4.228 4.350 0.082 0.000 0.254 103 T C 0.807 175.355 174.700 -0.254 0.000 1.075 103 T CA 0.395 62.327 62.100 -0.279 0.000 1.177 103 T CB -0.770 68.098 68.868 0.001 0.000 0.869 103 T HN 0.517 nan 8.240 nan 0.000 0.403 104 Y N 2.624 122.919 120.300 -0.008 0.000 2.996 104 Y HA 0.150 4.749 4.550 0.082 0.000 0.347 104 Y C 1.560 177.498 175.900 0.063 0.000 1.276 104 Y CA -1.274 56.843 58.100 0.029 0.000 1.601 104 Y CB -0.263 38.210 38.460 0.021 0.000 1.193 104 Y HN 0.128 nan 8.280 nan 0.000 0.582 105 R N 3.023 123.610 120.500 0.146 0.000 2.122 105 R HA -0.118 4.272 4.340 0.082 0.000 0.236 105 R C -1.233 175.137 176.300 0.117 0.000 1.129 105 R CA 1.433 57.607 56.100 0.123 0.000 0.925 105 R CB -1.815 28.548 30.300 0.105 0.000 0.850 105 R HN 0.588 nan 8.270 nan 0.000 0.431 106 P HA 0.020 nan 4.420 nan 0.000 0.276 106 P C -0.705 176.735 177.300 0.232 0.000 1.264 106 P CA 0.318 63.525 63.100 0.177 0.000 0.769 106 P CB 1.428 33.234 31.700 0.176 0.000 0.840 107 S N 2.776 118.578 115.700 0.170 0.000 2.531 107 S HA 0.112 4.631 4.470 0.082 0.000 0.279 107 S C 1.350 176.091 174.600 0.235 0.000 1.305 107 S CA -0.282 58.009 58.200 0.151 0.000 1.058 107 S CB 0.062 63.319 63.200 0.094 0.000 0.899 107 S HN 0.388 nan 8.310 nan 0.000 0.493 108 S N 4.371 120.255 115.700 0.307 0.000 2.406 108 S HA 0.058 4.577 4.470 0.082 0.000 0.224 108 S C 2.247 176.923 174.600 0.126 0.000 1.030 108 S CA 0.704 59.029 58.200 0.210 0.000 0.958 108 S CB -0.529 62.811 63.200 0.233 0.000 0.811 108 S HN 0.898 nan 8.310 nan 0.000 0.489 109 A N 1.692 124.595 122.820 0.137 0.000 1.933 109 A HA -0.087 4.282 4.320 0.082 0.000 0.218 109 A C 2.258 179.910 177.584 0.112 0.000 1.175 109 A CA 1.843 53.946 52.037 0.111 0.000 0.628 109 A CB -0.891 18.174 19.000 0.110 0.000 0.814 109 A HN 0.430 nan 8.150 nan 0.000 0.444 110 S N -0.211 115.572 115.700 0.139 0.000 2.370 110 S HA -0.247 4.273 4.470 0.082 0.000 0.226 110 S C 2.076 176.770 174.600 0.157 0.000 1.033 110 S CA 1.769 60.086 58.200 0.195 0.000 1.011 110 S CB -0.339 63.041 63.200 0.300 0.000 0.852 110 S HN 0.746 nan 8.310 nan 0.000 0.457 111 Q N -0.248 119.554 119.800 0.004 0.000 2.123 111 Q HA -0.042 4.347 4.340 0.082 0.000 0.199 111 Q C 2.420 178.350 176.000 -0.117 0.000 0.966 111 Q CA 1.302 56.959 55.803 -0.244 0.000 0.845 111 Q CB -0.347 28.204 28.738 -0.311 0.000 0.907 111 Q HN 0.549 nan 8.270 nan 0.000 0.439 112 C N -0.271 119.005 119.300 -0.040 0.000 2.440 112 C HA -0.055 4.454 4.460 0.082 0.000 0.278 112 C C 2.636 177.633 174.990 0.012 0.000 1.295 112 C CA 0.175 59.168 59.018 -0.041 0.000 1.738 112 C CB -0.715 27.014 27.740 -0.019 0.000 1.987 112 C HN 0.322 nan 8.230 nan 0.000 0.492 113 V N 1.548 121.525 119.914 0.105 0.000 2.295 113 V HA -0.237 3.932 4.120 0.082 0.000 0.246 113 V C 2.748 178.952 176.094 0.185 0.000 1.049 113 V CA 2.361 64.797 62.300 0.227 0.000 1.024 113 V CB -1.241 30.678 31.823 0.162 0.000 0.648 113 V HN 0.595 nan 8.190 nan 0.000 0.447 114 A N 0.344 123.220 122.820 0.094 0.000 1.902 114 A HA -0.091 4.278 4.320 0.082 0.000 0.217 114 A C 2.430 180.029 177.584 0.025 0.000 1.181 114 A CA 1.953 54.034 52.037 0.074 0.000 0.623 114 A CB -1.291 17.755 19.000 0.076 0.000 0.818 114 A HN 0.536 nan 8.150 nan 0.000 0.443 115 G N 0.027 108.801 108.800 -0.044 0.000 2.440 115 G HA2 -0.211 3.798 3.960 0.082 0.000 0.218 115 G HA3 -0.211 3.798 3.960 0.082 0.000 0.218 115 G C 1.530 176.337 174.900 -0.155 0.000 1.154 115 G CA 1.204 46.246 45.100 -0.096 0.000 0.767 115 G HN 0.488 nan 8.290 nan 0.000 0.552 116 I N 1.247 121.702 120.570 -0.192 0.000 2.202 116 I HA -0.114 4.105 4.170 0.082 0.000 0.242 116 I C 3.314 179.455 176.117 0.041 0.000 1.091 116 I CA 0.872 61.979 61.300 -0.323 0.000 1.368 116 I CB -0.305 37.455 38.000 -0.401 0.000 1.058 116 I HN 0.236 nan 8.210 nan 0.000 0.410 117 A N 0.040 123.022 122.820 0.270 0.000 1.948 117 A HA -0.271 4.098 4.320 0.082 0.000 0.220 117 A C 2.420 180.097 177.584 0.155 0.000 1.177 117 A CA 2.010 54.226 52.037 0.299 0.000 0.636 117 A CB -1.318 17.790 19.000 0.181 0.000 0.815 117 A HN 0.569 nan 8.150 nan 0.000 0.449 118 C N -1.367 117.985 119.300 0.086 0.000 2.422 118 C HA 0.102 4.612 4.460 0.082 0.000 0.279 118 C C 3.221 178.256 174.990 0.075 0.000 1.305 118 C CA 0.799 59.855 59.018 0.064 0.000 1.757 118 C CB -1.256 26.506 27.740 0.037 0.000 1.962 118 C HN 0.711 nan 8.230 nan 0.000 0.499 119 A N 0.089 122.952 122.820 0.072 0.000 1.935 119 A HA -0.049 4.320 4.320 0.082 0.000 0.214 119 A C 2.039 179.735 177.584 0.186 0.000 1.178 119 A CA 0.987 53.101 52.037 0.128 0.000 0.640 119 A CB -0.306 18.780 19.000 0.142 0.000 0.825 119 A HN 0.665 nan 8.150 nan 0.000 0.447 120 E N -0.307 120.022 120.200 0.216 0.000 2.166 120 E HA 0.065 4.464 4.350 0.082 0.000 0.192 120 E C 1.821 178.540 176.600 0.198 0.000 0.967 120 E CA 0.402 56.947 56.400 0.240 0.000 0.840 120 E CB -0.135 29.755 29.700 0.317 0.000 0.795 120 E HN 0.605 nan 8.360 nan 0.000 0.470 121 I N 2.457 123.135 120.570 0.181 0.000 2.208 121 I HA -0.190 4.029 4.170 0.082 0.000 0.245 121 I C -0.621 175.546 176.117 0.084 0.000 1.097 121 I CA 1.053 62.425 61.300 0.119 0.000 1.363 121 I CB -1.329 36.712 38.000 0.068 0.000 1.051 121 I HN 0.060 nan 8.210 nan 0.000 0.413 122 P HA -0.080 nan 4.420 nan 0.000 0.236 122 P C 0.945 178.285 177.300 0.067 0.000 1.172 122 P CA 1.242 64.380 63.100 0.064 0.000 0.759 122 P CB -0.166 31.572 31.700 0.063 0.000 0.843 123 V N -6.018 113.945 119.914 0.081 0.000 3.252 123 V HA 0.360 4.529 4.120 0.082 0.000 0.320 123 V C 0.375 176.513 176.094 0.073 0.000 1.459 123 V CA -0.508 61.834 62.300 0.071 0.000 1.095 123 V CB -1.087 30.780 31.823 0.073 0.000 0.997 123 V HN -0.029 nan 8.190 nan 0.000 0.469 124 N N 2.004 120.754 118.700 0.083 0.000 2.740 124 N HA -0.228 4.561 4.740 0.082 0.000 0.248 124 N C 0.781 176.355 175.510 0.107 0.000 1.062 124 N CA 1.310 54.412 53.050 0.086 0.000 0.704 124 N CB -0.704 37.818 38.487 0.059 0.000 0.968 124 N HN 0.782 nan 8.380 nan 0.000 0.547 125 Q N -1.681 118.205 119.800 0.144 0.000 2.282 125 Q HA 0.040 4.429 4.340 0.082 0.000 0.206 125 Q C 0.256 176.397 176.000 0.235 0.000 0.878 125 Q CA 0.165 56.054 55.803 0.143 0.000 0.944 125 Q CB 0.450 29.251 28.738 0.104 0.000 1.100 125 Q HN 0.387 nan 8.270 nan 0.000 0.509 126 W N 2.352 123.687 121.300 0.058 0.000 1.506 126 W HA 0.309 5.019 4.660 0.082 0.000 0.296 126 W C -2.319 174.222 176.519 0.036 0.000 0.847 126 W CA -2.508 54.872 57.345 0.057 0.000 2.203 126 W CB 0.795 30.300 29.460 0.076 0.000 2.219 126 W HN -0.031 nan 8.180 nan 0.000 0.464 127 P HA -0.211 nan 4.420 nan 0.000 0.221 127 P C 0.634 177.956 177.300 0.037 0.000 1.145 127 P CA 1.771 64.929 63.100 0.096 0.000 0.795 127 P CB 0.489 32.242 31.700 0.087 0.000 0.775 128 E N -0.535 119.718 120.200 0.089 0.000 2.274 128 E HA -0.069 4.330 4.350 0.082 0.000 0.194 128 E C 1.953 178.438 176.600 -0.191 0.000 0.996 128 E CA 0.182 56.592 56.400 0.017 0.000 0.840 128 E CB -0.857 28.936 29.700 0.156 0.000 0.772 128 E HN 0.138 nan 8.360 nan 0.000 0.491 129 L N 0.806 121.714 121.223 -0.524 0.000 1.943 129 L HA -0.211 4.178 4.340 0.082 0.000 0.215 129 L C 1.824 178.458 176.870 -0.393 0.000 1.074 129 L CA 1.715 56.082 54.840 -0.789 0.000 0.759 129 L CB -0.493 40.813 42.059 -1.255 0.000 0.888 129 L HN 0.100 nan 8.230 nan 0.000 0.433 130 I N 0.501 120.910 120.570 -0.269 0.000 2.151 130 I HA -0.203 4.016 4.170 0.082 0.000 0.243 130 I C -0.158 175.890 176.117 -0.115 0.000 1.080 130 I CA 1.813 63.015 61.300 -0.164 0.000 1.339 130 I CB -3.152 34.779 38.000 -0.116 0.000 1.039 130 I HN 0.305 nan 8.210 nan 0.000 0.409 131 P HA -0.195 nan 4.420 nan 0.000 0.215 131 P C 1.751 179.017 177.300 -0.057 0.000 1.153 131 P CA 1.554 64.619 63.100 -0.057 0.000 0.853 131 P CB -0.027 31.651 31.700 -0.037 0.000 0.788 132 Q N 0.269 120.023 119.800 -0.076 0.000 2.050 132 Q HA -0.113 4.276 4.340 0.082 0.000 0.202 132 Q C 2.295 178.256 176.000 -0.063 0.000 0.980 132 Q CA 1.546 57.314 55.803 -0.057 0.000 0.840 132 Q CB -1.286 27.418 28.738 -0.057 0.000 0.898 132 Q HN 0.171 nan 8.270 nan 0.000 0.424 133 L N -0.840 120.325 121.223 -0.097 0.000 2.017 133 L HA -0.171 4.218 4.340 0.082 0.000 0.208 133 L C 2.335 179.175 176.870 -0.050 0.000 1.073 133 L CA 1.058 55.852 54.840 -0.077 0.000 0.745 133 L CB -0.703 41.295 42.059 -0.101 0.000 0.894 133 L HN 0.114 nan 8.230 nan 0.000 0.432 134 V N 0.326 120.210 119.914 -0.049 0.000 2.287 134 V HA -0.333 3.837 4.120 0.082 0.000 0.248 134 V C 2.799 178.879 176.094 -0.023 0.000 1.053 134 V CA 1.951 64.233 62.300 -0.030 0.000 1.027 134 V CB -0.929 30.879 31.823 -0.025 0.000 0.646 134 V HN 0.502 nan 8.190 nan 0.000 0.447 135 A N 0.201 123.006 122.820 -0.026 0.000 1.902 135 A HA -0.245 4.124 4.320 0.082 0.000 0.217 135 A C 2.035 179.607 177.584 -0.020 0.000 1.181 135 A CA 2.125 54.150 52.037 -0.019 0.000 0.623 135 A CB -0.730 18.259 19.000 -0.018 0.000 0.818 135 A HN 0.588 nan 8.150 nan 0.000 0.443 136 N N -0.001 118.684 118.700 -0.024 0.000 2.149 136 N HA -0.121 4.669 4.740 0.082 0.000 0.188 136 N C 1.577 177.076 175.510 -0.019 0.000 1.019 136 N CA 1.656 54.692 53.050 -0.023 0.000 0.857 136 N CB -0.439 38.034 38.487 -0.023 0.000 0.997 136 N HN 0.298 nan 8.380 nan 0.000 0.426 137 V N 0.309 120.211 119.914 -0.020 0.000 2.379 137 V HA -0.105 4.065 4.120 0.082 0.000 0.243 137 V C 2.222 178.307 176.094 -0.015 0.000 1.035 137 V CA 1.966 64.255 62.300 -0.019 0.000 1.035 137 V CB -0.967 30.843 31.823 -0.021 0.000 0.673 137 V HN 0.487 nan 8.190 nan 0.000 0.457 138 T N -1.995 112.552 114.554 -0.011 0.000 3.118 138 T HA -0.051 4.349 4.350 0.082 0.000 0.260 138 T C 0.790 175.487 174.700 -0.006 0.000 1.139 138 T CA 0.331 62.428 62.100 -0.005 0.000 1.085 138 T CB -0.858 68.010 68.868 -0.000 0.000 0.934 138 T HN 0.474 nan 8.240 nan 0.000 0.518 139 N N 3.235 121.929 118.700 -0.009 0.000 2.416 139 N HA 0.118 4.907 4.740 0.082 0.000 0.265 139 N C -1.177 174.328 175.510 -0.009 0.000 1.195 139 N CA -1.641 51.403 53.050 -0.009 0.000 0.943 139 N CB 1.060 39.539 38.487 -0.012 0.000 1.115 139 N HN 0.058 nan 8.380 nan 0.000 0.481 140 P HA -0.171 nan 4.420 nan 0.000 0.221 140 P C -0.152 177.143 177.300 -0.008 0.000 1.145 140 P CA 1.444 64.539 63.100 -0.007 0.000 0.795 140 P CB 0.140 31.837 31.700 -0.005 0.000 0.775 141 N N -0.787 117.908 118.700 -0.008 0.000 2.446 141 N HA 0.008 4.797 4.740 0.082 0.000 0.179 141 N C 0.417 175.922 175.510 -0.009 0.000 1.054 141 N CA -0.147 52.898 53.050 -0.008 0.000 0.905 141 N CB -0.089 38.393 38.487 -0.008 0.000 0.973 141 N HN 0.021 nan 8.380 nan 0.000 0.448 142 S N 1.121 116.815 115.700 -0.010 0.000 2.558 142 S HA -0.008 4.511 4.470 0.082 0.000 0.288 142 S C 0.825 175.421 174.600 -0.007 0.000 1.318 142 S CA -0.184 58.010 58.200 -0.010 0.000 1.056 142 S CB 0.640 63.833 63.200 -0.012 0.000 0.853 142 S HN 0.319 nan 8.310 nan 0.000 0.505 143 T N -0.088 114.467 114.554 0.001 0.000 2.788 143 T HA 0.224 4.623 4.350 0.082 0.000 0.287 143 T C 1.195 175.896 174.700 0.003 0.000 1.007 143 T CA -0.572 61.532 62.100 0.008 0.000 1.005 143 T CB 0.667 69.553 68.868 0.031 0.000 1.012 143 T HN 0.728 nan 8.240 nan 0.000 0.530 144 E N -0.144 120.046 120.200 -0.016 0.000 2.051 144 E HA -0.277 4.122 4.350 0.082 0.000 0.192 144 E C 1.792 178.357 176.600 -0.059 0.000 0.991 144 E CA 1.185 57.550 56.400 -0.058 0.000 0.799 144 E CB -0.221 29.414 29.700 -0.109 0.000 0.748 144 E HN 0.764 nan 8.360 nan 0.000 0.449 145 H N 0.054 119.102 119.070 -0.036 0.000 2.352 145 H HA -0.158 4.447 4.556 0.082 0.000 0.299 145 H C 2.191 177.493 175.328 -0.044 0.000 1.097 145 H CA 1.905 57.926 56.048 -0.045 0.000 1.311 145 H CB -0.266 29.464 29.762 -0.054 0.000 1.377 145 H HN 0.311 nan 8.280 nan 0.000 0.504 146 M N 1.169 120.827 119.600 0.096 0.000 2.086 146 M HA -0.144 4.386 4.480 0.082 0.000 0.261 146 M C 2.032 178.341 176.300 0.015 0.000 1.067 146 M CA 1.780 57.102 55.300 0.037 0.000 1.116 146 M CB -0.031 32.578 32.600 0.014 0.000 1.348 146 M HN -0.032 nan 8.290 nan 0.000 0.407 147 K N -0.282 120.119 120.400 0.002 0.000 2.057 147 K HA -0.188 4.181 4.320 0.082 0.000 0.206 147 K C 2.170 178.758 176.600 -0.019 0.000 1.050 147 K CA 1.744 58.023 56.287 -0.014 0.000 0.935 147 K CB -0.408 32.078 32.500 -0.024 0.000 0.715 147 K HN 0.615 nan 8.250 nan 0.000 0.439 148 E N 0.906 121.094 120.200 -0.021 0.000 2.028 148 E HA -0.192 4.207 4.350 0.082 0.000 0.191 148 E C 2.149 178.745 176.600 -0.007 0.000 0.988 148 E CA 1.271 57.653 56.400 -0.029 0.000 0.799 148 E CB -0.024 29.646 29.700 -0.050 0.000 0.755 148 E HN 0.106 nan 8.360 nan 0.000 0.447 149 S N -0.627 115.088 115.700 0.026 0.000 2.370 149 S HA -0.164 4.355 4.470 0.082 0.000 0.226 149 S C 1.984 176.600 174.600 0.026 0.000 1.033 149 S CA 2.015 60.238 58.200 0.037 0.000 1.011 149 S CB -0.492 62.734 63.200 0.043 0.000 0.852 149 S HN 0.400 nan 8.310 nan 0.000 0.457 150 T N 2.457 117.018 114.554 0.011 0.000 2.777 150 T HA 0.070 4.469 4.350 0.082 0.000 0.266 150 T C 1.742 176.434 174.700 -0.013 0.000 1.040 150 T CA 1.337 63.438 62.100 0.001 0.000 1.141 150 T CB -0.358 68.504 68.868 -0.010 0.000 0.868 150 T HN 0.321 nan 8.240 nan 0.000 0.444 151 L N 0.651 121.859 121.223 -0.026 0.000 2.131 151 L HA -0.078 4.312 4.340 0.082 0.000 0.210 151 L C 2.700 179.526 176.870 -0.072 0.000 1.092 151 L CA 1.264 56.078 54.840 -0.044 0.000 0.759 151 L CB -0.502 41.526 42.059 -0.051 0.000 0.903 151 L HN 0.319 nan 8.230 nan 0.000 0.435 152 E N 0.051 120.206 120.200 -0.075 0.000 2.051 152 E HA -0.225 4.174 4.350 0.082 0.000 0.192 152 E C 2.344 178.875 176.600 -0.116 0.000 0.991 152 E CA 1.144 57.446 56.400 -0.163 0.000 0.799 152 E CB -0.148 29.507 29.700 -0.076 0.000 0.748 152 E HN 0.511 nan 8.360 nan 0.000 0.449 153 A N 1.270 124.121 122.820 0.051 0.000 1.877 153 A HA -0.198 4.171 4.320 0.082 0.000 0.216 153 A C 2.177 179.808 177.584 0.078 0.000 1.186 153 A CA 1.203 53.325 52.037 0.141 0.000 0.620 153 A CB -0.679 18.374 19.000 0.088 0.000 0.822 153 A HN 0.153 nan 8.150 nan 0.000 0.443 154 I N -0.285 120.293 120.570 0.012 0.000 2.163 154 I HA -0.254 3.965 4.170 0.082 0.000 0.243 154 I C 2.736 178.866 176.117 0.022 0.000 1.085 154 I CA 1.248 62.555 61.300 0.011 0.000 1.347 154 I CB -0.777 37.222 38.000 -0.001 0.000 1.044 154 I HN 0.415 nan 8.210 nan 0.000 0.408 155 G N 0.069 108.840 108.800 -0.049 0.000 2.446 155 G HA2 -0.280 3.729 3.960 0.082 0.000 0.217 155 G HA3 -0.280 3.729 3.960 0.082 0.000 0.217 155 G C 1.462 176.342 174.900 -0.034 0.000 1.168 155 G CA 0.779 45.825 45.100 -0.090 0.000 0.771 155 G HN 0.258 nan 8.290 nan 0.000 0.551 156 Y N 0.596 120.914 120.300 0.029 0.000 2.224 156 Y HA 0.042 4.641 4.550 0.083 0.000 0.289 156 Y C 2.747 178.669 175.900 0.036 0.000 1.146 156 Y CA 0.351 58.469 58.100 0.031 0.000 1.182 156 Y CB -0.412 38.065 38.460 0.028 0.000 0.983 156 Y HN 0.145 nan 8.280 nan 0.000 0.524 157 I N -1.446 119.238 120.570 0.190 0.000 2.179 157 I HA -0.350 3.869 4.170 0.082 0.000 0.242 157 I C 2.262 178.449 176.117 0.118 0.000 1.088 157 I CA 1.202 62.572 61.300 0.117 0.000 1.357 157 I CB -0.575 37.460 38.000 0.058 0.000 1.051 157 I HN 0.218 nan 8.210 nan 0.000 0.409 158 C N 0.092 119.478 119.300 0.144 0.000 2.422 158 C HA -0.188 4.321 4.460 0.082 0.000 0.279 158 C C 2.833 177.927 174.990 0.173 0.000 1.305 158 C CA 1.115 60.269 59.018 0.226 0.000 1.757 158 C CB -1.158 26.734 27.740 0.254 0.000 1.962 158 C HN 0.572 nan 8.230 nan 0.000 0.499 159 Q N 0.346 120.226 119.800 0.133 0.000 2.137 159 Q HA -0.127 4.262 4.340 0.082 0.000 0.198 159 Q C 1.041 177.106 176.000 0.109 0.000 0.960 159 Q CA 1.406 57.277 55.803 0.112 0.000 0.847 159 Q CB -0.036 28.775 28.738 0.123 0.000 0.915 159 Q HN 0.585 nan 8.270 nan 0.000 0.448 160 D N -0.122 120.347 120.400 0.115 0.000 2.360 160 D HA 0.197 4.886 4.640 0.082 0.000 0.210 160 D C 0.298 176.642 176.300 0.073 0.000 1.047 160 D CA 0.284 54.335 54.000 0.086 0.000 0.854 160 D CB 0.833 41.678 40.800 0.076 0.000 0.936 160 D HN 0.272 nan 8.370 nan 0.000 0.514 161 I N 0.794 121.411 120.570 0.080 0.000 2.562 161 I HA 0.095 4.315 4.170 0.082 0.000 0.301 161 I C 0.379 176.539 176.117 0.072 0.000 1.003 161 I CA -1.061 60.277 61.300 0.063 0.000 1.127 161 I CB 2.042 40.066 38.000 0.040 0.000 1.304 161 I HN -0.293 nan 8.210 nan 0.000 0.446 162 D N 7.438 127.874 120.400 0.060 0.000 2.472 162 D HA -0.009 4.680 4.640 0.082 0.000 0.248 162 D C -1.395 174.952 176.300 0.078 0.000 1.174 162 D CA -1.247 52.794 54.000 0.068 0.000 0.883 162 D CB 1.325 42.157 40.800 0.054 0.000 1.149 162 D HN 0.271 nan 8.370 nan 0.000 0.488 163 P HA -0.204 nan 4.420 nan 0.000 0.217 163 P C 0.819 178.197 177.300 0.130 0.000 1.151 163 P CA 1.244 64.495 63.100 0.251 0.000 0.849 163 P CB 0.267 32.147 31.700 0.301 0.000 0.787 164 E N -0.495 119.759 120.200 0.090 0.000 2.265 164 E HA -0.170 4.229 4.350 0.082 0.000 0.196 164 E C 2.111 178.717 176.600 0.010 0.000 0.996 164 E CA 0.649 57.084 56.400 0.058 0.000 0.832 164 E CB -0.202 29.531 29.700 0.054 0.000 0.756 164 E HN 0.379 nan 8.360 nan 0.000 0.491 165 Q N -0.350 119.441 119.800 -0.016 0.000 2.389 165 Q HA 0.024 4.413 4.340 0.082 0.000 0.204 165 Q C 1.815 177.737 176.000 -0.129 0.000 0.944 165 Q CA 0.624 56.401 55.803 -0.044 0.000 0.908 165 Q CB 0.434 29.160 28.738 -0.020 0.000 1.002 165 Q HN 0.377 nan 8.270 nan 0.000 0.493 166 L N -0.490 120.573 121.223 -0.267 0.000 2.664 166 L HA 0.097 4.486 4.340 0.082 0.000 0.233 166 L C 2.233 178.822 176.870 -0.468 0.000 1.113 166 L CA 0.040 54.563 54.840 -0.529 0.000 0.896 166 L CB 0.022 41.395 42.059 -1.142 0.000 1.163 166 L HN 0.149 nan 8.230 nan 0.000 0.497 167 Q N 1.204 120.883 119.800 -0.201 0.000 2.133 167 Q HA -0.266 4.124 4.340 0.082 0.000 0.208 167 Q C 1.335 177.339 176.000 0.006 0.000 0.991 167 Q CA 2.293 58.100 55.803 0.007 0.000 0.867 167 Q CB 0.060 28.838 28.738 0.068 0.000 0.911 167 Q HN 0.615 nan 8.270 nan 0.000 0.417 168 D N -0.976 119.407 120.400 -0.029 0.000 2.363 168 D HA -0.106 4.583 4.640 0.082 0.000 0.226 168 D C 0.612 176.900 176.300 -0.019 0.000 1.020 168 D CA 0.681 54.675 54.000 -0.009 0.000 0.892 168 D CB 0.073 40.868 40.800 -0.007 0.000 0.900 168 D HN 0.234 nan 8.370 nan 0.000 0.531 169 K N 0.229 120.595 120.400 -0.057 0.000 2.501 169 K HA 0.086 4.455 4.320 0.082 0.000 0.204 169 K C 1.687 178.280 176.600 -0.012 0.000 1.067 169 K CA 0.077 56.335 56.287 -0.048 0.000 1.060 169 K CB 0.914 33.362 32.500 -0.088 0.000 0.873 169 K HN 0.036 nan 8.250 nan 0.000 0.540 170 S N 0.885 116.612 115.700 0.045 0.000 2.387 170 S HA -0.219 4.300 4.470 0.082 0.000 0.230 170 S C 1.681 176.366 174.600 0.141 0.000 1.035 170 S CA 1.247 59.568 58.200 0.200 0.000 1.014 170 S CB -0.260 63.131 63.200 0.318 0.000 0.836 170 S HN 0.249 nan 8.310 nan 0.000 0.466 171 N N 2.027 120.777 118.700 0.083 0.000 2.043 171 N HA -0.116 4.673 4.740 0.082 0.000 0.193 171 N C 1.851 177.391 175.510 0.050 0.000 1.037 171 N CA 1.938 55.024 53.050 0.060 0.000 0.851 171 N CB -0.486 38.026 38.487 0.042 0.000 1.027 171 N HN 0.710 nan 8.380 nan 0.000 0.422 172 E N 0.660 120.881 120.200 0.035 0.000 2.028 172 E HA -0.050 4.349 4.350 0.082 0.000 0.191 172 E C 2.200 178.816 176.600 0.026 0.000 0.988 172 E CA 0.621 57.033 56.400 0.020 0.000 0.799 172 E CB -0.124 29.575 29.700 -0.001 0.000 0.755 172 E HN 0.318 nan 8.360 nan 0.000 0.447 173 I N 1.257 121.852 120.570 0.041 0.000 2.163 173 I HA -0.304 3.915 4.170 0.082 0.000 0.243 173 I C 2.461 178.619 176.117 0.069 0.000 1.085 173 I CA 1.142 62.480 61.300 0.064 0.000 1.347 173 I CB -0.267 37.811 38.000 0.129 0.000 1.044 173 I HN 0.139 nan 8.210 nan 0.000 0.408 174 L N -0.023 121.248 121.223 0.081 0.000 2.131 174 L HA -0.195 4.194 4.340 0.082 0.000 0.210 174 L C 2.611 179.482 176.870 0.001 0.000 1.092 174 L CA 1.408 56.265 54.840 0.029 0.000 0.759 174 L CB -0.698 41.374 42.059 0.022 0.000 0.903 174 L HN 0.289 nan 8.230 nan 0.000 0.435 175 T N -0.225 114.346 114.554 0.029 0.000 2.746 175 T HA -0.178 4.221 4.350 0.082 0.000 0.267 175 T C 1.954 176.662 174.700 0.013 0.000 1.039 175 T CA 1.352 63.475 62.100 0.039 0.000 1.142 175 T CB -0.133 68.761 68.868 0.045 0.000 0.866 175 T HN 0.469 nan 8.240 nan 0.000 0.444 176 A N 1.120 123.942 122.820 0.003 0.000 1.855 176 A HA 0.008 4.377 4.320 0.082 0.000 0.215 176 A C 2.289 179.857 177.584 -0.026 0.000 1.191 176 A CA 1.184 53.215 52.037 -0.010 0.000 0.613 176 A CB -0.765 18.229 19.000 -0.011 0.000 0.829 176 A HN 0.503 nan 8.150 nan 0.000 0.442 177 I N -0.259 120.292 120.570 -0.030 0.000 2.179 177 I HA -0.260 3.959 4.170 0.082 0.000 0.242 177 I C 2.240 178.301 176.117 -0.094 0.000 1.088 177 I CA 1.440 62.707 61.300 -0.054 0.000 1.357 177 I CB -0.344 37.628 38.000 -0.047 0.000 1.051 177 I HN 0.296 nan 8.210 nan 0.000 0.409 178 I N 0.244 120.739 120.570 -0.125 0.000 2.493 178 I HA -0.280 3.939 4.170 0.082 0.000 0.254 178 I C 2.598 178.625 176.117 -0.149 0.000 1.160 178 I CA 1.012 62.179 61.300 -0.222 0.000 1.445 178 I CB -0.279 37.497 38.000 -0.374 0.000 1.086 178 I HN 0.289 nan 8.210 nan 0.000 0.433 179 Q N 1.392 121.152 119.800 -0.066 0.000 2.046 179 Q HA -0.112 4.277 4.340 0.082 0.000 0.200 179 Q C 2.182 178.159 176.000 -0.039 0.000 0.975 179 Q CA 2.068 57.857 55.803 -0.024 0.000 0.836 179 Q CB -0.580 28.157 28.738 -0.001 0.000 0.896 179 Q HN 0.426 nan 8.270 nan 0.000 0.428 180 G N -0.191 108.580 108.800 -0.049 0.000 2.471 180 G HA2 -0.169 3.840 3.960 0.082 0.000 0.219 180 G HA3 -0.169 3.840 3.960 0.082 0.000 0.219 180 G C 1.235 176.098 174.900 -0.062 0.000 1.125 180 G CA 0.729 45.798 45.100 -0.050 0.000 0.775 180 G HN 0.356 nan 8.290 nan 0.000 0.548 181 M N 0.473 120.024 119.600 -0.082 0.000 2.541 181 M HA 0.134 4.664 4.480 0.082 0.000 0.252 181 M C 1.349 177.597 176.300 -0.087 0.000 1.125 181 M CA -0.099 55.145 55.300 -0.093 0.000 1.091 181 M CB 0.117 32.641 32.600 -0.127 0.000 1.420 181 M HN 0.213 nan 8.290 nan 0.000 0.486 182 R N 1.457 121.914 120.500 -0.072 0.000 2.698 182 R HA -0.030 4.359 4.340 0.082 0.000 0.266 182 R C 0.735 177.012 176.300 -0.037 0.000 1.026 182 R CA 0.335 56.407 56.100 -0.048 0.000 1.102 182 R CB 0.460 30.753 30.300 -0.012 0.000 0.978 182 R HN 0.102 nan 8.270 nan 0.000 0.436 183 K N 1.628 122.010 120.400 -0.030 0.000 2.152 183 K HA -0.215 4.155 4.320 0.082 0.000 0.206 183 K C 1.040 177.628 176.600 -0.020 0.000 1.048 183 K CA 2.212 58.483 56.287 -0.026 0.000 0.933 183 K CB 0.119 32.607 32.500 -0.020 0.000 0.721 183 K HN 0.706 nan 8.250 nan 0.000 0.447 184 E N 0.934 121.126 120.200 -0.013 0.000 2.268 184 E HA -0.136 4.263 4.350 0.082 0.000 0.195 184 E C 0.168 176.759 176.600 -0.016 0.000 0.995 184 E CA 0.491 56.885 56.400 -0.010 0.000 0.836 184 E CB -0.100 29.598 29.700 -0.003 0.000 0.763 184 E HN 0.236 nan 8.360 nan 0.000 0.491 185 E N 1.261 121.448 120.200 -0.021 0.000 2.493 185 E HA -0.031 4.369 4.350 0.082 0.000 0.255 185 E C -1.807 174.776 176.600 -0.028 0.000 0.999 185 E CA -1.212 55.173 56.400 -0.025 0.000 0.934 185 E CB 0.728 30.408 29.700 -0.033 0.000 0.940 185 E HN -0.132 nan 8.360 nan 0.000 0.473 186 P HA -0.118 nan 4.420 nan 0.000 0.214 186 P C -0.152 177.127 177.300 -0.035 0.000 1.163 186 P CA 0.971 64.054 63.100 -0.028 0.000 0.883 186 P CB 0.118 31.803 31.700 -0.026 0.000 0.788 187 S N -0.328 115.347 115.700 -0.042 0.000 2.528 187 S HA 0.092 4.611 4.470 0.082 0.000 0.277 187 S C 1.239 175.809 174.600 -0.051 0.000 1.297 187 S CA -0.520 57.649 58.200 -0.052 0.000 1.052 187 S CB -0.320 62.840 63.200 -0.067 0.000 0.917 187 S HN -0.024 nan 8.310 nan 0.000 0.492 188 N N 4.314 122.984 118.700 -0.049 0.000 2.409 188 N HA -0.026 4.763 4.740 0.082 0.000 0.179 188 N C 1.004 176.483 175.510 -0.052 0.000 1.032 188 N CA 0.479 53.501 53.050 -0.046 0.000 0.898 188 N CB -0.237 38.226 38.487 -0.040 0.000 0.971 188 N HN 0.604 nan 8.380 nan 0.000 0.441 189 N N 0.701 119.364 118.700 -0.061 0.000 2.244 189 N HA -0.061 4.728 4.740 0.082 0.000 0.183 189 N C 1.811 177.281 175.510 -0.067 0.000 1.016 189 N CA 0.514 53.524 53.050 -0.067 0.000 0.866 189 N CB -0.191 38.244 38.487 -0.087 0.000 0.980 189 N HN 0.033 nan 8.380 nan 0.000 0.430 190 V N 1.769 121.642 119.914 -0.068 0.000 2.453 190 V HA -0.146 4.023 4.120 0.082 0.000 0.247 190 V C 2.116 178.175 176.094 -0.059 0.000 1.048 190 V CA 1.388 63.651 62.300 -0.062 0.000 1.049 190 V CB -0.265 31.524 31.823 -0.057 0.000 0.672 190 V HN 0.280 nan 8.190 nan 0.000 0.457 191 K N -0.327 120.039 120.400 -0.057 0.000 2.057 191 K HA -0.162 4.208 4.320 0.082 0.000 0.206 191 K C 2.085 178.649 176.600 -0.061 0.000 1.050 191 K CA 1.264 57.516 56.287 -0.058 0.000 0.935 191 K CB -0.362 32.105 32.500 -0.054 0.000 0.715 191 K HN 0.248 nan 8.250 nan 0.000 0.439 192 L N 1.446 122.635 121.223 -0.057 0.000 1.994 192 L HA -0.157 4.232 4.340 0.082 0.000 0.208 192 L C 2.292 179.123 176.870 -0.064 0.000 1.071 192 L CA 1.974 56.780 54.840 -0.056 0.000 0.745 192 L CB -0.847 41.182 42.059 -0.050 0.000 0.892 192 L HN 0.147 nan 8.230 nan 0.000 0.431 193 A N -0.571 122.209 122.820 -0.067 0.000 1.908 193 A HA -0.165 4.205 4.320 0.082 0.000 0.218 193 A C 2.439 179.976 177.584 -0.078 0.000 1.181 193 A CA 2.132 54.122 52.037 -0.077 0.000 0.627 193 A CB -1.256 17.700 19.000 -0.073 0.000 0.818 193 A HN 0.613 nan 8.150 nan 0.000 0.445 194 A N -1.111 121.667 122.820 -0.070 0.000 1.902 194 A HA -0.079 4.291 4.320 0.082 0.000 0.217 194 A C 2.304 179.843 177.584 -0.075 0.000 1.181 194 A CA 2.281 54.276 52.037 -0.070 0.000 0.623 194 A CB -1.234 17.725 19.000 -0.069 0.000 0.818 194 A HN 0.442 nan 8.150 nan 0.000 0.443 195 T N 0.595 115.103 114.554 -0.076 0.000 2.821 195 T HA -0.105 4.294 4.350 0.082 0.000 0.267 195 T C 1.789 176.445 174.700 -0.073 0.000 1.046 195 T CA 1.347 63.401 62.100 -0.077 0.000 1.139 195 T CB -0.361 68.465 68.868 -0.071 0.000 0.871 195 T HN 0.459 nan 8.240 nan 0.000 0.454 196 N N 1.421 120.077 118.700 -0.073 0.000 2.188 196 N HA 0.047 4.836 4.740 0.082 0.000 0.184 196 N C 2.079 177.542 175.510 -0.078 0.000 1.018 196 N CA 1.156 54.161 53.050 -0.075 0.000 0.858 196 N CB -0.454 37.982 38.487 -0.085 0.000 0.989 196 N HN 0.428 nan 8.380 nan 0.000 0.426 197 A N 0.841 123.614 122.820 -0.078 0.000 1.930 197 A HA -0.062 4.307 4.320 0.082 0.000 0.217 197 A C 2.204 179.754 177.584 -0.056 0.000 1.175 197 A CA 0.781 52.781 52.037 -0.061 0.000 0.627 197 A CB -0.604 18.365 19.000 -0.052 0.000 0.815 197 A HN 0.230 nan 8.150 nan 0.000 0.443 198 L N -0.683 120.497 121.223 -0.072 0.000 2.046 198 L HA -0.120 4.269 4.340 0.082 0.000 0.208 198 L C 2.199 179.008 176.870 -0.102 0.000 1.077 198 L CA 1.942 56.729 54.840 -0.088 0.000 0.747 198 L CB -0.642 41.362 42.059 -0.091 0.000 0.896 198 L HN 0.320 nan 8.230 nan 0.000 0.432 199 L N 0.125 121.297 121.223 -0.085 0.000 2.129 199 L HA -0.242 4.147 4.340 0.082 0.000 0.212 199 L C 2.041 178.855 176.870 -0.093 0.000 1.087 199 L CA 1.804 56.594 54.840 -0.083 0.000 0.757 199 L CB -0.827 41.191 42.059 -0.067 0.000 0.896 199 L HN 0.453 nan 8.230 nan 0.000 0.434 200 N N -1.545 117.107 118.700 -0.079 0.000 2.422 200 N HA -0.010 4.779 4.740 0.082 0.000 0.181 200 N C 1.635 177.081 175.510 -0.106 0.000 1.080 200 N CA 0.997 54.015 53.050 -0.055 0.000 0.893 200 N CB 0.114 38.602 38.487 0.001 0.000 0.973 200 N HN 0.514 nan 8.380 nan 0.000 0.456 201 S N -0.238 115.324 115.700 -0.229 0.000 2.540 201 S HA 0.213 4.733 4.470 0.082 0.000 0.218 201 S C 1.789 175.845 174.600 -0.907 0.000 0.977 201 S CA -0.304 57.492 58.200 -0.673 0.000 0.918 201 S CB -0.189 62.791 63.200 -0.367 0.000 0.806 201 S HN 0.104 nan 8.310 nan 0.000 0.496 202 L N 1.269 122.237 121.223 -0.425 0.000 2.131 202 L HA -0.085 4.304 4.340 0.082 0.000 0.210 202 L C 2.549 179.266 176.870 -0.255 0.000 1.092 202 L CA 1.535 56.213 54.840 -0.271 0.000 0.759 202 L CB -0.601 41.365 42.059 -0.155 0.000 0.903 202 L HN 0.429 nan 8.230 nan 0.000 0.435 203 E N 0.136 120.166 120.200 -0.282 0.000 2.204 203 E HA -0.193 4.206 4.350 0.082 0.000 0.194 203 E C 1.475 178.058 176.600 -0.028 0.000 0.989 203 E CA 1.182 57.495 56.400 -0.145 0.000 0.824 203 E CB -0.048 29.612 29.700 -0.066 0.000 0.756 203 E HN 0.657 nan 8.360 nan 0.000 0.477 204 F N -0.544 119.433 119.950 0.045 0.000 2.664 204 F HA 0.277 4.854 4.527 0.084 0.000 0.303 204 F C 1.327 177.180 175.800 0.088 0.000 1.092 204 F CA 0.023 58.057 58.000 0.057 0.000 1.305 204 F CB -0.540 38.484 39.000 0.040 0.000 1.054 204 F HN -0.215 nan 8.300 nan 0.000 0.565 205 T N -3.302 111.295 114.554 0.072 0.000 3.206 205 T HA 0.123 4.522 4.350 0.082 0.000 0.253 205 T C 1.528 176.374 174.700 0.243 0.000 1.042 205 T CA -0.078 62.123 62.100 0.168 0.000 0.931 205 T CB -0.126 68.805 68.868 0.105 0.000 1.029 205 T HN 0.427 nan 8.240 nan 0.000 0.564 206 K N 1.697 122.246 120.400 0.248 0.000 2.044 206 K HA -0.087 4.282 4.320 0.082 0.000 0.210 206 K C 2.525 179.249 176.600 0.206 0.000 1.049 206 K CA 1.491 57.940 56.287 0.270 0.000 0.927 206 K CB -0.713 31.924 32.500 0.229 0.000 0.713 206 K HN 0.400 nan 8.250 nan 0.000 0.443 207 A N 1.614 124.536 122.820 0.171 0.000 1.948 207 A HA -0.227 4.142 4.320 0.082 0.000 0.220 207 A C 1.783 179.430 177.584 0.105 0.000 1.177 207 A CA 1.942 54.060 52.037 0.135 0.000 0.636 207 A CB -0.659 18.410 19.000 0.115 0.000 0.815 207 A HN 0.467 nan 8.150 nan 0.000 0.449 208 N N -1.042 117.712 118.700 0.090 0.000 2.171 208 N HA -0.085 4.705 4.740 0.082 0.000 0.184 208 N C 1.368 176.811 175.510 -0.112 0.000 1.021 208 N CA 1.323 54.369 53.050 -0.007 0.000 0.854 208 N CB -0.470 37.996 38.487 -0.035 0.000 0.994 208 N HN 0.497 nan 8.380 nan 0.000 0.426 209 F N 1.998 121.808 119.950 -0.233 0.000 2.365 209 F HA -0.056 4.520 4.527 0.081 0.000 0.300 209 F C 1.798 177.533 175.800 -0.107 0.000 1.090 209 F CA 0.770 58.536 58.000 -0.389 0.000 1.408 209 F CB -0.049 38.307 39.000 -1.073 0.000 1.060 209 F HN -0.061 nan 8.300 nan 0.000 0.534 210 D N 0.013 120.519 120.400 0.177 0.000 2.312 210 D HA -0.062 4.627 4.640 0.082 0.000 0.211 210 D C 0.525 176.928 176.300 0.172 0.000 0.964 210 D CA 0.781 54.949 54.000 0.280 0.000 0.877 210 D CB -0.094 40.847 40.800 0.235 0.000 0.924 210 D HN 0.227 nan 8.370 nan 0.000 0.515 211 K N 1.284 121.736 120.400 0.087 0.000 2.253 211 K HA 0.098 4.468 4.320 0.082 0.000 0.277 211 K C 1.005 177.636 176.600 0.052 0.000 1.053 211 K CA -0.199 56.123 56.287 0.057 0.000 0.892 211 K CB 2.062 34.577 32.500 0.026 0.000 1.102 211 K HN -0.048 nan 8.250 nan 0.000 0.469 212 E N 2.053 122.299 120.200 0.075 0.000 2.086 212 E HA -0.284 4.115 4.350 0.082 0.000 0.200 212 E C 1.582 178.236 176.600 0.090 0.000 1.012 212 E CA 1.792 58.246 56.400 0.089 0.000 0.812 212 E CB 0.160 29.895 29.700 0.058 0.000 0.743 212 E HN 0.551 nan 8.360 nan 0.000 0.453 213 S N -0.277 115.457 115.700 0.057 0.000 2.368 213 S HA -0.161 4.358 4.470 0.082 0.000 0.224 213 S C 1.694 176.338 174.600 0.073 0.000 1.029 213 S CA 1.412 59.650 58.200 0.064 0.000 0.988 213 S CB -0.199 63.010 63.200 0.014 0.000 0.838 213 S HN 0.353 nan 8.310 nan 0.000 0.462 214 E N 0.772 120.984 120.200 0.019 0.000 2.072 214 E HA -0.132 4.267 4.350 0.082 0.000 0.190 214 E C 2.389 178.900 176.600 -0.149 0.000 0.982 214 E CA 0.633 57.027 56.400 -0.010 0.000 0.803 214 E CB -0.299 29.366 29.700 -0.058 0.000 0.755 214 E HN 0.438 nan 8.360 nan 0.000 0.453 215 R N 0.851 121.211 120.500 -0.232 0.000 2.083 215 R HA -0.239 4.150 4.340 0.082 0.000 0.237 215 R C 2.356 178.532 176.300 -0.206 0.000 1.137 215 R CA 1.973 57.806 56.100 -0.444 0.000 0.951 215 R CB -0.379 29.816 30.300 -0.174 0.000 0.851 215 R HN 0.220 nan 8.270 nan 0.000 0.434 216 H N -0.430 118.629 119.070 -0.019 0.000 2.387 216 H HA -0.156 4.448 4.556 0.081 0.000 0.299 216 H C 1.617 176.993 175.328 0.081 0.000 1.090 216 H CA 1.976 58.087 56.048 0.104 0.000 1.332 216 H CB -0.364 29.490 29.762 0.153 0.000 1.386 216 H HN 0.272 nan 8.280 nan 0.000 0.516 217 F N 0.482 120.322 119.950 -0.184 0.000 2.146 217 F HA -0.087 4.489 4.527 0.082 0.000 0.298 217 F C 2.106 177.750 175.800 -0.260 0.000 1.096 217 F CA 1.252 59.120 58.000 -0.220 0.000 1.275 217 F CB -0.746 38.172 39.000 -0.136 0.000 1.008 217 F HN 0.209 nan 8.300 nan 0.000 0.480 218 I N -0.489 119.871 120.570 -0.350 0.000 2.202 218 I HA -0.340 3.879 4.170 0.082 0.000 0.242 218 I C 2.406 178.299 176.117 -0.374 0.000 1.091 218 I CA 1.000 62.017 61.300 -0.472 0.000 1.368 218 I CB -0.446 37.218 38.000 -0.561 0.000 1.058 218 I HN 0.088 nan 8.210 nan 0.000 0.410 219 M N -0.081 119.289 119.600 -0.383 0.000 2.080 219 M HA -0.266 4.263 4.480 0.082 0.000 0.260 219 M C 2.318 178.458 176.300 -0.266 0.000 1.068 219 M CA 1.753 56.834 55.300 -0.366 0.000 1.109 219 M CB -1.358 30.858 32.600 -0.640 0.000 1.342 219 M HN 0.318 nan 8.290 nan 0.000 0.405 220 Q N -0.068 119.563 119.800 -0.283 0.000 2.050 220 Q HA -0.138 4.251 4.340 0.082 0.000 0.202 220 Q C 2.059 177.960 176.000 -0.164 0.000 0.980 220 Q CA 1.658 57.338 55.803 -0.206 0.000 0.840 220 Q CB 0.126 28.724 28.738 -0.233 0.000 0.898 220 Q HN 0.342 nan 8.270 nan 0.000 0.424 221 V N -0.294 119.484 119.914 -0.228 0.000 2.358 221 V HA -0.219 3.950 4.120 0.082 0.000 0.246 221 V C 2.219 178.204 176.094 -0.182 0.000 1.047 221 V CA 1.316 63.479 62.300 -0.227 0.000 1.035 221 V CB -0.323 31.268 31.823 -0.387 0.000 0.658 221 V HN 0.230 nan 8.190 nan 0.000 0.452 222 V N -0.939 118.861 119.914 -0.190 0.000 2.270 222 V HA -0.267 3.902 4.120 0.082 0.000 0.245 222 V C 2.538 178.563 176.094 -0.114 0.000 1.043 222 V CA 2.284 64.499 62.300 -0.143 0.000 1.014 222 V CB -0.640 31.104 31.823 -0.132 0.000 0.645 222 V HN 0.638 nan 8.190 nan 0.000 0.447 223 C N -0.391 118.840 119.300 -0.114 0.000 2.411 223 C HA -0.165 4.345 4.460 0.082 0.000 0.279 223 C C 2.698 177.644 174.990 -0.073 0.000 1.288 223 C CA 1.154 60.120 59.018 -0.087 0.000 1.764 223 C CB -0.942 26.758 27.740 -0.067 0.000 1.974 223 C HN 0.640 nan 8.230 nan 0.000 0.498 224 E N 0.800 120.954 120.200 -0.077 0.000 2.051 224 E HA -0.145 4.255 4.350 0.082 0.000 0.192 224 E C 2.230 178.793 176.600 -0.061 0.000 0.991 224 E CA 1.307 57.671 56.400 -0.061 0.000 0.799 224 E CB -0.192 29.471 29.700 -0.061 0.000 0.748 224 E HN 0.614 nan 8.360 nan 0.000 0.449 225 A N 0.200 122.975 122.820 -0.074 0.000 2.172 225 A HA -0.134 4.236 4.320 0.082 0.000 0.216 225 A C 2.195 179.743 177.584 -0.061 0.000 1.154 225 A CA 1.698 53.694 52.037 -0.068 0.000 0.701 225 A CB -0.821 18.133 19.000 -0.078 0.000 0.789 225 A HN 0.437 nan 8.150 nan 0.000 0.465 226 T N -3.378 111.138 114.554 -0.064 0.000 3.118 226 T HA -0.023 4.376 4.350 0.082 0.000 0.260 226 T C 1.222 175.891 174.700 -0.052 0.000 1.139 226 T CA 1.018 63.082 62.100 -0.062 0.000 1.085 226 T CB -0.070 68.754 68.868 -0.075 0.000 0.934 226 T HN 0.398 nan 8.240 nan 0.000 0.518 227 Q N 0.071 119.843 119.800 -0.047 0.000 2.219 227 Q HA 0.277 4.666 4.340 0.082 0.000 0.209 227 Q C 0.803 176.782 176.000 -0.034 0.000 0.854 227 Q CA -0.238 55.543 55.803 -0.038 0.000 0.960 227 Q CB -0.331 28.387 28.738 -0.033 0.000 1.116 227 Q HN 0.630 nan 8.270 nan 0.000 0.500 228 C N 4.321 123.598 119.300 -0.038 0.000 2.634 228 C HA 0.098 4.608 4.460 0.082 0.000 0.418 228 C C -0.456 174.516 174.990 -0.030 0.000 1.373 228 C CA -1.127 57.871 59.018 -0.035 0.000 1.756 228 C CB 0.419 28.136 27.740 -0.039 0.000 2.589 228 C HN 0.308 nan 8.230 nan 0.000 0.602 229 P HA -0.078 nan 4.420 nan 0.000 0.228 229 P C 0.169 177.455 177.300 -0.023 0.000 1.151 229 P CA 1.090 64.176 63.100 -0.023 0.000 0.770 229 P CB -0.110 31.577 31.700 -0.020 0.000 0.786 230 D N 0.717 121.101 120.400 -0.026 0.000 2.295 230 D HA 0.034 4.723 4.640 0.082 0.000 0.248 230 D C 1.346 177.630 176.300 -0.026 0.000 1.154 230 D CA 0.178 54.163 54.000 -0.026 0.000 0.857 230 D CB 1.427 42.209 40.800 -0.029 0.000 1.117 230 D HN -0.002 nan 8.370 nan 0.000 0.468 231 T N 2.543 117.084 114.554 -0.022 0.000 2.720 231 T HA -0.217 4.182 4.350 0.082 0.000 0.268 231 T C 1.774 176.461 174.700 -0.021 0.000 1.037 231 T CA 0.936 63.023 62.100 -0.021 0.000 1.144 231 T CB -0.056 68.802 68.868 -0.016 0.000 0.864 231 T HN 0.427 nan 8.240 nan 0.000 0.444 232 R N 0.695 121.182 120.500 -0.021 0.000 2.081 232 R HA 0.020 4.410 4.340 0.082 0.000 0.235 232 R C 2.658 178.941 176.300 -0.029 0.000 1.131 232 R CA 1.359 57.446 56.100 -0.022 0.000 0.960 232 R CB -0.866 29.421 30.300 -0.022 0.000 0.856 232 R HN 0.324 nan 8.270 nan 0.000 0.436 233 V N 0.956 120.849 119.914 -0.034 0.000 2.358 233 V HA -0.202 3.967 4.120 0.082 0.000 0.246 233 V C 2.464 178.534 176.094 -0.041 0.000 1.047 233 V CA 1.492 63.768 62.300 -0.041 0.000 1.035 233 V CB -0.562 31.235 31.823 -0.043 0.000 0.658 233 V HN 0.276 nan 8.190 nan 0.000 0.452 234 R N -0.075 120.402 120.500 -0.037 0.000 2.080 234 R HA -0.151 4.239 4.340 0.082 0.000 0.236 234 R C 2.299 178.578 176.300 -0.036 0.000 1.137 234 R CA 1.764 57.840 56.100 -0.038 0.000 0.943 234 R CB -0.579 29.700 30.300 -0.034 0.000 0.846 234 R HN 0.435 nan 8.270 nan 0.000 0.431 235 V N 0.782 120.679 119.914 -0.027 0.000 2.295 235 V HA -0.256 3.913 4.120 0.082 0.000 0.246 235 V C 2.513 178.594 176.094 -0.022 0.000 1.049 235 V CA 1.965 64.254 62.300 -0.019 0.000 1.024 235 V CB -0.785 31.031 31.823 -0.011 0.000 0.648 235 V HN 0.439 nan 8.190 nan 0.000 0.447 236 A N -0.107 122.695 122.820 -0.029 0.000 1.902 236 A HA -0.123 4.246 4.320 0.082 0.000 0.217 236 A C 2.425 179.985 177.584 -0.041 0.000 1.181 236 A CA 2.121 54.137 52.037 -0.035 0.000 0.623 236 A CB -0.802 18.172 19.000 -0.043 0.000 0.818 236 A HN 0.578 nan 8.150 nan 0.000 0.443 237 A N -0.286 122.505 122.820 -0.048 0.000 1.902 237 A HA -0.061 4.308 4.320 0.082 0.000 0.217 237 A C 2.174 179.728 177.584 -0.049 0.000 1.181 237 A CA 1.509 53.512 52.037 -0.056 0.000 0.623 237 A CB -0.622 18.340 19.000 -0.064 0.000 0.818 237 A HN 0.474 nan 8.150 nan 0.000 0.443 238 L N -0.735 120.463 121.223 -0.042 0.000 2.083 238 L HA -0.264 4.125 4.340 0.082 0.000 0.209 238 L C 2.886 179.755 176.870 -0.001 0.000 1.083 238 L CA 1.563 56.383 54.840 -0.034 0.000 0.752 238 L CB -0.525 41.515 42.059 -0.032 0.000 0.899 238 L HN 0.512 nan 8.230 nan 0.000 0.433 239 Q N -0.386 119.410 119.800 -0.007 0.000 2.167 239 Q HA -0.196 4.193 4.340 0.082 0.000 0.202 239 Q C 1.846 177.837 176.000 -0.015 0.000 0.970 239 Q CA 1.520 57.321 55.803 -0.004 0.000 0.855 239 Q CB -0.194 28.535 28.738 -0.016 0.000 0.911 239 Q HN 0.563 nan 8.270 nan 0.000 0.438 240 N N 0.425 119.109 118.700 -0.027 0.000 2.142 240 N HA -0.099 4.690 4.740 0.082 0.000 0.186 240 N C 1.652 177.154 175.510 -0.013 0.000 1.023 240 N CA 0.826 53.855 53.050 -0.036 0.000 0.852 240 N CB -0.022 38.436 38.487 -0.049 0.000 0.998 240 N HN 0.125 nan 8.380 nan 0.000 0.424 241 L N -0.077 121.153 121.223 0.011 0.000 2.046 241 L HA -0.150 4.239 4.340 0.082 0.000 0.208 241 L C 2.023 178.994 176.870 0.168 0.000 1.077 241 L CA 0.811 55.698 54.840 0.078 0.000 0.747 241 L CB -0.553 41.526 42.059 0.035 0.000 0.896 241 L HN 0.089 nan 8.230 nan 0.000 0.432 242 V N 0.205 120.207 119.914 0.147 0.000 2.287 242 V HA -0.352 3.817 4.120 0.082 0.000 0.248 242 V C 2.584 178.624 176.094 -0.090 0.000 1.053 242 V CA 2.143 64.465 62.300 0.037 0.000 1.027 242 V CB -0.511 31.323 31.823 0.020 0.000 0.646 242 V HN 0.438 nan 8.190 nan 0.000 0.447 243 K N -0.306 120.053 120.400 -0.069 0.000 2.057 243 K HA -0.110 4.259 4.320 0.082 0.000 0.206 243 K C 2.083 178.610 176.600 -0.121 0.000 1.050 243 K CA 1.513 57.734 56.287 -0.110 0.000 0.935 243 K CB -0.224 32.215 32.500 -0.102 0.000 0.715 243 K HN 0.408 nan 8.250 nan 0.000 0.439 244 I N 0.683 121.211 120.570 -0.070 0.000 2.226 244 I HA -0.290 3.929 4.170 0.082 0.000 0.245 244 I C 2.471 178.563 176.117 -0.041 0.000 1.100 244 I CA 0.939 62.212 61.300 -0.044 0.000 1.374 244 I CB -0.136 37.857 38.000 -0.010 0.000 1.057 244 I HN 0.308 nan 8.210 nan 0.000 0.413 245 M N 0.109 119.667 119.600 -0.070 0.000 2.149 245 M HA -0.215 4.314 4.480 0.082 0.000 0.261 245 M C 2.394 178.632 176.300 -0.103 0.000 1.064 245 M CA 1.828 57.045 55.300 -0.138 0.000 1.102 245 M CB -0.450 31.863 32.600 -0.479 0.000 1.369 245 M HN 0.120 nan 8.290 nan 0.000 0.408 246 S N -0.752 114.852 115.700 -0.160 0.000 2.377 246 S HA 0.029 4.549 4.470 0.082 0.000 0.223 246 S C 1.777 176.263 174.600 -0.189 0.000 1.030 246 S CA 0.955 59.061 58.200 -0.156 0.000 0.970 246 S CB -0.227 62.862 63.200 -0.185 0.000 0.830 246 S HN 0.577 nan 8.310 nan 0.000 0.473 247 L N -0.758 120.280 121.223 -0.309 0.000 2.209 247 L HA 0.139 4.528 4.340 0.082 0.000 0.207 247 L C 0.570 176.959 176.870 -0.801 0.000 1.094 247 L CA 0.784 55.263 54.840 -0.602 0.000 0.790 247 L CB -0.145 41.396 42.059 -0.864 0.000 0.932 247 L HN 0.363 nan 8.230 nan 0.000 0.447 248 Y N -2.528 117.662 120.300 -0.183 0.000 2.699 248 Y HA 0.100 4.698 4.550 0.081 0.000 0.282 248 Y C 1.283 177.302 175.900 0.198 0.000 1.058 248 Y CA -1.023 57.020 58.100 -0.095 0.000 1.194 248 Y CB -0.560 37.582 38.460 -0.529 0.000 1.193 248 Y HN -0.019 nan 8.280 nan 0.000 0.562 249 Y N 1.511 121.892 120.300 0.136 0.000 2.062 249 Y HA -0.393 4.206 4.550 0.081 0.000 0.276 249 Y C 2.064 178.126 175.900 0.270 0.000 1.189 249 Y CA 2.159 60.353 58.100 0.156 0.000 1.130 249 Y CB 0.132 38.640 38.460 0.080 0.000 0.959 249 Y HN 0.197 nan 8.280 nan 0.000 0.499 250 Q N -0.963 119.122 119.800 0.475 0.000 2.439 250 Q HA -0.181 4.208 4.340 0.082 0.000 0.211 250 Q C 1.184 177.260 176.000 0.128 0.000 0.978 250 Q CA 1.309 57.270 55.803 0.262 0.000 0.897 250 Q CB -0.428 28.399 28.738 0.148 0.000 0.956 250 Q HN 0.729 nan 8.270 nan 0.000 0.483 251 Y N -1.657 118.753 120.300 0.185 0.000 2.458 251 Y HA 0.173 4.771 4.550 0.081 0.000 0.256 251 Y C 1.673 177.728 175.900 0.258 0.000 1.159 251 Y CA 0.013 58.248 58.100 0.225 0.000 1.261 251 Y CB 0.365 39.001 38.460 0.293 0.000 1.119 251 Y HN 0.008 nan 8.280 nan 0.000 0.524 252 M N -0.459 119.324 119.600 0.306 0.000 2.502 252 M HA 0.006 4.535 4.480 0.082 0.000 0.243 252 M C 1.806 178.210 176.300 0.173 0.000 1.130 252 M CA 0.534 55.991 55.300 0.262 0.000 1.055 252 M CB -0.484 32.140 32.600 0.040 0.000 1.457 252 M HN 0.372 nan 8.290 nan 0.000 0.488 253 E N 0.468 120.767 120.200 0.166 0.000 2.130 253 E HA -0.190 4.209 4.350 0.082 0.000 0.196 253 E C 1.375 178.010 176.600 0.058 0.000 0.998 253 E CA 1.661 58.166 56.400 0.175 0.000 0.806 253 E CB 0.278 30.059 29.700 0.135 0.000 0.738 253 E HN 0.370 nan 8.360 nan 0.000 0.459 254 T N -0.640 113.893 114.554 -0.035 0.000 2.867 254 T HA -0.131 4.268 4.350 0.082 0.000 0.268 254 T C 0.932 175.370 174.700 -0.437 0.000 1.057 254 T CA 1.233 63.157 62.100 -0.293 0.000 1.136 254 T CB -0.144 68.409 68.868 -0.525 0.000 0.874 254 T HN 0.322 nan 8.240 nan 0.000 0.466 255 Y N -0.553 119.784 120.300 0.061 0.000 2.503 255 Y HA 0.322 4.920 4.550 0.080 0.000 0.277 255 Y C 2.137 178.050 175.900 0.023 0.000 1.102 255 Y CA -0.292 57.838 58.100 0.050 0.000 1.261 255 Y CB -0.420 38.075 38.460 0.058 0.000 1.096 255 Y HN 0.034 nan 8.280 nan 0.000 0.546 256 M N 1.008 120.669 119.600 0.102 0.000 2.352 256 M HA -0.196 4.333 4.480 0.082 0.000 0.260 256 M C 2.358 178.721 176.300 0.104 0.000 1.068 256 M CA 2.494 57.818 55.300 0.039 0.000 1.082 256 M CB -1.166 31.352 32.600 -0.137 0.000 1.262 256 M HN 0.280 nan 8.290 nan 0.000 0.444 257 G N -0.313 108.525 108.800 0.064 0.000 2.421 257 G HA2 -0.148 3.861 3.960 0.082 0.000 0.216 257 G HA3 -0.148 3.861 3.960 0.082 0.000 0.216 257 G C -0.772 174.153 174.900 0.042 0.000 1.171 257 G CA 0.770 45.885 45.100 0.025 0.000 0.775 257 G HN 0.591 nan 8.290 nan 0.000 0.543 258 P HA 0.261 nan 4.420 nan 0.000 0.236 258 P C 0.725 178.072 177.300 0.080 0.000 1.177 258 P CA 1.672 64.801 63.100 0.049 0.000 0.773 258 P CB 0.615 32.330 31.700 0.024 0.000 0.878 259 A N -0.994 121.889 122.820 0.104 0.000 1.472 259 A HA 0.152 4.522 4.320 0.082 0.000 0.214 259 A C 1.802 179.418 177.584 0.053 0.000 1.836 259 A CA -0.015 52.074 52.037 0.087 0.000 1.436 259 A CB -0.849 18.215 19.000 0.106 0.000 1.362 259 A HN -0.002 nan 8.150 nan 0.000 0.359 260 L N -0.565 120.688 121.223 0.050 0.000 2.079 260 L HA -0.147 4.242 4.340 0.082 0.000 0.210 260 L C 2.412 179.235 176.870 -0.078 0.000 1.081 260 L CA 2.036 56.827 54.840 -0.082 0.000 0.752 260 L CB -0.592 41.421 42.059 -0.076 0.000 0.896 260 L HN 0.522 nan 8.230 nan 0.000 0.433 261 F N 0.997 120.934 119.950 -0.022 0.000 2.102 261 F HA -0.238 4.330 4.527 0.067 0.000 0.298 261 F C 2.501 178.298 175.800 -0.004 0.000 1.105 261 F CA 1.391 59.437 58.000 0.076 0.000 1.239 261 F CB -0.290 38.738 39.000 0.048 0.000 0.991 261 F HN -0.008 nan 8.300 nan 0.000 0.474 262 A N 0.593 123.465 122.820 0.087 0.000 1.877 262 A HA -0.155 4.215 4.320 0.082 0.000 0.216 262 A C 2.310 179.830 177.584 -0.107 0.000 1.186 262 A CA 2.010 54.036 52.037 -0.018 0.000 0.620 262 A CB -1.227 17.801 19.000 0.047 0.000 0.822 262 A HN 0.491 nan 8.150 nan 0.000 0.443 263 I N 0.214 120.717 120.570 -0.111 0.000 2.179 263 I HA -0.247 3.972 4.170 0.082 0.000 0.242 263 I C 2.905 178.905 176.117 -0.194 0.000 1.088 263 I CA 1.925 63.139 61.300 -0.143 0.000 1.357 263 I CB -0.644 37.263 38.000 -0.154 0.000 1.051 263 I HN 0.561 nan 8.210 nan 0.000 0.409 264 T N -0.536 113.845 114.554 -0.288 0.000 2.821 264 T HA -0.087 4.313 4.350 0.082 0.000 0.267 264 T C 1.914 176.550 174.700 -0.106 0.000 1.046 264 T CA 0.740 62.678 62.100 -0.269 0.000 1.139 264 T CB -0.333 68.216 68.868 -0.531 0.000 0.871 264 T HN 0.070 nan 8.240 nan 0.000 0.454 265 I N 2.107 122.548 120.570 -0.215 0.000 2.202 265 I HA -0.080 4.140 4.170 0.082 0.000 0.242 265 I C 2.629 178.654 176.117 -0.153 0.000 1.091 265 I CA 1.389 62.528 61.300 -0.268 0.000 1.368 265 I CB -1.186 36.511 38.000 -0.505 0.000 1.058 265 I HN 0.450 nan 8.210 nan 0.000 0.410 266 E N 1.174 121.294 120.200 -0.133 0.000 2.038 266 E HA -0.225 4.175 4.350 0.082 0.000 0.195 266 E C 2.334 178.894 176.600 -0.067 0.000 1.000 266 E CA 1.557 57.907 56.400 -0.084 0.000 0.803 266 E CB -0.243 29.415 29.700 -0.071 0.000 0.750 266 E HN 0.484 nan 8.360 nan 0.000 0.448 267 A N 1.458 124.235 122.820 -0.072 0.000 1.903 267 A HA -0.266 4.103 4.320 0.082 0.000 0.219 267 A C 2.228 179.791 177.584 -0.035 0.000 1.191 267 A CA 1.955 53.961 52.037 -0.052 0.000 0.638 267 A CB -0.653 18.312 19.000 -0.059 0.000 0.823 267 A HN 0.179 nan 8.150 nan 0.000 0.451 268 M N -0.941 118.642 119.600 -0.029 0.000 2.149 268 M HA -0.171 4.358 4.480 0.082 0.000 0.261 268 M C 1.609 177.886 176.300 -0.039 0.000 1.064 268 M CA 1.668 56.957 55.300 -0.020 0.000 1.102 268 M CB -0.332 32.260 32.600 -0.013 0.000 1.369 268 M HN 0.306 nan 8.290 nan 0.000 0.408 269 K N -0.238 120.135 120.400 -0.046 0.000 2.487 269 K HA 0.089 4.459 4.320 0.082 0.000 0.192 269 K C 0.625 177.204 176.600 -0.036 0.000 1.027 269 K CA -0.189 56.073 56.287 -0.041 0.000 1.054 269 K CB 0.062 32.539 32.500 -0.037 0.000 0.824 269 K HN 0.094 nan 8.250 nan 0.000 0.510 270 S N 1.301 116.980 115.700 -0.035 0.000 2.562 270 S HA -0.020 4.499 4.470 0.082 0.000 0.281 270 S C 0.615 175.196 174.600 -0.032 0.000 1.333 270 S CA -0.494 57.687 58.200 -0.031 0.000 1.052 270 S CB 0.611 63.794 63.200 -0.030 0.000 0.884 270 S HN 0.131 nan 8.310 nan 0.000 0.506 271 D N 2.648 123.031 120.400 -0.027 0.000 2.355 271 D HA 0.100 4.789 4.640 0.082 0.000 0.218 271 D C 0.180 176.464 176.300 -0.027 0.000 1.004 271 D CA 0.568 54.551 54.000 -0.028 0.000 0.880 271 D CB 0.036 40.823 40.800 -0.022 0.000 0.911 271 D HN 0.542 nan 8.370 nan 0.000 0.528 272 I N 1.934 122.490 120.570 -0.024 0.000 2.308 272 I HA -0.003 4.216 4.170 0.082 0.000 0.293 272 I C 1.164 177.267 176.117 -0.022 0.000 1.078 272 I CA -0.531 60.757 61.300 -0.021 0.000 1.292 272 I CB 1.108 39.097 38.000 -0.018 0.000 1.423 272 I HN -0.332 nan 8.210 nan 0.000 0.493 273 D N 4.398 124.783 120.400 -0.024 0.000 2.126 273 D HA -0.222 4.467 4.640 0.082 0.000 0.190 273 D C 1.751 178.043 176.300 -0.014 0.000 1.001 273 D CA 1.772 55.755 54.000 -0.028 0.000 0.841 273 D CB 0.164 40.946 40.800 -0.029 0.000 0.949 273 D HN 0.564 nan 8.370 nan 0.000 0.446 274 E N -0.112 120.087 120.200 -0.001 0.000 2.160 274 E HA -0.120 4.279 4.350 0.082 0.000 0.195 274 E C 2.218 178.824 176.600 0.011 0.000 0.991 274 E CA 0.438 56.846 56.400 0.013 0.000 0.810 274 E CB 0.033 29.740 29.700 0.012 0.000 0.742 274 E HN 0.090 nan 8.360 nan 0.000 0.466 275 V N 0.425 120.337 119.914 -0.003 0.000 2.323 275 V HA -0.208 3.961 4.120 0.082 0.000 0.244 275 V C 2.185 178.277 176.094 -0.004 0.000 1.041 275 V CA 1.635 63.930 62.300 -0.008 0.000 1.025 275 V CB -0.701 31.111 31.823 -0.019 0.000 0.656 275 V HN 0.363 nan 8.190 nan 0.000 0.451 276 A N -0.032 122.781 122.820 -0.012 0.000 1.908 276 A HA -0.196 4.173 4.320 0.082 0.000 0.218 276 A C 2.209 179.796 177.584 0.006 0.000 1.181 276 A CA 1.919 53.947 52.037 -0.014 0.000 0.627 276 A CB -0.628 18.349 19.000 -0.038 0.000 0.818 276 A HN 0.504 nan 8.150 nan 0.000 0.445 277 L N -0.834 120.396 121.223 0.012 0.000 2.079 277 L HA -0.242 4.148 4.340 0.082 0.000 0.210 277 L C 2.881 179.811 176.870 0.100 0.000 1.081 277 L CA 1.225 56.097 54.840 0.054 0.000 0.752 277 L CB -0.475 41.637 42.059 0.088 0.000 0.896 277 L HN 0.366 nan 8.230 nan 0.000 0.433 278 Q N -0.220 119.624 119.800 0.073 0.000 2.079 278 Q HA -0.094 4.295 4.340 0.082 0.000 0.200 278 Q C 2.342 178.403 176.000 0.102 0.000 0.974 278 Q CA 1.642 57.493 55.803 0.079 0.000 0.840 278 Q CB -0.733 28.029 28.738 0.040 0.000 0.898 278 Q HN 0.540 nan 8.270 nan 0.000 0.430 279 G N 0.828 109.672 108.800 0.074 0.000 2.418 279 G HA2 -0.200 3.809 3.960 0.082 0.000 0.217 279 G HA3 -0.200 3.809 3.960 0.082 0.000 0.217 279 G C 1.579 176.618 174.900 0.231 0.000 1.158 279 G CA 0.601 45.763 45.100 0.104 0.000 0.771 279 G HN 0.309 nan 8.290 nan 0.000 0.545 280 I N 0.551 121.226 120.570 0.176 0.000 2.252 280 I HA -0.096 4.124 4.170 0.082 0.000 0.245 280 I C 2.644 178.898 176.117 0.229 0.000 1.102 280 I CA 1.499 62.920 61.300 0.201 0.000 1.385 280 I CB -0.174 37.886 38.000 0.101 0.000 1.064 280 I HN 0.265 nan 8.210 nan 0.000 0.414 281 E N 1.458 121.775 120.200 0.195 0.000 2.110 281 E HA -0.293 4.106 4.350 0.082 0.000 0.193 281 E C 2.092 178.756 176.600 0.107 0.000 0.988 281 E CA 1.512 58.010 56.400 0.164 0.000 0.804 281 E CB -0.453 29.333 29.700 0.144 0.000 0.745 281 E HN 0.402 nan 8.360 nan 0.000 0.458 282 F N -0.510 119.410 119.950 -0.050 0.000 2.095 282 F HA -0.148 4.427 4.527 0.081 0.000 0.298 282 F C 1.527 177.133 175.800 -0.324 0.000 1.104 282 F CA 2.016 59.883 58.000 -0.222 0.000 1.232 282 F CB -0.421 38.384 39.000 -0.325 0.000 0.987 282 F HN 0.105 nan 8.300 nan 0.000 0.475 283 W N -0.027 121.428 121.300 0.259 0.000 2.467 283 W HA -0.050 4.685 4.660 0.125 0.000 0.275 283 W C 2.707 179.264 176.519 0.064 0.000 1.239 283 W CA 1.144 58.586 57.345 0.162 0.000 1.266 283 W CB -0.702 28.871 29.460 0.189 0.000 1.112 283 W HN -0.139 nan 8.180 nan 0.000 0.576 284 S N -0.031 115.790 115.700 0.202 0.000 2.383 284 S HA -0.181 4.338 4.470 0.082 0.000 0.227 284 S C 1.678 176.300 174.600 0.037 0.000 1.026 284 S CA 1.082 59.364 58.200 0.137 0.000 0.981 284 S CB -0.419 62.866 63.200 0.142 0.000 0.818 284 S HN 0.313 nan 8.310 nan 0.000 0.472 285 N N 1.092 119.752 118.700 -0.066 0.000 2.216 285 N HA -0.028 4.761 4.740 0.082 0.000 0.183 285 N C 1.677 177.089 175.510 -0.164 0.000 1.017 285 N CA 0.835 53.796 53.050 -0.148 0.000 0.861 285 N CB -0.116 38.227 38.487 -0.241 0.000 0.986 285 N HN 0.190 nan 8.380 nan 0.000 0.428 286 V N 0.856 120.643 119.914 -0.212 0.000 2.343 286 V HA -0.266 3.904 4.120 0.082 0.000 0.247 286 V C 2.566 178.695 176.094 0.059 0.000 1.051 286 V CA 1.216 63.466 62.300 -0.084 0.000 1.036 286 V CB -0.606 31.158 31.823 -0.097 0.000 0.654 286 V HN 0.382 nan 8.190 nan 0.000 0.451 287 C N -0.048 119.315 119.300 0.105 0.000 2.413 287 C HA -0.179 4.331 4.460 0.082 0.000 0.276 287 C C 2.566 177.573 174.990 0.028 0.000 1.236 287 C CA 1.053 60.134 59.018 0.106 0.000 1.735 287 C CB -1.075 26.743 27.740 0.129 0.000 2.031 287 C HN 0.588 nan 8.230 nan 0.000 0.474 288 D N 0.341 120.738 120.400 -0.005 0.000 2.117 288 D HA -0.100 4.590 4.640 0.082 0.000 0.197 288 D C 2.286 178.531 176.300 -0.091 0.000 0.987 288 D CA 1.067 55.042 54.000 -0.042 0.000 0.829 288 D CB -0.435 40.332 40.800 -0.055 0.000 0.961 288 D HN 0.529 nan 8.370 nan 0.000 0.460 289 E N 0.380 120.508 120.200 -0.121 0.000 2.106 289 E HA -0.129 4.270 4.350 0.082 0.000 0.192 289 E C 1.942 178.373 176.600 -0.281 0.000 0.984 289 E CA 0.586 56.856 56.400 -0.216 0.000 0.806 289 E CB -0.003 29.555 29.700 -0.236 0.000 0.750 289 E HN 0.434 nan 8.360 nan 0.000 0.458 290 E N 0.035 120.124 120.200 -0.186 0.000 2.158 290 E HA -0.013 4.386 4.350 0.082 0.000 0.191 290 E C 2.104 178.618 176.600 -0.143 0.000 0.982 290 E CA 0.437 56.714 56.400 -0.204 0.000 0.823 290 E CB 0.094 29.744 29.700 -0.084 0.000 0.766 290 E HN 0.144 nan 8.360 nan 0.000 0.468 291 M N 0.599 120.153 119.600 -0.076 0.000 2.086 291 M HA -0.190 4.339 4.480 0.082 0.000 0.261 291 M C 1.602 177.857 176.300 -0.074 0.000 1.067 291 M CA 1.237 56.511 55.300 -0.043 0.000 1.116 291 M CB -0.102 32.489 32.600 -0.015 0.000 1.348 291 M HN 0.046 nan 8.290 nan 0.000 0.407 292 D N 0.483 120.818 120.400 -0.109 0.000 2.144 292 D HA -0.111 4.578 4.640 0.082 0.000 0.199 292 D C 2.061 178.273 176.300 -0.146 0.000 0.984 292 D CA 1.238 55.164 54.000 -0.123 0.000 0.834 292 D CB -0.169 40.542 40.800 -0.149 0.000 0.955 292 D HN 0.352 nan 8.370 nan 0.000 0.465 293 L N 0.727 121.832 121.223 -0.198 0.000 2.083 293 L HA -0.151 4.238 4.340 0.082 0.000 0.209 293 L C 2.600 179.394 176.870 -0.127 0.000 1.083 293 L CA 0.925 55.644 54.840 -0.200 0.000 0.752 293 L CB -0.317 41.559 42.059 -0.303 0.000 0.899 293 L HN -0.035 nan 8.230 nan 0.000 0.433 294 A N 0.309 123.067 122.820 -0.103 0.000 1.877 294 A HA -0.182 4.187 4.320 0.082 0.000 0.216 294 A C 2.215 179.787 177.584 -0.019 0.000 1.186 294 A CA 1.437 53.456 52.037 -0.030 0.000 0.620 294 A CB -0.605 18.401 19.000 0.010 0.000 0.822 294 A HN 0.324 nan 8.150 nan 0.000 0.443 295 I N -0.588 119.961 120.570 -0.035 0.000 2.163 295 I HA -0.283 3.936 4.170 0.082 0.000 0.243 295 I C 2.600 178.697 176.117 -0.034 0.000 1.085 295 I CA 1.899 63.182 61.300 -0.028 0.000 1.347 295 I CB -0.348 37.630 38.000 -0.037 0.000 1.044 295 I HN 0.569 nan 8.210 nan 0.000 0.408 296 E N 1.183 121.348 120.200 -0.058 0.000 2.118 296 E HA -0.272 4.128 4.350 0.082 0.000 0.195 296 E C 2.180 178.766 176.600 -0.023 0.000 0.992 296 E CA 1.430 57.796 56.400 -0.057 0.000 0.804 296 E CB -0.003 29.640 29.700 -0.095 0.000 0.741 296 E HN 0.499 nan 8.360 nan 0.000 0.458 297 A N 0.597 123.408 122.820 -0.014 0.000 1.828 297 A HA -0.219 4.150 4.320 0.082 0.000 0.215 297 A C 2.406 179.999 177.584 0.016 0.000 1.203 297 A CA 1.994 54.038 52.037 0.011 0.000 0.614 297 A CB -1.246 17.770 19.000 0.027 0.000 0.844 297 A HN 0.354 nan 8.150 nan 0.000 0.445 298 S N -0.703 115.006 115.700 0.016 0.000 2.402 298 S HA -0.249 4.270 4.470 0.082 0.000 0.233 298 S C 1.953 176.559 174.600 0.010 0.000 1.030 298 S CA 1.889 60.099 58.200 0.016 0.000 1.003 298 S CB -0.412 62.797 63.200 0.016 0.000 0.813 298 S HN 0.638 nan 8.310 nan 0.000 0.477 299 E N 0.428 120.630 120.200 0.003 0.000 2.005 299 E HA -0.151 4.248 4.350 0.082 0.000 0.198 299 E C 2.274 178.878 176.600 0.006 0.000 1.010 299 E CA 1.159 57.559 56.400 0.000 0.000 0.825 299 E CB -0.502 29.193 29.700 -0.009 0.000 0.769 299 E HN 0.556 nan 8.360 nan 0.000 0.456 300 A N 1.255 124.080 122.820 0.009 0.000 1.917 300 A HA -0.223 4.146 4.320 0.082 0.000 0.219 300 A C 2.414 180.008 177.584 0.016 0.000 1.182 300 A CA 2.377 54.423 52.037 0.015 0.000 0.633 300 A CB -1.033 17.980 19.000 0.021 0.000 0.819 300 A HN 0.481 nan 8.150 nan 0.000 0.448 301 A N -0.150 122.681 122.820 0.018 0.000 1.873 301 A HA -0.219 4.150 4.320 0.082 0.000 0.218 301 A C 1.861 179.454 177.584 0.015 0.000 1.193 301 A CA 1.905 53.954 52.037 0.019 0.000 0.629 301 A CB -0.521 18.492 19.000 0.021 0.000 0.826 301 A HN 0.503 nan 8.150 nan 0.000 0.447 302 E N -0.587 119.621 120.200 0.013 0.000 2.274 302 E HA -0.158 4.242 4.350 0.082 0.000 0.194 302 E C 1.838 178.444 176.600 0.010 0.000 0.996 302 E CA 0.999 57.406 56.400 0.011 0.000 0.840 302 E CB -0.300 29.406 29.700 0.009 0.000 0.772 302 E HN 0.851 nan 8.360 nan 0.000 0.491 303 Q N -0.411 119.396 119.800 0.011 0.000 2.392 303 Q HA 0.075 4.464 4.340 0.082 0.000 0.203 303 Q C 0.779 176.787 176.000 0.013 0.000 0.917 303 Q CA 0.626 56.436 55.803 0.011 0.000 0.939 303 Q CB 0.363 29.107 28.738 0.011 0.000 1.063 303 Q HN 0.273 nan 8.270 nan 0.000 0.516 304 G N 1.751 110.560 108.800 0.014 0.000 4.492 304 G HA2 -0.360 3.649 3.960 0.082 0.000 0.265 304 G HA3 -0.360 3.649 3.960 0.082 0.000 0.265 304 G C -0.157 174.753 174.900 0.017 0.000 1.702 304 G CA -0.143 44.966 45.100 0.015 0.000 1.266 304 G HN 0.527 nan 8.290 nan 0.000 0.643 305 R N 2.077 122.587 120.500 0.017 0.000 2.767 305 R HA 0.324 4.713 4.340 0.082 0.000 0.264 305 R C -2.624 173.689 176.300 0.021 0.000 0.987 305 R CA 0.239 56.351 56.100 0.019 0.000 1.114 305 R CB -0.554 29.758 30.300 0.020 0.000 0.976 305 R HN 0.360 nan 8.270 nan 0.000 0.437 306 P HA 0.207 nan 4.420 nan 0.000 0.282 306 P C -2.277 175.042 177.300 0.033 0.000 1.249 306 P CA -1.517 61.599 63.100 0.026 0.000 0.806 306 P CB 0.609 32.322 31.700 0.023 0.000 0.984 307 P HA 0.031 nan 4.420 nan 0.000 0.269 307 P C -0.064 177.277 177.300 0.069 0.000 1.215 307 P CA 0.186 63.320 63.100 0.056 0.000 0.780 307 P CB 0.997 32.727 31.700 0.050 0.000 0.898 308 E N 0.435 120.711 120.200 0.126 0.000 2.170 308 E HA -0.025 4.374 4.350 0.082 0.000 0.191 308 E C 0.005 176.588 176.600 -0.029 0.000 0.981 308 E CA 1.196 57.638 56.400 0.071 0.000 0.830 308 E CB -0.556 29.214 29.700 0.117 0.000 0.775 308 E HN 0.593 nan 8.360 nan 0.000 0.470 309 H N -0.166 118.894 119.070 -0.017 0.000 2.466 309 H HA 0.518 5.123 4.556 0.081 0.000 0.338 309 H C -0.513 174.793 175.328 -0.036 0.000 1.091 309 H CA -0.856 55.178 56.048 -0.023 0.000 1.207 309 H CB 1.382 31.114 29.762 -0.050 0.000 1.466 309 H HN -0.048 nan 8.280 nan 0.000 0.493 310 T N -0.266 114.332 114.554 0.075 0.000 2.824 310 T HA 0.441 4.840 4.350 0.082 0.000 0.282 310 T C 0.392 175.090 174.700 -0.002 0.000 0.993 310 T CA -1.068 61.049 62.100 0.027 0.000 0.967 310 T CB 1.734 70.629 68.868 0.044 0.000 0.960 310 T HN 0.512 nan 8.240 nan 0.000 0.441 311 S N 1.116 116.715 115.700 -0.169 0.000 2.587 311 S HA 0.239 4.758 4.470 0.082 0.000 0.260 311 S C 0.772 175.207 174.600 -0.275 0.000 1.353 311 S CA -0.370 57.609 58.200 -0.368 0.000 0.995 311 S CB 0.213 62.840 63.200 -0.955 0.000 0.912 311 S HN 0.716 nan 8.310 nan 0.000 0.568 312 K N 1.231 121.446 120.400 -0.308 0.000 2.481 312 K HA 0.200 4.570 4.320 0.082 0.000 0.210 312 K C -0.267 176.204 176.600 -0.214 0.000 1.161 312 K CA 0.029 56.123 56.287 -0.322 0.000 1.023 312 K CB -0.157 31.850 32.500 -0.822 0.000 0.971 312 K HN 0.717 nan 8.250 nan 0.000 0.577 313 F N 0.299 120.169 119.950 -0.133 0.000 3.091 313 F HA -0.280 4.294 4.527 0.078 0.000 0.288 313 F C 0.637 176.483 175.800 0.076 0.000 0.907 313 F CA 0.054 58.052 58.000 -0.003 0.000 1.028 313 F CB -2.795 36.210 39.000 0.008 0.000 1.022 313 F HN 0.047 nan 8.300 nan 0.000 0.665 314 Y N -0.507 120.003 120.300 0.351 0.000 2.193 314 Y HA -0.232 4.366 4.550 0.079 0.000 0.285 314 Y C 2.356 178.558 175.900 0.503 0.000 1.166 314 Y CA 1.405 59.757 58.100 0.419 0.000 1.181 314 Y CB -0.961 37.758 38.460 0.431 0.000 0.976 314 Y HN 0.382 nan 8.280 nan 0.000 0.520 315 A N 0.244 123.424 122.820 0.600 0.000 1.865 315 A HA -0.265 4.104 4.320 0.082 0.000 0.217 315 A C 2.349 180.105 177.584 0.286 0.000 1.191 315 A CA 2.059 54.376 52.037 0.467 0.000 0.623 315 A CB -0.750 18.465 19.000 0.358 0.000 0.826 315 A HN 0.427 nan 8.150 nan 0.000 0.444 316 K N -0.678 119.890 120.400 0.280 0.000 2.032 316 K HA -0.151 4.218 4.320 0.082 0.000 0.209 316 K C 2.030 178.726 176.600 0.159 0.000 1.048 316 K CA 1.694 58.097 56.287 0.195 0.000 0.927 316 K CB -0.629 31.999 32.500 0.212 0.000 0.712 316 K HN 0.390 nan 8.250 nan 0.000 0.441 317 G N -0.018 108.911 108.800 0.214 0.000 2.432 317 G HA2 -0.189 3.820 3.960 0.082 0.000 0.219 317 G HA3 -0.189 3.820 3.960 0.082 0.000 0.219 317 G C 1.386 176.399 174.900 0.189 0.000 1.135 317 G CA 0.819 46.029 45.100 0.183 0.000 0.767 317 G HN 0.456 nan 8.290 nan 0.000 0.550 318 A N -0.258 122.677 122.820 0.192 0.000 2.238 318 A HA 0.421 4.790 4.320 0.082 0.000 0.210 318 A C 2.058 179.685 177.584 0.072 0.000 1.179 318 A CA 0.400 52.540 52.037 0.172 0.000 0.827 318 A CB -0.103 18.786 19.000 -0.184 0.000 0.856 318 A HN 0.291 nan 8.150 nan 0.000 0.488 319 L N 1.022 122.242 121.223 -0.005 0.000 1.997 319 L HA -0.316 4.073 4.340 0.082 0.000 0.216 319 L C 2.793 179.492 176.870 -0.285 0.000 1.074 319 L CA 2.873 57.617 54.840 -0.160 0.000 0.763 319 L CB -0.751 41.181 42.059 -0.210 0.000 0.890 319 L HN 0.715 nan 8.230 nan 0.000 0.434 320 Q N -2.784 116.843 119.800 -0.289 0.000 2.368 320 Q HA -0.242 4.147 4.340 0.082 0.000 0.210 320 Q C 1.685 177.526 176.000 -0.265 0.000 0.982 320 Q CA 2.106 57.737 55.803 -0.286 0.000 0.884 320 Q CB -0.590 28.023 28.738 -0.208 0.000 0.933 320 Q HN 0.618 nan 8.270 nan 0.000 0.460 321 Y N 0.295 120.568 120.300 -0.045 0.000 2.441 321 Y HA 0.171 4.718 4.550 -0.005 0.000 0.288 321 Y C 1.971 177.792 175.900 -0.131 0.000 1.118 321 Y CA 0.040 58.124 58.100 -0.027 0.000 1.215 321 Y CB 0.233 38.751 38.460 0.096 0.000 1.118 321 Y HN -0.046 nan 8.280 nan 0.000 0.547 322 L N -1.006 120.183 121.223 -0.057 0.000 2.005 322 L HA -0.169 4.220 4.340 0.082 0.000 0.207 322 L C 2.242 179.047 176.870 -0.109 0.000 1.072 322 L CA 0.829 55.569 54.840 -0.166 0.000 0.744 322 L CB -0.945 40.962 42.059 -0.253 0.000 0.895 322 L HN 0.040 nan 8.230 nan 0.000 0.433 323 V N 0.613 120.466 119.914 -0.101 0.000 2.231 323 V HA -0.226 3.943 4.120 0.082 0.000 0.250 323 V C -0.034 176.008 176.094 -0.087 0.000 1.058 323 V CA 2.522 64.775 62.300 -0.078 0.000 1.022 323 V CB -2.045 29.756 31.823 -0.037 0.000 0.640 323 V HN 0.388 nan 8.190 nan 0.000 0.445 324 P HA -0.162 nan 4.420 nan 0.000 0.218 324 P C 1.802 179.053 177.300 -0.081 0.000 1.148 324 P CA 1.733 64.808 63.100 -0.041 0.000 0.822 324 P CB -0.039 31.671 31.700 0.016 0.000 0.784 325 I N -0.925 119.601 120.570 -0.075 0.000 2.286 325 I HA -0.186 4.033 4.170 0.082 0.000 0.245 325 I C 2.675 178.717 176.117 -0.125 0.000 1.104 325 I CA 1.035 62.285 61.300 -0.084 0.000 1.397 325 I CB -0.562 37.393 38.000 -0.076 0.000 1.072 325 I HN -0.161 nan 8.210 nan 0.000 0.417 326 L N 0.263 121.405 121.223 -0.135 0.000 2.017 326 L HA -0.203 4.186 4.340 0.082 0.000 0.208 326 L C 2.887 179.607 176.870 -0.250 0.000 1.073 326 L CA 2.050 56.798 54.840 -0.153 0.000 0.745 326 L CB -1.209 40.784 42.059 -0.110 0.000 0.894 326 L HN 0.416 nan 8.230 nan 0.000 0.432 327 T N -3.159 111.169 114.554 -0.377 0.000 2.759 327 T HA -0.294 4.105 4.350 0.082 0.000 0.269 327 T C 1.814 176.091 174.700 -0.704 0.000 1.042 327 T CA 1.477 63.118 62.100 -0.766 0.000 1.140 327 T CB -0.302 67.683 68.868 -1.472 0.000 0.864 327 T HN 0.130 nan 8.240 nan 0.000 0.455 328 Q N 1.193 120.748 119.800 -0.408 0.000 2.119 328 Q HA -0.008 4.382 4.340 0.082 0.000 0.201 328 Q C 2.368 178.236 176.000 -0.220 0.000 0.972 328 Q CA 1.916 57.593 55.803 -0.210 0.000 0.847 328 Q CB -1.066 27.628 28.738 -0.072 0.000 0.903 328 Q HN 0.625 nan 8.270 nan 0.000 0.433 329 T N 0.704 115.136 114.554 -0.203 0.000 2.833 329 T HA -0.071 4.328 4.350 0.082 0.000 0.269 329 T C 1.528 176.106 174.700 -0.204 0.000 1.054 329 T CA 0.958 62.950 62.100 -0.180 0.000 1.135 329 T CB -0.164 68.612 68.868 -0.153 0.000 0.869 329 T HN 0.249 nan 8.240 nan 0.000 0.466 330 L N 0.850 121.938 121.223 -0.225 0.000 2.265 330 L HA -0.080 4.309 4.340 0.082 0.000 0.215 330 L C 2.559 179.300 176.870 -0.215 0.000 1.117 330 L CA 0.916 55.640 54.840 -0.193 0.000 0.782 330 L CB -0.850 41.111 42.059 -0.162 0.000 0.914 330 L HN 0.239 nan 8.230 nan 0.000 0.441 331 T N -0.882 113.488 114.554 -0.307 0.000 3.113 331 T HA -0.062 4.337 4.350 0.082 0.000 0.263 331 T C 1.109 175.581 174.700 -0.380 0.000 1.143 331 T CA 0.721 62.539 62.100 -0.470 0.000 1.090 331 T CB -0.109 68.284 68.868 -0.793 0.000 0.922 331 T HN 0.260 nan 8.240 nan 0.000 0.521 332 K N 1.856 122.102 120.400 -0.257 0.000 3.173 332 K HA 0.204 4.573 4.320 0.082 0.000 0.255 332 K C 0.524 177.042 176.600 -0.136 0.000 1.235 332 K CA -0.171 56.002 56.287 -0.190 0.000 1.250 332 K CB 0.294 32.703 32.500 -0.151 0.000 1.382 332 K HN 0.364 nan 8.250 nan 0.000 0.421 333 Q N 0.682 120.405 119.800 -0.129 0.000 2.665 333 Q HA 0.237 4.626 4.340 0.082 0.000 0.189 333 Q C -0.144 175.916 176.000 0.100 0.000 1.118 333 Q CA -0.112 55.698 55.803 0.012 0.000 0.849 333 Q CB 0.527 29.356 28.738 0.152 0.000 3.715 333 Q HN 0.179 nan 8.270 nan 0.000 0.439 334 D N -2.333 118.261 120.400 0.324 0.000 2.951 334 D HA -0.013 4.676 4.640 0.082 0.000 0.262 334 D C -0.413 176.040 176.300 0.254 0.000 1.110 334 D CA -0.105 54.091 54.000 0.328 0.000 0.724 334 D CB 0.555 41.434 40.800 0.131 0.000 1.516 334 D HN 0.353 nan 8.370 nan 0.000 0.447 335 E N 0.628 120.938 120.200 0.184 0.000 2.033 335 E HA -0.157 4.242 4.350 0.082 0.000 0.199 335 E C 0.777 177.365 176.600 -0.019 0.000 1.011 335 E CA 1.243 57.633 56.400 -0.016 0.000 0.815 335 E CB -0.223 29.477 29.700 -0.000 0.000 0.755 335 E HN 0.347 nan 8.360 nan 0.000 0.451 336 N N 1.755 120.465 118.700 0.016 0.000 2.549 336 N HA -0.031 4.758 4.740 0.082 0.000 0.267 336 N C -1.437 174.080 175.510 0.011 0.000 1.182 336 N CA 0.000 53.054 53.050 0.006 0.000 1.019 336 N CB 0.164 38.659 38.487 0.013 0.000 1.380 336 N HN 0.060 nan 8.380 nan 0.000 0.505 337 D N 1.516 121.916 120.400 -0.001 0.000 2.185 337 D HA 0.122 4.811 4.640 0.082 0.000 0.247 337 D C -1.423 174.873 176.300 -0.006 0.000 1.027 337 D CA -0.386 53.613 54.000 -0.001 0.000 0.861 337 D CB 1.361 42.158 40.800 -0.005 0.000 1.202 337 D HN 0.376 nan 8.370 nan 0.000 0.453 338 D N 2.162 122.560 120.400 -0.004 0.000 2.375 338 D HA 0.149 4.839 4.640 0.082 0.000 0.247 338 D C 0.254 176.554 176.300 -0.000 0.000 1.061 338 D CA -0.399 53.601 54.000 0.002 0.000 0.834 338 D CB 1.746 42.553 40.800 0.011 0.000 1.247 338 D HN 0.291 nan 8.370 nan 0.000 0.489 339 D N 1.539 121.938 120.400 -0.002 0.000 2.149 339 D HA -0.138 4.551 4.640 0.082 0.000 0.201 339 D C 0.865 177.180 176.300 0.024 0.000 0.972 339 D CA 0.708 54.705 54.000 -0.005 0.000 0.835 339 D CB 0.412 41.203 40.800 -0.016 0.000 0.966 339 D HN 0.504 nan 8.370 nan 0.000 0.476 340 D N 0.889 121.308 120.400 0.032 0.000 2.328 340 D HA -0.068 4.621 4.640 0.082 0.000 0.226 340 D C -0.474 175.876 176.300 0.083 0.000 1.066 340 D CA -0.045 53.986 54.000 0.051 0.000 0.861 340 D CB 0.099 40.918 40.800 0.032 0.000 0.912 340 D HN -0.005 nan 8.370 nan 0.000 0.521 341 D N 0.152 120.600 120.400 0.080 0.000 2.280 341 D HA -0.018 4.671 4.640 0.082 0.000 0.243 341 D C -0.752 175.640 176.300 0.153 0.000 1.129 341 D CA -0.447 53.610 54.000 0.095 0.000 0.848 341 D CB 0.381 41.206 40.800 0.042 0.000 1.107 341 D HN 0.072 nan 8.370 nan 0.000 0.471 342 W N 6.723 128.007 121.300 -0.027 0.000 2.228 342 W HA 0.186 4.898 4.660 0.086 0.000 0.364 342 W C -0.726 175.777 176.519 -0.026 0.000 0.917 342 W CA -0.751 56.577 57.345 -0.030 0.000 1.513 342 W CB -0.062 29.383 29.460 -0.026 0.000 1.494 342 W HN 0.436 nan 8.180 nan 0.000 0.346 343 N N 3.647 122.155 118.700 -0.321 0.000 2.530 343 N HA 0.469 5.259 4.740 0.082 0.000 0.283 343 N C -2.253 172.981 175.510 -0.459 0.000 1.238 343 N CA -1.666 51.207 53.050 -0.296 0.000 0.971 343 N CB 0.267 38.651 38.487 -0.171 0.000 1.195 343 N HN -0.074 nan 8.380 nan 0.000 0.583 344 P HA -0.150 nan 4.420 nan 0.000 0.216 344 P C 1.127 178.251 177.300 -0.293 0.000 1.150 344 P CA 0.939 63.880 63.100 -0.265 0.000 0.837 344 P CB -0.038 31.566 31.700 -0.161 0.000 0.786 345 C N -0.133 119.009 119.300 -0.262 0.000 2.413 345 C HA -0.169 4.341 4.460 0.082 0.000 0.278 345 C C 2.449 177.258 174.990 -0.302 0.000 1.224 345 C CA 1.535 60.410 59.018 -0.238 0.000 1.732 345 C CB -1.535 26.095 27.740 -0.184 0.000 2.050 345 C HN 0.071 nan 8.230 nan 0.000 0.463 346 K N 1.069 121.226 120.400 -0.403 0.000 2.063 346 K HA -0.007 4.362 4.320 0.082 0.000 0.208 346 K C 2.270 178.486 176.600 -0.640 0.000 1.048 346 K CA 1.777 57.770 56.287 -0.490 0.000 0.928 346 K CB -0.591 31.574 32.500 -0.558 0.000 0.713 346 K HN 0.598 nan 8.250 nan 0.000 0.442 347 A N 0.910 123.176 122.820 -0.924 0.000 1.902 347 A HA -0.106 4.263 4.320 0.082 0.000 0.217 347 A C 2.365 179.808 177.584 -0.236 0.000 1.181 347 A CA 1.954 53.575 52.037 -0.694 0.000 0.623 347 A CB -0.999 17.641 19.000 -0.600 0.000 0.818 347 A HN 0.305 nan 8.150 nan 0.000 0.443 348 A N -0.384 122.301 122.820 -0.224 0.000 1.908 348 A HA 0.074 4.443 4.320 0.082 0.000 0.218 348 A C 2.448 179.977 177.584 -0.091 0.000 1.181 348 A CA 2.082 54.044 52.037 -0.125 0.000 0.627 348 A CB -1.504 17.407 19.000 -0.148 0.000 0.818 348 A HN 0.770 nan 8.150 nan 0.000 0.445 349 G N -0.523 108.201 108.800 -0.128 0.000 2.491 349 G HA2 -0.184 3.825 3.960 0.082 0.000 0.218 349 G HA3 -0.184 3.825 3.960 0.082 0.000 0.218 349 G C 1.547 176.444 174.900 -0.005 0.000 1.180 349 G CA 1.387 46.441 45.100 -0.077 0.000 0.774 349 G HN 0.339 nan 8.290 nan 0.000 0.562 350 V N 0.122 120.041 119.914 0.008 0.000 2.295 350 V HA -0.226 3.943 4.120 0.082 0.000 0.246 350 V C 2.980 179.141 176.094 0.111 0.000 1.049 350 V CA 1.779 64.143 62.300 0.107 0.000 1.024 350 V CB -0.684 31.287 31.823 0.247 0.000 0.648 350 V HN 0.613 nan 8.190 nan 0.000 0.447 351 C N -0.352 119.007 119.300 0.099 0.000 2.413 351 C HA -0.175 4.334 4.460 0.082 0.000 0.276 351 C C 2.647 177.692 174.990 0.091 0.000 1.236 351 C CA 1.287 60.372 59.018 0.112 0.000 1.735 351 C CB -1.152 26.655 27.740 0.111 0.000 2.031 351 C HN 0.569 nan 8.230 nan 0.000 0.474 352 L N -0.032 121.227 121.223 0.059 0.000 2.042 352 L HA -0.232 4.158 4.340 0.082 0.000 0.210 352 L C 2.766 179.686 176.870 0.083 0.000 1.076 352 L CA 2.011 56.885 54.840 0.056 0.000 0.749 352 L CB -0.482 41.600 42.059 0.039 0.000 0.893 352 L HN 0.460 nan 8.230 nan 0.000 0.432 353 M N -0.912 118.748 119.600 0.100 0.000 2.117 353 M HA -0.231 4.298 4.480 0.082 0.000 0.262 353 M C 2.235 178.595 176.300 0.100 0.000 1.065 353 M CA 1.678 57.046 55.300 0.114 0.000 1.114 353 M CB -0.273 32.411 32.600 0.141 0.000 1.361 353 M HN 0.246 nan 8.290 nan 0.000 0.408 354 L N -0.247 121.037 121.223 0.102 0.000 2.141 354 L HA -0.186 4.203 4.340 0.082 0.000 0.209 354 L C 2.297 179.227 176.870 0.101 0.000 1.094 354 L CA 0.896 55.794 54.840 0.097 0.000 0.763 354 L CB -0.565 41.555 42.059 0.102 0.000 0.908 354 L HN 0.330 nan 8.230 nan 0.000 0.437 355 L N -0.359 120.926 121.223 0.104 0.000 2.093 355 L HA -0.161 4.228 4.340 0.082 0.000 0.208 355 L C 2.859 179.782 176.870 0.089 0.000 1.085 355 L CA 1.087 55.988 54.840 0.102 0.000 0.755 355 L CB -0.570 41.537 42.059 0.081 0.000 0.904 355 L HN 0.228 nan 8.230 nan 0.000 0.435 356 A N -0.129 122.740 122.820 0.082 0.000 1.933 356 A HA -0.202 4.167 4.320 0.082 0.000 0.218 356 A C 2.370 179.997 177.584 0.072 0.000 1.175 356 A CA 2.150 54.232 52.037 0.075 0.000 0.628 356 A CB -0.850 18.193 19.000 0.070 0.000 0.814 356 A HN 0.517 nan 8.150 nan 0.000 0.444 357 T N -4.382 110.216 114.554 0.073 0.000 3.043 357 T HA -0.085 4.314 4.350 0.082 0.000 0.263 357 T C 1.806 176.549 174.700 0.071 0.000 1.094 357 T CA 1.133 63.273 62.100 0.066 0.000 1.127 357 T CB -0.719 68.186 68.868 0.062 0.000 0.905 357 T HN 0.434 nan 8.240 nan 0.000 0.490 358 C N 0.189 119.540 119.300 0.085 0.000 2.519 358 C HA 0.286 4.796 4.460 0.082 0.000 0.281 358 C C 2.511 177.573 174.990 0.120 0.000 1.331 358 C CA 0.157 59.234 59.018 0.099 0.000 1.725 358 C CB -1.068 26.739 27.740 0.112 0.000 2.079 358 C HN 0.736 nan 8.230 nan 0.000 0.496 359 C N 0.708 120.076 119.300 0.113 0.000 3.038 359 C HA 0.298 4.808 4.460 0.082 0.000 0.279 359 C C 0.845 175.890 174.990 0.091 0.000 1.276 359 C CA -0.415 58.671 59.018 0.112 0.000 1.697 359 C CB -1.895 25.909 27.740 0.106 0.000 2.032 359 C HN 0.780 nan 8.230 nan 0.000 0.636 360 E N 1.144 121.392 120.200 0.080 0.000 3.562 360 E HA -0.309 4.090 4.350 0.082 0.000 0.277 360 E C 0.419 177.062 176.600 0.072 0.000 1.503 360 E CA 1.344 57.785 56.400 0.068 0.000 2.178 360 E CB -0.816 28.920 29.700 0.060 0.000 2.019 360 E HN 0.407 nan 8.360 nan 0.000 0.466 361 D N 0.807 121.244 120.400 0.062 0.000 2.242 361 D HA -0.238 4.451 4.640 0.082 0.000 0.190 361 D C 1.331 177.684 176.300 0.087 0.000 1.012 361 D CA 2.182 56.220 54.000 0.064 0.000 0.875 361 D CB -0.609 40.221 40.800 0.049 0.000 0.922 361 D HN 0.328 nan 8.370 nan 0.000 0.448 362 D N 0.448 120.905 120.400 0.094 0.000 2.311 362 D HA -0.177 4.512 4.640 0.082 0.000 0.204 362 D C 1.980 178.413 176.300 0.223 0.000 1.000 362 D CA 0.345 54.427 54.000 0.136 0.000 0.910 362 D CB -0.370 40.499 40.800 0.115 0.000 0.900 362 D HN 0.398 nan 8.370 nan 0.000 0.463 363 I N -0.330 120.343 120.570 0.172 0.000 2.852 363 I HA -0.158 4.062 4.170 0.082 0.000 0.264 363 I C 1.822 178.067 176.117 0.213 0.000 1.179 363 I CA 0.295 61.714 61.300 0.199 0.000 1.480 363 I CB 0.295 38.363 38.000 0.112 0.000 1.111 363 I HN -0.181 nan 8.210 nan 0.000 0.441 364 V N 3.242 123.246 119.914 0.149 0.000 2.252 364 V HA -0.191 3.978 4.120 0.082 0.000 0.249 364 V C -0.305 175.850 176.094 0.102 0.000 1.056 364 V CA 2.392 64.766 62.300 0.124 0.000 1.022 364 V CB -2.489 29.390 31.823 0.093 0.000 0.641 364 V HN 0.412 nan 8.190 nan 0.000 0.445 365 P HA -0.169 nan 4.420 nan 0.000 0.219 365 P C 1.070 178.302 177.300 -0.114 0.000 1.146 365 P CA 1.775 64.835 63.100 -0.067 0.000 0.808 365 P CB -0.163 31.441 31.700 -0.160 0.000 0.779 366 H N -1.115 117.984 119.070 0.049 0.000 2.436 366 H HA 0.016 4.617 4.556 0.074 0.000 0.294 366 H C 1.920 177.296 175.328 0.080 0.000 1.048 366 H CA 0.884 56.960 56.048 0.046 0.000 1.353 366 H CB -0.392 29.386 29.762 0.025 0.000 1.414 366 H HN -0.054 nan 8.280 nan 0.000 0.536 367 V N 0.074 120.117 119.914 0.215 0.000 2.685 367 V HA -0.080 4.089 4.120 0.082 0.000 0.244 367 V C 2.318 178.556 176.094 0.241 0.000 1.054 367 V CA 0.556 62.987 62.300 0.219 0.000 1.076 367 V CB -0.373 31.568 31.823 0.196 0.000 0.725 367 V HN 0.313 nan 8.190 nan 0.000 0.467 368 L N 0.202 121.534 121.223 0.182 0.000 2.021 368 L HA -0.198 4.191 4.340 0.082 0.000 0.215 368 L C 0.061 177.001 176.870 0.118 0.000 1.074 368 L CA 2.288 57.217 54.840 0.148 0.000 0.760 368 L CB -1.617 40.501 42.059 0.099 0.000 0.889 368 L HN 0.355 nan 8.230 nan 0.000 0.433 369 P HA -0.245 nan 4.420 nan 0.000 0.215 369 P C 1.548 178.910 177.300 0.104 0.000 1.157 369 P CA 1.465 64.610 63.100 0.076 0.000 0.874 369 P CB -0.107 31.637 31.700 0.075 0.000 0.790 370 F N 0.073 120.076 119.950 0.088 0.000 2.126 370 F HA -0.210 4.370 4.527 0.088 0.000 0.299 370 F C 2.005 177.909 175.800 0.173 0.000 1.096 370 F CA 1.528 59.627 58.000 0.165 0.000 1.255 370 F CB -0.786 38.319 39.000 0.175 0.000 0.997 370 F HN -0.215 nan 8.300 nan 0.000 0.479 371 I N 0.169 120.854 120.570 0.193 0.000 2.179 371 I HA -0.320 3.900 4.170 0.082 0.000 0.242 371 I C 2.371 178.443 176.117 -0.075 0.000 1.088 371 I CA 1.546 62.895 61.300 0.083 0.000 1.357 371 I CB -0.564 37.524 38.000 0.146 0.000 1.051 371 I HN 0.089 nan 8.210 nan 0.000 0.409 372 K N 0.710 121.061 120.400 -0.080 0.000 2.057 372 K HA -0.160 4.209 4.320 0.082 0.000 0.206 372 K C 1.978 178.466 176.600 -0.187 0.000 1.050 372 K CA 1.332 57.546 56.287 -0.122 0.000 0.935 372 K CB -0.145 32.300 32.500 -0.091 0.000 0.715 372 K HN 0.393 nan 8.250 nan 0.000 0.439 373 E N -0.194 119.847 120.200 -0.266 0.000 2.153 373 E HA -0.152 4.247 4.350 0.082 0.000 0.194 373 E C 1.479 177.687 176.600 -0.652 0.000 0.988 373 E CA 0.893 57.019 56.400 -0.458 0.000 0.811 373 E CB 0.059 29.426 29.700 -0.555 0.000 0.746 373 E HN 0.414 nan 8.360 nan 0.000 0.466 374 H N -1.003 117.875 119.070 -0.320 0.000 2.827 374 H HA 0.107 4.709 4.556 0.077 0.000 0.269 374 H C 1.707 176.949 175.328 -0.144 0.000 1.031 374 H CA -0.116 55.770 56.048 -0.270 0.000 1.202 374 H CB 0.481 29.997 29.762 -0.410 0.000 1.511 374 H HN 0.089 nan 8.280 nan 0.000 0.517 375 I N 1.075 121.611 120.570 -0.058 0.000 2.530 375 I HA -0.206 4.014 4.170 0.082 0.000 0.257 375 I C 1.389 177.497 176.117 -0.015 0.000 1.179 375 I CA 1.506 62.787 61.300 -0.032 0.000 1.440 375 I CB 0.189 38.137 38.000 -0.087 0.000 1.087 375 I HN -0.116 nan 8.210 nan 0.000 0.440 376 K N 0.061 120.442 120.400 -0.032 0.000 2.447 376 K HA 0.208 4.577 4.320 0.082 0.000 0.205 376 K C 0.076 176.673 176.600 -0.004 0.000 1.059 376 K CA -0.195 56.080 56.287 -0.019 0.000 1.065 376 K CB -0.409 32.065 32.500 -0.043 0.000 0.885 376 K HN 0.361 nan 8.250 nan 0.000 0.545 377 N N 2.236 120.945 118.700 0.015 0.000 2.447 377 N HA -0.028 4.762 4.740 0.082 0.000 0.263 377 N C -1.868 173.675 175.510 0.056 0.000 1.226 377 N CA -1.000 52.067 53.050 0.029 0.000 0.906 377 N CB 1.131 39.679 38.487 0.103 0.000 1.060 377 N HN -0.188 nan 8.380 nan 0.000 0.468 378 P HA -0.152 nan 4.420 nan 0.000 0.219 378 P C -0.508 176.850 177.300 0.097 0.000 1.146 378 P CA 0.984 64.119 63.100 0.059 0.000 0.808 378 P CB 0.096 31.816 31.700 0.034 0.000 0.779 379 D N -0.146 120.303 120.400 0.081 0.000 2.346 379 D HA -0.065 4.624 4.640 0.082 0.000 0.260 379 D C 1.232 177.583 176.300 0.085 0.000 1.252 379 D CA -0.415 53.625 54.000 0.067 0.000 0.895 379 D CB 0.195 41.037 40.800 0.069 0.000 1.097 379 D HN 0.221 nan 8.370 nan 0.000 0.489 380 W N 5.423 126.768 121.300 0.076 0.000 2.350 380 W HA -0.183 4.531 4.660 0.089 0.000 0.289 380 W C 1.150 177.700 176.519 0.051 0.000 1.215 380 W CA 0.032 57.412 57.345 0.058 0.000 1.236 380 W CB -0.613 28.868 29.460 0.036 0.000 1.130 380 W HN 0.370 nan 8.180 nan 0.000 0.541 381 R N -0.023 119.971 120.500 -0.844 0.000 2.073 381 R HA -0.190 4.199 4.340 0.082 0.000 0.234 381 R C 2.236 178.306 176.300 -0.384 0.000 1.134 381 R CA 2.292 57.865 56.100 -0.877 0.000 0.952 381 R CB -1.037 28.661 30.300 -1.003 0.000 0.850 381 R HN 0.194 nan 8.270 nan 0.000 0.433 382 Y N 0.066 120.226 120.300 -0.232 0.000 2.314 382 Y HA -0.047 4.546 4.550 0.072 0.000 0.293 382 Y C 2.574 178.448 175.900 -0.043 0.000 1.129 382 Y CA 0.968 58.962 58.100 -0.176 0.000 1.201 382 Y CB -0.092 38.197 38.460 -0.285 0.000 0.999 382 Y HN -0.030 nan 8.280 nan 0.000 0.541 383 R N 0.351 120.946 120.500 0.159 0.000 2.073 383 R HA -0.200 4.189 4.340 0.082 0.000 0.234 383 R C 1.793 178.191 176.300 0.162 0.000 1.134 383 R CA 2.058 58.249 56.100 0.153 0.000 0.952 383 R CB -0.393 30.003 30.300 0.161 0.000 0.850 383 R HN 0.352 nan 8.270 nan 0.000 0.433 384 D N -0.343 120.167 120.400 0.184 0.000 2.117 384 D HA -0.115 4.575 4.640 0.082 0.000 0.197 384 D C 1.728 178.130 176.300 0.170 0.000 0.987 384 D CA 1.500 55.618 54.000 0.197 0.000 0.829 384 D CB 0.000 40.961 40.800 0.268 0.000 0.961 384 D HN 0.321 nan 8.370 nan 0.000 0.460 385 A N 0.525 123.421 122.820 0.127 0.000 1.908 385 A HA -0.044 4.325 4.320 0.082 0.000 0.218 385 A C 2.384 180.189 177.584 0.367 0.000 1.181 385 A CA 2.299 54.443 52.037 0.178 0.000 0.627 385 A CB -1.171 17.908 19.000 0.133 0.000 0.818 385 A HN 0.351 nan 8.150 nan 0.000 0.445 386 A N -0.530 122.505 122.820 0.359 0.000 1.877 386 A HA -0.007 4.362 4.320 0.082 0.000 0.216 386 A C 2.229 179.992 177.584 0.299 0.000 1.186 386 A CA 1.893 54.131 52.037 0.334 0.000 0.620 386 A CB -0.993 18.078 19.000 0.120 0.000 0.822 386 A HN 0.479 nan 8.150 nan 0.000 0.443 387 V N -0.589 119.474 119.914 0.248 0.000 2.343 387 V HA -0.288 3.882 4.120 0.082 0.000 0.247 387 V C 2.550 178.869 176.094 0.374 0.000 1.051 387 V CA 2.289 64.760 62.300 0.285 0.000 1.036 387 V CB -0.819 31.145 31.823 0.236 0.000 0.654 387 V HN 0.642 nan 8.190 nan 0.000 0.451 388 M N 1.341 121.133 119.600 0.321 0.000 2.086 388 M HA -0.090 4.440 4.480 0.082 0.000 0.261 388 M C 2.099 178.604 176.300 0.342 0.000 1.067 388 M CA 2.247 57.743 55.300 0.326 0.000 1.116 388 M CB -0.822 31.878 32.600 0.165 0.000 1.348 388 M HN 0.251 nan 8.290 nan 0.000 0.407 389 A N -0.501 122.499 122.820 0.300 0.000 1.908 389 A HA -0.181 4.188 4.320 0.082 0.000 0.218 389 A C 2.126 179.905 177.584 0.325 0.000 1.181 389 A CA 1.848 54.047 52.037 0.270 0.000 0.627 389 A CB -1.388 17.790 19.000 0.295 0.000 0.818 389 A HN 0.626 nan 8.150 nan 0.000 0.445 390 F N 1.202 121.267 119.950 0.191 0.000 2.069 390 F HA -0.087 4.487 4.527 0.078 0.000 0.298 390 F C 2.383 178.252 175.800 0.114 0.000 1.113 390 F CA 1.519 59.601 58.000 0.136 0.000 1.214 390 F CB -0.957 38.110 39.000 0.112 0.000 0.978 390 F HN 0.196 nan 8.300 nan 0.000 0.474 391 G N -0.975 107.915 108.800 0.150 0.000 2.432 391 G HA2 -0.270 3.739 3.960 0.082 0.000 0.219 391 G HA3 -0.270 3.739 3.960 0.082 0.000 0.219 391 G C 1.696 176.612 174.900 0.027 0.000 1.135 391 G CA 1.074 46.129 45.100 -0.075 0.000 0.767 391 G HN 0.517 nan 8.290 nan 0.000 0.550 392 C N 0.634 120.099 119.300 0.275 0.000 2.437 392 C HA 0.135 4.644 4.460 0.082 0.000 0.283 392 C C 2.253 177.315 174.990 0.120 0.000 1.424 392 C CA 0.575 59.748 59.018 0.259 0.000 1.782 392 C CB -1.040 26.834 27.740 0.223 0.000 1.833 392 C HN 0.659 nan 8.230 nan 0.000 0.532 393 I N -3.149 117.450 120.570 0.048 0.000 3.974 393 I HA 0.237 4.456 4.170 0.082 0.000 0.334 393 I C 1.253 177.340 176.117 -0.051 0.000 1.437 393 I CA 0.299 61.614 61.300 0.025 0.000 1.113 393 I CB -0.410 37.627 38.000 0.062 0.000 1.063 393 I HN 0.078 nan 8.210 nan 0.000 0.400 394 L N 1.241 122.385 121.223 -0.132 0.000 2.465 394 L HA 0.141 4.530 4.340 0.082 0.000 0.224 394 L C 0.966 177.783 176.870 -0.088 0.000 1.145 394 L CA 0.919 55.649 54.840 -0.183 0.000 0.834 394 L CB -0.138 41.747 42.059 -0.290 0.000 0.944 394 L HN 0.445 nan 8.230 nan 0.000 0.451 395 E N -0.310 119.869 120.200 -0.035 0.000 2.114 395 E HA 0.432 4.831 4.350 0.082 0.000 0.266 395 E C 0.331 176.945 176.600 0.023 0.000 0.896 395 E CA 0.359 56.760 56.400 0.001 0.000 0.750 395 E CB 1.070 30.785 29.700 0.026 0.000 1.121 395 E HN 0.162 nan 8.360 nan 0.000 0.413 396 G N 4.864 113.677 108.800 0.023 0.000 3.826 396 G HA2 -0.128 3.881 3.960 0.082 0.000 0.194 396 G HA3 -0.128 3.881 3.960 0.082 0.000 0.194 396 G C -2.331 172.590 174.900 0.034 0.000 2.087 396 G CA -0.473 44.649 45.100 0.037 0.000 1.230 396 G HN 0.535 nan 8.290 nan 0.000 0.393 397 P HA 0.358 nan 4.420 nan 0.000 0.270 397 P C -0.296 177.017 177.300 0.022 0.000 1.223 397 P CA 0.148 63.267 63.100 0.032 0.000 0.785 397 P CB 0.382 32.102 31.700 0.034 0.000 0.923 398 E N 3.212 123.427 120.200 0.024 0.000 2.366 398 E HA -0.022 4.377 4.350 0.082 0.000 0.266 398 E C -1.540 175.068 176.600 0.014 0.000 1.015 398 E CA -1.116 55.295 56.400 0.018 0.000 0.906 398 E CB -0.060 29.652 29.700 0.020 0.000 0.979 398 E HN 0.355 nan 8.360 nan 0.000 0.443 399 P HA -0.298 nan 4.420 nan 0.000 0.215 399 P C 1.591 178.897 177.300 0.010 0.000 1.163 399 P CA 1.818 64.920 63.100 0.004 0.000 0.894 399 P CB 0.091 31.792 31.700 0.001 0.000 0.791 400 S N -0.810 114.897 115.700 0.013 0.000 2.380 400 S HA -0.303 4.216 4.470 0.082 0.000 0.229 400 S C 2.146 176.758 174.600 0.020 0.000 1.043 400 S CA 1.472 59.682 58.200 0.015 0.000 1.038 400 S CB -1.394 61.815 63.200 0.014 0.000 0.872 400 S HN 0.125 nan 8.310 nan 0.000 0.456 401 Q N 0.944 120.756 119.800 0.021 0.000 2.123 401 Q HA 0.117 4.506 4.340 0.082 0.000 0.199 401 Q C 2.185 178.205 176.000 0.034 0.000 0.966 401 Q CA 1.210 57.029 55.803 0.027 0.000 0.845 401 Q CB -0.233 28.522 28.738 0.028 0.000 0.907 401 Q HN 0.701 nan 8.270 nan 0.000 0.439 402 L N 0.231 121.472 121.223 0.029 0.000 2.341 402 L HA -0.075 4.314 4.340 0.082 0.000 0.214 402 L C 2.343 179.238 176.870 0.041 0.000 1.115 402 L CA 0.389 55.250 54.840 0.035 0.000 0.820 402 L CB -0.156 41.906 42.059 0.005 0.000 0.944 402 L HN 0.076 nan 8.230 nan 0.000 0.452 403 K N 0.668 121.087 120.400 0.031 0.000 2.000 403 K HA -0.208 4.161 4.320 0.082 0.000 0.218 403 K C -0.425 176.207 176.600 0.053 0.000 1.053 403 K CA 2.048 58.356 56.287 0.036 0.000 0.946 403 K CB -1.466 31.052 32.500 0.030 0.000 0.723 403 K HN 0.276 nan 8.250 nan 0.000 0.446 404 P HA -0.190 nan 4.420 nan 0.000 0.216 404 P C 1.498 178.838 177.300 0.066 0.000 1.150 404 P CA 1.559 64.692 63.100 0.055 0.000 0.843 404 P CB -0.092 31.633 31.700 0.043 0.000 0.787 405 L N -0.699 120.573 121.223 0.082 0.000 1.994 405 L HA -0.132 4.257 4.340 0.082 0.000 0.208 405 L C 2.829 179.796 176.870 0.162 0.000 1.071 405 L CA 1.437 56.347 54.840 0.117 0.000 0.745 405 L CB -1.325 40.831 42.059 0.163 0.000 0.892 405 L HN -0.160 nan 8.230 nan 0.000 0.431 406 V N 0.008 120.036 119.914 0.191 0.000 2.343 406 V HA -0.280 3.889 4.120 0.082 0.000 0.247 406 V C 2.499 178.646 176.094 0.089 0.000 1.051 406 V CA 1.355 63.789 62.300 0.222 0.000 1.036 406 V CB -0.449 31.438 31.823 0.106 0.000 0.654 406 V HN 0.280 nan 8.190 nan 0.000 0.451 407 I N 0.148 120.760 120.570 0.070 0.000 2.151 407 I HA -0.306 3.913 4.170 0.082 0.000 0.243 407 I C 2.549 178.685 176.117 0.031 0.000 1.080 407 I CA 1.876 63.219 61.300 0.072 0.000 1.339 407 I CB -1.283 36.786 38.000 0.114 0.000 1.039 407 I HN 0.453 nan 8.210 nan 0.000 0.409 408 Q N -0.083 119.737 119.800 0.033 0.000 2.369 408 Q HA 0.012 4.401 4.340 0.082 0.000 0.206 408 Q C 2.149 178.113 176.000 -0.060 0.000 0.963 408 Q CA 1.177 56.984 55.803 0.006 0.000 0.894 408 Q CB -0.048 28.697 28.738 0.013 0.000 0.965 408 Q HN 0.541 nan 8.270 nan 0.000 0.475 409 A N 0.012 122.783 122.820 -0.082 0.000 2.132 409 A HA -0.020 4.349 4.320 0.082 0.000 0.213 409 A C 1.834 179.314 177.584 -0.173 0.000 1.154 409 A CA 0.242 52.182 52.037 -0.162 0.000 0.753 409 A CB -0.063 18.771 19.000 -0.277 0.000 0.826 409 A HN 0.194 nan 8.150 nan 0.000 0.469 410 M N -0.028 119.425 119.600 -0.246 0.000 2.108 410 M HA -0.146 4.383 4.480 0.082 0.000 0.257 410 M C -0.465 175.632 176.300 -0.338 0.000 1.071 410 M CA 1.872 56.918 55.300 -0.424 0.000 1.093 410 M CB -2.350 29.619 32.600 -1.051 0.000 1.345 410 M HN 0.142 nan 8.290 nan 0.000 0.403 411 P HA -0.095 nan 4.420 nan 0.000 0.215 411 P C 1.533 178.787 177.300 -0.077 0.000 1.153 411 P CA 1.494 64.534 63.100 -0.101 0.000 0.853 411 P CB -0.232 31.451 31.700 -0.028 0.000 0.788 412 T N -0.347 114.152 114.554 -0.092 0.000 2.777 412 T HA -0.097 4.302 4.350 0.082 0.000 0.266 412 T C 1.654 176.319 174.700 -0.059 0.000 1.040 412 T CA 0.772 62.827 62.100 -0.074 0.000 1.141 412 T CB -0.869 67.937 68.868 -0.103 0.000 0.868 412 T HN -0.031 nan 8.240 nan 0.000 0.444 413 L N 1.089 122.269 121.223 -0.072 0.000 2.083 413 L HA 0.060 4.449 4.340 0.082 0.000 0.209 413 L C 2.092 178.948 176.870 -0.024 0.000 1.083 413 L CA 1.426 56.249 54.840 -0.028 0.000 0.752 413 L CB -0.643 41.409 42.059 -0.012 0.000 0.899 413 L HN 0.287 nan 8.230 nan 0.000 0.433 414 I N -0.755 119.785 120.570 -0.049 0.000 2.179 414 I HA -0.300 3.920 4.170 0.082 0.000 0.242 414 I C 2.327 178.438 176.117 -0.010 0.000 1.088 414 I CA 1.433 62.715 61.300 -0.030 0.000 1.357 414 I CB -0.359 37.624 38.000 -0.028 0.000 1.051 414 I HN 0.326 nan 8.210 nan 0.000 0.409 415 E N 0.930 121.123 120.200 -0.011 0.000 2.085 415 E HA -0.216 4.183 4.350 0.082 0.000 0.194 415 E C 2.308 178.913 176.600 0.009 0.000 0.994 415 E CA 1.148 57.548 56.400 0.000 0.000 0.801 415 E CB -0.194 29.504 29.700 -0.004 0.000 0.743 415 E HN 0.453 nan 8.360 nan 0.000 0.453 416 L N 0.469 121.698 121.223 0.011 0.000 2.079 416 L HA -0.219 4.170 4.340 0.082 0.000 0.210 416 L C 2.493 179.385 176.870 0.035 0.000 1.081 416 L CA 0.689 55.548 54.840 0.031 0.000 0.752 416 L CB -0.406 41.679 42.059 0.044 0.000 0.896 416 L HN 0.261 nan 8.230 nan 0.000 0.433 417 M N -0.338 119.276 119.600 0.025 0.000 2.267 417 M HA -0.195 4.334 4.480 0.082 0.000 0.263 417 M C 1.528 177.839 176.300 0.020 0.000 1.063 417 M CA 1.672 56.986 55.300 0.023 0.000 1.090 417 M CB -0.766 31.837 32.600 0.005 0.000 1.392 417 M HN 0.218 nan 8.290 nan 0.000 0.422 418 K N -0.007 120.403 120.400 0.017 0.000 2.440 418 K HA 0.086 4.455 4.320 0.082 0.000 0.206 418 K C 0.155 176.765 176.600 0.017 0.000 1.025 418 K CA -0.219 56.077 56.287 0.015 0.000 1.135 418 K CB 0.414 32.921 32.500 0.012 0.000 0.856 418 K HN 0.193 nan 8.250 nan 0.000 0.502 419 D N 2.101 122.515 120.400 0.024 0.000 2.414 419 D HA -0.002 4.687 4.640 0.082 0.000 0.242 419 D C -1.351 174.959 176.300 0.017 0.000 1.129 419 D CA -1.502 52.516 54.000 0.029 0.000 0.885 419 D CB 1.425 42.253 40.800 0.047 0.000 1.198 419 D HN -0.028 nan 8.370 nan 0.000 0.437 420 P HA -0.105 nan 4.420 nan 0.000 0.216 420 P C 0.635 177.916 177.300 -0.032 0.000 1.153 420 P CA 0.435 63.533 63.100 -0.003 0.000 0.848 420 P CB 0.062 31.765 31.700 0.006 0.000 0.787 421 S N -0.210 115.470 115.700 -0.033 0.000 2.525 421 S HA 0.083 4.602 4.470 0.082 0.000 0.285 421 S C 1.421 175.960 174.600 -0.102 0.000 1.283 421 S CA -0.551 57.579 58.200 -0.116 0.000 1.072 421 S CB 0.107 63.251 63.200 -0.093 0.000 0.867 421 S HN -0.132 nan 8.310 nan 0.000 0.492 422 V N 6.279 126.100 119.914 -0.155 0.000 2.490 422 V HA -0.111 4.058 4.120 0.082 0.000 0.250 422 V C 2.331 178.371 176.094 -0.090 0.000 1.061 422 V CA 1.602 63.839 62.300 -0.106 0.000 1.064 422 V CB -0.943 30.808 31.823 -0.120 0.000 0.670 422 V HN 0.810 nan 8.190 nan 0.000 0.461 423 V N 0.037 119.856 119.914 -0.158 0.000 2.307 423 V HA -0.205 3.964 4.120 0.082 0.000 0.245 423 V C 2.489 178.613 176.094 0.049 0.000 1.045 423 V CA 1.932 64.191 62.300 -0.069 0.000 1.024 423 V CB -0.386 31.370 31.823 -0.112 0.000 0.651 423 V HN 0.427 nan 8.190 nan 0.000 0.449 424 V N 0.253 120.213 119.914 0.076 0.000 2.295 424 V HA -0.269 3.900 4.120 0.082 0.000 0.246 424 V C 2.575 178.729 176.094 0.100 0.000 1.049 424 V CA 2.156 64.530 62.300 0.123 0.000 1.024 424 V CB -0.874 31.024 31.823 0.125 0.000 0.648 424 V HN 0.491 nan 8.190 nan 0.000 0.447 425 R N 0.065 120.602 120.500 0.062 0.000 2.096 425 R HA -0.170 4.219 4.340 0.082 0.000 0.235 425 R C 2.176 178.527 176.300 0.085 0.000 1.127 425 R CA 1.534 57.672 56.100 0.063 0.000 0.968 425 R CB -0.664 29.657 30.300 0.035 0.000 0.861 425 R HN 0.585 nan 8.270 nan 0.000 0.440 426 D N 0.556 120.999 120.400 0.070 0.000 2.092 426 D HA -0.140 4.550 4.640 0.082 0.000 0.193 426 D C 1.371 177.761 176.300 0.150 0.000 0.994 426 D CA 1.742 55.792 54.000 0.083 0.000 0.828 426 D CB 0.032 40.853 40.800 0.034 0.000 0.963 426 D HN 0.089 nan 8.370 nan 0.000 0.450 427 T N 0.466 115.115 114.554 0.159 0.000 2.821 427 T HA 0.004 4.403 4.350 0.082 0.000 0.267 427 T C 2.023 176.922 174.700 0.332 0.000 1.046 427 T CA 1.500 63.754 62.100 0.256 0.000 1.139 427 T CB -0.383 68.613 68.868 0.215 0.000 0.871 427 T HN 0.288 nan 8.240 nan 0.000 0.454 428 A N 1.720 124.674 122.820 0.223 0.000 1.877 428 A HA 0.114 4.483 4.320 0.082 0.000 0.216 428 A C 2.682 180.371 177.584 0.175 0.000 1.186 428 A CA 1.879 54.026 52.037 0.182 0.000 0.620 428 A CB -1.212 17.858 19.000 0.116 0.000 0.822 428 A HN 0.505 nan 8.150 nan 0.000 0.443 429 A N -1.690 121.237 122.820 0.178 0.000 1.940 429 A HA -0.187 4.182 4.320 0.082 0.000 0.219 429 A C 1.982 179.736 177.584 0.284 0.000 1.176 429 A CA 1.692 53.833 52.037 0.173 0.000 0.631 429 A CB -0.872 18.226 19.000 0.164 0.000 0.814 429 A HN 0.903 nan 8.150 nan 0.000 0.446 430 W N 1.053 122.460 121.300 0.178 0.000 2.381 430 W HA -0.104 4.603 4.660 0.079 0.000 0.301 430 W C 2.077 178.772 176.519 0.293 0.000 1.205 430 W CA 2.164 59.670 57.345 0.269 0.000 1.285 430 W CB -0.565 28.963 29.460 0.114 0.000 1.133 430 W HN 0.242 nan 8.180 nan 0.000 0.521 431 T N 0.511 115.104 114.554 0.066 0.000 2.867 431 T HA -0.175 4.224 4.350 0.082 0.000 0.268 431 T C 1.859 176.463 174.700 -0.160 0.000 1.057 431 T CA 1.760 63.741 62.100 -0.199 0.000 1.136 431 T CB -0.633 68.279 68.868 0.074 0.000 0.874 431 T HN -0.005 nan 8.240 nan 0.000 0.466 432 V N 1.530 121.415 119.914 -0.048 0.000 2.295 432 V HA -0.110 4.059 4.120 0.082 0.000 0.246 432 V C 2.875 178.869 176.094 -0.167 0.000 1.049 432 V CA 2.000 64.248 62.300 -0.086 0.000 1.024 432 V CB -1.391 30.392 31.823 -0.068 0.000 0.648 432 V HN 0.572 nan 8.190 nan 0.000 0.447 433 G N -0.147 108.555 108.800 -0.163 0.000 2.421 433 G HA2 -0.228 3.781 3.960 0.082 0.000 0.216 433 G HA3 -0.228 3.781 3.960 0.082 0.000 0.216 433 G C 1.716 176.364 174.900 -0.420 0.000 1.171 433 G CA 0.502 45.349 45.100 -0.423 0.000 0.775 433 G HN 0.324 nan 8.290 nan 0.000 0.543 434 R N 0.108 120.446 120.500 -0.271 0.000 2.091 434 R HA -0.002 4.387 4.340 0.082 0.000 0.238 434 R C 2.592 178.753 176.300 -0.230 0.000 1.136 434 R CA 0.935 56.880 56.100 -0.259 0.000 0.959 434 R CB -0.684 29.294 30.300 -0.536 0.000 0.856 434 R HN 0.445 nan 8.270 nan 0.000 0.437 435 I N 0.022 120.453 120.570 -0.232 0.000 2.286 435 I HA -0.310 3.909 4.170 0.082 0.000 0.248 435 I C 2.374 178.406 176.117 -0.142 0.000 1.115 435 I CA 0.992 62.187 61.300 -0.174 0.000 1.392 435 I CB -0.298 37.619 38.000 -0.138 0.000 1.065 435 I HN 0.147 nan 8.210 nan 0.000 0.418 436 C N 0.213 119.411 119.300 -0.171 0.000 2.422 436 C HA -0.154 4.355 4.460 0.082 0.000 0.279 436 C C 2.693 177.604 174.990 -0.132 0.000 1.305 436 C CA 0.948 59.874 59.018 -0.153 0.000 1.757 436 C CB -0.998 26.619 27.740 -0.206 0.000 1.962 436 C HN 0.520 nan 8.230 nan 0.000 0.499 437 E N -0.148 119.962 120.200 -0.150 0.000 2.250 437 E HA 0.015 4.414 4.350 0.082 0.000 0.192 437 E C 1.785 178.352 176.600 -0.055 0.000 0.986 437 E CA 0.626 56.970 56.400 -0.094 0.000 0.849 437 E CB 0.166 29.818 29.700 -0.079 0.000 0.797 437 E HN 0.617 nan 8.360 nan 0.000 0.482 438 L N -0.342 120.837 121.223 -0.072 0.000 2.445 438 L HA 0.204 4.593 4.340 0.082 0.000 0.207 438 L C 0.937 177.776 176.870 -0.052 0.000 1.053 438 L CA 0.239 55.045 54.840 -0.056 0.000 0.841 438 L CB 0.573 42.587 42.059 -0.074 0.000 1.074 438 L HN -0.011 nan 8.230 nan 0.000 0.479 439 L N 1.276 122.460 121.223 -0.065 0.000 2.678 439 L HA 0.247 4.636 4.340 0.082 0.000 0.250 439 L C -1.560 175.287 176.870 -0.038 0.000 1.455 439 L CA -1.001 53.812 54.840 -0.045 0.000 0.823 439 L CB 0.975 43.005 42.059 -0.049 0.000 1.107 439 L HN -0.134 nan 8.230 nan 0.000 0.514 440 P HA -0.250 nan 4.420 nan 0.000 0.216 440 P C 0.976 178.271 177.300 -0.008 0.000 1.157 440 P CA 1.582 64.664 63.100 -0.029 0.000 0.880 440 P CB 0.458 32.145 31.700 -0.021 0.000 0.791 441 E N 0.107 120.309 120.200 0.002 0.000 2.147 441 E HA -0.203 4.196 4.350 0.082 0.000 0.199 441 E C 2.210 178.833 176.600 0.039 0.000 1.005 441 E CA 1.468 57.879 56.400 0.018 0.000 0.810 441 E CB -0.613 29.097 29.700 0.018 0.000 0.736 441 E HN 0.282 nan 8.360 nan 0.000 0.460 442 A N 0.653 123.495 122.820 0.037 0.000 2.067 442 A HA 0.024 4.393 4.320 0.082 0.000 0.219 442 A C 2.151 179.790 177.584 0.091 0.000 1.158 442 A CA 1.560 53.637 52.037 0.067 0.000 0.661 442 A CB -0.183 18.835 19.000 0.030 0.000 0.801 442 A HN 0.303 nan 8.150 nan 0.000 0.452 443 A N -0.478 122.368 122.820 0.043 0.000 1.938 443 A HA 0.374 4.743 4.320 0.082 0.000 0.207 443 A C 1.040 178.650 177.584 0.043 0.000 1.292 443 A CA 0.176 52.236 52.037 0.039 0.000 0.700 443 A CB -0.137 18.846 19.000 -0.028 0.000 0.947 443 A HN 0.317 nan 8.150 nan 0.000 0.476 444 I N 2.811 123.389 120.570 0.014 0.000 2.553 444 I HA 0.030 4.249 4.170 0.082 0.000 0.295 444 I C -0.187 175.939 176.117 0.015 0.000 1.128 444 I CA -0.117 61.186 61.300 0.004 0.000 2.128 444 I CB -1.473 36.523 38.000 -0.006 0.000 1.543 444 I HN 0.534 nan 8.210 nan 0.000 0.970 445 N N 0.511 119.225 118.700 0.023 0.000 2.509 445 N HA 0.259 5.049 4.740 0.082 0.000 0.280 445 N C -0.376 175.115 175.510 -0.032 0.000 1.306 445 N CA -0.901 52.150 53.050 0.001 0.000 0.782 445 N CB 0.990 39.486 38.487 0.016 0.000 1.493 445 N HN -0.040 nan 8.380 nan 0.000 0.498 446 D N -0.002 120.362 120.400 -0.059 0.000 2.413 446 D HA 0.132 4.821 4.640 0.082 0.000 0.237 446 D C 0.257 176.483 176.300 -0.124 0.000 1.171 446 D CA 0.337 54.296 54.000 -0.069 0.000 0.839 446 D CB 0.299 41.068 40.800 -0.051 0.000 0.950 446 D HN 0.326 nan 8.370 nan 0.000 0.499 447 V N -0.810 118.980 119.914 -0.207 0.000 3.193 447 V HA -0.034 4.135 4.120 0.082 0.000 0.237 447 V C 0.785 176.658 176.094 -0.368 0.000 1.447 447 V CA 0.084 62.164 62.300 -0.366 0.000 1.227 447 V CB 0.274 31.721 31.823 -0.628 0.000 1.040 447 V HN 0.046 nan 8.190 nan 0.000 0.458 448 Y N -0.522 119.770 120.300 -0.014 0.000 2.498 448 Y HA 0.327 4.927 4.550 0.083 0.000 0.259 448 Y C 1.844 177.725 175.900 -0.030 0.000 1.086 448 Y CA -0.221 57.867 58.100 -0.019 0.000 1.287 448 Y CB 0.005 38.454 38.460 -0.017 0.000 1.146 448 Y HN 0.102 nan 8.280 nan 0.000 0.523 449 L N -0.194 121.081 121.223 0.088 0.000 2.127 449 L HA -0.222 4.167 4.340 0.082 0.000 0.211 449 L C 2.257 179.137 176.870 0.016 0.000 1.089 449 L CA 1.624 56.483 54.840 0.032 0.000 0.757 449 L CB -0.189 41.873 42.059 0.005 0.000 0.899 449 L HN 0.234 nan 8.230 nan 0.000 0.434 450 A N 0.472 123.304 122.820 0.019 0.000 1.855 450 A HA 0.013 4.382 4.320 0.082 0.000 0.213 450 A C -0.124 177.474 177.584 0.023 0.000 1.195 450 A CA 1.020 53.067 52.037 0.016 0.000 0.610 450 A CB -1.775 17.230 19.000 0.009 0.000 0.837 450 A HN 0.421 nan 8.150 nan 0.000 0.444 451 P HA -0.113 nan 4.420 nan 0.000 0.220 451 P C 1.493 178.804 177.300 0.018 0.000 1.148 451 P CA 0.757 63.883 63.100 0.043 0.000 0.803 451 P CB -0.045 31.705 31.700 0.082 0.000 0.782 452 L N -0.226 121.005 121.223 0.014 0.000 1.976 452 L HA -0.099 4.290 4.340 0.082 0.000 0.209 452 L C 2.820 179.628 176.870 -0.104 0.000 1.071 452 L CA 1.634 56.446 54.840 -0.046 0.000 0.746 452 L CB -1.660 40.371 42.059 -0.046 0.000 0.890 452 L HN -0.158 nan 8.230 nan 0.000 0.432 453 L N -1.088 120.087 121.223 -0.081 0.000 2.081 453 L HA -0.290 4.099 4.340 0.082 0.000 0.212 453 L C 2.602 179.462 176.870 -0.016 0.000 1.080 453 L CA 1.458 56.255 54.840 -0.072 0.000 0.754 453 L CB -0.477 41.599 42.059 0.029 0.000 0.893 453 L HN 0.408 nan 8.230 nan 0.000 0.433 454 Q N -0.470 119.330 119.800 0.001 0.000 2.050 454 Q HA -0.203 4.186 4.340 0.082 0.000 0.202 454 Q C 2.288 178.292 176.000 0.005 0.000 0.980 454 Q CA 2.344 58.158 55.803 0.018 0.000 0.840 454 Q CB -0.493 28.256 28.738 0.018 0.000 0.898 454 Q HN 0.512 nan 8.270 nan 0.000 0.424 455 C N -0.379 118.907 119.300 -0.023 0.000 2.457 455 C HA 0.047 4.557 4.460 0.082 0.000 0.278 455 C C 2.553 177.513 174.990 -0.050 0.000 1.309 455 C CA 0.308 59.310 59.018 -0.027 0.000 1.735 455 C CB -1.095 26.627 27.740 -0.032 0.000 1.992 455 C HN 0.553 nan 8.230 nan 0.000 0.493 456 L N 0.443 121.583 121.223 -0.140 0.000 1.994 456 L HA -0.169 4.220 4.340 0.082 0.000 0.208 456 L C 2.413 179.293 176.870 0.015 0.000 1.071 456 L CA 1.649 56.340 54.840 -0.249 0.000 0.745 456 L CB -0.583 40.979 42.059 -0.829 0.000 0.892 456 L HN 0.296 nan 8.230 nan 0.000 0.431 457 I N -0.186 120.468 120.570 0.141 0.000 2.151 457 I HA -0.329 3.890 4.170 0.082 0.000 0.243 457 I C 2.528 178.718 176.117 0.122 0.000 1.080 457 I CA 1.531 62.981 61.300 0.249 0.000 1.339 457 I CB -0.260 37.852 38.000 0.187 0.000 1.039 457 I HN 0.268 nan 8.210 nan 0.000 0.409 458 E N 0.307 120.547 120.200 0.067 0.000 2.153 458 E HA -0.189 4.211 4.350 0.082 0.000 0.194 458 E C 2.272 178.897 176.600 0.042 0.000 0.988 458 E CA 1.036 57.462 56.400 0.043 0.000 0.811 458 E CB -0.304 29.412 29.700 0.027 0.000 0.746 458 E HN 0.633 nan 8.360 nan 0.000 0.466 459 G N 1.092 109.918 108.800 0.044 0.000 2.432 459 G HA2 -0.232 3.777 3.960 0.082 0.000 0.219 459 G HA3 -0.232 3.777 3.960 0.082 0.000 0.219 459 G C 1.490 176.424 174.900 0.058 0.000 1.135 459 G CA 0.304 45.429 45.100 0.042 0.000 0.767 459 G HN 0.144 nan 8.290 nan 0.000 0.550 460 L N 0.970 122.244 121.223 0.084 0.000 2.349 460 L HA -0.070 4.320 4.340 0.082 0.000 0.220 460 L C 2.534 179.426 176.870 0.036 0.000 1.130 460 L CA 0.903 55.785 54.840 0.070 0.000 0.791 460 L CB -0.081 42.024 42.059 0.076 0.000 0.918 460 L HN 0.159 nan 8.230 nan 0.000 0.444 461 S N -0.918 114.802 115.700 0.034 0.000 2.517 461 S HA 0.268 4.788 4.470 0.082 0.000 0.214 461 S C 1.095 175.708 174.600 0.021 0.000 0.991 461 S CA 0.114 58.328 58.200 0.023 0.000 0.906 461 S CB 0.188 63.400 63.200 0.021 0.000 0.789 461 S HN 0.385 nan 8.310 nan 0.000 0.513 462 A N 1.711 124.545 122.820 0.023 0.000 2.325 462 A HA 0.376 4.745 4.320 0.082 0.000 0.260 462 A C 0.228 177.820 177.584 0.015 0.000 1.133 462 A CA -0.383 51.665 52.037 0.017 0.000 0.801 462 A CB -0.020 18.992 19.000 0.019 0.000 1.092 462 A HN 0.305 nan 8.150 nan 0.000 0.504 463 E N 0.341 120.546 120.200 0.008 0.000 2.436 463 E HA 0.151 4.551 4.350 0.082 0.000 0.262 463 E C -1.869 174.735 176.600 0.006 0.000 1.063 463 E CA -0.677 55.727 56.400 0.006 0.000 0.944 463 E CB -0.234 29.462 29.700 -0.006 0.000 0.950 463 E HN 0.342 nan 8.360 nan 0.000 0.444 464 P HA -0.260 nan 4.420 nan 0.000 0.216 464 P C 1.152 178.446 177.300 -0.010 0.000 1.157 464 P CA 1.521 64.612 63.100 -0.016 0.000 0.880 464 P CB 0.139 31.833 31.700 -0.008 0.000 0.791 465 R N -0.286 120.211 120.500 -0.004 0.000 2.117 465 R HA -0.141 4.249 4.340 0.082 0.000 0.243 465 R C 1.634 177.944 176.300 0.015 0.000 1.143 465 R CA 1.708 57.806 56.100 -0.003 0.000 0.968 465 R CB -0.566 29.726 30.300 -0.014 0.000 0.863 465 R HN 0.093 nan 8.270 nan 0.000 0.444 466 V N -0.027 119.900 119.914 0.021 0.000 2.492 466 V HA 0.026 4.195 4.120 0.082 0.000 0.241 466 V C 2.380 178.509 176.094 0.058 0.000 1.041 466 V CA 1.304 63.630 62.300 0.043 0.000 1.057 466 V CB -0.425 31.417 31.823 0.032 0.000 0.711 466 V HN 0.470 nan 8.190 nan 0.000 0.468 467 A N -0.069 122.775 122.820 0.040 0.000 1.917 467 A HA -0.301 4.069 4.320 0.082 0.000 0.219 467 A C 2.549 180.170 177.584 0.061 0.000 1.182 467 A CA 2.604 54.668 52.037 0.045 0.000 0.633 467 A CB -0.910 18.100 19.000 0.016 0.000 0.819 467 A HN 0.475 nan 8.150 nan 0.000 0.448 468 S N -0.089 115.637 115.700 0.043 0.000 2.356 468 S HA -0.202 4.317 4.470 0.082 0.000 0.223 468 S C 1.875 176.558 174.600 0.138 0.000 1.032 468 S CA 1.829 60.065 58.200 0.060 0.000 1.005 468 S CB -0.564 62.650 63.200 0.023 0.000 0.867 468 S HN 0.674 nan 8.310 nan 0.000 0.449 469 N N 0.823 119.610 118.700 0.146 0.000 2.244 469 N HA -0.015 4.774 4.740 0.082 0.000 0.183 469 N C 1.567 177.246 175.510 0.281 0.000 1.016 469 N CA 1.113 54.310 53.050 0.246 0.000 0.866 469 N CB -0.542 38.078 38.487 0.222 0.000 0.980 469 N HN 0.257 nan 8.380 nan 0.000 0.430 470 V N -0.107 119.916 119.914 0.181 0.000 2.515 470 V HA -0.231 3.938 4.120 0.082 0.000 0.250 470 V C 2.245 178.457 176.094 0.196 0.000 1.058 470 V CA 1.064 63.447 62.300 0.139 0.000 1.064 470 V CB -0.541 31.342 31.823 0.100 0.000 0.675 470 V HN 0.424 nan 8.190 nan 0.000 0.461 471 C N -1.185 118.246 119.300 0.219 0.000 2.429 471 C HA -0.186 4.323 4.460 0.082 0.000 0.277 471 C C 2.467 177.605 174.990 0.248 0.000 1.262 471 C CA 0.746 59.899 59.018 0.225 0.000 1.733 471 C CB -1.073 26.757 27.740 0.150 0.000 2.010 471 C HN 0.863 nan 8.230 nan 0.000 0.483 472 W N 1.792 123.155 121.300 0.105 0.000 2.363 472 W HA -0.054 4.655 4.660 0.082 0.000 0.296 472 W C 2.341 178.912 176.519 0.087 0.000 1.212 472 W CA 1.702 59.107 57.345 0.100 0.000 1.260 472 W CB -0.446 29.084 29.460 0.116 0.000 1.131 472 W HN 0.300 nan 8.180 nan 0.000 0.530 473 A N -0.196 122.636 122.820 0.020 0.000 1.858 473 A HA -0.180 4.189 4.320 0.082 0.000 0.216 473 A C 1.938 179.387 177.584 -0.224 0.000 1.190 473 A CA 1.668 53.567 52.037 -0.231 0.000 0.617 473 A CB -1.523 17.416 19.000 -0.102 0.000 0.827 473 A HN 0.302 nan 8.150 nan 0.000 0.443 474 F N 0.658 120.532 119.950 -0.127 0.000 2.120 474 F HA -0.183 4.394 4.527 0.083 0.000 0.300 474 F C 3.009 178.720 175.800 -0.148 0.000 1.095 474 F CA 1.460 59.389 58.000 -0.118 0.000 1.249 474 F CB -0.638 38.314 39.000 -0.080 0.000 0.995 474 F HN 0.282 nan 8.300 nan 0.000 0.480 475 S N -1.065 114.665 115.700 0.051 0.000 2.383 475 S HA -0.185 4.335 4.470 0.082 0.000 0.229 475 S C 2.256 176.770 174.600 -0.144 0.000 1.030 475 S CA 1.911 60.085 58.200 -0.044 0.000 1.002 475 S CB -0.377 62.798 63.200 -0.041 0.000 0.829 475 S HN 0.357 nan 8.310 nan 0.000 0.467 476 S N 1.009 116.513 115.700 -0.326 0.000 2.388 476 S HA 0.121 4.640 4.470 0.082 0.000 0.223 476 S C 1.657 176.151 174.600 -0.178 0.000 1.034 476 S CA 0.799 58.798 58.200 -0.334 0.000 0.963 476 S CB -0.481 62.347 63.200 -0.620 0.000 0.827 476 S HN 0.497 nan 8.310 nan 0.000 0.481 477 L N 2.150 123.278 121.223 -0.159 0.000 2.079 477 L HA -0.066 4.323 4.340 0.082 0.000 0.210 477 L C 2.264 179.119 176.870 -0.025 0.000 1.081 477 L CA 1.830 56.613 54.840 -0.095 0.000 0.752 477 L CB -0.712 41.285 42.059 -0.103 0.000 0.896 477 L HN 0.265 nan 8.230 nan 0.000 0.433 478 A N -0.870 121.965 122.820 0.027 0.000 1.897 478 A HA -0.172 4.198 4.320 0.082 0.000 0.215 478 A C 2.135 179.810 177.584 0.151 0.000 1.181 478 A CA 1.514 53.602 52.037 0.086 0.000 0.620 478 A CB -0.583 18.485 19.000 0.114 0.000 0.821 478 A HN 0.595 nan 8.150 nan 0.000 0.443 479 E N -0.148 120.105 120.200 0.087 0.000 2.204 479 E HA -0.087 4.312 4.350 0.082 0.000 0.195 479 E C 2.149 178.842 176.600 0.154 0.000 0.990 479 E CA 0.855 57.331 56.400 0.127 0.000 0.821 479 E CB -0.210 29.519 29.700 0.049 0.000 0.750 479 E HN 0.640 nan 8.360 nan 0.000 0.477 480 A N 1.356 124.222 122.820 0.077 0.000 1.878 480 A HA 0.129 4.498 4.320 0.082 0.000 0.213 480 A C 2.347 179.988 177.584 0.096 0.000 1.192 480 A CA 1.010 53.080 52.037 0.055 0.000 0.619 480 A CB -0.433 18.560 19.000 -0.012 0.000 0.837 480 A HN 0.251 nan 8.150 nan 0.000 0.446 481 A N -2.109 120.763 122.820 0.086 0.000 2.225 481 A HA -0.012 4.357 4.320 0.082 0.000 0.215 481 A C 1.863 179.675 177.584 0.379 0.000 1.164 481 A CA 1.592 53.679 52.037 0.083 0.000 0.710 481 A CB -0.573 18.312 19.000 -0.192 0.000 0.780 481 A HN 0.728 nan 8.150 nan 0.000 0.473 482 Y N -0.117 120.345 120.300 0.270 0.000 2.422 482 Y HA 0.135 4.734 4.550 0.082 0.000 0.291 482 Y C 1.861 177.835 175.900 0.124 0.000 1.144 482 Y CA 1.183 59.448 58.100 0.277 0.000 1.208 482 Y CB -0.053 38.544 38.460 0.228 0.000 1.195 482 Y HN 0.375 nan 8.280 nan 0.000 0.535 483 E N 0.226 120.478 120.200 0.086 0.000 2.463 483 E HA -0.053 4.346 4.350 0.082 0.000 0.201 483 E C 0.564 177.130 176.600 -0.056 0.000 1.045 483 E CA 0.605 56.980 56.400 -0.042 0.000 0.872 483 E CB -0.097 29.626 29.700 0.038 0.000 0.797 483 E HN 0.411 nan 8.360 nan 0.000 0.538 484 A N -0.009 122.804 122.820 -0.011 0.000 2.855 484 A HA 0.559 4.928 4.320 0.082 0.000 0.301 484 A C 0.968 178.554 177.584 0.004 0.000 1.076 484 A CA 0.096 52.131 52.037 -0.004 0.000 1.004 484 A CB 0.424 19.438 19.000 0.023 0.000 1.152 484 A HN 0.175 nan 8.150 nan 0.000 0.531 485 A N -0.281 122.504 122.820 -0.058 0.000 2.138 485 A HA 0.274 4.643 4.320 0.082 0.000 0.203 485 A C 1.227 178.758 177.584 -0.089 0.000 1.286 485 A CA 0.814 52.825 52.037 -0.044 0.000 0.929 485 A CB 0.174 19.142 19.000 -0.053 0.000 0.975 485 A HN 0.559 nan 8.150 nan 0.000 0.480 486 D N -0.982 119.336 120.400 -0.137 0.000 2.583 486 D HA 0.365 5.054 4.640 0.082 0.000 0.256 486 D C 1.265 177.521 176.300 -0.073 0.000 1.215 486 D CA 0.634 54.566 54.000 -0.113 0.000 1.140 486 D CB -0.329 40.381 40.800 -0.150 0.000 1.111 486 D HN 0.367 nan 8.370 nan 0.000 0.437 487 V N 0.454 120.328 119.914 -0.068 0.000 0.673 487 V HA -0.391 3.778 4.120 0.082 0.000 0.092 487 V C 2.115 178.188 176.094 -0.035 0.000 1.045 487 V CA 3.985 66.257 62.300 -0.046 0.000 3.154 487 V CB -2.200 29.600 31.823 -0.039 0.000 0.336 487 V HN 1.371 nan 8.190 nan 0.000 0.309 488 A N -0.474 122.329 122.820 -0.028 0.000 5.023 488 A HA -0.444 3.925 4.320 0.082 0.000 0.346 488 A C 1.053 178.626 177.584 -0.018 0.000 1.724 488 A CA 3.010 55.034 52.037 -0.021 0.000 0.700 488 A CB -1.796 17.190 19.000 -0.023 0.000 1.464 488 A HN 1.315 nan 8.150 nan 0.000 0.404 489 D N -0.724 119.664 120.400 -0.019 0.000 2.460 489 D HA 0.225 4.914 4.640 0.082 0.000 0.263 489 D C -0.471 175.818 176.300 -0.017 0.000 1.209 489 D CA 0.356 54.346 54.000 -0.016 0.000 0.818 489 D CB 0.398 41.190 40.800 -0.013 0.000 1.239 489 D HN 0.610 nan 8.370 nan 0.000 0.530 490 D N 0.645 121.032 120.400 -0.022 0.000 2.585 490 D HA 0.301 4.990 4.640 0.082 0.000 0.254 490 D C -0.151 176.132 176.300 -0.028 0.000 1.067 490 D CA -0.372 53.614 54.000 -0.023 0.000 1.090 490 D CB 1.437 42.223 40.800 -0.023 0.000 1.408 490 D HN -0.232 nan 8.370 nan 0.000 0.554 491 Q N 0.770 120.554 119.800 -0.027 0.000 2.721 491 Q HA 0.272 4.662 4.340 0.082 0.000 0.257 491 Q C -0.538 175.443 176.000 -0.033 0.000 1.070 491 Q CA -0.404 55.381 55.803 -0.030 0.000 0.910 491 Q CB 1.399 30.122 28.738 -0.024 0.000 1.163 491 Q HN 0.222 nan 8.270 nan 0.000 0.501 492 E N 0.672 120.847 120.200 -0.040 0.000 2.447 492 E HA 0.377 4.776 4.350 0.082 0.000 0.258 492 E C -0.579 175.989 176.600 -0.053 0.000 0.916 492 E CA -0.737 55.638 56.400 -0.041 0.000 0.846 492 E CB 1.091 30.768 29.700 -0.038 0.000 1.517 492 E HN 0.296 nan 8.360 nan 0.000 0.418 493 E N 1.831 122.002 120.200 -0.049 0.000 2.319 493 E HA 0.295 4.694 4.350 0.082 0.000 0.268 493 E C -1.897 174.661 176.600 -0.071 0.000 1.050 493 E CA -1.612 54.756 56.400 -0.054 0.000 0.878 493 E CB 0.514 30.197 29.700 -0.028 0.000 1.066 493 E HN 0.220 nan 8.360 nan 0.000 0.406 494 P HA -0.037 nan 4.420 nan 0.000 0.278 494 P C -0.584 176.672 177.300 -0.074 0.000 1.270 494 P CA 0.135 63.172 63.100 -0.105 0.000 0.800 494 P CB 0.818 32.421 31.700 -0.163 0.000 1.142 495 A N -0.748 122.028 122.820 -0.072 0.000 1.878 495 A HA 0.340 4.709 4.320 0.082 0.000 0.201 495 A C 0.334 177.870 177.584 -0.079 0.000 1.831 495 A CA 0.551 52.548 52.037 -0.066 0.000 1.050 495 A CB -0.130 18.846 19.000 -0.041 0.000 1.063 495 A HN 0.525 nan 8.150 nan 0.000 0.588 496 T N 1.513 116.045 114.554 -0.037 0.000 3.187 496 T HA 0.501 4.900 4.350 0.082 0.000 0.328 496 T C -0.893 173.895 174.700 0.146 0.000 0.951 496 T CA -0.613 61.494 62.100 0.013 0.000 1.049 496 T CB 0.532 69.420 68.868 0.034 0.000 1.015 496 T HN 0.439 nan 8.240 nan 0.000 0.461 497 Y N 0.562 120.890 120.300 0.047 0.000 2.314 497 Y HA 0.453 5.053 4.550 0.082 0.000 0.359 497 Y C 1.960 177.896 175.900 0.060 0.000 1.360 497 Y CA -2.238 55.897 58.100 0.059 0.000 1.697 497 Y CB -1.049 37.470 38.460 0.098 0.000 1.630 497 Y HN 0.637 nan 8.280 nan 0.000 0.583 498 C N -0.863 118.500 119.300 0.105 0.000 2.449 498 C HA 0.130 4.640 4.460 0.082 0.000 0.283 498 C C 2.095 177.023 174.990 -0.104 0.000 1.453 498 C CA 0.052 59.059 59.018 -0.018 0.000 1.779 498 C CB -1.931 25.784 27.740 -0.042 0.000 1.779 498 C HN 0.765 nan 8.230 nan 0.000 0.546 499 L N 0.848 121.851 121.223 -0.366 0.000 2.463 499 L HA 0.037 4.426 4.340 0.082 0.000 0.219 499 L C 2.692 179.658 176.870 0.161 0.000 1.088 499 L CA 0.450 55.158 54.840 -0.220 0.000 0.849 499 L CB -0.519 41.253 42.059 -0.478 0.000 1.012 499 L HN 0.205 nan 8.230 nan 0.000 0.468 500 S N 0.400 116.351 115.700 0.419 0.000 2.389 500 S HA -0.246 4.273 4.470 0.082 0.000 0.231 500 S C 2.110 176.852 174.600 0.236 0.000 1.052 500 S CA 1.985 60.419 58.200 0.390 0.000 1.053 500 S CB -0.240 63.129 63.200 0.281 0.000 0.886 500 S HN 0.435 nan 8.310 nan 0.000 0.456 501 S N 0.935 116.734 115.700 0.165 0.000 2.442 501 S HA -0.060 4.460 4.470 0.082 0.000 0.236 501 S C 1.741 176.407 174.600 0.111 0.000 1.007 501 S CA 1.164 59.431 58.200 0.112 0.000 0.965 501 S CB -0.147 63.099 63.200 0.077 0.000 0.773 501 S HN 0.759 nan 8.310 nan 0.000 0.504 502 S N -0.640 115.139 115.700 0.132 0.000 2.847 502 S HA 0.281 4.800 4.470 0.082 0.000 0.254 502 S C 1.006 175.674 174.600 0.113 0.000 1.039 502 S CA -0.570 57.691 58.200 0.101 0.000 1.113 502 S CB -0.674 62.568 63.200 0.069 0.000 1.092 502 S HN 0.323 nan 8.310 nan 0.000 0.620 503 F N 3.042 123.020 119.950 0.047 0.000 2.147 503 F HA -0.152 4.424 4.527 0.082 0.000 0.301 503 F C 2.158 177.952 175.800 -0.010 0.000 1.084 503 F CA 2.304 60.331 58.000 0.045 0.000 1.268 503 F CB -0.082 38.989 39.000 0.117 0.000 1.009 503 F HN 0.397 nan 8.300 nan 0.000 0.486 504 E N -0.189 120.083 120.200 0.120 0.000 2.076 504 E HA -0.186 4.213 4.350 0.082 0.000 0.190 504 E C 2.134 178.675 176.600 -0.099 0.000 0.979 504 E CA 0.880 57.282 56.400 0.004 0.000 0.807 504 E CB -0.308 29.449 29.700 0.095 0.000 0.761 504 E HN 0.397 nan 8.360 nan 0.000 0.454 505 L N 1.114 122.301 121.223 -0.059 0.000 2.127 505 L HA -0.157 4.233 4.340 0.082 0.000 0.211 505 L C 1.838 178.617 176.870 -0.151 0.000 1.089 505 L CA 1.572 56.369 54.840 -0.071 0.000 0.757 505 L CB -0.270 41.774 42.059 -0.024 0.000 0.899 505 L HN 0.241 nan 8.230 nan 0.000 0.434 506 I N -1.173 119.252 120.570 -0.241 0.000 2.233 506 I HA -0.206 4.013 4.170 0.082 0.000 0.243 506 I C 2.428 178.269 176.117 -0.460 0.000 1.093 506 I CA 1.292 62.338 61.300 -0.424 0.000 1.380 506 I CB -0.482 37.186 38.000 -0.553 0.000 1.067 506 I HN 0.297 nan 8.210 nan 0.000 0.413 507 V N -0.938 118.691 119.914 -0.475 0.000 2.407 507 V HA -0.266 3.903 4.120 0.082 0.000 0.248 507 V C 2.120 178.054 176.094 -0.267 0.000 1.055 507 V CA 1.525 63.579 62.300 -0.410 0.000 1.049 507 V CB -1.107 30.465 31.823 -0.419 0.000 0.662 507 V HN 0.466 nan 8.190 nan 0.000 0.455 508 Q N 0.279 119.954 119.800 -0.208 0.000 2.119 508 Q HA -0.164 4.225 4.340 0.082 0.000 0.201 508 Q C 2.313 178.228 176.000 -0.143 0.000 0.972 508 Q CA 1.676 57.393 55.803 -0.142 0.000 0.847 508 Q CB -0.233 28.448 28.738 -0.097 0.000 0.903 508 Q HN 0.567 nan 8.270 nan 0.000 0.433 509 K N 1.192 121.492 120.400 -0.167 0.000 2.103 509 K HA -0.036 4.333 4.320 0.082 0.000 0.204 509 K C 1.786 178.285 176.600 -0.167 0.000 1.052 509 K CA 0.892 57.095 56.287 -0.140 0.000 0.945 509 K CB -0.156 32.267 32.500 -0.128 0.000 0.722 509 K HN 0.114 nan 8.250 nan 0.000 0.443 510 L N 0.099 121.176 121.223 -0.243 0.000 2.093 510 L HA -0.126 4.263 4.340 0.082 0.000 0.208 510 L C 2.167 178.885 176.870 -0.253 0.000 1.085 510 L CA 0.901 55.590 54.840 -0.252 0.000 0.755 510 L CB -0.345 41.529 42.059 -0.309 0.000 0.904 510 L HN 0.166 nan 8.230 nan 0.000 0.435 511 L N -0.529 120.554 121.223 -0.234 0.000 2.131 511 L HA -0.194 4.195 4.340 0.082 0.000 0.210 511 L C 2.493 179.269 176.870 -0.157 0.000 1.092 511 L CA 1.188 55.898 54.840 -0.217 0.000 0.759 511 L CB -0.286 41.680 42.059 -0.154 0.000 0.903 511 L HN 0.326 nan 8.230 nan 0.000 0.435 512 E N -0.848 119.280 120.200 -0.121 0.000 2.051 512 E HA -0.133 4.266 4.350 0.082 0.000 0.189 512 E C 2.076 178.638 176.600 -0.064 0.000 0.979 512 E CA 1.466 57.821 56.400 -0.074 0.000 0.803 512 E CB -0.074 29.593 29.700 -0.055 0.000 0.761 512 E HN 0.392 nan 8.360 nan 0.000 0.451 513 T N 0.804 115.309 114.554 -0.082 0.000 2.699 513 T HA -0.178 4.221 4.350 0.082 0.000 0.268 513 T C 2.028 176.694 174.700 -0.056 0.000 1.036 513 T CA 1.732 63.797 62.100 -0.059 0.000 1.147 513 T CB -0.487 68.338 68.868 -0.072 0.000 0.862 513 T HN 0.134 nan 8.240 nan 0.000 0.446 514 T N 1.529 116.000 114.554 -0.137 0.000 2.897 514 T HA -0.094 4.305 4.350 0.082 0.000 0.271 514 T C 0.642 175.345 174.700 0.006 0.000 1.084 514 T CA 0.920 62.926 62.100 -0.157 0.000 1.123 514 T CB -0.258 68.303 68.868 -0.511 0.000 0.865 514 T HN 0.340 nan 8.240 nan 0.000 0.496 515 D N 1.841 122.241 120.400 -0.001 0.000 3.179 515 D HA 0.209 4.898 4.640 0.082 0.000 0.267 515 D C 0.205 176.537 176.300 0.053 0.000 1.348 515 D CA 0.044 54.066 54.000 0.037 0.000 0.897 515 D CB 0.285 41.093 40.800 0.013 0.000 1.062 515 D HN 0.339 nan 8.370 nan 0.000 0.494 516 R N 0.596 121.155 120.500 0.098 0.000 2.740 516 R HA 0.390 4.779 4.340 0.082 0.000 0.282 516 R C -2.544 173.823 176.300 0.111 0.000 0.969 516 R CA -1.878 54.290 56.100 0.113 0.000 0.918 516 R CB 1.419 31.805 30.300 0.142 0.000 1.175 516 R HN -0.180 nan 8.270 nan 0.000 0.464 517 P HA -0.145 nan 4.420 nan 0.000 0.252 517 P C -0.906 176.286 177.300 -0.181 0.000 1.147 517 P CA 0.536 63.623 63.100 -0.022 0.000 0.779 517 P CB 0.101 31.803 31.700 0.005 0.000 0.733 518 D N 2.330 122.532 120.400 -0.329 0.000 2.232 518 D HA 0.193 4.882 4.640 0.082 0.000 0.242 518 D C 1.612 177.592 176.300 -0.532 0.000 1.330 518 D CA 0.374 53.936 54.000 -0.731 0.000 0.954 518 D CB -0.591 40.013 40.800 -0.326 0.000 1.202 518 D HN 0.499 nan 8.370 nan 0.000 0.530 519 G N -2.255 106.315 108.800 -0.384 0.000 2.228 519 G HA2 -0.334 3.675 3.960 0.082 0.000 0.270 519 G HA3 -0.334 3.675 3.960 0.082 0.000 0.270 519 G C 0.338 175.238 174.900 -0.001 0.000 0.976 519 G CA 0.782 45.814 45.100 -0.113 0.000 0.636 519 G HN 1.083 nan 8.290 nan 0.000 0.542 520 H N 0.499 119.584 119.070 0.025 0.000 3.016 520 H HA 0.403 5.008 4.556 0.082 0.000 0.345 520 H C 0.817 176.157 175.328 0.021 0.000 1.066 520 H CA 0.155 56.216 56.048 0.022 0.000 1.390 520 H CB 0.395 30.172 29.762 0.026 0.000 1.344 520 H HN 0.453 nan 8.280 nan 0.000 0.605 521 Q N 0.464 120.363 119.800 0.166 0.000 2.544 521 Q HA 0.049 4.438 4.340 0.082 0.000 0.194 521 Q C 0.710 176.732 176.000 0.038 0.000 1.104 521 Q CA -0.502 55.351 55.803 0.084 0.000 1.131 521 Q CB 0.253 29.018 28.738 0.045 0.000 1.210 521 Q HN 0.729 nan 8.270 nan 0.000 0.639 522 N N 1.214 119.925 118.700 0.019 0.000 2.686 522 N HA -0.273 4.516 4.740 0.082 0.000 0.249 522 N C -1.103 174.396 175.510 -0.018 0.000 1.082 522 N CA 1.040 54.088 53.050 -0.003 0.000 0.725 522 N CB -2.022 36.458 38.487 -0.012 0.000 1.009 522 N HN 0.933 nan 8.380 nan 0.000 0.545 523 N N -1.127 117.575 118.700 0.004 0.000 2.691 523 N HA -0.255 4.535 4.740 0.082 0.000 0.277 523 N C 0.848 176.300 175.510 -0.097 0.000 1.029 523 N CA 0.866 53.916 53.050 -0.001 0.000 0.798 523 N CB -1.039 37.469 38.487 0.034 0.000 0.922 523 N HN 0.565 nan 8.380 nan 0.000 0.562 524 L N -0.156 120.874 121.223 -0.322 0.000 1.961 524 L HA -0.189 4.200 4.340 0.082 0.000 0.210 524 L C 2.712 179.442 176.870 -0.234 0.000 1.072 524 L CA 2.174 56.805 54.840 -0.348 0.000 0.749 524 L CB -0.395 41.314 42.059 -0.583 0.000 0.889 524 L HN 0.701 nan 8.230 nan 0.000 0.432 525 R N -0.309 120.005 120.500 -0.310 0.000 2.133 525 R HA -0.231 4.159 4.340 0.082 0.000 0.245 525 R C 2.278 178.693 176.300 0.192 0.000 1.137 525 R CA 2.533 58.693 56.100 0.101 0.000 0.947 525 R CB -0.350 30.186 30.300 0.393 0.000 0.865 525 R HN 0.367 nan 8.270 nan 0.000 0.437 526 S N -0.183 115.606 115.700 0.148 0.000 2.383 526 S HA -0.139 4.380 4.470 0.082 0.000 0.229 526 S C 1.995 176.672 174.600 0.127 0.000 1.030 526 S CA 1.582 59.867 58.200 0.143 0.000 1.002 526 S CB -0.168 63.084 63.200 0.087 0.000 0.829 526 S HN 0.409 nan 8.310 nan 0.000 0.467 527 S N 1.485 117.230 115.700 0.075 0.000 2.368 527 S HA 0.026 4.546 4.470 0.082 0.000 0.224 527 S C 2.287 176.927 174.600 0.066 0.000 1.029 527 S CA 0.890 59.136 58.200 0.078 0.000 0.988 527 S CB -0.476 62.759 63.200 0.059 0.000 0.838 527 S HN 0.612 nan 8.310 nan 0.000 0.462 528 A N 0.607 123.436 122.820 0.014 0.000 1.855 528 A HA -0.072 4.298 4.320 0.082 0.000 0.215 528 A C 1.908 179.434 177.584 -0.097 0.000 1.191 528 A CA 1.354 53.350 52.037 -0.068 0.000 0.613 528 A CB -1.049 17.862 19.000 -0.148 0.000 0.829 528 A HN 0.494 nan 8.150 nan 0.000 0.442 529 Y N -0.193 120.100 120.300 -0.010 0.000 2.165 529 Y HA -0.203 4.396 4.550 0.082 0.000 0.286 529 Y C 2.551 178.447 175.900 -0.007 0.000 1.155 529 Y CA 1.942 60.033 58.100 -0.015 0.000 1.164 529 Y CB -0.318 38.138 38.460 -0.007 0.000 0.978 529 Y HN 0.436 nan 8.280 nan 0.000 0.513 530 E N -0.441 119.858 120.200 0.165 0.000 2.077 530 E HA -0.173 4.226 4.350 0.082 0.000 0.193 530 E C 2.495 179.142 176.600 0.078 0.000 0.989 530 E CA 1.442 57.912 56.400 0.116 0.000 0.800 530 E CB -0.417 29.354 29.700 0.118 0.000 0.746 530 E HN 0.216 nan 8.360 nan 0.000 0.452 531 S N -0.870 114.863 115.700 0.054 0.000 2.355 531 S HA -0.114 4.405 4.470 0.082 0.000 0.222 531 S C 1.872 176.448 174.600 -0.040 0.000 1.031 531 S CA 1.098 59.309 58.200 0.019 0.000 0.993 531 S CB -0.459 62.747 63.200 0.011 0.000 0.859 531 S HN 0.338 nan 8.310 nan 0.000 0.453 532 L N 1.660 122.838 121.223 -0.076 0.000 2.012 532 L HA -0.027 4.363 4.340 0.082 0.000 0.210 532 L C 2.370 179.217 176.870 -0.038 0.000 1.073 532 L CA 2.060 56.834 54.840 -0.109 0.000 0.748 532 L CB -0.666 41.315 42.059 -0.131 0.000 0.891 532 L HN 0.398 nan 8.230 nan 0.000 0.431 533 M N -1.148 118.462 119.600 0.017 0.000 2.149 533 M HA -0.230 4.299 4.480 0.082 0.000 0.261 533 M C 2.162 178.473 176.300 0.019 0.000 1.064 533 M CA 1.898 57.218 55.300 0.032 0.000 1.102 533 M CB -0.288 32.344 32.600 0.053 0.000 1.369 533 M HN 0.278 nan 8.290 nan 0.000 0.408 534 E N 0.716 120.926 120.200 0.016 0.000 2.076 534 E HA -0.138 4.261 4.350 0.082 0.000 0.190 534 E C 1.630 178.232 176.600 0.003 0.000 0.979 534 E CA 0.886 57.294 56.400 0.012 0.000 0.807 534 E CB -0.202 29.513 29.700 0.025 0.000 0.761 534 E HN 0.388 nan 8.360 nan 0.000 0.454 535 I N -0.266 120.301 120.570 -0.005 0.000 2.226 535 I HA -0.188 4.031 4.170 0.082 0.000 0.245 535 I C 1.910 178.114 176.117 0.144 0.000 1.100 535 I CA 1.046 62.365 61.300 0.031 0.000 1.374 535 I CB -0.393 37.537 38.000 -0.115 0.000 1.057 535 I HN 0.019 nan 8.210 nan 0.000 0.413 536 V N 1.142 121.118 119.914 0.103 0.000 2.237 536 V HA -0.339 3.831 4.120 0.082 0.000 0.245 536 V C 2.617 178.738 176.094 0.046 0.000 1.046 536 V CA 2.418 64.825 62.300 0.178 0.000 1.007 536 V CB -0.922 30.962 31.823 0.102 0.000 0.638 536 V HN 0.485 nan 8.190 nan 0.000 0.445 537 K N 0.239 120.629 120.400 -0.017 0.000 2.113 537 K HA -0.196 4.174 4.320 0.082 0.000 0.208 537 K C 1.155 177.593 176.600 -0.270 0.000 1.047 537 K CA 1.714 57.948 56.287 -0.089 0.000 0.928 537 K CB -0.154 32.314 32.500 -0.052 0.000 0.716 537 K HN 0.453 nan 8.250 nan 0.000 0.446 538 N N 1.384 119.903 118.700 -0.302 0.000 2.455 538 N HA 0.005 4.794 4.740 0.082 0.000 0.258 538 N C -0.918 174.255 175.510 -0.562 0.000 1.158 538 N CA 0.118 52.738 53.050 -0.718 0.000 0.893 538 N CB 0.914 39.229 38.487 -0.287 0.000 1.173 538 N HN 0.185 nan 8.380 nan 0.000 0.503 539 S N -1.114 114.335 115.700 -0.418 0.000 2.565 539 S HA 0.786 5.306 4.470 0.082 0.000 0.290 539 S C 0.529 174.883 174.600 -0.410 0.000 1.150 539 S CA -0.862 57.117 58.200 -0.369 0.000 1.058 539 S CB 2.551 65.556 63.200 -0.325 0.000 1.032 539 S HN 0.201 nan 8.310 nan 0.000 0.510 540 A N 2.496 124.990 122.820 -0.543 0.000 2.768 540 A HA 0.478 4.847 4.320 0.082 0.000 0.239 540 A C 1.321 178.781 177.584 -0.207 0.000 1.794 540 A CA -0.284 51.583 52.037 -0.284 0.000 0.853 540 A CB -0.226 18.543 19.000 -0.385 0.000 1.725 540 A HN 0.935 nan 8.150 nan 0.000 0.648 541 K N -0.904 119.408 120.400 -0.146 0.000 1.995 541 K HA -0.080 4.289 4.320 0.082 0.000 0.207 541 K C 1.274 177.818 176.600 -0.092 0.000 1.041 541 K CA 1.420 57.644 56.287 -0.105 0.000 0.942 541 K CB -0.336 32.110 32.500 -0.089 0.000 0.731 541 K HN 0.710 nan 8.250 nan 0.000 0.439 542 D N 0.364 120.706 120.400 -0.097 0.000 2.429 542 D HA -0.137 4.552 4.640 0.082 0.000 0.230 542 D C 0.719 176.947 176.300 -0.120 0.000 1.005 542 D CA 0.629 54.588 54.000 -0.068 0.000 0.963 542 D CB -0.107 40.666 40.800 -0.045 0.000 0.872 542 D HN 0.182 nan 8.370 nan 0.000 0.524 543 C N -0.998 118.165 119.300 -0.230 0.000 2.791 543 C HA 0.103 4.612 4.460 0.082 0.000 0.288 543 C C 1.999 176.839 174.990 -0.251 0.000 1.271 543 C CA -0.545 58.195 59.018 -0.465 0.000 1.726 543 C CB -1.319 25.863 27.740 -0.930 0.000 2.145 543 C HN 0.428 nan 8.230 nan 0.000 0.572 544 Y N 4.195 124.362 120.300 -0.220 0.000 2.038 544 Y HA -0.276 4.323 4.550 0.082 0.000 0.266 544 Y C -0.303 175.554 175.900 -0.072 0.000 1.220 544 Y CA 2.871 60.897 58.100 -0.123 0.000 1.107 544 Y CB -1.681 36.728 38.460 -0.085 0.000 0.932 544 Y HN 0.256 nan 8.280 nan 0.000 0.500 545 P HA -0.200 nan 4.420 nan 0.000 0.216 545 P C 1.301 178.528 177.300 -0.122 0.000 1.150 545 P CA 2.487 65.488 63.100 -0.164 0.000 0.837 545 P CB -0.370 31.318 31.700 -0.020 0.000 0.786 546 A N 0.006 122.799 122.820 -0.044 0.000 1.898 546 A HA -0.077 4.292 4.320 0.082 0.000 0.216 546 A C 2.496 180.140 177.584 0.100 0.000 1.181 546 A CA 1.617 53.708 52.037 0.091 0.000 0.620 546 A CB -1.577 17.600 19.000 0.295 0.000 0.819 546 A HN 0.063 nan 8.150 nan 0.000 0.442 547 V N 0.193 120.125 119.914 0.030 0.000 2.427 547 V HA -0.267 3.902 4.120 0.082 0.000 0.248 547 V C 2.690 178.731 176.094 -0.089 0.000 1.051 547 V CA 1.932 64.246 62.300 0.024 0.000 1.048 547 V CB -0.784 31.031 31.823 -0.014 0.000 0.666 547 V HN 0.552 nan 8.190 nan 0.000 0.456 548 Q N 0.220 119.874 119.800 -0.242 0.000 2.014 548 Q HA -0.299 4.090 4.340 0.082 0.000 0.207 548 Q C 2.380 178.301 176.000 -0.131 0.000 0.993 548 Q CA 2.116 57.753 55.803 -0.276 0.000 0.850 548 Q CB -0.337 28.149 28.738 -0.419 0.000 0.916 548 Q HN 0.587 nan 8.270 nan 0.000 0.417 549 K N -0.119 120.226 120.400 -0.092 0.000 2.211 549 K HA -0.077 4.292 4.320 0.082 0.000 0.203 549 K C 1.964 178.547 176.600 -0.027 0.000 1.050 549 K CA 1.236 57.495 56.287 -0.048 0.000 0.945 549 K CB 0.127 32.608 32.500 -0.030 0.000 0.732 549 K HN 0.092 nan 8.250 nan 0.000 0.451 550 T N 0.186 114.731 114.554 -0.015 0.000 2.867 550 T HA -0.089 4.310 4.350 0.082 0.000 0.268 550 T C 1.571 176.266 174.700 -0.009 0.000 1.057 550 T CA 1.659 63.756 62.100 -0.006 0.000 1.136 550 T CB -0.189 68.689 68.868 0.017 0.000 0.874 550 T HN 0.318 nan 8.240 nan 0.000 0.466 551 T N 2.342 116.884 114.554 -0.020 0.000 2.788 551 T HA 0.071 4.470 4.350 0.082 0.000 0.268 551 T C 1.882 176.571 174.700 -0.018 0.000 1.044 551 T CA 0.775 62.862 62.100 -0.021 0.000 1.139 551 T CB -0.287 68.558 68.868 -0.037 0.000 0.867 551 T HN 0.302 nan 8.240 nan 0.000 0.454 552 L N 0.443 121.652 121.223 -0.023 0.000 2.109 552 L HA -0.014 4.375 4.340 0.082 0.000 0.207 552 L C 2.614 179.479 176.870 -0.008 0.000 1.086 552 L CA 0.691 55.521 54.840 -0.016 0.000 0.760 552 L CB -0.679 41.369 42.059 -0.019 0.000 0.910 552 L HN 0.144 nan 8.230 nan 0.000 0.437 553 V N 0.154 120.064 119.914 -0.007 0.000 2.295 553 V HA -0.273 3.897 4.120 0.082 0.000 0.246 553 V C 2.512 178.612 176.094 0.011 0.000 1.049 553 V CA 1.376 63.676 62.300 -0.000 0.000 1.024 553 V CB -0.281 31.538 31.823 -0.006 0.000 0.648 553 V HN 0.249 nan 8.190 nan 0.000 0.447 554 I N -0.504 120.075 120.570 0.015 0.000 2.163 554 I HA -0.292 3.927 4.170 0.082 0.000 0.243 554 I C 2.444 178.566 176.117 0.008 0.000 1.085 554 I CA 1.993 63.309 61.300 0.027 0.000 1.347 554 I CB -1.075 36.940 38.000 0.025 0.000 1.044 554 I HN 0.315 nan 8.210 nan 0.000 0.408 555 M N -0.073 119.526 119.600 -0.003 0.000 2.065 555 M HA -0.231 4.298 4.480 0.082 0.000 0.259 555 M C 2.223 178.521 176.300 -0.003 0.000 1.069 555 M CA 1.797 57.092 55.300 -0.009 0.000 1.110 555 M CB -0.605 31.989 32.600 -0.011 0.000 1.328 555 M HN 0.198 nan 8.290 nan 0.000 0.405 556 E N -0.020 120.181 120.200 0.001 0.000 2.070 556 E HA -0.223 4.176 4.350 0.082 0.000 0.197 556 E C 2.143 178.749 176.600 0.010 0.000 1.004 556 E CA 1.285 57.688 56.400 0.005 0.000 0.805 556 E CB -0.141 29.562 29.700 0.005 0.000 0.744 556 E HN 0.427 nan 8.360 nan 0.000 0.451 557 R N 0.401 120.910 120.500 0.015 0.000 2.091 557 R HA -0.121 4.268 4.340 0.082 0.000 0.238 557 R C 2.577 178.882 176.300 0.009 0.000 1.136 557 R CA 0.840 56.955 56.100 0.024 0.000 0.959 557 R CB -0.486 29.843 30.300 0.049 0.000 0.856 557 R HN 0.244 nan 8.270 nan 0.000 0.437 558 L N 0.996 122.215 121.223 -0.007 0.000 2.131 558 L HA -0.229 4.160 4.340 0.082 0.000 0.210 558 L C 2.146 179.007 176.870 -0.016 0.000 1.092 558 L CA 1.458 56.279 54.840 -0.032 0.000 0.759 558 L CB -0.041 41.994 42.059 -0.041 0.000 0.903 558 L HN 0.285 nan 8.230 nan 0.000 0.435 559 Q N -1.261 118.539 119.800 -0.001 0.000 2.212 559 Q HA -0.164 4.226 4.340 0.082 0.000 0.199 559 Q C 2.120 178.134 176.000 0.024 0.000 0.950 559 Q CA 0.922 56.731 55.803 0.011 0.000 0.863 559 Q CB 0.126 28.869 28.738 0.009 0.000 0.944 559 Q HN 0.590 nan 8.270 nan 0.000 0.465 560 Q N -0.183 119.631 119.800 0.023 0.000 2.167 560 Q HA -0.109 4.280 4.340 0.082 0.000 0.202 560 Q C 2.093 178.128 176.000 0.058 0.000 0.970 560 Q CA 1.171 56.992 55.803 0.031 0.000 0.855 560 Q CB 0.130 28.884 28.738 0.025 0.000 0.911 560 Q HN 0.206 nan 8.270 nan 0.000 0.438 561 V N 1.148 121.102 119.914 0.066 0.000 2.548 561 V HA -0.221 3.948 4.120 0.082 0.000 0.249 561 V C 2.173 178.408 176.094 0.235 0.000 1.055 561 V CA 1.204 63.586 62.300 0.135 0.000 1.065 561 V CB -0.461 31.362 31.823 0.001 0.000 0.681 561 V HN 0.336 nan 8.190 nan 0.000 0.462 562 L N 0.550 121.848 121.223 0.124 0.000 1.990 562 L HA -0.256 4.133 4.340 0.082 0.000 0.213 562 L C 2.505 179.461 176.870 0.144 0.000 1.072 562 L CA 2.244 57.168 54.840 0.141 0.000 0.755 562 L CB -0.655 41.443 42.059 0.065 0.000 0.889 562 L HN 0.528 nan 8.230 nan 0.000 0.432 563 Q N -0.504 119.344 119.800 0.080 0.000 2.291 563 Q HA -0.097 4.293 4.340 0.082 0.000 0.211 563 Q C 1.494 177.496 176.000 0.002 0.000 0.925 563 Q CA 0.187 56.010 55.803 0.033 0.000 0.949 563 Q CB -0.036 28.710 28.738 0.015 0.000 1.015 563 Q HN 0.349 nan 8.270 nan 0.000 0.477 564 M N 1.604 121.227 119.600 0.039 0.000 2.561 564 M HA 0.016 4.545 4.480 0.082 0.000 0.238 564 M C 0.938 177.094 176.300 -0.241 0.000 1.131 564 M CA 0.665 55.937 55.300 -0.047 0.000 1.046 564 M CB 0.073 32.754 32.600 0.135 0.000 1.532 564 M HN 0.378 nan 8.290 nan 0.000 0.497 565 E N -0.851 119.222 120.200 -0.211 0.000 2.482 565 E HA -0.075 4.324 4.350 0.082 0.000 0.200 565 E C 1.138 177.643 176.600 -0.158 0.000 1.147 565 E CA 0.823 57.060 56.400 -0.271 0.000 0.912 565 E CB -0.577 29.042 29.700 -0.135 0.000 0.938 565 E HN 0.619 nan 8.360 nan 0.000 0.519 566 S N 0.077 115.700 115.700 -0.128 0.000 2.425 566 S HA -0.100 4.419 4.470 0.082 0.000 0.225 566 S C 1.216 175.913 174.600 0.163 0.000 1.024 566 S CA 0.456 58.642 58.200 -0.024 0.000 0.951 566 S CB -0.482 62.661 63.200 -0.094 0.000 0.796 566 S HN 0.568 nan 8.310 nan 0.000 0.498 567 H N 1.212 120.197 119.070 -0.141 0.000 2.492 567 H HA 0.394 4.999 4.556 0.082 0.000 0.264 567 H C -0.299 174.929 175.328 -0.167 0.000 1.150 567 H CA -0.569 55.405 56.048 -0.123 0.000 0.962 567 H CB 0.224 29.933 29.762 -0.088 0.000 1.766 567 H HN 0.494 nan 8.280 nan 0.000 0.589 568 I N -0.057 120.442 120.570 -0.119 0.000 2.227 568 I HA 0.306 4.525 4.170 0.082 0.000 0.297 568 I C -0.404 175.644 176.117 -0.115 0.000 1.173 568 I CA -0.293 60.882 61.300 -0.208 0.000 1.356 568 I CB 0.089 37.863 38.000 -0.376 0.000 1.485 568 I HN 0.048 nan 8.210 nan 0.000 0.604 569 Q N 3.799 123.552 119.800 -0.077 0.000 2.418 569 Q HA 0.572 4.961 4.340 0.082 0.000 0.282 569 Q C -0.584 175.389 176.000 -0.046 0.000 1.044 569 Q CA -0.447 55.320 55.803 -0.059 0.000 0.813 569 Q CB 2.115 30.816 28.738 -0.062 0.000 1.428 569 Q HN 0.704 nan 8.270 nan 0.000 0.402 570 S N 1.282 116.960 115.700 -0.037 0.000 2.881 570 S HA -0.106 4.413 4.470 0.082 0.000 0.852 570 S C -0.904 173.685 174.600 -0.019 0.000 0.877 570 S CA 0.567 58.751 58.200 -0.028 0.000 1.464 570 S CB -0.802 62.380 63.200 -0.030 0.000 1.049 570 S HN 0.750 nan 8.310 nan 0.000 0.322 571 T N 5.226 119.771 114.554 -0.015 0.000 3.058 571 T HA 0.404 4.804 4.350 0.082 0.000 0.249 571 T C 1.339 176.037 174.700 -0.004 0.000 0.949 571 T CA 0.748 62.844 62.100 -0.007 0.000 1.204 571 T CB -0.824 68.039 68.868 -0.008 0.000 0.963 571 T HN 1.561 nan 8.240 nan 0.000 0.634 572 S N 0.914 116.614 115.700 0.001 0.000 1.610 572 S HA -0.067 4.452 4.470 0.082 0.000 0.134 572 S C 0.772 175.377 174.600 0.009 0.000 0.563 572 S CA -0.374 57.827 58.200 0.002 0.000 1.548 572 S CB -0.102 63.095 63.200 -0.005 0.000 0.843 572 S HN 0.478 nan 8.310 nan 0.000 0.275 573 D N 1.453 121.857 120.400 0.007 0.000 2.305 573 D HA 0.142 4.831 4.640 0.082 0.000 0.206 573 D C 1.833 178.158 176.300 0.042 0.000 0.974 573 D CA 0.531 54.541 54.000 0.016 0.000 0.871 573 D CB 0.079 40.877 40.800 -0.002 0.000 0.947 573 D HN 0.483 nan 8.370 nan 0.000 0.516 574 R N 0.692 121.214 120.500 0.038 0.000 2.173 574 R HA 0.121 4.510 4.340 0.082 0.000 0.208 574 R C 2.227 178.611 176.300 0.139 0.000 1.035 574 R CA 0.129 56.281 56.100 0.087 0.000 1.004 574 R CB 0.120 30.442 30.300 0.036 0.000 0.917 574 R HN 0.052 nan 8.270 nan 0.000 0.462 575 I N 0.971 121.585 120.570 0.074 0.000 2.394 575 I HA -0.237 3.982 4.170 0.082 0.000 0.251 575 I C 1.851 178.000 176.117 0.053 0.000 1.136 575 I CA 1.223 62.554 61.300 0.052 0.000 1.425 575 I CB -0.078 37.937 38.000 0.025 0.000 1.079 575 I HN 0.279 nan 8.210 nan 0.000 0.425 576 Q N -0.149 119.692 119.800 0.068 0.000 2.187 576 Q HA -0.151 4.238 4.340 0.082 0.000 0.199 576 Q C 2.082 178.133 176.000 0.086 0.000 0.957 576 Q CA 1.212 57.048 55.803 0.055 0.000 0.857 576 Q CB -0.165 28.596 28.738 0.038 0.000 0.929 576 Q HN 0.436 nan 8.270 nan 0.000 0.453 577 F N 2.369 122.305 119.950 -0.023 0.000 2.113 577 F HA -0.103 4.473 4.527 0.082 0.000 0.297 577 F C 1.736 177.514 175.800 -0.037 0.000 1.103 577 F CA 1.184 59.168 58.000 -0.026 0.000 1.248 577 F CB -0.093 38.894 39.000 -0.021 0.000 0.999 577 F HN -0.001 nan 8.300 nan 0.000 0.475 578 N N 0.491 119.168 118.700 -0.039 0.000 2.244 578 N HA -0.150 4.640 4.740 0.082 0.000 0.183 578 N C 1.156 176.563 175.510 -0.171 0.000 1.016 578 N CA 1.489 54.450 53.050 -0.149 0.000 0.866 578 N CB -0.432 38.041 38.487 -0.023 0.000 0.980 578 N HN 0.368 nan 8.380 nan 0.000 0.430 579 D N 0.342 120.674 120.400 -0.113 0.000 2.249 579 D HA -0.025 4.664 4.640 0.082 0.000 0.205 579 D C 1.934 178.135 176.300 -0.166 0.000 0.962 579 D CA 0.013 53.949 54.000 -0.107 0.000 0.860 579 D CB -0.066 40.709 40.800 -0.042 0.000 0.955 579 D HN 0.090 nan 8.370 nan 0.000 0.505 580 L N 0.901 122.011 121.223 -0.188 0.000 2.056 580 L HA -0.102 4.287 4.340 0.082 0.000 0.207 580 L C 1.936 178.614 176.870 -0.320 0.000 1.078 580 L CA 1.751 56.454 54.840 -0.228 0.000 0.749 580 L CB -0.564 41.407 42.059 -0.147 0.000 0.901 580 L HN -0.055 nan 8.230 nan 0.000 0.433 581 Q N -1.364 118.213 119.800 -0.370 0.000 2.084 581 Q HA -0.200 4.189 4.340 0.082 0.000 0.202 581 Q C 2.413 178.257 176.000 -0.259 0.000 0.978 581 Q CA 1.779 57.373 55.803 -0.348 0.000 0.844 581 Q CB -0.318 28.159 28.738 -0.435 0.000 0.898 581 Q HN 0.573 nan 8.270 nan 0.000 0.426 582 S N 0.448 116.009 115.700 -0.231 0.000 2.368 582 S HA -0.089 4.430 4.470 0.082 0.000 0.225 582 S C 1.871 176.351 174.600 -0.200 0.000 1.030 582 S CA 0.826 58.922 58.200 -0.174 0.000 0.999 582 S CB -0.103 63.018 63.200 -0.132 0.000 0.844 582 S HN 0.275 nan 8.310 nan 0.000 0.459 583 L N 0.720 121.768 121.223 -0.292 0.000 2.141 583 L HA 0.006 4.395 4.340 0.082 0.000 0.209 583 L C 2.242 178.814 176.870 -0.497 0.000 1.094 583 L CA 0.793 55.378 54.840 -0.424 0.000 0.763 583 L CB -0.349 41.300 42.059 -0.684 0.000 0.908 583 L HN 0.329 nan 8.230 nan 0.000 0.437 584 L N -1.767 119.189 121.223 -0.444 0.000 2.131 584 L HA -0.166 4.223 4.340 0.082 0.000 0.206 584 L C 2.634 179.413 176.870 -0.152 0.000 1.087 584 L CA 0.590 55.264 54.840 -0.277 0.000 0.767 584 L CB -0.522 41.412 42.059 -0.208 0.000 0.917 584 L HN 0.333 nan 8.230 nan 0.000 0.441 585 C N -0.039 119.171 119.300 -0.150 0.000 2.432 585 C HA -0.139 4.370 4.460 0.082 0.000 0.277 585 C C 3.154 178.095 174.990 -0.081 0.000 1.249 585 C CA 0.872 59.828 59.018 -0.103 0.000 1.725 585 C CB -0.938 26.744 27.740 -0.096 0.000 2.028 585 C HN 0.611 nan 8.230 nan 0.000 0.477 586 A N -0.120 122.648 122.820 -0.087 0.000 1.972 586 A HA -0.169 4.200 4.320 0.082 0.000 0.219 586 A C 2.163 179.728 177.584 -0.031 0.000 1.169 586 A CA 2.462 54.467 52.037 -0.054 0.000 0.635 586 A CB -0.940 18.030 19.000 -0.050 0.000 0.810 586 A HN 0.593 nan 8.150 nan 0.000 0.446 587 T N -0.052 114.484 114.554 -0.031 0.000 2.737 587 T HA -0.100 4.300 4.350 0.082 0.000 0.265 587 T C 1.801 176.504 174.700 0.006 0.000 1.038 587 T CA 1.379 63.493 62.100 0.022 0.000 1.144 587 T CB -0.349 68.573 68.868 0.090 0.000 0.866 587 T HN 0.294 nan 8.240 nan 0.000 0.434 588 L N 1.398 122.611 121.223 -0.018 0.000 2.127 588 L HA -0.121 4.268 4.340 0.082 0.000 0.211 588 L C 2.366 179.218 176.870 -0.030 0.000 1.089 588 L CA 1.707 56.532 54.840 -0.025 0.000 0.757 588 L CB -0.673 41.360 42.059 -0.043 0.000 0.899 588 L HN 0.289 nan 8.230 nan 0.000 0.434 589 Q N -1.028 118.751 119.800 -0.034 0.000 2.124 589 Q HA -0.168 4.221 4.340 0.082 0.000 0.202 589 Q C 1.912 177.898 176.000 -0.023 0.000 0.977 589 Q CA 1.539 57.320 55.803 -0.037 0.000 0.850 589 Q CB -0.175 28.541 28.738 -0.037 0.000 0.901 589 Q HN 0.624 nan 8.270 nan 0.000 0.429 590 N N 0.077 118.771 118.700 -0.010 0.000 2.173 590 N HA -0.112 4.677 4.740 0.082 0.000 0.184 590 N C 2.042 177.553 175.510 0.002 0.000 1.025 590 N CA 1.680 54.730 53.050 -0.001 0.000 0.852 590 N CB -0.002 38.492 38.487 0.011 0.000 0.998 590 N HN 0.227 nan 8.380 nan 0.000 0.427 591 V N -0.717 119.200 119.914 0.005 0.000 2.548 591 V HA -0.044 4.125 4.120 0.082 0.000 0.249 591 V C 2.309 178.403 176.094 -0.001 0.000 1.055 591 V CA 0.889 63.194 62.300 0.008 0.000 1.065 591 V CB -0.729 31.100 31.823 0.009 0.000 0.681 591 V HN 0.003 nan 8.190 nan 0.000 0.462 592 L N 0.988 122.202 121.223 -0.014 0.000 2.079 592 L HA -0.057 4.333 4.340 0.082 0.000 0.210 592 L C 2.760 179.617 176.870 -0.021 0.000 1.081 592 L CA 1.861 56.686 54.840 -0.025 0.000 0.752 592 L CB -1.043 40.989 42.059 -0.044 0.000 0.896 592 L HN 0.356 nan 8.230 nan 0.000 0.433 593 R N -1.374 119.116 120.500 -0.016 0.000 2.313 593 R HA -0.072 4.317 4.340 0.082 0.000 0.199 593 R C 1.605 177.909 176.300 0.007 0.000 0.958 593 R CA 0.270 56.363 56.100 -0.012 0.000 1.047 593 R CB 0.096 30.388 30.300 -0.014 0.000 0.955 593 R HN 0.102 nan 8.270 nan 0.000 0.481 594 K N 0.456 120.868 120.400 0.020 0.000 2.399 594 K HA 0.035 4.404 4.320 0.082 0.000 0.196 594 K C 0.593 177.257 176.600 0.108 0.000 1.103 594 K CA 0.103 56.416 56.287 0.043 0.000 0.986 594 K CB 0.646 33.163 32.500 0.028 0.000 0.952 594 K HN 0.021 nan 8.250 nan 0.000 0.541 595 V N -0.360 119.618 119.914 0.107 0.000 3.336 595 V HA 0.293 4.462 4.120 0.082 0.000 0.304 595 V C 0.485 176.720 176.094 0.236 0.000 1.073 595 V CA -0.890 61.539 62.300 0.214 0.000 1.074 595 V CB 0.779 32.648 31.823 0.077 0.000 1.161 595 V HN 0.176 nan 8.190 nan 0.000 0.460 596 Q N -0.316 119.701 119.800 0.361 0.000 2.697 596 Q HA 0.084 4.473 4.340 0.082 0.000 0.196 596 Q C 1.193 177.285 176.000 0.154 0.000 1.121 596 Q CA -0.065 55.851 55.803 0.188 0.000 1.151 596 Q CB 0.096 28.934 28.738 0.167 0.000 1.250 596 Q HN 0.916 nan 8.270 nan 0.000 0.658 597 H N 0.272 119.373 119.070 0.051 0.000 2.403 597 H HA -0.049 4.556 4.556 0.082 0.000 0.298 597 H C 1.528 176.885 175.328 0.050 0.000 1.059 597 H CA 1.549 57.622 56.048 0.042 0.000 1.363 597 H CB 0.617 30.394 29.762 0.025 0.000 1.410 597 H HN 0.500 nan 8.280 nan 0.000 0.528 598 Q N 0.656 120.616 119.800 0.267 0.000 2.170 598 Q HA -0.094 4.296 4.340 0.082 0.000 0.203 598 Q C 1.898 177.979 176.000 0.136 0.000 0.976 598 Q CA 1.364 57.282 55.803 0.191 0.000 0.858 598 Q CB 0.000 28.812 28.738 0.123 0.000 0.907 598 Q HN 0.529 nan 8.270 nan 0.000 0.433 599 D N -0.087 120.386 120.400 0.122 0.000 2.178 599 D HA -0.126 4.563 4.640 0.082 0.000 0.201 599 D C 1.569 177.894 176.300 0.043 0.000 0.980 599 D CA 1.321 55.366 54.000 0.075 0.000 0.842 599 D CB 0.003 40.847 40.800 0.074 0.000 0.948 599 D HN 0.317 nan 8.370 nan 0.000 0.472 600 A N 0.907 123.742 122.820 0.025 0.000 1.897 600 A HA -0.041 4.328 4.320 0.082 0.000 0.215 600 A C 2.360 179.961 177.584 0.029 0.000 1.181 600 A CA 0.525 52.553 52.037 -0.016 0.000 0.620 600 A CB -0.658 18.274 19.000 -0.114 0.000 0.821 600 A HN 0.147 nan 8.150 nan 0.000 0.443 601 L N -0.711 120.559 121.223 0.078 0.000 2.275 601 L HA -0.173 4.216 4.340 0.082 0.000 0.215 601 L C 2.449 179.372 176.870 0.088 0.000 1.119 601 L CA 1.009 55.917 54.840 0.114 0.000 0.790 601 L CB -0.331 41.825 42.059 0.161 0.000 0.919 601 L HN 0.499 nan 8.230 nan 0.000 0.443 602 Q N -0.857 118.986 119.800 0.070 0.000 2.392 602 Q HA 0.101 4.490 4.340 0.082 0.000 0.203 602 Q C 1.748 177.772 176.000 0.041 0.000 0.917 602 Q CA 0.584 56.419 55.803 0.054 0.000 0.939 602 Q CB 0.737 29.503 28.738 0.048 0.000 1.063 602 Q HN 0.565 nan 8.270 nan 0.000 0.516 603 I N -0.682 119.909 120.570 0.036 0.000 4.433 603 I HA -0.099 4.121 4.170 0.082 0.000 0.322 603 I C 2.067 178.193 176.117 0.016 0.000 1.284 603 I CA 0.314 61.626 61.300 0.019 0.000 1.269 603 I CB 0.379 38.380 38.000 0.001 0.000 1.219 603 I HN 0.093 nan 8.210 nan 0.000 0.436 604 S N 1.026 116.744 115.700 0.029 0.000 2.381 604 S HA -0.308 4.211 4.470 0.082 0.000 0.230 604 S C 1.522 176.124 174.600 0.005 0.000 1.052 604 S CA 1.983 60.188 58.200 0.008 0.000 1.068 604 S CB -0.658 62.601 63.200 0.098 0.000 0.918 604 S HN 0.399 nan 8.310 nan 0.000 0.448 605 D N 1.137 121.609 120.400 0.120 0.000 2.182 605 D HA -0.048 4.641 4.640 0.082 0.000 0.201 605 D C 2.136 178.472 176.300 0.060 0.000 0.986 605 D CA 1.318 55.409 54.000 0.152 0.000 0.847 605 D CB -0.356 40.525 40.800 0.134 0.000 0.942 605 D HN 0.425 nan 8.370 nan 0.000 0.467 606 V N 0.887 120.816 119.914 0.026 0.000 2.323 606 V HA -0.169 4.000 4.120 0.082 0.000 0.244 606 V C 2.720 178.802 176.094 -0.019 0.000 1.041 606 V CA 0.849 63.154 62.300 0.008 0.000 1.025 606 V CB -0.347 31.479 31.823 0.006 0.000 0.656 606 V HN 0.026 nan 8.190 nan 0.000 0.451 607 V N -0.573 119.313 119.914 -0.047 0.000 2.295 607 V HA -0.300 3.869 4.120 0.082 0.000 0.246 607 V C 2.562 178.592 176.094 -0.106 0.000 1.049 607 V CA 1.926 64.181 62.300 -0.074 0.000 1.024 607 V CB -0.677 31.093 31.823 -0.089 0.000 0.648 607 V HN 0.382 nan 8.190 nan 0.000 0.447 608 M N 0.002 119.495 119.600 -0.177 0.000 2.082 608 M HA -0.206 4.323 4.480 0.082 0.000 0.258 608 M C 2.456 178.710 176.300 -0.077 0.000 1.069 608 M CA 2.436 57.600 55.300 -0.226 0.000 1.102 608 M CB -1.493 30.815 32.600 -0.487 0.000 1.336 608 M HN 0.433 nan 8.290 nan 0.000 0.404 609 A N -0.346 122.462 122.820 -0.021 0.000 1.892 609 A HA -0.175 4.195 4.320 0.082 0.000 0.218 609 A C 2.491 180.087 177.584 0.020 0.000 1.188 609 A CA 2.460 54.517 52.037 0.034 0.000 0.631 609 A CB -0.917 18.109 19.000 0.044 0.000 0.822 609 A HN 0.515 nan 8.150 nan 0.000 0.447 610 S N -0.093 115.604 115.700 -0.005 0.000 2.344 610 S HA -0.094 4.425 4.470 0.082 0.000 0.217 610 S C 1.840 176.430 174.600 -0.017 0.000 1.033 610 S CA 1.494 59.688 58.200 -0.009 0.000 1.017 610 S CB -0.619 62.568 63.200 -0.022 0.000 0.941 610 S HN 0.498 nan 8.310 nan 0.000 0.430 611 L N 0.857 122.056 121.223 -0.040 0.000 2.189 611 L HA -0.170 4.219 4.340 0.082 0.000 0.214 611 L C 2.330 179.195 176.870 -0.009 0.000 1.097 611 L CA 0.628 55.443 54.840 -0.042 0.000 0.764 611 L CB -0.595 41.413 42.059 -0.085 0.000 0.900 611 L HN 0.236 nan 8.230 nan 0.000 0.436 612 L N -0.048 121.176 121.223 0.002 0.000 2.005 612 L HA -0.163 4.226 4.340 0.082 0.000 0.207 612 L C 2.777 179.641 176.870 -0.009 0.000 1.072 612 L CA 1.707 56.567 54.840 0.033 0.000 0.744 612 L CB -0.502 41.637 42.059 0.134 0.000 0.895 612 L HN 0.103 nan 8.230 nan 0.000 0.433 613 R N -1.226 119.283 120.500 0.015 0.000 2.117 613 R HA -0.202 4.188 4.340 0.082 0.000 0.243 613 R C 2.152 178.448 176.300 -0.005 0.000 1.143 613 R CA 1.895 58.000 56.100 0.009 0.000 0.968 613 R CB -0.511 29.804 30.300 0.025 0.000 0.863 613 R HN 0.388 nan 8.270 nan 0.000 0.444 614 M N -0.267 119.335 119.600 0.002 0.000 2.132 614 M HA -0.055 4.475 4.480 0.082 0.000 0.263 614 M C 1.028 177.327 176.300 -0.002 0.000 1.065 614 M CA 0.772 56.069 55.300 -0.005 0.000 1.122 614 M CB -0.355 32.233 32.600 -0.020 0.000 1.365 614 M HN 0.004 nan 8.290 nan 0.000 0.411 615 F N 1.822 121.694 119.950 -0.131 0.000 2.646 615 F HA 0.256 4.832 4.527 0.082 0.000 0.321 615 F C 0.384 176.085 175.800 -0.164 0.000 1.241 615 F CA 1.130 59.043 58.000 -0.145 0.000 1.365 615 F CB 0.145 39.036 39.000 -0.180 0.000 1.143 615 F HN 0.270 nan 8.300 nan 0.000 0.601 622 G N 0.307 109.035 108.800 -0.120 0.000 3.330 622 G HA2 -0.034 3.976 3.960 0.082 0.000 0.197 622 G HA3 -0.034 3.976 3.960 0.082 0.000 0.197 622 G C 1.415 176.258 174.900 -0.095 0.000 1.284 622 G CA 0.668 45.692 45.100 -0.127 0.000 0.921 622 G HN 1.579 nan 8.290 nan 0.000 0.466 623 G N 0.712 109.465 108.800 -0.079 0.000 2.471 623 G HA2 0.162 4.171 3.960 0.082 0.000 0.219 623 G HA3 0.162 4.171 3.960 0.082 0.000 0.219 623 G C 1.713 176.580 174.900 -0.055 0.000 1.125 623 G CA 2.234 47.297 45.100 -0.061 0.000 0.775 623 G HN 0.959 nan 8.290 nan 0.000 0.548 624 V N 0.305 120.178 119.914 -0.069 0.000 2.407 624 V HA -0.188 3.982 4.120 0.082 0.000 0.245 624 V C 2.807 178.896 176.094 -0.009 0.000 1.041 624 V CA 1.858 64.119 62.300 -0.065 0.000 1.040 624 V CB -0.595 31.172 31.823 -0.092 0.000 0.671 624 V HN 0.395 nan 8.190 nan 0.000 0.455 625 Q N 0.177 119.969 119.800 -0.014 0.000 2.045 625 Q HA -0.300 4.089 4.340 0.082 0.000 0.206 625 Q C 2.372 178.505 176.000 0.221 0.000 0.991 625 Q CA 2.164 58.051 55.803 0.141 0.000 0.851 625 Q CB -0.323 28.370 28.738 -0.075 0.000 0.911 625 Q HN 0.705 nan 8.270 nan 0.000 0.418 626 E N 0.595 120.856 120.200 0.103 0.000 2.130 626 E HA -0.247 4.153 4.350 0.082 0.000 0.196 626 E C 1.378 178.007 176.600 0.049 0.000 0.998 626 E CA 1.213 57.660 56.400 0.078 0.000 0.806 626 E CB 0.084 29.803 29.700 0.032 0.000 0.738 626 E HN 0.304 nan 8.360 nan 0.000 0.459 627 D N -0.578 119.836 120.400 0.024 0.000 2.194 627 D HA -0.050 4.639 4.640 0.082 0.000 0.204 627 D C 1.754 178.051 176.300 -0.005 0.000 0.964 627 D CA 0.915 54.911 54.000 -0.008 0.000 0.846 627 D CB 0.108 40.883 40.800 -0.041 0.000 0.962 627 D HN 0.254 nan 8.370 nan 0.000 0.490 628 A N 1.155 123.997 122.820 0.036 0.000 1.855 628 A HA -0.107 4.262 4.320 0.082 0.000 0.215 628 A C 2.403 179.985 177.584 -0.003 0.000 1.191 628 A CA 0.763 52.818 52.037 0.030 0.000 0.613 628 A CB -0.838 18.238 19.000 0.127 0.000 0.829 628 A HN 0.169 nan 8.150 nan 0.000 0.442 629 L N -1.027 120.218 121.223 0.036 0.000 2.043 629 L HA -0.263 4.126 4.340 0.082 0.000 0.212 629 L C 2.891 179.742 176.870 -0.031 0.000 1.075 629 L CA 1.783 56.620 54.840 -0.005 0.000 0.752 629 L CB -0.598 41.484 42.059 0.039 0.000 0.891 629 L HN 0.447 nan 8.230 nan 0.000 0.432 630 M N -0.822 118.767 119.600 -0.018 0.000 2.175 630 M HA -0.162 4.367 4.480 0.082 0.000 0.264 630 M C 2.489 178.749 176.300 -0.067 0.000 1.063 630 M CA 1.699 56.977 55.300 -0.036 0.000 1.119 630 M CB -0.467 32.120 32.600 -0.021 0.000 1.377 630 M HN 0.322 nan 8.290 nan 0.000 0.415 631 A N -0.118 122.659 122.820 -0.071 0.000 1.930 631 A HA -0.074 4.295 4.320 0.082 0.000 0.217 631 A C 2.188 179.692 177.584 -0.134 0.000 1.175 631 A CA 1.352 53.335 52.037 -0.091 0.000 0.627 631 A CB -0.826 18.124 19.000 -0.083 0.000 0.815 631 A HN 0.303 nan 8.150 nan 0.000 0.443 632 V N -0.414 119.401 119.914 -0.165 0.000 2.427 632 V HA -0.189 3.980 4.120 0.082 0.000 0.248 632 V C 2.725 178.643 176.094 -0.293 0.000 1.051 632 V CA 2.133 64.275 62.300 -0.264 0.000 1.048 632 V CB -0.794 30.816 31.823 -0.356 0.000 0.666 632 V HN 0.533 nan 8.190 nan 0.000 0.456 633 S N -0.184 115.393 115.700 -0.205 0.000 2.359 633 S HA -0.220 4.299 4.470 0.082 0.000 0.224 633 S C 2.149 176.635 174.600 -0.191 0.000 1.035 633 S CA 2.137 60.221 58.200 -0.194 0.000 1.018 633 S CB -0.390 62.742 63.200 -0.113 0.000 0.876 633 S HN 0.681 nan 8.310 nan 0.000 0.448 634 T N 2.207 116.672 114.554 -0.147 0.000 2.746 634 T HA -0.039 4.360 4.350 0.082 0.000 0.267 634 T C 1.712 176.323 174.700 -0.148 0.000 1.039 634 T CA 0.980 63.005 62.100 -0.124 0.000 1.142 634 T CB -0.353 68.461 68.868 -0.091 0.000 0.866 634 T HN 0.147 nan 8.240 nan 0.000 0.444 635 L N 1.117 122.235 121.223 -0.175 0.000 2.093 635 L HA 0.018 4.407 4.340 0.082 0.000 0.208 635 L C 2.379 179.123 176.870 -0.209 0.000 1.085 635 L CA 1.279 56.021 54.840 -0.164 0.000 0.755 635 L CB -0.570 41.398 42.059 -0.153 0.000 0.904 635 L HN 0.072 nan 8.230 nan 0.000 0.435 636 V N -0.358 119.323 119.914 -0.388 0.000 2.515 636 V HA -0.258 3.912 4.120 0.082 0.000 0.250 636 V C 2.345 178.284 176.094 -0.258 0.000 1.058 636 V CA 1.866 63.838 62.300 -0.546 0.000 1.064 636 V CB -0.568 30.793 31.823 -0.769 0.000 0.675 636 V HN 0.530 nan 8.190 nan 0.000 0.461 637 E N -0.204 119.881 120.200 -0.192 0.000 2.107 637 E HA -0.125 4.274 4.350 0.082 0.000 0.191 637 E C 2.160 178.702 176.600 -0.097 0.000 0.982 637 E CA 1.249 57.578 56.400 -0.118 0.000 0.809 637 E CB -0.129 29.512 29.700 -0.098 0.000 0.756 637 E HN 0.491 nan 8.360 nan 0.000 0.459 638 V N 1.321 121.160 119.914 -0.125 0.000 2.407 638 V HA -0.154 4.015 4.120 0.082 0.000 0.245 638 V C 2.158 178.104 176.094 -0.246 0.000 1.041 638 V CA 0.936 63.132 62.300 -0.173 0.000 1.040 638 V CB -0.250 31.470 31.823 -0.171 0.000 0.671 638 V HN 0.271 nan 8.190 nan 0.000 0.455 639 L N -0.084 121.070 121.223 -0.116 0.000 2.109 639 L HA 0.152 4.542 4.340 0.082 0.000 0.207 639 L C 1.717 178.655 176.870 0.114 0.000 1.086 639 L CA 2.025 56.870 54.840 0.008 0.000 0.760 639 L CB -1.756 40.421 42.059 0.196 0.000 0.910 639 L HN 0.590 nan 8.230 nan 0.000 0.437 640 G N -0.274 108.570 108.800 0.073 0.000 2.547 640 G HA2 -0.350 3.659 3.960 0.082 0.000 0.271 640 G HA3 -0.350 3.659 3.960 0.082 0.000 0.271 640 G C 1.001 175.988 174.900 0.145 0.000 1.209 640 G CA 0.293 45.451 45.100 0.097 0.000 0.959 640 G HN 0.401 nan 8.290 nan 0.000 0.563 641 G N -0.279 108.600 108.800 0.132 0.000 2.450 641 G HA2 0.001 4.010 3.960 0.082 0.000 0.220 641 G HA3 0.001 4.010 3.960 0.082 0.000 0.220 641 G C 1.320 176.313 174.900 0.155 0.000 1.130 641 G CA 1.535 46.713 45.100 0.130 0.000 0.760 641 G HN 0.842 nan 8.290 nan 0.000 0.557 642 E N -0.610 119.692 120.200 0.170 0.000 2.510 642 E HA -0.058 4.341 4.350 0.082 0.000 0.202 642 E C 1.507 178.224 176.600 0.194 0.000 1.072 642 E CA -0.040 56.454 56.400 0.156 0.000 0.883 642 E CB -0.148 29.660 29.700 0.180 0.000 0.818 642 E HN 0.581 nan 8.360 nan 0.000 0.548 643 F N 0.546 120.557 119.950 0.100 0.000 2.664 643 F HA 0.004 4.580 4.527 0.082 0.000 0.296 643 F C 1.732 177.609 175.800 0.129 0.000 1.125 643 F CA 0.080 58.175 58.000 0.159 0.000 1.444 643 F CB 0.195 39.240 39.000 0.076 0.000 1.114 643 F HN 0.017 nan 8.300 nan 0.000 0.576 644 L N 1.312 122.602 121.223 0.111 0.000 2.197 644 L HA -0.254 4.136 4.340 0.082 0.000 0.215 644 L C 2.029 178.834 176.870 -0.109 0.000 1.095 644 L CA 1.820 56.674 54.840 0.025 0.000 0.764 644 L CB -0.860 41.240 42.059 0.069 0.000 0.897 644 L HN 0.107 nan 8.230 nan 0.000 0.436 645 K N -1.516 118.746 120.400 -0.230 0.000 2.152 645 K HA -0.192 4.177 4.320 0.082 0.000 0.206 645 K C 1.742 178.035 176.600 -0.511 0.000 1.048 645 K CA 1.982 58.034 56.287 -0.391 0.000 0.933 645 K CB -0.409 31.748 32.500 -0.571 0.000 0.721 645 K HN 0.413 nan 8.250 nan 0.000 0.447 646 Y N -0.038 119.994 120.300 -0.446 0.000 2.500 646 Y HA 0.109 4.708 4.550 0.082 0.000 0.270 646 Y C 2.028 177.792 175.900 -0.226 0.000 1.134 646 Y CA -0.083 57.767 58.100 -0.416 0.000 1.293 646 Y CB -0.027 38.001 38.460 -0.719 0.000 1.063 646 Y HN -0.082 nan 8.280 nan 0.000 0.534 647 M N 0.461 120.010 119.600 -0.086 0.000 2.195 647 M HA -0.267 4.262 4.480 0.082 0.000 0.260 647 M C 2.094 178.476 176.300 0.136 0.000 1.066 647 M CA 1.523 56.828 55.300 0.008 0.000 1.089 647 M CB -0.835 31.602 32.600 -0.272 0.000 1.377 647 M HN 0.447 nan 8.290 nan 0.000 0.411 648 E N -0.329 119.952 120.200 0.136 0.000 2.046 648 E HA -0.076 4.323 4.350 0.082 0.000 0.190 648 E C 1.932 178.560 176.600 0.046 0.000 0.982 648 E CA 1.099 57.577 56.400 0.130 0.000 0.800 648 E CB 0.127 29.873 29.700 0.076 0.000 0.756 648 E HN 0.435 nan 8.360 nan 0.000 0.449 649 A N 0.175 123.019 122.820 0.040 0.000 2.016 649 A HA -0.083 4.286 4.320 0.082 0.000 0.217 649 A C 1.778 179.335 177.584 -0.045 0.000 1.162 649 A CA 0.627 52.662 52.037 -0.005 0.000 0.662 649 A CB -0.460 18.578 19.000 0.063 0.000 0.812 649 A HN 0.465 nan 8.150 nan 0.000 0.450 650 F N 0.544 120.444 119.950 -0.083 0.000 2.569 650 F HA 0.132 4.708 4.527 0.082 0.000 0.295 650 F C 1.876 177.629 175.800 -0.079 0.000 1.115 650 F CA 0.845 58.819 58.000 -0.043 0.000 1.450 650 F CB -0.191 38.870 39.000 0.102 0.000 1.107 650 F HN 0.212 nan 8.300 nan 0.000 0.563 651 K N 1.553 121.861 120.400 -0.154 0.000 2.032 651 K HA -0.213 4.157 4.320 0.082 0.000 0.218 651 K C -0.636 175.808 176.600 -0.259 0.000 1.054 651 K CA 2.333 58.514 56.287 -0.177 0.000 0.941 651 K CB -1.562 30.961 32.500 0.038 0.000 0.720 651 K HN 0.189 nan 8.250 nan 0.000 0.449 652 P HA -0.167 nan 4.420 nan 0.000 0.218 652 P C 1.192 178.441 177.300 -0.084 0.000 1.148 652 P CA 1.359 64.333 63.100 -0.210 0.000 0.822 652 P CB -0.121 31.410 31.700 -0.281 0.000 0.784 653 F N -0.088 119.767 119.950 -0.159 0.000 2.128 653 F HA -0.018 4.558 4.527 0.082 0.000 0.295 653 F C 2.477 178.032 175.800 -0.409 0.000 1.100 653 F CA 0.213 58.106 58.000 -0.178 0.000 1.260 653 F CB -1.966 36.970 39.000 -0.107 0.000 1.009 653 F HN -0.177 nan 8.300 nan 0.000 0.476 654 L N 0.733 121.587 121.223 -0.616 0.000 2.079 654 L HA -0.020 4.369 4.340 0.082 0.000 0.210 654 L C 2.321 179.069 176.870 -0.203 0.000 1.081 654 L CA 2.203 56.702 54.840 -0.568 0.000 0.752 654 L CB -1.431 40.151 42.059 -0.796 0.000 0.896 654 L HN 0.127 nan 8.230 nan 0.000 0.433 655 G N -0.376 108.339 108.800 -0.141 0.000 2.443 655 G HA2 -0.194 3.816 3.960 0.082 0.000 0.219 655 G HA3 -0.194 3.816 3.960 0.082 0.000 0.219 655 G C 1.586 176.513 174.900 0.045 0.000 1.131 655 G CA 1.030 46.114 45.100 -0.026 0.000 0.775 655 G HN 0.499 nan 8.290 nan 0.000 0.547 656 I N 1.154 121.783 120.570 0.098 0.000 2.163 656 I HA -0.076 4.143 4.170 0.082 0.000 0.240 656 I C 3.129 179.366 176.117 0.200 0.000 1.081 656 I CA 1.080 62.495 61.300 0.192 0.000 1.353 656 I CB -0.621 37.607 38.000 0.380 0.000 1.054 656 I HN 0.228 nan 8.210 nan 0.000 0.407 657 G N 1.256 110.200 108.800 0.239 0.000 2.469 657 G HA2 -0.215 3.794 3.960 0.082 0.000 0.219 657 G HA3 -0.215 3.794 3.960 0.082 0.000 0.219 657 G C 1.712 176.695 174.900 0.139 0.000 1.150 657 G CA 0.734 45.978 45.100 0.240 0.000 0.763 657 G HN 0.270 nan 8.290 nan 0.000 0.561 658 L N -0.093 121.188 121.223 0.096 0.000 2.072 658 L HA 0.037 4.426 4.340 0.082 0.000 0.205 658 L C 2.758 179.706 176.870 0.130 0.000 1.079 658 L CA 1.400 56.300 54.840 0.099 0.000 0.752 658 L CB -0.371 41.729 42.059 0.068 0.000 0.906 658 L HN 0.180 nan 8.230 nan 0.000 0.436 659 K N 0.209 120.673 120.400 0.107 0.000 2.147 659 K HA -0.175 4.194 4.320 0.082 0.000 0.205 659 K C 1.915 178.546 176.600 0.051 0.000 1.049 659 K CA 1.110 57.461 56.287 0.107 0.000 0.936 659 K CB 0.061 32.605 32.500 0.073 0.000 0.722 659 K HN 0.306 nan 8.250 nan 0.000 0.446 660 N N 0.359 119.053 118.700 -0.010 0.000 2.022 660 N HA -0.225 4.565 4.740 0.082 0.000 0.194 660 N C 1.083 176.330 175.510 -0.439 0.000 1.057 660 N CA 2.098 55.030 53.050 -0.197 0.000 0.849 660 N CB -0.422 38.007 38.487 -0.096 0.000 1.044 660 N HN 0.409 nan 8.380 nan 0.000 0.424 661 Y N -1.877 118.461 120.300 0.064 0.000 3.651 661 Y HA -0.402 4.197 4.550 0.082 0.000 0.418 661 Y C 1.451 177.399 175.900 0.080 0.000 1.085 661 Y CA 1.318 59.470 58.100 0.086 0.000 2.515 661 Y CB -2.052 36.459 38.460 0.086 0.000 0.884 661 Y HN 0.059 nan 8.280 nan 0.000 0.517 662 A N 0.960 123.618 122.820 -0.269 0.000 1.927 662 A HA -0.230 4.139 4.320 0.082 0.000 0.220 662 A C 1.550 179.109 177.584 -0.043 0.000 1.185 662 A CA 1.896 53.867 52.037 -0.111 0.000 0.639 662 A CB -0.564 18.283 19.000 -0.256 0.000 0.820 662 A HN 0.768 nan 8.150 nan 0.000 0.451 663 E N -0.054 120.078 120.200 -0.113 0.000 2.373 663 E HA 0.322 4.721 4.350 0.082 0.000 0.233 663 E C 0.482 176.966 176.600 -0.194 0.000 1.035 663 E CA -0.668 55.581 56.400 -0.251 0.000 0.930 663 E CB -0.024 29.549 29.700 -0.212 0.000 1.278 663 E HN 0.613 nan 8.360 nan 0.000 0.452 664 Y N 1.482 121.812 120.300 0.050 0.000 2.264 664 Y HA -0.381 4.218 4.550 0.082 0.000 0.282 664 Y C 1.607 177.535 175.900 0.047 0.000 1.204 664 Y CA 1.518 59.664 58.100 0.077 0.000 1.228 664 Y CB -0.743 37.762 38.460 0.075 0.000 0.971 664 Y HN 0.402 nan 8.280 nan 0.000 0.538 665 Q N 0.498 120.301 119.800 0.005 0.000 2.020 665 Q HA -0.127 4.262 4.340 0.082 0.000 0.202 665 Q C 2.471 178.515 176.000 0.074 0.000 0.982 665 Q CA 2.136 57.990 55.803 0.085 0.000 0.838 665 Q CB -0.412 28.296 28.738 -0.050 0.000 0.899 665 Q HN 0.511 nan 8.270 nan 0.000 0.423 666 V N 0.399 120.332 119.914 0.032 0.000 2.515 666 V HA -0.271 3.898 4.120 0.082 0.000 0.250 666 V C 2.366 178.533 176.094 0.122 0.000 1.058 666 V CA 1.425 63.778 62.300 0.089 0.000 1.064 666 V CB -0.520 31.356 31.823 0.089 0.000 0.675 666 V HN 0.579 nan 8.190 nan 0.000 0.461 667 C N -0.371 119.002 119.300 0.121 0.000 2.425 667 C HA -0.099 4.410 4.460 0.082 0.000 0.277 667 C C 2.573 177.637 174.990 0.123 0.000 1.280 667 C CA 0.886 59.988 59.018 0.140 0.000 1.744 667 C CB -1.059 26.793 27.740 0.186 0.000 1.989 667 C HN 0.568 nan 8.230 nan 0.000 0.491 668 L N 0.806 122.108 121.223 0.132 0.000 2.093 668 L HA -0.048 4.341 4.340 0.082 0.000 0.208 668 L C 2.965 179.877 176.870 0.070 0.000 1.085 668 L CA 1.456 56.358 54.840 0.103 0.000 0.755 668 L CB -0.635 41.499 42.059 0.126 0.000 0.904 668 L HN 0.439 nan 8.230 nan 0.000 0.435 669 A N -0.092 122.773 122.820 0.074 0.000 1.930 669 A HA -0.134 4.235 4.320 0.082 0.000 0.217 669 A C 2.512 180.122 177.584 0.045 0.000 1.175 669 A CA 1.555 53.624 52.037 0.053 0.000 0.627 669 A CB -0.566 18.471 19.000 0.062 0.000 0.815 669 A HN 0.397 nan 8.150 nan 0.000 0.443 670 A N -0.448 122.407 122.820 0.059 0.000 1.877 670 A HA -0.017 4.352 4.320 0.082 0.000 0.216 670 A C 2.233 179.834 177.584 0.027 0.000 1.186 670 A CA 1.806 53.869 52.037 0.043 0.000 0.620 670 A CB -1.059 17.971 19.000 0.051 0.000 0.822 670 A HN 0.381 nan 8.150 nan 0.000 0.443 671 V N 0.079 120.010 119.914 0.029 0.000 2.287 671 V HA -0.237 3.932 4.120 0.082 0.000 0.248 671 V C 2.846 178.938 176.094 -0.004 0.000 1.053 671 V CA 2.145 64.449 62.300 0.006 0.000 1.027 671 V CB -1.538 30.283 31.823 -0.004 0.000 0.646 671 V HN 0.634 nan 8.190 nan 0.000 0.447 672 G N -0.643 108.158 108.800 0.001 0.000 2.442 672 G HA2 -0.292 3.717 3.960 0.082 0.000 0.219 672 G HA3 -0.292 3.717 3.960 0.082 0.000 0.219 672 G C 1.668 176.558 174.900 -0.017 0.000 1.141 672 G CA 1.192 46.286 45.100 -0.009 0.000 0.763 672 G HN 0.491 nan 8.290 nan 0.000 0.554 673 L N 0.427 121.646 121.223 -0.007 0.000 2.046 673 L HA -0.060 4.329 4.340 0.082 0.000 0.208 673 L C 2.904 179.765 176.870 -0.015 0.000 1.077 673 L CA 0.936 55.768 54.840 -0.014 0.000 0.747 673 L CB -0.188 41.891 42.059 0.032 0.000 0.896 673 L HN 0.111 nan 8.230 nan 0.000 0.432 674 V N 0.339 120.254 119.914 0.001 0.000 2.332 674 V HA -0.279 3.890 4.120 0.082 0.000 0.248 674 V C 2.640 178.733 176.094 -0.003 0.000 1.055 674 V CA 1.994 64.297 62.300 0.006 0.000 1.038 674 V CB -1.460 30.374 31.823 0.018 0.000 0.651 674 V HN 0.685 nan 8.190 nan 0.000 0.450 675 G N -0.615 108.178 108.800 -0.012 0.000 2.432 675 G HA2 -0.232 3.777 3.960 0.082 0.000 0.219 675 G HA3 -0.232 3.777 3.960 0.082 0.000 0.219 675 G C 1.250 176.132 174.900 -0.031 0.000 1.135 675 G CA 1.004 46.094 45.100 -0.017 0.000 0.767 675 G HN 0.540 nan 8.290 nan 0.000 0.550 676 D N 0.285 120.654 120.400 -0.052 0.000 2.194 676 D HA 0.014 4.703 4.640 0.082 0.000 0.204 676 D C 2.620 178.863 176.300 -0.095 0.000 0.964 676 D CA 0.187 54.138 54.000 -0.082 0.000 0.846 676 D CB 0.046 40.776 40.800 -0.117 0.000 0.962 676 D HN 0.279 nan 8.370 nan 0.000 0.490 677 L N 0.581 121.754 121.223 -0.084 0.000 2.093 677 L HA -0.161 4.228 4.340 0.082 0.000 0.208 677 L C 2.653 179.511 176.870 -0.020 0.000 1.085 677 L CA 0.730 55.528 54.840 -0.071 0.000 0.755 677 L CB -0.304 41.734 42.059 -0.035 0.000 0.904 677 L HN 0.125 nan 8.230 nan 0.000 0.435 678 C N -0.130 119.168 119.300 -0.003 0.000 2.432 678 C HA -0.158 4.351 4.460 0.082 0.000 0.277 678 C C 2.874 177.871 174.990 0.011 0.000 1.249 678 C CA 0.770 59.800 59.018 0.019 0.000 1.725 678 C CB -0.957 26.797 27.740 0.023 0.000 2.028 678 C HN 0.455 nan 8.230 nan 0.000 0.477 679 R N 0.890 121.385 120.500 -0.009 0.000 2.115 679 R HA -0.015 4.374 4.340 0.082 0.000 0.230 679 R C 2.240 178.538 176.300 -0.004 0.000 1.111 679 R CA 1.414 57.508 56.100 -0.010 0.000 0.976 679 R CB -0.327 29.960 30.300 -0.023 0.000 0.870 679 R HN 0.562 nan 8.270 nan 0.000 0.445 680 A N 0.741 123.554 122.820 -0.012 0.000 1.903 680 A HA 0.035 4.405 4.320 0.082 0.000 0.213 680 A C 2.015 179.626 177.584 0.045 0.000 1.185 680 A CA 0.709 52.750 52.037 0.007 0.000 0.628 680 A CB -0.140 18.842 19.000 -0.030 0.000 0.830 680 A HN 0.131 nan 8.150 nan 0.000 0.446 681 L N -1.603 119.649 121.223 0.048 0.000 2.307 681 L HA -0.019 4.370 4.340 0.082 0.000 0.211 681 L C 1.068 177.980 176.870 0.070 0.000 1.099 681 L CA 0.264 55.148 54.840 0.073 0.000 0.816 681 L CB -0.374 41.730 42.059 0.075 0.000 0.952 681 L HN 0.432 nan 8.230 nan 0.000 0.455 682 Q N -0.362 119.472 119.800 0.057 0.000 1.221 682 Q HA -0.319 4.070 4.340 0.082 0.000 0.317 682 Q C 1.500 177.546 176.000 0.076 0.000 0.997 682 Q CA 1.637 57.473 55.803 0.055 0.000 0.719 682 Q CB -1.451 27.315 28.738 0.047 0.000 4.255 682 Q HN 0.451 nan 8.270 nan 0.000 0.500 683 S N 0.867 116.610 115.700 0.072 0.000 2.440 683 S HA -0.101 4.418 4.470 0.082 0.000 0.238 683 S C 1.146 175.815 174.600 0.114 0.000 1.010 683 S CA 1.533 59.784 58.200 0.085 0.000 0.972 683 S CB -0.286 62.952 63.200 0.064 0.000 0.774 683 S HN 0.439 nan 8.310 nan 0.000 0.501 684 N N 1.289 120.061 118.700 0.120 0.000 2.635 684 N HA 0.087 4.876 4.740 0.082 0.000 0.191 684 N C 1.227 176.893 175.510 0.261 0.000 1.155 684 N CA 0.661 53.811 53.050 0.166 0.000 0.927 684 N CB -0.230 38.345 38.487 0.147 0.000 0.976 684 N HN 0.571 nan 8.380 nan 0.000 0.448 685 I N 0.227 120.933 120.570 0.226 0.000 3.728 685 I HA 0.038 4.258 4.170 0.082 0.000 0.307 685 I C 1.628 177.957 176.117 0.354 0.000 1.276 685 I CA 0.061 61.542 61.300 0.301 0.000 1.285 685 I CB 0.195 38.291 38.000 0.160 0.000 1.038 685 I HN -0.060 nan 8.210 nan 0.000 0.445 686 I N 2.982 123.696 120.570 0.240 0.000 2.145 686 I HA -0.226 3.993 4.170 0.082 0.000 0.244 686 I C -0.339 175.863 176.117 0.142 0.000 1.075 686 I CA 1.628 63.036 61.300 0.180 0.000 1.332 686 I CB -1.816 36.257 38.000 0.121 0.000 1.033 686 I HN 0.251 nan 8.210 nan 0.000 0.410 687 P HA -0.163 nan 4.420 nan 0.000 0.221 687 P C 1.186 178.314 177.300 -0.287 0.000 1.145 687 P CA 1.696 64.697 63.100 -0.166 0.000 0.795 687 P CB -0.151 31.347 31.700 -0.337 0.000 0.775 688 F N -1.714 118.272 119.950 0.059 0.000 2.721 688 F HA 0.154 4.730 4.527 0.082 0.000 0.301 688 F C 2.393 178.228 175.800 0.058 0.000 1.096 688 F CA -0.175 57.856 58.000 0.052 0.000 1.308 688 F CB -1.292 37.741 39.000 0.055 0.000 1.086 688 F HN -0.059 nan 8.300 nan 0.000 0.587 689 C N 0.457 119.900 119.300 0.237 0.000 2.435 689 C HA -0.154 4.355 4.460 0.082 0.000 0.279 689 C C 2.421 177.496 174.990 0.142 0.000 1.321 689 C CA 0.975 60.101 59.018 0.180 0.000 1.752 689 C CB -0.642 27.222 27.740 0.207 0.000 1.959 689 C HN 0.430 nan 8.230 nan 0.000 0.500 690 D N 0.780 121.274 120.400 0.157 0.000 2.144 690 D HA -0.116 4.573 4.640 0.082 0.000 0.199 690 D C 1.989 178.348 176.300 0.099 0.000 0.984 690 D CA 1.230 55.327 54.000 0.160 0.000 0.834 690 D CB -0.406 40.457 40.800 0.105 0.000 0.955 690 D HN 0.655 nan 8.370 nan 0.000 0.465 691 E N 0.476 120.726 120.200 0.083 0.000 2.028 691 E HA -0.079 4.321 4.350 0.082 0.000 0.190 691 E C 2.416 179.056 176.600 0.067 0.000 0.984 691 E CA 0.485 56.926 56.400 0.069 0.000 0.800 691 E CB 0.010 29.752 29.700 0.070 0.000 0.758 691 E HN 0.022 nan 8.360 nan 0.000 0.448 692 V N 1.489 121.451 119.914 0.079 0.000 2.287 692 V HA -0.279 3.890 4.120 0.082 0.000 0.248 692 V C 2.333 178.458 176.094 0.053 0.000 1.053 692 V CA 1.456 63.797 62.300 0.068 0.000 1.027 692 V CB -0.370 31.502 31.823 0.081 0.000 0.646 692 V HN 0.341 nan 8.190 nan 0.000 0.447 693 M N -0.646 118.954 119.600 -0.000 0.000 2.213 693 M HA -0.202 4.327 4.480 0.082 0.000 0.263 693 M C 2.195 178.492 176.300 -0.006 0.000 1.062 693 M CA 1.579 56.826 55.300 -0.088 0.000 1.105 693 M CB -1.185 31.126 32.600 -0.481 0.000 1.385 693 M HN 0.484 nan 8.290 nan 0.000 0.417 694 Q N 0.305 120.123 119.800 0.030 0.000 2.050 694 Q HA -0.151 4.238 4.340 0.082 0.000 0.202 694 Q C 2.084 178.121 176.000 0.063 0.000 0.980 694 Q CA 1.313 57.148 55.803 0.052 0.000 0.840 694 Q CB 0.005 28.777 28.738 0.056 0.000 0.898 694 Q HN 0.483 nan 8.270 nan 0.000 0.424 695 L N 0.322 121.585 121.223 0.067 0.000 2.093 695 L HA -0.181 4.208 4.340 0.082 0.000 0.208 695 L C 2.433 179.355 176.870 0.087 0.000 1.085 695 L CA 0.674 55.561 54.840 0.078 0.000 0.755 695 L CB -0.405 41.699 42.059 0.075 0.000 0.904 695 L HN 0.305 nan 8.230 nan 0.000 0.435 696 L N -0.392 120.889 121.223 0.097 0.000 2.056 696 L HA -0.212 4.177 4.340 0.082 0.000 0.207 696 L C 2.507 179.463 176.870 0.144 0.000 1.078 696 L CA 1.174 56.080 54.840 0.109 0.000 0.749 696 L CB -0.403 41.756 42.059 0.167 0.000 0.901 696 L HN 0.278 nan 8.230 nan 0.000 0.433 697 L N -0.672 120.654 121.223 0.172 0.000 2.093 697 L HA -0.168 4.221 4.340 0.082 0.000 0.208 697 L C 2.460 179.381 176.870 0.086 0.000 1.085 697 L CA 1.086 56.021 54.840 0.157 0.000 0.755 697 L CB -0.477 41.639 42.059 0.096 0.000 0.904 697 L HN 0.283 nan 8.230 nan 0.000 0.435 698 E N 0.263 120.504 120.200 0.070 0.000 2.077 698 E HA -0.209 4.191 4.350 0.082 0.000 0.193 698 E C 1.878 178.490 176.600 0.020 0.000 0.989 698 E CA 1.319 57.748 56.400 0.048 0.000 0.800 698 E CB -0.096 29.643 29.700 0.065 0.000 0.746 698 E HN 0.432 nan 8.360 nan 0.000 0.452 699 N N 0.624 119.340 118.700 0.028 0.000 2.084 699 N HA -0.133 4.656 4.740 0.082 0.000 0.190 699 N C 1.789 177.266 175.510 -0.056 0.000 1.030 699 N CA 0.832 53.866 53.050 -0.028 0.000 0.849 699 N CB -0.119 38.380 38.487 0.019 0.000 1.012 699 N HN 0.055 nan 8.380 nan 0.000 0.423 700 L N -0.539 120.678 121.223 -0.009 0.000 1.989 700 L HA -0.127 4.262 4.340 0.082 0.000 0.211 700 L C 2.051 178.910 176.870 -0.018 0.000 1.071 700 L CA 1.480 56.316 54.840 -0.007 0.000 0.749 700 L CB -0.846 41.242 42.059 0.048 0.000 0.890 700 L HN 0.310 nan 8.230 nan 0.000 0.431 701 G N -1.110 107.687 108.800 -0.006 0.000 2.956 701 G HA2 -0.146 3.864 3.960 0.082 0.000 0.207 701 G HA3 -0.146 3.864 3.960 0.082 0.000 0.207 701 G C 0.559 175.434 174.900 -0.041 0.000 1.162 701 G CA -0.167 44.924 45.100 -0.014 0.000 0.796 701 G HN 0.196 nan 8.290 nan 0.000 0.527 702 N N 1.518 120.168 118.700 -0.083 0.000 2.500 702 N HA 0.058 4.848 4.740 0.082 0.000 0.236 702 N C 1.168 176.583 175.510 -0.158 0.000 1.022 702 N CA -0.235 52.731 53.050 -0.140 0.000 0.935 702 N CB 0.693 39.026 38.487 -0.257 0.000 1.147 702 N HN 0.530 nan 8.380 nan 0.000 0.512 703 E N 1.656 121.796 120.200 -0.100 0.000 2.520 703 E HA -0.046 4.353 4.350 0.082 0.000 0.201 703 E C -0.115 176.431 176.600 -0.089 0.000 1.122 703 E CA 0.413 56.762 56.400 -0.084 0.000 0.896 703 E CB -0.021 29.649 29.700 -0.049 0.000 0.891 703 E HN 0.370 nan 8.360 nan 0.000 0.533 704 N N 0.502 119.117 118.700 -0.141 0.000 2.220 704 N HA 0.065 4.855 4.740 0.082 0.000 0.195 704 N C -0.252 175.181 175.510 -0.127 0.000 1.123 704 N CA 0.045 53.040 53.050 -0.091 0.000 0.874 704 N CB 1.110 39.579 38.487 -0.029 0.000 0.995 704 N HN 0.013 nan 8.380 nan 0.000 0.498 705 V N 1.985 121.738 119.914 -0.269 0.000 2.583 705 V HA 0.010 4.179 4.120 0.082 0.000 0.287 705 V C 0.583 176.672 176.094 -0.008 0.000 1.051 705 V CA -0.545 61.646 62.300 -0.182 0.000 1.010 705 V CB 0.570 32.237 31.823 -0.259 0.000 0.988 705 V HN 0.286 nan 8.190 nan 0.000 0.478 706 H N 4.420 123.505 119.070 0.025 0.000 3.016 706 H HA 0.005 4.610 4.556 0.082 0.000 0.345 706 H C 1.547 176.799 175.328 -0.127 0.000 1.066 706 H CA 0.919 56.920 56.048 -0.079 0.000 1.390 706 H CB 0.567 30.209 29.762 -0.201 0.000 1.344 706 H HN 0.657 nan 8.280 nan 0.000 0.605 707 R N 1.553 121.519 120.500 -0.891 0.000 2.115 707 R HA -0.080 4.309 4.340 0.082 0.000 0.230 707 R C 1.367 177.481 176.300 -0.310 0.000 1.111 707 R CA 1.597 57.332 56.100 -0.608 0.000 0.976 707 R CB -0.267 29.490 30.300 -0.905 0.000 0.870 707 R HN 0.385 nan 8.270 nan 0.000 0.445 708 S N 0.433 115.882 115.700 -0.418 0.000 2.595 708 S HA 0.035 4.554 4.470 0.082 0.000 0.235 708 S C 1.488 176.134 174.600 0.077 0.000 0.974 708 S CA 0.650 58.861 58.200 0.019 0.000 0.942 708 S CB 0.291 63.552 63.200 0.101 0.000 0.766 708 S HN 0.204 nan 8.310 nan 0.000 0.536 709 V N 0.876 120.822 119.914 0.053 0.000 2.825 709 V HA 0.021 4.190 4.120 0.082 0.000 0.246 709 V C 2.224 178.319 176.094 0.002 0.000 1.068 709 V CA 0.865 63.200 62.300 0.059 0.000 1.088 709 V CB -0.289 31.591 31.823 0.096 0.000 0.733 709 V HN 0.356 nan 8.190 nan 0.000 0.468 710 K N 1.150 121.550 120.400 0.001 0.000 2.000 710 K HA -0.209 4.160 4.320 0.082 0.000 0.218 710 K C -0.163 176.390 176.600 -0.078 0.000 1.053 710 K CA 2.457 58.727 56.287 -0.029 0.000 0.946 710 K CB -1.158 31.358 32.500 0.027 0.000 0.723 710 K HN 0.404 nan 8.250 nan 0.000 0.446 711 P HA -0.177 nan 4.420 nan 0.000 0.218 711 P C 1.091 178.327 177.300 -0.108 0.000 1.149 711 P CA 1.324 64.359 63.100 -0.108 0.000 0.817 711 P CB -0.003 31.617 31.700 -0.133 0.000 0.785 712 Q N -0.256 119.497 119.800 -0.079 0.000 2.119 712 Q HA -0.054 4.335 4.340 0.082 0.000 0.201 712 Q C 2.362 178.275 176.000 -0.146 0.000 0.972 712 Q CA 1.034 56.790 55.803 -0.078 0.000 0.847 712 Q CB -0.545 28.175 28.738 -0.031 0.000 0.903 712 Q HN 0.371 nan 8.270 nan 0.000 0.433 713 I N 0.184 120.630 120.570 -0.207 0.000 2.233 713 I HA -0.267 3.952 4.170 0.082 0.000 0.243 713 I C 2.228 177.933 176.117 -0.687 0.000 1.093 713 I CA 0.667 61.731 61.300 -0.392 0.000 1.380 713 I CB -0.260 37.519 38.000 -0.369 0.000 1.067 713 I HN 0.138 nan 8.210 nan 0.000 0.413 714 L N -0.185 120.735 121.223 -0.504 0.000 2.042 714 L HA -0.239 4.150 4.340 0.082 0.000 0.210 714 L C 2.709 179.435 176.870 -0.241 0.000 1.076 714 L CA 1.392 55.979 54.840 -0.423 0.000 0.749 714 L CB -0.622 41.329 42.059 -0.179 0.000 0.893 714 L HN 0.235 nan 8.230 nan 0.000 0.432 715 S N -0.729 114.864 115.700 -0.178 0.000 2.402 715 S HA -0.145 4.374 4.470 0.082 0.000 0.229 715 S C 1.886 176.441 174.600 -0.075 0.000 1.021 715 S CA 1.023 59.169 58.200 -0.091 0.000 0.974 715 S CB -0.076 63.080 63.200 -0.073 0.000 0.800 715 S HN 0.235 nan 8.310 nan 0.000 0.484 716 V N 1.068 120.901 119.914 -0.134 0.000 2.667 716 V HA -0.005 4.164 4.120 0.082 0.000 0.252 716 V C 1.782 177.923 176.094 0.077 0.000 1.065 716 V CA 1.308 63.573 62.300 -0.059 0.000 1.083 716 V CB -0.757 31.012 31.823 -0.089 0.000 0.692 716 V HN 0.524 nan 8.190 nan 0.000 0.468 717 F N 1.433 121.375 119.950 -0.014 0.000 2.161 717 F HA -0.033 4.544 4.527 0.082 0.000 0.300 717 F C 2.391 178.117 175.800 -0.124 0.000 1.089 717 F CA 1.150 59.158 58.000 0.013 0.000 1.282 717 F CB -1.559 37.474 39.000 0.057 0.000 1.010 717 F HN 0.277 nan 8.300 nan 0.000 0.485 718 G N -0.516 108.327 108.800 0.072 0.000 2.402 718 G HA2 -0.196 3.813 3.960 0.082 0.000 0.216 718 G HA3 -0.196 3.813 3.960 0.082 0.000 0.216 718 G C 1.488 176.350 174.900 -0.064 0.000 1.162 718 G CA 0.822 45.893 45.100 -0.048 0.000 0.777 718 G HN 0.225 nan 8.290 nan 0.000 0.539 719 D N 0.667 121.059 120.400 -0.014 0.000 2.117 719 D HA -0.061 4.628 4.640 0.082 0.000 0.197 719 D C 2.575 178.875 176.300 0.000 0.000 0.987 719 D CA 0.521 54.515 54.000 -0.010 0.000 0.829 719 D CB -0.064 40.737 40.800 0.002 0.000 0.961 719 D HN 0.345 nan 8.370 nan 0.000 0.460 720 I N 1.357 121.952 120.570 0.041 0.000 2.226 720 I HA -0.251 3.969 4.170 0.082 0.000 0.245 720 I C 2.572 178.703 176.117 0.024 0.000 1.100 720 I CA 0.943 62.300 61.300 0.095 0.000 1.374 720 I CB -0.218 37.916 38.000 0.224 0.000 1.057 720 I HN -0.089 nan 8.210 nan 0.000 0.413 721 A N 0.925 123.575 122.820 -0.282 0.000 1.908 721 A HA -0.186 4.183 4.320 0.082 0.000 0.218 721 A C 2.328 179.805 177.584 -0.178 0.000 1.181 721 A CA 1.464 53.171 52.037 -0.549 0.000 0.627 721 A CB -0.874 17.493 19.000 -1.056 0.000 0.818 721 A HN 0.383 nan 8.150 nan 0.000 0.445 722 L N -1.073 120.076 121.223 -0.123 0.000 2.046 722 L HA -0.214 4.175 4.340 0.082 0.000 0.208 722 L C 3.072 179.934 176.870 -0.013 0.000 1.077 722 L CA 1.192 56.000 54.840 -0.054 0.000 0.747 722 L CB -0.462 41.574 42.059 -0.040 0.000 0.896 722 L HN 0.481 nan 8.230 nan 0.000 0.432 723 A N 0.226 123.052 122.820 0.010 0.000 1.930 723 A HA -0.104 4.265 4.320 0.082 0.000 0.215 723 A C 2.049 179.673 177.584 0.066 0.000 1.176 723 A CA 1.425 53.487 52.037 0.041 0.000 0.632 723 A CB -0.408 18.625 19.000 0.055 0.000 0.819 723 A HN 0.568 nan 8.150 nan 0.000 0.445 724 I N -4.382 116.247 120.570 0.098 0.000 3.968 724 I HA 0.423 4.642 4.170 0.082 0.000 0.328 724 I C 1.356 177.540 176.117 0.112 0.000 1.290 724 I CA 0.616 61.995 61.300 0.131 0.000 1.163 724 I CB -0.263 37.864 38.000 0.211 0.000 1.024 724 I HN 0.366 nan 8.210 nan 0.000 0.413 725 G N 2.215 111.063 108.800 0.079 0.000 2.690 725 G HA2 -0.456 3.553 3.960 0.082 0.000 0.334 725 G HA3 -0.456 3.553 3.960 0.082 0.000 0.334 725 G C 1.111 176.064 174.900 0.088 0.000 1.250 725 G CA 0.884 46.010 45.100 0.044 0.000 0.994 725 G HN 0.606 nan 8.290 nan 0.000 0.549 726 G N -0.399 108.405 108.800 0.007 0.000 2.503 726 G HA2 -0.142 3.867 3.960 0.082 0.000 0.221 726 G HA3 -0.142 3.867 3.960 0.082 0.000 0.221 726 G C 1.446 176.385 174.900 0.066 0.000 1.131 726 G CA 1.651 46.757 45.100 0.010 0.000 0.756 726 G HN 0.694 nan 8.290 nan 0.000 0.572 727 E N -0.229 120.019 120.200 0.080 0.000 2.396 727 E HA -0.097 4.302 4.350 0.082 0.000 0.200 727 E C 1.797 178.459 176.600 0.103 0.000 1.023 727 E CA 0.220 56.663 56.400 0.072 0.000 0.857 727 E CB -0.238 29.520 29.700 0.097 0.000 0.775 727 E HN 0.561 nan 8.360 nan 0.000 0.525 728 F N 1.535 121.523 119.950 0.062 0.000 2.604 728 F HA -0.042 4.535 4.527 0.082 0.000 0.298 728 F C 1.931 177.759 175.800 0.047 0.000 1.131 728 F CA 0.717 58.799 58.000 0.137 0.000 1.457 728 F CB 0.195 39.272 39.000 0.128 0.000 1.095 728 F HN -0.133 nan 8.300 nan 0.000 0.574 729 K N 0.294 120.717 120.400 0.039 0.000 2.089 729 K HA -0.272 4.097 4.320 0.082 0.000 0.210 729 K C 1.891 178.369 176.600 -0.203 0.000 1.048 729 K CA 2.010 58.278 56.287 -0.031 0.000 0.926 729 K CB -0.125 32.369 32.500 -0.011 0.000 0.714 729 K HN 0.203 nan 8.250 nan 0.000 0.448 730 K N -0.087 120.083 120.400 -0.382 0.000 2.074 730 K HA -0.192 4.177 4.320 0.082 0.000 0.209 730 K C 1.832 178.083 176.600 -0.581 0.000 1.048 730 K CA 1.845 57.806 56.287 -0.543 0.000 0.926 730 K CB -0.281 31.725 32.500 -0.823 0.000 0.713 730 K HN 0.257 nan 8.250 nan 0.000 0.444 731 Y N 0.322 120.344 120.300 -0.462 0.000 2.523 731 Y HA 0.131 4.730 4.550 0.082 0.000 0.279 731 Y C 1.698 177.338 175.900 -0.434 0.000 1.139 731 Y CA -0.049 57.721 58.100 -0.549 0.000 1.296 731 Y CB -0.408 37.502 38.460 -0.917 0.000 1.045 731 Y HN -0.071 nan 8.280 nan 0.000 0.538 732 L N 0.351 121.459 121.223 -0.191 0.000 2.034 732 L HA -0.341 4.048 4.340 0.082 0.000 0.217 732 L C 2.562 179.431 176.870 -0.002 0.000 1.077 732 L CA 2.061 56.907 54.840 0.008 0.000 0.769 732 L CB -0.389 41.716 42.059 0.077 0.000 0.890 732 L HN 0.312 nan 8.230 nan 0.000 0.435 733 E N -0.381 119.794 120.200 -0.040 0.000 2.038 733 E HA -0.212 4.187 4.350 0.082 0.000 0.195 733 E C 2.108 178.685 176.600 -0.038 0.000 1.000 733 E CA 1.944 58.323 56.400 -0.034 0.000 0.803 733 E CB 0.085 29.757 29.700 -0.046 0.000 0.750 733 E HN 0.317 nan 8.360 nan 0.000 0.448 734 V N 0.302 120.183 119.914 -0.055 0.000 2.343 734 V HA -0.219 3.951 4.120 0.082 0.000 0.247 734 V C 2.393 178.448 176.094 -0.064 0.000 1.051 734 V CA 1.373 63.641 62.300 -0.054 0.000 1.036 734 V CB -0.502 31.288 31.823 -0.055 0.000 0.654 734 V HN 0.178 nan 8.190 nan 0.000 0.451 735 V N -0.065 119.785 119.914 -0.107 0.000 2.307 735 V HA -0.199 3.970 4.120 0.082 0.000 0.245 735 V C 2.354 178.450 176.094 0.004 0.000 1.045 735 V CA 1.869 64.104 62.300 -0.108 0.000 1.024 735 V CB -0.504 31.236 31.823 -0.139 0.000 0.651 735 V HN 0.429 nan 8.190 nan 0.000 0.449 736 L N 0.139 121.382 121.223 0.033 0.000 2.093 736 L HA -0.141 4.248 4.340 0.082 0.000 0.208 736 L C 2.473 179.336 176.870 -0.012 0.000 1.085 736 L CA 1.313 56.185 54.840 0.052 0.000 0.755 736 L CB -0.768 41.340 42.059 0.082 0.000 0.904 736 L HN 0.388 nan 8.230 nan 0.000 0.435 737 N N -0.451 118.231 118.700 -0.030 0.000 2.120 737 N HA -0.147 4.642 4.740 0.082 0.000 0.188 737 N C 1.850 177.338 175.510 -0.037 0.000 1.024 737 N CA 1.851 54.869 53.050 -0.053 0.000 0.852 737 N CB -0.469 37.993 38.487 -0.042 0.000 1.003 737 N HN 0.258 nan 8.380 nan 0.000 0.424 738 T N 2.105 116.655 114.554 -0.007 0.000 2.746 738 T HA 0.006 4.405 4.350 0.082 0.000 0.267 738 T C 2.141 176.843 174.700 0.003 0.000 1.039 738 T CA 0.599 62.712 62.100 0.021 0.000 1.142 738 T CB -0.178 68.742 68.868 0.087 0.000 0.866 738 T HN 0.139 nan 8.240 nan 0.000 0.444 739 L N 0.771 121.984 121.223 -0.017 0.000 2.083 739 L HA -0.121 4.268 4.340 0.082 0.000 0.209 739 L C 2.884 179.737 176.870 -0.029 0.000 1.083 739 L CA 1.288 56.080 54.840 -0.081 0.000 0.752 739 L CB -0.503 41.406 42.059 -0.249 0.000 0.899 739 L HN 0.343 nan 8.230 nan 0.000 0.433 740 Q N -0.127 119.650 119.800 -0.039 0.000 2.084 740 Q HA -0.253 4.137 4.340 0.082 0.000 0.202 740 Q C 2.199 178.200 176.000 0.001 0.000 0.978 740 Q CA 1.605 57.352 55.803 -0.094 0.000 0.844 740 Q CB 0.049 28.573 28.738 -0.357 0.000 0.898 740 Q HN 0.543 nan 8.270 nan 0.000 0.426 741 Q N -0.187 119.598 119.800 -0.025 0.000 1.993 741 Q HA -0.179 4.210 4.340 0.082 0.000 0.202 741 Q C 2.155 178.153 176.000 -0.003 0.000 0.984 741 Q CA 1.455 57.255 55.803 -0.005 0.000 0.837 741 Q CB -0.261 28.473 28.738 -0.007 0.000 0.902 741 Q HN 0.488 nan 8.270 nan 0.000 0.423 742 A N 1.335 124.143 122.820 -0.020 0.000 1.873 742 A HA -0.275 4.094 4.320 0.082 0.000 0.218 742 A C 2.261 179.811 177.584 -0.057 0.000 1.193 742 A CA 2.310 54.328 52.037 -0.031 0.000 0.629 742 A CB -1.113 17.859 19.000 -0.046 0.000 0.826 742 A HN 0.526 nan 8.150 nan 0.000 0.447 743 S N -0.573 115.037 115.700 -0.151 0.000 2.440 743 S HA -0.239 4.280 4.470 0.082 0.000 0.240 743 S C 1.505 176.013 174.600 -0.154 0.000 1.014 743 S CA 1.627 59.577 58.200 -0.416 0.000 0.980 743 S CB -0.501 62.165 63.200 -0.890 0.000 0.775 743 S HN 0.709 nan 8.310 nan 0.000 0.499 744 Q N 0.834 120.621 119.800 -0.021 0.000 2.246 744 Q HA 0.475 4.865 4.340 0.082 0.000 0.202 744 Q C 0.449 176.475 176.000 0.043 0.000 0.883 744 Q CA 0.007 55.829 55.803 0.031 0.000 0.952 744 Q CB 0.363 29.136 28.738 0.058 0.000 1.078 744 Q HN 0.708 nan 8.270 nan 0.000 0.493 745 A N 2.284 125.133 122.820 0.048 0.000 2.511 745 A HA 0.148 4.518 4.320 0.082 0.000 0.242 745 A C -0.035 177.601 177.584 0.086 0.000 1.069 745 A CA 0.116 52.189 52.037 0.061 0.000 0.763 745 A CB 0.094 19.127 19.000 0.055 0.000 1.001 745 A HN 0.331 nan 8.150 nan 0.000 0.498 746 Q N 0.985 120.834 119.800 0.081 0.000 2.263 746 Q HA 0.603 4.992 4.340 0.082 0.000 0.266 746 Q C -0.893 175.157 176.000 0.083 0.000 1.002 746 Q CA -0.906 54.952 55.803 0.092 0.000 0.790 746 Q CB 1.419 30.207 28.738 0.084 0.000 1.272 746 Q HN 0.863 nan 8.270 nan 0.000 0.435 747 V N -1.009 118.959 119.914 0.089 0.000 3.267 747 V HA 0.544 4.713 4.120 0.082 0.000 0.317 747 V C -0.265 175.871 176.094 0.070 0.000 1.131 747 V CA -0.854 61.493 62.300 0.078 0.000 1.031 747 V CB 1.713 33.592 31.823 0.094 0.000 1.159 747 V HN 0.932 nan 8.190 nan 0.000 0.454 748 D N 0.200 120.635 120.400 0.059 0.000 2.336 748 D HA 0.131 4.820 4.640 0.082 0.000 0.249 748 D C 0.467 176.805 176.300 0.063 0.000 1.213 748 D CA -0.383 53.652 54.000 0.058 0.000 0.870 748 D CB 1.393 42.223 40.800 0.051 0.000 1.076 748 D HN 0.662 nan 8.370 nan 0.000 0.483 749 K N 1.568 122.006 120.400 0.063 0.000 2.589 749 K HA -0.123 4.246 4.320 0.082 0.000 0.195 749 K C 1.568 178.208 176.600 0.067 0.000 1.040 749 K CA 0.338 56.663 56.287 0.063 0.000 0.950 749 K CB 0.033 32.564 32.500 0.052 0.000 0.781 749 K HN 0.336 nan 8.250 nan 0.000 0.486 750 S N 0.824 116.564 115.700 0.066 0.000 2.446 750 S HA -0.086 4.434 4.470 0.082 0.000 0.225 750 S C 0.453 175.101 174.600 0.081 0.000 1.016 750 S CA 0.270 58.511 58.200 0.068 0.000 0.943 750 S CB 0.126 63.364 63.200 0.063 0.000 0.786 750 S HN 0.207 nan 8.310 nan 0.000 0.508 751 D N 0.316 120.765 120.400 0.082 0.000 2.316 751 D HA 0.121 4.810 4.640 0.082 0.000 0.245 751 D C 0.395 176.774 176.300 0.131 0.000 1.171 751 D CA -0.450 53.606 54.000 0.092 0.000 0.856 751 D CB 0.767 41.602 40.800 0.057 0.000 1.090 751 D HN 0.271 nan 8.370 nan 0.000 0.476 752 Y N 4.079 124.386 120.300 0.012 0.000 2.242 752 Y HA -0.145 4.455 4.550 0.083 0.000 0.291 752 Y C 1.403 177.315 175.900 0.021 0.000 1.137 752 Y CA 1.565 59.671 58.100 0.011 0.000 1.181 752 Y CB 0.278 38.736 38.460 -0.002 0.000 0.989 752 Y HN 0.438 nan 8.280 nan 0.000 0.527 753 D N -0.625 119.741 120.400 -0.057 0.000 2.149 753 D HA -0.141 4.548 4.640 0.082 0.000 0.201 753 D C 2.010 178.266 176.300 -0.073 0.000 0.972 753 D CA 1.131 55.049 54.000 -0.137 0.000 0.835 753 D CB 0.012 40.782 40.800 -0.050 0.000 0.966 753 D HN 0.360 nan 8.370 nan 0.000 0.476 754 M N 0.567 120.159 119.600 -0.012 0.000 2.349 754 M HA -0.041 4.488 4.480 0.082 0.000 0.266 754 M C 2.286 178.637 176.300 0.084 0.000 1.076 754 M CA 0.387 55.716 55.300 0.048 0.000 1.126 754 M CB -0.529 32.094 32.600 0.037 0.000 1.392 754 M HN -0.128 nan 8.290 nan 0.000 0.440 755 V N 0.737 120.666 119.914 0.026 0.000 2.323 755 V HA -0.244 3.926 4.120 0.082 0.000 0.244 755 V C 1.910 177.990 176.094 -0.022 0.000 1.041 755 V CA 1.735 64.049 62.300 0.023 0.000 1.025 755 V CB -0.561 31.292 31.823 0.051 0.000 0.656 755 V HN 0.333 nan 8.190 nan 0.000 0.451 756 D N -0.950 119.378 120.400 -0.121 0.000 2.149 756 D HA -0.219 4.471 4.640 0.082 0.000 0.198 756 D C 1.925 178.202 176.300 -0.039 0.000 0.990 756 D CA 1.558 55.479 54.000 -0.131 0.000 0.839 756 D CB -0.306 40.338 40.800 -0.260 0.000 0.948 756 D HN 0.561 nan 8.370 nan 0.000 0.460 757 Y N 1.493 121.727 120.300 -0.110 0.000 2.128 757 Y HA -0.211 4.388 4.550 0.082 0.000 0.284 757 Y C 2.200 178.073 175.900 -0.046 0.000 1.154 757 Y CA 1.030 59.081 58.100 -0.083 0.000 1.149 757 Y CB -0.548 37.857 38.460 -0.092 0.000 0.976 757 Y HN -0.069 nan 8.280 nan 0.000 0.505 758 L N 1.013 122.183 121.223 -0.089 0.000 2.042 758 L HA -0.240 4.149 4.340 0.082 0.000 0.210 758 L C 2.015 178.815 176.870 -0.116 0.000 1.076 758 L CA 1.994 56.760 54.840 -0.122 0.000 0.749 758 L CB -1.090 40.982 42.059 0.021 0.000 0.893 758 L HN 0.253 nan 8.230 nan 0.000 0.432 759 N N -0.239 118.416 118.700 -0.074 0.000 2.084 759 N HA -0.241 4.549 4.740 0.082 0.000 0.190 759 N C 1.811 177.272 175.510 -0.082 0.000 1.030 759 N CA 1.611 54.632 53.050 -0.049 0.000 0.849 759 N CB -0.128 38.341 38.487 -0.029 0.000 1.012 759 N HN 0.558 nan 8.380 nan 0.000 0.423 760 E N 0.597 120.718 120.200 -0.133 0.000 2.058 760 E HA -0.184 4.215 4.350 0.082 0.000 0.194 760 E C 2.047 178.542 176.600 -0.174 0.000 0.997 760 E CA 0.796 57.113 56.400 -0.139 0.000 0.801 760 E CB -0.056 29.557 29.700 -0.145 0.000 0.746 760 E HN 0.091 nan 8.360 nan 0.000 0.450 761 L N 1.277 122.313 121.223 -0.311 0.000 2.017 761 L HA -0.174 4.215 4.340 0.082 0.000 0.208 761 L C 2.352 179.181 176.870 -0.068 0.000 1.073 761 L CA 1.753 56.430 54.840 -0.271 0.000 0.745 761 L CB -0.302 41.496 42.059 -0.435 0.000 0.894 761 L HN 0.014 nan 8.230 nan 0.000 0.432 762 R N -0.654 119.850 120.500 0.006 0.000 2.081 762 R HA -0.205 4.184 4.340 0.082 0.000 0.235 762 R C 2.271 178.656 176.300 0.141 0.000 1.131 762 R CA 1.648 57.860 56.100 0.187 0.000 0.960 762 R CB -0.378 30.012 30.300 0.150 0.000 0.856 762 R HN 0.549 nan 8.270 nan 0.000 0.436 763 E N 0.532 120.753 120.200 0.034 0.000 2.077 763 E HA -0.194 4.205 4.350 0.082 0.000 0.193 763 E C 1.955 178.576 176.600 0.036 0.000 0.989 763 E CA 1.652 58.065 56.400 0.021 0.000 0.800 763 E CB 0.033 29.724 29.700 -0.016 0.000 0.746 763 E HN 0.297 nan 8.360 nan 0.000 0.452 764 S N -0.261 115.439 115.700 0.000 0.000 2.382 764 S HA -0.184 4.336 4.470 0.082 0.000 0.228 764 S C 2.251 176.853 174.600 0.004 0.000 1.027 764 S CA 1.282 59.470 58.200 -0.019 0.000 0.991 764 S CB -0.772 62.386 63.200 -0.069 0.000 0.823 764 S HN 0.469 nan 8.310 nan 0.000 0.469 765 C N 1.353 120.683 119.300 0.050 0.000 2.432 765 C HA 0.138 4.647 4.460 0.082 0.000 0.277 765 C C 2.713 177.794 174.990 0.151 0.000 1.249 765 C CA 0.681 59.720 59.018 0.035 0.000 1.725 765 C CB -1.659 26.154 27.740 0.122 0.000 2.028 765 C HN 0.615 nan 8.230 nan 0.000 0.477 766 L N 0.606 122.013 121.223 0.307 0.000 2.079 766 L HA -0.199 4.190 4.340 0.082 0.000 0.210 766 L C 2.600 179.601 176.870 0.217 0.000 1.081 766 L CA 1.659 56.698 54.840 0.331 0.000 0.752 766 L CB -0.761 41.412 42.059 0.191 0.000 0.896 766 L HN 0.477 nan 8.230 nan 0.000 0.433 767 E N 0.075 120.344 120.200 0.115 0.000 2.072 767 E HA -0.174 4.226 4.350 0.082 0.000 0.191 767 E C 2.353 178.990 176.600 0.061 0.000 0.985 767 E CA 0.997 57.441 56.400 0.072 0.000 0.801 767 E CB -0.161 29.555 29.700 0.026 0.000 0.750 767 E HN 0.498 nan 8.360 nan 0.000 0.452 768 A N 0.991 123.824 122.820 0.021 0.000 1.865 768 A HA -0.217 4.153 4.320 0.082 0.000 0.217 768 A C 1.904 179.507 177.584 0.032 0.000 1.191 768 A CA 1.408 53.440 52.037 -0.008 0.000 0.623 768 A CB -0.909 18.053 19.000 -0.063 0.000 0.826 768 A HN 0.231 nan 8.150 nan 0.000 0.444 769 Y N 0.763 121.137 120.300 0.124 0.000 2.114 769 Y HA -0.197 4.402 4.550 0.082 0.000 0.282 769 Y C 3.038 179.002 175.900 0.108 0.000 1.165 769 Y CA 1.641 59.823 58.100 0.135 0.000 1.148 769 Y CB -1.333 37.237 38.460 0.184 0.000 0.972 769 Y HN 0.299 nan 8.280 nan 0.000 0.504 770 T N -0.708 114.005 114.554 0.265 0.000 2.720 770 T HA -0.184 4.215 4.350 0.082 0.000 0.268 770 T C 2.226 176.986 174.700 0.099 0.000 1.037 770 T CA 1.536 63.739 62.100 0.172 0.000 1.144 770 T CB -0.938 68.009 68.868 0.133 0.000 0.864 770 T HN 0.578 nan 8.240 nan 0.000 0.444 771 G N 0.921 109.752 108.800 0.051 0.000 2.402 771 G HA2 -0.104 3.906 3.960 0.082 0.000 0.216 771 G HA3 -0.104 3.906 3.960 0.082 0.000 0.216 771 G C 1.547 176.400 174.900 -0.078 0.000 1.162 771 G CA 0.407 45.491 45.100 -0.027 0.000 0.777 771 G HN 0.477 nan 8.290 nan 0.000 0.539 772 I N 0.262 120.796 120.570 -0.060 0.000 2.142 772 I HA -0.158 4.061 4.170 0.082 0.000 0.240 772 I C 2.808 178.950 176.117 0.042 0.000 1.078 772 I CA 0.558 61.814 61.300 -0.073 0.000 1.343 772 I CB -0.318 37.719 38.000 0.061 0.000 1.046 772 I HN 0.023 nan 8.210 nan 0.000 0.405 773 V N 0.353 120.340 119.914 0.123 0.000 2.255 773 V HA -0.300 3.870 4.120 0.082 0.000 0.247 773 V C 2.538 178.662 176.094 0.050 0.000 1.051 773 V CA 1.743 64.119 62.300 0.127 0.000 1.018 773 V CB -0.695 31.242 31.823 0.189 0.000 0.641 773 V HN 0.449 nan 8.190 nan 0.000 0.445 774 Q N 0.138 119.966 119.800 0.046 0.000 2.084 774 Q HA -0.131 4.258 4.340 0.082 0.000 0.202 774 Q C 2.416 178.413 176.000 -0.005 0.000 0.978 774 Q CA 1.947 57.763 55.803 0.022 0.000 0.844 774 Q CB -0.971 27.781 28.738 0.023 0.000 0.898 774 Q HN 0.694 nan 8.270 nan 0.000 0.426 775 G N 0.409 109.194 108.800 -0.026 0.000 2.422 775 G HA2 -0.193 3.816 3.960 0.082 0.000 0.218 775 G HA3 -0.193 3.816 3.960 0.082 0.000 0.218 775 G C 1.357 176.243 174.900 -0.024 0.000 1.146 775 G CA 0.389 45.465 45.100 -0.041 0.000 0.769 775 G HN 0.221 nan 8.290 nan 0.000 0.547 776 L N 0.510 121.733 121.223 0.000 0.000 2.179 776 L HA 0.187 4.576 4.340 0.082 0.000 0.208 776 L C 2.582 179.459 176.870 0.012 0.000 1.096 776 L CA 1.402 56.254 54.840 0.020 0.000 0.779 776 L CB -0.646 41.459 42.059 0.076 0.000 0.922 776 L HN 0.260 nan 8.230 nan 0.000 0.443 777 K N -0.463 119.936 120.400 -0.002 0.000 2.097 777 K HA 0.084 4.453 4.320 0.082 0.000 0.205 777 K C 0.678 177.295 176.600 0.028 0.000 1.050 777 K CA 0.885 57.171 56.287 -0.001 0.000 0.938 777 K CB 0.042 32.518 32.500 -0.041 0.000 0.718 777 K HN 0.345 nan 8.250 nan 0.000 0.442 778 G N 1.207 110.006 108.800 -0.002 0.000 2.662 778 G HA2 -0.172 3.837 3.960 0.082 0.000 0.686 778 G HA3 -0.172 3.837 3.960 0.082 0.000 0.686 778 G C -0.757 174.146 174.900 0.006 0.000 1.271 778 G CA -0.140 44.956 45.100 -0.006 0.000 0.816 778 G HN 0.435 nan 8.290 nan 0.000 0.608 779 D N 0.228 120.631 120.400 0.005 0.000 2.706 779 D HA 0.221 4.910 4.640 0.082 0.000 0.236 779 D C 0.289 176.597 176.300 0.014 0.000 1.231 779 D CA 0.167 54.171 54.000 0.007 0.000 0.828 779 D CB 0.424 41.225 40.800 0.001 0.000 1.015 779 D HN 0.392 nan 8.370 nan 0.000 0.484 780 Q N 0.111 119.924 119.800 0.022 0.000 2.496 780 Q HA 0.269 4.658 4.340 0.082 0.000 0.286 780 Q C 0.036 176.052 176.000 0.027 0.000 1.103 780 Q CA -0.614 55.205 55.803 0.025 0.000 0.813 780 Q CB 1.497 30.254 28.738 0.032 0.000 1.444 780 Q HN 0.178 nan 8.270 nan 0.000 0.443 781 E N 1.012 121.227 120.200 0.024 0.000 2.379 781 E HA -0.007 4.393 4.350 0.082 0.000 0.209 781 E C -0.649 175.963 176.600 0.020 0.000 1.284 781 E CA 0.018 56.432 56.400 0.023 0.000 1.333 781 E CB -0.576 29.137 29.700 0.021 0.000 1.307 781 E HN 0.358 nan 8.360 nan 0.000 0.441 782 N N -2.335 116.379 118.700 0.023 0.000 2.629 782 N HA 0.102 4.891 4.740 0.082 0.000 0.277 782 N C -0.989 174.536 175.510 0.025 0.000 1.188 782 N CA -0.612 52.449 53.050 0.019 0.000 0.835 782 N CB 1.062 39.562 38.487 0.022 0.000 1.420 782 N HN -0.224 nan 8.380 nan 0.000 0.542 783 V N 1.937 121.853 119.914 0.003 0.000 2.475 783 V HA -0.060 4.109 4.120 0.082 0.000 0.292 783 V C 0.704 176.805 176.094 0.013 0.000 1.003 783 V CA 0.239 62.534 62.300 -0.009 0.000 1.120 783 V CB -0.817 30.969 31.823 -0.061 0.000 0.937 783 V HN 0.767 nan 8.190 nan 0.000 0.476 784 H N 8.069 127.116 119.070 -0.038 0.000 2.764 784 H HA 0.183 4.788 4.556 0.082 0.000 0.341 784 H C -1.516 173.800 175.328 -0.020 0.000 1.072 784 H CA -1.247 54.789 56.048 -0.019 0.000 1.444 784 H CB 1.367 31.125 29.762 -0.007 0.000 1.458 784 H HN 0.386 nan 8.280 nan 0.000 0.572 785 P HA -0.229 nan 4.420 nan 0.000 0.217 785 P C 0.913 178.259 177.300 0.076 0.000 1.151 785 P CA 1.501 64.547 63.100 -0.091 0.000 0.849 785 P CB 0.266 31.857 31.700 -0.181 0.000 0.787 786 D N -0.952 119.607 120.400 0.266 0.000 2.228 786 D HA -0.122 4.567 4.640 0.082 0.000 0.203 786 D C 1.888 178.285 176.300 0.163 0.000 0.988 786 D CA 0.958 55.098 54.000 0.233 0.000 0.864 786 D CB -0.567 40.391 40.800 0.264 0.000 0.928 786 D HN 0.043 nan 8.370 nan 0.000 0.469 787 V N 1.307 121.294 119.914 0.123 0.000 2.453 787 V HA -0.268 3.901 4.120 0.082 0.000 0.252 787 V C 2.435 178.648 176.094 0.198 0.000 1.068 787 V CA 1.136 63.474 62.300 0.063 0.000 1.070 787 V CB -0.382 31.330 31.823 -0.186 0.000 0.664 787 V HN 0.239 nan 8.190 nan 0.000 0.461 788 M N -0.812 118.896 119.600 0.180 0.000 2.346 788 M HA -0.128 4.402 4.480 0.082 0.000 0.263 788 M C 2.074 178.495 176.300 0.202 0.000 1.064 788 M CA 1.530 56.972 55.300 0.237 0.000 1.083 788 M CB -1.190 31.494 32.600 0.141 0.000 1.399 788 M HN 0.340 nan 8.290 nan 0.000 0.435 789 L N -1.004 120.321 121.223 0.170 0.000 2.131 789 L HA -0.152 4.238 4.340 0.082 0.000 0.210 789 L C 1.995 178.953 176.870 0.147 0.000 1.092 789 L CA 0.684 55.604 54.840 0.134 0.000 0.759 789 L CB -0.470 41.662 42.059 0.122 0.000 0.903 789 L HN 0.055 nan 8.230 nan 0.000 0.435 790 V N -1.084 118.959 119.914 0.215 0.000 3.647 790 V HA -0.039 4.130 4.120 0.082 0.000 0.279 790 V C 2.061 178.238 176.094 0.139 0.000 1.314 790 V CA 0.272 62.695 62.300 0.206 0.000 1.125 790 V CB 0.184 32.176 31.823 0.281 0.000 0.907 790 V HN 0.403 nan 8.190 nan 0.000 0.434 791 Q N 2.064 121.968 119.800 0.172 0.000 2.135 791 Q HA -0.148 4.241 4.340 0.082 0.000 0.204 791 Q C -0.365 175.519 176.000 -0.195 0.000 0.981 791 Q CA 2.092 57.812 55.803 -0.139 0.000 0.856 791 Q CB -0.941 27.880 28.738 0.139 0.000 0.902 791 Q HN 0.519 nan 8.270 nan 0.000 0.425 792 P HA -0.015 nan 4.420 nan 0.000 0.242 792 P C 0.448 177.717 177.300 -0.052 0.000 1.197 792 P CA 0.529 63.596 63.100 -0.054 0.000 0.765 792 P CB -0.020 31.671 31.700 -0.014 0.000 0.936 793 R N -0.747 119.716 120.500 -0.063 0.000 2.334 793 R HA 0.146 4.535 4.340 0.082 0.000 0.212 793 R C 1.943 178.208 176.300 -0.058 0.000 0.897 793 R CA 0.085 56.171 56.100 -0.025 0.000 1.056 793 R CB -0.761 29.548 30.300 0.016 0.000 1.046 793 R HN 0.109 nan 8.270 nan 0.000 0.513 794 V N 1.458 121.257 119.914 -0.190 0.000 2.282 794 V HA -0.281 3.888 4.120 0.082 0.000 0.249 794 V C 2.406 178.432 176.094 -0.113 0.000 1.057 794 V CA 2.179 64.336 62.300 -0.238 0.000 1.032 794 V CB -0.386 31.172 31.823 -0.442 0.000 0.645 794 V HN 0.366 nan 8.190 nan 0.000 0.447 795 E N -0.600 119.561 120.200 -0.065 0.000 2.077 795 E HA -0.262 4.138 4.350 0.082 0.000 0.193 795 E C 2.069 178.685 176.600 0.026 0.000 0.989 795 E CA 1.563 57.951 56.400 -0.019 0.000 0.800 795 E CB -0.218 29.480 29.700 -0.002 0.000 0.746 795 E HN 0.551 nan 8.360 nan 0.000 0.452 796 F N 1.387 121.301 119.950 -0.060 0.000 2.069 796 F HA -0.232 4.344 4.527 0.082 0.000 0.298 796 F C 1.952 177.750 175.800 -0.005 0.000 1.113 796 F CA 1.780 59.764 58.000 -0.027 0.000 1.214 796 F CB -0.281 38.695 39.000 -0.040 0.000 0.978 796 F HN 0.019 nan 8.300 nan 0.000 0.474 797 I N 0.057 120.627 120.570 0.001 0.000 2.118 797 I HA -0.375 3.844 4.170 0.082 0.000 0.241 797 I C 2.476 178.557 176.117 -0.061 0.000 1.070 797 I CA 1.663 62.900 61.300 -0.105 0.000 1.327 797 I CB -0.784 37.060 38.000 -0.259 0.000 1.034 797 I HN 0.205 nan 8.210 nan 0.000 0.405 798 L N -0.076 121.103 121.223 -0.073 0.000 2.042 798 L HA -0.249 4.141 4.340 0.082 0.000 0.210 798 L C 2.778 179.608 176.870 -0.066 0.000 1.076 798 L CA 1.602 56.404 54.840 -0.064 0.000 0.749 798 L CB -0.620 41.406 42.059 -0.055 0.000 0.893 798 L HN 0.296 nan 8.230 nan 0.000 0.432 799 S N -0.195 115.457 115.700 -0.081 0.000 2.368 799 S HA -0.217 4.302 4.470 0.082 0.000 0.224 799 S C 1.990 176.556 174.600 -0.058 0.000 1.029 799 S CA 1.068 59.222 58.200 -0.078 0.000 0.988 799 S CB -0.355 62.781 63.200 -0.107 0.000 0.838 799 S HN 0.429 nan 8.310 nan 0.000 0.462 800 F N 2.103 121.858 119.950 -0.326 0.000 2.171 800 F HA 0.045 4.622 4.527 0.082 0.000 0.300 800 F C 1.720 177.480 175.800 -0.067 0.000 1.090 800 F CA 1.216 59.059 58.000 -0.261 0.000 1.293 800 F CB -0.603 38.175 39.000 -0.370 0.000 1.013 800 F HN 0.252 nan 8.300 nan 0.000 0.486 801 I N -0.035 120.365 120.570 -0.284 0.000 2.439 801 I HA -0.207 4.012 4.170 0.082 0.000 0.251 801 I C 2.171 178.185 176.117 -0.171 0.000 1.139 801 I CA 1.347 62.442 61.300 -0.342 0.000 1.438 801 I CB -0.544 37.330 38.000 -0.210 0.000 1.085 801 I HN 0.104 nan 8.210 nan 0.000 0.427 802 D N 0.692 121.043 120.400 -0.081 0.000 2.087 802 D HA -0.308 4.381 4.640 0.082 0.000 0.192 802 D C 2.121 178.426 176.300 0.008 0.000 0.993 802 D CA 1.807 55.794 54.000 -0.022 0.000 0.828 802 D CB -0.122 40.678 40.800 0.000 0.000 0.968 802 D HN 0.360 nan 8.370 nan 0.000 0.448 803 H N -0.103 118.937 119.070 -0.051 0.000 2.352 803 H HA -0.023 4.582 4.556 0.082 0.000 0.299 803 H C 2.262 177.579 175.328 -0.019 0.000 1.097 803 H CA 1.713 57.751 56.048 -0.016 0.000 1.311 803 H CB -0.459 29.317 29.762 0.023 0.000 1.377 803 H HN 0.207 nan 8.280 nan 0.000 0.504 804 I N 0.023 120.512 120.570 -0.134 0.000 2.208 804 I HA -0.304 3.915 4.170 0.082 0.000 0.245 804 I C 2.637 178.784 176.117 0.049 0.000 1.097 804 I CA 1.045 62.259 61.300 -0.144 0.000 1.363 804 I CB -0.472 37.362 38.000 -0.277 0.000 1.051 804 I HN 0.481 nan 8.210 nan 0.000 0.413 805 A N 0.525 123.374 122.820 0.048 0.000 1.877 805 A HA -0.119 4.250 4.320 0.082 0.000 0.216 805 A C 1.999 179.614 177.584 0.052 0.000 1.186 805 A CA 1.691 53.847 52.037 0.198 0.000 0.620 805 A CB -1.300 17.731 19.000 0.051 0.000 0.822 805 A HN 0.455 nan 8.150 nan 0.000 0.443 806 G N -0.112 108.645 108.800 -0.070 0.000 3.353 806 G HA2 0.386 4.396 3.960 0.082 0.000 0.247 806 G HA3 0.386 4.396 3.960 0.082 0.000 0.247 806 G C -0.701 174.056 174.900 -0.239 0.000 1.025 806 G CA 0.532 45.556 45.100 -0.127 0.000 1.863 806 G HN 0.403 nan 8.290 nan 0.000 0.635 807 D N -0.735 119.476 120.400 -0.316 0.000 2.478 807 D HA 0.168 4.857 4.640 0.082 0.000 0.240 807 D C 1.117 177.143 176.300 -0.457 0.000 1.364 807 D CA -0.574 53.227 54.000 -0.330 0.000 0.987 807 D CB 1.044 41.668 40.800 -0.292 0.000 1.328 807 D HN 0.120 nan 8.370 nan 0.000 0.584 808 E N 1.635 121.660 120.200 -0.293 0.000 2.333 808 E HA -0.187 4.212 4.350 0.082 0.000 0.200 808 E C 0.321 176.797 176.600 -0.207 0.000 1.010 808 E CA 0.998 57.244 56.400 -0.256 0.000 0.841 808 E CB 0.265 29.887 29.700 -0.130 0.000 0.757 808 E HN 0.573 nan 8.360 nan 0.000 0.508 809 D N -0.817 119.490 120.400 -0.155 0.000 2.087 809 D HA -0.064 4.626 4.640 0.082 0.000 0.203 809 D C 0.542 176.868 176.300 0.044 0.000 0.976 809 D CA 1.318 55.296 54.000 -0.036 0.000 0.865 809 D CB -0.150 40.650 40.800 0.001 0.000 1.005 809 D HN 0.196 nan 8.370 nan 0.000 0.449 810 H N -1.161 117.885 119.070 -0.041 0.000 1.452 810 H HA -0.241 4.364 4.556 0.082 0.000 0.090 810 H C -0.183 175.127 175.328 -0.031 0.000 2.870 810 H CA 0.821 56.841 56.048 -0.047 0.000 1.901 810 H CB -0.841 28.892 29.762 -0.048 0.000 2.257 810 H HN 0.424 nan 8.280 nan 0.000 0.961 811 T N -1.294 113.329 114.554 0.115 0.000 3.177 811 T HA -0.050 4.349 4.350 0.082 0.000 0.398 811 T C -0.221 174.465 174.700 -0.023 0.000 1.697 811 T CA 0.083 62.204 62.100 0.035 0.000 1.019 811 T CB 0.118 68.996 68.868 0.015 0.000 1.762 811 T HN 0.586 nan 8.240 nan 0.000 0.486 812 D N 2.269 122.659 120.400 -0.016 0.000 2.228 812 D HA -0.071 4.619 4.640 0.082 0.000 0.203 812 D C 2.023 178.296 176.300 -0.045 0.000 0.988 812 D CA 1.932 55.911 54.000 -0.035 0.000 0.864 812 D CB -0.386 40.405 40.800 -0.016 0.000 0.928 812 D HN 0.760 nan 8.370 nan 0.000 0.469 813 G N 0.781 109.561 108.800 -0.034 0.000 2.418 813 G HA2 -0.190 3.819 3.960 0.082 0.000 0.217 813 G HA3 -0.190 3.819 3.960 0.082 0.000 0.217 813 G C 1.901 176.772 174.900 -0.049 0.000 1.158 813 G CA 0.445 45.525 45.100 -0.033 0.000 0.771 813 G HN 0.226 nan 8.290 nan 0.000 0.545 814 V N 0.451 120.323 119.914 -0.070 0.000 2.358 814 V HA -0.136 4.033 4.120 0.082 0.000 0.246 814 V C 3.048 179.050 176.094 -0.154 0.000 1.047 814 V CA 1.346 63.585 62.300 -0.102 0.000 1.035 814 V CB -0.141 31.615 31.823 -0.112 0.000 0.658 814 V HN 0.241 nan 8.190 nan 0.000 0.452 815 V N 0.432 120.225 119.914 -0.201 0.000 2.332 815 V HA -0.274 3.895 4.120 0.082 0.000 0.248 815 V C 2.687 178.714 176.094 -0.113 0.000 1.055 815 V CA 2.030 64.198 62.300 -0.221 0.000 1.038 815 V CB -1.201 30.487 31.823 -0.224 0.000 0.651 815 V HN 0.559 nan 8.190 nan 0.000 0.450 816 A N -0.759 122.019 122.820 -0.070 0.000 1.858 816 A HA -0.263 4.107 4.320 0.082 0.000 0.216 816 A C 2.374 179.957 177.584 -0.003 0.000 1.190 816 A CA 2.301 54.323 52.037 -0.025 0.000 0.617 816 A CB -1.215 17.774 19.000 -0.018 0.000 0.827 816 A HN 0.587 nan 8.150 nan 0.000 0.443 817 C N -0.960 118.333 119.300 -0.011 0.000 2.425 817 C HA 0.078 4.588 4.460 0.082 0.000 0.277 817 C C 3.309 178.315 174.990 0.026 0.000 1.280 817 C CA 0.705 59.734 59.018 0.018 0.000 1.744 817 C CB -1.405 26.345 27.740 0.017 0.000 1.989 817 C HN 0.694 nan 8.230 nan 0.000 0.491 818 A N 0.500 123.303 122.820 -0.029 0.000 1.930 818 A HA 0.109 4.479 4.320 0.082 0.000 0.217 818 A C 2.353 179.929 177.584 -0.013 0.000 1.175 818 A CA 1.945 53.953 52.037 -0.049 0.000 0.627 818 A CB -0.782 18.134 19.000 -0.140 0.000 0.815 818 A HN 0.557 nan 8.150 nan 0.000 0.443 819 A N -0.387 122.431 122.820 -0.004 0.000 1.873 819 A HA 0.151 4.520 4.320 0.082 0.000 0.215 819 A C 2.427 180.085 177.584 0.123 0.000 1.186 819 A CA 1.841 53.895 52.037 0.029 0.000 0.616 819 A CB -1.421 17.598 19.000 0.032 0.000 0.823 819 A HN 0.725 nan 8.150 nan 0.000 0.442 820 G N -0.393 108.510 108.800 0.172 0.000 2.442 820 G HA2 -0.215 3.795 3.960 0.082 0.000 0.219 820 G HA3 -0.215 3.795 3.960 0.082 0.000 0.219 820 G C 1.576 176.654 174.900 0.298 0.000 1.141 820 G CA 1.007 46.288 45.100 0.301 0.000 0.763 820 G HN 0.426 nan 8.290 nan 0.000 0.554 821 L N -0.008 121.319 121.223 0.173 0.000 2.056 821 L HA 0.062 4.451 4.340 0.082 0.000 0.207 821 L C 2.835 179.775 176.870 0.116 0.000 1.078 821 L CA 0.918 55.853 54.840 0.158 0.000 0.749 821 L CB -0.202 41.940 42.059 0.137 0.000 0.901 821 L HN 0.228 nan 8.230 nan 0.000 0.433 822 I N -0.323 120.280 120.570 0.055 0.000 2.208 822 I HA -0.244 3.975 4.170 0.082 0.000 0.245 822 I C 2.531 178.614 176.117 -0.058 0.000 1.097 822 I CA 1.420 62.717 61.300 -0.005 0.000 1.363 822 I CB -0.746 37.227 38.000 -0.045 0.000 1.051 822 I HN 0.320 nan 8.210 nan 0.000 0.413 823 G N 0.148 108.871 108.800 -0.128 0.000 2.422 823 G HA2 -0.222 3.788 3.960 0.082 0.000 0.218 823 G HA3 -0.222 3.788 3.960 0.082 0.000 0.218 823 G C 1.294 176.092 174.900 -0.170 0.000 1.146 823 G CA 0.814 45.603 45.100 -0.517 0.000 0.769 823 G HN 0.307 nan 8.290 nan 0.000 0.547 824 D N 0.590 121.101 120.400 0.187 0.000 2.117 824 D HA -0.050 4.640 4.640 0.082 0.000 0.198 824 D C 2.667 179.057 176.300 0.150 0.000 0.982 824 D CA 0.469 54.615 54.000 0.244 0.000 0.828 824 D CB -0.129 40.817 40.800 0.242 0.000 0.967 824 D HN 0.298 nan 8.370 nan 0.000 0.464 825 L N 0.487 121.807 121.223 0.162 0.000 2.083 825 L HA -0.166 4.223 4.340 0.082 0.000 0.209 825 L C 2.766 179.763 176.870 0.211 0.000 1.083 825 L CA 0.685 55.691 54.840 0.278 0.000 0.752 825 L CB -0.486 41.708 42.059 0.224 0.000 0.899 825 L HN 0.117 nan 8.230 nan 0.000 0.433 826 C N -0.798 118.538 119.300 0.060 0.000 2.413 826 C HA -0.222 4.287 4.460 0.082 0.000 0.277 826 C C 3.148 178.142 174.990 0.007 0.000 1.228 826 C CA 1.763 60.783 59.018 0.004 0.000 1.731 826 C CB -0.897 26.773 27.740 -0.116 0.000 2.042 826 C HN 0.571 nan 8.230 nan 0.000 0.468 827 T N -0.126 114.427 114.554 -0.002 0.000 2.915 827 T HA -0.020 4.379 4.350 0.082 0.000 0.269 827 T C 1.633 176.310 174.700 -0.039 0.000 1.071 827 T CA 1.783 63.890 62.100 0.011 0.000 1.132 827 T CB -0.175 68.745 68.868 0.086 0.000 0.878 827 T HN 0.526 nan 8.240 nan 0.000 0.479 828 A N -0.443 122.316 122.820 -0.102 0.000 1.911 828 A HA 0.353 4.722 4.320 0.082 0.000 0.212 828 A C 1.613 178.858 177.584 -0.565 0.000 1.189 828 A CA 0.603 52.413 52.037 -0.379 0.000 0.639 828 A CB -0.358 18.294 19.000 -0.579 0.000 0.839 828 A HN 0.569 nan 8.150 nan 0.000 0.449 829 F N -1.049 118.916 119.950 0.025 0.000 2.717 829 F HA 0.432 5.008 4.527 0.082 0.000 0.297 829 F C 1.652 177.457 175.800 0.007 0.000 1.113 829 F CA 0.352 58.362 58.000 0.018 0.000 1.319 829 F CB -0.050 38.960 39.000 0.016 0.000 1.097 829 F HN 0.461 nan 8.300 nan 0.000 0.595 830 G N 1.146 110.028 108.800 0.137 0.000 2.593 830 G HA2 -0.429 3.581 3.960 0.082 0.000 0.237 830 G HA3 -0.429 3.581 3.960 0.082 0.000 0.237 830 G C 0.757 175.697 174.900 0.066 0.000 1.312 830 G CA 0.233 45.377 45.100 0.074 0.000 0.896 830 G HN 0.280 nan 8.290 nan 0.000 0.574 831 K N 0.010 120.433 120.400 0.039 0.000 2.081 831 K HA -0.268 4.101 4.320 0.082 0.000 0.222 831 K C 1.957 178.572 176.600 0.025 0.000 1.055 831 K CA 3.266 59.568 56.287 0.025 0.000 0.954 831 K CB -0.882 31.630 32.500 0.020 0.000 0.732 831 K HN 0.550 nan 8.250 nan 0.000 0.458 832 D N -0.297 120.124 120.400 0.034 0.000 2.271 832 D HA -0.129 4.561 4.640 0.082 0.000 0.207 832 D C 1.865 178.171 176.300 0.011 0.000 0.983 832 D CA 1.409 55.421 54.000 0.021 0.000 0.878 832 D CB -0.096 40.717 40.800 0.022 0.000 0.920 832 D HN 0.178 nan 8.370 nan 0.000 0.479 833 V N 1.275 121.204 119.914 0.025 0.000 2.594 833 V HA -0.186 3.983 4.120 0.082 0.000 0.253 833 V C 2.519 178.611 176.094 -0.004 0.000 1.069 833 V CA 0.755 63.062 62.300 0.010 0.000 1.082 833 V CB -0.332 31.517 31.823 0.044 0.000 0.680 833 V HN 0.250 nan 8.190 nan 0.000 0.469 834 L N -0.059 121.163 121.223 -0.002 0.000 2.017 834 L HA -0.237 4.153 4.340 0.082 0.000 0.208 834 L C 2.667 179.532 176.870 -0.007 0.000 1.073 834 L CA 1.960 56.796 54.840 -0.007 0.000 0.745 834 L CB -0.259 41.796 42.059 -0.007 0.000 0.894 834 L HN 0.347 nan 8.230 nan 0.000 0.432 835 K N -0.122 120.274 120.400 -0.007 0.000 2.026 835 K HA -0.187 4.182 4.320 0.082 0.000 0.208 835 K C 1.976 178.569 176.600 -0.012 0.000 1.048 835 K CA 1.328 57.610 56.287 -0.009 0.000 0.929 835 K CB -0.364 32.131 32.500 -0.008 0.000 0.713 835 K HN 0.264 nan 8.250 nan 0.000 0.439 836 L N 0.823 122.037 121.223 -0.016 0.000 2.042 836 L HA -0.189 4.200 4.340 0.082 0.000 0.210 836 L C 2.437 179.297 176.870 -0.018 0.000 1.076 836 L CA 0.913 55.740 54.840 -0.021 0.000 0.749 836 L CB -0.682 41.357 42.059 -0.033 0.000 0.893 836 L HN 0.009 nan 8.230 nan 0.000 0.432 837 V N 0.014 119.919 119.914 -0.015 0.000 2.270 837 V HA -0.245 3.925 4.120 0.082 0.000 0.245 837 V C 2.392 178.487 176.094 0.001 0.000 1.043 837 V CA 1.798 64.092 62.300 -0.010 0.000 1.014 837 V CB -0.415 31.402 31.823 -0.010 0.000 0.645 837 V HN 0.451 nan 8.190 nan 0.000 0.447 838 E N 0.313 120.513 120.200 0.000 0.000 2.204 838 E HA -0.162 4.237 4.350 0.082 0.000 0.195 838 E C 2.033 178.626 176.600 -0.013 0.000 0.990 838 E CA 1.148 57.545 56.400 -0.004 0.000 0.821 838 E CB -0.278 29.416 29.700 -0.010 0.000 0.750 838 E HN 0.591 nan 8.360 nan 0.000 0.477 839 A N 1.059 123.873 122.820 -0.011 0.000 2.235 839 A HA -0.022 4.347 4.320 0.082 0.000 0.208 839 A C 0.906 178.485 177.584 -0.008 0.000 1.172 839 A CA 0.295 52.325 52.037 -0.012 0.000 0.786 839 A CB 0.029 19.023 19.000 -0.011 0.000 0.804 839 A HN 0.000 nan 8.150 nan 0.000 0.479 840 R N -0.082 120.415 120.500 -0.005 0.000 2.585 840 R HA 0.183 4.572 4.340 0.082 0.000 0.278 840 R C -2.052 174.255 176.300 0.011 0.000 1.663 840 R CA -1.612 54.488 56.100 0.001 0.000 1.592 840 R CB 0.969 31.267 30.300 -0.003 0.000 1.200 840 R HN 0.179 nan 8.270 nan 0.000 0.611 841 P HA -0.267 nan 4.420 nan 0.000 0.219 841 P C 1.062 178.395 177.300 0.054 0.000 1.151 841 P CA 1.484 64.590 63.100 0.010 0.000 0.850 841 P CB 0.257 31.947 31.700 -0.016 0.000 0.784 842 M N -1.481 118.143 119.600 0.039 0.000 2.394 842 M HA -0.015 4.514 4.480 0.082 0.000 0.264 842 M C 2.344 178.672 176.300 0.046 0.000 1.073 842 M CA 0.733 56.060 55.300 0.044 0.000 1.111 842 M CB -1.157 31.457 32.600 0.023 0.000 1.401 842 M HN 0.001 nan 8.290 nan 0.000 0.448 843 I N -0.894 119.699 120.570 0.037 0.000 2.252 843 I HA -0.319 3.901 4.170 0.082 0.000 0.245 843 I C 2.673 178.809 176.117 0.031 0.000 1.102 843 I CA 1.079 62.387 61.300 0.013 0.000 1.385 843 I CB -0.710 37.290 38.000 -0.000 0.000 1.064 843 I HN 0.374 nan 8.210 nan 0.000 0.414 844 H N 1.681 120.736 119.070 -0.024 0.000 2.387 844 H HA -0.175 4.430 4.556 0.082 0.000 0.299 844 H C 1.847 177.167 175.328 -0.014 0.000 1.099 844 H CA 1.601 57.637 56.048 -0.021 0.000 1.315 844 H CB 0.208 29.959 29.762 -0.017 0.000 1.380 844 H HN 0.314 nan 8.280 nan 0.000 0.513 845 E N 0.593 120.856 120.200 0.107 0.000 2.106 845 E HA -0.118 4.281 4.350 0.082 0.000 0.192 845 E C 2.494 179.086 176.600 -0.013 0.000 0.984 845 E CA 0.326 56.760 56.400 0.056 0.000 0.806 845 E CB -0.383 29.372 29.700 0.092 0.000 0.750 845 E HN 0.350 nan 8.360 nan 0.000 0.458 846 L N 0.995 122.209 121.223 -0.014 0.000 2.046 846 L HA -0.119 4.270 4.340 0.082 0.000 0.208 846 L C 2.224 179.041 176.870 -0.089 0.000 1.077 846 L CA 1.360 56.172 54.840 -0.048 0.000 0.747 846 L CB -0.611 41.401 42.059 -0.079 0.000 0.896 846 L HN 0.059 nan 8.230 nan 0.000 0.432 847 L N -1.557 119.597 121.223 -0.114 0.000 2.046 847 L HA -0.202 4.187 4.340 0.082 0.000 0.208 847 L C 2.340 179.127 176.870 -0.138 0.000 1.077 847 L CA 1.692 56.454 54.840 -0.129 0.000 0.747 847 L CB -1.107 40.857 42.059 -0.159 0.000 0.896 847 L HN 0.227 nan 8.230 nan 0.000 0.432 848 T N -0.915 113.525 114.554 -0.190 0.000 2.746 848 T HA -0.231 4.168 4.350 0.082 0.000 0.267 848 T C 1.806 176.464 174.700 -0.071 0.000 1.039 848 T CA 1.471 63.484 62.100 -0.146 0.000 1.142 848 T CB -0.096 68.675 68.868 -0.160 0.000 0.866 848 T HN 0.373 nan 8.240 nan 0.000 0.444 849 E N 0.303 120.471 120.200 -0.052 0.000 2.077 849 E HA -0.109 4.291 4.350 0.082 0.000 0.193 849 E C 2.411 178.993 176.600 -0.030 0.000 0.989 849 E CA 1.155 57.542 56.400 -0.021 0.000 0.800 849 E CB -0.382 29.324 29.700 0.010 0.000 0.746 849 E HN 0.518 nan 8.360 nan 0.000 0.452 850 G N 0.647 109.417 108.800 -0.050 0.000 2.408 850 G HA2 -0.231 3.778 3.960 0.082 0.000 0.217 850 G HA3 -0.231 3.778 3.960 0.082 0.000 0.217 850 G C 1.649 176.533 174.900 -0.027 0.000 1.150 850 G CA 0.352 45.426 45.100 -0.043 0.000 0.776 850 G HN 0.157 nan 8.290 nan 0.000 0.542 851 R N -0.223 120.258 120.500 -0.033 0.000 2.285 851 R HA 0.075 4.464 4.340 0.082 0.000 0.213 851 R C 2.605 178.896 176.300 -0.014 0.000 1.068 851 R CA 0.565 56.653 56.100 -0.021 0.000 1.004 851 R CB -0.034 30.247 30.300 -0.031 0.000 0.873 851 R HN 0.302 nan 8.270 nan 0.000 0.467 852 R N -0.471 120.020 120.500 -0.016 0.000 2.128 852 R HA 0.081 4.470 4.340 0.082 0.000 0.211 852 R C 1.090 177.386 176.300 -0.005 0.000 1.067 852 R CA 0.091 56.186 56.100 -0.008 0.000 1.010 852 R CB 0.004 30.300 30.300 -0.007 0.000 0.922 852 R HN -0.031 nan 8.270 nan 0.000 0.457 853 S N 1.067 116.763 115.700 -0.008 0.000 2.525 853 S HA -0.158 4.361 4.470 0.082 0.000 0.282 853 S C 1.248 175.846 174.600 -0.002 0.000 1.324 853 S CA 0.350 58.547 58.200 -0.006 0.000 1.025 853 S CB 0.691 63.885 63.200 -0.011 0.000 0.820 853 S HN 0.179 nan 8.310 nan 0.000 0.514 854 K N 1.665 122.064 120.400 -0.001 0.000 2.211 854 K HA 0.024 4.393 4.320 0.082 0.000 0.201 854 K C 0.258 176.859 176.600 0.002 0.000 1.052 854 K CA 0.646 56.934 56.287 0.002 0.000 0.973 854 K CB -0.729 31.773 32.500 0.003 0.000 0.766 854 K HN 0.710 nan 8.250 nan 0.000 0.466 855 T N 3.548 118.102 114.554 0.000 0.000 2.793 855 T HA -0.035 4.364 4.350 0.082 0.000 0.289 855 T C 1.005 175.704 174.700 -0.001 0.000 0.956 855 T CA 0.258 62.358 62.100 -0.000 0.000 1.177 855 T CB 0.428 69.294 68.868 -0.004 0.000 0.897 855 T HN 0.432 nan 8.240 nan 0.000 0.533 856 N N 4.592 123.292 118.700 0.001 0.000 2.149 856 N HA -0.202 4.587 4.740 0.082 0.000 0.188 856 N C 1.581 177.091 175.510 -0.001 0.000 1.019 856 N CA 1.326 54.376 53.050 0.001 0.000 0.857 856 N CB -0.083 38.404 38.487 -0.001 0.000 0.997 856 N HN 0.595 nan 8.380 nan 0.000 0.426 857 K N 0.119 120.516 120.400 -0.004 0.000 2.026 857 K HA -0.008 4.361 4.320 0.082 0.000 0.208 857 K C 1.987 178.588 176.600 0.001 0.000 1.048 857 K CA 1.317 57.600 56.287 -0.007 0.000 0.929 857 K CB -0.336 32.157 32.500 -0.011 0.000 0.713 857 K HN 0.321 nan 8.250 nan 0.000 0.439 858 A N 1.237 124.055 122.820 -0.003 0.000 1.969 858 A HA -0.109 4.261 4.320 0.082 0.000 0.218 858 A C 2.024 179.610 177.584 0.004 0.000 1.169 858 A CA 1.161 53.194 52.037 -0.006 0.000 0.635 858 A CB -0.262 18.726 19.000 -0.020 0.000 0.810 858 A HN 0.149 nan 8.150 nan 0.000 0.445 859 K N -0.638 119.766 120.400 0.007 0.000 2.116 859 K HA -0.042 4.328 4.320 0.082 0.000 0.203 859 K C 2.000 178.619 176.600 0.031 0.000 1.052 859 K CA 1.598 57.892 56.287 0.012 0.000 0.952 859 K CB -0.389 32.116 32.500 0.008 0.000 0.729 859 K HN 0.491 nan 8.250 nan 0.000 0.446 860 T N 2.160 116.733 114.554 0.033 0.000 2.668 860 T HA -0.047 4.352 4.350 0.082 0.000 0.262 860 T C 1.996 176.763 174.700 0.112 0.000 1.045 860 T CA 1.012 63.142 62.100 0.050 0.000 1.152 860 T CB -0.175 68.701 68.868 0.013 0.000 0.864 860 T HN 0.110 nan 8.240 nan 0.000 0.419 861 L N 0.810 122.096 121.223 0.106 0.000 2.093 861 L HA -0.032 4.358 4.340 0.082 0.000 0.208 861 L C 3.016 180.015 176.870 0.215 0.000 1.085 861 L CA 1.074 56.041 54.840 0.212 0.000 0.755 861 L CB -0.661 41.483 42.059 0.143 0.000 0.904 861 L HN 0.252 nan 8.230 nan 0.000 0.435 862 A N 0.048 122.927 122.820 0.098 0.000 1.969 862 A HA -0.205 4.164 4.320 0.082 0.000 0.218 862 A C 2.453 180.057 177.584 0.034 0.000 1.169 862 A CA 1.479 53.539 52.037 0.039 0.000 0.635 862 A CB -0.462 18.536 19.000 -0.004 0.000 0.810 862 A HN 0.351 nan 8.150 nan 0.000 0.445 863 R N -1.841 118.700 120.500 0.069 0.000 2.075 863 R HA -0.159 4.230 4.340 0.082 0.000 0.226 863 R C 2.000 178.360 176.300 0.099 0.000 1.114 863 R CA 1.579 57.715 56.100 0.060 0.000 0.972 863 R CB -0.444 29.895 30.300 0.065 0.000 0.869 863 R HN 0.665 nan 8.270 nan 0.000 0.437 864 W N 1.274 122.564 121.300 -0.016 0.000 2.358 864 W HA -0.112 4.597 4.660 0.082 0.000 0.303 864 W C 1.868 178.382 176.519 -0.009 0.000 1.208 864 W CA 1.940 59.279 57.345 -0.010 0.000 1.274 864 W CB -0.469 28.986 29.460 -0.008 0.000 1.138 864 W HN 0.203 nan 8.180 nan 0.000 0.515 865 A N -0.043 122.662 122.820 -0.192 0.000 1.877 865 A HA -0.191 4.179 4.320 0.082 0.000 0.216 865 A C 1.956 179.358 177.584 -0.303 0.000 1.186 865 A CA 2.536 54.318 52.037 -0.425 0.000 0.620 865 A CB -1.429 17.469 19.000 -0.171 0.000 0.822 865 A HN 0.307 nan 8.150 nan 0.000 0.443 866 T N -0.195 114.263 114.554 -0.161 0.000 2.720 866 T HA -0.193 4.206 4.350 0.082 0.000 0.268 866 T C 1.960 176.583 174.700 -0.130 0.000 1.037 866 T CA 1.818 63.846 62.100 -0.120 0.000 1.144 866 T CB -0.224 68.598 68.868 -0.077 0.000 0.864 866 T HN 0.656 nan 8.240 nan 0.000 0.444 867 K N 0.861 121.176 120.400 -0.141 0.000 2.009 867 K HA -0.177 4.193 4.320 0.082 0.000 0.210 867 K C 2.242 178.734 176.600 -0.179 0.000 1.049 867 K CA 1.430 57.643 56.287 -0.123 0.000 0.929 867 K CB -0.042 32.414 32.500 -0.075 0.000 0.714 867 K HN 0.114 nan 8.250 nan 0.000 0.440 868 E N 1.084 121.080 120.200 -0.339 0.000 2.097 868 E HA -0.218 4.181 4.350 0.082 0.000 0.196 868 E C 2.153 178.635 176.600 -0.197 0.000 1.000 868 E CA 1.236 57.440 56.400 -0.328 0.000 0.804 868 E CB -0.387 28.969 29.700 -0.574 0.000 0.740 868 E HN 0.412 nan 8.360 nan 0.000 0.454 869 L N 0.241 121.353 121.223 -0.185 0.000 2.131 869 L HA -0.157 4.232 4.340 0.082 0.000 0.210 869 L C 2.705 179.533 176.870 -0.071 0.000 1.092 869 L CA 1.036 55.811 54.840 -0.108 0.000 0.759 869 L CB -0.273 41.730 42.059 -0.092 0.000 0.903 869 L HN 0.048 nan 8.230 nan 0.000 0.435 870 R N 0.188 120.645 120.500 -0.072 0.000 2.075 870 R HA -0.143 4.247 4.340 0.082 0.000 0.232 870 R C 2.259 178.537 176.300 -0.037 0.000 1.126 870 R CA 1.226 57.300 56.100 -0.044 0.000 0.963 870 R CB -0.082 30.195 30.300 -0.038 0.000 0.858 870 R HN 0.328 nan 8.270 nan 0.000 0.435 871 K N 0.397 120.768 120.400 -0.048 0.000 2.209 871 K HA -0.101 4.268 4.320 0.082 0.000 0.204 871 K C 1.946 178.530 176.600 -0.026 0.000 1.048 871 K CA 0.959 57.227 56.287 -0.033 0.000 0.940 871 K CB -0.013 32.465 32.500 -0.037 0.000 0.729 871 K HN 0.187 nan 8.250 nan 0.000 0.451 872 L N 0.702 121.906 121.223 -0.032 0.000 2.179 872 L HA -0.108 4.281 4.340 0.082 0.000 0.208 872 L C 1.994 178.856 176.870 -0.013 0.000 1.096 872 L CA 1.073 55.901 54.840 -0.019 0.000 0.779 872 L CB -0.254 41.793 42.059 -0.021 0.000 0.922 872 L HN 0.082 nan 8.230 nan 0.000 0.443 873 K N 0.155 120.546 120.400 -0.016 0.000 2.097 873 K HA -0.047 4.322 4.320 0.082 0.000 0.205 873 K C 0.478 177.074 176.600 -0.007 0.000 1.050 873 K CA 0.825 57.106 56.287 -0.010 0.000 0.938 873 K CB -0.057 32.437 32.500 -0.010 0.000 0.718 873 K HN 0.251 nan 8.250 nan 0.000 0.442 874 N N 1.653 120.349 118.700 -0.008 0.000 2.839 874 N HA 0.066 4.855 4.740 0.082 0.000 0.314 874 N C -1.071 174.437 175.510 -0.003 0.000 1.449 874 N CA 0.094 53.141 53.050 -0.005 0.000 1.050 874 N CB 0.984 39.468 38.487 -0.005 0.000 1.364 874 N HN 0.246 nan 8.380 nan 0.000 0.512 875 Q N -0.279 119.520 119.800 -0.002 0.000 2.482 875 Q HA 0.655 5.044 4.340 0.082 0.000 0.286 875 Q C -1.354 174.647 176.000 0.002 0.000 1.007 875 Q CA -0.713 55.090 55.803 0.000 0.000 0.801 875 Q CB 2.165 30.903 28.738 -0.001 0.000 1.455 875 Q HN 0.270 nan 8.270 nan 0.000 0.398 876 A N 0.000 122.822 122.820 0.003 0.000 2.254 876 A HA 0.000 4.369 4.320 0.082 0.000 0.244 876 A CA 0.000 52.040 52.037 0.004 0.000 0.836 876 A CB 0.000 19.003 19.000 0.004 0.000 0.831 876 A HN 0.000 nan 8.150 nan 0.000 0.486