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 1cza_1_N DATA FIRST_RESID 16 DATA SEQUENCE DDQVKKIDKY LYAMRLSDET LIDIMTRFRK EMKNGLSRDF NPTATVKMLP DATA SEQUENCE TFVRSIPDGS EKGDFIALDL GGSSFRILRV QVNHEKNQNV HMESEVYDTP DATA SEQUENCE ENIVHGSGSQ LFDHVAECLG DFMEKRKIKD KKLPVGFTFS FPCQQSKIDE DATA SEQUENCE AILITWTKRF KASGVEGADV VKLLNKAIKK RGDYDANIVA VVNDTVGTMM DATA SEQUENCE TCGYDDQHCE VGLIIGTGTN ACYMEELRHI DLVEGDEGRM CINTEWGAFG DATA SEQUENCE DDGSLEDIRT EFDRAIDAYS LNPGKQLFEK MVSGMYLGEL VRLILVKMAK DATA SEQUENCE EGLLFEGRIT PELLTRGKFN TSDVSAIEKN KEGLHNAKEI LTRLGVEPSD DATA SEQUENCE DDCVSVQHVC TIVSFRSANL VAATLGAILN RLRDNKGTPR LRTTVGVDGS DATA SEQUENCE LYKTHPQYSR RFHKTLRRLV PDSDVRFLLS ESGSGKGAAM VTAVAYRLAE DATA SEQUENCE QHRQIEETLA HFHLTKDMLL EVKKRMRAEM ELGLRKQTHN NAVVKMLPSF DATA SEQUENCE VRRTPDGTEN GDFLALDLGG TNFRVLLVKI RSGKKRTVEM HNKIYAIPIE DATA SEQUENCE IMQGTGEELF DHIVSCISDF LDYMGIKGPR MPLGFTFSFP CQQTSLDAGI DATA SEQUENCE LITWTKGFKA TDCVGHDVVT LLRDAIKRRE EFDLDVVAVV NDTVGTMMTC DATA SEQUENCE AYEEPTCEVG LIVGTGSNAC YMEEMKNVEM VEGDQGQMCI NMEWGAFGDN DATA SEQUENCE GCLDDIRTHY DRLVDEYSLN AGKQRYEKMI SGMYLGEIVR NILIDFTKKG DATA SEQUENCE FLFRGQISET LKTRGIFETK FLSQIESDRL ALLQVRAILQ QLGLNSTCDD DATA SEQUENCE SILVKTVCGV VSRRAAQLCG AGMAAVVDKI RENRGLDRLN VTVGVDGTLY DATA SEQUENCE KLHPHFSRIM HQTVKELSPK CNVSFLLSED GSGKGAALIT AVGVRLRT 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 16 D HA 0.000 nan 4.640 nan 0.000 0.175 16 D C 0.000 176.270 176.300 -0.051 0.000 2.045 16 D CA 0.000 53.972 54.000 -0.046 0.000 0.868 16 D CB 0.000 40.783 40.800 -0.028 0.000 0.688 17 D N 1.377 121.753 120.400 -0.040 0.000 2.182 17 D HA -0.224 4.416 4.640 0.001 0.000 0.193 17 D C 1.813 178.085 176.300 -0.047 0.000 0.999 17 D CA 2.030 56.009 54.000 -0.035 0.000 0.850 17 D CB 0.012 40.795 40.800 -0.029 0.000 0.994 17 D HN -0.067 nan 8.370 nan 0.000 0.450 18 Q N -0.040 119.726 119.800 -0.057 0.000 2.012 18 Q HA -0.142 4.199 4.340 0.001 0.000 0.211 18 Q C 2.570 178.516 176.000 -0.090 0.000 1.009 18 Q CA 1.365 57.127 55.803 -0.069 0.000 0.866 18 Q CB -1.108 27.588 28.738 -0.070 0.000 0.945 18 Q HN 0.351 nan 8.270 nan 0.000 0.414 19 V N 1.146 120.961 119.914 -0.165 0.000 2.332 19 V HA -0.288 3.832 4.120 0.001 0.000 0.248 19 V C 2.351 178.352 176.094 -0.155 0.000 1.055 19 V CA 2.056 64.153 62.300 -0.338 0.000 1.038 19 V CB -0.465 31.035 31.823 -0.539 0.000 0.651 19 V HN 0.386 nan 8.190 nan 0.000 0.450 20 K N -0.310 120.041 120.400 -0.082 0.000 2.063 20 K HA -0.188 4.133 4.320 0.001 0.000 0.208 20 K C 2.297 178.916 176.600 0.031 0.000 1.048 20 K CA 1.268 57.550 56.287 -0.009 0.000 0.928 20 K CB -0.196 32.298 32.500 -0.010 0.000 0.713 20 K HN 0.301 nan 8.250 nan 0.000 0.442 21 K N 0.714 121.123 120.400 0.015 0.000 2.057 21 K HA -0.053 4.267 4.320 0.001 0.000 0.206 21 K C 2.052 178.703 176.600 0.085 0.000 1.050 21 K CA 0.934 57.245 56.287 0.039 0.000 0.935 21 K CB -0.266 32.236 32.500 0.004 0.000 0.715 21 K HN 0.161 nan 8.250 nan 0.000 0.439 22 I N 1.961 122.575 120.570 0.072 0.000 2.226 22 I HA -0.249 3.922 4.170 0.001 0.000 0.245 22 I C 1.504 177.755 176.117 0.223 0.000 1.100 22 I CA 1.410 62.794 61.300 0.140 0.000 1.374 22 I CB -0.995 37.126 38.000 0.201 0.000 1.057 22 I HN 0.118 nan 8.210 nan 0.000 0.413 23 D N 1.270 121.802 120.400 0.219 0.000 2.149 23 D HA -0.176 4.465 4.640 0.001 0.000 0.198 23 D C 2.219 178.661 176.300 0.237 0.000 0.990 23 D CA 1.292 55.422 54.000 0.217 0.000 0.839 23 D CB -0.089 40.824 40.800 0.189 0.000 0.948 23 D HN 0.385 nan 8.370 nan 0.000 0.460 24 K N -0.610 119.913 120.400 0.204 0.000 2.062 24 K HA -0.115 4.206 4.320 0.001 0.000 0.205 24 K C 2.174 178.906 176.600 0.220 0.000 1.051 24 K CA 0.511 56.910 56.287 0.187 0.000 0.941 24 K CB -0.279 32.279 32.500 0.097 0.000 0.719 24 K HN 0.124 nan 8.250 nan 0.000 0.440 25 Y N 1.274 121.628 120.300 0.090 0.000 2.165 25 Y HA -0.131 4.419 4.550 0.001 0.000 0.286 25 Y C 1.272 177.247 175.900 0.126 0.000 1.155 25 Y CA 1.403 59.556 58.100 0.088 0.000 1.164 25 Y CB 0.177 38.671 38.460 0.057 0.000 0.978 25 Y HN -0.070 nan 8.280 nan 0.000 0.513 26 L N -0.242 121.141 121.223 0.267 0.000 2.928 26 L HA 0.025 4.365 4.340 0.001 0.000 0.246 26 L C 1.114 178.062 176.870 0.130 0.000 1.239 26 L CA -0.201 54.740 54.840 0.169 0.000 1.035 26 L CB -0.497 41.633 42.059 0.119 0.000 1.360 26 L HN 0.245 nan 8.230 nan 0.000 0.529 27 Y N 1.768 122.090 120.300 0.037 0.000 2.181 27 Y HA -0.378 4.172 4.550 0.001 0.000 0.284 27 Y C 2.367 178.266 175.900 -0.002 0.000 1.179 27 Y CA 1.834 59.941 58.100 0.013 0.000 1.179 27 Y CB 0.155 38.619 38.460 0.006 0.000 0.973 27 Y HN 0.305 nan 8.280 nan 0.000 0.519 28 A N -0.400 122.465 122.820 0.074 0.000 2.121 28 A HA -0.130 4.191 4.320 0.001 0.000 0.218 28 A C 2.092 179.637 177.584 -0.065 0.000 1.154 28 A CA 1.537 53.573 52.037 -0.002 0.000 0.679 28 A CB -0.661 18.372 19.000 0.056 0.000 0.795 28 A HN 0.591 nan 8.150 nan 0.000 0.458 29 M N -0.994 118.572 119.600 -0.057 0.000 2.502 29 M HA 0.082 4.563 4.480 0.001 0.000 0.243 29 M C 0.204 176.425 176.300 -0.133 0.000 1.130 29 M CA 0.386 55.647 55.300 -0.064 0.000 1.055 29 M CB 0.191 32.774 32.600 -0.028 0.000 1.457 29 M HN 0.161 nan 8.290 nan 0.000 0.488 30 R N 1.867 122.238 120.500 -0.216 0.000 2.391 30 R HA 0.445 4.785 4.340 0.001 0.000 0.310 30 R C -0.905 175.224 176.300 -0.285 0.000 1.174 30 R CA -0.195 55.746 56.100 -0.265 0.000 1.118 30 R CB 0.454 30.583 30.300 -0.285 0.000 1.134 30 R HN 0.238 nan 8.270 nan 0.000 0.524 31 L N 2.642 123.735 121.223 -0.217 0.000 2.331 31 L HA 0.210 4.550 4.340 0.001 0.000 0.278 31 L C 0.948 177.721 176.870 -0.162 0.000 1.106 31 L CA -0.283 54.456 54.840 -0.168 0.000 0.824 31 L CB 1.212 43.209 42.059 -0.104 0.000 1.142 31 L HN 0.602 nan 8.230 nan 0.000 0.443 32 S N 0.509 116.128 115.700 -0.134 0.000 2.655 32 S HA 0.150 4.621 4.470 0.001 0.000 0.265 32 S C 0.495 175.056 174.600 -0.064 0.000 1.240 32 S CA -0.769 57.370 58.200 -0.102 0.000 0.986 32 S CB 1.368 64.523 63.200 -0.075 0.000 0.985 32 S HN 0.574 nan 8.310 nan 0.000 0.562 33 D N 0.497 120.870 120.400 -0.045 0.000 2.178 33 D HA -0.082 4.559 4.640 0.001 0.000 0.201 33 D C 1.770 178.063 176.300 -0.011 0.000 0.980 33 D CA 1.433 55.420 54.000 -0.021 0.000 0.842 33 D CB -0.309 40.483 40.800 -0.013 0.000 0.948 33 D HN 0.845 nan 8.370 nan 0.000 0.472 34 E N -0.126 120.066 120.200 -0.013 0.000 2.077 34 E HA -0.163 4.187 4.350 0.001 0.000 0.193 34 E C 1.549 178.148 176.600 -0.002 0.000 0.989 34 E CA 1.402 57.800 56.400 -0.004 0.000 0.800 34 E CB 0.114 29.811 29.700 -0.004 0.000 0.746 34 E HN 0.118 nan 8.360 nan 0.000 0.452 35 T N 1.288 115.834 114.554 -0.012 0.000 2.777 35 T HA -0.090 4.260 4.350 0.001 0.000 0.266 35 T C 1.860 176.564 174.700 0.007 0.000 1.040 35 T CA 1.111 63.206 62.100 -0.008 0.000 1.141 35 T CB -0.140 68.711 68.868 -0.030 0.000 0.868 35 T HN 0.160 nan 8.240 nan 0.000 0.444 36 L N 0.298 121.523 121.223 0.004 0.000 2.083 36 L HA -0.013 4.328 4.340 0.001 0.000 0.209 36 L C 2.397 179.287 176.870 0.034 0.000 1.083 36 L CA 1.095 55.949 54.840 0.024 0.000 0.752 36 L CB -0.637 41.433 42.059 0.019 0.000 0.899 36 L HN 0.263 nan 8.230 nan 0.000 0.433 37 I N -0.048 120.536 120.570 0.025 0.000 2.286 37 I HA -0.287 3.883 4.170 0.001 0.000 0.248 37 I C 2.354 178.492 176.117 0.034 0.000 1.115 37 I CA 1.266 62.582 61.300 0.027 0.000 1.392 37 I CB -0.339 37.671 38.000 0.017 0.000 1.065 37 I HN 0.317 nan 8.210 nan 0.000 0.418 38 D N 1.533 121.953 120.400 0.033 0.000 2.097 38 D HA -0.175 4.466 4.640 0.001 0.000 0.195 38 D C 2.152 178.495 176.300 0.072 0.000 0.989 38 D CA 1.615 55.639 54.000 0.040 0.000 0.827 38 D CB -0.121 40.696 40.800 0.028 0.000 0.966 38 D HN 0.311 nan 8.370 nan 0.000 0.456 39 I N 0.367 120.988 120.570 0.086 0.000 2.208 39 I HA -0.255 3.915 4.170 0.001 0.000 0.245 39 I C 2.731 178.958 176.117 0.183 0.000 1.097 39 I CA 0.910 62.308 61.300 0.163 0.000 1.363 39 I CB -0.324 37.762 38.000 0.143 0.000 1.051 39 I HN 0.133 nan 8.210 nan 0.000 0.413 40 M N 0.385 120.044 119.600 0.099 0.000 2.108 40 M HA -0.232 4.249 4.480 0.001 0.000 0.261 40 M C 2.260 178.603 176.300 0.071 0.000 1.066 40 M CA 2.107 57.451 55.300 0.074 0.000 1.107 40 M CB -0.239 32.391 32.600 0.050 0.000 1.356 40 M HN 0.191 nan 8.290 nan 0.000 0.406 41 T N 0.444 115.031 114.554 0.055 0.000 2.777 41 T HA -0.094 4.256 4.350 0.001 0.000 0.266 41 T C 1.719 176.434 174.700 0.025 0.000 1.040 41 T CA 1.389 63.505 62.100 0.027 0.000 1.141 41 T CB -0.336 68.545 68.868 0.021 0.000 0.868 41 T HN 0.484 nan 8.240 nan 0.000 0.444 42 R N 0.202 120.754 120.500 0.088 0.000 2.083 42 R HA -0.066 4.275 4.340 0.001 0.000 0.237 42 R C 2.187 178.500 176.300 0.022 0.000 1.137 42 R CA 1.515 57.690 56.100 0.126 0.000 0.951 42 R CB -0.604 29.877 30.300 0.300 0.000 0.851 42 R HN 0.348 nan 8.270 nan 0.000 0.434 43 F N 1.831 121.628 119.950 -0.255 0.000 2.293 43 F HA -0.090 4.437 4.527 0.001 0.000 0.300 43 F C 2.570 178.161 175.800 -0.349 0.000 1.086 43 F CA 1.146 58.754 58.000 -0.655 0.000 1.375 43 F CB -0.091 38.355 39.000 -0.923 0.000 1.045 43 F HN -0.156 nan 8.300 nan 0.000 0.516 44 R N 0.759 121.123 120.500 -0.227 0.000 2.081 44 R HA -0.210 4.131 4.340 0.001 0.000 0.235 44 R C 2.380 178.526 176.300 -0.258 0.000 1.131 44 R CA 1.859 57.818 56.100 -0.235 0.000 0.960 44 R CB -0.394 29.843 30.300 -0.103 0.000 0.856 44 R HN 0.287 nan 8.270 nan 0.000 0.436 45 K N 0.207 120.492 120.400 -0.193 0.000 2.057 45 K HA -0.136 4.185 4.320 0.001 0.000 0.207 45 K C 1.801 178.273 176.600 -0.213 0.000 1.049 45 K CA 1.546 57.737 56.287 -0.160 0.000 0.931 45 K CB 0.103 32.544 32.500 -0.099 0.000 0.714 45 K HN 0.146 nan 8.250 nan 0.000 0.440 46 E N 0.548 120.561 120.200 -0.312 0.000 2.110 46 E HA -0.200 4.151 4.350 0.001 0.000 0.193 46 E C 1.990 178.373 176.600 -0.362 0.000 0.988 46 E CA 1.311 57.518 56.400 -0.322 0.000 0.804 46 E CB -0.168 29.301 29.700 -0.384 0.000 0.745 46 E HN 0.467 nan 8.360 nan 0.000 0.458 47 M N 0.375 119.639 119.600 -0.560 0.000 2.117 47 M HA -0.164 4.317 4.480 0.001 0.000 0.262 47 M C 2.410 178.598 176.300 -0.188 0.000 1.065 47 M CA 1.405 56.461 55.300 -0.408 0.000 1.114 47 M CB -0.221 32.111 32.600 -0.447 0.000 1.361 47 M HN -0.073 nan 8.290 nan 0.000 0.408 48 K N 0.226 120.524 120.400 -0.170 0.000 2.097 48 K HA -0.150 4.170 4.320 0.001 0.000 0.205 48 K C 1.575 178.178 176.600 0.005 0.000 1.050 48 K CA 1.277 57.519 56.287 -0.075 0.000 0.938 48 K CB 0.047 32.502 32.500 -0.075 0.000 0.718 48 K HN 0.257 nan 8.250 nan 0.000 0.442 49 N N 0.286 118.988 118.700 0.005 0.000 2.120 49 N HA -0.113 4.627 4.740 0.001 0.000 0.188 49 N C 1.756 177.327 175.510 0.102 0.000 1.024 49 N CA 1.460 54.578 53.050 0.113 0.000 0.852 49 N CB -0.644 37.837 38.487 -0.011 0.000 1.003 49 N HN 0.358 nan 8.380 nan 0.000 0.424 50 G N 0.514 109.324 108.800 0.016 0.000 2.422 50 G HA2 -0.098 3.863 3.960 0.001 0.000 0.218 50 G HA3 -0.098 3.863 3.960 0.001 0.000 0.218 50 G C 1.533 176.453 174.900 0.033 0.000 1.140 50 G CA 0.203 45.320 45.100 0.028 0.000 0.775 50 G HN 0.241 nan 8.290 nan 0.000 0.545 51 L N 0.803 122.041 121.223 0.024 0.000 2.341 51 L HA 0.141 4.482 4.340 0.001 0.000 0.214 51 L C 1.750 178.636 176.870 0.026 0.000 1.115 51 L CA -0.050 54.806 54.840 0.027 0.000 0.820 51 L CB -0.042 42.035 42.059 0.030 0.000 0.944 51 L HN 0.209 nan 8.230 nan 0.000 0.452 52 S N 0.508 116.231 115.700 0.038 0.000 2.531 52 S HA 0.045 4.515 4.470 0.001 0.000 0.279 52 S C 1.546 176.132 174.600 -0.024 0.000 1.305 52 S CA -0.634 57.568 58.200 0.003 0.000 1.058 52 S CB 0.826 64.048 63.200 0.038 0.000 0.899 52 S HN 0.368 nan 8.310 nan 0.000 0.493 53 R N 3.507 123.974 120.500 -0.055 0.000 2.120 53 R HA -0.066 4.275 4.340 0.001 0.000 0.234 53 R C 0.777 177.018 176.300 -0.099 0.000 1.123 53 R CA 1.614 57.681 56.100 -0.056 0.000 0.975 53 R CB -0.504 29.764 30.300 -0.053 0.000 0.866 53 R HN 0.563 nan 8.270 nan 0.000 0.446 54 D N 0.500 120.770 120.400 -0.218 0.000 2.103 54 D HA -0.076 4.564 4.640 0.001 0.000 0.199 54 D C 1.408 177.546 176.300 -0.269 0.000 0.978 54 D CA 1.158 54.952 54.000 -0.344 0.000 0.829 54 D CB -0.061 40.358 40.800 -0.635 0.000 0.981 54 D HN 0.246 nan 8.370 nan 0.000 0.464 55 F N 1.017 120.965 119.950 -0.004 0.000 2.749 55 F HA 0.117 4.645 4.527 0.001 0.000 0.300 55 F C 1.888 177.688 175.800 -0.001 0.000 1.103 55 F CA -0.531 57.467 58.000 -0.003 0.000 1.342 55 F CB -0.737 38.257 39.000 -0.010 0.000 1.098 55 F HN -0.084 nan 8.300 nan 0.000 0.586 56 N N 1.779 120.565 118.700 0.143 0.000 2.094 56 N HA -0.172 4.568 4.740 0.001 0.000 0.191 56 N C -0.925 174.635 175.510 0.084 0.000 1.023 56 N CA 1.602 54.709 53.050 0.094 0.000 0.857 56 N CB -0.856 37.663 38.487 0.053 0.000 1.013 56 N HN 0.130 nan 8.380 nan 0.000 0.426 57 P HA -0.039 nan 4.420 nan 0.000 0.220 57 P C 0.490 177.833 177.300 0.071 0.000 1.148 57 P CA 1.478 64.616 63.100 0.063 0.000 0.803 57 P CB -0.163 31.567 31.700 0.051 0.000 0.782 58 T N -4.746 109.865 114.554 0.095 0.000 3.266 58 T HA 0.608 4.959 4.350 0.001 0.000 0.278 58 T C 0.401 175.141 174.700 0.067 0.000 1.010 58 T CA -0.628 61.519 62.100 0.078 0.000 0.909 58 T CB -0.246 68.670 68.868 0.080 0.000 1.122 58 T HN -0.029 nan 8.240 nan 0.000 0.536 59 A N 1.499 124.365 122.820 0.076 0.000 2.309 59 A HA 0.589 4.910 4.320 0.001 0.000 0.298 59 A C 1.566 179.187 177.584 0.063 0.000 1.165 59 A CA -0.253 51.819 52.037 0.058 0.000 0.821 59 A CB 0.660 19.699 19.000 0.065 0.000 1.102 59 A HN 0.460 nan 8.150 nan 0.000 0.500 60 T N -0.302 114.294 114.554 0.070 0.000 2.985 60 T HA 0.024 4.375 4.350 0.001 0.000 0.266 60 T C 0.471 175.250 174.700 0.132 0.000 1.076 60 T CA 1.016 63.180 62.100 0.107 0.000 1.135 60 T CB -0.308 68.642 68.868 0.137 0.000 0.890 60 T HN 0.274 nan 8.240 nan 0.000 0.480 61 V N 2.574 122.550 119.914 0.102 0.000 2.318 61 V HA 0.290 4.410 4.120 0.001 0.000 0.271 61 V C 0.946 177.082 176.094 0.069 0.000 1.030 61 V CA -0.768 61.598 62.300 0.111 0.000 0.844 61 V CB 1.131 32.968 31.823 0.024 0.000 1.015 61 V HN 0.375 nan 8.190 nan 0.000 0.460 62 K N 3.838 124.293 120.400 0.092 0.000 2.288 62 K HA 0.091 4.411 4.320 0.001 0.000 0.201 62 K C 0.587 177.219 176.600 0.053 0.000 1.048 62 K CA 0.352 56.680 56.287 0.068 0.000 0.956 62 K CB -0.044 32.498 32.500 0.069 0.000 0.746 62 K HN 0.591 nan 8.250 nan 0.000 0.461 63 M N 0.849 120.485 119.600 0.060 0.000 2.303 63 M HA -0.200 4.280 4.480 0.001 0.000 0.189 63 M C -0.856 175.457 176.300 0.021 0.000 0.688 63 M CA 0.862 56.192 55.300 0.050 0.000 0.479 63 M CB -2.315 30.309 32.600 0.041 0.000 1.094 63 M HN 0.125 nan 8.290 nan 0.000 0.907 64 L N 2.025 123.259 121.223 0.018 0.000 2.360 64 L HA 0.281 4.621 4.340 0.001 0.000 0.276 64 L C -1.544 175.314 176.870 -0.020 0.000 1.121 64 L CA -1.678 53.170 54.840 0.012 0.000 0.845 64 L CB 0.401 42.475 42.059 0.025 0.000 1.143 64 L HN 0.116 nan 8.230 nan 0.000 0.452 65 P HA 0.040 nan 4.420 nan 0.000 0.268 65 P C 0.460 177.755 177.300 -0.007 0.000 1.204 65 P CA -0.155 62.885 63.100 -0.101 0.000 0.768 65 P CB 0.791 32.396 31.700 -0.159 0.000 0.842 66 T N -1.264 113.248 114.554 -0.069 0.000 2.990 66 T HA 0.170 4.521 4.350 0.001 0.000 0.250 66 T C 0.594 175.400 174.700 0.177 0.000 1.041 66 T CA -0.088 62.040 62.100 0.045 0.000 1.010 66 T CB -0.776 68.077 68.868 -0.026 0.000 1.003 66 T HN 0.209 nan 8.240 nan 0.000 0.499 67 F N 0.401 120.323 119.950 -0.048 0.000 3.018 67 F HA -0.156 4.371 4.527 0.001 0.000 0.287 67 F C -0.167 175.609 175.800 -0.041 0.000 0.813 67 F CA -0.004 57.972 58.000 -0.040 0.000 1.209 67 F CB -2.050 36.932 39.000 -0.030 0.000 1.321 67 F HN 0.118 nan 8.300 nan 0.000 0.477 68 V N 0.810 120.721 119.914 -0.006 0.000 2.311 68 V HA 0.299 4.419 4.120 0.001 0.000 0.275 68 V C 1.047 177.102 176.094 -0.064 0.000 1.022 68 V CA -0.385 61.905 62.300 -0.017 0.000 0.830 68 V CB 1.626 33.434 31.823 -0.025 0.000 1.012 68 V HN 0.209 nan 8.190 nan 0.000 0.452 69 R N 2.182 122.654 120.500 -0.046 0.000 2.334 69 R HA 0.331 4.671 4.340 0.001 0.000 0.216 69 R C 0.515 176.783 176.300 -0.052 0.000 0.905 69 R CA 0.153 56.213 56.100 -0.067 0.000 1.064 69 R CB 0.768 31.036 30.300 -0.053 0.000 1.046 69 R HN 0.588 nan 8.270 nan 0.000 0.508 70 S N 0.080 115.758 115.700 -0.038 0.000 2.552 70 S HA 0.369 4.840 4.470 0.001 0.000 0.272 70 S C -0.635 173.954 174.600 -0.018 0.000 1.150 70 S CA -1.049 57.134 58.200 -0.029 0.000 0.849 70 S CB 0.870 64.059 63.200 -0.019 0.000 1.113 70 S HN 0.247 nan 8.310 nan 0.000 0.458 71 I N 0.796 121.357 120.570 -0.015 0.000 3.079 71 I HA 0.537 4.708 4.170 0.001 0.000 0.295 71 I C -2.405 173.722 176.117 0.017 0.000 1.094 71 I CA -2.235 59.066 61.300 0.002 0.000 1.295 71 I CB -0.326 37.674 38.000 0.001 0.000 1.443 71 I HN 0.340 nan 8.210 nan 0.000 0.607 72 P HA 0.034 nan 4.420 nan 0.000 0.267 72 P C -0.785 176.536 177.300 0.035 0.000 1.200 72 P CA 0.208 63.362 63.100 0.091 0.000 0.772 72 P CB 0.369 32.223 31.700 0.258 0.000 0.855 73 D N 0.239 120.658 120.400 0.031 0.000 2.469 73 D HA 0.163 4.804 4.640 0.001 0.000 0.215 73 D C 1.244 177.538 176.300 -0.010 0.000 1.154 73 D CA 0.145 54.142 54.000 -0.006 0.000 0.832 73 D CB -0.255 40.546 40.800 0.002 0.000 1.008 73 D HN 0.557 nan 8.370 nan 0.000 0.506 74 G N 0.607 109.419 108.800 0.020 0.000 2.213 74 G HA2 -0.344 3.617 3.960 0.001 0.000 0.236 74 G HA3 -0.344 3.617 3.960 0.001 0.000 0.236 74 G C 1.141 176.088 174.900 0.078 0.000 0.991 74 G CA 0.593 45.704 45.100 0.018 0.000 0.629 74 G HN 0.746 nan 8.290 nan 0.000 0.517 75 S N 0.052 115.799 115.700 0.079 0.000 2.593 75 S HA 0.376 4.846 4.470 0.001 0.000 0.217 75 S C 0.591 175.262 174.600 0.118 0.000 0.966 75 S CA 0.856 59.107 58.200 0.085 0.000 0.914 75 S CB 0.334 63.572 63.200 0.064 0.000 0.776 75 S HN 0.521 nan 8.310 nan 0.000 0.523 76 E N 2.427 122.717 120.200 0.149 0.000 2.373 76 E HA 0.468 4.818 4.350 0.001 0.000 0.267 76 E C -0.123 176.597 176.600 0.199 0.000 1.032 76 E CA 0.059 56.557 56.400 0.163 0.000 0.889 76 E CB 0.569 30.354 29.700 0.142 0.000 0.984 76 E HN 0.626 nan 8.360 nan 0.000 0.425 77 K N 0.362 120.903 120.400 0.236 0.000 2.572 77 K HA 0.710 5.031 4.320 0.001 0.000 0.263 77 K C -0.612 176.116 176.600 0.213 0.000 0.932 77 K CA -0.554 55.863 56.287 0.217 0.000 0.838 77 K CB 1.624 34.224 32.500 0.167 0.000 1.366 77 K HN 0.647 nan 8.250 nan 0.000 0.425 78 G N 1.238 110.038 108.800 -0.001 0.000 2.356 78 G HA2 0.205 4.165 3.960 0.001 0.000 0.288 78 G HA3 0.205 4.165 3.960 0.001 0.000 0.288 78 G C -2.218 172.034 174.900 -1.080 0.000 1.302 78 G CA -0.460 44.316 45.100 -0.541 0.000 0.887 78 G HN 0.672 nan 8.290 nan 0.000 0.521 79 D N -0.341 119.170 120.400 -1.481 0.000 2.505 79 D HA 0.702 5.342 4.640 0.001 0.000 0.250 79 D C -0.946 174.729 176.300 -1.042 0.000 1.164 79 D CA -0.312 53.050 54.000 -1.064 0.000 0.870 79 D CB 0.745 41.024 40.800 -0.868 0.000 1.160 79 D HN 0.276 nan 8.370 nan 0.000 0.549 80 F N 1.995 121.854 119.950 -0.151 0.000 2.598 80 F HA 0.589 5.116 4.527 0.001 0.000 0.327 80 F C 0.320 176.087 175.800 -0.056 0.000 1.057 80 F CA -1.112 56.824 58.000 -0.108 0.000 0.957 80 F CB 1.481 40.423 39.000 -0.096 0.000 1.278 80 F HN 0.081 nan 8.300 nan 0.000 0.484 81 I N 1.622 122.280 120.570 0.147 0.000 2.377 81 I HA 0.654 4.825 4.170 0.001 0.000 0.293 81 I C -0.612 175.521 176.117 0.026 0.000 0.987 81 I CA -0.682 60.647 61.300 0.048 0.000 1.185 81 I CB 1.696 39.693 38.000 -0.006 0.000 1.341 81 I HN 0.673 nan 8.210 nan 0.000 0.455 82 A N 7.558 130.358 122.820 -0.034 0.000 2.335 82 A HA 0.777 5.098 4.320 0.001 0.000 0.304 82 A C -0.803 176.768 177.584 -0.022 0.000 1.118 82 A CA -0.505 51.533 52.037 0.001 0.000 0.757 82 A CB 0.793 19.805 19.000 0.020 0.000 1.188 82 A HN 0.650 nan 8.150 nan 0.000 0.460 83 L N 1.505 122.771 121.223 0.071 0.000 2.357 83 L HA 0.536 4.876 4.340 0.001 0.000 0.273 83 L C -0.372 176.709 176.870 0.352 0.000 1.080 83 L CA -0.563 54.376 54.840 0.166 0.000 0.803 83 L CB 1.300 43.416 42.059 0.095 0.000 1.174 83 L HN 0.691 nan 8.230 nan 0.000 0.443 84 D N 2.854 123.509 120.400 0.425 0.000 2.402 84 D HA 0.429 5.070 4.640 0.001 0.000 0.252 84 D C -1.714 174.884 176.300 0.497 0.000 1.294 84 D CA -0.300 53.924 54.000 0.373 0.000 0.948 84 D CB 1.404 42.331 40.800 0.211 0.000 1.202 84 D HN 0.167 nan 8.370 nan 0.000 0.561 85 L N 3.086 124.582 121.223 0.455 0.000 2.385 85 L HA 0.832 5.173 4.340 0.001 0.000 0.273 85 L C 0.904 177.843 176.870 0.115 0.000 0.990 85 L CA 0.429 55.487 54.840 0.365 0.000 0.821 85 L CB 1.836 44.169 42.059 0.457 0.000 1.279 85 L HN 0.594 nan 8.230 nan 0.000 0.412 86 G N 2.376 111.171 108.800 -0.008 0.000 2.421 86 G HA2 -0.081 3.880 3.960 0.001 0.000 0.188 86 G HA3 -0.081 3.880 3.960 0.001 0.000 0.188 86 G C 0.353 175.142 174.900 -0.185 0.000 1.001 86 G CA -0.054 44.815 45.100 -0.384 0.000 0.693 86 G HN 1.130 nan 8.290 nan 0.000 0.479 87 G N 0.502 109.280 108.800 -0.037 0.000 2.509 87 G HA2 0.532 4.493 3.960 0.001 0.000 0.269 87 G HA3 0.532 4.493 3.960 0.001 0.000 0.269 87 G C 1.539 176.502 174.900 0.106 0.000 1.416 87 G CA 1.188 46.292 45.100 0.006 0.000 1.052 87 G HN 1.127 nan 8.290 nan 0.000 0.542 88 S N -1.560 114.185 115.700 0.075 0.000 2.423 88 S HA 0.102 4.573 4.470 0.001 0.000 0.231 88 S C 0.929 175.600 174.600 0.118 0.000 1.014 88 S CA 0.892 59.141 58.200 0.081 0.000 0.965 88 S CB -0.033 63.189 63.200 0.037 0.000 0.785 88 S HN 0.332 nan 8.310 nan 0.000 0.495 89 S N 0.444 116.231 115.700 0.145 0.000 2.538 89 S HA 0.496 4.967 4.470 0.001 0.000 0.288 89 S C -1.171 173.607 174.600 0.297 0.000 1.108 89 S CA -0.817 57.495 58.200 0.186 0.000 0.971 89 S CB 1.356 64.626 63.200 0.117 0.000 1.041 89 S HN 0.467 nan 8.310 nan 0.000 0.483 90 F N 4.470 124.530 119.950 0.183 0.000 2.438 90 F HA 0.426 4.953 4.527 0.001 0.000 0.360 90 F C 0.361 176.283 175.800 0.203 0.000 1.118 90 F CA -0.390 57.743 58.000 0.223 0.000 1.164 90 F CB 0.182 39.348 39.000 0.276 0.000 1.131 90 F HN 0.452 nan 8.300 nan 0.000 0.527 91 R N 6.554 127.148 120.500 0.157 0.000 2.832 91 R HA 0.690 5.030 4.340 0.001 0.000 0.271 91 R C -1.159 175.030 176.300 -0.186 0.000 0.996 91 R CA -1.117 54.947 56.100 -0.060 0.000 0.977 91 R CB 2.612 32.922 30.300 0.017 0.000 1.168 91 R HN 0.631 nan 8.270 nan 0.000 0.482 92 I N 2.760 123.182 120.570 -0.247 0.000 2.498 92 I HA 0.372 4.542 4.170 0.001 0.000 0.290 92 I C -1.158 174.667 176.117 -0.487 0.000 1.032 92 I CA -0.872 60.146 61.300 -0.471 0.000 1.073 92 I CB 1.771 39.295 38.000 -0.793 0.000 1.251 92 I HN 0.232 nan 8.210 nan 0.000 0.426 93 L N 5.613 126.596 121.223 -0.401 0.000 2.354 93 L HA 0.587 4.928 4.340 0.001 0.000 0.264 93 L C -0.255 176.595 176.870 -0.034 0.000 1.008 93 L CA -0.519 54.250 54.840 -0.120 0.000 0.819 93 L CB 1.953 44.001 42.059 -0.019 0.000 1.339 93 L HN 0.487 nan 8.230 nan 0.000 0.420 94 R N 1.229 121.869 120.500 0.233 0.000 2.343 94 R HA 0.771 5.112 4.340 0.001 0.000 0.320 94 R C -1.839 174.561 176.300 0.167 0.000 0.956 94 R CA -0.453 55.792 56.100 0.242 0.000 0.836 94 R CB 1.344 31.841 30.300 0.329 0.000 1.151 94 R HN 0.481 nan 8.270 nan 0.000 0.450 95 V N 5.312 125.311 119.914 0.142 0.000 2.407 95 V HA 0.283 4.404 4.120 0.001 0.000 0.291 95 V C -0.490 175.682 176.094 0.129 0.000 1.018 95 V CA -0.752 61.632 62.300 0.140 0.000 0.842 95 V CB 1.624 33.519 31.823 0.120 0.000 0.996 95 V HN 0.793 nan 8.190 nan 0.000 0.426 96 Q N 3.144 123.014 119.800 0.116 0.000 2.271 96 Q HA 0.706 5.046 4.340 0.001 0.000 0.258 96 Q C -0.644 175.410 176.000 0.091 0.000 0.936 96 Q CA -0.667 55.141 55.803 0.009 0.000 0.909 96 Q CB 2.770 31.524 28.738 0.027 0.000 1.253 96 Q HN 0.727 nan 8.270 nan 0.000 0.440 97 V N 0.831 120.799 119.914 0.090 0.000 2.483 97 V HA 0.372 4.492 4.120 0.001 0.000 0.297 97 V C -0.333 175.860 176.094 0.166 0.000 1.027 97 V CA -0.604 61.772 62.300 0.127 0.000 0.855 97 V CB 1.172 33.059 31.823 0.107 0.000 0.995 97 V HN 1.003 nan 8.190 nan 0.000 0.424 98 N N 2.524 121.331 118.700 0.178 0.000 2.701 98 N HA -0.259 4.481 4.740 0.001 0.000 0.250 98 N C 0.652 176.270 175.510 0.179 0.000 1.046 98 N CA 1.058 54.210 53.050 0.170 0.000 0.733 98 N CB -0.948 37.641 38.487 0.170 0.000 0.973 98 N HN 0.995 nan 8.380 nan 0.000 0.541 99 H N 0.341 119.433 119.070 0.036 0.000 2.548 99 H HA 0.203 4.760 4.556 0.001 0.000 0.268 99 H C 0.476 175.796 175.328 -0.013 0.000 0.975 99 H CA 1.239 57.283 56.048 -0.007 0.000 1.195 99 H CB 0.434 30.170 29.762 -0.044 0.000 1.397 99 H HN 0.629 nan 8.280 nan 0.000 0.572 100 E N -0.469 119.757 120.200 0.042 0.000 2.372 100 E HA 0.208 4.559 4.350 0.001 0.000 0.279 100 E C -1.103 175.516 176.600 0.032 0.000 0.946 100 E CA -1.034 55.360 56.400 -0.010 0.000 0.769 100 E CB 1.462 31.139 29.700 -0.038 0.000 1.230 100 E HN 0.043 nan 8.360 nan 0.000 0.442 101 K N 2.704 123.114 120.400 0.018 0.000 2.436 101 K HA -0.011 4.309 4.320 0.001 0.000 0.275 101 K C 0.097 176.719 176.600 0.037 0.000 0.999 101 K CA 0.834 57.139 56.287 0.030 0.000 0.980 101 K CB 0.145 32.656 32.500 0.018 0.000 0.919 101 K HN 0.785 nan 8.250 nan 0.000 0.484 102 N N 2.241 120.969 118.700 0.047 0.000 2.754 102 N HA -0.241 4.500 4.740 0.001 0.000 0.248 102 N C -1.403 174.145 175.510 0.064 0.000 1.093 102 N CA 0.751 53.831 53.050 0.050 0.000 0.699 102 N CB -0.397 38.112 38.487 0.037 0.000 1.016 102 N HN 0.713 nan 8.380 nan 0.000 0.552 103 Q N 0.306 120.156 119.800 0.083 0.000 2.759 103 Q HA 0.202 4.543 4.340 0.001 0.000 0.225 103 Q C -0.004 176.077 176.000 0.135 0.000 0.823 103 Q CA -0.736 55.130 55.803 0.105 0.000 0.828 103 Q CB 0.537 29.335 28.738 0.101 0.000 1.425 103 Q HN 0.178 nan 8.270 nan 0.000 0.449 104 N N 1.332 120.125 118.700 0.155 0.000 2.006 104 N HA -0.068 4.673 4.740 0.001 0.000 0.196 104 N C 0.480 176.098 175.510 0.181 0.000 1.070 104 N CA 1.361 54.546 53.050 0.225 0.000 0.859 104 N CB -0.110 38.568 38.487 0.317 0.000 1.060 104 N HN 0.338 nan 8.380 nan 0.000 0.424 105 V N -0.006 119.992 119.914 0.141 0.000 2.815 105 V HA 0.293 4.413 4.120 0.001 0.000 0.314 105 V C -0.300 175.882 176.094 0.148 0.000 1.064 105 V CA -0.845 61.511 62.300 0.095 0.000 0.952 105 V CB 2.174 33.989 31.823 -0.013 0.000 1.020 105 V HN 0.477 nan 8.190 nan 0.000 0.439 106 H N 4.495 123.591 119.070 0.044 0.000 2.782 106 H HA 0.668 5.224 4.556 0.001 0.000 0.347 106 H C -1.642 173.710 175.328 0.041 0.000 1.038 106 H CA -0.785 55.290 56.048 0.045 0.000 1.255 106 H CB 1.752 31.548 29.762 0.055 0.000 1.623 106 H HN 0.669 nan 8.280 nan 0.000 0.525 107 M N 3.881 123.356 119.600 -0.208 0.000 2.591 107 M HA 0.360 4.841 4.480 0.001 0.000 0.306 107 M C -0.731 175.473 176.300 -0.160 0.000 1.190 107 M CA -0.868 54.380 55.300 -0.087 0.000 0.889 107 M CB 3.193 35.770 32.600 -0.039 0.000 1.728 107 M HN 0.585 nan 8.290 nan 0.000 0.458 108 E N 0.896 121.104 120.200 0.013 0.000 2.343 108 E HA 0.804 5.154 4.350 0.001 0.000 0.270 108 E C -1.457 175.221 176.600 0.130 0.000 0.895 108 E CA -0.915 55.511 56.400 0.044 0.000 0.767 108 E CB 2.364 32.113 29.700 0.081 0.000 1.248 108 E HN 0.710 nan 8.360 nan 0.000 0.440 109 S N 0.675 116.443 115.700 0.112 0.000 2.607 109 S HA 0.633 5.104 4.470 0.001 0.000 0.273 109 S C -1.021 173.651 174.600 0.120 0.000 1.148 109 S CA -0.942 57.338 58.200 0.133 0.000 0.833 109 S CB 2.275 65.499 63.200 0.041 0.000 1.130 109 S HN 0.705 nan 8.310 nan 0.000 0.470 110 E N 0.466 120.722 120.200 0.094 0.000 2.321 110 E HA 0.593 4.944 4.350 0.001 0.000 0.278 110 E C -1.843 174.638 176.600 -0.197 0.000 0.902 110 E CA -0.855 55.501 56.400 -0.073 0.000 0.758 110 E CB 2.122 31.792 29.700 -0.051 0.000 1.213 110 E HN 0.589 nan 8.360 nan 0.000 0.426 111 V N 4.225 123.987 119.914 -0.253 0.000 2.439 111 V HA 0.336 4.457 4.120 0.001 0.000 0.282 111 V C -0.954 174.943 176.094 -0.327 0.000 1.039 111 V CA -0.347 61.846 62.300 -0.178 0.000 0.913 111 V CB 0.753 32.533 31.823 -0.071 0.000 0.983 111 V HN 0.593 nan 8.190 nan 0.000 0.460 112 Y N 1.875 122.114 120.300 -0.101 0.000 2.335 112 Y HA 0.347 4.897 4.550 0.001 0.000 0.338 112 Y C 0.352 176.350 175.900 0.163 0.000 0.977 112 Y CA -0.892 57.201 58.100 -0.012 0.000 1.114 112 Y CB 1.324 39.700 38.460 -0.140 0.000 1.182 112 Y HN 0.734 nan 8.280 nan 0.000 0.463 113 D N 1.738 122.287 120.400 0.247 0.000 2.458 113 D HA 0.096 4.737 4.640 0.001 0.000 0.243 113 D C -0.610 175.864 176.300 0.290 0.000 1.146 113 D CA 0.740 54.860 54.000 0.201 0.000 0.877 113 D CB 0.604 41.470 40.800 0.110 0.000 1.176 113 D HN 0.497 nan 8.370 nan 0.000 0.461 114 T N 5.924 120.587 114.554 0.181 0.000 3.133 114 T HA 0.294 4.645 4.350 0.001 0.000 0.368 114 T C -2.350 172.265 174.700 -0.141 0.000 1.190 114 T CA -1.035 61.084 62.100 0.032 0.000 1.282 114 T CB 1.135 70.130 68.868 0.212 0.000 1.042 114 T HN 0.365 nan 8.240 nan 0.000 0.536 115 P HA 0.194 nan 4.420 nan 0.000 0.272 115 P C 0.957 178.084 177.300 -0.289 0.000 1.240 115 P CA -0.293 62.695 63.100 -0.187 0.000 0.791 115 P CB 1.291 32.905 31.700 -0.143 0.000 0.978 116 E N 1.079 121.103 120.200 -0.293 0.000 2.171 116 E HA -0.290 4.061 4.350 0.001 0.000 0.197 116 E C 1.468 177.836 176.600 -0.386 0.000 0.997 116 E CA 1.870 58.012 56.400 -0.428 0.000 0.810 116 E CB -0.211 29.303 29.700 -0.310 0.000 0.738 116 E HN 0.523 nan 8.360 nan 0.000 0.467 117 N N 0.330 118.890 118.700 -0.232 0.000 2.309 117 N HA -0.165 4.575 4.740 0.001 0.000 0.182 117 N C 1.583 176.972 175.510 -0.201 0.000 1.018 117 N CA 1.202 54.155 53.050 -0.162 0.000 0.876 117 N CB -0.217 38.206 38.487 -0.107 0.000 0.972 117 N HN 0.216 nan 8.380 nan 0.000 0.434 118 I N 0.028 120.428 120.570 -0.283 0.000 2.406 118 I HA -0.026 4.144 4.170 0.001 0.000 0.249 118 I C 1.803 177.686 176.117 -0.390 0.000 1.122 118 I CA 0.592 61.703 61.300 -0.316 0.000 1.431 118 I CB -0.683 37.055 38.000 -0.437 0.000 1.087 118 I HN 0.066 nan 8.210 nan 0.000 0.424 119 V N 0.246 119.830 119.914 -0.550 0.000 2.719 119 V HA -0.191 3.929 4.120 0.001 0.000 0.252 119 V C 1.890 177.660 176.094 -0.540 0.000 1.065 119 V CA 1.486 63.302 62.300 -0.806 0.000 1.086 119 V CB -0.871 30.257 31.823 -1.157 0.000 0.700 119 V HN 0.470 nan 8.190 nan 0.000 0.467 120 H N -1.246 117.595 119.070 -0.381 0.000 2.586 120 H HA 0.310 4.866 4.556 0.001 0.000 0.273 120 H C 1.474 176.683 175.328 -0.198 0.000 0.997 120 H CA 0.009 55.890 56.048 -0.278 0.000 1.177 120 H CB 0.560 30.203 29.762 -0.199 0.000 1.471 120 H HN 0.499 nan 8.280 nan 0.000 0.538 121 G N 0.530 109.279 108.800 -0.085 0.000 2.829 121 G HA2 0.139 4.099 3.960 0.001 0.000 0.173 121 G HA3 0.139 4.099 3.960 0.001 0.000 0.173 121 G C 0.079 174.960 174.900 -0.032 0.000 1.476 121 G CA -0.231 44.837 45.100 -0.054 0.000 1.072 121 G HN 0.296 nan 8.290 nan 0.000 0.577 122 S N -1.022 114.676 115.700 -0.004 0.000 2.632 122 S HA 0.471 4.941 4.470 0.001 0.000 0.271 122 S C 1.569 176.214 174.600 0.075 0.000 1.260 122 S CA 0.291 58.519 58.200 0.046 0.000 1.010 122 S CB 1.256 64.488 63.200 0.054 0.000 0.965 122 S HN 0.972 nan 8.310 nan 0.000 0.534 123 G N 1.364 110.263 108.800 0.164 0.000 2.446 123 G HA2 -0.191 3.769 3.960 0.001 0.000 0.217 123 G HA3 -0.191 3.769 3.960 0.001 0.000 0.217 123 G C 1.489 176.575 174.900 0.310 0.000 1.168 123 G CA 0.977 46.252 45.100 0.291 0.000 0.771 123 G HN 0.709 nan 8.290 nan 0.000 0.551 124 S N -0.003 115.825 115.700 0.212 0.000 2.370 124 S HA -0.201 4.270 4.470 0.001 0.000 0.226 124 S C 2.307 176.992 174.600 0.141 0.000 1.033 124 S CA 1.777 60.084 58.200 0.178 0.000 1.011 124 S CB -0.293 62.971 63.200 0.107 0.000 0.852 124 S HN 0.675 nan 8.310 nan 0.000 0.457 125 Q N 0.239 120.089 119.800 0.083 0.000 2.119 125 Q HA -0.113 4.228 4.340 0.001 0.000 0.201 125 Q C 2.175 178.185 176.000 0.016 0.000 0.972 125 Q CA 1.192 57.020 55.803 0.041 0.000 0.847 125 Q CB -0.226 28.514 28.738 0.004 0.000 0.903 125 Q HN 0.453 nan 8.270 nan 0.000 0.433 126 L N 0.032 121.232 121.223 -0.038 0.000 2.005 126 L HA -0.046 4.295 4.340 0.001 0.000 0.207 126 L C 1.846 178.585 176.870 -0.219 0.000 1.072 126 L CA 1.781 56.513 54.840 -0.179 0.000 0.744 126 L CB -0.732 41.143 42.059 -0.307 0.000 0.895 126 L HN 0.289 nan 8.230 nan 0.000 0.433 127 F N 0.019 120.030 119.950 0.102 0.000 2.293 127 F HA -0.162 4.365 4.527 0.001 0.000 0.300 127 F C 2.207 178.038 175.800 0.051 0.000 1.086 127 F CA 1.079 59.118 58.000 0.065 0.000 1.375 127 F CB -0.474 38.554 39.000 0.048 0.000 1.045 127 F HN 0.192 nan 8.300 nan 0.000 0.516 128 D N -1.050 119.460 120.400 0.183 0.000 2.117 128 D HA -0.194 4.446 4.640 0.001 0.000 0.198 128 D C 1.960 178.338 176.300 0.131 0.000 0.982 128 D CA 1.359 55.438 54.000 0.132 0.000 0.828 128 D CB -0.544 40.318 40.800 0.105 0.000 0.967 128 D HN 0.318 nan 8.370 nan 0.000 0.464 129 H N 0.788 119.872 119.070 0.022 0.000 2.290 129 H HA -0.088 4.468 4.556 0.001 0.000 0.298 129 H C 2.000 177.363 175.328 0.059 0.000 1.087 129 H CA 1.623 57.686 56.048 0.024 0.000 1.291 129 H CB -0.335 29.418 29.762 -0.015 0.000 1.369 129 H HN -0.111 nan 8.280 nan 0.000 0.492 130 V N 0.700 120.611 119.914 -0.005 0.000 2.332 130 V HA -0.287 3.833 4.120 0.001 0.000 0.248 130 V C 2.737 178.849 176.094 0.030 0.000 1.055 130 V CA 1.827 64.125 62.300 -0.004 0.000 1.038 130 V CB -1.303 30.491 31.823 -0.049 0.000 0.651 130 V HN 0.710 nan 8.190 nan 0.000 0.450 131 A N -0.606 122.258 122.820 0.072 0.000 1.969 131 A HA -0.254 4.067 4.320 0.001 0.000 0.218 131 A C 2.292 179.956 177.584 0.133 0.000 1.169 131 A CA 1.900 54.015 52.037 0.130 0.000 0.635 131 A CB -0.426 18.639 19.000 0.108 0.000 0.810 131 A HN 0.662 nan 8.150 nan 0.000 0.445 132 E N -0.772 119.451 120.200 0.039 0.000 2.072 132 E HA -0.155 4.195 4.350 0.001 0.000 0.190 132 E C 1.847 178.383 176.600 -0.105 0.000 0.982 132 E CA 1.346 57.755 56.400 0.016 0.000 0.803 132 E CB -0.219 29.490 29.700 0.016 0.000 0.755 132 E HN 0.585 nan 8.360 nan 0.000 0.453 133 C N 0.623 119.746 119.300 -0.296 0.000 2.435 133 C HA -0.059 4.402 4.460 0.001 0.000 0.279 133 C C 2.532 177.182 174.990 -0.566 0.000 1.321 133 C CA 0.215 58.812 59.018 -0.702 0.000 1.752 133 C CB -0.893 26.159 27.740 -1.146 0.000 1.959 133 C HN 0.522 nan 8.230 nan 0.000 0.500 134 L N 1.981 123.024 121.223 -0.301 0.000 2.027 134 L HA 0.082 4.422 4.340 0.001 0.000 0.206 134 L C 2.415 179.122 176.870 -0.272 0.000 1.074 134 L CA 2.456 57.160 54.840 -0.226 0.000 0.745 134 L CB -1.463 40.525 42.059 -0.118 0.000 0.898 134 L HN 0.311 nan 8.230 nan 0.000 0.433 135 G N -0.887 107.757 108.800 -0.260 0.000 2.459 135 G HA2 -0.409 3.551 3.960 0.001 0.000 0.217 135 G HA3 -0.409 3.551 3.960 0.001 0.000 0.217 135 G C 1.311 176.132 174.900 -0.133 0.000 1.183 135 G CA 1.015 45.929 45.100 -0.310 0.000 0.776 135 G HN 0.544 nan 8.290 nan 0.000 0.552 136 D N -0.648 119.728 120.400 -0.040 0.000 2.116 136 D HA -0.200 4.441 4.640 0.001 0.000 0.193 136 D C 2.042 178.384 176.300 0.069 0.000 0.998 136 D CA 1.144 55.166 54.000 0.036 0.000 0.836 136 D CB -0.299 40.569 40.800 0.114 0.000 0.951 136 D HN 0.253 nan 8.370 nan 0.000 0.449 137 F N 0.411 120.334 119.950 -0.046 0.000 2.102 137 F HA -0.109 4.418 4.527 0.001 0.000 0.298 137 F C 2.164 177.918 175.800 -0.076 0.000 1.105 137 F CA 1.462 59.462 58.000 -0.002 0.000 1.239 137 F CB -0.169 38.815 39.000 -0.027 0.000 0.991 137 F HN 0.005 nan 8.300 nan 0.000 0.474 138 M N -0.444 119.163 119.600 0.011 0.000 2.200 138 M HA -0.152 4.329 4.480 0.001 0.000 0.265 138 M C 2.125 178.344 176.300 -0.135 0.000 1.066 138 M CA 1.575 56.818 55.300 -0.096 0.000 1.127 138 M CB -0.614 31.876 32.600 -0.182 0.000 1.379 138 M HN 0.186 nan 8.290 nan 0.000 0.420 139 E N 1.079 121.211 120.200 -0.113 0.000 2.012 139 E HA -0.207 4.144 4.350 0.001 0.000 0.197 139 E C 1.947 178.492 176.600 -0.092 0.000 1.007 139 E CA 1.486 57.840 56.400 -0.076 0.000 0.816 139 E CB 0.102 29.777 29.700 -0.042 0.000 0.762 139 E HN 0.329 nan 8.360 nan 0.000 0.451 140 K N -0.136 120.196 120.400 -0.112 0.000 2.127 140 K HA -0.186 4.135 4.320 0.001 0.000 0.208 140 K C 1.999 178.497 176.600 -0.169 0.000 1.047 140 K CA 1.508 57.715 56.287 -0.132 0.000 0.927 140 K CB -0.048 32.359 32.500 -0.156 0.000 0.716 140 K HN 0.013 nan 8.250 nan 0.000 0.450 141 R N 0.328 120.687 120.500 -0.235 0.000 2.334 141 R HA 0.069 4.410 4.340 0.001 0.000 0.216 141 R C -0.407 175.813 176.300 -0.134 0.000 0.905 141 R CA -0.081 55.890 56.100 -0.216 0.000 1.064 141 R CB 0.398 30.493 30.300 -0.342 0.000 1.046 141 R HN -0.059 nan 8.270 nan 0.000 0.508 142 K N 0.938 121.273 120.400 -0.108 0.000 3.451 142 K HA -0.154 4.167 4.320 0.001 0.000 0.273 142 K C 0.252 176.815 176.600 -0.062 0.000 0.944 142 K CA 0.778 57.023 56.287 -0.070 0.000 0.734 142 K CB -1.468 31.000 32.500 -0.053 0.000 1.437 142 K HN 0.515 nan 8.250 nan 0.000 0.454 143 I N -3.769 116.761 120.570 -0.067 0.000 3.947 143 I HA 0.131 4.302 4.170 0.001 0.000 0.327 143 I C 1.082 177.179 176.117 -0.033 0.000 1.519 143 I CA -0.683 60.590 61.300 -0.045 0.000 1.122 143 I CB 0.441 38.419 38.000 -0.037 0.000 1.146 143 I HN 0.043 nan 8.210 nan 0.000 0.442 144 K N 1.527 121.907 120.400 -0.033 0.000 2.281 144 K HA -0.092 4.228 4.320 0.001 0.000 0.203 144 K C 0.415 177.027 176.600 0.021 0.000 1.046 144 K CA 1.392 57.675 56.287 -0.008 0.000 0.938 144 K CB 0.031 32.535 32.500 0.008 0.000 0.737 144 K HN 0.484 nan 8.250 nan 0.000 0.458 145 D N -0.278 120.127 120.400 0.008 0.000 2.431 145 D HA 0.015 4.656 4.640 0.001 0.000 0.213 145 D C 0.866 177.166 176.300 0.000 0.000 1.130 145 D CA 0.138 54.145 54.000 0.012 0.000 0.834 145 D CB 0.584 41.389 40.800 0.008 0.000 0.985 145 D HN 0.014 nan 8.370 nan 0.000 0.504 146 K N 0.943 121.336 120.400 -0.012 0.000 2.432 146 K HA 0.023 4.344 4.320 0.001 0.000 0.196 146 K C 0.576 177.152 176.600 -0.039 0.000 1.038 146 K CA 0.040 56.311 56.287 -0.028 0.000 0.986 146 K CB 0.403 32.877 32.500 -0.043 0.000 0.782 146 K HN 0.088 nan 8.250 nan 0.000 0.485 147 K N 1.098 121.484 120.400 -0.022 0.000 3.125 147 K HA -0.140 4.180 4.320 0.001 0.000 0.268 147 K C -0.642 175.903 176.600 -0.093 0.000 1.078 147 K CA 0.189 56.459 56.287 -0.028 0.000 0.775 147 K CB -1.842 30.652 32.500 -0.011 0.000 1.253 147 K HN 0.186 nan 8.250 nan 0.000 0.486 148 L N 1.404 122.571 121.223 -0.094 0.000 2.418 148 L HA 0.166 4.506 4.340 0.001 0.000 0.274 148 L C -1.735 175.074 176.870 -0.102 0.000 1.135 148 L CA -1.896 52.851 54.840 -0.155 0.000 0.870 148 L CB -0.105 41.890 42.059 -0.108 0.000 1.154 148 L HN -0.127 nan 8.230 nan 0.000 0.462 149 P HA 0.028 nan 4.420 nan 0.000 0.265 149 P C -0.636 176.725 177.300 0.102 0.000 1.193 149 P CA -0.085 63.001 63.100 -0.023 0.000 0.765 149 P CB 0.723 32.383 31.700 -0.066 0.000 0.823 150 V N 3.329 123.291 119.914 0.081 0.000 2.435 150 V HA 0.655 4.776 4.120 0.001 0.000 0.290 150 V C 0.837 176.977 176.094 0.077 0.000 1.030 150 V CA -0.275 62.067 62.300 0.069 0.000 0.881 150 V CB 1.533 33.377 31.823 0.034 0.000 0.983 150 V HN 0.722 nan 8.190 nan 0.000 0.445 151 G N 2.867 111.711 108.800 0.074 0.000 2.420 151 G HA2 0.668 4.629 3.960 0.001 0.000 0.331 151 G HA3 0.668 4.629 3.960 0.001 0.000 0.331 151 G C -1.384 173.633 174.900 0.195 0.000 1.168 151 G CA -0.470 44.685 45.100 0.092 0.000 0.936 151 G HN 0.609 nan 8.290 nan 0.000 0.479 152 F N 2.063 122.036 119.950 0.038 0.000 2.496 152 F HA 0.355 4.883 4.527 0.001 0.000 0.341 152 F C 0.002 175.868 175.800 0.110 0.000 1.134 152 F CA -0.860 57.189 58.000 0.081 0.000 0.968 152 F CB 1.721 40.764 39.000 0.072 0.000 1.205 152 F HN 0.332 nan 8.300 nan 0.000 0.436 153 T N 7.014 121.766 114.554 0.330 0.000 2.727 153 T HA 0.166 4.517 4.350 0.001 0.000 0.295 153 T C -0.916 173.830 174.700 0.077 0.000 0.915 153 T CA 0.237 62.414 62.100 0.128 0.000 1.066 153 T CB 0.034 68.967 68.868 0.108 0.000 0.891 153 T HN 0.474 nan 8.240 nan 0.000 0.516 154 F N 3.822 123.565 119.950 -0.345 0.000 2.513 154 F HA 0.342 4.870 4.527 0.001 0.000 0.358 154 F C 0.546 176.192 175.800 -0.257 0.000 1.118 154 F CA -0.939 56.821 58.000 -0.399 0.000 1.037 154 F CB 1.035 39.548 39.000 -0.811 0.000 1.276 154 F HN 0.482 nan 8.300 nan 0.000 0.446 155 S N 5.226 120.528 115.700 -0.663 0.000 3.983 155 S HA 0.441 4.912 4.470 0.001 0.000 0.194 155 S C -0.842 172.943 174.600 -1.357 0.000 1.464 155 S CA -0.279 57.430 58.200 -0.819 0.000 1.021 155 S CB -1.029 61.790 63.200 -0.636 0.000 1.424 155 S HN 0.449 nan 8.310 nan 0.000 0.473 156 F N 0.644 120.262 119.950 -0.553 0.000 2.613 156 F HA 0.547 5.074 4.527 0.001 0.000 0.310 156 F C -2.617 173.033 175.800 -0.251 0.000 1.085 156 F CA -2.641 55.099 58.000 -0.435 0.000 0.945 156 F CB 1.617 40.195 39.000 -0.703 0.000 1.298 156 F HN 0.005 nan 8.300 nan 0.000 0.455 157 P HA 0.152 nan 4.420 nan 0.000 0.271 157 P C -0.962 176.360 177.300 0.035 0.000 1.233 157 P CA 0.078 63.195 63.100 0.028 0.000 0.764 157 P CB 0.533 32.264 31.700 0.051 0.000 0.825 158 C N 3.300 122.625 119.300 0.041 0.000 2.626 158 C HA 0.391 4.851 4.460 0.001 0.000 0.310 158 C C 0.222 175.233 174.990 0.036 0.000 1.191 158 C CA -0.476 58.571 59.018 0.049 0.000 1.517 158 C CB 1.903 29.696 27.740 0.089 0.000 2.102 158 C HN 0.564 nan 8.230 nan 0.000 0.479 159 Q N 2.321 122.133 119.800 0.021 0.000 2.294 159 Q HA 0.402 4.742 4.340 0.001 0.000 0.257 159 Q C -0.983 175.027 176.000 0.016 0.000 0.955 159 Q CA 0.339 56.157 55.803 0.024 0.000 0.936 159 Q CB 0.623 29.368 28.738 0.011 0.000 1.188 159 Q HN 0.758 nan 8.270 nan 0.000 0.420 160 Q N 2.221 122.048 119.800 0.045 0.000 2.304 160 Q HA 0.226 4.567 4.340 0.001 0.000 0.270 160 Q C -0.189 175.809 176.000 -0.003 0.000 1.035 160 Q CA -0.343 55.469 55.803 0.014 0.000 0.781 160 Q CB 2.161 30.939 28.738 0.066 0.000 1.261 160 Q HN 0.888 nan 8.270 nan 0.000 0.444 161 S N 1.491 117.072 115.700 -0.197 0.000 2.523 161 S HA 0.145 4.615 4.470 0.001 0.000 0.217 161 S C 0.179 174.192 174.600 -0.978 0.000 0.996 161 S CA -0.079 57.906 58.200 -0.359 0.000 0.921 161 S CB 0.192 63.279 63.200 -0.189 0.000 0.829 161 S HN 0.597 nan 8.310 nan 0.000 0.495 162 K N -0.769 119.144 120.400 -0.811 0.000 2.579 162 K HA 0.477 4.798 4.320 0.001 0.000 0.284 162 K C -0.054 176.326 176.600 -0.367 0.000 0.990 162 K CA -0.914 54.916 56.287 -0.763 0.000 0.880 162 K CB 0.407 32.669 32.500 -0.396 0.000 1.488 162 K HN -0.109 nan 8.250 nan 0.000 0.425 163 I N 1.608 122.067 120.570 -0.185 0.000 2.335 163 I HA -0.213 3.957 4.170 0.001 0.000 0.251 163 I C 0.860 176.956 176.117 -0.035 0.000 1.129 163 I CA 1.812 63.094 61.300 -0.030 0.000 1.402 163 I CB -0.333 37.682 38.000 0.024 0.000 1.069 163 I HN 0.819 nan 8.210 nan 0.000 0.424 164 D N -0.122 120.243 120.400 -0.059 0.000 2.460 164 D HA 0.033 4.674 4.640 0.001 0.000 0.229 164 D C 0.350 176.617 176.300 -0.056 0.000 1.170 164 D CA -0.075 53.904 54.000 -0.036 0.000 0.827 164 D CB -0.376 40.410 40.800 -0.023 0.000 0.973 164 D HN 0.525 nan 8.370 nan 0.000 0.496 165 E N -0.086 120.067 120.200 -0.078 0.000 2.293 165 E HA 0.615 4.965 4.350 0.001 0.000 0.270 165 E C -1.770 174.790 176.600 -0.067 0.000 0.879 165 E CA -1.123 55.226 56.400 -0.084 0.000 0.756 165 E CB 1.925 31.560 29.700 -0.109 0.000 1.208 165 E HN 0.048 nan 8.360 nan 0.000 0.428 166 A N 5.374 128.150 122.820 -0.072 0.000 2.768 166 A HA 0.364 4.684 4.320 0.001 0.000 0.298 166 A C -1.100 176.444 177.584 -0.067 0.000 1.159 166 A CA -0.541 51.465 52.037 -0.052 0.000 0.783 166 A CB 0.104 19.074 19.000 -0.051 0.000 1.333 166 A HN 0.610 nan 8.150 nan 0.000 0.412 167 I N 2.704 123.247 120.570 -0.045 0.000 2.322 167 I HA 0.133 4.303 4.170 0.001 0.000 0.292 167 I C 0.245 176.340 176.117 -0.037 0.000 1.060 167 I CA -0.636 60.632 61.300 -0.054 0.000 1.309 167 I CB 1.163 39.135 38.000 -0.047 0.000 1.415 167 I HN 0.638 nan 8.210 nan 0.000 0.492 168 L N 8.260 129.445 121.223 -0.063 0.000 2.584 168 L HA 0.055 4.395 4.340 0.001 0.000 0.272 168 L C 0.695 177.498 176.870 -0.112 0.000 1.195 168 L CA 0.977 55.761 54.840 -0.094 0.000 0.920 168 L CB 0.181 42.076 42.059 -0.273 0.000 1.173 168 L HN 0.560 nan 8.230 nan 0.000 0.489 169 I N 2.562 123.088 120.570 -0.073 0.000 2.270 169 I HA 0.001 4.172 4.170 0.001 0.000 0.239 169 I C 0.391 176.464 176.117 -0.073 0.000 1.080 169 I CA 0.781 62.053 61.300 -0.047 0.000 1.383 169 I CB -0.117 37.883 38.000 -0.001 0.000 1.097 169 I HN 0.635 nan 8.210 nan 0.000 0.420 170 T N -0.966 113.540 114.554 -0.079 0.000 2.956 170 T HA 0.269 4.619 4.350 0.001 0.000 0.312 170 T C -1.407 173.262 174.700 -0.052 0.000 1.151 170 T CA -0.541 61.532 62.100 -0.046 0.000 1.024 170 T CB 1.320 70.225 68.868 0.061 0.000 1.140 170 T HN 0.030 nan 8.240 nan 0.000 0.473 171 W N 2.353 123.676 121.300 0.039 0.000 2.170 171 W HA 0.454 5.115 4.660 0.001 0.000 0.336 171 W C 1.153 177.758 176.519 0.144 0.000 1.283 171 W CA -0.117 57.223 57.345 -0.007 0.000 1.224 171 W CB 0.812 30.262 29.460 -0.016 0.000 1.132 171 W HN 0.806 nan 8.180 nan 0.000 0.571 172 T N -0.993 113.921 114.554 0.600 0.000 2.804 172 T HA 0.625 4.975 4.350 0.001 0.000 0.290 172 T C -0.051 174.958 174.700 0.516 0.000 1.099 172 T CA -0.901 61.480 62.100 0.468 0.000 1.011 172 T CB 2.120 71.209 68.868 0.368 0.000 1.291 172 T HN 0.597 nan 8.240 nan 0.000 0.523 173 K N -0.246 120.396 120.400 0.403 0.000 1.844 173 K HA -0.262 4.058 4.320 0.001 0.000 0.160 173 K C 1.357 178.159 176.600 0.336 0.000 1.448 173 K CA 1.339 57.832 56.287 0.342 0.000 0.446 173 K CB -0.987 31.681 32.500 0.280 0.000 0.635 173 K HN 0.698 nan 8.250 nan 0.000 0.848 174 R N 0.191 120.906 120.500 0.358 0.000 2.280 174 R HA 0.170 4.511 4.340 0.001 0.000 0.195 174 R C 0.229 176.673 176.300 0.239 0.000 0.935 174 R CA 0.064 56.324 56.100 0.267 0.000 1.033 174 R CB 0.029 30.403 30.300 0.122 0.000 0.964 174 R HN 0.083 nan 8.270 nan 0.000 0.489 175 F N 1.286 121.244 119.950 0.013 0.000 2.399 175 F HA 0.241 4.768 4.527 0.001 0.000 0.342 175 F C 0.667 176.147 175.800 -0.534 0.000 1.106 175 F CA -0.365 57.402 58.000 -0.388 0.000 1.196 175 F CB 0.968 39.486 39.000 -0.805 0.000 1.163 175 F HN -0.287 nan 8.300 nan 0.000 0.547 176 K N 1.934 121.956 120.400 -0.629 0.000 3.204 176 K HA 0.550 4.870 4.320 0.001 0.000 0.196 176 K C -1.438 174.868 176.600 -0.490 0.000 1.229 176 K CA -0.062 55.881 56.287 -0.573 0.000 0.820 176 K CB 0.367 32.757 32.500 -0.184 0.000 1.130 176 K HN 0.655 nan 8.250 nan 0.000 0.569 177 A N 1.495 123.864 122.820 -0.752 0.000 2.289 177 A HA 0.509 4.829 4.320 0.001 0.000 0.298 177 A C 0.222 177.946 177.584 0.234 0.000 1.208 177 A CA -0.374 51.573 52.037 -0.151 0.000 0.845 177 A CB 0.501 19.431 19.000 -0.118 0.000 1.125 177 A HN 0.593 nan 8.150 nan 0.000 0.517 178 S N 1.944 117.733 115.700 0.149 0.000 2.584 178 S HA 0.464 4.934 4.470 0.001 0.000 0.270 178 S C 1.128 175.860 174.600 0.219 0.000 1.346 178 S CA 0.254 58.565 58.200 0.185 0.000 1.018 178 S CB 0.711 63.973 63.200 0.103 0.000 0.899 178 S HN 2.515 nan 8.310 nan 0.000 0.542 179 G N 0.285 109.198 108.800 0.187 0.000 2.160 179 G HA2 -0.215 3.745 3.960 0.001 0.000 0.251 179 G HA3 -0.215 3.745 3.960 0.001 0.000 0.251 179 G C 0.326 175.332 174.900 0.176 0.000 1.008 179 G CA 0.187 45.378 45.100 0.152 0.000 0.724 179 G HN 1.074 nan 8.290 nan 0.000 0.514 180 V N -0.660 119.398 119.914 0.239 0.000 3.219 180 V HA 0.199 4.319 4.120 0.001 0.000 0.240 180 V C 1.337 177.411 176.094 -0.034 0.000 1.222 180 V CA 0.864 63.273 62.300 0.181 0.000 1.181 180 V CB 0.195 32.283 31.823 0.442 0.000 0.941 180 V HN 0.466 nan 8.190 nan 0.000 0.471 181 E N 0.999 121.151 120.200 -0.080 0.000 2.415 181 E HA 0.326 4.676 4.350 0.001 0.000 0.263 181 E C 1.229 177.792 176.600 -0.062 0.000 0.995 181 E CA 0.889 57.202 56.400 -0.146 0.000 0.915 181 E CB 0.384 30.024 29.700 -0.100 0.000 0.951 181 E HN 0.498 nan 8.360 nan 0.000 0.449 182 G N 1.905 110.664 108.800 -0.070 0.000 2.179 182 G HA2 -0.280 3.680 3.960 0.001 0.000 0.260 182 G HA3 -0.280 3.680 3.960 0.001 0.000 0.260 182 G C 0.124 174.996 174.900 -0.046 0.000 0.977 182 G CA 0.071 45.145 45.100 -0.043 0.000 0.641 182 G HN 0.763 nan 8.290 nan 0.000 0.533 183 A N -0.341 122.443 122.820 -0.061 0.000 2.355 183 A HA 0.648 4.968 4.320 0.001 0.000 0.324 183 A C -0.307 177.212 177.584 -0.108 0.000 1.117 183 A CA 0.041 52.035 52.037 -0.072 0.000 0.785 183 A CB 1.182 20.147 19.000 -0.059 0.000 1.254 183 A HN 0.321 nan 8.150 nan 0.000 0.453 184 D N 1.889 122.218 120.400 -0.118 0.000 2.338 184 D HA 0.167 4.808 4.640 0.001 0.000 0.255 184 D C 1.441 177.610 176.300 -0.218 0.000 1.237 184 D CA 0.265 54.181 54.000 -0.139 0.000 0.883 184 D CB 1.105 41.835 40.800 -0.116 0.000 1.087 184 D HN 0.436 nan 8.370 nan 0.000 0.485 185 V N 2.585 122.333 119.914 -0.275 0.000 2.759 185 V HA -0.148 3.972 4.120 0.001 0.000 0.256 185 V C 1.921 177.783 176.094 -0.386 0.000 1.080 185 V CA 0.946 62.966 62.300 -0.466 0.000 1.101 185 V CB -0.620 30.846 31.823 -0.593 0.000 0.698 185 V HN 0.410 nan 8.190 nan 0.000 0.477 186 V N 0.514 120.307 119.914 -0.202 0.000 2.343 186 V HA -0.217 3.903 4.120 0.001 0.000 0.247 186 V C 2.790 178.786 176.094 -0.164 0.000 1.051 186 V CA 2.522 64.752 62.300 -0.116 0.000 1.036 186 V CB -0.892 30.895 31.823 -0.059 0.000 0.654 186 V HN 0.540 nan 8.190 nan 0.000 0.451 187 K N -0.161 120.132 120.400 -0.178 0.000 2.057 187 K HA -0.034 4.286 4.320 0.001 0.000 0.206 187 K C 2.156 178.627 176.600 -0.215 0.000 1.050 187 K CA 1.166 57.356 56.287 -0.161 0.000 0.935 187 K CB -0.287 32.136 32.500 -0.130 0.000 0.715 187 K HN 0.353 nan 8.250 nan 0.000 0.439 188 L N 0.794 121.813 121.223 -0.339 0.000 2.012 188 L HA -0.221 4.119 4.340 0.001 0.000 0.210 188 L C 2.483 179.103 176.870 -0.418 0.000 1.073 188 L CA 0.683 55.267 54.840 -0.428 0.000 0.748 188 L CB -0.499 41.108 42.059 -0.752 0.000 0.891 188 L HN 0.175 nan 8.230 nan 0.000 0.431 189 L N 0.326 121.234 121.223 -0.524 0.000 1.994 189 L HA -0.209 4.132 4.340 0.001 0.000 0.208 189 L C 2.291 179.084 176.870 -0.129 0.000 1.071 189 L CA 1.817 56.512 54.840 -0.241 0.000 0.745 189 L CB -0.967 40.978 42.059 -0.191 0.000 0.892 189 L HN 0.228 nan 8.230 nan 0.000 0.431 190 N N 0.210 118.829 118.700 -0.135 0.000 2.094 190 N HA -0.266 4.474 4.740 0.001 0.000 0.191 190 N C 1.858 177.311 175.510 -0.095 0.000 1.023 190 N CA 1.675 54.665 53.050 -0.100 0.000 0.857 190 N CB -0.327 38.107 38.487 -0.089 0.000 1.013 190 N HN 0.465 nan 8.380 nan 0.000 0.426 191 K N 0.709 121.050 120.400 -0.098 0.000 2.032 191 K HA -0.061 4.259 4.320 0.001 0.000 0.209 191 K C 1.904 178.474 176.600 -0.051 0.000 1.048 191 K CA 1.456 57.700 56.287 -0.072 0.000 0.927 191 K CB -0.131 32.328 32.500 -0.068 0.000 0.712 191 K HN 0.121 nan 8.250 nan 0.000 0.441 192 A N 0.981 123.783 122.820 -0.030 0.000 1.930 192 A HA -0.098 4.223 4.320 0.001 0.000 0.217 192 A C 2.077 179.639 177.584 -0.037 0.000 1.175 192 A CA 1.345 53.389 52.037 0.012 0.000 0.627 192 A CB -0.480 18.581 19.000 0.101 0.000 0.815 192 A HN 0.365 nan 8.150 nan 0.000 0.443 193 I N -0.651 119.868 120.570 -0.086 0.000 2.252 193 I HA -0.231 3.939 4.170 0.001 0.000 0.245 193 I C 2.561 178.530 176.117 -0.247 0.000 1.102 193 I CA 1.606 62.777 61.300 -0.214 0.000 1.385 193 I CB -0.184 37.672 38.000 -0.240 0.000 1.064 193 I HN 0.336 nan 8.210 nan 0.000 0.414 194 K N 1.579 121.882 120.400 -0.161 0.000 2.026 194 K HA -0.272 4.049 4.320 0.001 0.000 0.208 194 K C 2.233 178.772 176.600 -0.102 0.000 1.048 194 K CA 1.713 57.922 56.287 -0.129 0.000 0.929 194 K CB -0.135 32.311 32.500 -0.090 0.000 0.713 194 K HN 0.143 nan 8.250 nan 0.000 0.439 195 K N 0.394 120.750 120.400 -0.073 0.000 2.113 195 K HA -0.189 4.131 4.320 0.001 0.000 0.208 195 K C 2.069 178.639 176.600 -0.050 0.000 1.047 195 K CA 1.227 57.486 56.287 -0.046 0.000 0.928 195 K CB 0.011 32.498 32.500 -0.021 0.000 0.716 195 K HN 0.038 nan 8.250 nan 0.000 0.446 196 R N -0.552 119.902 120.500 -0.076 0.000 2.073 196 R HA -0.080 4.260 4.340 0.001 0.000 0.234 196 R C 1.875 178.133 176.300 -0.070 0.000 1.134 196 R CA 1.475 57.535 56.100 -0.065 0.000 0.952 196 R CB -1.128 29.103 30.300 -0.115 0.000 0.850 196 R HN 0.625 nan 8.270 nan 0.000 0.433 197 G N 0.648 109.375 108.800 -0.121 0.000 2.162 197 G HA2 -0.297 3.663 3.960 0.001 0.000 0.260 197 G HA3 -0.297 3.663 3.960 0.001 0.000 0.260 197 G C 0.611 175.467 174.900 -0.073 0.000 0.976 197 G CA 0.759 45.803 45.100 -0.093 0.000 0.655 197 G HN 0.325 nan 8.290 nan 0.000 0.533 198 D N -0.838 119.515 120.400 -0.078 0.000 2.213 198 D HA 0.226 4.866 4.640 0.001 0.000 0.205 198 D C 0.889 177.281 176.300 0.153 0.000 0.961 198 D CA 1.693 55.726 54.000 0.055 0.000 0.853 198 D CB 0.104 41.011 40.800 0.178 0.000 0.967 198 D HN 0.827 nan 8.370 nan 0.000 0.496 199 Y N -2.419 117.881 120.300 0.001 0.000 2.702 199 Y HA 0.458 5.009 4.550 0.001 0.000 0.336 199 Y C -1.637 174.261 175.900 -0.002 0.000 1.203 199 Y CA -1.464 56.636 58.100 0.001 0.000 1.072 199 Y CB 0.559 39.021 38.460 0.004 0.000 1.327 199 Y HN -0.376 nan 8.280 nan 0.000 0.456 200 D N 1.162 121.662 120.400 0.167 0.000 2.181 200 D HA 0.702 5.343 4.640 0.001 0.000 0.248 200 D C -0.998 175.437 176.300 0.225 0.000 1.020 200 D CA -0.216 53.832 54.000 0.080 0.000 0.891 200 D CB 1.962 42.793 40.800 0.052 0.000 1.187 200 D HN 0.922 nan 8.370 nan 0.000 0.443 201 A N 1.527 124.427 122.820 0.133 0.000 2.437 201 A HA 0.372 4.693 4.320 0.001 0.000 0.293 201 A C -0.903 176.722 177.584 0.069 0.000 1.038 201 A CA -0.828 51.298 52.037 0.149 0.000 0.708 201 A CB 1.026 20.170 19.000 0.239 0.000 1.251 201 A HN 0.345 nan 8.150 nan 0.000 0.409 202 N N 2.768 121.507 118.700 0.065 0.000 2.645 202 N HA 0.325 5.066 4.740 0.001 0.000 0.233 202 N C -0.918 174.629 175.510 0.062 0.000 1.058 202 N CA -0.347 52.740 53.050 0.061 0.000 0.942 202 N CB -0.095 38.442 38.487 0.083 0.000 1.210 202 N HN 0.549 nan 8.380 nan 0.000 0.512 203 I N 3.686 124.283 120.570 0.044 0.000 2.389 203 I HA -0.019 4.152 4.170 0.001 0.000 0.295 203 I C 1.450 177.603 176.117 0.060 0.000 1.117 203 I CA -0.344 60.985 61.300 0.049 0.000 1.317 203 I CB 0.603 38.619 38.000 0.027 0.000 1.431 203 I HN 0.399 nan 8.210 nan 0.000 0.521 204 V N 3.082 123.044 119.914 0.079 0.000 3.660 204 V HA 0.591 4.711 4.120 0.001 0.000 0.276 204 V C 0.674 176.801 176.094 0.054 0.000 1.317 204 V CA 0.301 62.647 62.300 0.077 0.000 1.097 204 V CB -0.089 31.814 31.823 0.132 0.000 0.863 204 V HN 0.662 nan 8.190 nan 0.000 0.438 205 A N -0.324 122.535 122.820 0.064 0.000 2.577 205 A HA 0.768 5.089 4.320 0.001 0.000 0.297 205 A C -1.235 176.403 177.584 0.090 0.000 1.060 205 A CA -0.358 51.710 52.037 0.052 0.000 0.697 205 A CB 1.973 20.988 19.000 0.025 0.000 1.281 205 A HN 0.446 nan 8.150 nan 0.000 0.402 206 V N 2.225 122.176 119.914 0.061 0.000 2.487 206 V HA 0.728 4.849 4.120 0.001 0.000 0.298 206 V C -0.085 176.020 176.094 0.018 0.000 1.028 206 V CA -0.447 61.880 62.300 0.046 0.000 0.860 206 V CB 1.380 33.196 31.823 -0.012 0.000 0.991 206 V HN 1.424 nan 8.190 nan 0.000 0.427 207 V N 1.322 121.241 119.914 0.007 0.000 2.962 207 V HA 0.629 4.750 4.120 0.001 0.000 0.313 207 V C -0.147 175.928 176.094 -0.031 0.000 1.099 207 V CA -0.901 61.396 62.300 -0.005 0.000 0.971 207 V CB 1.962 33.781 31.823 -0.006 0.000 1.028 207 V HN 0.817 nan 8.190 nan 0.000 0.430 208 N N 1.593 120.263 118.700 -0.049 0.000 2.444 208 N HA 0.026 4.767 4.740 0.001 0.000 0.255 208 N C 0.472 175.923 175.510 -0.098 0.000 1.255 208 N CA 0.331 53.324 53.050 -0.096 0.000 0.933 208 N CB 1.376 39.803 38.487 -0.101 0.000 1.143 208 N HN 1.005 nan 8.380 nan 0.000 0.453 209 D N 0.261 120.580 120.400 -0.134 0.000 2.269 209 D HA -0.155 4.486 4.640 0.001 0.000 0.208 209 D C 1.648 177.890 176.300 -0.096 0.000 0.963 209 D CA 1.413 55.352 54.000 -0.103 0.000 0.864 209 D CB -0.720 40.007 40.800 -0.123 0.000 0.936 209 D HN 0.677 nan 8.370 nan 0.000 0.505 210 T N -1.023 113.460 114.554 -0.119 0.000 2.708 210 T HA -0.124 4.227 4.350 0.001 0.000 0.266 210 T C 2.216 176.867 174.700 -0.081 0.000 1.037 210 T CA 1.276 63.306 62.100 -0.116 0.000 1.146 210 T CB -0.943 67.831 68.868 -0.156 0.000 0.865 210 T HN 0.058 nan 8.240 nan 0.000 0.435 211 V N 2.074 121.943 119.914 -0.076 0.000 2.343 211 V HA -0.006 4.114 4.120 0.001 0.000 0.247 211 V C 3.100 179.170 176.094 -0.041 0.000 1.051 211 V CA 1.864 64.130 62.300 -0.057 0.000 1.036 211 V CB -1.491 30.300 31.823 -0.053 0.000 0.654 211 V HN 0.700 nan 8.190 nan 0.000 0.451 212 G N -0.680 108.097 108.800 -0.039 0.000 2.408 212 G HA2 -0.219 3.741 3.960 0.001 0.000 0.217 212 G HA3 -0.219 3.741 3.960 0.001 0.000 0.217 212 G C 1.694 176.581 174.900 -0.021 0.000 1.150 212 G CA 1.452 46.536 45.100 -0.027 0.000 0.776 212 G HN 0.464 nan 8.290 nan 0.000 0.542 213 T N 0.857 115.395 114.554 -0.026 0.000 2.746 213 T HA -0.120 4.230 4.350 0.001 0.000 0.267 213 T C 2.259 176.958 174.700 -0.001 0.000 1.039 213 T CA 1.341 63.432 62.100 -0.015 0.000 1.142 213 T CB -0.203 68.646 68.868 -0.032 0.000 0.866 213 T HN 0.256 nan 8.240 nan 0.000 0.444 214 M N 0.286 119.880 119.600 -0.010 0.000 2.117 214 M HA -0.096 4.385 4.480 0.001 0.000 0.262 214 M C 1.913 178.222 176.300 0.015 0.000 1.065 214 M CA 1.548 56.850 55.300 0.003 0.000 1.114 214 M CB -0.173 32.421 32.600 -0.011 0.000 1.361 214 M HN 0.145 nan 8.290 nan 0.000 0.408 215 M N -0.616 118.989 119.600 0.008 0.000 2.156 215 M HA -0.101 4.379 4.480 0.001 0.000 0.264 215 M C 2.071 178.401 176.300 0.049 0.000 1.067 215 M CA 1.588 56.901 55.300 0.021 0.000 1.131 215 M CB -1.704 30.893 32.600 -0.005 0.000 1.368 215 M HN 0.262 nan 8.290 nan 0.000 0.416 216 T N 0.438 115.010 114.554 0.029 0.000 2.746 216 T HA -0.149 4.202 4.350 0.001 0.000 0.267 216 T C 2.019 176.777 174.700 0.096 0.000 1.039 216 T CA 1.507 63.631 62.100 0.040 0.000 1.142 216 T CB -0.342 68.539 68.868 0.022 0.000 0.866 216 T HN 0.415 nan 8.240 nan 0.000 0.444 217 C N 1.126 120.472 119.300 0.077 0.000 2.467 217 C HA 0.196 4.656 4.460 0.001 0.000 0.279 217 C C 3.037 178.079 174.990 0.087 0.000 1.347 217 C CA 0.054 59.123 59.018 0.084 0.000 1.748 217 C CB -1.376 26.403 27.740 0.066 0.000 1.977 217 C HN 0.712 nan 8.230 nan 0.000 0.501 218 G N -1.452 107.396 108.800 0.080 0.000 2.448 218 G HA2 -0.220 3.740 3.960 0.001 0.000 0.218 218 G HA3 -0.220 3.740 3.960 0.001 0.000 0.218 218 G C 1.333 176.282 174.900 0.082 0.000 1.135 218 G CA 0.416 45.552 45.100 0.059 0.000 0.784 218 G HN 0.601 nan 8.290 nan 0.000 0.543 219 Y N 1.333 121.633 120.300 0.000 0.000 2.224 219 Y HA -0.103 4.448 4.550 0.001 0.000 0.289 219 Y C 2.124 178.031 175.900 0.011 0.000 1.146 219 Y CA 1.852 59.955 58.100 0.005 0.000 1.182 219 Y CB 0.336 38.803 38.460 0.012 0.000 0.983 219 Y HN 0.173 nan 8.280 nan 0.000 0.524 220 D N -0.840 119.617 120.400 0.094 0.000 2.240 220 D HA -0.023 4.617 4.640 0.001 0.000 0.206 220 D C -0.158 176.140 176.300 -0.003 0.000 0.963 220 D CA 0.957 54.975 54.000 0.029 0.000 0.863 220 D CB 0.089 40.943 40.800 0.091 0.000 0.973 220 D HN 0.237 nan 8.370 nan 0.000 0.501 221 D N 0.352 120.760 120.400 0.013 0.000 2.542 221 D HA 0.036 4.676 4.640 0.001 0.000 0.252 221 D C 0.738 177.021 176.300 -0.028 0.000 1.222 221 D CA -0.299 53.712 54.000 0.018 0.000 0.895 221 D CB 1.211 42.050 40.800 0.066 0.000 1.207 221 D HN -0.038 nan 8.370 nan 0.000 0.558 222 Q N 2.289 122.013 119.800 -0.127 0.000 2.541 222 Q HA -0.083 4.257 4.340 0.001 0.000 0.215 222 Q C 0.252 176.062 176.000 -0.317 0.000 0.977 222 Q CA 0.962 56.629 55.803 -0.228 0.000 0.934 222 Q CB -0.004 28.561 28.738 -0.288 0.000 0.988 222 Q HN 0.494 nan 8.270 nan 0.000 0.521 223 H N -0.411 118.650 119.070 -0.015 0.000 2.539 223 H HA 0.126 4.683 4.556 0.001 0.000 0.269 223 H C 0.173 175.492 175.328 -0.015 0.000 0.980 223 H CA -0.353 55.685 56.048 -0.016 0.000 1.152 223 H CB 0.174 29.921 29.762 -0.024 0.000 1.407 223 H HN 0.272 nan 8.280 nan 0.000 0.564 224 C N 2.441 121.780 119.300 0.065 0.000 2.657 224 C HA 0.053 4.513 4.460 0.001 0.000 0.404 224 C C 1.288 176.299 174.990 0.035 0.000 1.369 224 C CA 0.233 59.278 59.018 0.045 0.000 1.665 224 C CB -0.673 27.089 27.740 0.036 0.000 2.453 224 C HN 0.543 nan 8.230 nan 0.000 0.599 225 E N 2.987 123.213 120.200 0.043 0.000 2.676 225 E HA 0.235 4.585 4.350 0.001 0.000 0.222 225 E C -0.656 175.991 176.600 0.077 0.000 0.968 225 E CA 0.039 56.471 56.400 0.053 0.000 1.090 225 E CB 1.106 30.850 29.700 0.073 0.000 1.066 225 E HN 0.549 nan 8.360 nan 0.000 0.496 226 V N 0.362 120.314 119.914 0.064 0.000 2.841 226 V HA 0.627 4.748 4.120 0.001 0.000 0.310 226 V C -0.112 176.005 176.094 0.039 0.000 1.090 226 V CA -1.022 61.327 62.300 0.081 0.000 0.930 226 V CB 2.068 33.949 31.823 0.097 0.000 1.014 226 V HN 0.149 nan 8.190 nan 0.000 0.425 227 G N 2.832 111.636 108.800 0.006 0.000 2.544 227 G HA2 0.675 4.635 3.960 0.001 0.000 0.313 227 G HA3 0.675 4.635 3.960 0.001 0.000 0.313 227 G C -1.729 173.126 174.900 -0.075 0.000 1.316 227 G CA -0.468 44.616 45.100 -0.027 0.000 0.944 227 G HN 0.590 nan 8.290 nan 0.000 0.489 228 L N 3.292 124.477 121.223 -0.063 0.000 2.385 228 L HA 0.709 5.050 4.340 0.001 0.000 0.273 228 L C -1.115 175.681 176.870 -0.122 0.000 0.990 228 L CA -0.991 53.789 54.840 -0.100 0.000 0.821 228 L CB 1.697 43.775 42.059 0.032 0.000 1.279 228 L HN 0.332 nan 8.230 nan 0.000 0.412 229 I N 6.635 127.125 120.570 -0.134 0.000 2.433 229 I HA 0.407 4.577 4.170 0.001 0.000 0.292 229 I C -0.510 175.580 176.117 -0.046 0.000 1.001 229 I CA -0.281 60.958 61.300 -0.102 0.000 1.119 229 I CB 1.764 39.701 38.000 -0.106 0.000 1.289 229 I HN 0.607 nan 8.210 nan 0.000 0.438 230 I N 5.628 126.157 120.570 -0.067 0.000 2.796 230 I HA 0.398 4.568 4.170 0.001 0.000 0.279 230 I C 0.464 176.535 176.117 -0.077 0.000 1.289 230 I CA -0.054 61.213 61.300 -0.054 0.000 1.021 230 I CB 1.379 39.321 38.000 -0.098 0.000 1.414 230 I HN 0.701 nan 8.210 nan 0.000 0.562 231 G N 1.381 110.150 108.800 -0.052 0.000 3.340 231 G HA2 0.214 4.175 3.960 0.001 0.000 0.176 231 G HA3 0.214 4.175 3.960 0.001 0.000 0.176 231 G C 0.689 175.562 174.900 -0.045 0.000 1.103 231 G CA 0.220 45.289 45.100 -0.052 0.000 0.779 231 G HN 0.199 nan 8.290 nan 0.000 0.673 232 T N 0.484 115.014 114.554 -0.040 0.000 2.624 232 T HA 0.050 4.400 4.350 0.001 0.000 0.268 232 T C 1.266 175.959 174.700 -0.012 0.000 1.041 232 T CA 1.792 63.865 62.100 -0.044 0.000 1.159 232 T CB -0.570 68.284 68.868 -0.024 0.000 0.863 232 T HN 0.726 nan 8.240 nan 0.000 0.434 233 G N -0.821 107.990 108.800 0.019 0.000 2.932 233 G HA2 0.563 4.523 3.960 0.001 0.000 0.283 233 G HA3 0.563 4.523 3.960 0.001 0.000 0.283 233 G C -1.151 173.803 174.900 0.090 0.000 1.336 233 G CA -0.374 44.785 45.100 0.099 0.000 1.056 233 G HN 0.238 nan 8.290 nan 0.000 0.522 234 T N -0.866 113.793 114.554 0.174 0.000 2.912 234 T HA 0.621 4.971 4.350 0.001 0.000 0.299 234 T C -1.162 173.699 174.700 0.270 0.000 1.052 234 T CA -0.653 61.598 62.100 0.252 0.000 0.996 234 T CB 1.774 70.867 68.868 0.374 0.000 1.070 234 T HN 0.755 nan 8.240 nan 0.000 0.465 235 N N 1.230 119.904 118.700 -0.045 0.000 3.185 235 N HA 0.735 5.475 4.740 0.001 0.000 0.238 235 N C -2.055 172.873 175.510 -0.969 0.000 1.451 235 N CA -0.074 52.617 53.050 -0.598 0.000 0.888 235 N CB 1.846 40.170 38.487 -0.272 0.000 1.413 235 N HN 1.008 nan 8.380 nan 0.000 0.511 236 A N 0.074 122.198 122.820 -1.159 0.000 2.549 236 A HA 0.702 5.023 4.320 0.001 0.000 0.297 236 A C -0.654 176.721 177.584 -0.347 0.000 1.061 236 A CA -0.503 51.060 52.037 -0.789 0.000 0.690 236 A CB 0.064 18.365 19.000 -1.166 0.000 1.287 236 A HN 1.165 nan 8.150 nan 0.000 0.402 237 C N 0.038 119.249 119.300 -0.148 0.000 2.667 237 C HA 1.063 5.524 4.460 0.001 0.000 0.323 237 C C -0.726 174.329 174.990 0.108 0.000 1.214 237 C CA -0.971 58.033 59.018 -0.024 0.000 1.721 237 C CB 0.404 28.093 27.740 -0.085 0.000 2.275 237 C HN 1.633 nan 8.230 nan 0.000 0.491 238 Y N -0.487 119.783 120.300 -0.050 0.000 2.656 238 Y HA 0.732 5.282 4.550 0.001 0.000 0.334 238 Y C -0.943 174.944 175.900 -0.021 0.000 1.179 238 Y CA -1.568 56.519 58.100 -0.022 0.000 1.050 238 Y CB 0.989 39.453 38.460 0.007 0.000 1.308 238 Y HN 0.575 nan 8.280 nan 0.000 0.456 239 M N 3.141 122.638 119.600 -0.172 0.000 2.156 239 M HA 0.285 4.765 4.480 0.001 0.000 0.345 239 M C -0.518 175.669 176.300 -0.188 0.000 1.398 239 M CA 0.008 55.186 55.300 -0.202 0.000 1.148 239 M CB 0.266 32.836 32.600 -0.049 0.000 1.663 239 M HN 0.822 nan 8.290 nan 0.000 0.464 240 E N 2.600 122.609 120.200 -0.319 0.000 2.222 240 E HA 0.363 4.714 4.350 0.001 0.000 0.267 240 E C -0.734 175.835 176.600 -0.051 0.000 0.963 240 E CA -0.417 55.922 56.400 -0.102 0.000 0.837 240 E CB 1.110 30.700 29.700 -0.183 0.000 1.183 240 E HN 0.356 nan 8.360 nan 0.000 0.403 241 E N 3.248 123.460 120.200 0.020 0.000 2.331 241 E HA 0.041 4.391 4.350 0.001 0.000 0.272 241 E C 0.858 177.385 176.600 -0.122 0.000 1.036 241 E CA -0.327 56.022 56.400 -0.086 0.000 0.864 241 E CB 0.778 30.369 29.700 -0.182 0.000 1.035 241 E HN 0.533 nan 8.360 nan 0.000 0.408 242 L N 2.690 123.835 121.223 -0.130 0.000 2.127 242 L HA -0.208 4.133 4.340 0.001 0.000 0.211 242 L C 2.335 179.133 176.870 -0.121 0.000 1.089 242 L CA 1.751 56.519 54.840 -0.121 0.000 0.757 242 L CB -0.620 41.373 42.059 -0.109 0.000 0.899 242 L HN 0.576 nan 8.230 nan 0.000 0.434 243 R N -1.464 118.923 120.500 -0.189 0.000 2.237 243 R HA -0.152 4.188 4.340 0.001 0.000 0.219 243 R C 1.324 177.543 176.300 -0.135 0.000 1.080 243 R CA 1.037 57.024 56.100 -0.189 0.000 0.995 243 R CB -0.448 29.699 30.300 -0.254 0.000 0.875 243 R HN 0.422 nan 8.270 nan 0.000 0.462 244 H N 0.526 119.583 119.070 -0.020 0.000 2.575 244 H HA 0.308 4.865 4.556 0.001 0.000 0.267 244 H C 0.281 175.596 175.328 -0.021 0.000 0.966 244 H CA -0.139 55.902 56.048 -0.012 0.000 1.165 244 H CB 0.414 30.180 29.762 0.007 0.000 1.433 244 H HN 0.120 nan 8.280 nan 0.000 0.544 245 I N 2.046 122.650 120.570 0.057 0.000 2.316 245 I HA 0.021 4.191 4.170 0.001 0.000 0.286 245 I C 0.508 176.619 176.117 -0.010 0.000 1.107 245 I CA -0.250 61.052 61.300 0.003 0.000 1.219 245 I CB 0.953 38.917 38.000 -0.061 0.000 1.455 245 I HN -0.159 nan 8.210 nan 0.000 0.498 246 D N 3.769 124.174 120.400 0.007 0.000 2.182 246 D HA -0.141 4.500 4.640 0.001 0.000 0.201 246 D C 1.849 178.145 176.300 -0.007 0.000 0.986 246 D CA 1.607 55.606 54.000 -0.002 0.000 0.847 246 D CB 0.164 40.961 40.800 -0.005 0.000 0.942 246 D HN 0.491 nan 8.370 nan 0.000 0.467 247 L N 0.069 121.289 121.223 -0.005 0.000 2.612 247 L HA 0.098 4.439 4.340 0.001 0.000 0.230 247 L C -0.074 176.802 176.870 0.010 0.000 1.140 247 L CA -0.052 54.791 54.840 0.005 0.000 0.896 247 L CB 0.450 42.519 42.059 0.016 0.000 1.065 247 L HN -0.218 nan 8.230 nan 0.000 0.447 248 V N -0.348 119.555 119.914 -0.019 0.000 2.444 248 V HA 0.205 4.325 4.120 0.001 0.000 0.294 248 V C -0.023 176.058 176.094 -0.022 0.000 1.022 248 V CA -0.871 61.413 62.300 -0.027 0.000 0.850 248 V CB 1.926 33.660 31.823 -0.148 0.000 0.992 248 V HN 0.034 nan 8.190 nan 0.000 0.426 249 E N 3.362 123.567 120.200 0.008 0.000 2.415 249 E HA 0.506 4.856 4.350 0.001 0.000 0.263 249 E C 0.289 176.881 176.600 -0.013 0.000 0.995 249 E CA 1.434 57.834 56.400 0.001 0.000 0.915 249 E CB 0.683 30.390 29.700 0.013 0.000 0.951 249 E HN 1.154 nan 8.360 nan 0.000 0.449 250 G N 3.643 112.430 108.800 -0.022 0.000 2.465 250 G HA2 -0.032 3.929 3.960 0.001 0.000 0.681 250 G HA3 -0.032 3.929 3.960 0.001 0.000 0.681 250 G C -0.570 174.303 174.900 -0.045 0.000 1.340 250 G CA -0.280 44.803 45.100 -0.029 0.000 0.884 250 G HN 0.509 nan 8.290 nan 0.000 0.650 251 D N -0.042 120.331 120.400 -0.045 0.000 2.500 251 D HA 0.162 4.803 4.640 0.001 0.000 0.217 251 D C 0.533 176.792 176.300 -0.068 0.000 1.159 251 D CA 0.315 54.277 54.000 -0.063 0.000 0.828 251 D CB 0.880 41.649 40.800 -0.053 0.000 1.039 251 D HN 0.631 nan 8.370 nan 0.000 0.512 252 E N 1.227 121.395 120.200 -0.054 0.000 2.104 252 E HA 0.456 4.807 4.350 0.001 0.000 0.278 252 E C 1.143 177.709 176.600 -0.056 0.000 1.127 252 E CA -0.484 55.888 56.400 -0.046 0.000 0.897 252 E CB 0.207 29.889 29.700 -0.029 0.000 1.043 252 E HN 0.129 nan 8.360 nan 0.000 0.410 253 G N 3.053 111.820 108.800 -0.056 0.000 2.562 253 G HA2 -0.280 3.680 3.960 0.001 0.000 0.250 253 G HA3 -0.280 3.680 3.960 0.001 0.000 0.250 253 G C -0.456 174.400 174.900 -0.074 0.000 1.269 253 G CA -0.145 44.921 45.100 -0.057 0.000 0.919 253 G HN 0.651 nan 8.290 nan 0.000 0.574 254 R N -1.131 119.324 120.500 -0.075 0.000 2.912 254 R HA 0.829 5.169 4.340 0.001 0.000 0.262 254 R C -0.049 176.178 176.300 -0.122 0.000 1.057 254 R CA -0.731 55.314 56.100 -0.092 0.000 0.981 254 R CB 1.986 32.244 30.300 -0.071 0.000 1.201 254 R HN 0.811 nan 8.270 nan 0.000 0.484 255 M N 0.802 120.306 119.600 -0.160 0.000 2.365 255 M HA 0.264 4.745 4.480 0.001 0.000 0.287 255 M C -1.451 174.704 176.300 -0.241 0.000 1.154 255 M CA -0.621 54.557 55.300 -0.204 0.000 0.941 255 M CB 1.906 34.340 32.600 -0.277 0.000 1.704 255 M HN 0.803 nan 8.290 nan 0.000 0.479 256 C N 5.631 124.801 119.300 -0.217 0.000 2.653 256 C HA 0.471 4.932 4.460 0.001 0.000 0.421 256 C C -0.219 174.602 174.990 -0.281 0.000 1.334 256 C CA -0.275 58.592 59.018 -0.251 0.000 1.885 256 C CB -0.575 27.071 27.740 -0.157 0.000 2.645 256 C HN 0.676 nan 8.230 nan 0.000 0.601 257 I N 6.204 126.536 120.570 -0.396 0.000 2.378 257 I HA 0.272 4.443 4.170 0.001 0.000 0.291 257 I C -0.001 176.017 176.117 -0.166 0.000 0.992 257 I CA -0.076 61.049 61.300 -0.292 0.000 1.154 257 I CB 1.392 39.163 38.000 -0.381 0.000 1.315 257 I HN 0.723 nan 8.210 nan 0.000 0.448 258 N N 4.007 122.659 118.700 -0.079 0.000 2.420 258 N HA 0.085 4.826 4.740 0.001 0.000 0.249 258 N C 1.112 176.629 175.510 0.013 0.000 1.033 258 N CA -0.088 52.934 53.050 -0.046 0.000 0.944 258 N CB 1.023 39.483 38.487 -0.044 0.000 1.113 258 N HN 0.706 nan 8.380 nan 0.000 0.502 259 T N 0.216 114.801 114.554 0.051 0.000 2.821 259 T HA -0.071 4.279 4.350 0.001 0.000 0.267 259 T C 0.082 174.871 174.700 0.149 0.000 1.046 259 T CA 0.583 62.773 62.100 0.149 0.000 1.139 259 T CB -0.308 68.736 68.868 0.293 0.000 0.871 259 T HN 0.588 nan 8.240 nan 0.000 0.454 260 E N 0.759 121.010 120.200 0.085 0.000 2.271 260 E HA -0.148 4.203 4.350 0.001 0.000 0.223 260 E C 0.122 176.907 176.600 0.308 0.000 1.223 260 E CA 0.745 57.226 56.400 0.134 0.000 0.704 260 E CB -1.779 27.988 29.700 0.112 0.000 1.194 260 E HN 0.972 nan 8.360 nan 0.000 0.375 261 W N -0.697 120.717 121.300 0.190 0.000 2.699 261 W HA 0.233 4.894 4.660 0.001 0.000 0.249 261 W C 1.549 178.230 176.519 0.269 0.000 1.280 261 W CA 0.619 58.087 57.345 0.205 0.000 1.345 261 W CB -1.183 28.260 29.460 -0.029 0.000 1.128 261 W HN 0.150 nan 8.180 nan 0.000 0.642 262 G N 1.274 110.506 108.800 0.720 0.000 2.462 262 G HA2 -0.123 3.837 3.960 0.001 0.000 0.220 262 G HA3 -0.123 3.837 3.960 0.001 0.000 0.220 262 G C 1.657 176.812 174.900 0.425 0.000 1.121 262 G CA 1.463 46.911 45.100 0.580 0.000 0.758 262 G HN 0.468 nan 8.290 nan 0.000 0.559 263 A N -0.171 122.865 122.820 0.361 0.000 2.238 263 A HA 0.420 4.740 4.320 0.001 0.000 0.208 263 A C 0.743 178.518 177.584 0.319 0.000 1.177 263 A CA -0.742 51.461 52.037 0.276 0.000 0.804 263 A CB -0.431 18.699 19.000 0.215 0.000 0.823 263 A HN 0.380 nan 8.150 nan 0.000 0.482 264 F N 0.664 120.721 119.950 0.179 0.000 2.602 264 F HA 0.338 4.865 4.527 0.001 0.000 0.385 264 F C 1.375 177.235 175.800 0.100 0.000 1.063 264 F CA 0.978 59.039 58.000 0.101 0.000 1.233 264 F CB 0.435 39.381 39.000 -0.090 0.000 1.067 264 F HN 0.357 nan 8.300 nan 0.000 0.564 265 G N 4.017 112.824 108.800 0.011 0.000 2.175 265 G HA2 -0.319 3.641 3.960 0.001 0.000 0.244 265 G HA3 -0.319 3.641 3.960 0.001 0.000 0.244 265 G C 0.518 175.410 174.900 -0.013 0.000 0.982 265 G CA 0.271 45.286 45.100 -0.142 0.000 0.641 265 G HN 0.670 nan 8.290 nan 0.000 0.527 266 D N 1.174 121.609 120.400 0.057 0.000 2.312 266 D HA 0.061 4.702 4.640 0.001 0.000 0.211 266 D C 1.990 178.309 176.300 0.031 0.000 0.964 266 D CA 1.332 55.361 54.000 0.049 0.000 0.877 266 D CB -0.129 40.719 40.800 0.080 0.000 0.924 266 D HN 0.647 nan 8.370 nan 0.000 0.515 267 D N -1.185 119.235 120.400 0.032 0.000 2.340 267 D HA 0.112 4.753 4.640 0.001 0.000 0.220 267 D C 1.485 177.785 176.300 -0.001 0.000 1.039 267 D CA 0.654 54.664 54.000 0.017 0.000 0.866 267 D CB -0.076 40.736 40.800 0.020 0.000 0.913 267 D HN 0.175 nan 8.370 nan 0.000 0.523 268 G N 0.333 109.125 108.800 -0.013 0.000 2.163 268 G HA2 -0.306 3.654 3.960 0.001 0.000 0.213 268 G HA3 -0.306 3.654 3.960 0.001 0.000 0.213 268 G C 0.997 175.874 174.900 -0.039 0.000 0.991 268 G CA 0.503 45.586 45.100 -0.028 0.000 0.653 268 G HN 0.579 nan 8.290 nan 0.000 0.518 269 S N -0.596 115.080 115.700 -0.041 0.000 2.607 269 S HA 0.336 4.807 4.470 0.001 0.000 0.224 269 S C 1.541 176.084 174.600 -0.094 0.000 0.969 269 S CA 0.910 59.084 58.200 -0.044 0.000 0.927 269 S CB -0.038 63.165 63.200 0.005 0.000 0.772 269 S HN 0.525 nan 8.310 nan 0.000 0.533 270 L N 0.735 121.872 121.223 -0.143 0.000 3.066 270 L HA 0.383 4.723 4.340 0.001 0.000 0.265 270 L C 1.364 178.173 176.870 -0.102 0.000 1.232 270 L CA -0.126 54.614 54.840 -0.168 0.000 1.031 270 L CB 0.250 42.135 42.059 -0.289 0.000 1.379 270 L HN 0.117 nan 8.230 nan 0.000 0.563 271 E N 1.029 121.185 120.200 -0.073 0.000 2.204 271 E HA -0.183 4.167 4.350 0.001 0.000 0.194 271 E C 1.393 177.965 176.600 -0.047 0.000 0.989 271 E CA 1.127 57.493 56.400 -0.056 0.000 0.824 271 E CB 0.082 29.755 29.700 -0.045 0.000 0.756 271 E HN 0.605 nan 8.360 nan 0.000 0.477 272 D N -0.078 120.296 120.400 -0.042 0.000 2.348 272 D HA -0.122 4.519 4.640 0.001 0.000 0.216 272 D C 1.509 177.790 176.300 -0.032 0.000 0.970 272 D CA 0.364 54.345 54.000 -0.031 0.000 0.889 272 D CB 0.050 40.837 40.800 -0.023 0.000 0.912 272 D HN 0.141 nan 8.370 nan 0.000 0.524 273 I N 0.227 120.771 120.570 -0.044 0.000 3.081 273 I HA 0.094 4.264 4.170 0.001 0.000 0.274 273 I C 1.049 177.143 176.117 -0.039 0.000 1.178 273 I CA -0.051 61.223 61.300 -0.042 0.000 1.460 273 I CB -0.530 37.439 38.000 -0.053 0.000 1.137 273 I HN -0.130 nan 8.210 nan 0.000 0.443 274 R N 1.484 121.956 120.500 -0.047 0.000 2.543 274 R HA 0.244 4.584 4.340 0.001 0.000 0.277 274 R C 0.613 176.893 176.300 -0.033 0.000 1.074 274 R CA 0.143 56.219 56.100 -0.040 0.000 1.076 274 R CB 0.488 30.758 30.300 -0.051 0.000 0.993 274 R HN 0.267 nan 8.270 nan 0.000 0.459 275 T N -2.630 111.915 114.554 -0.016 0.000 2.919 275 T HA 0.111 4.461 4.350 0.001 0.000 0.282 275 T C 1.259 175.883 174.700 -0.127 0.000 1.020 275 T CA -0.866 61.209 62.100 -0.042 0.000 0.994 275 T CB 1.355 70.268 68.868 0.075 0.000 1.180 275 T HN 0.724 nan 8.240 nan 0.000 0.566 276 E N 0.206 120.214 120.200 -0.319 0.000 2.118 276 E HA -0.171 4.180 4.350 0.001 0.000 0.195 276 E C 1.452 177.829 176.600 -0.372 0.000 0.992 276 E CA 1.308 57.466 56.400 -0.403 0.000 0.804 276 E CB -0.737 28.615 29.700 -0.580 0.000 0.741 276 E HN 0.657 nan 8.360 nan 0.000 0.458 277 F N 2.491 122.439 119.950 -0.003 0.000 2.171 277 F HA -0.114 4.414 4.527 0.001 0.000 0.300 277 F C 2.093 177.901 175.800 0.012 0.000 1.090 277 F CA 1.295 59.303 58.000 0.012 0.000 1.293 277 F CB -0.491 38.516 39.000 0.013 0.000 1.013 277 F HN -0.057 nan 8.300 nan 0.000 0.486 278 D N 0.284 120.765 120.400 0.136 0.000 2.117 278 D HA -0.125 4.516 4.640 0.001 0.000 0.197 278 D C 2.336 178.648 176.300 0.019 0.000 0.987 278 D CA 1.033 55.064 54.000 0.053 0.000 0.829 278 D CB -0.398 40.409 40.800 0.012 0.000 0.961 278 D HN 0.291 nan 8.370 nan 0.000 0.460 279 R N 0.707 121.204 120.500 -0.006 0.000 2.096 279 R HA -0.052 4.289 4.340 0.001 0.000 0.235 279 R C 2.310 178.630 176.300 0.033 0.000 1.127 279 R CA 1.159 57.252 56.100 -0.011 0.000 0.968 279 R CB -0.193 30.083 30.300 -0.039 0.000 0.861 279 R HN 0.093 nan 8.270 nan 0.000 0.440 280 A N 1.165 124.026 122.820 0.067 0.000 1.873 280 A HA -0.132 4.189 4.320 0.001 0.000 0.215 280 A C 2.119 179.831 177.584 0.214 0.000 1.186 280 A CA 0.987 53.118 52.037 0.156 0.000 0.616 280 A CB -0.415 18.666 19.000 0.136 0.000 0.823 280 A HN 0.322 nan 8.150 nan 0.000 0.442 281 I N -0.337 120.330 120.570 0.162 0.000 2.315 281 I HA -0.228 3.942 4.170 0.001 0.000 0.248 281 I C 2.087 178.282 176.117 0.130 0.000 1.117 281 I CA 2.222 63.625 61.300 0.171 0.000 1.404 281 I CB -0.117 37.979 38.000 0.160 0.000 1.071 281 I HN 0.430 nan 8.210 nan 0.000 0.419 282 D N 0.768 121.199 120.400 0.051 0.000 2.097 282 D HA -0.191 4.450 4.640 0.001 0.000 0.195 282 D C 2.162 178.465 176.300 0.006 0.000 0.989 282 D CA 1.647 55.650 54.000 0.004 0.000 0.827 282 D CB -0.045 40.735 40.800 -0.032 0.000 0.966 282 D HN 0.414 nan 8.370 nan 0.000 0.456 283 A N -0.741 122.075 122.820 -0.008 0.000 1.908 283 A HA -0.171 4.149 4.320 0.001 0.000 0.218 283 A C 1.707 179.111 177.584 -0.299 0.000 1.181 283 A CA 1.273 53.214 52.037 -0.160 0.000 0.627 283 A CB -1.061 17.828 19.000 -0.186 0.000 0.818 283 A HN 0.474 nan 8.150 nan 0.000 0.445 284 Y N 0.974 121.298 120.300 0.040 0.000 2.470 284 Y HA 0.149 4.699 4.550 0.001 0.000 0.284 284 Y C 1.541 177.480 175.900 0.064 0.000 1.188 284 Y CA 0.060 58.189 58.100 0.047 0.000 1.269 284 Y CB -0.113 38.377 38.460 0.050 0.000 1.094 284 Y HN 0.382 nan 8.280 nan 0.000 0.518 285 S N -1.048 114.736 115.700 0.141 0.000 2.652 285 S HA 0.167 4.638 4.470 0.001 0.000 0.267 285 S C 1.207 175.872 174.600 0.109 0.000 1.201 285 S CA -0.640 57.660 58.200 0.166 0.000 0.996 285 S CB 0.566 63.879 63.200 0.189 0.000 1.054 285 S HN 0.319 nan 8.310 nan 0.000 0.561 286 L N 0.723 122.017 121.223 0.118 0.000 2.141 286 L HA -0.044 4.297 4.340 0.001 0.000 0.209 286 L C 0.659 177.571 176.870 0.070 0.000 1.094 286 L CA 1.039 55.917 54.840 0.062 0.000 0.763 286 L CB -0.677 41.424 42.059 0.070 0.000 0.908 286 L HN 0.787 nan 8.230 nan 0.000 0.437 287 N N -1.338 117.423 118.700 0.101 0.000 2.757 287 N HA 0.233 4.973 4.740 0.001 0.000 0.296 287 N C -2.835 172.710 175.510 0.058 0.000 1.874 287 N CA -1.998 51.108 53.050 0.093 0.000 0.885 287 N CB -0.037 38.536 38.487 0.144 0.000 1.242 287 N HN -0.095 nan 8.380 nan 0.000 0.488 288 P HA 0.149 nan 4.420 nan 0.000 0.262 288 P C 1.163 178.463 177.300 0.001 0.000 1.182 288 P CA 1.065 64.162 63.100 -0.005 0.000 0.761 288 P CB 0.433 32.106 31.700 -0.044 0.000 0.795 289 G N 1.183 109.979 108.800 -0.006 0.000 2.199 289 G HA2 -0.200 3.760 3.960 0.001 0.000 0.254 289 G HA3 -0.200 3.760 3.960 0.001 0.000 0.254 289 G C -0.007 174.904 174.900 0.018 0.000 0.982 289 G CA 0.001 45.101 45.100 -0.000 0.000 0.632 289 G HN 0.552 nan 8.290 nan 0.000 0.529 290 K N 0.251 120.670 120.400 0.032 0.000 2.259 290 K HA 0.643 4.964 4.320 0.001 0.000 0.249 290 K C 0.546 177.182 176.600 0.061 0.000 0.942 290 K CA -0.802 55.522 56.287 0.061 0.000 0.816 290 K CB 1.262 33.815 32.500 0.088 0.000 1.155 290 K HN 0.234 nan 8.250 nan 0.000 0.428 291 Q N 1.470 121.328 119.800 0.096 0.000 2.463 291 Q HA -0.191 4.150 4.340 0.001 0.000 0.299 291 Q C 0.712 176.737 176.000 0.040 0.000 1.353 291 Q CA 0.358 56.230 55.803 0.114 0.000 0.828 291 Q CB -2.120 26.696 28.738 0.131 0.000 1.157 291 Q HN 0.666 nan 8.270 nan 0.000 0.436 292 L N -1.580 119.668 121.223 0.042 0.000 2.109 292 L HA -0.108 4.232 4.340 0.001 0.000 0.207 292 L C 2.062 178.925 176.870 -0.013 0.000 1.086 292 L CA 1.377 56.204 54.840 -0.022 0.000 0.760 292 L CB -0.424 41.622 42.059 -0.022 0.000 0.910 292 L HN 0.308 nan 8.230 nan 0.000 0.437 293 F N 1.502 121.404 119.950 -0.081 0.000 2.102 293 F HA -0.254 4.274 4.527 0.001 0.000 0.298 293 F C 2.597 178.364 175.800 -0.055 0.000 1.105 293 F CA 2.003 59.942 58.000 -0.101 0.000 1.239 293 F CB -0.222 38.751 39.000 -0.045 0.000 0.991 293 F HN 0.134 nan 8.300 nan 0.000 0.474 294 E N 0.476 120.703 120.200 0.045 0.000 2.097 294 E HA -0.294 4.056 4.350 0.001 0.000 0.196 294 E C 1.988 178.506 176.600 -0.138 0.000 1.000 294 E CA 1.807 58.211 56.400 0.007 0.000 0.804 294 E CB -0.277 29.541 29.700 0.197 0.000 0.740 294 E HN 0.448 nan 8.360 nan 0.000 0.454 295 K N -0.465 119.738 120.400 -0.327 0.000 2.442 295 K HA -0.025 4.295 4.320 0.001 0.000 0.198 295 K C 1.695 178.135 176.600 -0.266 0.000 1.042 295 K CA 0.976 56.895 56.287 -0.612 0.000 0.958 295 K CB 0.049 32.147 32.500 -0.670 0.000 0.766 295 K HN 0.314 nan 8.250 nan 0.000 0.474 296 M N -0.419 119.032 119.600 -0.249 0.000 2.428 296 M HA 0.002 4.483 4.480 0.001 0.000 0.239 296 M C 1.037 177.219 176.300 -0.196 0.000 1.121 296 M CA 0.423 55.604 55.300 -0.198 0.000 1.019 296 M CB 0.881 33.332 32.600 -0.247 0.000 1.485 296 M HN -0.078 nan 8.290 nan 0.000 0.484 297 V N -1.890 117.898 119.914 -0.211 0.000 3.137 297 V HA 0.081 4.201 4.120 0.001 0.000 0.236 297 V C 1.039 177.122 176.094 -0.018 0.000 1.260 297 V CA 0.477 62.681 62.300 -0.160 0.000 1.244 297 V CB 0.791 32.404 31.823 -0.351 0.000 1.016 297 V HN 0.416 nan 8.190 nan 0.000 0.477 298 S N 0.625 116.369 115.700 0.073 0.000 2.669 298 S HA 0.446 4.917 4.470 0.001 0.000 0.270 298 S C 1.419 176.051 174.600 0.054 0.000 1.225 298 S CA 0.283 58.530 58.200 0.079 0.000 0.991 298 S CB 1.284 64.569 63.200 0.141 0.000 0.987 298 S HN 0.389 nan 8.310 nan 0.000 0.552 299 G N 0.423 109.201 108.800 -0.037 0.000 2.432 299 G HA2 -0.210 3.751 3.960 0.001 0.000 0.219 299 G HA3 -0.210 3.751 3.960 0.001 0.000 0.219 299 G C 1.271 176.105 174.900 -0.109 0.000 1.135 299 G CA 0.936 45.993 45.100 -0.072 0.000 0.767 299 G HN 0.769 nan 8.290 nan 0.000 0.550 300 M N -0.747 118.721 119.600 -0.219 0.000 2.202 300 M HA -0.050 4.430 4.480 0.001 0.000 0.262 300 M C 1.878 177.874 176.300 -0.506 0.000 1.063 300 M CA 1.512 56.535 55.300 -0.462 0.000 1.097 300 M CB -0.007 32.108 32.600 -0.808 0.000 1.382 300 M HN 0.413 nan 8.290 nan 0.000 0.413 301 Y N -1.318 119.003 120.300 0.035 0.000 2.498 301 Y HA 0.175 4.725 4.550 0.001 0.000 0.259 301 Y C 1.776 177.703 175.900 0.045 0.000 1.086 301 Y CA -0.135 57.991 58.100 0.044 0.000 1.287 301 Y CB -0.023 38.456 38.460 0.033 0.000 1.146 301 Y HN 0.080 nan 8.280 nan 0.000 0.523 302 L N -0.401 120.911 121.223 0.149 0.000 2.056 302 L HA -0.104 4.236 4.340 0.001 0.000 0.207 302 L C 2.565 179.524 176.870 0.148 0.000 1.078 302 L CA 1.510 56.425 54.840 0.124 0.000 0.749 302 L CB -0.949 41.161 42.059 0.086 0.000 0.901 302 L HN 0.370 nan 8.230 nan 0.000 0.433 303 G N -0.149 108.745 108.800 0.158 0.000 2.422 303 G HA2 -0.305 3.656 3.960 0.001 0.000 0.218 303 G HA3 -0.305 3.656 3.960 0.001 0.000 0.218 303 G C 1.472 176.535 174.900 0.272 0.000 1.146 303 G CA 0.830 46.101 45.100 0.285 0.000 0.769 303 G HN 0.341 nan 8.290 nan 0.000 0.547 304 E N 0.361 120.671 120.200 0.184 0.000 2.150 304 E HA 0.010 4.360 4.350 0.001 0.000 0.193 304 E C 2.423 179.094 176.600 0.118 0.000 0.985 304 E CA 0.508 56.999 56.400 0.152 0.000 0.814 304 E CB -0.375 29.418 29.700 0.155 0.000 0.752 304 E HN 0.442 nan 8.360 nan 0.000 0.466 305 L N -0.555 120.737 121.223 0.116 0.000 2.017 305 L HA -0.161 4.180 4.340 0.001 0.000 0.208 305 L C 2.385 179.227 176.870 -0.047 0.000 1.073 305 L CA 1.008 55.888 54.840 0.067 0.000 0.745 305 L CB -0.479 41.620 42.059 0.066 0.000 0.894 305 L HN 0.106 nan 8.230 nan 0.000 0.432 306 V N -0.127 119.762 119.914 -0.043 0.000 2.233 306 V HA -0.353 3.768 4.120 0.001 0.000 0.247 306 V C 2.672 178.601 176.094 -0.276 0.000 1.050 306 V CA 2.101 64.301 62.300 -0.166 0.000 1.010 306 V CB -0.694 31.078 31.823 -0.086 0.000 0.637 306 V HN 0.467 nan 8.190 nan 0.000 0.444 307 R N -0.288 120.068 120.500 -0.241 0.000 2.096 307 R HA -0.204 4.136 4.340 0.001 0.000 0.240 307 R C 2.315 178.555 176.300 -0.099 0.000 1.139 307 R CA 1.992 57.963 56.100 -0.215 0.000 0.952 307 R CB -0.424 29.854 30.300 -0.037 0.000 0.854 307 R HN 0.477 nan 8.270 nan 0.000 0.436 308 L N 0.338 121.548 121.223 -0.021 0.000 2.042 308 L HA -0.224 4.116 4.340 0.001 0.000 0.210 308 L C 2.461 179.352 176.870 0.035 0.000 1.076 308 L CA 1.361 56.242 54.840 0.069 0.000 0.749 308 L CB -0.361 41.813 42.059 0.191 0.000 0.893 308 L HN 0.281 nan 8.230 nan 0.000 0.432 309 I N -0.564 119.871 120.570 -0.225 0.000 2.252 309 I HA -0.278 3.892 4.170 0.001 0.000 0.245 309 I C 2.353 178.367 176.117 -0.171 0.000 1.102 309 I CA 1.126 62.170 61.300 -0.427 0.000 1.385 309 I CB -0.200 37.409 38.000 -0.651 0.000 1.064 309 I HN 0.209 nan 8.210 nan 0.000 0.414 310 L N -0.213 120.900 121.223 -0.182 0.000 2.046 310 L HA -0.175 4.166 4.340 0.001 0.000 0.208 310 L C 2.646 179.483 176.870 -0.056 0.000 1.077 310 L CA 0.976 55.726 54.840 -0.150 0.000 0.747 310 L CB -0.830 41.150 42.059 -0.132 0.000 0.896 310 L HN 0.091 nan 8.230 nan 0.000 0.432 311 V N 0.445 120.360 119.914 0.002 0.000 2.255 311 V HA -0.349 3.771 4.120 0.001 0.000 0.247 311 V C 2.650 178.782 176.094 0.063 0.000 1.051 311 V CA 2.224 64.553 62.300 0.049 0.000 1.018 311 V CB -0.598 31.257 31.823 0.052 0.000 0.641 311 V HN 0.455 nan 8.190 nan 0.000 0.445 312 K N -0.595 119.878 120.400 0.122 0.000 2.032 312 K HA -0.211 4.110 4.320 0.001 0.000 0.209 312 K C 2.247 178.919 176.600 0.120 0.000 1.048 312 K CA 1.962 58.356 56.287 0.178 0.000 0.927 312 K CB -0.225 32.495 32.500 0.366 0.000 0.712 312 K HN 0.353 nan 8.250 nan 0.000 0.441 313 M N 0.093 119.711 119.600 0.030 0.000 2.108 313 M HA -0.186 4.294 4.480 0.001 0.000 0.261 313 M C 2.320 178.516 176.300 -0.174 0.000 1.066 313 M CA 1.730 56.933 55.300 -0.162 0.000 1.107 313 M CB -0.291 32.105 32.600 -0.340 0.000 1.356 313 M HN 0.346 nan 8.290 nan 0.000 0.406 314 A N 0.439 123.163 122.820 -0.160 0.000 1.877 314 A HA -0.199 4.122 4.320 0.001 0.000 0.216 314 A C 2.065 179.632 177.584 -0.028 0.000 1.186 314 A CA 1.843 53.809 52.037 -0.118 0.000 0.620 314 A CB -0.595 18.424 19.000 0.032 0.000 0.822 314 A HN 0.425 nan 8.150 nan 0.000 0.443 315 K N -0.191 120.214 120.400 0.010 0.000 2.152 315 K HA -0.153 4.167 4.320 0.001 0.000 0.206 315 K C 1.380 177.992 176.600 0.019 0.000 1.048 315 K CA 1.578 57.881 56.287 0.027 0.000 0.933 315 K CB -0.136 32.391 32.500 0.044 0.000 0.721 315 K HN 0.637 nan 8.250 nan 0.000 0.447 316 E N -0.511 119.697 120.200 0.013 0.000 2.476 316 E HA 0.040 4.390 4.350 0.001 0.000 0.191 316 E C 0.666 177.251 176.600 -0.025 0.000 1.064 316 E CA 0.259 56.667 56.400 0.014 0.000 0.866 316 E CB 0.466 30.198 29.700 0.054 0.000 0.952 316 E HN 0.452 nan 8.360 nan 0.000 0.492 317 G N 1.598 110.370 108.800 -0.046 0.000 2.153 317 G HA2 -0.307 3.653 3.960 0.001 0.000 0.252 317 G HA3 -0.307 3.653 3.960 0.001 0.000 0.252 317 G C 0.793 175.630 174.900 -0.106 0.000 0.994 317 G CA 0.330 45.395 45.100 -0.058 0.000 0.698 317 G HN 0.330 nan 8.290 nan 0.000 0.521 318 L N -1.230 119.894 121.223 -0.166 0.000 2.509 318 L HA 0.422 4.763 4.340 0.001 0.000 0.222 318 L C 1.223 177.912 176.870 -0.301 0.000 1.123 318 L CA 0.556 55.263 54.840 -0.223 0.000 0.856 318 L CB 0.017 41.894 42.059 -0.303 0.000 0.985 318 L HN 0.244 nan 8.230 nan 0.000 0.456 319 L N -1.635 119.349 121.223 -0.399 0.000 2.393 319 L HA 0.355 4.696 4.340 0.001 0.000 0.260 319 L C -0.263 176.282 176.870 -0.541 0.000 1.002 319 L CA -0.941 53.481 54.840 -0.695 0.000 0.818 319 L CB 2.083 43.315 42.059 -1.377 0.000 1.369 319 L HN -0.036 nan 8.230 nan 0.000 0.412 320 F N -0.261 119.666 119.950 -0.039 0.000 3.100 320 F HA -0.283 4.245 4.527 0.001 0.000 0.284 320 F C 0.891 176.678 175.800 -0.023 0.000 0.875 320 F CA 0.657 58.640 58.000 -0.028 0.000 1.039 320 F CB -1.792 37.191 39.000 -0.027 0.000 1.111 320 F HN 0.724 nan 8.300 nan 0.000 0.575 321 E N -1.055 119.183 120.200 0.062 0.000 2.403 321 E HA -0.234 4.116 4.350 0.001 0.000 0.241 321 E C 1.397 178.020 176.600 0.039 0.000 1.201 321 E CA 0.800 57.220 56.400 0.033 0.000 0.721 321 E CB -1.534 28.190 29.700 0.041 0.000 1.245 321 E HN 1.145 nan 8.360 nan 0.000 0.392 322 G N -0.023 108.795 108.800 0.031 0.000 2.184 322 G HA2 -0.412 3.549 3.960 0.001 0.000 0.264 322 G HA3 -0.412 3.549 3.960 0.001 0.000 0.264 322 G C 0.288 175.242 174.900 0.090 0.000 0.975 322 G CA 0.428 45.552 45.100 0.041 0.000 0.642 322 G HN 0.322 nan 8.290 nan 0.000 0.536 323 R N -0.209 120.378 120.500 0.146 0.000 2.489 323 R HA 0.524 4.864 4.340 0.001 0.000 0.287 323 R C 0.147 176.545 176.300 0.162 0.000 1.053 323 R CA 0.409 56.586 56.100 0.129 0.000 1.036 323 R CB 0.340 30.705 30.300 0.108 0.000 0.966 323 R HN 0.355 nan 8.270 nan 0.000 0.432 324 I N 2.377 122.999 120.570 0.087 0.000 2.500 324 I HA 0.160 4.331 4.170 0.001 0.000 0.286 324 I C 0.155 176.288 176.117 0.026 0.000 1.063 324 I CA -0.551 60.795 61.300 0.077 0.000 1.062 324 I CB 2.201 40.244 38.000 0.072 0.000 1.223 324 I HN 0.662 nan 8.210 nan 0.000 0.435 325 T N 2.606 117.162 114.554 0.002 0.000 2.944 325 T HA 0.473 4.824 4.350 0.001 0.000 0.284 325 T C -1.963 172.734 174.700 -0.005 0.000 1.010 325 T CA -1.959 60.133 62.100 -0.014 0.000 1.025 325 T CB 1.877 70.720 68.868 -0.042 0.000 1.079 325 T HN 0.274 nan 8.240 nan 0.000 0.516 326 P HA 0.002 nan 4.420 nan 0.000 0.219 326 P C 0.953 178.251 177.300 -0.004 0.000 1.150 326 P CA 0.957 64.054 63.100 -0.005 0.000 0.814 326 P CB 0.179 31.875 31.700 -0.006 0.000 0.787 327 E N 0.043 120.238 120.200 -0.009 0.000 2.051 327 E HA -0.146 4.204 4.350 0.001 0.000 0.192 327 E C 2.017 178.621 176.600 0.006 0.000 0.991 327 E CA 0.730 57.127 56.400 -0.005 0.000 0.799 327 E CB -1.216 28.476 29.700 -0.014 0.000 0.748 327 E HN 0.079 nan 8.360 nan 0.000 0.449 328 L N 0.509 121.730 121.223 -0.002 0.000 2.043 328 L HA -0.153 4.187 4.340 0.001 0.000 0.212 328 L C 1.748 178.631 176.870 0.022 0.000 1.075 328 L CA 1.657 56.505 54.840 0.013 0.000 0.752 328 L CB -0.204 41.864 42.059 0.015 0.000 0.891 328 L HN 0.165 nan 8.230 nan 0.000 0.432 329 L N -0.966 120.265 121.223 0.013 0.000 2.552 329 L HA -0.008 4.333 4.340 0.001 0.000 0.227 329 L C 0.365 177.234 176.870 -0.002 0.000 1.146 329 L CA -0.007 54.836 54.840 0.005 0.000 0.858 329 L CB -0.914 41.144 42.059 -0.002 0.000 0.969 329 L HN 0.154 nan 8.230 nan 0.000 0.451 330 T N 1.407 115.966 114.554 0.008 0.000 2.727 330 T HA 0.116 4.467 4.350 0.001 0.000 0.295 330 T C 0.501 175.214 174.700 0.021 0.000 0.915 330 T CA -0.332 61.773 62.100 0.009 0.000 1.066 330 T CB 0.584 69.459 68.868 0.012 0.000 0.891 330 T HN 0.178 nan 8.240 nan 0.000 0.516 331 R N 2.458 122.964 120.500 0.010 0.000 2.537 331 R HA 0.233 4.573 4.340 0.001 0.000 0.281 331 R C 1.433 177.761 176.300 0.047 0.000 0.988 331 R CA 1.531 57.647 56.100 0.027 0.000 1.077 331 R CB -0.376 29.931 30.300 0.011 0.000 0.932 331 R HN 0.963 nan 8.270 nan 0.000 0.409 332 G N 3.506 112.347 108.800 0.068 0.000 2.179 332 G HA2 -0.333 3.627 3.960 0.001 0.000 0.260 332 G HA3 -0.333 3.627 3.960 0.001 0.000 0.260 332 G C 0.766 175.704 174.900 0.062 0.000 0.977 332 G CA 0.533 45.670 45.100 0.062 0.000 0.641 332 G HN 0.630 nan 8.290 nan 0.000 0.533 333 K N -0.273 120.174 120.400 0.079 0.000 2.365 333 K HA 0.285 4.605 4.320 0.001 0.000 0.199 333 K C 0.342 177.020 176.600 0.130 0.000 1.045 333 K CA 0.330 56.665 56.287 0.079 0.000 0.962 333 K CB -0.163 32.382 32.500 0.074 0.000 0.759 333 K HN 0.393 nan 8.250 nan 0.000 0.469 334 F N 1.982 121.931 119.950 -0.002 0.000 2.434 334 F HA 0.306 4.834 4.527 0.001 0.000 0.355 334 F C -0.275 175.525 175.800 -0.000 0.000 1.115 334 F CA -1.081 56.919 58.000 -0.001 0.000 1.010 334 F CB 0.602 39.607 39.000 0.009 0.000 1.234 334 F HN 0.098 nan 8.300 nan 0.000 0.439 335 N N 2.230 120.830 118.700 -0.167 0.000 2.491 335 N HA 0.241 4.982 4.740 0.001 0.000 0.279 335 N C 0.216 175.656 175.510 -0.117 0.000 1.236 335 N CA -0.676 52.322 53.050 -0.086 0.000 0.982 335 N CB 1.287 39.725 38.487 -0.082 0.000 1.194 335 N HN 0.374 nan 8.380 nan 0.000 0.582 336 T N -0.070 114.457 114.554 -0.044 0.000 2.915 336 T HA -0.073 4.277 4.350 0.001 0.000 0.269 336 T C 1.813 176.480 174.700 -0.055 0.000 1.071 336 T CA 0.904 62.995 62.100 -0.015 0.000 1.132 336 T CB -0.313 68.550 68.868 -0.009 0.000 0.878 336 T HN 0.491 nan 8.240 nan 0.000 0.479 337 S N 1.528 117.169 115.700 -0.099 0.000 2.382 337 S HA -0.133 4.338 4.470 0.001 0.000 0.228 337 S C 1.789 176.285 174.600 -0.172 0.000 1.027 337 S CA 1.004 59.136 58.200 -0.114 0.000 0.991 337 S CB -0.332 62.802 63.200 -0.110 0.000 0.823 337 S HN 0.508 nan 8.310 nan 0.000 0.469 338 D N 1.044 121.268 120.400 -0.294 0.000 2.144 338 D HA -0.045 4.596 4.640 0.001 0.000 0.200 338 D C 2.047 178.173 176.300 -0.290 0.000 0.978 338 D CA 0.710 54.444 54.000 -0.445 0.000 0.833 338 D CB -0.433 39.741 40.800 -1.044 0.000 0.961 338 D HN 0.214 nan 8.370 nan 0.000 0.470 339 V N 0.969 120.790 119.914 -0.155 0.000 2.343 339 V HA -0.221 3.899 4.120 0.001 0.000 0.247 339 V C 2.536 178.628 176.094 -0.003 0.000 1.051 339 V CA 1.619 63.962 62.300 0.073 0.000 1.036 339 V CB -0.533 31.402 31.823 0.186 0.000 0.654 339 V HN 0.136 nan 8.190 nan 0.000 0.451 340 S N 0.222 115.880 115.700 -0.070 0.000 2.359 340 S HA -0.199 4.272 4.470 0.001 0.000 0.224 340 S C 2.222 176.679 174.600 -0.240 0.000 1.035 340 S CA 1.525 59.562 58.200 -0.271 0.000 1.018 340 S CB -0.534 62.565 63.200 -0.168 0.000 0.876 340 S HN 0.661 nan 8.310 nan 0.000 0.448 341 A N 1.298 124.028 122.820 -0.151 0.000 1.902 341 A HA -0.017 4.304 4.320 0.001 0.000 0.217 341 A C 2.059 179.596 177.584 -0.079 0.000 1.181 341 A CA 1.168 53.139 52.037 -0.111 0.000 0.623 341 A CB -0.699 18.239 19.000 -0.103 0.000 0.818 341 A HN 0.493 nan 8.150 nan 0.000 0.443 342 I N -0.401 120.133 120.570 -0.059 0.000 2.454 342 I HA -0.206 3.964 4.170 0.001 0.000 0.254 342 I C 1.903 178.018 176.117 -0.003 0.000 1.156 342 I CA 1.246 62.546 61.300 0.001 0.000 1.433 342 I CB -0.260 37.783 38.000 0.072 0.000 1.082 342 I HN 0.406 nan 8.210 nan 0.000 0.432 343 E N 0.783 120.946 120.200 -0.061 0.000 2.489 343 E HA 0.027 4.378 4.350 0.001 0.000 0.193 343 E C 0.164 176.714 176.600 -0.083 0.000 1.057 343 E CA -0.063 56.302 56.400 -0.058 0.000 0.866 343 E CB 0.259 29.909 29.700 -0.083 0.000 0.916 343 E HN 0.369 nan 8.360 nan 0.000 0.500 344 K N 1.778 122.127 120.400 -0.086 0.000 2.436 344 K HA -0.025 4.296 4.320 0.001 0.000 0.275 344 K C 0.923 177.509 176.600 -0.023 0.000 0.999 344 K CA -0.044 56.205 56.287 -0.064 0.000 0.980 344 K CB 0.639 33.108 32.500 -0.052 0.000 0.919 344 K HN 0.093 nan 8.250 nan 0.000 0.484 345 N N 3.019 121.707 118.700 -0.019 0.000 2.018 345 N HA -0.244 4.497 4.740 0.001 0.000 0.196 345 N C 1.423 176.936 175.510 0.004 0.000 1.043 345 N CA 1.929 54.977 53.050 -0.003 0.000 0.856 345 N CB 0.130 38.614 38.487 -0.005 0.000 1.042 345 N HN 0.560 nan 8.380 nan 0.000 0.423 346 K N 0.224 120.623 120.400 -0.002 0.000 2.242 346 K HA 0.000 4.321 4.320 0.001 0.000 0.200 346 K C 1.455 178.061 176.600 0.010 0.000 1.050 346 K CA 0.644 56.931 56.287 0.000 0.000 0.981 346 K CB 0.096 32.589 32.500 -0.011 0.000 0.795 346 K HN 0.242 nan 8.250 nan 0.000 0.477 347 E N -0.311 119.899 120.200 0.017 0.000 2.472 347 E HA 0.026 4.377 4.350 0.001 0.000 0.196 347 E C 1.634 178.291 176.600 0.095 0.000 1.033 347 E CA 0.497 56.931 56.400 0.057 0.000 0.886 347 E CB 0.077 29.805 29.700 0.046 0.000 0.944 347 E HN 0.342 nan 8.360 nan 0.000 0.492 348 G N 2.785 111.615 108.800 0.050 0.000 2.553 348 G HA2 -0.291 3.670 3.960 0.001 0.000 0.218 348 G HA3 -0.291 3.670 3.960 0.001 0.000 0.218 348 G C 1.685 176.620 174.900 0.057 0.000 1.195 348 G CA 1.354 46.478 45.100 0.039 0.000 0.779 348 G HN 0.249 nan 8.290 nan 0.000 0.577 349 L N -0.230 121.035 121.223 0.070 0.000 2.083 349 L HA -0.088 4.253 4.340 0.001 0.000 0.209 349 L C 2.640 179.554 176.870 0.073 0.000 1.083 349 L CA 1.598 56.479 54.840 0.069 0.000 0.752 349 L CB -0.587 41.510 42.059 0.064 0.000 0.899 349 L HN 0.446 nan 8.230 nan 0.000 0.433 350 H N 0.471 119.546 119.070 0.010 0.000 2.321 350 H HA -0.140 4.417 4.556 0.001 0.000 0.300 350 H C 2.130 177.459 175.328 0.002 0.000 1.087 350 H CA 1.964 58.015 56.048 0.004 0.000 1.319 350 H CB 0.044 29.804 29.762 -0.003 0.000 1.379 350 H HN 0.197 nan 8.280 nan 0.000 0.501 351 N N 0.660 119.295 118.700 -0.108 0.000 2.120 351 N HA -0.142 4.598 4.740 0.001 0.000 0.188 351 N C 2.076 177.514 175.510 -0.120 0.000 1.024 351 N CA 1.342 54.300 53.050 -0.152 0.000 0.852 351 N CB -0.751 37.716 38.487 -0.033 0.000 1.003 351 N HN 0.569 nan 8.380 nan 0.000 0.424 352 A N 1.420 124.217 122.820 -0.038 0.000 1.908 352 A HA -0.200 4.120 4.320 0.001 0.000 0.218 352 A C 2.224 179.802 177.584 -0.010 0.000 1.181 352 A CA 1.675 53.725 52.037 0.021 0.000 0.627 352 A CB -0.546 18.492 19.000 0.064 0.000 0.818 352 A HN 0.298 nan 8.150 nan 0.000 0.445 353 K N -0.221 120.143 120.400 -0.059 0.000 2.009 353 K HA -0.213 4.107 4.320 0.001 0.000 0.210 353 K C 2.016 178.551 176.600 -0.110 0.000 1.049 353 K CA 1.839 58.084 56.287 -0.071 0.000 0.929 353 K CB -0.215 32.239 32.500 -0.076 0.000 0.714 353 K HN 0.677 nan 8.250 nan 0.000 0.440 354 E N 0.436 120.518 120.200 -0.197 0.000 2.038 354 E HA -0.220 4.130 4.350 0.001 0.000 0.195 354 E C 2.189 178.724 176.600 -0.108 0.000 1.000 354 E CA 1.569 57.865 56.400 -0.173 0.000 0.803 354 E CB -0.276 29.280 29.700 -0.239 0.000 0.750 354 E HN 0.319 nan 8.360 nan 0.000 0.448 355 I N 1.292 121.804 120.570 -0.097 0.000 2.091 355 I HA -0.327 3.843 4.170 0.001 0.000 0.239 355 I C 2.517 178.626 176.117 -0.013 0.000 1.061 355 I CA 1.335 62.601 61.300 -0.057 0.000 1.317 355 I CB -0.308 37.658 38.000 -0.057 0.000 1.031 355 I HN 0.079 nan 8.210 nan 0.000 0.401 356 L N -0.370 120.855 121.223 0.003 0.000 2.083 356 L HA -0.195 4.145 4.340 0.001 0.000 0.209 356 L C 2.606 179.402 176.870 -0.123 0.000 1.083 356 L CA 1.419 56.231 54.840 -0.046 0.000 0.752 356 L CB -1.011 41.026 42.059 -0.036 0.000 0.899 356 L HN 0.269 nan 8.230 nan 0.000 0.433 357 T N -0.426 114.070 114.554 -0.096 0.000 2.699 357 T HA -0.217 4.133 4.350 0.001 0.000 0.268 357 T C 1.948 176.597 174.700 -0.086 0.000 1.036 357 T CA 1.359 63.402 62.100 -0.095 0.000 1.147 357 T CB -0.222 68.601 68.868 -0.074 0.000 0.862 357 T HN 0.308 nan 8.240 nan 0.000 0.446 358 R N 0.522 120.980 120.500 -0.070 0.000 2.285 358 R HA 0.126 4.467 4.340 0.001 0.000 0.213 358 R C 2.053 178.320 176.300 -0.056 0.000 1.068 358 R CA 0.525 56.591 56.100 -0.057 0.000 1.004 358 R CB -0.349 29.922 30.300 -0.049 0.000 0.873 358 R HN 0.401 nan 8.270 nan 0.000 0.467 359 L N -0.668 120.510 121.223 -0.074 0.000 2.465 359 L HA 0.028 4.369 4.340 0.001 0.000 0.224 359 L C 1.402 178.211 176.870 -0.102 0.000 1.145 359 L CA 0.884 55.678 54.840 -0.077 0.000 0.834 359 L CB -0.055 41.942 42.059 -0.104 0.000 0.944 359 L HN 0.504 nan 8.230 nan 0.000 0.451 360 G N -0.846 107.888 108.800 -0.110 0.000 2.218 360 G HA2 -0.233 3.728 3.960 0.001 0.000 0.216 360 G HA3 -0.233 3.728 3.960 0.001 0.000 0.216 360 G C 0.327 175.147 174.900 -0.134 0.000 0.994 360 G CA 0.060 45.103 45.100 -0.096 0.000 0.637 360 G HN 0.079 nan 8.290 nan 0.000 0.505 361 V N 0.089 119.867 119.914 -0.227 0.000 3.596 361 V HA 0.627 4.748 4.120 0.001 0.000 0.288 361 V C 0.634 176.620 176.094 -0.180 0.000 1.021 361 V CA -0.039 62.094 62.300 -0.278 0.000 1.020 361 V CB 1.242 32.698 31.823 -0.612 0.000 1.243 361 V HN 0.343 nan 8.190 nan 0.000 0.433 362 E N 1.265 121.380 120.200 -0.142 0.000 3.386 362 E HA 0.284 4.635 4.350 0.001 0.000 0.236 362 E C -2.747 173.831 176.600 -0.037 0.000 1.227 362 E CA -1.475 54.884 56.400 -0.069 0.000 0.970 362 E CB 0.849 30.528 29.700 -0.035 0.000 1.343 362 E HN 0.533 nan 8.360 nan 0.000 0.397 363 P HA -0.038 nan 4.420 nan 0.000 0.271 363 P C 0.148 177.488 177.300 0.066 0.000 1.216 363 P CA 0.012 63.143 63.100 0.051 0.000 0.771 363 P CB 1.236 32.955 31.700 0.032 0.000 0.864 364 S N 1.560 117.322 115.700 0.102 0.000 2.661 364 S HA 0.155 4.626 4.470 0.001 0.000 0.265 364 S C 0.904 175.539 174.600 0.058 0.000 1.225 364 S CA -0.295 57.943 58.200 0.063 0.000 0.986 364 S CB 0.378 63.611 63.200 0.055 0.000 1.008 364 S HN 0.338 nan 8.310 nan 0.000 0.565 365 D N 0.503 120.927 120.400 0.040 0.000 2.144 365 D HA -0.047 4.593 4.640 0.001 0.000 0.200 365 D C 1.293 177.613 176.300 0.034 0.000 0.978 365 D CA 1.124 55.146 54.000 0.036 0.000 0.833 365 D CB -0.450 40.367 40.800 0.028 0.000 0.961 365 D HN 0.563 nan 8.370 nan 0.000 0.470 366 D N 0.713 121.128 120.400 0.025 0.000 2.178 366 D HA -0.116 4.525 4.640 0.001 0.000 0.201 366 D C 1.483 177.790 176.300 0.013 0.000 0.980 366 D CA 0.715 54.721 54.000 0.010 0.000 0.842 366 D CB -0.146 40.651 40.800 -0.005 0.000 0.948 366 D HN 0.147 nan 8.370 nan 0.000 0.472 367 D N -0.388 120.037 120.400 0.041 0.000 2.144 367 D HA -0.105 4.535 4.640 0.001 0.000 0.199 367 D C 2.160 178.513 176.300 0.089 0.000 0.984 367 D CA 0.532 54.572 54.000 0.066 0.000 0.834 367 D CB -0.390 40.538 40.800 0.213 0.000 0.955 367 D HN 0.225 nan 8.370 nan 0.000 0.465 368 C N 0.166 119.519 119.300 0.088 0.000 2.429 368 C HA -0.070 4.390 4.460 0.001 0.000 0.277 368 C C 2.937 177.968 174.990 0.068 0.000 1.262 368 C CA 0.161 59.228 59.018 0.082 0.000 1.733 368 C CB -0.788 26.990 27.740 0.063 0.000 2.010 368 C HN 0.168 nan 8.230 nan 0.000 0.483 369 V N 0.763 120.706 119.914 0.047 0.000 2.295 369 V HA -0.198 3.923 4.120 0.001 0.000 0.246 369 V C 2.490 178.612 176.094 0.048 0.000 1.049 369 V CA 2.414 64.739 62.300 0.041 0.000 1.024 369 V CB -0.808 31.024 31.823 0.014 0.000 0.648 369 V HN 0.556 nan 8.190 nan 0.000 0.447 370 S N -0.142 115.569 115.700 0.020 0.000 2.356 370 S HA -0.170 4.300 4.470 0.001 0.000 0.223 370 S C 2.032 176.650 174.600 0.030 0.000 1.032 370 S CA 1.550 59.754 58.200 0.005 0.000 1.005 370 S CB -0.275 62.881 63.200 -0.073 0.000 0.867 370 S HN 0.367 nan 8.310 nan 0.000 0.449 371 V N 2.098 122.028 119.914 0.028 0.000 2.295 371 V HA -0.249 3.871 4.120 0.001 0.000 0.246 371 V C 2.624 178.767 176.094 0.082 0.000 1.049 371 V CA 2.095 64.419 62.300 0.040 0.000 1.024 371 V CB -0.770 31.108 31.823 0.092 0.000 0.648 371 V HN 0.532 nan 8.190 nan 0.000 0.447 372 Q N -0.412 119.452 119.800 0.106 0.000 2.096 372 Q HA -0.321 4.020 4.340 0.001 0.000 0.204 372 Q C 2.256 178.339 176.000 0.139 0.000 0.982 372 Q CA 2.454 58.329 55.803 0.120 0.000 0.850 372 Q CB -0.246 28.557 28.738 0.108 0.000 0.901 372 Q HN 0.806 nan 8.270 nan 0.000 0.422 373 H N -0.610 118.481 119.070 0.035 0.000 2.423 373 H HA -0.050 4.506 4.556 0.001 0.000 0.297 373 H C 1.820 177.165 175.328 0.028 0.000 1.075 373 H CA 1.585 57.653 56.048 0.034 0.000 1.342 373 H CB 0.036 29.808 29.762 0.017 0.000 1.395 373 H HN 0.113 nan 8.280 nan 0.000 0.530 374 V N -0.939 118.974 119.914 -0.001 0.000 2.358 374 V HA -0.303 3.817 4.120 0.001 0.000 0.246 374 V C 2.726 178.789 176.094 -0.052 0.000 1.047 374 V CA 1.630 63.886 62.300 -0.074 0.000 1.035 374 V CB -0.692 31.075 31.823 -0.094 0.000 0.658 374 V HN 0.621 nan 8.190 nan 0.000 0.452 375 C N -0.295 119.018 119.300 0.023 0.000 2.413 375 C HA -0.179 4.281 4.460 0.001 0.000 0.276 375 C C 2.988 178.026 174.990 0.080 0.000 1.236 375 C CA 1.755 60.829 59.018 0.092 0.000 1.735 375 C CB -1.279 26.557 27.740 0.161 0.000 2.031 375 C HN 0.628 nan 8.230 nan 0.000 0.474 376 T N 1.457 116.037 114.554 0.043 0.000 2.635 376 T HA -0.187 4.164 4.350 0.001 0.000 0.267 376 T C 1.608 176.322 174.700 0.023 0.000 1.040 376 T CA 1.815 63.944 62.100 0.047 0.000 1.156 376 T CB -0.359 68.511 68.868 0.005 0.000 0.863 376 T HN 0.487 nan 8.240 nan 0.000 0.430 377 I N 0.609 121.099 120.570 -0.133 0.000 2.286 377 I HA -0.153 4.017 4.170 0.001 0.000 0.248 377 I C 2.461 178.565 176.117 -0.022 0.000 1.115 377 I CA 0.882 62.116 61.300 -0.110 0.000 1.392 377 I CB -0.391 37.494 38.000 -0.191 0.000 1.065 377 I HN 0.109 nan 8.210 nan 0.000 0.418 378 V N 0.656 120.562 119.914 -0.013 0.000 2.307 378 V HA -0.254 3.867 4.120 0.001 0.000 0.245 378 V C 2.637 178.761 176.094 0.050 0.000 1.045 378 V CA 2.237 64.543 62.300 0.010 0.000 1.024 378 V CB -0.694 31.135 31.823 0.009 0.000 0.651 378 V HN 0.602 nan 8.190 nan 0.000 0.449 379 S N -0.759 114.985 115.700 0.073 0.000 2.406 379 S HA -0.162 4.308 4.470 0.001 0.000 0.228 379 S C 2.026 176.647 174.600 0.034 0.000 1.020 379 S CA 1.297 59.537 58.200 0.066 0.000 0.965 379 S CB -0.741 62.465 63.200 0.010 0.000 0.798 379 S HN 0.548 nan 8.310 nan 0.000 0.488 380 F N 2.144 122.032 119.950 -0.104 0.000 2.206 380 F HA 0.124 4.651 4.527 0.001 0.000 0.298 380 F C 2.857 178.570 175.800 -0.146 0.000 1.090 380 F CA 0.765 58.671 58.000 -0.156 0.000 1.323 380 F CB -0.025 38.905 39.000 -0.117 0.000 1.028 380 F HN 0.161 nan 8.300 nan 0.000 0.492 381 R N -0.208 120.361 120.500 0.115 0.000 2.081 381 R HA -0.195 4.145 4.340 0.001 0.000 0.235 381 R C 2.499 178.801 176.300 0.004 0.000 1.131 381 R CA 1.622 57.735 56.100 0.021 0.000 0.960 381 R CB -0.602 29.683 30.300 -0.025 0.000 0.856 381 R HN 0.262 nan 8.270 nan 0.000 0.436 382 S N -0.089 115.618 115.700 0.012 0.000 2.353 382 S HA -0.180 4.290 4.470 0.001 0.000 0.222 382 S C 2.032 176.617 174.600 -0.025 0.000 1.035 382 S CA 1.461 59.667 58.200 0.010 0.000 1.025 382 S CB -0.321 62.970 63.200 0.152 0.000 0.902 382 S HN 0.535 nan 8.310 nan 0.000 0.440 383 A N 1.379 124.062 122.820 -0.230 0.000 1.908 383 A HA -0.148 4.172 4.320 0.001 0.000 0.218 383 A C 1.988 179.570 177.584 -0.004 0.000 1.181 383 A CA 1.934 53.688 52.037 -0.473 0.000 0.627 383 A CB -1.252 17.218 19.000 -0.883 0.000 0.818 383 A HN 0.793 nan 8.150 nan 0.000 0.445 384 N N -0.267 118.475 118.700 0.072 0.000 2.069 384 N HA -0.114 4.626 4.740 0.001 0.000 0.191 384 N C 1.672 177.238 175.510 0.094 0.000 1.031 384 N CA 1.400 54.517 53.050 0.112 0.000 0.852 384 N CB -0.294 38.237 38.487 0.073 0.000 1.018 384 N HN 0.444 nan 8.380 nan 0.000 0.423 385 L N 0.496 121.752 121.223 0.054 0.000 2.017 385 L HA -0.148 4.192 4.340 0.001 0.000 0.208 385 L C 2.174 179.131 176.870 0.144 0.000 1.073 385 L CA 0.885 55.782 54.840 0.097 0.000 0.745 385 L CB -0.429 41.606 42.059 -0.040 0.000 0.894 385 L HN 0.089 nan 8.230 nan 0.000 0.432 386 V N -0.082 119.882 119.914 0.084 0.000 2.515 386 V HA -0.234 3.886 4.120 0.001 0.000 0.250 386 V C 2.691 178.961 176.094 0.293 0.000 1.058 386 V CA 1.562 63.904 62.300 0.070 0.000 1.064 386 V CB -0.854 30.984 31.823 0.026 0.000 0.675 386 V HN 0.465 nan 8.190 nan 0.000 0.461 387 A N 0.170 123.234 122.820 0.406 0.000 1.930 387 A HA -0.066 4.255 4.320 0.001 0.000 0.217 387 A C 2.438 180.119 177.584 0.161 0.000 1.175 387 A CA 1.903 54.147 52.037 0.345 0.000 0.627 387 A CB -0.651 18.465 19.000 0.193 0.000 0.815 387 A HN 0.544 nan 8.150 nan 0.000 0.443 388 A N -0.125 122.750 122.820 0.092 0.000 1.877 388 A HA -0.106 4.215 4.320 0.001 0.000 0.216 388 A C 2.466 180.017 177.584 -0.056 0.000 1.186 388 A CA 2.588 54.646 52.037 0.034 0.000 0.620 388 A CB -1.388 17.640 19.000 0.046 0.000 0.822 388 A HN 0.711 nan 8.150 nan 0.000 0.443 389 T N -1.727 112.663 114.554 -0.273 0.000 2.812 389 T HA -0.101 4.250 4.350 0.001 0.000 0.264 389 T C 1.797 176.400 174.700 -0.161 0.000 1.042 389 T CA 1.361 63.064 62.100 -0.662 0.000 1.140 389 T CB -0.553 67.224 68.868 -1.819 0.000 0.870 389 T HN 0.217 nan 8.240 nan 0.000 0.445 390 L N 2.473 123.755 121.223 0.099 0.000 2.042 390 L HA 0.202 4.543 4.340 0.001 0.000 0.210 390 L C 2.682 179.684 176.870 0.220 0.000 1.076 390 L CA 2.055 57.134 54.840 0.398 0.000 0.749 390 L CB -1.307 41.109 42.059 0.594 0.000 0.893 390 L HN 0.378 nan 8.230 nan 0.000 0.432 391 G N -0.976 107.912 108.800 0.146 0.000 2.469 391 G HA2 -0.321 3.639 3.960 0.001 0.000 0.220 391 G HA3 -0.321 3.639 3.960 0.001 0.000 0.220 391 G C 1.607 176.550 174.900 0.073 0.000 1.136 391 G CA 0.994 46.149 45.100 0.092 0.000 0.759 391 G HN 0.672 nan 8.290 nan 0.000 0.562 392 A N 0.784 123.660 122.820 0.094 0.000 1.877 392 A HA 0.029 4.349 4.320 0.001 0.000 0.216 392 A C 2.419 180.027 177.584 0.041 0.000 1.186 392 A CA 1.359 53.452 52.037 0.093 0.000 0.620 392 A CB -0.366 18.761 19.000 0.211 0.000 0.822 392 A HN 0.382 nan 8.150 nan 0.000 0.443 393 I N -0.164 120.448 120.570 0.071 0.000 2.127 393 I HA -0.288 3.883 4.170 0.001 0.000 0.241 393 I C 2.403 178.469 176.117 -0.085 0.000 1.075 393 I CA 1.366 62.594 61.300 -0.119 0.000 1.334 393 I CB -0.461 37.505 38.000 -0.057 0.000 1.040 393 I HN 0.304 nan 8.210 nan 0.000 0.405 394 L N 0.390 121.616 121.223 0.004 0.000 2.079 394 L HA -0.233 4.108 4.340 0.001 0.000 0.210 394 L C 2.292 179.157 176.870 -0.009 0.000 1.081 394 L CA 1.231 56.073 54.840 0.003 0.000 0.752 394 L CB -0.867 41.204 42.059 0.020 0.000 0.896 394 L HN 0.354 nan 8.230 nan 0.000 0.433 395 N N 0.297 118.991 118.700 -0.009 0.000 2.166 395 N HA -0.191 4.549 4.740 0.001 0.000 0.186 395 N C 1.909 177.402 175.510 -0.027 0.000 1.019 395 N CA 1.111 54.153 53.050 -0.013 0.000 0.856 395 N CB -0.234 38.247 38.487 -0.010 0.000 0.993 395 N HN 0.302 nan 8.380 nan 0.000 0.426 396 R N 0.978 121.443 120.500 -0.058 0.000 2.073 396 R HA 0.014 4.354 4.340 0.001 0.000 0.234 396 R C 2.216 178.509 176.300 -0.012 0.000 1.134 396 R CA 0.983 57.041 56.100 -0.071 0.000 0.952 396 R CB -0.406 29.796 30.300 -0.164 0.000 0.850 396 R HN 0.129 nan 8.270 nan 0.000 0.433 397 L N 0.275 121.495 121.223 -0.005 0.000 2.046 397 L HA -0.141 4.199 4.340 0.001 0.000 0.208 397 L C 2.941 179.837 176.870 0.043 0.000 1.077 397 L CA 1.528 56.401 54.840 0.055 0.000 0.747 397 L CB -0.477 41.619 42.059 0.063 0.000 0.896 397 L HN 0.286 nan 8.230 nan 0.000 0.432 398 R N 0.197 120.709 120.500 0.020 0.000 2.083 398 R HA -0.199 4.142 4.340 0.001 0.000 0.237 398 R C 1.906 178.219 176.300 0.022 0.000 1.137 398 R CA 2.099 58.209 56.100 0.016 0.000 0.951 398 R CB -0.268 30.035 30.300 0.006 0.000 0.851 398 R HN 0.356 nan 8.270 nan 0.000 0.434 399 D N 0.268 120.679 120.400 0.018 0.000 2.123 399 D HA -0.159 4.481 4.640 0.001 0.000 0.196 399 D C 1.588 177.919 176.300 0.052 0.000 0.992 399 D CA 1.138 55.152 54.000 0.023 0.000 0.833 399 D CB -0.496 40.306 40.800 0.003 0.000 0.954 399 D HN 0.236 nan 8.370 nan 0.000 0.455 400 N N 0.565 119.311 118.700 0.076 0.000 2.188 400 N HA -0.085 4.655 4.740 0.001 0.000 0.184 400 N C 1.570 177.123 175.510 0.071 0.000 1.018 400 N CA 0.737 53.855 53.050 0.112 0.000 0.858 400 N CB -0.034 38.539 38.487 0.144 0.000 0.989 400 N HN 0.290 nan 8.380 nan 0.000 0.426 401 K N -0.610 119.822 120.400 0.053 0.000 2.228 401 K HA 0.097 4.418 4.320 0.001 0.000 0.202 401 K C 0.855 177.473 176.600 0.030 0.000 1.051 401 K CA 0.697 57.007 56.287 0.038 0.000 0.960 401 K CB 0.142 32.663 32.500 0.035 0.000 0.743 401 K HN 0.227 nan 8.250 nan 0.000 0.458 402 G N 2.369 111.186 108.800 0.030 0.000 2.147 402 G HA2 -0.259 3.702 3.960 0.001 0.000 0.244 402 G HA3 -0.259 3.702 3.960 0.001 0.000 0.244 402 G C 0.152 175.062 174.900 0.016 0.000 1.005 402 G CA 0.622 45.736 45.100 0.024 0.000 0.713 402 G HN 0.416 nan 8.290 nan 0.000 0.515 403 T N -3.026 111.537 114.554 0.014 0.000 2.950 403 T HA 0.726 5.076 4.350 0.001 0.000 0.288 403 T C -0.929 173.775 174.700 0.006 0.000 1.035 403 T CA -1.079 61.027 62.100 0.009 0.000 1.028 403 T CB 2.512 71.385 68.868 0.008 0.000 1.109 403 T HN -0.104 nan 8.240 nan 0.000 0.514 404 P HA 0.051 nan 4.420 nan 0.000 0.216 404 P C 0.356 177.655 177.300 -0.002 0.000 1.153 404 P CA 0.902 64.002 63.100 0.001 0.000 0.848 404 P CB 0.241 31.941 31.700 -0.000 0.000 0.787 405 R N -0.651 119.846 120.500 -0.005 0.000 2.778 405 R HA 0.580 4.920 4.340 0.001 0.000 0.277 405 R C -0.882 175.411 176.300 -0.012 0.000 0.977 405 R CA -1.107 54.987 56.100 -0.010 0.000 0.950 405 R CB 1.516 31.807 30.300 -0.015 0.000 1.165 405 R HN -0.042 nan 8.270 nan 0.000 0.474 406 L N 1.589 122.801 121.223 -0.018 0.000 2.322 406 L HA 0.454 4.795 4.340 0.001 0.000 0.281 406 L C -0.586 176.259 176.870 -0.041 0.000 1.014 406 L CA -0.217 54.611 54.840 -0.020 0.000 0.815 406 L CB 1.264 43.313 42.059 -0.016 0.000 1.247 406 L HN 0.473 nan 8.230 nan 0.000 0.421 407 R N 3.473 123.944 120.500 -0.048 0.000 2.393 407 R HA 0.672 5.013 4.340 0.001 0.000 0.315 407 R C -1.282 174.973 176.300 -0.075 0.000 0.952 407 R CA -0.174 55.870 56.100 -0.093 0.000 0.842 407 R CB 1.467 31.677 30.300 -0.150 0.000 1.163 407 R HN 0.824 nan 8.270 nan 0.000 0.450 408 T N 1.289 115.787 114.554 -0.093 0.000 2.802 408 T HA 0.362 4.713 4.350 0.001 0.000 0.311 408 T C -1.444 173.202 174.700 -0.091 0.000 1.405 408 T CA -0.263 61.811 62.100 -0.044 0.000 1.016 408 T CB 1.937 70.792 68.868 -0.022 0.000 1.352 408 T HN 0.460 nan 8.240 nan 0.000 0.498 409 T N 2.075 116.606 114.554 -0.037 0.000 2.807 409 T HA 0.618 4.969 4.350 0.001 0.000 0.279 409 T C -0.719 173.940 174.700 -0.068 0.000 0.993 409 T CA -0.421 61.634 62.100 -0.076 0.000 0.970 409 T CB 1.280 70.157 68.868 0.015 0.000 0.950 409 T HN 0.467 nan 8.240 nan 0.000 0.441 410 V N 3.053 122.882 119.914 -0.141 0.000 2.370 410 V HA 0.600 4.720 4.120 0.001 0.000 0.279 410 V C 0.908 177.039 176.094 0.061 0.000 1.029 410 V CA -0.781 61.500 62.300 -0.032 0.000 0.870 410 V CB 1.368 33.166 31.823 -0.042 0.000 0.984 410 V HN 1.015 nan 8.190 nan 0.000 0.451 411 G N 4.006 112.843 108.800 0.062 0.000 2.370 411 G HA2 0.542 4.502 3.960 0.001 0.000 0.272 411 G HA3 0.542 4.502 3.960 0.001 0.000 0.272 411 G C -0.738 174.188 174.900 0.043 0.000 1.208 411 G CA -0.183 44.956 45.100 0.065 0.000 0.856 411 G HN 0.576 nan 8.290 nan 0.000 0.500 412 V N 2.504 122.427 119.914 0.015 0.000 2.735 412 V HA 0.621 4.742 4.120 0.001 0.000 0.310 412 V C -0.767 175.248 176.094 -0.130 0.000 1.061 412 V CA -0.811 61.402 62.300 -0.146 0.000 0.913 412 V CB 2.134 33.665 31.823 -0.487 0.000 1.005 412 V HN 0.788 nan 8.190 nan 0.000 0.428 413 D N 0.594 120.906 120.400 -0.147 0.000 2.626 413 D HA 0.789 5.429 4.640 0.001 0.000 0.278 413 D C -0.377 175.892 176.300 -0.051 0.000 1.211 413 D CA 0.698 54.667 54.000 -0.052 0.000 0.903 413 D CB 2.493 43.280 40.800 -0.022 0.000 1.408 413 D HN 1.113 nan 8.370 nan 0.000 0.454 414 G N -0.359 108.445 108.800 0.006 0.000 2.535 414 G HA2 0.057 4.017 3.960 0.001 0.000 0.662 414 G HA3 0.057 4.017 3.960 0.001 0.000 0.662 414 G C 0.417 175.332 174.900 0.026 0.000 1.417 414 G CA 0.230 45.328 45.100 -0.004 0.000 0.866 414 G HN 0.273 nan 8.290 nan 0.000 0.647 415 S N 0.228 115.925 115.700 -0.005 0.000 2.382 415 S HA -0.121 4.350 4.470 0.001 0.000 0.228 415 S C 2.480 177.061 174.600 -0.032 0.000 1.027 415 S CA 1.731 59.926 58.200 -0.008 0.000 0.991 415 S CB -0.202 62.985 63.200 -0.022 0.000 0.823 415 S HN 1.005 nan 8.310 nan 0.000 0.469 416 L N 0.845 122.014 121.223 -0.089 0.000 2.017 416 L HA -0.049 4.291 4.340 0.001 0.000 0.208 416 L C 2.002 178.739 176.870 -0.223 0.000 1.073 416 L CA 1.810 56.532 54.840 -0.197 0.000 0.745 416 L CB -1.130 40.709 42.059 -0.367 0.000 0.894 416 L HN 0.361 nan 8.230 nan 0.000 0.432 417 Y N 0.372 120.484 120.300 -0.313 0.000 2.181 417 Y HA -0.258 4.292 4.550 0.001 0.000 0.288 417 Y C 2.432 178.302 175.900 -0.050 0.000 1.146 417 Y CA 2.189 60.176 58.100 -0.189 0.000 1.164 417 Y CB -0.074 38.317 38.460 -0.115 0.000 0.982 417 Y HN 0.205 nan 8.280 nan 0.000 0.515 418 K N -1.128 119.346 120.400 0.124 0.000 2.155 418 K HA -0.073 4.247 4.320 0.001 0.000 0.203 418 K C 1.844 178.439 176.600 -0.008 0.000 1.052 418 K CA 1.683 58.013 56.287 0.071 0.000 0.948 418 K CB -0.068 32.496 32.500 0.107 0.000 0.728 418 K HN 0.501 nan 8.250 nan 0.000 0.448 419 T N -2.927 111.619 114.554 -0.014 0.000 2.990 419 T HA 0.019 4.370 4.350 0.001 0.000 0.249 419 T C 0.698 175.389 174.700 -0.015 0.000 1.039 419 T CA -0.294 61.794 62.100 -0.020 0.000 1.036 419 T CB -0.092 68.762 68.868 -0.023 0.000 0.994 419 T HN 0.073 nan 8.240 nan 0.000 0.489 420 H N 3.698 122.704 119.070 -0.107 0.000 2.848 420 H HA 0.178 4.734 4.556 0.001 0.000 0.341 420 H C -1.526 173.759 175.328 -0.072 0.000 1.060 420 H CA -1.286 54.714 56.048 -0.080 0.000 1.444 420 H CB 1.797 31.513 29.762 -0.077 0.000 1.446 420 H HN 0.068 nan 8.280 nan 0.000 0.583 421 P HA -0.064 nan 4.420 nan 0.000 0.225 421 P C 0.434 177.741 177.300 0.013 0.000 1.156 421 P CA 0.913 63.953 63.100 -0.099 0.000 0.787 421 P CB 0.717 32.318 31.700 -0.166 0.000 0.802 422 Q N -2.416 117.518 119.800 0.224 0.000 2.245 422 Q HA 0.077 4.418 4.340 0.001 0.000 0.250 422 Q C 1.907 177.917 176.000 0.017 0.000 0.830 422 Q CA 0.018 55.888 55.803 0.113 0.000 0.950 422 Q CB -0.630 28.155 28.738 0.078 0.000 1.124 422 Q HN 0.291 nan 8.270 nan 0.000 0.502 423 Y N 2.998 123.262 120.300 -0.061 0.000 2.145 423 Y HA -0.289 4.262 4.550 0.001 0.000 0.286 423 Y C 2.575 178.262 175.900 -0.354 0.000 1.145 423 Y CA 2.319 60.191 58.100 -0.380 0.000 1.148 423 Y CB 0.130 38.261 38.460 -0.548 0.000 0.981 423 Y HN 0.199 nan 8.280 nan 0.000 0.507 424 S N 0.290 115.868 115.700 -0.202 0.000 2.368 424 S HA -0.270 4.200 4.470 0.001 0.000 0.225 424 S C 2.126 176.299 174.600 -0.712 0.000 1.030 424 S CA 1.257 59.117 58.200 -0.566 0.000 0.999 424 S CB -0.728 61.814 63.200 -1.097 0.000 0.844 424 S HN 0.566 nan 8.310 nan 0.000 0.459 425 R N 1.449 121.700 120.500 -0.415 0.000 2.091 425 R HA -0.062 4.278 4.340 0.001 0.000 0.238 425 R C 2.637 178.770 176.300 -0.278 0.000 1.136 425 R CA 1.536 57.478 56.100 -0.263 0.000 0.959 425 R CB -0.197 30.018 30.300 -0.142 0.000 0.856 425 R HN 0.439 nan 8.270 nan 0.000 0.437 426 R N -0.716 119.558 120.500 -0.378 0.000 2.075 426 R HA -0.118 4.222 4.340 0.001 0.000 0.232 426 R C 2.231 178.350 176.300 -0.301 0.000 1.126 426 R CA 1.632 57.457 56.100 -0.458 0.000 0.963 426 R CB -0.454 29.239 30.300 -1.012 0.000 0.858 426 R HN 0.286 nan 8.270 nan 0.000 0.435 427 F N 1.103 120.740 119.950 -0.523 0.000 2.075 427 F HA -0.262 4.265 4.527 0.001 0.000 0.297 427 F C 1.992 177.678 175.800 -0.190 0.000 1.113 427 F CA 1.806 59.588 58.000 -0.364 0.000 1.218 427 F CB -0.219 38.550 39.000 -0.386 0.000 0.984 427 F HN 0.088 nan 8.300 nan 0.000 0.472 428 H N -0.125 118.631 119.070 -0.524 0.000 2.319 428 H HA -0.219 4.338 4.556 0.001 0.000 0.297 428 H C 2.295 177.461 175.328 -0.270 0.000 1.097 428 H CA 1.703 57.381 56.048 -0.616 0.000 1.285 428 H CB -0.291 29.237 29.762 -0.390 0.000 1.368 428 H HN 0.250 nan 8.280 nan 0.000 0.495 429 K N 0.383 120.759 120.400 -0.039 0.000 2.057 429 K HA -0.149 4.172 4.320 0.001 0.000 0.207 429 K C 2.014 178.616 176.600 0.004 0.000 1.049 429 K CA 1.828 58.117 56.287 0.004 0.000 0.931 429 K CB 0.008 32.513 32.500 0.008 0.000 0.714 429 K HN 0.203 nan 8.250 nan 0.000 0.440 430 T N 2.000 116.550 114.554 -0.006 0.000 2.777 430 T HA -0.150 4.200 4.350 0.001 0.000 0.266 430 T C 1.741 176.440 174.700 -0.002 0.000 1.040 430 T CA 1.244 63.362 62.100 0.030 0.000 1.141 430 T CB -0.215 68.704 68.868 0.084 0.000 0.868 430 T HN 0.202 nan 8.240 nan 0.000 0.444 431 L N 1.284 122.459 121.223 -0.081 0.000 1.990 431 L HA -0.126 4.214 4.340 0.001 0.000 0.213 431 L C 2.526 179.405 176.870 0.014 0.000 1.072 431 L CA 1.835 56.641 54.840 -0.057 0.000 0.755 431 L CB -0.320 41.639 42.059 -0.167 0.000 0.889 431 L HN 0.066 nan 8.230 nan 0.000 0.432 432 R N -1.011 119.506 120.500 0.029 0.000 2.120 432 R HA -0.146 4.195 4.340 0.001 0.000 0.234 432 R C 2.490 178.805 176.300 0.026 0.000 1.123 432 R CA 1.430 57.554 56.100 0.041 0.000 0.975 432 R CB -0.374 29.960 30.300 0.057 0.000 0.866 432 R HN 0.402 nan 8.270 nan 0.000 0.446 433 R N 0.854 121.368 120.500 0.023 0.000 2.092 433 R HA -0.037 4.304 4.340 0.001 0.000 0.231 433 R C 2.063 178.375 176.300 0.019 0.000 1.119 433 R CA 0.981 57.094 56.100 0.021 0.000 0.970 433 R CB -0.032 30.283 30.300 0.024 0.000 0.864 433 R HN 0.190 nan 8.270 nan 0.000 0.440 434 L N 0.058 121.295 121.223 0.022 0.000 2.240 434 L HA 0.007 4.347 4.340 0.001 0.000 0.211 434 L C 0.424 177.307 176.870 0.022 0.000 1.106 434 L CA 0.461 55.315 54.840 0.024 0.000 0.793 434 L CB 0.416 42.495 42.059 0.032 0.000 0.927 434 L HN -0.054 nan 8.230 nan 0.000 0.446 435 V N 1.008 120.935 119.914 0.021 0.000 2.271 435 V HA 0.169 4.289 4.120 0.001 0.000 0.259 435 V C -1.473 174.627 176.094 0.010 0.000 1.030 435 V CA -0.737 61.573 62.300 0.016 0.000 0.957 435 V CB 0.793 32.627 31.823 0.019 0.000 1.186 435 V HN 0.035 nan 8.190 nan 0.000 0.471 436 P HA -0.076 nan 4.420 nan 0.000 0.223 436 P C 0.699 177.999 177.300 0.000 0.000 1.151 436 P CA 1.003 64.106 63.100 0.005 0.000 0.787 436 P CB 0.498 32.202 31.700 0.007 0.000 0.788 437 D N -0.201 120.198 120.400 -0.001 0.000 2.363 437 D HA -0.011 4.629 4.640 0.001 0.000 0.220 437 D C 0.821 177.114 176.300 -0.012 0.000 0.994 437 D CA 0.609 54.606 54.000 -0.005 0.000 0.890 437 D CB -0.004 40.794 40.800 -0.003 0.000 0.906 437 D HN 0.291 nan 8.370 nan 0.000 0.530 438 S N 0.321 116.012 115.700 -0.015 0.000 2.525 438 S HA 0.413 4.884 4.470 0.001 0.000 0.290 438 S C -0.549 174.027 174.600 -0.041 0.000 1.152 438 S CA -0.943 57.240 58.200 -0.029 0.000 1.072 438 S CB 2.159 65.340 63.200 -0.031 0.000 1.027 438 S HN -0.255 nan 8.310 nan 0.000 0.500 439 D N 2.108 122.473 120.400 -0.058 0.000 2.467 439 D HA 0.464 5.105 4.640 0.001 0.000 0.220 439 D C -0.730 175.501 176.300 -0.115 0.000 1.103 439 D CA -0.226 53.731 54.000 -0.073 0.000 0.886 439 D CB 1.216 41.972 40.800 -0.074 0.000 1.025 439 D HN 0.394 nan 8.370 nan 0.000 0.514 440 V N 2.478 122.307 119.914 -0.141 0.000 2.417 440 V HA 0.451 4.571 4.120 0.001 0.000 0.291 440 V C 0.339 176.232 176.094 -0.336 0.000 1.024 440 V CA -0.963 61.175 62.300 -0.271 0.000 0.861 440 V CB 1.963 33.568 31.823 -0.363 0.000 0.985 440 V HN 0.315 nan 8.190 nan 0.000 0.436 441 R N 3.459 123.745 120.500 -0.357 0.000 2.460 441 R HA 0.583 4.923 4.340 0.001 0.000 0.303 441 R C -1.746 174.319 176.300 -0.392 0.000 0.968 441 R CA -0.546 55.400 56.100 -0.257 0.000 0.889 441 R CB 1.146 31.375 30.300 -0.117 0.000 1.123 441 R HN 0.564 nan 8.270 nan 0.000 0.455 442 F N 4.618 124.528 119.950 -0.068 0.000 2.388 442 F HA 0.337 4.864 4.527 0.001 0.000 0.358 442 F C -0.216 175.626 175.800 0.070 0.000 1.122 442 F CA -0.860 57.147 58.000 0.010 0.000 1.056 442 F CB 1.442 40.419 39.000 -0.040 0.000 1.155 442 F HN 0.260 nan 8.300 nan 0.000 0.461 443 L N 5.456 126.815 121.223 0.226 0.000 2.287 443 L HA 0.510 4.851 4.340 0.001 0.000 0.287 443 L C -0.859 176.133 176.870 0.205 0.000 1.022 443 L CA -0.843 54.108 54.840 0.185 0.000 0.814 443 L CB 1.079 43.206 42.059 0.113 0.000 1.217 443 L HN 0.521 nan 8.230 nan 0.000 0.420 444 L N 3.859 125.222 121.223 0.234 0.000 2.416 444 L HA 0.282 4.622 4.340 0.001 0.000 0.272 444 L C 0.467 177.421 176.870 0.139 0.000 1.161 444 L CA 0.697 55.671 54.840 0.222 0.000 0.845 444 L CB 1.199 43.421 42.059 0.271 0.000 1.119 444 L HN 0.732 nan 8.230 nan 0.000 0.464 445 S N 3.655 119.417 115.700 0.104 0.000 2.701 445 S HA 0.170 4.641 4.470 0.001 0.000 0.317 445 S C 0.932 175.575 174.600 0.071 0.000 1.149 445 S CA -0.289 57.955 58.200 0.073 0.000 1.052 445 S CB -0.305 62.920 63.200 0.043 0.000 1.257 445 S HN 0.857 nan 8.310 nan 0.000 0.532 446 E N 2.212 122.456 120.200 0.073 0.000 2.285 446 E HA -0.014 4.336 4.350 0.001 0.000 0.194 446 E C 1.309 177.935 176.600 0.044 0.000 0.997 446 E CA 0.502 56.940 56.400 0.063 0.000 0.845 446 E CB 0.192 29.931 29.700 0.064 0.000 0.782 446 E HN 0.591 nan 8.360 nan 0.000 0.491 447 S N -0.176 115.547 115.700 0.038 0.000 2.524 447 S HA 0.212 4.683 4.470 0.001 0.000 0.216 447 S C 0.676 175.287 174.600 0.018 0.000 0.987 447 S CA 0.340 58.553 58.200 0.022 0.000 0.909 447 S CB 0.746 63.954 63.200 0.014 0.000 0.781 447 S HN 0.454 nan 8.310 nan 0.000 0.521 448 G N 1.127 109.940 108.800 0.023 0.000 2.756 448 G HA2 -0.201 3.760 3.960 0.001 0.000 0.678 448 G HA3 -0.201 3.760 3.960 0.001 0.000 0.678 448 G C 0.531 175.437 174.900 0.010 0.000 1.349 448 G CA -0.139 44.972 45.100 0.019 0.000 0.847 448 G HN 0.103 nan 8.290 nan 0.000 0.548 449 S N -0.247 115.459 115.700 0.009 0.000 2.399 449 S HA -0.033 4.438 4.470 0.001 0.000 0.231 449 S C 2.771 177.371 174.600 0.000 0.000 1.022 449 S CA 2.221 60.422 58.200 0.002 0.000 0.983 449 S CB -0.870 62.334 63.200 0.007 0.000 0.803 449 S HN 1.996 nan 8.310 nan 0.000 0.480 450 G N 1.438 110.243 108.800 0.009 0.000 2.556 450 G HA2 -0.358 3.602 3.960 0.001 0.000 0.220 450 G HA3 -0.358 3.602 3.960 0.001 0.000 0.220 450 G C 1.383 176.268 174.900 -0.025 0.000 1.156 450 G CA 1.480 46.582 45.100 0.004 0.000 0.766 450 G HN 0.595 nan 8.290 nan 0.000 0.583 451 K N 0.229 120.607 120.400 -0.037 0.000 2.026 451 K HA -0.001 4.319 4.320 0.001 0.000 0.208 451 K C 2.660 179.190 176.600 -0.116 0.000 1.048 451 K CA 1.558 57.795 56.287 -0.083 0.000 0.929 451 K CB -0.655 31.796 32.500 -0.083 0.000 0.713 451 K HN 0.233 nan 8.250 nan 0.000 0.439 452 G N 0.153 108.910 108.800 -0.072 0.000 2.408 452 G HA2 -0.211 3.749 3.960 0.001 0.000 0.217 452 G HA3 -0.211 3.749 3.960 0.001 0.000 0.217 452 G C 1.575 176.428 174.900 -0.078 0.000 1.150 452 G CA 0.765 45.827 45.100 -0.064 0.000 0.776 452 G HN 0.438 nan 8.290 nan 0.000 0.542 453 A N 1.187 123.970 122.820 -0.062 0.000 1.933 453 A HA 0.258 4.578 4.320 0.001 0.000 0.218 453 A C 2.774 180.275 177.584 -0.139 0.000 1.175 453 A CA 2.160 54.161 52.037 -0.061 0.000 0.628 453 A CB -0.669 18.326 19.000 -0.007 0.000 0.814 453 A HN 0.741 nan 8.150 nan 0.000 0.444 454 A N -0.814 121.898 122.820 -0.179 0.000 1.930 454 A HA -0.091 4.229 4.320 0.001 0.000 0.217 454 A C 2.134 179.410 177.584 -0.513 0.000 1.175 454 A CA 1.847 53.661 52.037 -0.371 0.000 0.627 454 A CB -0.438 18.450 19.000 -0.187 0.000 0.815 454 A HN 0.441 nan 8.150 nan 0.000 0.443 455 M N -0.451 118.976 119.600 -0.289 0.000 2.132 455 M HA -0.066 4.414 4.480 0.001 0.000 0.263 455 M C 2.165 178.352 176.300 -0.187 0.000 1.065 455 M CA 1.167 56.340 55.300 -0.211 0.000 1.122 455 M CB -1.426 31.121 32.600 -0.088 0.000 1.365 455 M HN 0.220 nan 8.290 nan 0.000 0.411 456 V N 0.230 120.051 119.914 -0.155 0.000 2.407 456 V HA -0.222 3.898 4.120 0.001 0.000 0.248 456 V C 2.432 178.443 176.094 -0.139 0.000 1.055 456 V CA 2.018 64.254 62.300 -0.106 0.000 1.049 456 V CB -1.213 30.571 31.823 -0.065 0.000 0.662 456 V HN 0.467 nan 8.190 nan 0.000 0.455 457 T N 0.373 114.778 114.554 -0.248 0.000 2.777 457 T HA -0.132 4.219 4.350 0.001 0.000 0.266 457 T C 2.108 176.623 174.700 -0.308 0.000 1.040 457 T CA 1.557 63.494 62.100 -0.272 0.000 1.141 457 T CB -0.421 68.218 68.868 -0.382 0.000 0.868 457 T HN 0.567 nan 8.240 nan 0.000 0.444 458 A N 1.100 123.559 122.820 -0.603 0.000 1.865 458 A HA -0.100 4.220 4.320 0.001 0.000 0.217 458 A C 2.590 180.194 177.584 0.033 0.000 1.191 458 A CA 1.723 53.622 52.037 -0.230 0.000 0.623 458 A CB -1.136 17.778 19.000 -0.144 0.000 0.826 458 A HN 0.354 nan 8.150 nan 0.000 0.444 459 V N -0.238 119.659 119.914 -0.029 0.000 2.358 459 V HA -0.213 3.907 4.120 0.001 0.000 0.246 459 V C 3.045 179.134 176.094 -0.008 0.000 1.047 459 V CA 1.871 64.171 62.300 0.001 0.000 1.035 459 V CB -1.271 30.546 31.823 -0.010 0.000 0.658 459 V HN 0.633 nan 8.190 nan 0.000 0.452 460 A N -0.782 122.033 122.820 -0.008 0.000 1.902 460 A HA -0.279 4.041 4.320 0.001 0.000 0.217 460 A C 2.175 179.759 177.584 -0.000 0.000 1.181 460 A CA 2.157 54.188 52.037 -0.010 0.000 0.623 460 A CB -0.757 18.249 19.000 0.010 0.000 0.818 460 A HN 0.652 nan 8.150 nan 0.000 0.443 461 Y N 0.301 120.579 120.300 -0.036 0.000 2.200 461 Y HA -0.160 4.390 4.550 0.001 0.000 0.290 461 Y C 2.484 178.361 175.900 -0.038 0.000 1.137 461 Y CA 2.000 60.098 58.100 -0.004 0.000 1.163 461 Y CB -0.365 38.156 38.460 0.100 0.000 0.988 461 Y HN 0.315 nan 8.280 nan 0.000 0.518 462 R N 0.160 120.612 120.500 -0.078 0.000 2.091 462 R HA -0.158 4.182 4.340 0.001 0.000 0.238 462 R C 2.040 178.162 176.300 -0.297 0.000 1.136 462 R CA 2.037 58.033 56.100 -0.174 0.000 0.959 462 R CB -0.455 29.835 30.300 -0.016 0.000 0.856 462 R HN 0.480 nan 8.270 nan 0.000 0.437 463 L N -0.084 120.955 121.223 -0.305 0.000 2.156 463 L HA 0.006 4.346 4.340 0.001 0.000 0.208 463 L C 2.658 179.010 176.870 -0.864 0.000 1.095 463 L CA 0.884 55.398 54.840 -0.542 0.000 0.770 463 L CB -0.472 41.339 42.059 -0.414 0.000 0.914 463 L HN 0.302 nan 8.230 nan 0.000 0.439 464 A N -0.238 122.260 122.820 -0.537 0.000 1.930 464 A HA -0.162 4.159 4.320 0.001 0.000 0.217 464 A C 2.230 179.573 177.584 -0.402 0.000 1.175 464 A CA 1.248 53.040 52.037 -0.408 0.000 0.627 464 A CB -0.240 18.632 19.000 -0.213 0.000 0.815 464 A HN 0.300 nan 8.150 nan 0.000 0.443 465 E N -0.395 119.511 120.200 -0.491 0.000 2.072 465 E HA -0.228 4.122 4.350 0.001 0.000 0.191 465 E C 2.204 178.590 176.600 -0.357 0.000 0.985 465 E CA 1.456 57.613 56.400 -0.406 0.000 0.801 465 E CB -0.389 29.035 29.700 -0.459 0.000 0.750 465 E HN 0.899 nan 8.360 nan 0.000 0.452 466 Q N 0.286 119.815 119.800 -0.453 0.000 2.124 466 Q HA -0.181 4.160 4.340 0.001 0.000 0.202 466 Q C 1.777 177.388 176.000 -0.648 0.000 0.977 466 Q CA 1.448 56.842 55.803 -0.682 0.000 0.850 466 Q CB -0.170 28.225 28.738 -0.571 0.000 0.901 466 Q HN 0.526 nan 8.270 nan 0.000 0.429 467 H N -0.405 118.394 119.070 -0.452 0.000 2.357 467 H HA -0.078 4.479 4.556 0.001 0.000 0.301 467 H C 2.345 177.492 175.328 -0.302 0.000 1.082 467 H CA 1.069 56.899 56.048 -0.364 0.000 1.342 467 H CB -0.017 29.595 29.762 -0.250 0.000 1.389 467 H HN 0.218 nan 8.280 nan 0.000 0.511 468 R N 1.349 121.768 120.500 -0.136 0.000 2.096 468 R HA -0.201 4.140 4.340 0.001 0.000 0.240 468 R C 2.100 178.337 176.300 -0.104 0.000 1.139 468 R CA 1.983 58.018 56.100 -0.108 0.000 0.952 468 R CB -0.038 30.200 30.300 -0.103 0.000 0.854 468 R HN 0.451 nan 8.270 nan 0.000 0.436 469 Q N -0.040 119.671 119.800 -0.148 0.000 2.119 469 Q HA -0.108 4.232 4.340 0.001 0.000 0.201 469 Q C 2.244 178.222 176.000 -0.037 0.000 0.972 469 Q CA 1.567 57.345 55.803 -0.042 0.000 0.847 469 Q CB -0.035 28.732 28.738 0.048 0.000 0.903 469 Q HN 0.442 nan 8.270 nan 0.000 0.433 470 I N 0.857 121.252 120.570 -0.292 0.000 2.179 470 I HA -0.259 3.911 4.170 0.001 0.000 0.242 470 I C 2.212 178.322 176.117 -0.012 0.000 1.088 470 I CA 0.985 62.120 61.300 -0.275 0.000 1.357 470 I CB -0.186 37.483 38.000 -0.552 0.000 1.051 470 I HN 0.178 nan 8.210 nan 0.000 0.409 471 E N 0.798 120.959 120.200 -0.065 0.000 2.110 471 E HA -0.224 4.126 4.350 0.001 0.000 0.193 471 E C 2.033 178.634 176.600 0.001 0.000 0.988 471 E CA 1.203 57.584 56.400 -0.031 0.000 0.804 471 E CB -0.227 29.432 29.700 -0.069 0.000 0.745 471 E HN 0.578 nan 8.360 nan 0.000 0.458 472 E N 0.135 120.340 120.200 0.008 0.000 2.077 472 E HA -0.127 4.224 4.350 0.001 0.000 0.193 472 E C 2.087 178.722 176.600 0.058 0.000 0.989 472 E CA 1.496 57.894 56.400 -0.005 0.000 0.800 472 E CB -0.092 29.631 29.700 0.038 0.000 0.746 472 E HN 0.157 nan 8.360 nan 0.000 0.452 473 T N 1.561 116.269 114.554 0.256 0.000 2.701 473 T HA -0.101 4.249 4.350 0.001 0.000 0.263 473 T C 1.941 176.919 174.700 0.463 0.000 1.040 473 T CA 0.873 63.259 62.100 0.476 0.000 1.147 473 T CB -0.202 69.024 68.868 0.596 0.000 0.865 473 T HN 0.087 nan 8.240 nan 0.000 0.426 474 L N 0.878 122.299 121.223 0.330 0.000 2.275 474 L HA 0.016 4.356 4.340 0.001 0.000 0.215 474 L C 2.917 179.956 176.870 0.280 0.000 1.119 474 L CA 0.731 55.751 54.840 0.300 0.000 0.790 474 L CB -0.656 41.491 42.059 0.147 0.000 0.919 474 L HN 0.229 nan 8.230 nan 0.000 0.443 475 A N -0.518 122.362 122.820 0.100 0.000 2.067 475 A HA -0.201 4.119 4.320 0.001 0.000 0.219 475 A C 1.841 179.441 177.584 0.027 0.000 1.158 475 A CA 1.182 53.227 52.037 0.013 0.000 0.661 475 A CB -0.795 18.128 19.000 -0.129 0.000 0.801 475 A HN 0.475 nan 8.150 nan 0.000 0.452 476 H N -2.385 116.780 119.070 0.160 0.000 2.521 476 H HA -0.025 4.531 4.556 0.001 0.000 0.286 476 H C 1.011 176.266 175.328 -0.122 0.000 1.034 476 H CA 1.445 57.494 56.048 0.002 0.000 1.278 476 H CB -0.132 29.583 29.762 -0.078 0.000 1.386 476 H HN 0.603 nan 8.280 nan 0.000 0.567 477 F N -1.142 118.918 119.950 0.183 0.000 2.776 477 F HA 0.066 4.593 4.527 0.001 0.000 0.300 477 F C 0.992 176.841 175.800 0.082 0.000 1.116 477 F CA -0.092 57.975 58.000 0.112 0.000 1.375 477 F CB -0.002 39.042 39.000 0.072 0.000 1.109 477 F HN 0.164 nan 8.300 nan 0.000 0.585 478 H N 1.337 120.502 119.070 0.158 0.000 2.722 478 H HA 0.432 4.989 4.556 0.001 0.000 0.328 478 H C -0.677 174.678 175.328 0.045 0.000 1.067 478 H CA 0.039 56.134 56.048 0.079 0.000 1.447 478 H CB 0.446 30.233 29.762 0.042 0.000 1.469 478 H HN -0.011 nan 8.280 nan 0.000 0.544 479 L N 5.484 126.409 121.223 -0.496 0.000 2.325 479 L HA 0.288 4.629 4.340 0.001 0.000 0.281 479 L C 0.455 177.096 176.870 -0.382 0.000 1.004 479 L CA -0.908 53.763 54.840 -0.281 0.000 0.823 479 L CB 1.821 43.791 42.059 -0.149 0.000 1.236 479 L HN 0.788 nan 8.230 nan 0.000 0.415 480 T N -1.568 112.899 114.554 -0.144 0.000 2.788 480 T HA 0.104 4.454 4.350 0.001 0.000 0.287 480 T C 1.029 175.700 174.700 -0.049 0.000 1.007 480 T CA -0.487 61.587 62.100 -0.044 0.000 1.005 480 T CB 1.421 70.321 68.868 0.052 0.000 1.012 480 T HN 0.686 nan 8.240 nan 0.000 0.530 481 K N 0.153 120.543 120.400 -0.017 0.000 2.057 481 K HA -0.176 4.145 4.320 0.001 0.000 0.207 481 K C 1.499 178.096 176.600 -0.005 0.000 1.049 481 K CA 1.787 58.066 56.287 -0.013 0.000 0.931 481 K CB -0.334 32.166 32.500 0.000 0.000 0.714 481 K HN 0.602 nan 8.250 nan 0.000 0.440 482 D N 0.586 120.988 120.400 0.003 0.000 2.117 482 D HA -0.158 4.482 4.640 0.001 0.000 0.197 482 D C 1.953 178.254 176.300 0.001 0.000 0.987 482 D CA 1.292 55.294 54.000 0.004 0.000 0.829 482 D CB -0.075 40.730 40.800 0.009 0.000 0.961 482 D HN 0.313 nan 8.370 nan 0.000 0.460 483 M N -0.073 119.525 119.600 -0.002 0.000 2.086 483 M HA -0.129 4.352 4.480 0.001 0.000 0.261 483 M C 2.290 178.587 176.300 -0.005 0.000 1.067 483 M CA 1.101 56.398 55.300 -0.006 0.000 1.116 483 M CB -0.224 32.368 32.600 -0.013 0.000 1.348 483 M HN 0.000 nan 8.290 nan 0.000 0.407 484 L N -0.114 121.101 121.223 -0.013 0.000 2.046 484 L HA -0.230 4.110 4.340 0.001 0.000 0.208 484 L C 2.344 179.218 176.870 0.006 0.000 1.077 484 L CA 1.119 55.957 54.840 -0.005 0.000 0.747 484 L CB -0.681 41.367 42.059 -0.019 0.000 0.896 484 L HN 0.344 nan 8.230 nan 0.000 0.432 485 L N -0.378 120.847 121.223 0.003 0.000 2.131 485 L HA -0.221 4.119 4.340 0.001 0.000 0.210 485 L C 2.620 179.495 176.870 0.008 0.000 1.092 485 L CA 1.011 55.854 54.840 0.005 0.000 0.759 485 L CB -0.354 41.707 42.059 0.004 0.000 0.903 485 L HN 0.271 nan 8.230 nan 0.000 0.435 486 E N 0.042 120.248 120.200 0.010 0.000 2.106 486 E HA -0.145 4.206 4.350 0.001 0.000 0.192 486 E C 2.080 178.700 176.600 0.033 0.000 0.984 486 E CA 1.093 57.501 56.400 0.014 0.000 0.806 486 E CB -0.100 29.605 29.700 0.007 0.000 0.750 486 E HN 0.184 nan 8.360 nan 0.000 0.458 487 V N 1.280 121.217 119.914 0.039 0.000 2.343 487 V HA -0.248 3.872 4.120 0.001 0.000 0.247 487 V C 2.498 178.641 176.094 0.082 0.000 1.051 487 V CA 2.124 64.481 62.300 0.095 0.000 1.036 487 V CB -0.596 31.283 31.823 0.093 0.000 0.654 487 V HN 0.343 nan 8.190 nan 0.000 0.451 488 K N 0.733 121.146 120.400 0.022 0.000 2.032 488 K HA -0.280 4.041 4.320 0.001 0.000 0.209 488 K C 2.297 178.875 176.600 -0.037 0.000 1.048 488 K CA 2.171 58.444 56.287 -0.024 0.000 0.927 488 K CB -0.238 32.256 32.500 -0.010 0.000 0.712 488 K HN 0.414 nan 8.250 nan 0.000 0.441 489 K N 0.614 121.010 120.400 -0.007 0.000 2.057 489 K HA -0.170 4.151 4.320 0.001 0.000 0.207 489 K C 2.199 178.800 176.600 0.001 0.000 1.049 489 K CA 1.445 57.728 56.287 -0.007 0.000 0.931 489 K CB -0.027 32.476 32.500 0.005 0.000 0.714 489 K HN 0.135 nan 8.250 nan 0.000 0.440 490 R N -0.043 120.487 120.500 0.051 0.000 2.081 490 R HA -0.148 4.192 4.340 0.001 0.000 0.235 490 R C 2.413 178.735 176.300 0.038 0.000 1.131 490 R CA 1.799 57.973 56.100 0.123 0.000 0.960 490 R CB -0.327 30.124 30.300 0.252 0.000 0.856 490 R HN 0.252 nan 8.270 nan 0.000 0.436 491 M N 0.782 120.258 119.600 -0.207 0.000 2.080 491 M HA -0.180 4.301 4.480 0.001 0.000 0.260 491 M C 2.106 178.217 176.300 -0.315 0.000 1.068 491 M CA 1.735 56.620 55.300 -0.692 0.000 1.109 491 M CB -0.250 31.884 32.600 -0.777 0.000 1.342 491 M HN -0.164 nan 8.290 nan 0.000 0.405 492 R N 0.389 120.785 120.500 -0.173 0.000 2.096 492 R HA -0.074 4.267 4.340 0.001 0.000 0.240 492 R C 2.006 178.268 176.300 -0.062 0.000 1.139 492 R CA 2.329 58.368 56.100 -0.102 0.000 0.952 492 R CB -1.217 29.041 30.300 -0.070 0.000 0.854 492 R HN 0.507 nan 8.270 nan 0.000 0.436 493 A N 0.540 123.337 122.820 -0.038 0.000 1.933 493 A HA -0.107 4.214 4.320 0.001 0.000 0.218 493 A C 1.916 179.500 177.584 0.000 0.000 1.175 493 A CA 1.599 53.632 52.037 -0.007 0.000 0.628 493 A CB -0.435 18.573 19.000 0.014 0.000 0.814 493 A HN 0.397 nan 8.150 nan 0.000 0.444 494 E N -0.268 119.923 120.200 -0.015 0.000 2.152 494 E HA -0.120 4.230 4.350 0.001 0.000 0.192 494 E C 2.023 178.624 176.600 0.003 0.000 0.983 494 E CA 1.052 57.457 56.400 0.007 0.000 0.818 494 E CB -0.426 29.279 29.700 0.008 0.000 0.758 494 E HN 0.744 nan 8.360 nan 0.000 0.467 495 M N 0.601 120.183 119.600 -0.030 0.000 2.117 495 M HA -0.150 4.330 4.480 0.001 0.000 0.262 495 M C 1.982 178.310 176.300 0.046 0.000 1.065 495 M CA 1.269 56.582 55.300 0.021 0.000 1.114 495 M CB -0.169 32.430 32.600 -0.002 0.000 1.361 495 M HN -0.082 nan 8.290 nan 0.000 0.408 496 E N 0.667 120.882 120.200 0.025 0.000 2.110 496 E HA -0.119 4.232 4.350 0.001 0.000 0.193 496 E C 2.128 178.757 176.600 0.048 0.000 0.988 496 E CA 1.141 57.561 56.400 0.034 0.000 0.804 496 E CB -0.468 29.244 29.700 0.019 0.000 0.745 496 E HN 0.547 nan 8.360 nan 0.000 0.458 497 L N 0.245 121.497 121.223 0.049 0.000 1.989 497 L HA -0.156 4.185 4.340 0.001 0.000 0.211 497 L C 2.544 179.473 176.870 0.099 0.000 1.071 497 L CA 1.591 56.466 54.840 0.059 0.000 0.749 497 L CB -0.842 41.245 42.059 0.047 0.000 0.890 497 L HN 0.208 nan 8.230 nan 0.000 0.431 498 G N -0.412 108.461 108.800 0.121 0.000 2.443 498 G HA2 -0.169 3.792 3.960 0.001 0.000 0.219 498 G HA3 -0.169 3.792 3.960 0.001 0.000 0.219 498 G C 1.602 176.630 174.900 0.213 0.000 1.131 498 G CA 0.390 45.630 45.100 0.234 0.000 0.775 498 G HN 0.245 nan 8.290 nan 0.000 0.547 499 L N -0.532 120.750 121.223 0.099 0.000 2.240 499 L HA 0.186 4.527 4.340 0.001 0.000 0.211 499 L C 1.456 178.336 176.870 0.017 0.000 1.106 499 L CA 0.120 54.978 54.840 0.029 0.000 0.793 499 L CB 0.011 42.089 42.059 0.031 0.000 0.927 499 L HN 0.024 nan 8.230 nan 0.000 0.446 500 R N 0.252 120.785 120.500 0.056 0.000 2.357 500 R HA 0.063 4.404 4.340 0.001 0.000 0.296 500 R C 1.131 177.477 176.300 0.077 0.000 1.052 500 R CA -0.157 55.972 56.100 0.048 0.000 0.988 500 R CB 1.179 31.506 30.300 0.045 0.000 1.025 500 R HN -0.046 nan 8.270 nan 0.000 0.469 501 K N 2.354 122.783 120.400 0.048 0.000 2.020 501 K HA -0.329 3.991 4.320 0.001 0.000 0.212 501 K C 1.858 178.503 176.600 0.075 0.000 1.050 501 K CA 2.073 58.395 56.287 0.059 0.000 0.929 501 K CB 0.095 32.613 32.500 0.029 0.000 0.714 501 K HN 0.596 nan 8.250 nan 0.000 0.443 502 Q N -0.033 119.798 119.800 0.051 0.000 2.077 502 Q HA -0.181 4.160 4.340 0.001 0.000 0.206 502 Q C 1.443 177.472 176.000 0.048 0.000 0.989 502 Q CA 2.690 58.518 55.803 0.042 0.000 0.853 502 Q CB -0.157 28.599 28.738 0.030 0.000 0.907 502 Q HN 0.511 nan 8.270 nan 0.000 0.418 503 T N -3.105 111.485 114.554 0.060 0.000 3.069 503 T HA 0.027 4.378 4.350 0.001 0.000 0.252 503 T C 1.495 176.230 174.700 0.058 0.000 1.053 503 T CA 0.218 62.348 62.100 0.050 0.000 0.964 503 T CB -0.105 68.789 68.868 0.043 0.000 1.005 503 T HN 0.424 nan 8.240 nan 0.000 0.532 504 H N 2.216 121.297 119.070 0.018 0.000 2.319 504 H HA -0.086 4.471 4.556 0.001 0.000 0.299 504 H C 1.525 176.867 175.328 0.024 0.000 1.092 504 H CA 1.770 57.831 56.048 0.021 0.000 1.302 504 H CB -0.094 29.678 29.762 0.018 0.000 1.373 504 H HN 0.246 nan 8.280 nan 0.000 0.497 505 N N 0.906 119.486 118.700 -0.200 0.000 2.205 505 N HA -0.130 4.611 4.740 0.001 0.000 0.186 505 N C 0.846 176.248 175.510 -0.181 0.000 1.015 505 N CA 1.228 54.141 53.050 -0.230 0.000 0.862 505 N CB -0.393 38.059 38.487 -0.058 0.000 0.986 505 N HN 0.567 nan 8.380 nan 0.000 0.429 506 N N -0.363 118.271 118.700 -0.110 0.000 2.214 506 N HA 0.233 4.974 4.740 0.001 0.000 0.214 506 N C -0.414 175.063 175.510 -0.056 0.000 1.132 506 N CA -0.307 52.703 53.050 -0.068 0.000 0.856 506 N CB 0.686 39.153 38.487 -0.032 0.000 1.020 506 N HN 0.081 nan 8.380 nan 0.000 0.509 507 A N 0.722 123.491 122.820 -0.084 0.000 2.450 507 A HA 0.187 4.508 4.320 0.001 0.000 0.255 507 A C 1.504 179.080 177.584 -0.013 0.000 1.096 507 A CA -0.440 51.580 52.037 -0.028 0.000 0.778 507 A CB 0.246 19.243 19.000 -0.005 0.000 1.031 507 A HN 0.171 nan 8.150 nan 0.000 0.494 508 V N 1.884 121.818 119.914 0.033 0.000 2.719 508 V HA 0.019 4.139 4.120 0.001 0.000 0.252 508 V C 0.738 176.889 176.094 0.095 0.000 1.065 508 V CA 0.929 63.264 62.300 0.059 0.000 1.086 508 V CB -0.926 30.942 31.823 0.076 0.000 0.700 508 V HN 0.423 nan 8.190 nan 0.000 0.467 509 V N 1.743 121.720 119.914 0.105 0.000 2.320 509 V HA 0.295 4.415 4.120 0.001 0.000 0.265 509 V C 1.215 177.388 176.094 0.132 0.000 1.048 509 V CA -0.311 62.066 62.300 0.128 0.000 0.865 509 V CB 0.643 32.524 31.823 0.098 0.000 1.043 509 V HN 0.392 nan 8.190 nan 0.000 0.474 510 K N 3.694 124.182 120.400 0.147 0.000 2.288 510 K HA 0.092 4.413 4.320 0.001 0.000 0.201 510 K C 0.610 177.358 176.600 0.247 0.000 1.048 510 K CA 0.400 56.815 56.287 0.213 0.000 0.956 510 K CB -0.037 32.578 32.500 0.190 0.000 0.746 510 K HN 0.583 nan 8.250 nan 0.000 0.461 511 M N 0.685 120.376 119.600 0.151 0.000 2.350 511 M HA -0.196 4.285 4.480 0.001 0.000 0.190 511 M C -1.016 175.289 176.300 0.008 0.000 0.710 511 M CA 0.876 56.228 55.300 0.086 0.000 0.495 511 M CB -2.292 30.367 32.600 0.097 0.000 1.136 511 M HN 0.086 nan 8.290 nan 0.000 0.901 512 L N 1.749 122.982 121.223 0.016 0.000 2.305 512 L HA 0.393 4.733 4.340 0.001 0.000 0.281 512 L C -1.625 175.197 176.870 -0.081 0.000 1.085 512 L CA -1.797 53.034 54.840 -0.015 0.000 0.813 512 L CB 0.707 42.791 42.059 0.042 0.000 1.157 512 L HN 0.086 nan 8.230 nan 0.000 0.436 513 P HA 0.031 nan 4.420 nan 0.000 0.271 513 P C 0.159 177.388 177.300 -0.117 0.000 1.220 513 P CA -0.145 62.811 63.100 -0.240 0.000 0.768 513 P CB 0.960 32.421 31.700 -0.399 0.000 0.848 514 S N 2.298 117.910 115.700 -0.146 0.000 2.517 514 S HA 0.112 4.583 4.470 0.001 0.000 0.214 514 S C 0.773 175.456 174.600 0.139 0.000 0.991 514 S CA -0.167 58.039 58.200 0.010 0.000 0.906 514 S CB -0.878 62.295 63.200 -0.044 0.000 0.789 514 S HN 0.331 nan 8.310 nan 0.000 0.513 515 F N 0.211 120.128 119.950 -0.056 0.000 3.006 515 F HA -0.171 4.357 4.527 0.001 0.000 0.289 515 F C -0.133 175.641 175.800 -0.043 0.000 0.772 515 F CA 0.323 58.296 58.000 -0.045 0.000 1.162 515 F CB -2.027 36.953 39.000 -0.033 0.000 1.382 515 F HN 0.126 nan 8.300 nan 0.000 0.406 516 V N 1.016 120.933 119.914 0.005 0.000 2.348 516 V HA 0.250 4.370 4.120 0.001 0.000 0.270 516 V C 1.111 177.171 176.094 -0.057 0.000 1.037 516 V CA -0.176 62.117 62.300 -0.012 0.000 0.872 516 V CB 1.506 33.313 31.823 -0.026 0.000 1.002 516 V HN 0.207 nan 8.190 nan 0.000 0.464 517 R N 3.690 124.168 120.500 -0.037 0.000 2.362 517 R HA 0.289 4.629 4.340 0.001 0.000 0.227 517 R C 0.511 176.783 176.300 -0.046 0.000 0.905 517 R CA -0.024 56.042 56.100 -0.057 0.000 1.067 517 R CB 0.436 30.714 30.300 -0.038 0.000 1.078 517 R HN 0.785 nan 8.270 nan 0.000 0.516 518 R N -0.830 119.650 120.500 -0.034 0.000 2.692 518 R HA 0.292 4.632 4.340 0.001 0.000 0.269 518 R C -0.747 175.539 176.300 -0.022 0.000 1.030 518 R CA -0.833 55.250 56.100 -0.028 0.000 0.882 518 R CB 0.697 30.987 30.300 -0.017 0.000 1.250 518 R HN -0.114 nan 8.270 nan 0.000 0.465 519 T N -1.246 113.297 114.554 -0.019 0.000 2.732 519 T HA 0.385 4.735 4.350 0.001 0.000 0.287 519 T C -2.185 172.517 174.700 0.003 0.000 0.993 519 T CA -1.523 60.572 62.100 -0.009 0.000 0.966 519 T CB 0.318 69.179 68.868 -0.011 0.000 1.047 519 T HN 0.394 nan 8.240 nan 0.000 0.527 520 P HA 0.192 nan 4.420 nan 0.000 0.271 520 P C 0.031 177.341 177.300 0.017 0.000 1.220 520 P CA -0.097 63.029 63.100 0.042 0.000 0.768 520 P CB 0.331 32.099 31.700 0.113 0.000 0.848 521 D N 1.711 122.121 120.400 0.016 0.000 2.349 521 D HA 0.107 4.747 4.640 0.001 0.000 0.214 521 D C 1.322 177.620 176.300 -0.004 0.000 1.063 521 D CA 0.270 54.270 54.000 0.001 0.000 0.847 521 D CB -0.428 40.375 40.800 0.004 0.000 0.933 521 D HN 0.534 nan 8.370 nan 0.000 0.513 522 G N 0.083 108.887 108.800 0.007 0.000 2.195 522 G HA2 -0.335 3.626 3.960 0.001 0.000 0.246 522 G HA3 -0.335 3.626 3.960 0.001 0.000 0.246 522 G C 1.151 176.072 174.900 0.035 0.000 0.984 522 G CA 0.778 45.877 45.100 -0.002 0.000 0.633 522 G HN 0.627 nan 8.290 nan 0.000 0.525 523 T N -1.268 113.312 114.554 0.044 0.000 3.060 523 T HA 0.410 4.760 4.350 0.001 0.000 0.249 523 T C 0.728 175.474 174.700 0.077 0.000 1.079 523 T CA 0.842 62.974 62.100 0.053 0.000 1.013 523 T CB 0.398 69.290 68.868 0.040 0.000 0.975 523 T HN 0.382 nan 8.240 nan 0.000 0.518 524 E N 3.027 123.282 120.200 0.091 0.000 2.442 524 E HA 0.399 4.750 4.350 0.001 0.000 0.262 524 E C -0.029 176.663 176.600 0.153 0.000 1.004 524 E CA 0.366 56.833 56.400 0.112 0.000 0.928 524 E CB 0.191 29.943 29.700 0.087 0.000 0.937 524 E HN 0.879 nan 8.360 nan 0.000 0.446 525 N N 0.094 118.917 118.700 0.206 0.000 2.815 525 N HA 0.690 5.431 4.740 0.001 0.000 0.253 525 N C -0.614 175.050 175.510 0.257 0.000 1.202 525 N CA -0.520 52.655 53.050 0.209 0.000 0.925 525 N CB 1.599 40.160 38.487 0.124 0.000 1.622 525 N HN 0.634 nan 8.380 nan 0.000 0.497 526 G N 0.119 109.016 108.800 0.163 0.000 2.369 526 G HA2 0.254 4.214 3.960 0.001 0.000 0.293 526 G HA3 0.254 4.214 3.960 0.001 0.000 0.293 526 G C -2.391 172.264 174.900 -0.409 0.000 1.301 526 G CA -0.881 44.113 45.100 -0.178 0.000 0.913 526 G HN 0.675 nan 8.290 nan 0.000 0.540 527 D N -0.044 119.924 120.400 -0.720 0.000 2.375 527 D HA 0.745 5.385 4.640 0.001 0.000 0.247 527 D C -0.832 174.968 176.300 -0.833 0.000 1.061 527 D CA 0.193 53.901 54.000 -0.487 0.000 0.834 527 D CB 1.431 42.093 40.800 -0.229 0.000 1.247 527 D HN 0.255 nan 8.370 nan 0.000 0.489 528 F N 0.575 120.554 119.950 0.048 0.000 2.576 528 F HA 0.458 4.986 4.527 0.001 0.000 0.313 528 F C 0.035 175.872 175.800 0.061 0.000 1.078 528 F CA -0.988 57.041 58.000 0.049 0.000 0.921 528 F CB 1.518 40.541 39.000 0.039 0.000 1.232 528 F HN -0.050 nan 8.300 nan 0.000 0.459 529 L N 2.069 123.429 121.223 0.228 0.000 2.375 529 L HA 0.915 5.256 4.340 0.001 0.000 0.268 529 L C -0.237 176.715 176.870 0.137 0.000 1.058 529 L CA -0.795 54.138 54.840 0.154 0.000 0.803 529 L CB 1.672 43.795 42.059 0.106 0.000 1.212 529 L HN 0.806 nan 8.230 nan 0.000 0.451 530 A N 2.190 125.043 122.820 0.055 0.000 2.606 530 A HA 0.814 5.134 4.320 0.001 0.000 0.293 530 A C -1.450 176.139 177.584 0.008 0.000 1.082 530 A CA -0.522 51.551 52.037 0.059 0.000 0.685 530 A CB 1.529 20.563 19.000 0.056 0.000 1.284 530 A HN 0.556 nan 8.150 nan 0.000 0.408 531 L N 0.803 122.091 121.223 0.109 0.000 2.342 531 L HA 0.616 4.956 4.340 0.001 0.000 0.271 531 L C -1.089 175.954 176.870 0.288 0.000 1.008 531 L CA -0.740 54.200 54.840 0.167 0.000 0.818 531 L CB 2.172 44.371 42.059 0.234 0.000 1.296 531 L HN 0.725 nan 8.230 nan 0.000 0.427 532 D N 2.958 123.525 120.400 0.279 0.000 2.389 532 D HA 0.430 5.070 4.640 0.001 0.000 0.256 532 D C -1.630 174.936 176.300 0.443 0.000 1.239 532 D CA -0.227 53.932 54.000 0.265 0.000 0.925 532 D CB 1.408 42.273 40.800 0.109 0.000 1.145 532 D HN 0.185 nan 8.370 nan 0.000 0.542 533 L N 3.029 124.538 121.223 0.477 0.000 2.356 533 L HA 0.811 5.152 4.340 0.001 0.000 0.277 533 L C 0.901 177.856 176.870 0.141 0.000 0.996 533 L CA 0.359 55.468 54.840 0.448 0.000 0.822 533 L CB 1.756 44.139 42.059 0.540 0.000 1.256 533 L HN 0.545 nan 8.230 nan 0.000 0.413 534 G N 2.427 111.264 108.800 0.061 0.000 2.551 534 G HA2 -0.067 3.894 3.960 0.001 0.000 0.186 534 G HA3 -0.067 3.894 3.960 0.001 0.000 0.186 534 G C 0.338 175.169 174.900 -0.114 0.000 1.002 534 G CA -0.088 44.850 45.100 -0.270 0.000 0.723 534 G HN 1.111 nan 8.290 nan 0.000 0.481 535 G N -0.040 108.762 108.800 0.003 0.000 2.574 535 G HA2 0.506 4.467 3.960 0.001 0.000 0.248 535 G HA3 0.506 4.467 3.960 0.001 0.000 0.248 535 G C 1.469 176.428 174.900 0.099 0.000 1.422 535 G CA 1.393 46.506 45.100 0.021 0.000 1.051 535 G HN 0.896 nan 8.290 nan 0.000 0.560 536 T N -1.260 113.335 114.554 0.067 0.000 2.746 536 T HA -0.045 4.305 4.350 0.001 0.000 0.267 536 T C 0.778 175.542 174.700 0.106 0.000 1.039 536 T CA 0.805 62.949 62.100 0.073 0.000 1.142 536 T CB -0.144 68.744 68.868 0.033 0.000 0.866 536 T HN 0.247 nan 8.240 nan 0.000 0.444 537 N N 1.236 120.000 118.700 0.107 0.000 2.392 537 N HA 0.397 5.137 4.740 0.001 0.000 0.283 537 N C -1.633 174.009 175.510 0.220 0.000 1.003 537 N CA -0.652 52.476 53.050 0.130 0.000 0.892 537 N CB 1.554 40.072 38.487 0.052 0.000 1.193 537 N HN 0.242 nan 8.380 nan 0.000 0.487 538 F N 3.054 123.085 119.950 0.135 0.000 2.467 538 F HA 0.341 4.869 4.527 0.001 0.000 0.362 538 F C 0.077 175.969 175.800 0.153 0.000 1.090 538 F CA -0.357 57.745 58.000 0.170 0.000 1.202 538 F CB 0.362 39.497 39.000 0.225 0.000 1.113 538 F HN 0.302 nan 8.300 nan 0.000 0.541 539 R N 3.923 124.175 120.500 -0.413 0.000 2.795 539 R HA 0.736 5.076 4.340 0.001 0.000 0.275 539 R C -1.618 174.314 176.300 -0.613 0.000 0.981 539 R CA -1.182 54.637 56.100 -0.468 0.000 0.917 539 R CB 2.465 32.638 30.300 -0.212 0.000 1.202 539 R HN 0.459 nan 8.270 nan 0.000 0.469 540 V N 3.420 123.012 119.914 -0.537 0.000 2.555 540 V HA 0.553 4.673 4.120 0.001 0.000 0.302 540 V C -0.736 174.835 176.094 -0.873 0.000 1.038 540 V CA -0.782 61.124 62.300 -0.656 0.000 0.887 540 V CB 1.615 33.011 31.823 -0.710 0.000 0.991 540 V HN 0.472 nan 8.190 nan 0.000 0.434 541 L N 4.384 125.220 121.223 -0.646 0.000 2.350 541 L HA 0.632 4.973 4.340 0.001 0.000 0.260 541 L C -0.743 176.094 176.870 -0.055 0.000 1.015 541 L CA -0.423 54.214 54.840 -0.339 0.000 0.821 541 L CB 2.122 44.124 42.059 -0.095 0.000 1.370 541 L HN 0.459 nan 8.230 nan 0.000 0.416 542 L N 2.325 123.711 121.223 0.272 0.000 2.349 542 L HA 0.758 5.099 4.340 0.001 0.000 0.278 542 L C -1.571 175.447 176.870 0.248 0.000 0.996 542 L CA -0.588 54.453 54.840 0.335 0.000 0.825 542 L CB 1.796 44.115 42.059 0.434 0.000 1.243 542 L HN 0.401 nan 8.230 nan 0.000 0.412 543 V N 5.191 125.229 119.914 0.207 0.000 2.487 543 V HA 0.453 4.573 4.120 0.001 0.000 0.298 543 V C -0.428 175.784 176.094 0.197 0.000 1.028 543 V CA -0.793 61.611 62.300 0.174 0.000 0.860 543 V CB 2.102 34.014 31.823 0.148 0.000 0.991 543 V HN 0.674 nan 8.190 nan 0.000 0.427 544 K N 5.687 126.169 120.400 0.138 0.000 2.358 544 K HA 0.698 5.019 4.320 0.001 0.000 0.260 544 K C -1.235 175.430 176.600 0.108 0.000 0.956 544 K CA -0.465 55.890 56.287 0.112 0.000 0.834 544 K CB 2.296 34.842 32.500 0.077 0.000 1.102 544 K HN 0.522 nan 8.250 nan 0.000 0.431 545 I N 3.233 123.896 120.570 0.155 0.000 2.433 545 I HA 0.421 4.592 4.170 0.001 0.000 0.292 545 I C -0.225 175.970 176.117 0.129 0.000 1.001 545 I CA -1.000 60.382 61.300 0.137 0.000 1.119 545 I CB 1.363 39.469 38.000 0.177 0.000 1.289 545 I HN 0.285 nan 8.210 nan 0.000 0.438 546 R N 3.940 124.508 120.500 0.113 0.000 2.532 546 R HA 0.521 4.862 4.340 0.001 0.000 0.297 546 R C -0.682 175.684 176.300 0.109 0.000 0.984 546 R CA -0.615 55.542 56.100 0.096 0.000 0.884 546 R CB 2.122 32.464 30.300 0.069 0.000 1.182 546 R HN 0.822 nan 8.270 nan 0.000 0.442 547 S N 0.046 115.803 115.700 0.095 0.000 2.748 547 S HA 0.924 5.394 4.470 0.001 0.000 0.299 547 S C 0.651 175.284 174.600 0.055 0.000 1.119 547 S CA 0.046 58.296 58.200 0.084 0.000 0.997 547 S CB 2.021 65.270 63.200 0.081 0.000 1.223 547 S HN 0.931 nan 8.310 nan 0.000 0.541 548 G N 0.614 109.437 108.800 0.039 0.000 2.418 548 G HA2 -0.148 3.813 3.960 0.001 0.000 0.206 548 G HA3 -0.148 3.813 3.960 0.001 0.000 0.206 548 G C 0.310 175.221 174.900 0.019 0.000 1.202 548 G CA 0.034 45.150 45.100 0.027 0.000 1.061 548 G HN 0.716 nan 8.290 nan 0.000 0.563 549 K N 0.455 120.865 120.400 0.017 0.000 1.988 549 K HA -0.141 4.179 4.320 0.001 0.000 0.221 549 K C 0.577 177.185 176.600 0.014 0.000 1.053 549 K CA 2.033 58.327 56.287 0.012 0.000 0.959 549 K CB -0.264 32.244 32.500 0.012 0.000 0.728 549 K HN 0.419 nan 8.250 nan 0.000 0.447 550 K N 1.584 121.997 120.400 0.021 0.000 2.527 550 K HA 0.168 4.489 4.320 0.001 0.000 0.240 550 K C -1.136 175.491 176.600 0.043 0.000 0.989 550 K CA -0.457 55.846 56.287 0.026 0.000 0.985 550 K CB 1.552 34.067 32.500 0.024 0.000 1.221 550 K HN 0.180 nan 8.250 nan 0.000 0.458 551 R N 0.847 121.378 120.500 0.052 0.000 2.623 551 R HA 0.184 4.525 4.340 0.001 0.000 0.271 551 R C -0.277 176.097 176.300 0.123 0.000 1.043 551 R CA -0.063 56.095 56.100 0.096 0.000 1.083 551 R CB -0.057 30.305 30.300 0.104 0.000 0.974 551 R HN 0.551 nan 8.270 nan 0.000 0.436 552 T N -1.608 113.025 114.554 0.131 0.000 2.896 552 T HA 0.561 4.912 4.350 0.001 0.000 0.297 552 T C -0.726 174.027 174.700 0.089 0.000 1.108 552 T CA -0.966 61.197 62.100 0.106 0.000 1.004 552 T CB 1.944 70.851 68.868 0.065 0.000 1.159 552 T HN 0.350 nan 8.240 nan 0.000 0.499 553 V N 1.381 121.317 119.914 0.037 0.000 2.577 553 V HA 0.629 4.749 4.120 0.001 0.000 0.303 553 V C -0.527 175.554 176.094 -0.022 0.000 1.042 553 V CA -0.689 61.594 62.300 -0.029 0.000 0.872 553 V CB 1.537 33.261 31.823 -0.165 0.000 0.998 553 V HN 1.078 nan 8.190 nan 0.000 0.423 554 E N 5.262 125.458 120.200 -0.006 0.000 2.210 554 E HA 0.734 5.085 4.350 0.001 0.000 0.266 554 E C -1.476 175.093 176.600 -0.051 0.000 0.883 554 E CA -0.697 55.683 56.400 -0.032 0.000 0.761 554 E CB 1.807 31.522 29.700 0.025 0.000 1.156 554 E HN 0.681 nan 8.360 nan 0.000 0.412 555 M N 3.431 122.930 119.600 -0.168 0.000 2.464 555 M HA 0.429 4.910 4.480 0.001 0.000 0.308 555 M C -0.959 175.125 176.300 -0.359 0.000 1.127 555 M CA -0.740 54.480 55.300 -0.133 0.000 0.913 555 M CB 2.336 34.890 32.600 -0.078 0.000 1.689 555 M HN 0.465 nan 8.290 nan 0.000 0.445 556 H N 1.404 120.546 119.070 0.121 0.000 2.768 556 H HA 0.645 5.202 4.556 0.001 0.000 0.371 556 H C -1.368 174.113 175.328 0.254 0.000 1.151 556 H CA -0.907 55.253 56.048 0.185 0.000 1.165 556 H CB 2.222 32.109 29.762 0.208 0.000 1.722 556 H HN 0.807 nan 8.280 nan 0.000 0.543 557 N N 0.296 119.218 118.700 0.371 0.000 2.708 557 N HA 0.334 5.074 4.740 0.001 0.000 0.257 557 N C -1.728 173.910 175.510 0.213 0.000 1.373 557 N CA -0.980 52.185 53.050 0.192 0.000 0.843 557 N CB 2.913 41.398 38.487 -0.004 0.000 1.503 557 N HN 0.433 nan 8.380 nan 0.000 0.504 558 K N 1.013 121.409 120.400 -0.006 0.000 2.427 558 K HA 0.533 4.854 4.320 0.001 0.000 0.252 558 K C -1.334 174.988 176.600 -0.462 0.000 0.931 558 K CA -0.768 55.369 56.287 -0.251 0.000 0.793 558 K CB 1.467 33.744 32.500 -0.371 0.000 1.211 558 K HN 0.617 nan 8.250 nan 0.000 0.426 559 I N 3.987 124.277 120.570 -0.466 0.000 2.428 559 I HA 0.235 4.405 4.170 0.001 0.000 0.289 559 I C -0.850 174.922 176.117 -0.575 0.000 1.019 559 I CA -0.547 60.528 61.300 -0.374 0.000 1.351 559 I CB 0.619 38.510 38.000 -0.182 0.000 1.412 559 I HN 0.525 nan 8.210 nan 0.000 0.513 560 Y N 3.861 124.114 120.300 -0.078 0.000 2.425 560 Y HA 0.618 5.169 4.550 0.001 0.000 0.344 560 Y C 0.379 176.402 175.900 0.205 0.000 0.969 560 Y CA -0.930 57.202 58.100 0.053 0.000 1.052 560 Y CB 1.778 40.276 38.460 0.064 0.000 1.215 560 Y HN 0.586 nan 8.280 nan 0.000 0.451 561 A N 3.710 126.721 122.820 0.317 0.000 2.351 561 A HA 0.686 5.006 4.320 0.001 0.000 0.257 561 A C -0.554 177.227 177.584 0.328 0.000 1.087 561 A CA -0.299 51.887 52.037 0.249 0.000 0.798 561 A CB 0.093 19.175 19.000 0.136 0.000 1.033 561 A HN 0.750 nan 8.150 nan 0.000 0.488 562 I N 2.986 123.659 120.570 0.173 0.000 2.493 562 I HA 0.247 4.418 4.170 0.001 0.000 0.279 562 I C -2.312 173.732 176.117 -0.121 0.000 1.045 562 I CA -1.800 59.511 61.300 0.018 0.000 1.106 562 I CB 1.665 39.676 38.000 0.018 0.000 1.216 562 I HN 0.440 nan 8.210 nan 0.000 0.459 563 P HA 0.044 nan 4.420 nan 0.000 0.267 563 P C 0.907 178.077 177.300 -0.216 0.000 1.200 563 P CA -0.190 62.814 63.100 -0.159 0.000 0.772 563 P CB 1.254 32.858 31.700 -0.159 0.000 0.855 564 I N 1.966 122.422 120.570 -0.190 0.000 2.454 564 I HA -0.252 3.918 4.170 0.001 0.000 0.254 564 I C 1.530 177.508 176.117 -0.231 0.000 1.156 564 I CA 1.725 62.885 61.300 -0.233 0.000 1.433 564 I CB -0.474 37.423 38.000 -0.172 0.000 1.082 564 I HN 0.312 nan 8.210 nan 0.000 0.432 565 E N 0.159 120.251 120.200 -0.181 0.000 2.204 565 E HA -0.116 4.234 4.350 0.001 0.000 0.194 565 E C 2.148 178.636 176.600 -0.187 0.000 0.989 565 E CA 1.284 57.589 56.400 -0.159 0.000 0.824 565 E CB -0.188 29.441 29.700 -0.118 0.000 0.756 565 E HN 0.536 nan 8.360 nan 0.000 0.477 566 I N -0.199 120.230 120.570 -0.236 0.000 2.867 566 I HA -0.057 4.114 4.170 0.001 0.000 0.265 566 I C 1.832 177.771 176.117 -0.298 0.000 1.162 566 I CA 0.515 61.669 61.300 -0.243 0.000 1.471 566 I CB -0.097 37.715 38.000 -0.312 0.000 1.123 566 I HN 0.142 nan 8.210 nan 0.000 0.440 567 M N 0.047 119.391 119.600 -0.427 0.000 2.296 567 M HA -0.182 4.299 4.480 0.001 0.000 0.265 567 M C 1.137 177.074 176.300 -0.605 0.000 1.064 567 M CA 1.727 56.596 55.300 -0.718 0.000 1.109 567 M CB -0.136 31.811 32.600 -1.087 0.000 1.396 567 M HN 0.228 nan 8.290 nan 0.000 0.430 568 Q N -0.611 118.953 119.800 -0.393 0.000 2.135 568 Q HA 0.269 4.610 4.340 0.001 0.000 0.231 568 Q C 0.813 176.706 176.000 -0.178 0.000 0.817 568 Q CA -0.444 55.181 55.803 -0.297 0.000 1.073 568 Q CB 0.970 29.564 28.738 -0.240 0.000 1.176 568 Q HN 0.446 nan 8.270 nan 0.000 0.478 569 G N 1.104 109.813 108.800 -0.151 0.000 3.329 569 G HA2 0.225 4.186 3.960 0.001 0.000 0.180 569 G HA3 0.225 4.186 3.960 0.001 0.000 0.180 569 G C 0.173 175.057 174.900 -0.027 0.000 1.640 569 G CA 0.112 45.164 45.100 -0.080 0.000 1.018 569 G HN 0.233 nan 8.290 nan 0.000 0.581 570 T N -2.629 111.927 114.554 0.004 0.000 2.934 570 T HA 0.508 4.858 4.350 0.001 0.000 0.283 570 T C 1.540 176.298 174.700 0.098 0.000 1.005 570 T CA 0.411 62.538 62.100 0.045 0.000 1.041 570 T CB 1.444 70.336 68.868 0.040 0.000 1.042 570 T HN 0.608 nan 8.240 nan 0.000 0.505 571 G N -0.028 108.852 108.800 0.134 0.000 2.418 571 G HA2 -0.188 3.772 3.960 0.001 0.000 0.217 571 G HA3 -0.188 3.772 3.960 0.001 0.000 0.217 571 G C 1.212 176.280 174.900 0.279 0.000 1.158 571 G CA 0.953 46.205 45.100 0.253 0.000 0.771 571 G HN 0.932 nan 8.290 nan 0.000 0.545 572 E N 0.544 120.830 120.200 0.143 0.000 2.097 572 E HA -0.180 4.171 4.350 0.001 0.000 0.196 572 E C 2.278 178.965 176.600 0.144 0.000 1.000 572 E CA 1.580 58.058 56.400 0.130 0.000 0.804 572 E CB -0.162 29.580 29.700 0.069 0.000 0.740 572 E HN 0.625 nan 8.360 nan 0.000 0.454 573 E N -0.126 120.136 120.200 0.103 0.000 2.072 573 E HA -0.184 4.166 4.350 0.001 0.000 0.191 573 E C 2.108 178.755 176.600 0.077 0.000 0.985 573 E CA 0.981 57.424 56.400 0.072 0.000 0.801 573 E CB -0.119 29.594 29.700 0.021 0.000 0.750 573 E HN 0.249 nan 8.360 nan 0.000 0.452 574 L N 0.049 121.318 121.223 0.077 0.000 2.027 574 L HA -0.112 4.229 4.340 0.001 0.000 0.206 574 L C 1.856 178.677 176.870 -0.081 0.000 1.074 574 L CA 1.697 56.524 54.840 -0.021 0.000 0.745 574 L CB -0.417 41.624 42.059 -0.029 0.000 0.898 574 L HN 0.008 nan 8.230 nan 0.000 0.433 575 F N -0.019 119.977 119.950 0.077 0.000 2.259 575 F HA -0.123 4.405 4.527 0.001 0.000 0.298 575 F C 2.241 178.066 175.800 0.040 0.000 1.088 575 F CA 1.183 59.212 58.000 0.049 0.000 1.358 575 F CB -0.542 38.480 39.000 0.037 0.000 1.040 575 F HN 0.154 nan 8.300 nan 0.000 0.505 576 D N -0.948 119.567 120.400 0.192 0.000 2.104 576 D HA -0.229 4.412 4.640 0.001 0.000 0.194 576 D C 2.026 178.388 176.300 0.105 0.000 0.994 576 D CA 1.570 55.646 54.000 0.125 0.000 0.830 576 D CB -0.551 40.312 40.800 0.105 0.000 0.959 576 D HN 0.308 nan 8.370 nan 0.000 0.452 577 H N 0.407 119.479 119.070 0.003 0.000 2.319 577 H HA -0.028 4.529 4.556 0.001 0.000 0.299 577 H C 2.154 177.467 175.328 -0.026 0.000 1.092 577 H CA 1.349 57.386 56.048 -0.018 0.000 1.302 577 H CB -0.391 29.340 29.762 -0.052 0.000 1.373 577 H HN 0.088 nan 8.280 nan 0.000 0.497 578 I N -0.716 119.782 120.570 -0.121 0.000 2.208 578 I HA -0.261 3.909 4.170 0.001 0.000 0.245 578 I C 2.303 178.405 176.117 -0.026 0.000 1.097 578 I CA 1.093 62.308 61.300 -0.142 0.000 1.363 578 I CB -0.197 37.656 38.000 -0.246 0.000 1.051 578 I HN 0.174 nan 8.210 nan 0.000 0.413 579 V N 0.007 119.946 119.914 0.041 0.000 2.427 579 V HA -0.240 3.881 4.120 0.001 0.000 0.248 579 V C 2.483 178.651 176.094 0.122 0.000 1.051 579 V CA 2.008 64.401 62.300 0.156 0.000 1.048 579 V CB -0.386 31.535 31.823 0.163 0.000 0.666 579 V HN 0.386 nan 8.190 nan 0.000 0.456 580 S N -0.677 115.029 115.700 0.011 0.000 2.370 580 S HA -0.245 4.225 4.470 0.001 0.000 0.226 580 S C 2.051 176.561 174.600 -0.151 0.000 1.033 580 S CA 1.840 60.023 58.200 -0.029 0.000 1.011 580 S CB -0.574 62.605 63.200 -0.036 0.000 0.852 580 S HN 0.687 nan 8.310 nan 0.000 0.457 581 C N 1.427 120.512 119.300 -0.358 0.000 2.429 581 C HA 0.003 4.463 4.460 0.001 0.000 0.277 581 C C 2.436 177.104 174.990 -0.538 0.000 1.262 581 C CA 0.184 58.749 59.018 -0.755 0.000 1.733 581 C CB -1.457 25.590 27.740 -1.156 0.000 2.010 581 C HN 0.539 nan 8.230 nan 0.000 0.483 582 I N 0.959 121.369 120.570 -0.267 0.000 2.179 582 I HA -0.210 3.960 4.170 0.001 0.000 0.242 582 I C 2.760 178.725 176.117 -0.253 0.000 1.088 582 I CA 1.800 62.971 61.300 -0.215 0.000 1.357 582 I CB -0.600 37.274 38.000 -0.211 0.000 1.051 582 I HN 0.315 nan 8.210 nan 0.000 0.409 583 S N 0.637 116.232 115.700 -0.174 0.000 2.365 583 S HA -0.338 4.132 4.470 0.001 0.000 0.225 583 S C 1.822 176.403 174.600 -0.032 0.000 1.039 583 S CA 2.436 60.587 58.200 -0.080 0.000 1.033 583 S CB -0.462 62.824 63.200 0.143 0.000 0.887 583 S HN 0.566 nan 8.310 nan 0.000 0.447 584 D N -0.800 119.600 120.400 -0.001 0.000 2.104 584 D HA -0.165 4.475 4.640 0.001 0.000 0.194 584 D C 1.752 178.150 176.300 0.164 0.000 0.994 584 D CA 1.496 55.545 54.000 0.083 0.000 0.830 584 D CB -0.375 40.498 40.800 0.121 0.000 0.959 584 D HN 0.489 nan 8.370 nan 0.000 0.452 585 F N 0.636 120.617 119.950 0.051 0.000 2.186 585 F HA -0.002 4.526 4.527 0.001 0.000 0.299 585 F C 1.803 177.648 175.800 0.075 0.000 1.090 585 F CA 1.053 59.143 58.000 0.149 0.000 1.307 585 F CB -0.174 38.876 39.000 0.083 0.000 1.019 585 F HN 0.019 nan 8.300 nan 0.000 0.489 586 L N -0.158 121.045 121.223 -0.034 0.000 2.083 586 L HA -0.206 4.135 4.340 0.001 0.000 0.209 586 L C 2.080 178.855 176.870 -0.158 0.000 1.083 586 L CA 1.891 56.637 54.840 -0.157 0.000 0.752 586 L CB -0.812 41.139 42.059 -0.179 0.000 0.899 586 L HN 0.162 nan 8.230 nan 0.000 0.433 587 D N -0.799 119.555 120.400 -0.077 0.000 2.123 587 D HA -0.267 4.373 4.640 0.001 0.000 0.200 587 D C 2.117 178.380 176.300 -0.061 0.000 0.976 587 D CA 0.801 54.772 54.000 -0.048 0.000 0.831 587 D CB -0.031 40.774 40.800 0.008 0.000 0.974 587 D HN 0.280 nan 8.370 nan 0.000 0.469 588 Y N 0.123 120.308 120.300 -0.193 0.000 2.224 588 Y HA -0.107 4.444 4.550 0.001 0.000 0.289 588 Y C 1.632 177.333 175.900 -0.332 0.000 1.146 588 Y CA 1.327 59.295 58.100 -0.220 0.000 1.182 588 Y CB -0.047 38.304 38.460 -0.181 0.000 0.983 588 Y HN 0.027 nan 8.280 nan 0.000 0.524 589 M N -0.624 118.634 119.600 -0.570 0.000 2.510 589 M HA 0.270 4.751 4.480 0.001 0.000 0.256 589 M C 1.619 177.678 176.300 -0.402 0.000 1.132 589 M CA 0.968 55.882 55.300 -0.643 0.000 1.105 589 M CB -1.006 31.125 32.600 -0.783 0.000 1.375 589 M HN 0.445 nan 8.290 nan 0.000 0.477 590 G N 1.951 110.580 108.800 -0.286 0.000 2.160 590 G HA2 -0.228 3.733 3.960 0.001 0.000 0.244 590 G HA3 -0.228 3.733 3.960 0.001 0.000 0.244 590 G C 0.046 174.851 174.900 -0.159 0.000 1.022 590 G CA -0.194 44.791 45.100 -0.192 0.000 0.741 590 G HN 0.458 nan 8.290 nan 0.000 0.508 591 I N 0.980 121.450 120.570 -0.166 0.000 2.396 591 I HA 0.437 4.608 4.170 0.001 0.000 0.289 591 I C 0.770 176.841 176.117 -0.077 0.000 1.056 591 I CA 0.142 61.371 61.300 -0.119 0.000 1.365 591 I CB 0.831 38.764 38.000 -0.112 0.000 1.407 591 I HN 0.422 nan 8.210 nan 0.000 0.509 592 K N 4.580 124.946 120.400 -0.057 0.000 2.469 592 K HA 0.929 5.250 4.320 0.001 0.000 0.268 592 K C -0.287 176.300 176.600 -0.023 0.000 1.027 592 K CA -0.796 55.472 56.287 -0.031 0.000 0.893 592 K CB 2.106 34.587 32.500 -0.033 0.000 1.460 592 K HN 0.724 nan 8.250 nan 0.000 0.449 593 G N 0.389 109.184 108.800 -0.009 0.000 2.631 593 G HA2 -0.050 3.910 3.960 0.001 0.000 0.504 593 G HA3 -0.050 3.910 3.960 0.001 0.000 0.504 593 G C -2.584 172.318 174.900 0.004 0.000 1.306 593 G CA -0.763 44.332 45.100 -0.008 0.000 0.897 593 G HN 0.639 nan 8.290 nan 0.000 0.520 594 P HA 0.347 nan 4.420 nan 0.000 0.267 594 P C 0.609 177.920 177.300 0.019 0.000 1.195 594 P CA 0.075 63.181 63.100 0.010 0.000 0.773 594 P CB 0.184 31.885 31.700 0.001 0.000 0.837 595 R N 2.164 122.685 120.500 0.035 0.000 2.570 595 R HA 0.247 4.588 4.340 0.001 0.000 0.277 595 R C -0.245 176.078 176.300 0.040 0.000 1.039 595 R CA 0.032 56.166 56.100 0.056 0.000 1.065 595 R CB -0.054 30.288 30.300 0.070 0.000 0.964 595 R HN 0.387 nan 8.270 nan 0.000 0.428 596 M N 3.891 123.518 119.600 0.046 0.000 2.409 596 M HA 0.367 4.847 4.480 0.001 0.000 0.329 596 M C -1.981 174.360 176.300 0.069 0.000 1.180 596 M CA -2.334 52.982 55.300 0.027 0.000 1.053 596 M CB 1.887 34.497 32.600 0.016 0.000 1.586 596 M HN 0.540 nan 8.290 nan 0.000 0.461 597 P HA 0.260 nan 4.420 nan 0.000 0.275 597 P C -1.502 175.927 177.300 0.215 0.000 1.227 597 P CA -0.225 62.976 63.100 0.168 0.000 0.781 597 P CB 0.833 32.684 31.700 0.252 0.000 0.906 598 L N 1.937 123.272 121.223 0.187 0.000 2.408 598 L HA 0.783 5.123 4.340 0.001 0.000 0.268 598 L C -0.370 176.599 176.870 0.164 0.000 0.986 598 L CA -0.486 54.456 54.840 0.171 0.000 0.820 598 L CB 2.032 44.165 42.059 0.123 0.000 1.303 598 L HN 0.483 nan 8.230 nan 0.000 0.411 599 G N 3.413 112.307 108.800 0.157 0.000 2.416 599 G HA2 0.384 4.345 3.960 0.001 0.000 0.324 599 G HA3 0.384 4.345 3.960 0.001 0.000 0.324 599 G C -1.600 173.449 174.900 0.248 0.000 1.194 599 G CA -0.412 44.783 45.100 0.158 0.000 0.922 599 G HN 0.589 nan 8.290 nan 0.000 0.467 600 F N 3.286 123.295 119.950 0.097 0.000 2.308 600 F HA 0.326 4.854 4.527 0.001 0.000 0.370 600 F C 0.141 176.040 175.800 0.165 0.000 1.100 600 F CA -0.859 57.226 58.000 0.141 0.000 1.108 600 F CB 1.076 40.159 39.000 0.140 0.000 1.293 600 F HN 0.274 nan 8.300 nan 0.000 0.478 601 T N 7.169 121.973 114.554 0.416 0.000 2.738 601 T HA 0.134 4.485 4.350 0.001 0.000 0.293 601 T C -0.878 173.960 174.700 0.230 0.000 0.913 601 T CA 0.303 62.528 62.100 0.209 0.000 1.103 601 T CB 0.060 69.016 68.868 0.146 0.000 0.880 601 T HN 0.502 nan 8.240 nan 0.000 0.526 602 F N 3.874 123.718 119.950 -0.176 0.000 2.513 602 F HA 0.344 4.871 4.527 0.001 0.000 0.358 602 F C 0.487 176.198 175.800 -0.149 0.000 1.118 602 F CA -0.925 56.942 58.000 -0.221 0.000 1.037 602 F CB 1.023 39.638 39.000 -0.642 0.000 1.276 602 F HN 0.482 nan 8.300 nan 0.000 0.446 603 S N 5.221 120.551 115.700 -0.617 0.000 3.965 603 S HA 0.484 4.954 4.470 0.001 0.000 0.195 603 S C -0.865 172.964 174.600 -1.285 0.000 1.449 603 S CA -0.272 57.471 58.200 -0.761 0.000 0.965 603 S CB -0.941 61.921 63.200 -0.563 0.000 1.459 603 S HN 0.442 nan 8.310 nan 0.000 0.476 604 F N 0.578 120.248 119.950 -0.466 0.000 2.643 604 F HA 0.588 5.116 4.527 0.001 0.000 0.314 604 F C -2.654 173.053 175.800 -0.155 0.000 1.096 604 F CA -2.529 55.261 58.000 -0.350 0.000 0.953 604 F CB 1.546 40.206 39.000 -0.567 0.000 1.345 604 F HN 0.023 nan 8.300 nan 0.000 0.468 605 P HA 0.240 nan 4.420 nan 0.000 0.276 605 P C -1.072 176.290 177.300 0.103 0.000 1.243 605 P CA -0.043 63.111 63.100 0.089 0.000 0.768 605 P CB 0.792 32.549 31.700 0.094 0.000 0.856 606 C N 3.133 122.493 119.300 0.100 0.000 2.547 606 C HA 0.370 4.831 4.460 0.001 0.000 0.313 606 C C 0.186 175.223 174.990 0.077 0.000 1.191 606 C CA -0.288 58.785 59.018 0.093 0.000 1.474 606 C CB 1.483 29.290 27.740 0.111 0.000 2.081 606 C HN 0.517 nan 8.230 nan 0.000 0.476 607 Q N 2.582 122.421 119.800 0.065 0.000 2.377 607 Q HA 0.292 4.633 4.340 0.001 0.000 0.249 607 Q C -0.428 175.612 176.000 0.065 0.000 1.005 607 Q CA 0.636 56.484 55.803 0.075 0.000 0.912 607 Q CB 0.361 29.141 28.738 0.070 0.000 1.223 607 Q HN 0.694 nan 8.270 nan 0.000 0.459 608 Q N 2.217 122.081 119.800 0.106 0.000 2.241 608 Q HA 0.234 4.574 4.340 0.001 0.000 0.254 608 Q C 0.268 176.313 176.000 0.075 0.000 0.917 608 Q CA 0.086 55.943 55.803 0.090 0.000 0.919 608 Q CB 1.588 30.448 28.738 0.204 0.000 1.237 608 Q HN 0.840 nan 8.270 nan 0.000 0.434 609 T N -2.771 111.701 114.554 -0.137 0.000 3.040 609 T HA 0.127 4.478 4.350 0.001 0.000 0.250 609 T C 0.658 174.869 174.700 -0.815 0.000 1.058 609 T CA 0.210 62.156 62.100 -0.256 0.000 0.988 609 T CB 0.217 68.992 68.868 -0.156 0.000 0.993 609 T HN 0.568 nan 8.240 nan 0.000 0.519 610 S N -0.329 114.793 115.700 -0.964 0.000 2.655 610 S HA 0.492 4.963 4.470 0.001 0.000 0.266 610 S C 0.204 174.466 174.600 -0.564 0.000 1.149 610 S CA -0.788 56.730 58.200 -1.136 0.000 0.818 610 S CB 0.981 63.877 63.200 -0.506 0.000 1.130 610 S HN -0.027 nan 8.310 nan 0.000 0.476 611 L N 1.503 122.579 121.223 -0.246 0.000 2.131 611 L HA 0.090 4.431 4.340 0.001 0.000 0.210 611 L C 1.341 178.195 176.870 -0.027 0.000 1.092 611 L CA 2.617 57.446 54.840 -0.019 0.000 0.759 611 L CB -0.802 41.277 42.059 0.032 0.000 0.903 611 L HN 0.915 nan 8.230 nan 0.000 0.435 612 D N -1.328 119.033 120.400 -0.065 0.000 2.463 612 D HA 0.281 4.922 4.640 0.001 0.000 0.224 612 D C 0.184 176.459 176.300 -0.042 0.000 1.174 612 D CA 0.333 54.319 54.000 -0.023 0.000 0.829 612 D CB 0.017 40.812 40.800 -0.009 0.000 0.993 612 D HN 0.215 nan 8.370 nan 0.000 0.497 613 A N -0.271 122.502 122.820 -0.079 0.000 2.398 613 A HA 0.748 5.068 4.320 0.001 0.000 0.301 613 A C -0.211 177.334 177.584 -0.065 0.000 1.041 613 A CA -0.406 51.584 52.037 -0.079 0.000 0.711 613 A CB 1.840 20.775 19.000 -0.108 0.000 1.240 613 A HN 0.228 nan 8.150 nan 0.000 0.420 614 G N 2.075 110.842 108.800 -0.056 0.000 2.668 614 G HA2 0.521 4.482 3.960 0.001 0.000 0.284 614 G HA3 0.521 4.482 3.960 0.001 0.000 0.284 614 G C -0.935 173.938 174.900 -0.046 0.000 1.456 614 G CA -0.375 44.705 45.100 -0.033 0.000 1.214 614 G HN 0.497 nan 8.290 nan 0.000 0.568 615 I N 2.970 123.527 120.570 -0.021 0.000 2.342 615 I HA 0.209 4.380 4.170 0.001 0.000 0.291 615 I C 0.301 176.411 176.117 -0.012 0.000 1.010 615 I CA -0.839 60.446 61.300 -0.026 0.000 1.308 615 I CB 1.436 39.424 38.000 -0.020 0.000 1.400 615 I HN 0.364 nan 8.210 nan 0.000 0.488 616 L N 7.715 128.915 121.223 -0.039 0.000 2.477 616 L HA 0.146 4.486 4.340 0.001 0.000 0.272 616 L C 0.868 177.693 176.870 -0.076 0.000 1.157 616 L CA 0.832 55.635 54.840 -0.062 0.000 0.889 616 L CB 0.240 42.169 42.059 -0.215 0.000 1.158 616 L HN 0.517 nan 8.230 nan 0.000 0.473 617 I N 2.641 123.189 120.570 -0.036 0.000 2.585 617 I HA 0.036 4.207 4.170 0.001 0.000 0.254 617 I C 0.725 176.823 176.117 -0.030 0.000 1.129 617 I CA 0.786 62.079 61.300 -0.011 0.000 1.455 617 I CB 0.066 38.086 38.000 0.034 0.000 1.111 617 I HN 0.760 nan 8.210 nan 0.000 0.433 618 T N -1.610 112.908 114.554 -0.060 0.000 2.907 618 T HA 0.221 4.572 4.350 0.001 0.000 0.344 618 T C -2.196 172.497 174.700 -0.013 0.000 1.675 618 T CA -0.633 61.451 62.100 -0.026 0.000 1.076 618 T CB 0.510 69.419 68.868 0.070 0.000 1.483 618 T HN 0.083 nan 8.240 nan 0.000 0.487 619 W N 2.272 123.623 121.300 0.084 0.000 2.237 619 W HA 0.558 5.218 4.660 0.001 0.000 0.335 619 W C 1.047 177.669 176.519 0.172 0.000 1.230 619 W CA -0.097 57.289 57.345 0.068 0.000 1.253 619 W CB 1.386 30.872 29.460 0.044 0.000 1.129 619 W HN 0.867 nan 8.180 nan 0.000 0.590 620 T N -1.138 113.790 114.554 0.624 0.000 2.804 620 T HA 0.626 4.976 4.350 0.001 0.000 0.290 620 T C -0.155 174.844 174.700 0.497 0.000 1.099 620 T CA -0.885 61.493 62.100 0.463 0.000 1.011 620 T CB 2.093 71.178 68.868 0.361 0.000 1.291 620 T HN 0.603 nan 8.240 nan 0.000 0.523 621 K N -0.634 120.004 120.400 0.397 0.000 1.882 621 K HA -0.198 4.123 4.320 0.001 0.000 0.199 621 K C 1.142 177.923 176.600 0.303 0.000 1.562 621 K CA 1.216 57.709 56.287 0.344 0.000 0.515 621 K CB -1.773 30.905 32.500 0.297 0.000 0.682 621 K HN 0.999 nan 8.250 nan 0.000 0.843 622 G N 0.162 109.128 108.800 0.278 0.000 3.337 622 G HA2 0.308 4.268 3.960 0.001 0.000 0.246 622 G HA3 0.308 4.268 3.960 0.001 0.000 0.246 622 G C -0.321 174.557 174.900 -0.036 0.000 1.131 622 G CA -0.293 44.867 45.100 0.100 0.000 0.773 622 G HN 0.154 nan 8.290 nan 0.000 0.544 623 F N 0.723 120.561 119.950 -0.188 0.000 2.399 623 F HA 0.478 5.006 4.527 0.001 0.000 0.342 623 F C 1.124 176.371 175.800 -0.921 0.000 1.106 623 F CA -0.235 57.360 58.000 -0.675 0.000 1.196 623 F CB 1.678 39.982 39.000 -1.161 0.000 1.163 623 F HN -0.155 nan 8.300 nan 0.000 0.547 624 K N 1.687 121.522 120.400 -0.942 0.000 2.637 624 K HA 0.262 4.582 4.320 0.001 0.000 0.184 624 K C -0.332 176.022 176.600 -0.411 0.000 1.200 624 K CA -0.179 55.719 56.287 -0.648 0.000 1.122 624 K CB 0.664 33.032 32.500 -0.219 0.000 0.926 624 K HN 0.551 nan 8.250 nan 0.000 0.535 625 A N 2.107 124.625 122.820 -0.503 0.000 2.540 625 A HA 0.191 4.512 4.320 0.001 0.000 0.239 625 A C 0.851 178.615 177.584 0.299 0.000 1.061 625 A CA 0.454 52.485 52.037 -0.010 0.000 0.758 625 A CB -0.239 18.804 19.000 0.071 0.000 0.991 625 A HN 0.313 nan 8.150 nan 0.000 0.502 626 T N 0.224 114.873 114.554 0.158 0.000 2.868 626 T HA 0.383 4.733 4.350 0.001 0.000 0.292 626 T C 0.028 174.785 174.700 0.095 0.000 1.028 626 T CA 0.176 62.364 62.100 0.146 0.000 1.059 626 T CB 0.548 69.464 68.868 0.079 0.000 0.991 626 T HN 0.736 nan 8.240 nan 0.000 0.531 627 D N 0.008 120.428 120.400 0.034 0.000 2.723 627 D HA -0.153 4.488 4.640 0.001 0.000 0.236 627 D C 0.491 176.462 176.300 -0.548 0.000 1.138 627 D CA 0.535 54.444 54.000 -0.153 0.000 0.676 627 D CB -1.476 39.256 40.800 -0.113 0.000 1.069 627 D HN 0.700 nan 8.370 nan 0.000 0.430 628 C N -1.083 118.076 119.300 -0.234 0.000 2.683 628 C HA 0.083 4.543 4.460 0.001 0.000 0.491 628 C C 1.152 176.055 174.990 -0.145 0.000 1.342 628 C CA -0.133 58.755 59.018 -0.216 0.000 2.476 628 C CB 0.258 28.086 27.740 0.147 0.000 3.150 628 C HN 0.267 nan 8.230 nan 0.000 0.551 629 V N 2.483 122.327 119.914 -0.117 0.000 2.540 629 V HA 0.394 4.515 4.120 0.001 0.000 0.297 629 V C 1.373 177.520 176.094 0.088 0.000 1.024 629 V CA 2.137 64.373 62.300 -0.107 0.000 1.105 629 V CB 0.048 31.817 31.823 -0.091 0.000 0.938 629 V HN 0.874 nan 8.190 nan 0.000 0.482 630 G N 3.450 112.276 108.800 0.043 0.000 2.176 630 G HA2 -0.203 3.758 3.960 0.001 0.000 0.253 630 G HA3 -0.203 3.758 3.960 0.001 0.000 0.253 630 G C 0.131 175.036 174.900 0.008 0.000 0.979 630 G CA 0.100 45.220 45.100 0.034 0.000 0.641 630 G HN 0.760 nan 8.290 nan 0.000 0.530 631 H N 0.177 119.192 119.070 -0.091 0.000 2.533 631 H HA 0.384 4.941 4.556 0.001 0.000 0.343 631 H C -0.854 174.396 175.328 -0.129 0.000 1.160 631 H CA -0.624 55.363 56.048 -0.102 0.000 1.218 631 H CB 1.766 31.459 29.762 -0.115 0.000 1.566 631 H HN 0.172 nan 8.280 nan 0.000 0.522 632 D N 2.230 122.615 120.400 -0.025 0.000 2.339 632 D HA -0.026 4.615 4.640 0.001 0.000 0.256 632 D C 1.331 177.554 176.300 -0.128 0.000 1.214 632 D CA -0.169 53.786 54.000 -0.075 0.000 0.877 632 D CB 1.245 42.000 40.800 -0.076 0.000 1.111 632 D HN 0.399 nan 8.370 nan 0.000 0.478 633 V N 2.588 122.385 119.914 -0.195 0.000 2.759 633 V HA -0.135 3.985 4.120 0.001 0.000 0.256 633 V C 1.939 177.944 176.094 -0.148 0.000 1.080 633 V CA 0.812 62.932 62.300 -0.300 0.000 1.101 633 V CB -0.562 30.917 31.823 -0.572 0.000 0.698 633 V HN 0.416 nan 8.190 nan 0.000 0.477 634 V N 1.255 121.134 119.914 -0.059 0.000 2.427 634 V HA -0.194 3.926 4.120 0.001 0.000 0.248 634 V C 2.780 178.845 176.094 -0.049 0.000 1.051 634 V CA 2.610 64.930 62.300 0.033 0.000 1.048 634 V CB -1.121 30.724 31.823 0.037 0.000 0.666 634 V HN 0.646 nan 8.190 nan 0.000 0.456 635 T N 0.617 115.115 114.554 -0.093 0.000 2.746 635 T HA -0.112 4.238 4.350 0.001 0.000 0.267 635 T C 1.913 176.511 174.700 -0.171 0.000 1.039 635 T CA 1.453 63.492 62.100 -0.102 0.000 1.142 635 T CB -0.292 68.526 68.868 -0.083 0.000 0.866 635 T HN 0.288 nan 8.240 nan 0.000 0.444 636 L N 0.282 121.315 121.223 -0.317 0.000 2.042 636 L HA -0.086 4.254 4.340 0.001 0.000 0.210 636 L C 2.467 179.005 176.870 -0.553 0.000 1.076 636 L CA 0.898 55.383 54.840 -0.592 0.000 0.749 636 L CB -0.580 40.731 42.059 -1.246 0.000 0.893 636 L HN 0.219 nan 8.230 nan 0.000 0.432 637 L N -0.052 120.941 121.223 -0.383 0.000 2.027 637 L HA -0.164 4.177 4.340 0.001 0.000 0.206 637 L C 2.726 179.581 176.870 -0.025 0.000 1.074 637 L CA 1.656 56.485 54.840 -0.018 0.000 0.745 637 L CB -0.481 41.613 42.059 0.057 0.000 0.898 637 L HN 0.058 nan 8.230 nan 0.000 0.433 638 R N -0.331 120.140 120.500 -0.047 0.000 2.105 638 R HA -0.166 4.174 4.340 0.001 0.000 0.239 638 R C 1.904 178.170 176.300 -0.057 0.000 1.135 638 R CA 1.535 57.612 56.100 -0.039 0.000 0.967 638 R CB -0.570 29.710 30.300 -0.033 0.000 0.861 638 R HN 0.444 nan 8.270 nan 0.000 0.442 639 D N 0.510 120.866 120.400 -0.073 0.000 2.117 639 D HA -0.120 4.521 4.640 0.001 0.000 0.197 639 D C 1.817 178.090 176.300 -0.044 0.000 0.987 639 D CA 1.571 55.535 54.000 -0.061 0.000 0.829 639 D CB -0.273 40.488 40.800 -0.065 0.000 0.961 639 D HN 0.253 nan 8.370 nan 0.000 0.460 640 A N 0.459 123.267 122.820 -0.021 0.000 1.972 640 A HA -0.109 4.212 4.320 0.001 0.000 0.219 640 A C 2.346 179.906 177.584 -0.040 0.000 1.169 640 A CA 0.763 52.813 52.037 0.021 0.000 0.635 640 A CB -0.628 18.452 19.000 0.132 0.000 0.810 640 A HN 0.198 nan 8.150 nan 0.000 0.446 641 I N -0.563 119.959 120.570 -0.081 0.000 2.252 641 I HA -0.253 3.918 4.170 0.001 0.000 0.245 641 I C 2.408 178.383 176.117 -0.236 0.000 1.102 641 I CA 1.441 62.600 61.300 -0.234 0.000 1.385 641 I CB -0.223 37.651 38.000 -0.211 0.000 1.064 641 I HN 0.270 nan 8.210 nan 0.000 0.414 642 K N 0.556 120.873 120.400 -0.139 0.000 2.097 642 K HA -0.133 4.187 4.320 0.001 0.000 0.206 642 K C 2.245 178.790 176.600 -0.091 0.000 1.049 642 K CA 1.174 57.395 56.287 -0.109 0.000 0.933 642 K CB -0.156 32.301 32.500 -0.072 0.000 0.717 642 K HN 0.288 nan 8.250 nan 0.000 0.442 643 R N 0.453 120.910 120.500 -0.070 0.000 2.096 643 R HA -0.096 4.244 4.340 0.001 0.000 0.235 643 R C 2.408 178.674 176.300 -0.057 0.000 1.127 643 R CA 1.138 57.211 56.100 -0.047 0.000 0.968 643 R CB -0.191 30.098 30.300 -0.019 0.000 0.861 643 R HN 0.145 nan 8.270 nan 0.000 0.440 644 R N 1.161 121.606 120.500 -0.091 0.000 2.115 644 R HA -0.142 4.198 4.340 0.001 0.000 0.226 644 R C 0.117 176.355 176.300 -0.103 0.000 1.100 644 R CA 0.936 56.982 56.100 -0.089 0.000 0.980 644 R CB 0.112 30.343 30.300 -0.116 0.000 0.875 644 R HN -0.015 nan 8.270 nan 0.000 0.445 645 E N 0.019 120.132 120.200 -0.145 0.000 2.320 645 E HA -0.233 4.117 4.350 0.001 0.000 0.234 645 E C -0.761 175.780 176.600 -0.099 0.000 1.183 645 E CA 1.316 57.648 56.400 -0.114 0.000 0.713 645 E CB -1.145 28.517 29.700 -0.063 0.000 1.226 645 E HN 0.674 nan 8.360 nan 0.000 0.382 646 E N -1.148 118.958 120.200 -0.157 0.000 3.034 646 E HA 0.253 4.603 4.350 0.001 0.000 0.237 646 E C 0.432 177.012 176.600 -0.033 0.000 1.117 646 E CA 0.002 56.375 56.400 -0.046 0.000 0.969 646 E CB -0.033 29.701 29.700 0.057 0.000 2.998 646 E HN 0.213 nan 8.360 nan 0.000 0.581 647 F N 1.363 121.318 119.950 0.008 0.000 2.403 647 F HA 0.527 5.054 4.527 0.001 0.000 0.320 647 F C 0.017 175.823 175.800 0.009 0.000 1.176 647 F CA -0.862 57.144 58.000 0.010 0.000 1.206 647 F CB 0.417 39.426 39.000 0.015 0.000 1.235 647 F HN -0.089 nan 8.300 nan 0.000 0.565 648 D N 0.709 121.210 120.400 0.169 0.000 2.374 648 D HA 0.683 5.324 4.640 0.001 0.000 0.239 648 D C -1.346 175.097 176.300 0.238 0.000 0.991 648 D CA -0.447 53.600 54.000 0.079 0.000 0.960 648 D CB 1.865 42.685 40.800 0.035 0.000 1.284 648 D HN 0.685 nan 8.370 nan 0.000 0.512 649 L N 0.987 122.311 121.223 0.169 0.000 2.465 649 L HA 0.316 4.656 4.340 0.001 0.000 0.257 649 L C -1.370 175.563 176.870 0.106 0.000 0.988 649 L CA -0.953 53.993 54.840 0.175 0.000 0.827 649 L CB 2.400 44.601 42.059 0.236 0.000 1.397 649 L HN 0.334 nan 8.230 nan 0.000 0.410 650 D N 1.613 122.072 120.400 0.099 0.000 2.473 650 D HA 0.299 4.939 4.640 0.001 0.000 0.226 650 D C -0.798 175.560 176.300 0.096 0.000 1.089 650 D CA -0.266 53.783 54.000 0.082 0.000 0.883 650 D CB 1.283 42.128 40.800 0.075 0.000 1.029 650 D HN 0.060 nan 8.370 nan 0.000 0.517 651 V N 4.792 124.759 119.914 0.087 0.000 2.397 651 V HA 0.043 4.164 4.120 0.001 0.000 0.262 651 V C 1.430 177.579 176.094 0.092 0.000 1.047 651 V CA -0.249 62.112 62.300 0.101 0.000 1.003 651 V CB 1.052 32.935 31.823 0.100 0.000 1.037 651 V HN 0.465 nan 8.190 nan 0.000 0.480 652 V N 3.859 123.836 119.914 0.105 0.000 3.471 652 V HA 0.448 4.569 4.120 0.001 0.000 0.258 652 V C 0.837 176.973 176.094 0.071 0.000 1.192 652 V CA 1.166 63.516 62.300 0.083 0.000 1.116 652 V CB 0.215 32.097 31.823 0.099 0.000 0.792 652 V HN 0.930 nan 8.190 nan 0.000 0.459 653 A N -0.635 122.244 122.820 0.098 0.000 2.594 653 A HA 0.689 5.009 4.320 0.001 0.000 0.296 653 A C -1.622 176.042 177.584 0.134 0.000 1.061 653 A CA -0.302 51.788 52.037 0.087 0.000 0.689 653 A CB 2.024 21.063 19.000 0.065 0.000 1.280 653 A HN 0.051 nan 8.150 nan 0.000 0.406 654 V N 2.456 122.422 119.914 0.088 0.000 2.448 654 V HA 0.759 4.879 4.120 0.001 0.000 0.295 654 V C -1.147 174.969 176.094 0.036 0.000 1.025 654 V CA -0.323 62.008 62.300 0.052 0.000 0.859 654 V CB 1.429 33.226 31.823 -0.043 0.000 0.988 654 V HN 0.982 nan 8.190 nan 0.000 0.431 655 V N 6.718 126.653 119.914 0.035 0.000 2.735 655 V HA 0.468 4.589 4.120 0.001 0.000 0.310 655 V C 0.217 176.317 176.094 0.010 0.000 1.061 655 V CA -0.854 61.463 62.300 0.028 0.000 0.913 655 V CB 2.014 33.860 31.823 0.039 0.000 1.005 655 V HN 0.949 nan 8.190 nan 0.000 0.428 656 N N 2.196 120.888 118.700 -0.014 0.000 2.444 656 N HA 0.019 4.760 4.740 0.001 0.000 0.255 656 N C 0.475 175.944 175.510 -0.069 0.000 1.255 656 N CA -0.130 52.886 53.050 -0.056 0.000 0.933 656 N CB 1.415 39.863 38.487 -0.066 0.000 1.143 656 N HN 0.895 nan 8.380 nan 0.000 0.453 657 D N 0.427 120.765 120.400 -0.104 0.000 2.264 657 D HA -0.161 4.480 4.640 0.001 0.000 0.208 657 D C 1.668 177.912 176.300 -0.093 0.000 0.966 657 D CA 1.429 55.376 54.000 -0.089 0.000 0.864 657 D CB -0.737 39.998 40.800 -0.109 0.000 0.933 657 D HN 0.683 nan 8.370 nan 0.000 0.499 658 T N -0.837 113.649 114.554 -0.114 0.000 2.708 658 T HA -0.145 4.205 4.350 0.001 0.000 0.266 658 T C 2.214 176.859 174.700 -0.092 0.000 1.037 658 T CA 1.521 63.548 62.100 -0.122 0.000 1.146 658 T CB -0.979 67.796 68.868 -0.156 0.000 0.865 658 T HN 0.069 nan 8.240 nan 0.000 0.435 659 V N 2.093 121.959 119.914 -0.081 0.000 2.343 659 V HA 0.019 4.140 4.120 0.001 0.000 0.247 659 V C 3.144 179.208 176.094 -0.050 0.000 1.051 659 V CA 1.822 64.083 62.300 -0.065 0.000 1.036 659 V CB -1.556 30.233 31.823 -0.057 0.000 0.654 659 V HN 0.696 nan 8.190 nan 0.000 0.451 660 G N -0.638 108.136 108.800 -0.043 0.000 2.432 660 G HA2 -0.215 3.746 3.960 0.001 0.000 0.219 660 G HA3 -0.215 3.746 3.960 0.001 0.000 0.219 660 G C 1.686 176.562 174.900 -0.039 0.000 1.135 660 G CA 1.467 46.546 45.100 -0.035 0.000 0.767 660 G HN 0.467 nan 8.290 nan 0.000 0.550 661 T N 0.722 115.248 114.554 -0.048 0.000 2.777 661 T HA -0.070 4.280 4.350 0.001 0.000 0.266 661 T C 2.247 176.923 174.700 -0.039 0.000 1.040 661 T CA 1.197 63.269 62.100 -0.046 0.000 1.141 661 T CB -0.177 68.653 68.868 -0.064 0.000 0.868 661 T HN 0.245 nan 8.240 nan 0.000 0.444 662 M N 0.468 120.041 119.600 -0.044 0.000 2.080 662 M HA -0.113 4.367 4.480 0.001 0.000 0.260 662 M C 2.041 178.330 176.300 -0.019 0.000 1.068 662 M CA 1.684 56.962 55.300 -0.036 0.000 1.109 662 M CB -0.203 32.370 32.600 -0.045 0.000 1.342 662 M HN 0.151 nan 8.290 nan 0.000 0.405 663 M N -0.561 119.027 119.600 -0.021 0.000 2.175 663 M HA -0.135 4.346 4.480 0.001 0.000 0.264 663 M C 2.076 178.384 176.300 0.015 0.000 1.063 663 M CA 1.670 56.967 55.300 -0.005 0.000 1.119 663 M CB -1.691 30.896 32.600 -0.021 0.000 1.377 663 M HN 0.308 nan 8.290 nan 0.000 0.415 664 T N 0.172 114.722 114.554 -0.006 0.000 2.684 664 T HA -0.200 4.150 4.350 0.001 0.000 0.267 664 T C 2.003 176.732 174.700 0.049 0.000 1.036 664 T CA 1.742 63.838 62.100 -0.006 0.000 1.148 664 T CB -0.542 68.311 68.868 -0.025 0.000 0.863 664 T HN 0.546 nan 8.240 nan 0.000 0.436 665 C N 1.583 120.903 119.300 0.034 0.000 2.466 665 C HA 0.315 4.775 4.460 0.001 0.000 0.278 665 C C 3.025 178.049 174.990 0.057 0.000 1.288 665 C CA 0.503 59.547 59.018 0.043 0.000 1.722 665 C CB -1.412 26.334 27.740 0.011 0.000 2.017 665 C HN 0.580 nan 8.230 nan 0.000 0.488 666 A N -1.391 121.456 122.820 0.046 0.000 2.209 666 A HA -0.047 4.274 4.320 0.001 0.000 0.212 666 A C 1.785 179.414 177.584 0.075 0.000 1.158 666 A CA 1.070 53.128 52.037 0.035 0.000 0.742 666 A CB -0.960 18.049 19.000 0.016 0.000 0.790 666 A HN 0.826 nan 8.150 nan 0.000 0.472 667 Y N 0.587 120.874 120.300 -0.021 0.000 2.165 667 Y HA -0.174 4.376 4.550 0.001 0.000 0.286 667 Y C 2.007 177.901 175.900 -0.011 0.000 1.155 667 Y CA 2.269 60.360 58.100 -0.016 0.000 1.164 667 Y CB 0.162 38.614 38.460 -0.013 0.000 0.978 667 Y HN 0.326 nan 8.280 nan 0.000 0.513 668 E N -0.279 119.893 120.200 -0.047 0.000 2.340 668 E HA 0.048 4.399 4.350 0.001 0.000 0.198 668 E C -0.134 176.421 176.600 -0.074 0.000 0.961 668 E CA 0.364 56.689 56.400 -0.125 0.000 0.905 668 E CB 0.223 29.912 29.700 -0.018 0.000 0.884 668 E HN 0.441 nan 8.360 nan 0.000 0.491 669 E N 1.861 122.042 120.200 -0.032 0.000 2.092 669 E HA 0.155 4.506 4.350 0.001 0.000 0.271 669 E C -1.856 174.724 176.600 -0.035 0.000 0.919 669 E CA -2.068 54.313 56.400 -0.032 0.000 0.760 669 E CB 1.771 31.457 29.700 -0.023 0.000 1.106 669 E HN -0.054 nan 8.360 nan 0.000 0.408 670 P HA -0.137 nan 4.420 nan 0.000 0.220 670 P C 1.094 178.374 177.300 -0.033 0.000 1.148 670 P CA 1.206 64.285 63.100 -0.036 0.000 0.803 670 P CB 0.116 31.794 31.700 -0.037 0.000 0.782 671 T N -4.091 110.442 114.554 -0.036 0.000 3.113 671 T HA 0.010 4.361 4.350 0.001 0.000 0.256 671 T C 0.955 175.627 174.700 -0.047 0.000 1.131 671 T CA -0.247 61.828 62.100 -0.041 0.000 1.074 671 T CB -1.459 67.380 68.868 -0.048 0.000 0.944 671 T HN 0.051 nan 8.240 nan 0.000 0.516 672 C N 2.677 121.951 119.300 -0.042 0.000 2.540 672 C HA 0.352 4.813 4.460 0.001 0.000 0.377 672 C C 1.022 175.992 174.990 -0.033 0.000 1.274 672 C CA -0.316 58.675 59.018 -0.045 0.000 1.718 672 C CB -1.380 26.341 27.740 -0.032 0.000 2.391 672 C HN 0.634 nan 8.230 nan 0.000 0.565 673 E N 3.124 123.305 120.200 -0.032 0.000 2.676 673 E HA 0.231 4.582 4.350 0.001 0.000 0.222 673 E C -0.655 175.955 176.600 0.016 0.000 0.968 673 E CA 0.030 56.425 56.400 -0.009 0.000 1.090 673 E CB 1.196 30.898 29.700 0.005 0.000 1.066 673 E HN 0.565 nan 8.360 nan 0.000 0.496 674 V N 0.338 120.247 119.914 -0.009 0.000 2.789 674 V HA 0.658 4.778 4.120 0.001 0.000 0.311 674 V C 0.098 176.172 176.094 -0.034 0.000 1.073 674 V CA -0.980 61.323 62.300 0.005 0.000 0.921 674 V CB 2.024 33.836 31.823 -0.018 0.000 1.009 674 V HN 0.161 nan 8.190 nan 0.000 0.426 675 G N 2.345 111.117 108.800 -0.048 0.000 2.448 675 G HA2 0.748 4.709 3.960 0.001 0.000 0.324 675 G HA3 0.748 4.709 3.960 0.001 0.000 0.324 675 G C -1.900 172.926 174.900 -0.123 0.000 1.203 675 G CA -0.597 44.456 45.100 -0.077 0.000 0.954 675 G HN 0.649 nan 8.290 nan 0.000 0.480 676 L N 1.876 123.026 121.223 -0.121 0.000 2.464 676 L HA 0.640 4.981 4.340 0.001 0.000 0.266 676 L C -1.396 175.381 176.870 -0.156 0.000 0.965 676 L CA -0.815 53.928 54.840 -0.161 0.000 0.833 676 L CB 1.895 43.937 42.059 -0.028 0.000 1.296 676 L HN 0.359 nan 8.230 nan 0.000 0.405 677 I N 5.952 126.424 120.570 -0.162 0.000 2.406 677 I HA 0.476 4.647 4.170 0.001 0.000 0.290 677 I C -0.625 175.466 176.117 -0.044 0.000 0.999 677 I CA -0.643 60.589 61.300 -0.113 0.000 1.124 677 I CB 1.888 39.820 38.000 -0.114 0.000 1.289 677 I HN 0.336 nan 8.210 nan 0.000 0.441 678 V N 6.151 126.037 119.914 -0.047 0.000 2.380 678 V HA 0.644 4.765 4.120 0.001 0.000 0.268 678 V C 0.479 176.527 176.094 -0.076 0.000 1.008 678 V CA -0.181 62.093 62.300 -0.043 0.000 0.823 678 V CB 0.908 32.662 31.823 -0.115 0.000 1.053 678 V HN 1.025 nan 8.190 nan 0.000 0.446 679 G N 1.859 110.633 108.800 -0.045 0.000 3.382 679 G HA2 0.253 4.213 3.960 0.001 0.000 0.183 679 G HA3 0.253 4.213 3.960 0.001 0.000 0.183 679 G C 0.916 175.798 174.900 -0.029 0.000 1.246 679 G CA 0.750 45.825 45.100 -0.043 0.000 0.828 679 G HN 0.276 nan 8.290 nan 0.000 0.728 680 T N 0.644 115.185 114.554 -0.023 0.000 2.684 680 T HA 0.142 4.492 4.350 0.001 0.000 0.267 680 T C 1.229 175.939 174.700 0.017 0.000 1.036 680 T CA 1.630 63.716 62.100 -0.024 0.000 1.148 680 T CB -0.479 68.385 68.868 -0.008 0.000 0.863 680 T HN 0.688 nan 8.240 nan 0.000 0.436 681 G N -0.401 108.423 108.800 0.041 0.000 2.932 681 G HA2 0.576 4.536 3.960 0.001 0.000 0.283 681 G HA3 0.576 4.536 3.960 0.001 0.000 0.283 681 G C -1.311 173.650 174.900 0.101 0.000 1.336 681 G CA -0.482 44.688 45.100 0.116 0.000 1.056 681 G HN 0.223 nan 8.290 nan 0.000 0.522 682 S N -0.580 115.224 115.700 0.173 0.000 2.571 682 S HA 0.680 5.151 4.470 0.001 0.000 0.284 682 S C -1.004 173.754 174.600 0.263 0.000 1.128 682 S CA -0.742 57.599 58.200 0.235 0.000 0.970 682 S CB 1.625 65.046 63.200 0.368 0.000 1.039 682 S HN 0.844 nan 8.310 nan 0.000 0.485 683 N N 1.481 120.140 118.700 -0.068 0.000 3.046 683 N HA 0.775 5.516 4.740 0.001 0.000 0.243 683 N C -1.825 173.146 175.510 -0.899 0.000 1.452 683 N CA -0.021 52.725 53.050 -0.507 0.000 0.882 683 N CB 1.690 40.063 38.487 -0.190 0.000 1.425 683 N HN 0.888 nan 8.380 nan 0.000 0.517 684 A N -0.210 121.998 122.820 -1.021 0.000 2.587 684 A HA 0.788 5.108 4.320 0.001 0.000 0.293 684 A C -0.807 176.578 177.584 -0.332 0.000 1.087 684 A CA -0.387 51.199 52.037 -0.753 0.000 0.692 684 A CB 0.175 18.472 19.000 -1.171 0.000 1.291 684 A HN 1.296 nan 8.150 nan 0.000 0.407 685 C N -0.784 118.417 119.300 -0.164 0.000 3.080 685 C HA 1.054 5.514 4.460 0.001 0.000 0.307 685 C C -1.032 174.005 174.990 0.079 0.000 1.311 685 C CA -0.894 58.093 59.018 -0.050 0.000 1.533 685 C CB 0.603 28.280 27.740 -0.106 0.000 1.970 685 C HN 1.877 nan 8.230 nan 0.000 0.467 686 Y N -0.618 119.627 120.300 -0.092 0.000 2.641 686 Y HA 0.713 5.263 4.550 0.001 0.000 0.333 686 Y C -1.031 174.829 175.900 -0.066 0.000 1.174 686 Y CA -1.486 56.569 58.100 -0.074 0.000 1.057 686 Y CB 0.866 39.291 38.460 -0.058 0.000 1.322 686 Y HN 0.626 nan 8.280 nan 0.000 0.457 687 M N 3.167 122.702 119.600 -0.108 0.000 2.156 687 M HA 0.272 4.753 4.480 0.001 0.000 0.345 687 M C -0.448 175.778 176.300 -0.124 0.000 1.398 687 M CA 0.105 55.310 55.300 -0.157 0.000 1.148 687 M CB 0.154 32.724 32.600 -0.050 0.000 1.663 687 M HN 0.833 nan 8.290 nan 0.000 0.464 688 E N 2.685 122.711 120.200 -0.291 0.000 2.222 688 E HA 0.355 4.705 4.350 0.001 0.000 0.267 688 E C -0.762 175.790 176.600 -0.080 0.000 0.963 688 E CA -0.451 55.872 56.400 -0.129 0.000 0.837 688 E CB 1.115 30.660 29.700 -0.258 0.000 1.183 688 E HN 0.360 nan 8.360 nan 0.000 0.403 689 E N 3.595 123.782 120.200 -0.022 0.000 2.354 689 E HA 0.042 4.392 4.350 0.001 0.000 0.269 689 E C 0.847 177.414 176.600 -0.055 0.000 1.036 689 E CA -0.208 56.173 56.400 -0.033 0.000 0.876 689 E CB 0.525 30.219 29.700 -0.010 0.000 1.009 689 E HN 0.652 nan 8.360 nan 0.000 0.416 690 M N 2.046 121.608 119.600 -0.063 0.000 2.279 690 M HA -0.184 4.297 4.480 0.001 0.000 0.264 690 M C 1.771 178.038 176.300 -0.055 0.000 1.062 690 M CA 1.536 56.791 55.300 -0.075 0.000 1.099 690 M CB -0.749 31.809 32.600 -0.069 0.000 1.394 690 M HN 0.482 nan 8.290 nan 0.000 0.426 691 K N -0.654 119.724 120.400 -0.036 0.000 2.211 691 K HA -0.118 4.203 4.320 0.001 0.000 0.203 691 K C 1.167 177.754 176.600 -0.023 0.000 1.050 691 K CA 1.281 57.553 56.287 -0.025 0.000 0.945 691 K CB -0.271 32.220 32.500 -0.016 0.000 0.732 691 K HN 0.262 nan 8.250 nan 0.000 0.451 692 N N 0.992 119.678 118.700 -0.023 0.000 2.415 692 N HA -0.003 4.738 4.740 0.001 0.000 0.176 692 N C -0.053 175.438 175.510 -0.032 0.000 1.042 692 N CA 0.460 53.502 53.050 -0.013 0.000 0.902 692 N CB 0.401 38.894 38.487 0.010 0.000 0.986 692 N HN -0.010 nan 8.380 nan 0.000 0.447 693 V N 2.793 122.670 119.914 -0.063 0.000 2.223 693 V HA 0.078 4.199 4.120 0.001 0.000 0.249 693 V C 1.189 177.232 176.094 -0.085 0.000 1.233 693 V CA -0.042 62.200 62.300 -0.096 0.000 1.131 693 V CB -0.208 31.525 31.823 -0.149 0.000 1.298 693 V HN 0.143 nan 8.190 nan 0.000 0.498 694 E N 2.567 122.730 120.200 -0.063 0.000 2.204 694 E HA -0.149 4.202 4.350 0.001 0.000 0.194 694 E C 1.646 178.211 176.600 -0.059 0.000 0.989 694 E CA 0.900 57.272 56.400 -0.046 0.000 0.824 694 E CB 0.004 29.691 29.700 -0.021 0.000 0.756 694 E HN 0.559 nan 8.360 nan 0.000 0.477 695 M N 0.565 120.102 119.600 -0.104 0.000 2.619 695 M HA 0.037 4.517 4.480 0.001 0.000 0.251 695 M C 0.278 176.533 176.300 -0.075 0.000 1.106 695 M CA 0.568 55.801 55.300 -0.113 0.000 1.086 695 M CB 0.082 32.540 32.600 -0.236 0.000 1.465 695 M HN -0.197 nan 8.290 nan 0.000 0.506 696 V N 0.390 120.255 119.914 -0.082 0.000 2.483 696 V HA 0.239 4.359 4.120 0.001 0.000 0.297 696 V C 0.109 176.180 176.094 -0.039 0.000 1.027 696 V CA -1.361 60.905 62.300 -0.057 0.000 0.855 696 V CB 2.272 33.998 31.823 -0.161 0.000 0.995 696 V HN 0.198 nan 8.190 nan 0.000 0.424 697 E N 3.083 123.284 120.200 0.000 0.000 2.414 697 E HA 0.459 4.810 4.350 0.001 0.000 0.263 697 E C 0.290 176.887 176.600 -0.004 0.000 1.000 697 E CA 0.923 57.323 56.400 0.001 0.000 0.914 697 E CB 0.759 30.469 29.700 0.017 0.000 0.948 697 E HN 1.165 nan 8.360 nan 0.000 0.444 698 G N 3.504 112.297 108.800 -0.011 0.000 2.841 698 G HA2 -0.098 3.862 3.960 0.001 0.000 0.684 698 G HA3 -0.098 3.862 3.960 0.001 0.000 0.684 698 G C -0.584 174.301 174.900 -0.026 0.000 1.273 698 G CA -0.386 44.705 45.100 -0.014 0.000 0.811 698 G HN 0.599 nan 8.290 nan 0.000 0.631 699 D N 0.582 120.970 120.400 -0.021 0.000 2.535 699 D HA 0.125 4.766 4.640 0.001 0.000 0.229 699 D C 1.023 177.310 176.300 -0.023 0.000 1.238 699 D CA 0.296 54.282 54.000 -0.023 0.000 0.824 699 D CB 0.798 41.589 40.800 -0.016 0.000 1.045 699 D HN 0.809 nan 8.370 nan 0.000 0.500 700 Q N -0.031 119.755 119.800 -0.023 0.000 2.282 700 Q HA 0.572 4.912 4.340 0.001 0.000 0.260 700 Q C 0.721 176.704 176.000 -0.029 0.000 0.964 700 Q CA -0.839 54.952 55.803 -0.021 0.000 0.880 700 Q CB 2.207 30.937 28.738 -0.014 0.000 1.286 700 Q HN -0.032 nan 8.270 nan 0.000 0.445 701 G N 1.608 110.392 108.800 -0.027 0.000 2.598 701 G HA2 -0.265 3.695 3.960 0.001 0.000 0.244 701 G HA3 -0.265 3.695 3.960 0.001 0.000 0.244 701 G C -0.794 174.078 174.900 -0.047 0.000 1.302 701 G CA -0.191 44.890 45.100 -0.033 0.000 0.903 701 G HN 0.750 nan 8.290 nan 0.000 0.575 702 Q N -1.157 118.608 119.800 -0.058 0.000 2.495 702 Q HA 0.796 5.136 4.340 0.001 0.000 0.283 702 Q C -0.162 175.767 176.000 -0.118 0.000 1.097 702 Q CA -0.847 54.907 55.803 -0.081 0.000 0.836 702 Q CB 2.232 30.930 28.738 -0.068 0.000 1.426 702 Q HN 0.718 nan 8.270 nan 0.000 0.459 703 M N 0.803 120.305 119.600 -0.163 0.000 2.322 703 M HA 0.317 4.797 4.480 0.001 0.000 0.286 703 M C -1.628 174.520 176.300 -0.253 0.000 1.111 703 M CA -0.531 54.641 55.300 -0.214 0.000 0.941 703 M CB 1.680 34.107 32.600 -0.287 0.000 1.671 703 M HN 0.827 nan 8.290 nan 0.000 0.470 704 C N 5.984 125.150 119.300 -0.224 0.000 2.632 704 C HA 0.424 4.884 4.460 0.001 0.000 0.415 704 C C -0.144 174.669 174.990 -0.295 0.000 1.332 704 C CA -0.339 58.529 59.018 -0.250 0.000 1.874 704 C CB -0.694 26.949 27.740 -0.162 0.000 2.596 704 C HN 0.650 nan 8.230 nan 0.000 0.590 705 I N 6.341 126.662 120.570 -0.416 0.000 2.354 705 I HA 0.241 4.412 4.170 0.001 0.000 0.292 705 I C 0.114 176.102 176.117 -0.215 0.000 0.989 705 I CA -0.007 61.087 61.300 -0.343 0.000 1.188 705 I CB 1.285 38.999 38.000 -0.477 0.000 1.342 705 I HN 0.714 nan 8.210 nan 0.000 0.457 706 N N 6.660 125.288 118.700 -0.119 0.000 2.415 706 N HA 0.234 4.974 4.740 0.001 0.000 0.246 706 N C 0.682 176.186 175.510 -0.011 0.000 1.078 706 N CA -0.100 52.910 53.050 -0.068 0.000 0.942 706 N CB 0.880 39.340 38.487 -0.044 0.000 1.140 706 N HN 0.522 nan 8.380 nan 0.000 0.501 707 M N 1.325 120.935 119.600 0.016 0.000 2.159 707 M HA -0.045 4.435 4.480 0.001 0.000 0.263 707 M C -0.053 176.326 176.300 0.130 0.000 1.063 707 M CA 0.956 56.320 55.300 0.106 0.000 1.110 707 M CB -0.149 32.550 32.600 0.165 0.000 1.374 707 M HN 0.466 nan 8.290 nan 0.000 0.411 708 E N 0.017 120.277 120.200 0.100 0.000 2.271 708 E HA -0.222 4.129 4.350 0.001 0.000 0.223 708 E C 0.061 176.837 176.600 0.293 0.000 1.223 708 E CA 0.738 57.228 56.400 0.151 0.000 0.704 708 E CB -1.670 28.108 29.700 0.131 0.000 1.194 708 E HN 0.812 nan 8.360 nan 0.000 0.375 709 W N -0.425 120.949 121.300 0.123 0.000 2.825 709 W HA 0.254 4.915 4.660 0.001 0.000 0.243 709 W C 1.420 178.118 176.519 0.297 0.000 1.293 709 W CA 0.590 58.026 57.345 0.151 0.000 1.403 709 W CB -1.180 28.367 29.460 0.144 0.000 1.134 709 W HN 0.142 nan 8.180 nan 0.000 0.666 710 G N 1.481 110.680 108.800 0.665 0.000 2.450 710 G HA2 -0.160 3.800 3.960 0.001 0.000 0.220 710 G HA3 -0.160 3.800 3.960 0.001 0.000 0.220 710 G C 1.699 176.818 174.900 0.364 0.000 1.130 710 G CA 1.684 47.088 45.100 0.508 0.000 0.760 710 G HN 0.434 nan 8.290 nan 0.000 0.557 711 A N -0.185 122.813 122.820 0.297 0.000 2.238 711 A HA 0.403 4.723 4.320 0.001 0.000 0.208 711 A C 0.810 178.522 177.584 0.213 0.000 1.177 711 A CA -0.569 51.593 52.037 0.208 0.000 0.804 711 A CB -0.366 18.733 19.000 0.165 0.000 0.823 711 A HN 0.265 nan 8.150 nan 0.000 0.482 712 F N 0.988 120.961 119.950 0.040 0.000 2.642 712 F HA 0.330 4.858 4.527 0.001 0.000 0.371 712 F C 1.423 177.180 175.800 -0.072 0.000 1.120 712 F CA 1.075 59.011 58.000 -0.108 0.000 1.331 712 F CB -0.003 38.741 39.000 -0.426 0.000 1.044 712 F HN 0.422 nan 8.300 nan 0.000 0.594 713 G N 4.037 112.656 108.800 -0.302 0.000 2.253 713 G HA2 -0.326 3.635 3.960 0.001 0.000 0.251 713 G HA3 -0.326 3.635 3.960 0.001 0.000 0.251 713 G C 0.850 175.679 174.900 -0.118 0.000 0.998 713 G CA 0.365 45.279 45.100 -0.311 0.000 0.621 713 G HN 0.608 nan 8.290 nan 0.000 0.524 714 D N 1.086 121.466 120.400 -0.032 0.000 2.371 714 D HA 0.023 4.664 4.640 0.001 0.000 0.221 714 D C 1.975 178.265 176.300 -0.017 0.000 0.986 714 D CA 1.210 55.204 54.000 -0.010 0.000 0.899 714 D CB -0.148 40.670 40.800 0.029 0.000 0.902 714 D HN 0.712 nan 8.370 nan 0.000 0.530 715 N N -0.726 117.959 118.700 -0.026 0.000 2.235 715 N HA 0.125 4.865 4.740 0.001 0.000 0.209 715 N C 1.264 176.746 175.510 -0.046 0.000 1.122 715 N CA 0.474 53.509 53.050 -0.025 0.000 0.845 715 N CB 0.447 38.928 38.487 -0.009 0.000 1.004 715 N HN 0.053 nan 8.380 nan 0.000 0.499 716 G N 0.223 108.981 108.800 -0.071 0.000 2.175 716 G HA2 -0.359 3.602 3.960 0.001 0.000 0.244 716 G HA3 -0.359 3.602 3.960 0.001 0.000 0.244 716 G C 1.020 175.853 174.900 -0.111 0.000 0.982 716 G CA 0.225 45.276 45.100 -0.082 0.000 0.641 716 G HN 0.788 nan 8.290 nan 0.000 0.527 717 C N -0.423 118.789 119.300 -0.148 0.000 2.491 717 C HA 0.593 5.054 4.460 0.001 0.000 0.277 717 C C 1.937 176.762 174.990 -0.274 0.000 1.455 717 C CA 0.831 59.740 59.018 -0.182 0.000 1.758 717 C CB -1.040 26.610 27.740 -0.150 0.000 1.745 717 C HN 0.437 nan 8.230 nan 0.000 0.558 718 L N 0.359 121.400 121.223 -0.302 0.000 3.014 718 L HA 0.254 4.594 4.340 0.001 0.000 0.263 718 L C 1.205 177.975 176.870 -0.167 0.000 1.207 718 L CA -0.047 54.625 54.840 -0.280 0.000 1.017 718 L CB -0.241 41.601 42.059 -0.361 0.000 1.360 718 L HN 0.078 nan 8.230 nan 0.000 0.560 719 D N 1.296 121.616 120.400 -0.134 0.000 2.178 719 D HA -0.188 4.453 4.640 0.001 0.000 0.201 719 D C 1.610 177.858 176.300 -0.086 0.000 0.980 719 D CA 1.472 55.412 54.000 -0.100 0.000 0.842 719 D CB 0.107 40.858 40.800 -0.080 0.000 0.948 719 D HN 0.470 nan 8.370 nan 0.000 0.472 720 D N 0.435 120.788 120.400 -0.079 0.000 2.348 720 D HA -0.116 4.525 4.640 0.001 0.000 0.216 720 D C 1.862 178.127 176.300 -0.059 0.000 0.970 720 D CA 0.365 54.330 54.000 -0.058 0.000 0.889 720 D CB -0.575 40.199 40.800 -0.044 0.000 0.912 720 D HN 0.492 nan 8.370 nan 0.000 0.524 721 I N -3.918 116.605 120.570 -0.079 0.000 4.227 721 I HA 0.319 4.489 4.170 0.001 0.000 0.334 721 I C 0.278 176.329 176.117 -0.111 0.000 1.341 721 I CA -0.788 60.464 61.300 -0.079 0.000 1.123 721 I CB 0.258 38.219 38.000 -0.065 0.000 1.097 721 I HN -0.333 nan 8.210 nan 0.000 0.399 722 R N 2.870 123.303 120.500 -0.113 0.000 2.491 722 R HA 0.301 4.641 4.340 0.001 0.000 0.283 722 R C 0.480 176.688 176.300 -0.154 0.000 1.072 722 R CA 0.320 56.347 56.100 -0.120 0.000 1.048 722 R CB 0.932 31.172 30.300 -0.100 0.000 0.983 722 R HN 0.400 nan 8.270 nan 0.000 0.450 723 T N -2.134 112.305 114.554 -0.192 0.000 2.884 723 T HA 0.032 4.382 4.350 0.001 0.000 0.277 723 T C 1.235 175.844 174.700 -0.151 0.000 0.976 723 T CA -0.554 61.415 62.100 -0.220 0.000 0.956 723 T CB 1.080 69.744 68.868 -0.340 0.000 1.113 723 T HN 0.764 nan 8.240 nan 0.000 0.554 724 H N -0.242 118.651 119.070 -0.295 0.000 2.352 724 H HA -0.110 4.447 4.556 0.001 0.000 0.299 724 H C 1.446 176.548 175.328 -0.377 0.000 1.097 724 H CA 2.054 57.871 56.048 -0.385 0.000 1.311 724 H CB -0.665 28.753 29.762 -0.573 0.000 1.377 724 H HN 0.711 nan 8.280 nan 0.000 0.504 725 Y N 0.361 120.611 120.300 -0.083 0.000 2.293 725 Y HA -0.139 4.411 4.550 0.001 0.000 0.291 725 Y C 2.357 178.233 175.900 -0.039 0.000 1.137 725 Y CA 1.062 59.143 58.100 -0.032 0.000 1.202 725 Y CB -0.008 38.575 38.460 0.206 0.000 0.990 725 Y HN 0.338 nan 8.280 nan 0.000 0.537 726 D N -0.016 120.431 120.400 0.079 0.000 2.123 726 D HA -0.099 4.541 4.640 0.001 0.000 0.200 726 D C 2.102 178.379 176.300 -0.038 0.000 0.976 726 D CA 0.902 54.921 54.000 0.031 0.000 0.831 726 D CB -0.224 40.573 40.800 -0.006 0.000 0.974 726 D HN 0.355 nan 8.370 nan 0.000 0.469 727 R N 0.446 120.883 120.500 -0.105 0.000 2.091 727 R HA -0.063 4.277 4.340 0.001 0.000 0.238 727 R C 2.638 178.883 176.300 -0.091 0.000 1.136 727 R CA 0.662 56.694 56.100 -0.113 0.000 0.959 727 R CB -0.393 29.820 30.300 -0.145 0.000 0.856 727 R HN 0.198 nan 8.270 nan 0.000 0.437 728 L N 0.142 121.270 121.223 -0.159 0.000 2.017 728 L HA -0.198 4.143 4.340 0.001 0.000 0.208 728 L C 2.454 179.389 176.870 0.108 0.000 1.073 728 L CA 1.143 55.959 54.840 -0.040 0.000 0.745 728 L CB -0.517 41.445 42.059 -0.162 0.000 0.894 728 L HN 0.044 nan 8.230 nan 0.000 0.432 729 V N -0.034 119.919 119.914 0.064 0.000 2.343 729 V HA -0.322 3.798 4.120 0.001 0.000 0.247 729 V C 2.235 178.403 176.094 0.123 0.000 1.051 729 V CA 2.172 64.543 62.300 0.118 0.000 1.036 729 V CB -0.498 31.396 31.823 0.119 0.000 0.654 729 V HN 0.508 nan 8.190 nan 0.000 0.451 730 D N 0.013 120.444 120.400 0.052 0.000 2.117 730 D HA -0.217 4.424 4.640 0.001 0.000 0.198 730 D C 2.229 178.561 176.300 0.053 0.000 0.982 730 D CA 1.577 55.590 54.000 0.021 0.000 0.828 730 D CB -0.136 40.649 40.800 -0.025 0.000 0.967 730 D HN 0.616 nan 8.370 nan 0.000 0.464 731 E N -1.424 118.814 120.200 0.064 0.000 2.153 731 E HA -0.222 4.128 4.350 0.001 0.000 0.194 731 E C 1.139 177.719 176.600 -0.033 0.000 0.988 731 E CA 0.848 57.254 56.400 0.009 0.000 0.811 731 E CB -0.247 29.454 29.700 0.001 0.000 0.746 731 E HN 0.409 nan 8.360 nan 0.000 0.466 732 Y N 1.023 121.333 120.300 0.016 0.000 2.466 732 Y HA 0.125 4.675 4.550 0.001 0.000 0.272 732 Y C 1.064 176.999 175.900 0.058 0.000 1.169 732 Y CA 0.265 58.385 58.100 0.034 0.000 1.285 732 Y CB 0.361 38.843 38.460 0.037 0.000 1.078 732 Y HN 0.042 nan 8.280 nan 0.000 0.523 733 S N -0.974 114.832 115.700 0.177 0.000 2.681 733 S HA 0.184 4.654 4.470 0.001 0.000 0.270 733 S C 1.047 175.722 174.600 0.124 0.000 1.209 733 S CA -0.603 57.704 58.200 0.180 0.000 0.988 733 S CB 0.794 64.109 63.200 0.192 0.000 1.006 733 S HN 0.311 nan 8.310 nan 0.000 0.558 734 L N 0.682 121.990 121.223 0.141 0.000 2.376 734 L HA 0.054 4.394 4.340 0.001 0.000 0.219 734 L C 0.548 177.481 176.870 0.106 0.000 1.133 734 L CA 0.596 55.499 54.840 0.106 0.000 0.816 734 L CB -0.667 41.454 42.059 0.104 0.000 0.933 734 L HN 0.800 nan 8.230 nan 0.000 0.449 735 N N -0.132 118.639 118.700 0.119 0.000 2.723 735 N HA 0.235 4.975 4.740 0.001 0.000 0.290 735 N C -0.374 175.180 175.510 0.073 0.000 1.882 735 N CA -0.322 52.793 53.050 0.109 0.000 0.851 735 N CB 0.162 38.740 38.487 0.151 0.000 1.234 735 N HN -0.064 nan 8.380 nan 0.000 0.491 736 A N -0.136 122.714 122.820 0.049 0.000 2.546 736 A HA 0.493 4.814 4.320 0.001 0.000 0.243 736 A C 1.580 179.174 177.584 0.016 0.000 1.063 736 A CA 0.881 52.933 52.037 0.024 0.000 0.757 736 A CB -0.641 18.360 19.000 0.001 0.000 0.991 736 A HN 1.405 nan 8.150 nan 0.000 0.503 737 G N 1.483 110.284 108.800 0.003 0.000 2.217 737 G HA2 -0.187 3.773 3.960 0.001 0.000 0.246 737 G HA3 -0.187 3.773 3.960 0.001 0.000 0.246 737 G C 0.263 175.168 174.900 0.009 0.000 0.990 737 G CA 0.645 45.745 45.100 -0.001 0.000 0.627 737 G HN 0.785 nan 8.290 nan 0.000 0.522 738 K N 0.125 120.539 120.400 0.023 0.000 2.281 738 K HA 0.649 4.969 4.320 0.001 0.000 0.242 738 K C 0.703 177.323 176.600 0.033 0.000 0.971 738 K CA -0.736 55.577 56.287 0.044 0.000 0.834 738 K CB 0.994 33.540 32.500 0.078 0.000 1.181 738 K HN 0.210 nan 8.250 nan 0.000 0.435 739 Q N 0.379 120.219 119.800 0.066 0.000 2.468 739 Q HA -0.240 4.101 4.340 0.001 0.000 0.289 739 Q C 0.709 176.717 176.000 0.013 0.000 1.299 739 Q CA 0.625 56.475 55.803 0.078 0.000 0.838 739 Q CB -1.519 27.271 28.738 0.087 0.000 1.195 739 Q HN 0.599 nan 8.270 nan 0.000 0.456 740 R N -0.636 119.874 120.500 0.018 0.000 2.081 740 R HA -0.164 4.177 4.340 0.001 0.000 0.235 740 R C 1.852 178.171 176.300 0.032 0.000 1.131 740 R CA 1.720 57.807 56.100 -0.022 0.000 0.960 740 R CB -0.256 30.022 30.300 -0.036 0.000 0.856 740 R HN 0.383 nan 8.270 nan 0.000 0.436 741 Y N 1.912 122.181 120.300 -0.051 0.000 2.145 741 Y HA -0.249 4.302 4.550 0.001 0.000 0.286 741 Y C 2.325 178.231 175.900 0.011 0.000 1.145 741 Y CA 1.858 59.940 58.100 -0.030 0.000 1.148 741 Y CB -0.358 38.132 38.460 0.051 0.000 0.981 741 Y HN 0.124 nan 8.280 nan 0.000 0.507 742 E N 0.226 120.471 120.200 0.076 0.000 2.118 742 E HA -0.256 4.095 4.350 0.001 0.000 0.195 742 E C 1.838 178.426 176.600 -0.021 0.000 0.992 742 E CA 1.690 58.125 56.400 0.057 0.000 0.804 742 E CB -0.184 29.625 29.700 0.181 0.000 0.741 742 E HN 0.457 nan 8.360 nan 0.000 0.458 743 K N -0.466 119.810 120.400 -0.208 0.000 2.439 743 K HA -0.005 4.315 4.320 0.001 0.000 0.197 743 K C 1.605 178.160 176.600 -0.075 0.000 1.041 743 K CA 0.860 56.904 56.287 -0.405 0.000 0.970 743 K CB 0.090 32.241 32.500 -0.583 0.000 0.773 743 K HN 0.284 nan 8.250 nan 0.000 0.479 744 M N -0.430 119.144 119.600 -0.043 0.000 2.428 744 M HA 0.132 4.613 4.480 0.001 0.000 0.239 744 M C 1.274 177.586 176.300 0.020 0.000 1.121 744 M CA 0.612 55.919 55.300 0.012 0.000 1.019 744 M CB 0.525 33.120 32.600 -0.008 0.000 1.485 744 M HN 0.082 nan 8.290 nan 0.000 0.484 745 I N -1.873 118.703 120.570 0.009 0.000 4.033 745 I HA 0.072 4.243 4.170 0.001 0.000 0.296 745 I C 1.135 177.315 176.117 0.105 0.000 1.210 745 I CA -0.020 61.312 61.300 0.053 0.000 1.341 745 I CB 0.579 38.543 38.000 -0.061 0.000 1.369 745 I HN 0.095 nan 8.210 nan 0.000 0.453 746 S N 0.416 116.204 115.700 0.147 0.000 2.693 746 S HA 0.372 4.842 4.470 0.001 0.000 0.276 746 S C 1.206 175.865 174.600 0.098 0.000 1.192 746 S CA 0.025 58.297 58.200 0.120 0.000 0.994 746 S CB 1.415 64.718 63.200 0.173 0.000 1.012 746 S HN 0.286 nan 8.310 nan 0.000 0.550 747 G N 0.405 109.207 108.800 0.005 0.000 2.462 747 G HA2 -0.211 3.749 3.960 0.001 0.000 0.220 747 G HA3 -0.211 3.749 3.960 0.001 0.000 0.220 747 G C 1.200 176.060 174.900 -0.067 0.000 1.121 747 G CA 0.962 46.046 45.100 -0.027 0.000 0.758 747 G HN 0.767 nan 8.290 nan 0.000 0.559 748 M N -1.116 118.373 119.600 -0.186 0.000 2.394 748 M HA 0.129 4.609 4.480 0.001 0.000 0.264 748 M C 1.649 177.658 176.300 -0.486 0.000 1.073 748 M CA 1.235 56.273 55.300 -0.437 0.000 1.111 748 M CB 0.158 32.282 32.600 -0.793 0.000 1.401 748 M HN 0.372 nan 8.290 nan 0.000 0.448 749 Y N -1.537 118.800 120.300 0.061 0.000 2.526 749 Y HA 0.201 4.752 4.550 0.001 0.000 0.265 749 Y C 1.728 177.663 175.900 0.058 0.000 1.092 749 Y CA -0.240 57.899 58.100 0.064 0.000 1.277 749 Y CB 0.036 38.535 38.460 0.064 0.000 1.228 749 Y HN 0.005 nan 8.280 nan 0.000 0.507 750 L N -0.147 121.182 121.223 0.176 0.000 2.042 750 L HA -0.197 4.144 4.340 0.001 0.000 0.210 750 L C 2.566 179.482 176.870 0.077 0.000 1.076 750 L CA 1.711 56.617 54.840 0.109 0.000 0.749 750 L CB -1.096 41.007 42.059 0.072 0.000 0.893 750 L HN 0.410 nan 8.230 nan 0.000 0.432 751 G N -0.555 108.312 108.800 0.112 0.000 2.442 751 G HA2 -0.237 3.723 3.960 0.001 0.000 0.219 751 G HA3 -0.237 3.723 3.960 0.001 0.000 0.219 751 G C 1.493 176.462 174.900 0.115 0.000 1.141 751 G CA 0.413 45.610 45.100 0.162 0.000 0.763 751 G HN 0.284 nan 8.290 nan 0.000 0.554 752 E N 0.318 120.587 120.200 0.115 0.000 2.152 752 E HA -0.015 4.336 4.350 0.001 0.000 0.192 752 E C 2.615 179.249 176.600 0.056 0.000 0.983 752 E CA 0.293 56.752 56.400 0.098 0.000 0.818 752 E CB -0.118 29.662 29.700 0.133 0.000 0.758 752 E HN 0.546 nan 8.360 nan 0.000 0.467 753 I N 0.301 120.906 120.570 0.058 0.000 2.179 753 I HA -0.242 3.928 4.170 0.001 0.000 0.242 753 I C 2.426 178.468 176.117 -0.125 0.000 1.088 753 I CA 0.722 62.046 61.300 0.041 0.000 1.357 753 I CB -0.391 37.654 38.000 0.075 0.000 1.051 753 I HN -0.075 nan 8.210 nan 0.000 0.409 754 V N 0.894 120.679 119.914 -0.215 0.000 2.255 754 V HA -0.330 3.790 4.120 0.001 0.000 0.247 754 V C 2.672 178.515 176.094 -0.417 0.000 1.051 754 V CA 2.135 64.186 62.300 -0.415 0.000 1.018 754 V CB -0.784 30.697 31.823 -0.570 0.000 0.641 754 V HN 0.407 nan 8.190 nan 0.000 0.445 755 R N 0.084 120.415 120.500 -0.280 0.000 2.103 755 R HA -0.204 4.137 4.340 0.001 0.000 0.242 755 R C 2.231 178.500 176.300 -0.053 0.000 1.142 755 R CA 2.024 58.077 56.100 -0.079 0.000 0.960 755 R CB -0.291 30.085 30.300 0.127 0.000 0.858 755 R HN 0.568 nan 8.270 nan 0.000 0.439 756 N N 0.398 119.076 118.700 -0.036 0.000 2.142 756 N HA -0.126 4.614 4.740 0.001 0.000 0.186 756 N C 1.897 177.415 175.510 0.014 0.000 1.023 756 N CA 1.363 54.448 53.050 0.058 0.000 0.852 756 N CB -0.109 38.477 38.487 0.165 0.000 0.998 756 N HN 0.291 nan 8.380 nan 0.000 0.424 757 I N 1.332 121.714 120.570 -0.314 0.000 2.226 757 I HA -0.238 3.933 4.170 0.001 0.000 0.245 757 I C 2.147 177.917 176.117 -0.578 0.000 1.100 757 I CA 0.868 61.724 61.300 -0.740 0.000 1.374 757 I CB -0.238 37.172 38.000 -0.984 0.000 1.057 757 I HN 0.052 nan 8.210 nan 0.000 0.413 758 L N 0.266 121.295 121.223 -0.324 0.000 2.046 758 L HA -0.208 4.132 4.340 0.001 0.000 0.208 758 L C 2.560 179.463 176.870 0.055 0.000 1.077 758 L CA 1.439 56.228 54.840 -0.085 0.000 0.747 758 L CB -0.549 41.541 42.059 0.051 0.000 0.896 758 L HN 0.220 nan 8.230 nan 0.000 0.432 759 I N 0.091 120.689 120.570 0.047 0.000 2.163 759 I HA -0.332 3.838 4.170 0.001 0.000 0.243 759 I C 2.183 178.349 176.117 0.082 0.000 1.085 759 I CA 1.434 62.785 61.300 0.086 0.000 1.347 759 I CB -0.381 37.657 38.000 0.064 0.000 1.044 759 I HN 0.252 nan 8.210 nan 0.000 0.408 760 D N 0.554 120.997 120.400 0.072 0.000 2.123 760 D HA -0.173 4.468 4.640 0.001 0.000 0.196 760 D C 2.196 178.584 176.300 0.146 0.000 0.992 760 D CA 1.474 55.540 54.000 0.109 0.000 0.833 760 D CB -0.303 40.615 40.800 0.198 0.000 0.954 760 D HN 0.332 nan 8.370 nan 0.000 0.455 761 F N 0.540 120.492 119.950 0.004 0.000 2.186 761 F HA -0.157 4.371 4.527 0.001 0.000 0.299 761 F C 2.516 178.211 175.800 -0.174 0.000 1.090 761 F CA 0.730 58.690 58.000 -0.066 0.000 1.307 761 F CB -0.148 38.910 39.000 0.096 0.000 1.019 761 F HN -0.054 nan 8.300 nan 0.000 0.489 762 T N -0.081 114.559 114.554 0.144 0.000 2.821 762 T HA -0.158 4.193 4.350 0.001 0.000 0.267 762 T C 1.720 176.426 174.700 0.010 0.000 1.046 762 T CA 1.051 63.212 62.100 0.101 0.000 1.139 762 T CB -0.196 68.812 68.868 0.233 0.000 0.871 762 T HN 0.215 nan 8.240 nan 0.000 0.454 763 K N 0.958 121.354 120.400 -0.007 0.000 2.148 763 K HA 0.014 4.335 4.320 0.001 0.000 0.204 763 K C 2.086 178.605 176.600 -0.135 0.000 1.050 763 K CA 0.880 57.144 56.287 -0.040 0.000 0.942 763 K CB -0.022 32.471 32.500 -0.012 0.000 0.724 763 K HN 0.221 nan 8.250 nan 0.000 0.446 764 K N -0.267 119.952 120.400 -0.301 0.000 2.487 764 K HA 0.004 4.325 4.320 0.001 0.000 0.192 764 K C 0.711 176.942 176.600 -0.615 0.000 1.027 764 K CA 0.493 56.434 56.287 -0.576 0.000 1.054 764 K CB 0.447 32.302 32.500 -1.076 0.000 0.824 764 K HN 0.364 nan 8.250 nan 0.000 0.510 765 G N 0.960 109.556 108.800 -0.340 0.000 2.136 765 G HA2 -0.234 3.727 3.960 0.001 0.000 0.242 765 G HA3 -0.234 3.727 3.960 0.001 0.000 0.242 765 G C 0.401 175.314 174.900 0.022 0.000 0.989 765 G CA 0.012 45.043 45.100 -0.114 0.000 0.682 765 G HN 0.255 nan 8.290 nan 0.000 0.522 766 F N -0.337 119.587 119.950 -0.043 0.000 2.743 766 F HA 0.537 5.065 4.527 0.001 0.000 0.297 766 F C 1.428 177.139 175.800 -0.148 0.000 1.131 766 F CA -0.247 57.680 58.000 -0.123 0.000 1.426 766 F CB 0.067 38.913 39.000 -0.257 0.000 1.116 766 F HN 0.189 nan 8.300 nan 0.000 0.583 767 L N -1.383 119.838 121.223 -0.004 0.000 2.465 767 L HA 0.288 4.629 4.340 0.001 0.000 0.257 767 L C -0.541 176.237 176.870 -0.153 0.000 0.988 767 L CA -1.047 53.630 54.840 -0.271 0.000 0.827 767 L CB 2.081 43.833 42.059 -0.511 0.000 1.397 767 L HN -0.184 nan 8.230 nan 0.000 0.410 768 F N 1.026 121.023 119.950 0.078 0.000 3.105 768 F HA -0.287 4.241 4.527 0.001 0.000 0.280 768 F C 1.270 177.096 175.800 0.043 0.000 0.894 768 F CA 1.093 59.127 58.000 0.057 0.000 0.992 768 F CB -1.883 37.151 39.000 0.057 0.000 1.047 768 F HN 0.728 nan 8.300 nan 0.000 0.607 769 R N -2.154 118.440 120.500 0.156 0.000 3.951 769 R HA -0.159 4.181 4.340 0.001 0.000 0.352 769 R C 1.393 177.748 176.300 0.091 0.000 1.178 769 R CA 1.035 57.198 56.100 0.106 0.000 0.949 769 R CB -1.914 28.445 30.300 0.100 0.000 1.452 769 R HN 1.495 nan 8.270 nan 0.000 0.540 770 G N -0.522 108.337 108.800 0.100 0.000 2.159 770 G HA2 -0.317 3.644 3.960 0.001 0.000 0.256 770 G HA3 -0.317 3.644 3.960 0.001 0.000 0.256 770 G C -0.134 174.817 174.900 0.085 0.000 0.977 770 G CA 0.356 45.497 45.100 0.069 0.000 0.652 770 G HN 0.247 nan 8.290 nan 0.000 0.531 771 Q N 0.691 120.563 119.800 0.120 0.000 2.441 771 Q HA 0.348 4.689 4.340 0.001 0.000 0.234 771 Q C 0.745 176.799 176.000 0.089 0.000 1.078 771 Q CA -0.274 55.582 55.803 0.088 0.000 0.907 771 Q CB 0.610 29.390 28.738 0.070 0.000 1.269 771 Q HN 0.465 nan 8.270 nan 0.000 0.502 772 I N 2.923 123.533 120.570 0.067 0.000 2.349 772 I HA -0.016 4.154 4.170 0.001 0.000 0.302 772 I C 1.176 177.300 176.117 0.011 0.000 1.180 772 I CA 0.178 61.511 61.300 0.055 0.000 1.405 772 I CB -0.896 37.134 38.000 0.051 0.000 1.474 772 I HN 0.357 nan 8.210 nan 0.000 0.632 773 S N 5.056 120.741 115.700 -0.026 0.000 2.596 773 S HA 0.124 4.595 4.470 0.001 0.000 0.260 773 S C 1.087 175.662 174.600 -0.042 0.000 1.336 773 S CA -0.427 57.742 58.200 -0.050 0.000 0.993 773 S CB 1.524 64.664 63.200 -0.101 0.000 0.923 773 S HN 0.515 nan 8.310 nan 0.000 0.567 774 E N 0.655 120.829 120.200 -0.044 0.000 2.274 774 E HA -0.055 4.295 4.350 0.001 0.000 0.194 774 E C 1.977 178.546 176.600 -0.052 0.000 0.996 774 E CA 1.047 57.425 56.400 -0.037 0.000 0.840 774 E CB -0.683 28.998 29.700 -0.031 0.000 0.772 774 E HN 0.784 nan 8.360 nan 0.000 0.491 775 T N 1.651 116.158 114.554 -0.078 0.000 2.777 775 T HA -0.127 4.223 4.350 0.001 0.000 0.266 775 T C 1.814 176.462 174.700 -0.086 0.000 1.040 775 T CA 0.613 62.652 62.100 -0.101 0.000 1.141 775 T CB -0.160 68.621 68.868 -0.144 0.000 0.868 775 T HN 0.037 nan 8.240 nan 0.000 0.444 776 L N 1.073 122.253 121.223 -0.072 0.000 2.201 776 L HA 0.077 4.418 4.340 0.001 0.000 0.212 776 L C 1.819 178.698 176.870 0.014 0.000 1.105 776 L CA 1.695 56.528 54.840 -0.012 0.000 0.775 776 L CB -0.388 41.673 42.059 0.002 0.000 0.913 776 L HN 0.076 nan 8.230 nan 0.000 0.440 777 K N -1.092 119.304 120.400 -0.006 0.000 2.458 777 K HA 0.109 4.430 4.320 0.001 0.000 0.194 777 K C 0.008 176.602 176.600 -0.009 0.000 1.024 777 K CA 0.052 56.336 56.287 -0.005 0.000 1.108 777 K CB -0.081 32.417 32.500 -0.004 0.000 0.846 777 K HN 0.245 nan 8.250 nan 0.000 0.518 778 T N 2.989 117.534 114.554 -0.016 0.000 2.728 778 T HA 0.124 4.475 4.350 0.001 0.000 0.296 778 T C 0.063 174.760 174.700 -0.005 0.000 0.940 778 T CA -0.637 61.452 62.100 -0.018 0.000 1.013 778 T CB 0.670 69.513 68.868 -0.042 0.000 0.912 778 T HN 0.317 nan 8.240 nan 0.000 0.484 779 R N 2.036 122.539 120.500 0.006 0.000 2.643 779 R HA 0.456 4.796 4.340 0.001 0.000 0.270 779 R C 1.020 177.332 176.300 0.019 0.000 1.061 779 R CA 0.295 56.409 56.100 0.023 0.000 1.107 779 R CB -0.121 30.200 30.300 0.034 0.000 0.999 779 R HN 0.811 nan 8.270 nan 0.000 0.460 780 G N 2.234 111.057 108.800 0.039 0.000 2.175 780 G HA2 -0.234 3.726 3.960 0.001 0.000 0.244 780 G HA3 -0.234 3.726 3.960 0.001 0.000 0.244 780 G C 0.717 175.631 174.900 0.024 0.000 0.982 780 G CA 0.132 45.252 45.100 0.034 0.000 0.641 780 G HN 0.585 nan 8.290 nan 0.000 0.527 781 I N -0.163 120.401 120.570 -0.010 0.000 2.361 781 I HA 0.029 4.200 4.170 0.001 0.000 0.251 781 I C 1.478 177.468 176.117 -0.212 0.000 1.133 781 I CA 1.067 62.267 61.300 -0.168 0.000 1.413 781 I CB -0.781 37.057 38.000 -0.270 0.000 1.073 781 I HN 0.212 nan 8.210 nan 0.000 0.424 782 F N 2.436 122.399 119.950 0.021 0.000 2.660 782 F HA 0.198 4.725 4.527 0.001 0.000 0.342 782 F C 1.018 176.895 175.800 0.128 0.000 1.195 782 F CA -0.579 57.469 58.000 0.081 0.000 1.300 782 F CB -0.620 38.416 39.000 0.060 0.000 1.616 782 F HN 0.056 nan 8.300 nan 0.000 0.592 783 E N -0.442 119.922 120.200 0.273 0.000 2.425 783 E HA -0.013 4.337 4.350 0.001 0.000 0.258 783 E C 1.293 177.999 176.600 0.178 0.000 1.151 783 E CA 0.099 56.629 56.400 0.215 0.000 0.958 783 E CB 0.488 30.338 29.700 0.250 0.000 0.968 783 E HN 0.296 nan 8.360 nan 0.000 0.451 784 T N 1.260 115.863 114.554 0.082 0.000 2.653 784 T HA -0.276 4.075 4.350 0.001 0.000 0.268 784 T C 1.689 176.387 174.700 -0.002 0.000 1.035 784 T CA 1.796 63.925 62.100 0.048 0.000 1.154 784 T CB -0.136 68.734 68.868 0.002 0.000 0.862 784 T HN 0.457 nan 8.240 nan 0.000 0.441 785 K N 0.025 120.351 120.400 -0.124 0.000 2.020 785 K HA -0.159 4.162 4.320 0.001 0.000 0.212 785 K C 1.982 178.380 176.600 -0.337 0.000 1.050 785 K CA 1.816 57.905 56.287 -0.330 0.000 0.929 785 K CB -0.340 31.770 32.500 -0.651 0.000 0.714 785 K HN 0.343 nan 8.250 nan 0.000 0.443 786 F N 0.986 120.944 119.950 0.014 0.000 2.186 786 F HA -0.149 4.378 4.527 0.001 0.000 0.299 786 F C 2.290 178.148 175.800 0.097 0.000 1.090 786 F CA 0.472 58.484 58.000 0.020 0.000 1.307 786 F CB -0.413 38.556 39.000 -0.053 0.000 1.019 786 F HN 0.058 nan 8.300 nan 0.000 0.489 787 L N -0.384 121.020 121.223 0.302 0.000 2.046 787 L HA -0.201 4.140 4.340 0.001 0.000 0.208 787 L C 2.370 179.338 176.870 0.164 0.000 1.077 787 L CA 1.707 56.718 54.840 0.285 0.000 0.747 787 L CB -1.273 40.952 42.059 0.276 0.000 0.896 787 L HN 0.132 nan 8.230 nan 0.000 0.432 788 S N -0.796 114.946 115.700 0.069 0.000 2.383 788 S HA -0.186 4.285 4.470 0.001 0.000 0.227 788 S C 1.794 176.300 174.600 -0.156 0.000 1.026 788 S CA 0.951 59.056 58.200 -0.158 0.000 0.981 788 S CB -0.020 63.100 63.200 -0.134 0.000 0.818 788 S HN 0.495 nan 8.310 nan 0.000 0.472 789 Q N 0.537 120.298 119.800 -0.065 0.000 2.046 789 Q HA 0.021 4.361 4.340 0.001 0.000 0.200 789 Q C 2.132 178.139 176.000 0.012 0.000 0.975 789 Q CA 1.177 56.958 55.803 -0.037 0.000 0.836 789 Q CB -0.314 28.422 28.738 -0.003 0.000 0.896 789 Q HN 0.492 nan 8.270 nan 0.000 0.428 790 I N 0.868 121.485 120.570 0.079 0.000 2.264 790 I HA -0.261 3.910 4.170 0.001 0.000 0.248 790 I C 1.636 177.791 176.117 0.063 0.000 1.111 790 I CA 1.270 62.631 61.300 0.102 0.000 1.382 790 I CB -0.128 37.981 38.000 0.181 0.000 1.060 790 I HN 0.238 nan 8.210 nan 0.000 0.418 791 E N 0.011 120.226 120.200 0.026 0.000 2.489 791 E HA -0.007 4.344 4.350 0.001 0.000 0.193 791 E C 0.832 177.426 176.600 -0.010 0.000 1.057 791 E CA -0.137 56.287 56.400 0.040 0.000 0.866 791 E CB 0.196 29.939 29.700 0.072 0.000 0.916 791 E HN 0.203 nan 8.360 nan 0.000 0.500 792 S N 1.551 117.204 115.700 -0.078 0.000 2.515 792 S HA -0.063 4.407 4.470 0.001 0.000 0.285 792 S C 0.700 175.289 174.600 -0.019 0.000 1.265 792 S CA -0.495 57.643 58.200 -0.103 0.000 1.079 792 S CB 0.480 63.620 63.200 -0.100 0.000 0.877 792 S HN 0.028 nan 8.310 nan 0.000 0.493 793 D N 4.175 124.579 120.400 0.007 0.000 2.149 793 D HA -0.139 4.502 4.640 0.001 0.000 0.194 793 D C 0.893 177.202 176.300 0.016 0.000 1.001 793 D CA 1.521 55.549 54.000 0.046 0.000 0.849 793 D CB -0.040 40.793 40.800 0.055 0.000 0.939 793 D HN 0.629 nan 8.370 nan 0.000 0.449 794 R N 0.024 120.521 120.500 -0.005 0.000 4.231 794 R HA 0.410 4.751 4.340 0.001 0.000 0.250 794 R C -0.515 175.779 176.300 -0.010 0.000 1.600 794 R CA -0.072 56.024 56.100 -0.008 0.000 1.523 794 R CB 0.204 30.495 30.300 -0.013 0.000 1.422 794 R HN 0.060 nan 8.270 nan 0.000 0.759 795 L N 0.921 122.143 121.223 -0.002 0.000 2.596 795 L HA 0.443 4.783 4.340 0.001 0.000 0.265 795 L C -0.594 176.282 176.870 0.010 0.000 0.962 795 L CA -0.700 54.142 54.840 0.002 0.000 0.891 795 L CB 1.877 43.938 42.059 0.002 0.000 1.248 795 L HN 0.329 nan 8.230 nan 0.000 0.410 796 A N 2.497 125.322 122.820 0.008 0.000 2.286 796 A HA 0.561 4.882 4.320 0.001 0.000 0.286 796 A C 1.292 178.885 177.584 0.015 0.000 1.097 796 A CA -0.373 51.670 52.037 0.010 0.000 0.821 796 A CB 0.675 19.678 19.000 0.004 0.000 1.076 796 A HN 0.874 nan 8.150 nan 0.000 0.490 797 L N 0.171 121.404 121.223 0.016 0.000 2.173 797 L HA -0.328 4.012 4.340 0.001 0.000 0.239 797 L C 2.105 178.990 176.870 0.025 0.000 1.123 797 L CA 2.490 57.343 54.840 0.021 0.000 0.847 797 L CB -1.442 40.626 42.059 0.014 0.000 0.940 797 L HN 0.601 nan 8.230 nan 0.000 0.450 798 L N -0.391 120.842 121.223 0.017 0.000 2.064 798 L HA -0.257 4.084 4.340 0.001 0.000 0.216 798 L C 2.830 179.713 176.870 0.022 0.000 1.077 798 L CA 2.001 56.851 54.840 0.017 0.000 0.766 798 L CB -0.749 41.316 42.059 0.009 0.000 0.890 798 L HN 0.494 nan 8.230 nan 0.000 0.435 799 Q N -1.283 118.530 119.800 0.022 0.000 2.172 799 Q HA -0.042 4.298 4.340 0.001 0.000 0.200 799 Q C 2.345 178.370 176.000 0.041 0.000 0.964 799 Q CA 1.503 57.322 55.803 0.027 0.000 0.855 799 Q CB -0.497 28.253 28.738 0.020 0.000 0.918 799 Q HN 0.494 nan 8.270 nan 0.000 0.444 800 V N 1.182 121.125 119.914 0.048 0.000 2.307 800 V HA -0.213 3.907 4.120 0.001 0.000 0.245 800 V C 2.527 178.665 176.094 0.074 0.000 1.045 800 V CA 1.869 64.211 62.300 0.070 0.000 1.024 800 V CB -0.598 31.270 31.823 0.074 0.000 0.651 800 V HN 0.291 nan 8.190 nan 0.000 0.449 801 R N 0.332 120.870 120.500 0.063 0.000 2.081 801 R HA -0.172 4.168 4.340 0.001 0.000 0.235 801 R C 2.360 178.684 176.300 0.040 0.000 1.131 801 R CA 1.652 57.790 56.100 0.063 0.000 0.960 801 R CB -0.506 29.826 30.300 0.054 0.000 0.856 801 R HN 0.475 nan 8.270 nan 0.000 0.436 802 A N 1.319 124.157 122.820 0.031 0.000 1.892 802 A HA -0.214 4.106 4.320 0.001 0.000 0.218 802 A C 2.160 179.752 177.584 0.014 0.000 1.188 802 A CA 1.889 53.937 52.037 0.019 0.000 0.631 802 A CB -0.644 18.369 19.000 0.021 0.000 0.822 802 A HN 0.390 nan 8.150 nan 0.000 0.447 803 I N -0.603 119.987 120.570 0.033 0.000 2.142 803 I HA -0.262 3.908 4.170 0.001 0.000 0.240 803 I C 2.454 178.545 176.117 -0.043 0.000 1.078 803 I CA 1.287 62.604 61.300 0.029 0.000 1.343 803 I CB -0.457 37.603 38.000 0.100 0.000 1.046 803 I HN 0.281 nan 8.210 nan 0.000 0.405 804 L N 0.041 121.261 121.223 -0.005 0.000 2.042 804 L HA -0.267 4.073 4.340 0.001 0.000 0.210 804 L C 2.713 179.529 176.870 -0.089 0.000 1.076 804 L CA 1.512 56.334 54.840 -0.031 0.000 0.749 804 L CB -0.552 41.566 42.059 0.099 0.000 0.893 804 L HN 0.318 nan 8.230 nan 0.000 0.432 805 Q N -0.281 119.489 119.800 -0.050 0.000 2.084 805 Q HA -0.248 4.093 4.340 0.001 0.000 0.202 805 Q C 2.271 178.215 176.000 -0.094 0.000 0.978 805 Q CA 1.555 57.319 55.803 -0.066 0.000 0.844 805 Q CB 0.047 28.768 28.738 -0.028 0.000 0.898 805 Q HN 0.473 nan 8.270 nan 0.000 0.426 806 Q N -0.302 119.445 119.800 -0.088 0.000 2.226 806 Q HA -0.139 4.202 4.340 0.001 0.000 0.204 806 Q C 2.001 177.897 176.000 -0.173 0.000 0.975 806 Q CA 1.064 56.806 55.803 -0.102 0.000 0.866 806 Q CB 0.029 28.727 28.738 -0.066 0.000 0.915 806 Q HN 0.406 nan 8.270 nan 0.000 0.440 807 L N -1.614 119.460 121.223 -0.249 0.000 2.072 807 L HA -0.011 4.330 4.340 0.001 0.000 0.205 807 L C 1.377 178.094 176.870 -0.255 0.000 1.079 807 L CA 1.093 55.725 54.840 -0.347 0.000 0.752 807 L CB 0.025 41.791 42.059 -0.488 0.000 0.906 807 L HN 0.424 nan 8.230 nan 0.000 0.436 808 G N -0.738 107.933 108.800 -0.216 0.000 2.363 808 G HA2 -0.022 3.938 3.960 0.001 0.000 0.213 808 G HA3 -0.022 3.938 3.960 0.001 0.000 0.213 808 G C -0.362 174.413 174.900 -0.208 0.000 1.028 808 G CA -0.748 44.244 45.100 -0.180 0.000 0.822 808 G HN 0.042 nan 8.290 nan 0.000 0.536 809 L N 1.525 122.601 121.223 -0.245 0.000 2.329 809 L HA 0.454 4.795 4.340 0.001 0.000 0.279 809 L C -0.013 176.695 176.870 -0.269 0.000 1.014 809 L CA -1.361 53.255 54.840 -0.373 0.000 0.814 809 L CB 1.652 43.365 42.059 -0.577 0.000 1.257 809 L HN 0.248 nan 8.230 nan 0.000 0.424 810 N N 0.944 119.485 118.700 -0.265 0.000 3.050 810 N HA 0.039 4.779 4.740 0.001 0.000 0.289 810 N C -0.721 174.852 175.510 0.105 0.000 1.209 810 N CA -0.227 52.784 53.050 -0.065 0.000 1.154 810 N CB 0.267 38.741 38.487 -0.022 0.000 1.444 810 N HN 0.377 nan 8.380 nan 0.000 0.529 811 S N 0.315 116.100 115.700 0.141 0.000 2.541 811 S HA 0.494 4.964 4.470 0.001 0.000 0.283 811 S C 0.785 175.493 174.600 0.180 0.000 1.196 811 S CA -0.771 57.620 58.200 0.319 0.000 1.062 811 S CB 1.376 64.787 63.200 0.351 0.000 1.009 811 S HN 0.695 nan 8.310 nan 0.000 0.502 812 T N -1.608 113.046 114.554 0.167 0.000 2.893 812 T HA 0.306 4.656 4.350 0.001 0.000 0.279 812 T C 1.275 176.017 174.700 0.071 0.000 0.991 812 T CA -0.601 61.554 62.100 0.092 0.000 0.950 812 T CB 0.270 69.179 68.868 0.069 0.000 1.223 812 T HN 0.501 nan 8.240 nan 0.000 0.585 813 C N 0.259 119.585 119.300 0.043 0.000 2.446 813 C HA -0.008 4.453 4.460 0.001 0.000 0.277 813 C C 2.633 177.636 174.990 0.022 0.000 1.275 813 C CA 0.895 59.932 59.018 0.031 0.000 1.727 813 C CB -1.247 26.503 27.740 0.017 0.000 2.010 813 C HN 0.886 nan 8.230 nan 0.000 0.486 814 D N 0.686 121.094 120.400 0.014 0.000 2.144 814 D HA -0.100 4.541 4.640 0.001 0.000 0.200 814 D C 1.700 177.985 176.300 -0.024 0.000 0.978 814 D CA 1.227 55.224 54.000 -0.005 0.000 0.833 814 D CB -0.478 40.320 40.800 -0.003 0.000 0.961 814 D HN 0.474 nan 8.370 nan 0.000 0.470 815 D N -0.026 120.361 120.400 -0.020 0.000 2.104 815 D HA -0.090 4.551 4.640 0.001 0.000 0.194 815 D C 2.134 178.431 176.300 -0.005 0.000 0.994 815 D CA 0.866 54.818 54.000 -0.080 0.000 0.830 815 D CB -0.318 40.469 40.800 -0.021 0.000 0.959 815 D HN 0.015 nan 8.370 nan 0.000 0.452 816 S N 0.217 115.956 115.700 0.065 0.000 2.383 816 S HA -0.104 4.367 4.470 0.001 0.000 0.229 816 S C 2.199 176.831 174.600 0.052 0.000 1.030 816 S CA 0.541 58.793 58.200 0.088 0.000 1.002 816 S CB -0.172 63.080 63.200 0.086 0.000 0.829 816 S HN 0.284 nan 8.310 nan 0.000 0.467 817 I N 0.849 121.431 120.570 0.020 0.000 2.226 817 I HA -0.161 4.010 4.170 0.001 0.000 0.245 817 I C 2.297 178.405 176.117 -0.015 0.000 1.100 817 I CA 0.810 62.109 61.300 -0.001 0.000 1.374 817 I CB -0.327 37.661 38.000 -0.020 0.000 1.057 817 I HN 0.248 nan 8.210 nan 0.000 0.413 818 L N 0.521 121.727 121.223 -0.028 0.000 2.093 818 L HA -0.100 4.240 4.340 0.001 0.000 0.208 818 L C 2.363 179.241 176.870 0.014 0.000 1.085 818 L CA 1.670 56.494 54.840 -0.027 0.000 0.755 818 L CB -0.490 41.537 42.059 -0.053 0.000 0.904 818 L HN -0.036 nan 8.230 nan 0.000 0.435 819 V N 0.074 120.005 119.914 0.028 0.000 2.295 819 V HA -0.327 3.794 4.120 0.001 0.000 0.246 819 V C 2.651 178.771 176.094 0.042 0.000 1.049 819 V CA 2.175 64.512 62.300 0.063 0.000 1.024 819 V CB -0.722 31.206 31.823 0.174 0.000 0.648 819 V HN 0.540 nan 8.190 nan 0.000 0.447 820 K N -0.289 120.142 120.400 0.053 0.000 2.063 820 K HA -0.202 4.119 4.320 0.001 0.000 0.208 820 K C 2.163 178.773 176.600 0.016 0.000 1.048 820 K CA 2.037 58.352 56.287 0.048 0.000 0.928 820 K CB -0.340 32.189 32.500 0.048 0.000 0.713 820 K HN 0.504 nan 8.250 nan 0.000 0.442 821 T N 0.683 115.234 114.554 -0.006 0.000 2.684 821 T HA -0.131 4.219 4.350 0.001 0.000 0.267 821 T C 1.853 176.524 174.700 -0.047 0.000 1.036 821 T CA 1.539 63.623 62.100 -0.026 0.000 1.148 821 T CB -0.205 68.641 68.868 -0.037 0.000 0.863 821 T HN 0.017 nan 8.240 nan 0.000 0.436 822 V N 0.887 120.767 119.914 -0.056 0.000 2.287 822 V HA -0.227 3.893 4.120 0.001 0.000 0.248 822 V C 2.864 178.844 176.094 -0.190 0.000 1.053 822 V CA 1.469 63.679 62.300 -0.149 0.000 1.027 822 V CB -0.828 30.888 31.823 -0.178 0.000 0.646 822 V HN 0.616 nan 8.190 nan 0.000 0.447 823 C N 0.679 119.907 119.300 -0.121 0.000 2.413 823 C HA -0.123 4.338 4.460 0.001 0.000 0.276 823 C C 2.942 177.928 174.990 -0.008 0.000 1.236 823 C CA 1.010 59.989 59.018 -0.064 0.000 1.735 823 C CB -1.705 26.056 27.740 0.034 0.000 2.031 823 C HN 0.704 nan 8.230 nan 0.000 0.474 824 G N -0.098 108.710 108.800 0.012 0.000 2.422 824 G HA2 -0.145 3.816 3.960 0.001 0.000 0.218 824 G HA3 -0.145 3.816 3.960 0.001 0.000 0.218 824 G C 1.662 176.545 174.900 -0.027 0.000 1.146 824 G CA 1.243 46.362 45.100 0.032 0.000 0.769 824 G HN 0.412 nan 8.290 nan 0.000 0.547 825 V N 0.389 120.252 119.914 -0.084 0.000 2.343 825 V HA -0.151 3.969 4.120 0.001 0.000 0.247 825 V C 2.991 179.005 176.094 -0.133 0.000 1.051 825 V CA 1.439 63.676 62.300 -0.105 0.000 1.036 825 V CB -0.236 31.485 31.823 -0.169 0.000 0.654 825 V HN 0.251 nan 8.190 nan 0.000 0.451 826 V N 0.828 120.611 119.914 -0.218 0.000 2.379 826 V HA -0.188 3.933 4.120 0.001 0.000 0.245 826 V C 2.683 178.751 176.094 -0.045 0.000 1.044 826 V CA 2.189 64.387 62.300 -0.171 0.000 1.036 826 V CB -0.572 31.114 31.823 -0.228 0.000 0.664 826 V HN 0.760 nan 8.190 nan 0.000 0.453 827 S N 0.696 116.371 115.700 -0.041 0.000 2.387 827 S HA -0.235 4.236 4.470 0.001 0.000 0.226 827 S C 2.087 176.651 174.600 -0.061 0.000 1.026 827 S CA 1.401 59.568 58.200 -0.056 0.000 0.972 827 S CB -0.518 62.573 63.200 -0.181 0.000 0.814 827 S HN 0.581 nan 8.310 nan 0.000 0.477 828 R N 1.537 122.008 120.500 -0.049 0.000 2.096 828 R HA 0.015 4.355 4.340 0.001 0.000 0.235 828 R C 2.671 178.916 176.300 -0.092 0.000 1.127 828 R CA 1.272 57.322 56.100 -0.084 0.000 0.968 828 R CB -0.293 29.973 30.300 -0.056 0.000 0.861 828 R HN 0.498 nan 8.270 nan 0.000 0.440 829 R N -0.046 120.439 120.500 -0.025 0.000 2.115 829 R HA -0.051 4.290 4.340 0.001 0.000 0.230 829 R C 2.034 178.321 176.300 -0.021 0.000 1.111 829 R CA 1.262 57.364 56.100 0.004 0.000 0.976 829 R CB -0.193 30.186 30.300 0.131 0.000 0.870 829 R HN 0.317 nan 8.270 nan 0.000 0.445 830 A N 0.709 123.529 122.820 0.001 0.000 1.898 830 A HA -0.057 4.263 4.320 0.001 0.000 0.216 830 A C 2.305 179.839 177.584 -0.083 0.000 1.181 830 A CA 1.510 53.577 52.037 0.050 0.000 0.620 830 A CB -0.630 18.498 19.000 0.213 0.000 0.819 830 A HN 0.497 nan 8.150 nan 0.000 0.442 831 A N -0.670 121.891 122.820 -0.433 0.000 1.969 831 A HA -0.169 4.151 4.320 0.001 0.000 0.218 831 A C 2.099 179.410 177.584 -0.455 0.000 1.169 831 A CA 1.535 52.958 52.037 -1.023 0.000 0.635 831 A CB -0.482 17.839 19.000 -1.132 0.000 0.810 831 A HN 0.661 nan 8.150 nan 0.000 0.445 832 Q N -0.488 119.161 119.800 -0.252 0.000 2.119 832 Q HA -0.020 4.320 4.340 0.001 0.000 0.201 832 Q C 2.023 177.980 176.000 -0.071 0.000 0.972 832 Q CA 1.178 56.896 55.803 -0.142 0.000 0.847 832 Q CB -0.276 28.396 28.738 -0.111 0.000 0.903 832 Q HN 0.659 nan 8.270 nan 0.000 0.433 833 L N -0.131 121.062 121.223 -0.051 0.000 2.056 833 L HA -0.217 4.124 4.340 0.001 0.000 0.207 833 L C 2.711 179.597 176.870 0.027 0.000 1.078 833 L CA 0.749 55.609 54.840 0.033 0.000 0.749 833 L CB -0.511 41.558 42.059 0.016 0.000 0.901 833 L HN 0.415 nan 8.230 nan 0.000 0.433 834 C N 0.376 119.650 119.300 -0.042 0.000 2.413 834 C HA -0.127 4.333 4.460 0.001 0.000 0.276 834 C C 2.907 177.980 174.990 0.139 0.000 1.248 834 C CA 1.019 60.078 59.018 0.068 0.000 1.742 834 C CB -1.298 26.590 27.740 0.247 0.000 2.017 834 C HN 0.670 nan 8.230 nan 0.000 0.481 835 G N -0.076 108.754 108.800 0.051 0.000 2.440 835 G HA2 -0.074 3.886 3.960 0.001 0.000 0.218 835 G HA3 -0.074 3.886 3.960 0.001 0.000 0.218 835 G C 1.968 176.927 174.900 0.099 0.000 1.154 835 G CA 1.129 46.278 45.100 0.083 0.000 0.767 835 G HN 0.756 nan 8.290 nan 0.000 0.552 836 A N 0.751 123.606 122.820 0.058 0.000 1.933 836 A HA 0.184 4.504 4.320 0.001 0.000 0.218 836 A C 2.682 180.274 177.584 0.013 0.000 1.175 836 A CA 2.048 54.109 52.037 0.042 0.000 0.628 836 A CB -0.929 18.099 19.000 0.046 0.000 0.814 836 A HN 0.509 nan 8.150 nan 0.000 0.444 837 G N -0.869 107.913 108.800 -0.030 0.000 2.402 837 G HA2 -0.152 3.809 3.960 0.001 0.000 0.216 837 G HA3 -0.152 3.809 3.960 0.001 0.000 0.216 837 G C 1.500 176.503 174.900 0.171 0.000 1.162 837 G CA 1.384 46.360 45.100 -0.208 0.000 0.777 837 G HN 0.443 nan 8.290 nan 0.000 0.539 838 M N 1.696 121.510 119.600 0.356 0.000 2.229 838 M HA 0.251 4.732 4.480 0.001 0.000 0.264 838 M C 2.569 178.995 176.300 0.211 0.000 1.063 838 M CA 1.340 56.888 55.300 0.413 0.000 1.114 838 M CB -0.411 32.495 32.600 0.509 0.000 1.387 838 M HN 0.207 nan 8.290 nan 0.000 0.420 839 A N -0.229 122.678 122.820 0.145 0.000 1.972 839 A HA 0.042 4.363 4.320 0.001 0.000 0.219 839 A C 2.363 179.961 177.584 0.024 0.000 1.169 839 A CA 1.921 54.005 52.037 0.079 0.000 0.635 839 A CB -1.333 17.703 19.000 0.060 0.000 0.810 839 A HN 0.632 nan 8.150 nan 0.000 0.446 840 A N -0.477 122.344 122.820 0.001 0.000 1.858 840 A HA -0.002 4.318 4.320 0.001 0.000 0.216 840 A C 2.236 179.766 177.584 -0.091 0.000 1.190 840 A CA 1.804 53.809 52.037 -0.053 0.000 0.617 840 A CB -1.018 17.923 19.000 -0.099 0.000 0.827 840 A HN 0.395 nan 8.150 nan 0.000 0.443 841 V N 0.433 120.297 119.914 -0.083 0.000 2.255 841 V HA -0.269 3.851 4.120 0.001 0.000 0.247 841 V C 2.771 178.746 176.094 -0.198 0.000 1.051 841 V CA 2.188 64.348 62.300 -0.233 0.000 1.018 841 V CB -1.135 30.600 31.823 -0.146 0.000 0.641 841 V HN 0.603 nan 8.190 nan 0.000 0.445 842 V N -1.905 117.959 119.914 -0.083 0.000 2.427 842 V HA -0.180 3.940 4.120 0.001 0.000 0.248 842 V C 2.137 178.193 176.094 -0.064 0.000 1.051 842 V CA 2.273 64.531 62.300 -0.070 0.000 1.048 842 V CB -0.852 30.948 31.823 -0.039 0.000 0.666 842 V HN 0.421 nan 8.190 nan 0.000 0.456 843 D N 0.527 120.897 120.400 -0.051 0.000 2.178 843 D HA -0.131 4.510 4.640 0.001 0.000 0.202 843 D C 2.128 178.395 176.300 -0.056 0.000 0.974 843 D CA 1.624 55.599 54.000 -0.042 0.000 0.841 843 D CB -0.118 40.664 40.800 -0.029 0.000 0.953 843 D HN 0.609 nan 8.370 nan 0.000 0.478 844 K N 0.382 120.727 120.400 -0.092 0.000 2.026 844 K HA -0.101 4.219 4.320 0.001 0.000 0.208 844 K C 2.225 178.786 176.600 -0.066 0.000 1.048 844 K CA 0.875 57.107 56.287 -0.092 0.000 0.929 844 K CB -0.127 32.277 32.500 -0.160 0.000 0.713 844 K HN 0.082 nan 8.250 nan 0.000 0.439 845 I N 0.686 121.205 120.570 -0.084 0.000 2.208 845 I HA -0.305 3.866 4.170 0.001 0.000 0.245 845 I C 2.795 178.901 176.117 -0.017 0.000 1.097 845 I CA 1.273 62.558 61.300 -0.025 0.000 1.363 845 I CB -0.297 37.693 38.000 -0.017 0.000 1.051 845 I HN 0.267 nan 8.210 nan 0.000 0.413 846 R N 1.242 121.725 120.500 -0.028 0.000 2.070 846 R HA -0.192 4.148 4.340 0.001 0.000 0.233 846 R C 2.187 178.478 176.300 -0.014 0.000 1.137 846 R CA 1.853 57.941 56.100 -0.020 0.000 0.945 846 R CB -0.166 30.121 30.300 -0.021 0.000 0.845 846 R HN 0.370 nan 8.270 nan 0.000 0.430 847 E N 0.125 120.315 120.200 -0.017 0.000 2.085 847 E HA -0.192 4.158 4.350 0.001 0.000 0.194 847 E C 1.863 178.459 176.600 -0.008 0.000 0.994 847 E CA 1.607 57.999 56.400 -0.013 0.000 0.801 847 E CB -0.235 29.456 29.700 -0.016 0.000 0.743 847 E HN 0.540 nan 8.360 nan 0.000 0.453 848 N N 0.566 119.263 118.700 -0.006 0.000 2.166 848 N HA -0.128 4.612 4.740 0.001 0.000 0.186 848 N C 1.386 176.897 175.510 0.002 0.000 1.019 848 N CA 0.585 53.637 53.050 0.002 0.000 0.856 848 N CB -0.002 38.494 38.487 0.015 0.000 0.993 848 N HN 0.037 nan 8.380 nan 0.000 0.426 849 R N 0.375 120.875 120.500 0.000 0.000 2.335 849 R HA 0.114 4.455 4.340 0.001 0.000 0.223 849 R C 0.637 176.935 176.300 -0.004 0.000 0.940 849 R CA 0.136 56.235 56.100 -0.001 0.000 1.086 849 R CB 0.333 30.631 30.300 -0.002 0.000 1.073 849 R HN 0.132 nan 8.270 nan 0.000 0.504 850 G N 1.752 110.550 108.800 -0.004 0.000 2.295 850 G HA2 -0.275 3.686 3.960 0.001 0.000 0.287 850 G HA3 -0.275 3.686 3.960 0.001 0.000 0.287 850 G C -0.130 174.767 174.900 -0.005 0.000 1.055 850 G CA 0.058 45.155 45.100 -0.004 0.000 0.922 850 G HN 0.204 nan 8.290 nan 0.000 0.503 851 L N -0.546 120.673 121.223 -0.007 0.000 2.325 851 L HA 0.458 4.799 4.340 0.001 0.000 0.278 851 L C 0.861 177.726 176.870 -0.008 0.000 1.023 851 L CA -1.188 53.647 54.840 -0.008 0.000 0.811 851 L CB 1.268 43.321 42.059 -0.010 0.000 1.249 851 L HN -0.049 nan 8.230 nan 0.000 0.431 852 D N 0.912 121.308 120.400 -0.007 0.000 2.183 852 D HA 0.016 4.656 4.640 0.001 0.000 0.203 852 D C 0.474 176.770 176.300 -0.006 0.000 0.969 852 D CA 1.196 55.193 54.000 -0.006 0.000 0.842 852 D CB 0.371 41.168 40.800 -0.004 0.000 0.957 852 D HN 0.278 nan 8.370 nan 0.000 0.484 853 R N -0.127 120.369 120.500 -0.008 0.000 2.698 853 R HA 0.480 4.821 4.340 0.001 0.000 0.275 853 R C -1.315 174.976 176.300 -0.013 0.000 1.001 853 R CA -0.856 55.239 56.100 -0.009 0.000 0.896 853 R CB 2.157 32.452 30.300 -0.008 0.000 1.218 853 R HN -0.010 nan 8.270 nan 0.000 0.462 854 L N 1.923 123.136 121.223 -0.017 0.000 2.385 854 L HA 0.523 4.863 4.340 0.001 0.000 0.273 854 L C -1.139 175.713 176.870 -0.031 0.000 0.990 854 L CA -0.326 54.499 54.840 -0.024 0.000 0.821 854 L CB 1.792 43.835 42.059 -0.027 0.000 1.279 854 L HN 0.405 nan 8.230 nan 0.000 0.412 855 N N 4.422 123.101 118.700 -0.035 0.000 2.469 855 N HA 0.505 5.246 4.740 0.001 0.000 0.253 855 N C -1.389 174.087 175.510 -0.057 0.000 0.970 855 N CA -0.117 52.907 53.050 -0.044 0.000 0.940 855 N CB 2.230 40.697 38.487 -0.034 0.000 1.128 855 N HN 0.456 nan 8.380 nan 0.000 0.503 856 V N 1.762 121.625 119.914 -0.084 0.000 2.971 856 V HA 0.544 4.664 4.120 0.001 0.000 0.309 856 V C -0.653 175.348 176.094 -0.155 0.000 1.130 856 V CA -0.317 61.922 62.300 -0.101 0.000 0.964 856 V CB 2.415 34.182 31.823 -0.094 0.000 1.029 856 V HN 0.553 nan 8.190 nan 0.000 0.427 857 T N 4.821 119.289 114.554 -0.143 0.000 2.855 857 T HA 0.654 5.005 4.350 0.001 0.000 0.281 857 T C -0.797 173.784 174.700 -0.198 0.000 1.007 857 T CA -0.322 61.672 62.100 -0.177 0.000 1.009 857 T CB 1.565 70.371 68.868 -0.103 0.000 0.983 857 T HN 0.579 nan 8.240 nan 0.000 0.455 858 V N 2.509 122.250 119.914 -0.289 0.000 2.384 858 V HA 0.630 4.750 4.120 0.001 0.000 0.287 858 V C 0.765 176.812 176.094 -0.079 0.000 1.020 858 V CA -0.873 61.302 62.300 -0.208 0.000 0.850 858 V CB 1.588 33.215 31.823 -0.327 0.000 0.987 858 V HN 1.038 nan 8.190 nan 0.000 0.436 859 G N 3.842 112.614 108.800 -0.046 0.000 2.370 859 G HA2 0.562 4.522 3.960 0.001 0.000 0.272 859 G HA3 0.562 4.522 3.960 0.001 0.000 0.272 859 G C -0.743 174.135 174.900 -0.037 0.000 1.208 859 G CA -0.170 44.916 45.100 -0.024 0.000 0.856 859 G HN 0.589 nan 8.290 nan 0.000 0.500 860 V N 2.123 122.003 119.914 -0.058 0.000 2.962 860 V HA 0.696 4.816 4.120 0.001 0.000 0.313 860 V C -0.796 175.181 176.094 -0.195 0.000 1.099 860 V CA -0.832 61.355 62.300 -0.188 0.000 0.971 860 V CB 2.286 33.831 31.823 -0.464 0.000 1.028 860 V HN 0.794 nan 8.190 nan 0.000 0.430 861 D N -0.030 120.243 120.400 -0.211 0.000 2.665 861 D HA 0.745 5.386 4.640 0.001 0.000 0.287 861 D C -0.478 175.771 176.300 -0.085 0.000 1.266 861 D CA 0.795 54.732 54.000 -0.104 0.000 0.830 861 D CB 2.388 43.152 40.800 -0.059 0.000 1.356 861 D HN 1.175 nan 8.370 nan 0.000 0.437 862 G N -0.604 108.186 108.800 -0.016 0.000 2.379 862 G HA2 0.058 4.019 3.960 0.001 0.000 0.609 862 G HA3 0.058 4.019 3.960 0.001 0.000 0.609 862 G C 0.469 175.383 174.900 0.024 0.000 1.484 862 G CA 0.185 45.278 45.100 -0.011 0.000 0.921 862 G HN 0.352 nan 8.290 nan 0.000 0.658 863 T N 1.375 115.927 114.554 -0.005 0.000 2.777 863 T HA -0.114 4.236 4.350 0.001 0.000 0.266 863 T C 2.604 177.291 174.700 -0.022 0.000 1.040 863 T CA 1.888 63.982 62.100 -0.009 0.000 1.141 863 T CB -0.190 68.665 68.868 -0.021 0.000 0.868 863 T HN 0.741 nan 8.240 nan 0.000 0.444 864 L N 0.403 121.590 121.223 -0.061 0.000 2.046 864 L HA -0.038 4.302 4.340 0.001 0.000 0.208 864 L C 2.145 178.928 176.870 -0.146 0.000 1.077 864 L CA 1.683 56.454 54.840 -0.116 0.000 0.747 864 L CB -0.873 41.053 42.059 -0.223 0.000 0.896 864 L HN 0.302 nan 8.230 nan 0.000 0.432 865 Y N 0.345 120.479 120.300 -0.276 0.000 2.145 865 Y HA -0.251 4.300 4.550 0.001 0.000 0.286 865 Y C 2.436 178.307 175.900 -0.048 0.000 1.145 865 Y CA 2.149 60.124 58.100 -0.208 0.000 1.148 865 Y CB -0.089 38.299 38.460 -0.119 0.000 0.981 865 Y HN 0.174 nan 8.280 nan 0.000 0.507 866 K N -0.169 120.318 120.400 0.145 0.000 2.025 866 K HA -0.130 4.191 4.320 0.001 0.000 0.207 866 K C 1.920 178.507 176.600 -0.021 0.000 1.049 866 K CA 1.854 58.190 56.287 0.082 0.000 0.933 866 K CB -0.268 32.280 32.500 0.080 0.000 0.714 866 K HN 0.367 nan 8.250 nan 0.000 0.438 867 L N -0.268 120.937 121.223 -0.029 0.000 2.307 867 L HA 0.022 4.363 4.340 0.001 0.000 0.211 867 L C 1.457 178.280 176.870 -0.078 0.000 1.099 867 L CA -0.040 54.765 54.840 -0.058 0.000 0.816 867 L CB -0.269 41.754 42.059 -0.059 0.000 0.952 867 L HN 0.266 nan 8.230 nan 0.000 0.455 868 H N 2.698 121.691 119.070 -0.128 0.000 2.848 868 H HA 0.041 4.597 4.556 0.001 0.000 0.341 868 H C -1.521 173.704 175.328 -0.172 0.000 1.060 868 H CA -1.132 54.847 56.048 -0.115 0.000 1.444 868 H CB 1.743 31.476 29.762 -0.048 0.000 1.446 868 H HN -0.074 nan 8.280 nan 0.000 0.583 869 P HA -0.088 nan 4.420 nan 0.000 0.222 869 P C 0.544 177.535 177.300 -0.515 0.000 1.153 869 P CA 1.290 64.038 63.100 -0.586 0.000 0.798 869 P CB 0.722 31.925 31.700 -0.827 0.000 0.796 870 H N -3.195 115.982 119.070 0.178 0.000 3.205 870 H HA 0.199 4.755 4.556 0.001 0.000 0.252 870 H C 1.688 177.077 175.328 0.101 0.000 1.015 870 H CA -0.448 55.679 56.048 0.133 0.000 1.192 870 H CB -0.551 29.297 29.762 0.143 0.000 1.474 870 H HN 0.030 nan 8.280 nan 0.000 0.484 871 F N 3.029 123.075 119.950 0.160 0.000 2.043 871 F HA -0.312 4.215 4.527 0.001 0.000 0.297 871 F C 2.633 178.273 175.800 -0.267 0.000 1.121 871 F CA 2.202 60.124 58.000 -0.130 0.000 1.199 871 F CB 0.049 38.915 39.000 -0.224 0.000 0.968 871 F HN 0.131 nan 8.300 nan 0.000 0.478 872 S N 0.324 115.945 115.700 -0.131 0.000 2.382 872 S HA -0.279 4.191 4.470 0.001 0.000 0.228 872 S C 2.183 176.259 174.600 -0.873 0.000 1.027 872 S CA 1.250 59.082 58.200 -0.613 0.000 0.991 872 S CB -0.849 61.788 63.200 -0.937 0.000 0.823 872 S HN 0.572 nan 8.310 nan 0.000 0.469 873 R N 1.093 121.319 120.500 -0.456 0.000 2.075 873 R HA 0.064 4.404 4.340 0.001 0.000 0.232 873 R C 2.318 178.482 176.300 -0.228 0.000 1.126 873 R CA 1.569 57.496 56.100 -0.288 0.000 0.963 873 R CB -0.442 29.814 30.300 -0.074 0.000 0.858 873 R HN 0.512 nan 8.270 nan 0.000 0.435 874 I N 0.664 121.102 120.570 -0.219 0.000 2.179 874 I HA -0.307 3.864 4.170 0.001 0.000 0.242 874 I C 2.754 178.717 176.117 -0.257 0.000 1.088 874 I CA 1.067 62.244 61.300 -0.206 0.000 1.357 874 I CB -0.280 37.591 38.000 -0.215 0.000 1.051 874 I HN 0.342 nan 8.210 nan 0.000 0.409 875 M N 0.602 119.950 119.600 -0.419 0.000 2.086 875 M HA -0.243 4.237 4.480 0.001 0.000 0.261 875 M C 2.359 178.580 176.300 -0.131 0.000 1.067 875 M CA 2.184 57.276 55.300 -0.346 0.000 1.116 875 M CB -0.889 31.441 32.600 -0.451 0.000 1.348 875 M HN 0.340 nan 8.290 nan 0.000 0.407 876 H N -0.906 118.055 119.070 -0.182 0.000 2.387 876 H HA -0.164 4.393 4.556 0.001 0.000 0.299 876 H C 2.169 177.528 175.328 0.052 0.000 1.090 876 H CA 1.366 57.398 56.048 -0.026 0.000 1.332 876 H CB -0.059 29.729 29.762 0.043 0.000 1.386 876 H HN 0.545 nan 8.280 nan 0.000 0.516 877 Q N 0.158 120.024 119.800 0.111 0.000 2.050 877 Q HA -0.137 4.204 4.340 0.001 0.000 0.202 877 Q C 2.299 178.330 176.000 0.052 0.000 0.980 877 Q CA 1.973 57.816 55.803 0.068 0.000 0.840 877 Q CB 0.053 28.801 28.738 0.017 0.000 0.898 877 Q HN 0.456 nan 8.270 nan 0.000 0.424 878 T N 0.387 114.951 114.554 0.016 0.000 2.684 878 T HA -0.142 4.209 4.350 0.001 0.000 0.267 878 T C 1.966 176.703 174.700 0.061 0.000 1.036 878 T CA 1.442 63.550 62.100 0.013 0.000 1.148 878 T CB -0.336 68.514 68.868 -0.030 0.000 0.863 878 T HN 0.059 nan 8.240 nan 0.000 0.436 879 V N 1.616 121.601 119.914 0.119 0.000 2.343 879 V HA -0.185 3.936 4.120 0.001 0.000 0.247 879 V C 2.534 178.705 176.094 0.128 0.000 1.051 879 V CA 1.695 64.095 62.300 0.165 0.000 1.036 879 V CB -0.565 31.450 31.823 0.320 0.000 0.654 879 V HN 0.460 nan 8.190 nan 0.000 0.451 880 K N 0.037 120.516 120.400 0.130 0.000 2.063 880 K HA -0.235 4.085 4.320 0.001 0.000 0.208 880 K C 2.087 178.723 176.600 0.059 0.000 1.048 880 K CA 1.985 58.327 56.287 0.092 0.000 0.928 880 K CB -0.090 32.469 32.500 0.098 0.000 0.713 880 K HN 0.600 nan 8.250 nan 0.000 0.442 881 E N 0.261 120.491 120.200 0.050 0.000 2.112 881 E HA -0.105 4.245 4.350 0.001 0.000 0.190 881 E C 1.951 178.567 176.600 0.028 0.000 0.979 881 E CA 0.860 57.279 56.400 0.032 0.000 0.814 881 E CB 0.080 29.793 29.700 0.021 0.000 0.762 881 E HN 0.312 nan 8.360 nan 0.000 0.460 882 L N -0.042 121.201 121.223 0.034 0.000 2.418 882 L HA 0.068 4.409 4.340 0.001 0.000 0.218 882 L C 0.734 177.619 176.870 0.026 0.000 1.125 882 L CA 0.322 55.178 54.840 0.027 0.000 0.835 882 L CB 0.416 42.491 42.059 0.028 0.000 0.953 882 L HN -0.140 nan 8.230 nan 0.000 0.454 883 S N -0.175 115.546 115.700 0.035 0.000 2.235 883 S HA 0.228 4.699 4.470 0.001 0.000 0.152 883 S C -1.682 172.933 174.600 0.024 0.000 1.649 883 S CA -0.703 57.512 58.200 0.025 0.000 1.277 883 S CB 0.909 64.125 63.200 0.027 0.000 1.299 883 S HN 0.031 nan 8.310 nan 0.000 0.388 884 P HA -0.106 nan 4.420 nan 0.000 0.221 884 P C 0.596 177.903 177.300 0.013 0.000 1.145 884 P CA 0.939 64.051 63.100 0.019 0.000 0.795 884 P CB 0.182 31.891 31.700 0.015 0.000 0.775 885 K N -1.329 119.076 120.400 0.007 0.000 2.444 885 K HA 0.117 4.437 4.320 0.001 0.000 0.193 885 K C 0.388 176.987 176.600 -0.002 0.000 1.024 885 K CA -0.058 56.230 56.287 0.002 0.000 1.077 885 K CB 0.011 32.510 32.500 -0.001 0.000 0.833 885 K HN 0.177 nan 8.250 nan 0.000 0.517 886 C N 1.481 120.781 119.300 -0.000 0.000 2.376 886 C HA 0.322 4.782 4.460 0.001 0.000 0.335 886 C C 0.092 175.079 174.990 -0.006 0.000 1.229 886 C CA -1.282 57.730 59.018 -0.009 0.000 1.867 886 C CB 0.506 28.238 27.740 -0.012 0.000 2.319 886 C HN 0.326 nan 8.230 nan 0.000 0.515 887 N N 1.978 120.665 118.700 -0.021 0.000 2.564 887 N HA 0.443 5.184 4.740 0.001 0.000 0.248 887 N C -1.124 174.351 175.510 -0.057 0.000 0.986 887 N CA -0.094 52.944 53.050 -0.020 0.000 0.921 887 N CB 0.970 39.446 38.487 -0.017 0.000 1.136 887 N HN 0.437 nan 8.380 nan 0.000 0.509 888 V N 1.751 121.622 119.914 -0.072 0.000 2.472 888 V HA 0.470 4.590 4.120 0.001 0.000 0.290 888 V C 0.305 176.260 176.094 -0.232 0.000 1.037 888 V CA -0.757 61.417 62.300 -0.210 0.000 0.908 888 V CB 1.415 33.075 31.823 -0.272 0.000 0.985 888 V HN 0.669 nan 8.190 nan 0.000 0.454 889 S N 4.376 119.886 115.700 -0.316 0.000 2.456 889 S HA 0.686 5.157 4.470 0.001 0.000 0.316 889 S C -1.072 173.307 174.600 -0.369 0.000 1.089 889 S CA -0.435 57.629 58.200 -0.227 0.000 1.101 889 S CB 0.261 63.390 63.200 -0.118 0.000 0.995 889 S HN 0.408 nan 8.310 nan 0.000 0.468 890 F N 4.804 124.668 119.950 -0.142 0.000 2.385 890 F HA 0.520 5.048 4.527 0.001 0.000 0.360 890 F C -0.366 175.439 175.800 0.009 0.000 1.122 890 F CA -0.773 57.183 58.000 -0.073 0.000 1.090 890 F CB 1.262 40.207 39.000 -0.092 0.000 1.150 890 F HN 0.308 nan 8.300 nan 0.000 0.472 891 L N 5.030 126.333 121.223 0.134 0.000 2.298 891 L HA 0.402 4.743 4.340 0.001 0.000 0.284 891 L C -0.630 176.309 176.870 0.115 0.000 1.013 891 L CA -0.775 54.134 54.840 0.115 0.000 0.824 891 L CB 1.270 43.358 42.059 0.049 0.000 1.221 891 L HN 0.421 nan 8.230 nan 0.000 0.418 892 L N 3.346 124.665 121.223 0.159 0.000 2.418 892 L HA 0.299 4.639 4.340 0.001 0.000 0.274 892 L C 0.479 177.397 176.870 0.079 0.000 1.135 892 L CA 0.629 55.555 54.840 0.143 0.000 0.870 892 L CB 0.597 42.791 42.059 0.225 0.000 1.154 892 L HN 0.644 nan 8.230 nan 0.000 0.462 893 S N 4.135 119.858 115.700 0.040 0.000 2.549 893 S HA 0.066 4.537 4.470 0.001 0.000 0.286 893 S C 1.009 175.629 174.600 0.032 0.000 1.314 893 S CA -0.254 57.961 58.200 0.026 0.000 1.062 893 S CB 0.470 63.671 63.200 0.002 0.000 0.865 893 S HN 0.774 nan 8.310 nan 0.000 0.498 894 E N 1.592 121.807 120.200 0.026 0.000 2.127 894 E HA -0.049 4.302 4.350 0.001 0.000 0.191 894 E C 0.431 177.034 176.600 0.004 0.000 0.964 894 E CA 0.416 56.828 56.400 0.021 0.000 0.832 894 E CB 0.062 29.775 29.700 0.022 0.000 0.790 894 E HN 0.546 nan 8.360 nan 0.000 0.465 895 D N 0.329 120.725 120.400 -0.006 0.000 2.349 895 D HA 0.107 4.747 4.640 0.001 0.000 0.215 895 D C 0.976 177.262 176.300 -0.023 0.000 1.016 895 D CA 0.892 54.879 54.000 -0.021 0.000 0.870 895 D CB 0.566 41.343 40.800 -0.038 0.000 0.917 895 D HN 0.206 nan 8.370 nan 0.000 0.524 896 G N 0.343 109.133 108.800 -0.016 0.000 2.728 896 G HA2 -0.262 3.699 3.960 0.001 0.000 0.294 896 G HA3 -0.262 3.699 3.960 0.001 0.000 0.294 896 G C 0.761 175.647 174.900 -0.024 0.000 1.342 896 G CA -0.078 45.012 45.100 -0.017 0.000 0.866 896 G HN 0.020 nan 8.290 nan 0.000 0.534 897 S N 0.411 116.098 115.700 -0.021 0.000 2.474 897 S HA 0.018 4.488 4.470 0.001 0.000 0.235 897 S C 2.597 177.184 174.600 -0.022 0.000 0.997 897 S CA 1.997 60.184 58.200 -0.022 0.000 0.949 897 S CB -0.603 62.590 63.200 -0.011 0.000 0.766 897 S HN 1.572 nan 8.310 nan 0.000 0.517 898 G N 2.113 110.900 108.800 -0.021 0.000 2.514 898 G HA2 -0.320 3.641 3.960 0.001 0.000 0.217 898 G HA3 -0.320 3.641 3.960 0.001 0.000 0.217 898 G C 1.295 176.167 174.900 -0.047 0.000 1.198 898 G CA 1.297 46.384 45.100 -0.023 0.000 0.780 898 G HN 0.505 nan 8.290 nan 0.000 0.565 899 K N 0.336 120.692 120.400 -0.074 0.000 2.044 899 K HA -0.084 4.236 4.320 0.001 0.000 0.210 899 K C 2.607 179.127 176.600 -0.133 0.000 1.049 899 K CA 1.775 57.983 56.287 -0.131 0.000 0.927 899 K CB -0.726 31.660 32.500 -0.189 0.000 0.713 899 K HN 0.261 nan 8.250 nan 0.000 0.443 900 G N 0.002 108.747 108.800 -0.091 0.000 2.422 900 G HA2 -0.193 3.767 3.960 0.001 0.000 0.218 900 G HA3 -0.193 3.767 3.960 0.001 0.000 0.218 900 G C 1.550 176.406 174.900 -0.074 0.000 1.140 900 G CA 0.781 45.838 45.100 -0.072 0.000 0.775 900 G HN 0.457 nan 8.290 nan 0.000 0.545 901 A N 1.186 123.972 122.820 -0.057 0.000 1.933 901 A HA 0.290 4.610 4.320 0.001 0.000 0.218 901 A C 2.781 180.301 177.584 -0.107 0.000 1.175 901 A CA 2.131 54.142 52.037 -0.042 0.000 0.628 901 A CB -0.677 18.329 19.000 0.010 0.000 0.814 901 A HN 0.699 nan 8.150 nan 0.000 0.444 902 A N -0.338 122.394 122.820 -0.146 0.000 1.930 902 A HA 0.019 4.340 4.320 0.001 0.000 0.217 902 A C 2.143 179.408 177.584 -0.531 0.000 1.175 902 A CA 1.364 53.200 52.037 -0.336 0.000 0.627 902 A CB -0.555 18.344 19.000 -0.168 0.000 0.815 902 A HN 0.459 nan 8.150 nan 0.000 0.443 903 L N -0.608 120.440 121.223 -0.293 0.000 2.046 903 L HA -0.190 4.151 4.340 0.001 0.000 0.208 903 L C 2.455 179.203 176.870 -0.203 0.000 1.077 903 L CA 1.299 56.006 54.840 -0.221 0.000 0.747 903 L CB -0.483 41.518 42.059 -0.096 0.000 0.896 903 L HN 0.375 nan 8.230 nan 0.000 0.432 904 I N -0.740 119.735 120.570 -0.157 0.000 2.179 904 I HA -0.279 3.892 4.170 0.001 0.000 0.242 904 I C 2.460 178.500 176.117 -0.130 0.000 1.088 904 I CA 1.542 62.782 61.300 -0.101 0.000 1.357 904 I CB -0.489 37.478 38.000 -0.055 0.000 1.051 904 I HN 0.234 nan 8.210 nan 0.000 0.409 905 T N 0.721 115.146 114.554 -0.215 0.000 2.788 905 T HA -0.159 4.191 4.350 0.001 0.000 0.268 905 T C 2.020 176.576 174.700 -0.240 0.000 1.044 905 T CA 1.361 63.340 62.100 -0.202 0.000 1.139 905 T CB -0.301 68.420 68.868 -0.245 0.000 0.867 905 T HN 0.481 nan 8.240 nan 0.000 0.454 906 A N 1.001 123.520 122.820 -0.501 0.000 1.873 906 A HA -0.030 4.290 4.320 0.001 0.000 0.215 906 A C 2.573 180.150 177.584 -0.012 0.000 1.186 906 A CA 1.307 53.220 52.037 -0.208 0.000 0.616 906 A CB -0.952 17.921 19.000 -0.212 0.000 0.823 906 A HN 0.359 nan 8.150 nan 0.000 0.442 907 V N 0.043 119.929 119.914 -0.048 0.000 2.427 907 V HA -0.151 3.970 4.120 0.001 0.000 0.248 907 V C 2.782 178.887 176.094 0.018 0.000 1.051 907 V CA 1.756 64.056 62.300 0.000 0.000 1.048 907 V CB -1.464 30.355 31.823 -0.007 0.000 0.666 907 V HN 0.615 nan 8.190 nan 0.000 0.456 908 G N 0.079 108.885 108.800 0.010 0.000 2.446 908 G HA2 -0.213 3.747 3.960 0.001 0.000 0.217 908 G HA3 -0.213 3.747 3.960 0.001 0.000 0.217 908 G C 1.666 176.596 174.900 0.050 0.000 1.168 908 G CA 1.308 46.426 45.100 0.030 0.000 0.771 908 G HN 0.370 nan 8.290 nan 0.000 0.551 909 V N 0.715 120.677 119.914 0.079 0.000 2.233 909 V HA -0.218 3.902 4.120 0.001 0.000 0.247 909 V C 2.756 178.896 176.094 0.075 0.000 1.050 909 V CA 2.349 64.709 62.300 0.100 0.000 1.010 909 V CB -0.632 31.292 31.823 0.168 0.000 0.637 909 V HN 0.385 nan 8.190 nan 0.000 0.444 910 R N -0.234 120.312 120.500 0.077 0.000 2.133 910 R HA -0.217 4.123 4.340 0.001 0.000 0.245 910 R C 2.168 178.494 176.300 0.043 0.000 1.137 910 R CA 2.010 58.145 56.100 0.059 0.000 0.947 910 R CB -0.485 29.849 30.300 0.055 0.000 0.865 910 R HN 0.471 nan 8.270 nan 0.000 0.437 911 L N 0.141 121.387 121.223 0.038 0.000 2.549 911 L HA -0.108 4.232 4.340 0.001 0.000 0.230 911 L C 2.200 179.086 176.870 0.028 0.000 1.162 911 L CA 0.833 55.692 54.840 0.031 0.000 0.834 911 L CB -0.264 41.814 42.059 0.032 0.000 0.947 911 L HN 0.232 nan 8.230 nan 0.000 0.452 912 R N -0.844 119.675 120.500 0.031 0.000 2.236 912 R HA 0.012 4.353 4.340 0.001 0.000 0.208 912 R C 0.367 176.681 176.300 0.023 0.000 1.036 912 R CA 0.669 56.784 56.100 0.025 0.000 1.001 912 R CB 0.020 30.338 30.300 0.030 0.000 0.896 912 R HN 0.335 nan 8.270 nan 0.000 0.464 913 T N 0.000 114.570 114.554 0.026 0.000 3.816 913 T HA 0.000 4.351 4.350 0.001 0.000 0.228 913 T CA 0.000 62.114 62.100 0.023 0.000 1.349 913 T CB 0.000 68.884 68.868 0.027 0.000 0.612 913 T HN 0.000 nan 8.240 nan 0.000 0.658