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 1hkb_1_B 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 EFDREIDRGS 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 AVGVRLRTE 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 0.000 176.263 176.300 -0.061 0.000 2.045 16 D CA 0.000 53.964 54.000 -0.061 0.000 0.868 16 D CB 0.000 40.776 40.800 -0.039 0.000 0.688 17 D N 0.265 120.635 120.400 -0.050 0.000 2.087 17 D HA -0.120 4.521 4.640 0.002 0.000 0.201 17 D C 1.884 178.155 176.300 -0.048 0.000 0.980 17 D CA 2.440 56.415 54.000 -0.042 0.000 0.849 17 D CB -0.344 40.436 40.800 -0.034 0.000 1.001 17 D HN 0.138 nan 8.370 nan 0.000 0.452 18 Q N 0.292 120.060 119.800 -0.053 0.000 2.103 18 Q HA -0.198 4.143 4.340 0.002 0.000 0.213 18 Q C 2.168 178.128 176.000 -0.067 0.000 1.008 18 Q CA 2.350 58.122 55.803 -0.052 0.000 0.879 18 Q CB -0.927 27.778 28.738 -0.055 0.000 0.946 18 Q HN 0.306 nan 8.270 nan 0.000 0.413 19 V N 0.456 120.283 119.914 -0.145 0.000 2.219 19 V HA -0.314 3.807 4.120 0.002 0.000 0.248 19 V C 2.311 178.350 176.094 -0.091 0.000 1.053 19 V CA 2.328 64.455 62.300 -0.288 0.000 1.009 19 V CB -0.741 30.840 31.823 -0.404 0.000 0.636 19 V HN 0.353 nan 8.190 nan 0.000 0.445 20 K N 0.182 120.548 120.400 -0.057 0.000 2.218 20 K HA -0.190 4.131 4.320 0.002 0.000 0.205 20 K C 2.012 178.629 176.600 0.029 0.000 1.046 20 K CA 1.415 57.702 56.287 0.000 0.000 0.933 20 K CB -0.329 32.164 32.500 -0.012 0.000 0.728 20 K HN 0.355 nan 8.250 nan 0.000 0.454 21 K N 0.214 120.624 120.400 0.016 0.000 1.969 21 K HA -0.140 4.181 4.320 0.002 0.000 0.216 21 K C 2.216 178.870 176.600 0.090 0.000 1.048 21 K CA 1.913 58.218 56.287 0.031 0.000 0.948 21 K CB -0.717 31.786 32.500 0.004 0.000 0.726 21 K HN 0.192 nan 8.250 nan 0.000 0.442 22 I N 2.009 122.652 120.570 0.122 0.000 2.145 22 I HA -0.317 3.854 4.170 0.002 0.000 0.244 22 I C 1.565 177.793 176.117 0.185 0.000 1.075 22 I CA 1.596 63.009 61.300 0.188 0.000 1.332 22 I CB -0.539 37.617 38.000 0.259 0.000 1.033 22 I HN 0.166 nan 8.210 nan 0.000 0.410 23 D N 0.506 121.017 120.400 0.186 0.000 2.311 23 D HA -0.179 4.462 4.640 0.002 0.000 0.212 23 D C 2.016 178.417 176.300 0.168 0.000 0.972 23 D CA 1.052 55.149 54.000 0.161 0.000 0.887 23 D CB -0.173 40.721 40.800 0.156 0.000 0.915 23 D HN 0.346 nan 8.370 nan 0.000 0.497 24 K N -1.222 119.270 120.400 0.153 0.000 2.242 24 K HA -0.032 4.289 4.320 0.002 0.000 0.200 24 K C 1.550 178.283 176.600 0.222 0.000 1.050 24 K CA 0.123 56.491 56.287 0.135 0.000 0.981 24 K CB 0.166 32.709 32.500 0.072 0.000 0.795 24 K HN 0.071 nan 8.250 nan 0.000 0.477 25 Y N 0.919 121.264 120.300 0.074 0.000 2.269 25 Y HA 0.079 4.630 4.550 0.002 0.000 0.294 25 Y C 0.874 176.842 175.900 0.113 0.000 1.120 25 Y CA 0.873 59.022 58.100 0.082 0.000 1.159 25 Y CB 0.226 38.720 38.460 0.056 0.000 1.024 25 Y HN -0.146 nan 8.280 nan 0.000 0.532 26 L N 0.615 121.845 121.223 0.012 0.000 3.001 26 L HA 0.059 4.400 4.340 0.002 0.000 0.234 26 L C 1.239 178.105 176.870 -0.007 0.000 1.321 26 L CA -0.217 54.554 54.840 -0.115 0.000 1.138 26 L CB -0.756 41.196 42.059 -0.179 0.000 1.503 26 L HN 0.173 nan 8.230 nan 0.000 0.487 27 Y N 2.010 122.289 120.300 -0.034 0.000 2.128 27 Y HA -0.335 4.216 4.550 0.002 0.000 0.284 27 Y C 2.339 178.218 175.900 -0.036 0.000 1.154 27 Y CA 1.671 59.759 58.100 -0.020 0.000 1.149 27 Y CB 0.030 38.495 38.460 0.007 0.000 0.976 27 Y HN 0.320 nan 8.280 nan 0.000 0.505 28 A N 0.100 122.752 122.820 -0.280 0.000 2.178 28 A HA -0.116 4.205 4.320 0.002 0.000 0.218 28 A C 2.019 179.444 177.584 -0.265 0.000 1.157 28 A CA 1.544 53.374 52.037 -0.345 0.000 0.689 28 A CB -0.838 18.093 19.000 -0.115 0.000 0.787 28 A HN 0.615 nan 8.150 nan 0.000 0.465 29 M N -0.656 118.817 119.600 -0.213 0.000 2.495 29 M HA 0.101 4.582 4.480 0.002 0.000 0.237 29 M C 0.061 176.248 176.300 -0.189 0.000 1.131 29 M CA 0.311 55.507 55.300 -0.173 0.000 1.032 29 M CB 0.204 32.713 32.600 -0.153 0.000 1.513 29 M HN 0.134 nan 8.290 nan 0.000 0.488 30 R N 2.004 122.354 120.500 -0.250 0.000 2.346 30 R HA 0.454 4.795 4.340 0.002 0.000 0.309 30 R C -0.941 175.213 176.300 -0.242 0.000 1.119 30 R CA -0.306 55.653 56.100 -0.234 0.000 1.112 30 R CB 0.562 30.741 30.300 -0.202 0.000 1.132 30 R HN 0.274 nan 8.270 nan 0.000 0.538 31 L N 1.858 122.971 121.223 -0.183 0.000 2.410 31 L HA 0.123 4.464 4.340 0.002 0.000 0.273 31 L C 1.145 177.948 176.870 -0.112 0.000 1.152 31 L CA -0.050 54.707 54.840 -0.139 0.000 0.855 31 L CB 0.818 42.823 42.059 -0.090 0.000 1.129 31 L HN 0.446 nan 8.230 nan 0.000 0.463 32 S N 0.997 116.644 115.700 -0.089 0.000 2.584 32 S HA 0.097 4.568 4.470 0.002 0.000 0.273 32 S C 0.688 175.270 174.600 -0.030 0.000 1.311 32 S CA -0.599 57.567 58.200 -0.056 0.000 1.034 32 S CB 1.288 64.466 63.200 -0.036 0.000 0.939 32 S HN 0.667 nan 8.310 nan 0.000 0.513 33 D N 2.147 122.536 120.400 -0.019 0.000 2.116 33 D HA -0.092 4.548 4.640 0.002 0.000 0.193 33 D C 1.749 178.053 176.300 0.007 0.000 0.998 33 D CA 1.886 55.885 54.000 -0.000 0.000 0.836 33 D CB -0.197 40.605 40.800 0.004 0.000 0.951 33 D HN 0.790 nan 8.370 nan 0.000 0.449 34 E N -0.529 119.673 120.200 0.004 0.000 2.160 34 E HA -0.126 4.225 4.350 0.002 0.000 0.195 34 E C 2.057 178.663 176.600 0.010 0.000 0.991 34 E CA 1.164 57.569 56.400 0.009 0.000 0.810 34 E CB -0.294 29.410 29.700 0.008 0.000 0.742 34 E HN 0.177 nan 8.360 nan 0.000 0.466 35 T N 0.485 115.040 114.554 0.002 0.000 2.732 35 T HA -0.033 4.318 4.350 0.002 0.000 0.261 35 T C 1.772 176.483 174.700 0.018 0.000 1.040 35 T CA 0.735 62.836 62.100 0.001 0.000 1.145 35 T CB -0.232 68.622 68.868 -0.023 0.000 0.866 35 T HN 0.076 nan 8.240 nan 0.000 0.427 36 L N 0.381 121.615 121.223 0.017 0.000 2.129 36 L HA -0.113 4.228 4.340 0.002 0.000 0.212 36 L C 2.331 179.229 176.870 0.046 0.000 1.087 36 L CA 1.210 56.071 54.840 0.035 0.000 0.757 36 L CB -0.622 41.458 42.059 0.034 0.000 0.896 36 L HN 0.306 nan 8.230 nan 0.000 0.434 37 I N -0.428 120.165 120.570 0.037 0.000 2.252 37 I HA -0.273 3.898 4.170 0.002 0.000 0.245 37 I C 2.289 178.434 176.117 0.047 0.000 1.102 37 I CA 1.189 62.512 61.300 0.039 0.000 1.385 37 I CB -0.345 37.672 38.000 0.029 0.000 1.064 37 I HN 0.237 nan 8.210 nan 0.000 0.414 38 D N 1.490 121.917 120.400 0.044 0.000 2.103 38 D HA -0.208 4.433 4.640 0.002 0.000 0.190 38 D C 2.173 178.525 176.300 0.087 0.000 0.997 38 D CA 1.769 55.800 54.000 0.052 0.000 0.833 38 D CB -0.166 40.657 40.800 0.039 0.000 0.961 38 D HN 0.298 nan 8.370 nan 0.000 0.447 39 I N 0.107 120.740 120.570 0.105 0.000 2.151 39 I HA -0.303 3.868 4.170 0.002 0.000 0.243 39 I C 2.736 178.969 176.117 0.194 0.000 1.080 39 I CA 1.100 62.513 61.300 0.189 0.000 1.339 39 I CB -0.343 37.770 38.000 0.189 0.000 1.039 39 I HN 0.173 nan 8.210 nan 0.000 0.409 40 M N 0.382 120.050 119.600 0.112 0.000 2.082 40 M HA -0.254 4.227 4.480 0.002 0.000 0.258 40 M C 2.311 178.662 176.300 0.085 0.000 1.069 40 M CA 2.353 57.700 55.300 0.078 0.000 1.102 40 M CB -0.273 32.360 32.600 0.054 0.000 1.336 40 M HN 0.240 nan 8.290 nan 0.000 0.404 41 T N 0.014 114.612 114.554 0.073 0.000 2.788 41 T HA -0.125 4.226 4.350 0.002 0.000 0.268 41 T C 1.759 176.495 174.700 0.060 0.000 1.044 41 T CA 1.248 63.379 62.100 0.052 0.000 1.139 41 T CB -0.343 68.548 68.868 0.040 0.000 0.867 41 T HN 0.458 nan 8.240 nan 0.000 0.454 42 R N -0.068 120.503 120.500 0.119 0.000 2.070 42 R HA -0.003 4.338 4.340 0.002 0.000 0.233 42 R C 2.220 178.584 176.300 0.106 0.000 1.137 42 R CA 1.388 57.587 56.100 0.166 0.000 0.945 42 R CB -0.596 29.893 30.300 0.316 0.000 0.845 42 R HN 0.328 nan 8.270 nan 0.000 0.430 43 F N 1.957 121.810 119.950 -0.161 0.000 2.126 43 F HA -0.251 4.277 4.527 0.002 0.000 0.299 43 F C 2.583 178.216 175.800 -0.277 0.000 1.096 43 F CA 1.816 59.483 58.000 -0.555 0.000 1.255 43 F CB -0.219 38.324 39.000 -0.762 0.000 0.997 43 F HN -0.145 nan 8.300 nan 0.000 0.479 44 R N 1.184 121.658 120.500 -0.043 0.000 2.119 44 R HA -0.225 4.116 4.340 0.002 0.000 0.246 44 R C 2.270 178.476 176.300 -0.158 0.000 1.146 44 R CA 2.025 58.073 56.100 -0.087 0.000 0.962 44 R CB -0.719 29.568 30.300 -0.021 0.000 0.863 44 R HN 0.210 nan 8.270 nan 0.000 0.442 45 K N 0.019 120.343 120.400 -0.128 0.000 2.155 45 K HA -0.089 4.232 4.320 0.002 0.000 0.203 45 K C 1.458 177.950 176.600 -0.180 0.000 1.052 45 K CA 1.190 57.403 56.287 -0.124 0.000 0.948 45 K CB 0.111 32.565 32.500 -0.077 0.000 0.728 45 K HN 0.219 nan 8.250 nan 0.000 0.448 46 E N 0.663 120.703 120.200 -0.267 0.000 2.110 46 E HA -0.147 4.204 4.350 0.002 0.000 0.193 46 E C 2.015 178.389 176.600 -0.376 0.000 0.988 46 E CA 0.990 57.198 56.400 -0.320 0.000 0.804 46 E CB -0.146 29.274 29.700 -0.467 0.000 0.745 46 E HN 0.396 nan 8.360 nan 0.000 0.458 47 M N 0.326 119.631 119.600 -0.491 0.000 2.117 47 M HA -0.159 4.322 4.480 0.002 0.000 0.262 47 M C 2.408 178.617 176.300 -0.153 0.000 1.065 47 M CA 1.351 56.447 55.300 -0.340 0.000 1.114 47 M CB -0.321 32.093 32.600 -0.310 0.000 1.361 47 M HN -0.042 nan 8.290 nan 0.000 0.408 48 K N 0.598 120.919 120.400 -0.133 0.000 2.026 48 K HA -0.181 4.140 4.320 0.002 0.000 0.208 48 K C 1.565 178.160 176.600 -0.009 0.000 1.048 48 K CA 1.703 57.951 56.287 -0.065 0.000 0.929 48 K CB -0.036 32.426 32.500 -0.064 0.000 0.713 48 K HN 0.227 nan 8.250 nan 0.000 0.439 49 N N 0.357 119.041 118.700 -0.028 0.000 2.166 49 N HA -0.100 4.641 4.740 0.002 0.000 0.186 49 N C 1.804 177.352 175.510 0.063 0.000 1.019 49 N CA 1.411 54.492 53.050 0.052 0.000 0.856 49 N CB -0.712 37.752 38.487 -0.038 0.000 0.993 49 N HN 0.428 nan 8.380 nan 0.000 0.426 50 G N 0.538 109.330 108.800 -0.014 0.000 2.408 50 G HA2 -0.130 3.831 3.960 0.002 0.000 0.217 50 G HA3 -0.130 3.831 3.960 0.002 0.000 0.217 50 G C 1.492 176.393 174.900 0.002 0.000 1.150 50 G CA 0.318 45.411 45.100 -0.011 0.000 0.776 50 G HN 0.258 nan 8.290 nan 0.000 0.542 51 L N 0.770 121.995 121.223 0.002 0.000 2.418 51 L HA 0.179 4.520 4.340 0.002 0.000 0.218 51 L C 1.675 178.555 176.870 0.017 0.000 1.125 51 L CA -0.047 54.796 54.840 0.005 0.000 0.835 51 L CB 0.117 42.182 42.059 0.011 0.000 0.953 51 L HN 0.210 nan 8.230 nan 0.000 0.454 52 S N 0.400 116.125 115.700 0.041 0.000 2.548 52 S HA 0.095 4.566 4.470 0.002 0.000 0.277 52 S C 1.490 176.082 174.600 -0.014 0.000 1.315 52 S CA -0.705 57.514 58.200 0.032 0.000 1.050 52 S CB 0.967 64.232 63.200 0.108 0.000 0.918 52 S HN 0.388 nan 8.310 nan 0.000 0.497 53 R N 3.052 123.519 120.500 -0.053 0.000 2.148 53 R HA -0.023 4.318 4.340 0.002 0.000 0.227 53 R C 0.600 176.824 176.300 -0.127 0.000 1.103 53 R CA 1.448 57.507 56.100 -0.069 0.000 0.983 53 R CB -0.414 29.849 30.300 -0.061 0.000 0.874 53 R HN 0.528 nan 8.270 nan 0.000 0.451 54 D N 0.274 120.522 120.400 -0.254 0.000 2.137 54 D HA -0.041 4.600 4.640 0.002 0.000 0.202 54 D C 1.351 177.376 176.300 -0.459 0.000 0.970 54 D CA 1.097 54.825 54.000 -0.453 0.000 0.837 54 D CB 0.006 40.333 40.800 -0.788 0.000 0.981 54 D HN 0.259 nan 8.370 nan 0.000 0.475 55 F N 0.776 120.719 119.950 -0.011 0.000 2.717 55 F HA 0.130 4.658 4.527 0.001 0.000 0.295 55 F C 1.895 177.687 175.800 -0.012 0.000 1.117 55 F CA -0.397 57.596 58.000 -0.012 0.000 1.361 55 F CB -0.747 38.243 39.000 -0.017 0.000 1.112 55 F HN -0.101 nan 8.300 nan 0.000 0.594 56 N N 2.447 121.218 118.700 0.119 0.000 2.069 56 N HA -0.194 4.547 4.740 0.002 0.000 0.196 56 N C -0.853 174.693 175.510 0.060 0.000 1.024 56 N CA 1.917 55.008 53.050 0.069 0.000 0.869 56 N CB -1.107 37.396 38.487 0.027 0.000 1.035 56 N HN 0.115 nan 8.380 nan 0.000 0.434 57 P HA -0.061 nan 4.420 nan 0.000 0.222 57 P C 0.823 178.156 177.300 0.055 0.000 1.142 57 P CA 1.354 64.479 63.100 0.041 0.000 0.788 57 P CB -0.160 31.556 31.700 0.027 0.000 0.767 58 T N -1.896 112.706 114.554 0.080 0.000 2.985 58 T HA 0.365 4.716 4.350 0.002 0.000 0.254 58 T C 0.801 175.538 174.700 0.061 0.000 1.021 58 T CA -0.107 62.037 62.100 0.074 0.000 0.957 58 T CB -0.038 68.887 68.868 0.095 0.000 1.047 58 T HN 0.052 nan 8.240 nan 0.000 0.511 59 A N 1.358 124.216 122.820 0.063 0.000 2.445 59 A HA 0.396 4.717 4.320 0.002 0.000 0.242 59 A C 1.660 179.272 177.584 0.046 0.000 1.075 59 A CA 0.343 52.405 52.037 0.043 0.000 0.777 59 A CB 0.199 19.218 19.000 0.031 0.000 1.013 59 A HN 0.428 nan 8.150 nan 0.000 0.493 60 T N -0.986 113.602 114.554 0.056 0.000 3.051 60 T HA 0.122 4.473 4.350 0.002 0.000 0.255 60 T C 0.331 175.089 174.700 0.096 0.000 1.085 60 T CA 0.690 62.841 62.100 0.085 0.000 1.109 60 T CB -0.218 68.719 68.868 0.115 0.000 0.921 60 T HN 0.290 nan 8.240 nan 0.000 0.488 61 V N 2.965 122.913 119.914 0.055 0.000 2.304 61 V HA 0.286 4.407 4.120 0.002 0.000 0.262 61 V C 0.936 177.033 176.094 0.004 0.000 1.061 61 V CA -0.705 61.612 62.300 0.029 0.000 0.872 61 V CB 0.719 32.459 31.823 -0.139 0.000 1.077 61 V HN 0.358 nan 8.190 nan 0.000 0.480 62 K N 3.893 124.313 120.400 0.034 0.000 2.152 62 K HA -0.021 4.300 4.320 0.002 0.000 0.206 62 K C 0.930 177.526 176.600 -0.007 0.000 1.048 62 K CA 0.794 57.091 56.287 0.016 0.000 0.933 62 K CB -0.135 32.378 32.500 0.022 0.000 0.721 62 K HN 0.560 nan 8.250 nan 0.000 0.447 63 M N 0.016 119.611 119.600 -0.008 0.000 2.249 63 M HA -0.193 4.288 4.480 0.002 0.000 0.198 63 M C -1.086 175.177 176.300 -0.062 0.000 0.394 63 M CA 0.759 56.044 55.300 -0.025 0.000 0.427 63 M CB -2.554 30.032 32.600 -0.024 0.000 1.307 63 M HN 0.103 nan 8.290 nan 0.000 0.924 64 L N 2.608 123.793 121.223 -0.063 0.000 2.410 64 L HA 0.276 4.617 4.340 0.002 0.000 0.273 64 L C -1.246 175.527 176.870 -0.161 0.000 1.152 64 L CA -1.477 53.311 54.840 -0.087 0.000 0.855 64 L CB 0.112 42.139 42.059 -0.054 0.000 1.129 64 L HN 0.111 nan 8.230 nan 0.000 0.463 65 P HA 0.055 nan 4.420 nan 0.000 0.272 65 P C 0.234 177.264 177.300 -0.449 0.000 1.223 65 P CA -0.280 62.569 63.100 -0.417 0.000 0.784 65 P CB 1.029 32.376 31.700 -0.587 0.000 0.923 66 T N -2.734 111.548 114.554 -0.453 0.000 3.003 66 T HA 0.197 4.548 4.350 0.002 0.000 0.261 66 T C 0.487 175.113 174.700 -0.124 0.000 1.003 66 T CA -0.158 61.802 62.100 -0.233 0.000 0.917 66 T CB -0.678 68.103 68.868 -0.145 0.000 1.084 66 T HN 0.172 nan 8.240 nan 0.000 0.522 67 F N 0.362 120.279 119.950 -0.055 0.000 3.057 67 F HA -0.148 4.380 4.527 0.002 0.000 0.287 67 F C -0.120 175.652 175.800 -0.046 0.000 0.834 67 F CA -0.147 57.826 58.000 -0.046 0.000 1.147 67 F CB -2.292 36.687 39.000 -0.035 0.000 1.245 67 F HN 0.157 nan 8.300 nan 0.000 0.509 68 V N 1.443 121.354 119.914 -0.005 0.000 2.334 68 V HA 0.336 4.457 4.120 0.002 0.000 0.281 68 V C 1.127 177.194 176.094 -0.045 0.000 1.016 68 V CA -0.660 61.633 62.300 -0.012 0.000 0.832 68 V CB 1.691 33.493 31.823 -0.034 0.000 0.999 68 V HN 0.218 nan 8.190 nan 0.000 0.439 69 R N 2.590 123.076 120.500 -0.024 0.000 2.312 69 R HA 0.280 4.621 4.340 0.002 0.000 0.205 69 R C 0.554 176.834 176.300 -0.034 0.000 0.904 69 R CA 0.360 56.438 56.100 -0.036 0.000 1.052 69 R CB 0.728 31.017 30.300 -0.018 0.000 1.014 69 R HN 0.640 nan 8.270 nan 0.000 0.503 70 S N 0.479 116.162 115.700 -0.027 0.000 2.565 70 S HA 0.361 4.832 4.470 0.002 0.000 0.274 70 S C -0.363 174.226 174.600 -0.018 0.000 1.144 70 S CA -1.128 57.057 58.200 -0.025 0.000 0.849 70 S CB 0.990 64.178 63.200 -0.020 0.000 1.103 70 S HN 0.245 nan 8.310 nan 0.000 0.455 71 I N -0.282 120.277 120.570 -0.018 0.000 3.079 71 I HA 0.590 4.761 4.170 0.002 0.000 0.295 71 I C -2.492 173.625 176.117 0.001 0.000 1.094 71 I CA -2.390 58.907 61.300 -0.006 0.000 1.295 71 I CB -0.437 37.559 38.000 -0.007 0.000 1.443 71 I HN 0.363 nan 8.210 nan 0.000 0.607 72 P HA -0.044 nan 4.420 nan 0.000 0.264 72 P C -0.737 176.546 177.300 -0.030 0.000 1.179 72 P CA 0.408 63.532 63.100 0.040 0.000 0.763 72 P CB 0.299 32.095 31.700 0.161 0.000 0.806 73 D N 1.008 121.395 120.400 -0.021 0.000 2.417 73 D HA 0.132 4.773 4.640 0.002 0.000 0.207 73 D C 1.362 177.620 176.300 -0.070 0.000 1.075 73 D CA 0.591 54.564 54.000 -0.044 0.000 0.851 73 D CB -0.186 40.609 40.800 -0.008 0.000 0.976 73 D HN 0.538 nan 8.370 nan 0.000 0.505 74 G N 0.415 109.176 108.800 -0.065 0.000 2.238 74 G HA2 -0.330 3.631 3.960 0.002 0.000 0.217 74 G HA3 -0.330 3.631 3.960 0.002 0.000 0.217 74 G C 1.195 176.106 174.900 0.018 0.000 0.996 74 G CA 0.630 45.662 45.100 -0.114 0.000 0.632 74 G HN 0.706 nan 8.290 nan 0.000 0.503 75 S N 0.403 116.211 115.700 0.180 0.000 2.561 75 S HA 0.266 4.737 4.470 0.002 0.000 0.225 75 S C 0.675 175.516 174.600 0.402 0.000 0.977 75 S CA 1.142 59.599 58.200 0.429 0.000 0.926 75 S CB 0.106 63.426 63.200 0.200 0.000 0.769 75 S HN 0.532 nan 8.310 nan 0.000 0.533 76 E N 2.473 122.839 120.200 0.276 0.000 2.384 76 E HA 0.390 4.741 4.350 0.002 0.000 0.266 76 E C -0.068 176.734 176.600 0.338 0.000 1.012 76 E CA 0.309 56.864 56.400 0.257 0.000 0.901 76 E CB 0.469 30.286 29.700 0.195 0.000 0.967 76 E HN 0.698 nan 8.360 nan 0.000 0.435 77 K N 0.538 121.152 120.400 0.357 0.000 2.572 77 K HA 0.744 5.065 4.320 0.002 0.000 0.263 77 K C -0.463 176.305 176.600 0.279 0.000 0.932 77 K CA -0.731 55.755 56.287 0.332 0.000 0.838 77 K CB 1.651 34.316 32.500 0.275 0.000 1.366 77 K HN 0.639 nan 8.250 nan 0.000 0.425 78 G N 1.038 109.873 108.800 0.059 0.000 2.362 78 G HA2 0.151 4.112 3.960 0.002 0.000 0.288 78 G HA3 0.151 4.112 3.960 0.002 0.000 0.288 78 G C -2.177 172.240 174.900 -0.806 0.000 1.305 78 G CA -0.613 44.228 45.100 -0.432 0.000 0.910 78 G HN 0.645 nan 8.290 nan 0.000 0.518 79 D N 0.055 119.847 120.400 -1.013 0.000 2.440 79 D HA 0.701 5.342 4.640 0.002 0.000 0.239 79 D C -0.818 174.989 176.300 -0.821 0.000 1.084 79 D CA -0.208 53.397 54.000 -0.659 0.000 0.843 79 D CB 0.696 41.307 40.800 -0.314 0.000 1.097 79 D HN 0.274 nan 8.370 nan 0.000 0.531 80 F N 2.157 122.087 119.950 -0.033 0.000 2.611 80 F HA 0.586 5.114 4.527 0.002 0.000 0.324 80 F C 0.297 176.081 175.800 -0.028 0.000 1.061 80 F CA -1.127 56.841 58.000 -0.054 0.000 0.954 80 F CB 1.278 40.243 39.000 -0.058 0.000 1.301 80 F HN 0.042 nan 8.300 nan 0.000 0.482 81 I N 1.431 122.093 120.570 0.154 0.000 2.530 81 I HA 0.737 4.908 4.170 0.002 0.000 0.297 81 I C -0.636 175.481 176.117 -0.000 0.000 1.011 81 I CA -0.945 60.373 61.300 0.030 0.000 1.107 81 I CB 1.898 39.873 38.000 -0.043 0.000 1.285 81 I HN 0.760 nan 8.210 nan 0.000 0.436 82 A N 7.008 129.791 122.820 -0.062 0.000 2.386 82 A HA 0.872 5.193 4.320 0.002 0.000 0.311 82 A C -1.083 176.466 177.584 -0.059 0.000 1.068 82 A CA -0.519 51.502 52.037 -0.027 0.000 0.743 82 A CB 1.403 20.400 19.000 -0.004 0.000 1.258 82 A HN 0.654 nan 8.150 nan 0.000 0.429 83 L N 1.165 122.422 121.223 0.057 0.000 2.334 83 L HA 0.562 4.903 4.340 0.002 0.000 0.273 83 L C -0.843 176.207 176.870 0.300 0.000 1.013 83 L CA -0.689 54.237 54.840 0.143 0.000 0.816 83 L CB 2.038 44.158 42.059 0.100 0.000 1.278 83 L HN 0.695 nan 8.230 nan 0.000 0.431 84 D N 3.075 123.677 120.400 0.337 0.000 2.363 84 D HA 0.356 4.997 4.640 0.002 0.000 0.258 84 D C -1.559 174.986 176.300 0.409 0.000 1.259 84 D CA -0.260 53.917 54.000 0.295 0.000 0.921 84 D CB 1.226 42.121 40.800 0.158 0.000 1.201 84 D HN 0.181 nan 8.370 nan 0.000 0.524 85 L N 2.162 123.636 121.223 0.419 0.000 2.329 85 L HA 0.817 5.158 4.340 0.002 0.000 0.279 85 L C 1.088 177.966 176.870 0.014 0.000 1.014 85 L CA 0.528 55.561 54.840 0.321 0.000 0.814 85 L CB 1.811 44.109 42.059 0.398 0.000 1.257 85 L HN 0.486 nan 8.230 nan 0.000 0.424 86 G N 2.387 111.111 108.800 -0.128 0.000 2.380 86 G HA2 -0.138 3.823 3.960 0.002 0.000 0.197 86 G HA3 -0.138 3.823 3.960 0.002 0.000 0.197 86 G C 0.436 175.167 174.900 -0.282 0.000 1.001 86 G CA -0.049 44.720 45.100 -0.553 0.000 0.668 86 G HN 1.140 nan 8.290 nan 0.000 0.483 87 G N 0.445 109.183 108.800 -0.104 0.000 2.514 87 G HA2 0.479 4.440 3.960 0.002 0.000 0.245 87 G HA3 0.479 4.440 3.960 0.002 0.000 0.245 87 G C 1.538 176.466 174.900 0.047 0.000 1.488 87 G CA 1.318 46.391 45.100 -0.045 0.000 1.063 87 G HN 1.307 nan 8.290 nan 0.000 0.557 88 S N -2.052 113.674 115.700 0.044 0.000 2.528 88 S HA 0.277 4.748 4.470 0.002 0.000 0.219 88 S C 0.698 175.357 174.600 0.098 0.000 0.985 88 S CA 0.536 58.772 58.200 0.060 0.000 0.914 88 S CB 0.107 63.321 63.200 0.023 0.000 0.776 88 S HN 0.317 nan 8.310 nan 0.000 0.526 89 S N 1.312 117.087 115.700 0.125 0.000 2.619 89 S HA 0.501 4.972 4.470 0.002 0.000 0.280 89 S C -1.399 173.364 174.600 0.271 0.000 1.150 89 S CA -0.652 57.650 58.200 0.170 0.000 0.978 89 S CB 1.122 64.387 63.200 0.110 0.000 1.041 89 S HN 0.378 nan 8.310 nan 0.000 0.485 90 F N 5.196 125.240 119.950 0.157 0.000 2.466 90 F HA 0.488 5.016 4.527 0.002 0.000 0.363 90 F C 0.329 176.244 175.800 0.193 0.000 1.109 90 F CA -0.685 57.429 58.000 0.190 0.000 1.161 90 F CB -0.026 39.117 39.000 0.238 0.000 1.117 90 F HN 0.558 nan 8.300 nan 0.000 0.539 91 R N 7.637 128.179 120.500 0.071 0.000 2.628 91 R HA 0.628 4.969 4.340 0.002 0.000 0.288 91 R C -1.704 174.486 176.300 -0.185 0.000 0.980 91 R CA -0.684 55.367 56.100 -0.081 0.000 0.891 91 R CB 1.381 31.698 30.300 0.028 0.000 1.188 91 R HN 0.701 nan 8.270 nan 0.000 0.450 92 I N 5.708 126.121 120.570 -0.261 0.000 2.474 92 I HA 0.394 4.565 4.170 0.002 0.000 0.294 92 I C -1.014 174.883 176.117 -0.366 0.000 1.005 92 I CA -1.160 59.879 61.300 -0.436 0.000 1.113 92 I CB 1.661 39.173 38.000 -0.813 0.000 1.289 92 I HN 0.430 nan 8.210 nan 0.000 0.436 93 L N 5.346 126.367 121.223 -0.336 0.000 2.359 93 L HA 0.645 4.986 4.340 0.002 0.000 0.256 93 L C -0.345 176.505 176.870 -0.032 0.000 1.026 93 L CA -0.745 54.043 54.840 -0.087 0.000 0.828 93 L CB 1.291 43.343 42.059 -0.011 0.000 1.406 93 L HN 0.500 nan 8.230 nan 0.000 0.413 94 R N 0.472 121.089 120.500 0.195 0.000 2.439 94 R HA 0.814 5.155 4.340 0.002 0.000 0.310 94 R C -1.950 174.437 176.300 0.144 0.000 0.955 94 R CA -0.485 55.740 56.100 0.208 0.000 0.853 94 R CB 1.847 32.343 30.300 0.327 0.000 1.171 94 R HN 0.546 nan 8.270 nan 0.000 0.449 95 V N 4.947 124.956 119.914 0.158 0.000 2.378 95 V HA 0.289 4.410 4.120 0.002 0.000 0.288 95 V C -0.500 175.724 176.094 0.217 0.000 1.016 95 V CA -0.683 61.714 62.300 0.161 0.000 0.840 95 V CB 1.689 33.595 31.823 0.138 0.000 0.994 95 V HN 0.771 nan 8.190 nan 0.000 0.431 96 Q N 3.115 123.030 119.800 0.192 0.000 2.293 96 Q HA 0.762 5.103 4.340 0.002 0.000 0.261 96 Q C -1.197 174.897 176.000 0.156 0.000 0.960 96 Q CA -0.303 55.584 55.803 0.139 0.000 0.882 96 Q CB 2.379 31.193 28.738 0.127 0.000 1.275 96 Q HN 0.605 nan 8.270 nan 0.000 0.445 97 V N 3.538 123.545 119.914 0.154 0.000 2.668 97 V HA 0.484 4.605 4.120 0.002 0.000 0.304 97 V C -0.963 175.233 176.094 0.169 0.000 1.071 97 V CA -0.849 61.558 62.300 0.179 0.000 0.894 97 V CB 1.932 33.901 31.823 0.243 0.000 1.008 97 V HN 0.981 nan 8.190 nan 0.000 0.425 98 N N 1.543 120.337 118.700 0.156 0.000 2.525 98 N HA 0.500 5.241 4.740 0.002 0.000 0.270 98 N C 0.272 175.903 175.510 0.201 0.000 1.321 98 N CA -0.955 52.199 53.050 0.173 0.000 0.797 98 N CB 2.018 40.568 38.487 0.105 0.000 1.529 98 N HN 0.534 nan 8.380 nan 0.000 0.491 99 H N -0.105 119.005 119.070 0.067 0.000 2.343 99 H HA -0.086 4.471 4.556 0.002 0.000 0.303 99 H C 0.991 176.346 175.328 0.045 0.000 1.068 99 H CA 1.872 57.955 56.048 0.058 0.000 1.359 99 H CB 0.544 30.335 29.762 0.048 0.000 1.402 99 H HN 0.736 nan 8.280 nan 0.000 0.515 100 E N 1.907 122.209 120.200 0.170 0.000 1.989 100 E HA -0.119 4.232 4.350 0.002 0.000 0.214 100 E C 0.861 177.500 176.600 0.065 0.000 0.915 100 E CA 0.145 56.602 56.400 0.094 0.000 1.012 100 E CB -0.208 29.534 29.700 0.069 0.000 0.865 100 E HN -0.035 nan 8.360 nan 0.000 0.577 101 K N 1.309 121.739 120.400 0.050 0.000 2.543 101 K HA -0.091 4.230 4.320 0.002 0.000 0.279 101 K C -0.823 175.802 176.600 0.042 0.000 1.001 101 K CA 0.372 56.681 56.287 0.035 0.000 1.088 101 K CB 0.016 32.529 32.500 0.021 0.000 0.863 101 K HN 0.182 nan 8.250 nan 0.000 0.488 102 N N 3.626 122.347 118.700 0.035 0.000 2.521 102 N HA 0.056 4.797 4.740 0.002 0.000 0.236 102 N C -0.672 174.864 175.510 0.044 0.000 1.067 102 N CA 0.111 53.186 53.050 0.041 0.000 0.939 102 N CB 0.604 39.111 38.487 0.034 0.000 1.201 102 N HN 0.617 nan 8.380 nan 0.000 0.511 103 Q N 2.309 122.144 119.800 0.059 0.000 1.820 103 Q HA 0.093 4.434 4.340 0.002 0.000 0.179 103 Q C 0.304 176.363 176.000 0.098 0.000 0.798 103 Q CA -0.051 55.797 55.803 0.076 0.000 0.887 103 Q CB -0.149 28.622 28.738 0.056 0.000 1.240 103 Q HN 0.644 nan 8.270 nan 0.000 0.394 104 N N -0.449 118.305 118.700 0.090 0.000 1.524 104 N HA -0.280 4.461 4.740 0.002 0.000 0.117 104 N C -0.077 175.504 175.510 0.118 0.000 0.436 104 N CA 2.424 55.541 53.050 0.111 0.000 0.787 104 N CB -0.210 38.356 38.487 0.132 0.000 0.665 104 N HN 0.057 nan 8.380 nan 0.000 1.384 105 V N 0.337 120.305 119.914 0.090 0.000 2.304 105 V HA 0.205 4.326 4.120 0.002 0.000 0.278 105 V C -0.297 175.835 176.094 0.065 0.000 1.018 105 V CA -0.573 61.745 62.300 0.030 0.000 0.814 105 V CB 1.084 32.829 31.823 -0.130 0.000 1.021 105 V HN 0.315 nan 8.190 nan 0.000 0.440 106 H N 7.158 126.234 119.070 0.012 0.000 2.469 106 H HA 0.830 5.387 4.556 0.002 0.000 0.342 106 H C -0.978 174.362 175.328 0.021 0.000 1.115 106 H CA -0.910 55.146 56.048 0.014 0.000 1.204 106 H CB 2.020 31.792 29.762 0.017 0.000 1.492 106 H HN 0.743 nan 8.280 nan 0.000 0.499 107 M N 2.844 122.053 119.600 -0.652 0.000 2.365 107 M HA 0.367 4.848 4.480 0.002 0.000 0.287 107 M C -1.824 174.255 176.300 -0.368 0.000 1.154 107 M CA -0.865 54.217 55.300 -0.364 0.000 0.941 107 M CB 2.962 35.480 32.600 -0.136 0.000 1.704 107 M HN 0.517 nan 8.290 nan 0.000 0.479 108 E N 1.731 121.845 120.200 -0.144 0.000 2.187 108 E HA 0.773 5.124 4.350 0.002 0.000 0.268 108 E C -1.205 175.460 176.600 0.107 0.000 0.896 108 E CA -0.818 55.564 56.400 -0.031 0.000 0.766 108 E CB 2.052 31.766 29.700 0.024 0.000 1.142 108 E HN 0.807 nan 8.360 nan 0.000 0.408 109 S N 1.917 117.672 115.700 0.092 0.000 2.634 109 S HA 0.634 5.105 4.470 0.002 0.000 0.296 109 S C -0.617 174.082 174.600 0.164 0.000 1.104 109 S CA -0.942 57.350 58.200 0.153 0.000 0.920 109 S CB 2.078 65.312 63.200 0.056 0.000 1.111 109 S HN 0.698 nan 8.310 nan 0.000 0.493 110 E N 0.144 120.473 120.200 0.214 0.000 2.340 110 E HA 0.639 4.990 4.350 0.002 0.000 0.273 110 E C -1.868 174.783 176.600 0.085 0.000 0.891 110 E CA -0.874 55.612 56.400 0.143 0.000 0.757 110 E CB 2.136 32.011 29.700 0.291 0.000 1.231 110 E HN 0.549 nan 8.360 nan 0.000 0.439 111 V N 3.828 123.714 119.914 -0.048 0.000 2.483 111 V HA 0.436 4.557 4.120 0.002 0.000 0.295 111 V C -1.131 174.890 176.094 -0.122 0.000 1.035 111 V CA -0.458 61.834 62.300 -0.014 0.000 0.896 111 V CB 0.979 32.798 31.823 -0.006 0.000 0.986 111 V HN 0.600 nan 8.190 nan 0.000 0.447 112 Y N 1.371 121.606 120.300 -0.108 0.000 2.485 112 Y HA 0.469 5.020 4.550 0.002 0.000 0.345 112 Y C 0.115 176.129 175.900 0.190 0.000 0.998 112 Y CA -1.200 56.903 58.100 0.004 0.000 1.059 112 Y CB 1.492 39.891 38.460 -0.102 0.000 1.234 112 Y HN 0.640 nan 8.280 nan 0.000 0.461 113 D N 0.502 121.099 120.400 0.329 0.000 2.345 113 D HA 0.369 5.010 4.640 0.002 0.000 0.247 113 D C -0.920 175.576 176.300 0.326 0.000 1.108 113 D CA 0.239 54.394 54.000 0.259 0.000 0.894 113 D CB 0.806 41.699 40.800 0.154 0.000 1.203 113 D HN 0.511 nan 8.370 nan 0.000 0.430 114 T N 4.312 118.950 114.554 0.140 0.000 3.077 114 T HA 0.366 4.717 4.350 0.002 0.000 0.359 114 T C -2.459 172.141 174.700 -0.167 0.000 1.108 114 T CA -1.075 60.978 62.100 -0.079 0.000 1.170 114 T CB 1.332 70.168 68.868 -0.052 0.000 1.045 114 T HN 0.259 nan 8.240 nan 0.000 0.505 115 P HA 0.183 nan 4.420 nan 0.000 0.269 115 P C 0.743 177.884 177.300 -0.266 0.000 1.209 115 P CA -0.346 62.653 63.100 -0.168 0.000 0.776 115 P CB 0.752 32.384 31.700 -0.114 0.000 0.876 116 E N 0.687 120.751 120.200 -0.227 0.000 2.527 116 E HA -0.195 4.156 4.350 0.002 0.000 0.204 116 E C 1.046 177.502 176.600 -0.240 0.000 1.132 116 E CA 0.382 56.605 56.400 -0.295 0.000 0.905 116 E CB -0.195 29.436 29.700 -0.115 0.000 0.875 116 E HN 0.411 nan 8.360 nan 0.000 0.548 117 N N -0.794 117.773 118.700 -0.221 0.000 2.420 117 N HA -0.027 4.714 4.740 0.002 0.000 0.185 117 N C 1.502 176.884 175.510 -0.213 0.000 1.033 117 N CA 0.265 53.223 53.050 -0.153 0.000 0.879 117 N CB 0.228 38.652 38.487 -0.105 0.000 1.071 117 N HN -0.029 nan 8.380 nan 0.000 0.437 118 I N 0.485 120.883 120.570 -0.287 0.000 2.202 118 I HA -0.167 4.004 4.170 0.002 0.000 0.242 118 I C 2.041 177.892 176.117 -0.443 0.000 1.091 118 I CA 0.700 61.805 61.300 -0.325 0.000 1.368 118 I CB -0.329 37.415 38.000 -0.428 0.000 1.058 118 I HN 0.026 nan 8.210 nan 0.000 0.410 119 V N -0.097 119.418 119.914 -0.664 0.000 2.469 119 V HA -0.306 3.815 4.120 0.002 0.000 0.251 119 V C 1.524 177.115 176.094 -0.838 0.000 1.064 119 V CA 2.092 63.761 62.300 -1.052 0.000 1.066 119 V CB -0.974 30.027 31.823 -1.369 0.000 0.667 119 V HN 0.562 nan 8.190 nan 0.000 0.461 120 H N -1.566 117.252 119.070 -0.420 0.000 2.592 120 H HA 0.400 4.957 4.556 0.002 0.000 0.279 120 H C 1.227 176.431 175.328 -0.207 0.000 1.089 120 H CA 0.052 55.916 56.048 -0.308 0.000 1.150 120 H CB 0.438 30.063 29.762 -0.228 0.000 1.575 120 H HN 0.477 nan 8.280 nan 0.000 0.547 121 G N 0.441 109.174 108.800 -0.112 0.000 2.714 121 G HA2 0.180 4.141 3.960 0.002 0.000 0.197 121 G HA3 0.180 4.141 3.960 0.002 0.000 0.197 121 G C -0.010 174.873 174.900 -0.028 0.000 1.449 121 G CA -0.318 44.747 45.100 -0.059 0.000 1.065 121 G HN 0.301 nan 8.290 nan 0.000 0.575 122 S N -0.952 114.751 115.700 0.006 0.000 2.586 122 S HA 0.454 4.925 4.470 0.002 0.000 0.274 122 S C 1.574 176.231 174.600 0.095 0.000 1.281 122 S CA 0.322 58.557 58.200 0.058 0.000 1.035 122 S CB 1.278 64.515 63.200 0.062 0.000 0.962 122 S HN 1.037 nan 8.310 nan 0.000 0.512 123 G N 1.892 110.803 108.800 0.184 0.000 2.469 123 G HA2 -0.207 3.754 3.960 0.002 0.000 0.220 123 G HA3 -0.207 3.754 3.960 0.002 0.000 0.220 123 G C 1.481 176.582 174.900 0.335 0.000 1.136 123 G CA 1.021 46.309 45.100 0.315 0.000 0.759 123 G HN 0.713 nan 8.290 nan 0.000 0.562 124 S N 0.127 115.964 115.700 0.228 0.000 2.359 124 S HA -0.155 4.316 4.470 0.002 0.000 0.224 124 S C 2.443 177.136 174.600 0.155 0.000 1.035 124 S CA 1.656 59.971 58.200 0.191 0.000 1.018 124 S CB -0.250 63.020 63.200 0.116 0.000 0.876 124 S HN 0.573 nan 8.310 nan 0.000 0.448 125 Q N 0.037 119.894 119.800 0.095 0.000 2.124 125 Q HA -0.097 4.244 4.340 0.002 0.000 0.202 125 Q C 2.222 178.248 176.000 0.042 0.000 0.977 125 Q CA 1.172 57.011 55.803 0.059 0.000 0.850 125 Q CB -0.272 28.475 28.738 0.015 0.000 0.901 125 Q HN 0.372 nan 8.270 nan 0.000 0.429 126 L N -0.352 120.864 121.223 -0.011 0.000 1.994 126 L HA -0.131 4.210 4.340 0.002 0.000 0.208 126 L C 1.714 178.517 176.870 -0.112 0.000 1.071 126 L CA 1.808 56.567 54.840 -0.134 0.000 0.745 126 L CB -0.575 41.335 42.059 -0.250 0.000 0.892 126 L HN 0.109 nan 8.230 nan 0.000 0.431 127 F N 0.016 120.022 119.950 0.094 0.000 2.451 127 F HA -0.115 4.413 4.527 0.002 0.000 0.299 127 F C 2.176 178.012 175.800 0.060 0.000 1.101 127 F CA 1.009 59.050 58.000 0.069 0.000 1.436 127 F CB -0.606 38.426 39.000 0.052 0.000 1.074 127 F HN 0.209 nan 8.300 nan 0.000 0.553 128 D N -1.389 119.140 120.400 0.216 0.000 2.123 128 D HA -0.172 4.469 4.640 0.002 0.000 0.200 128 D C 2.305 178.697 176.300 0.153 0.000 0.976 128 D CA 1.081 55.174 54.000 0.155 0.000 0.831 128 D CB -0.469 40.406 40.800 0.124 0.000 0.974 128 D HN 0.303 nan 8.370 nan 0.000 0.469 129 H N 0.712 119.814 119.070 0.053 0.000 2.293 129 H HA -0.074 4.483 4.556 0.002 0.000 0.300 129 H C 1.992 177.368 175.328 0.080 0.000 1.082 129 H CA 1.233 57.314 56.048 0.055 0.000 1.308 129 H CB -0.002 29.764 29.762 0.006 0.000 1.375 129 H HN -0.071 nan 8.280 nan 0.000 0.495 130 V N 1.304 121.302 119.914 0.140 0.000 2.392 130 V HA -0.251 3.870 4.120 0.002 0.000 0.249 130 V C 2.975 179.132 176.094 0.105 0.000 1.059 130 V CA 1.566 63.919 62.300 0.088 0.000 1.051 130 V CB -1.086 30.725 31.823 -0.019 0.000 0.658 130 V HN 0.568 nan 8.190 nan 0.000 0.455 131 A N -0.842 122.052 122.820 0.123 0.000 1.970 131 A HA -0.170 4.151 4.320 0.002 0.000 0.216 131 A C 2.296 179.990 177.584 0.183 0.000 1.170 131 A CA 1.504 53.640 52.037 0.166 0.000 0.645 131 A CB -0.325 18.749 19.000 0.124 0.000 0.816 131 A HN 0.583 nan 8.150 nan 0.000 0.447 132 E N -0.501 119.751 120.200 0.087 0.000 2.046 132 E HA -0.166 4.185 4.350 0.002 0.000 0.190 132 E C 1.966 178.560 176.600 -0.010 0.000 0.982 132 E CA 1.393 57.828 56.400 0.058 0.000 0.800 132 E CB -0.192 29.513 29.700 0.008 0.000 0.756 132 E HN 0.599 nan 8.360 nan 0.000 0.449 133 C N 0.761 119.979 119.300 -0.137 0.000 2.413 133 C HA -0.156 4.305 4.460 0.002 0.000 0.276 133 C C 2.640 177.405 174.990 -0.375 0.000 1.248 133 C CA 0.593 59.392 59.018 -0.364 0.000 1.742 133 C CB -1.013 26.378 27.740 -0.582 0.000 2.017 133 C HN 0.519 nan 8.230 nan 0.000 0.481 134 L N 1.901 122.995 121.223 -0.215 0.000 2.093 134 L HA 0.087 4.428 4.340 0.002 0.000 0.208 134 L C 2.329 179.040 176.870 -0.265 0.000 1.085 134 L CA 2.379 57.080 54.840 -0.233 0.000 0.755 134 L CB -1.380 40.588 42.059 -0.152 0.000 0.904 134 L HN 0.299 nan 8.230 nan 0.000 0.435 135 G N -0.681 107.995 108.800 -0.207 0.000 2.421 135 G HA2 -0.323 3.638 3.960 0.002 0.000 0.216 135 G HA3 -0.323 3.638 3.960 0.002 0.000 0.216 135 G C 1.396 176.253 174.900 -0.072 0.000 1.171 135 G CA 0.760 45.713 45.100 -0.244 0.000 0.775 135 G HN 0.548 nan 8.290 nan 0.000 0.543 136 D N 0.151 120.570 120.400 0.031 0.000 2.104 136 D HA -0.187 4.454 4.640 0.002 0.000 0.194 136 D C 2.148 178.521 176.300 0.122 0.000 0.994 136 D CA 0.891 54.948 54.000 0.095 0.000 0.830 136 D CB -0.335 40.575 40.800 0.184 0.000 0.959 136 D HN 0.257 nan 8.370 nan 0.000 0.452 137 F N 1.184 121.142 119.950 0.014 0.000 2.095 137 F HA -0.149 4.379 4.527 0.002 0.000 0.298 137 F C 2.534 178.302 175.800 -0.053 0.000 1.104 137 F CA 1.621 59.637 58.000 0.027 0.000 1.232 137 F CB -0.360 38.624 39.000 -0.026 0.000 0.987 137 F HN -0.100 nan 8.300 nan 0.000 0.475 138 M N -0.459 119.224 119.600 0.138 0.000 2.374 138 M HA -0.142 4.339 4.480 0.002 0.000 0.264 138 M C 1.917 178.168 176.300 -0.080 0.000 1.067 138 M CA 1.479 56.779 55.300 -0.001 0.000 1.103 138 M CB -0.357 32.181 32.600 -0.104 0.000 1.402 138 M HN 0.160 nan 8.290 nan 0.000 0.444 139 E N 1.035 121.194 120.200 -0.067 0.000 2.051 139 E HA -0.075 4.276 4.350 0.002 0.000 0.189 139 E C 1.655 178.206 176.600 -0.083 0.000 0.979 139 E CA 1.262 57.630 56.400 -0.054 0.000 0.803 139 E CB 0.099 29.787 29.700 -0.019 0.000 0.761 139 E HN 0.270 nan 8.360 nan 0.000 0.451 140 K N -0.314 120.018 120.400 -0.114 0.000 2.281 140 K HA -0.110 4.211 4.320 0.002 0.000 0.203 140 K C 1.686 178.176 176.600 -0.184 0.000 1.046 140 K CA 1.095 57.296 56.287 -0.145 0.000 0.938 140 K CB 0.030 32.425 32.500 -0.177 0.000 0.737 140 K HN -0.070 nan 8.250 nan 0.000 0.458 141 R N 0.085 120.450 120.500 -0.225 0.000 2.365 141 R HA 0.151 4.492 4.340 0.002 0.000 0.223 141 R C -0.288 175.941 176.300 -0.117 0.000 0.899 141 R CA 0.002 55.983 56.100 -0.200 0.000 1.059 141 R CB 0.442 30.570 30.300 -0.287 0.000 1.086 141 R HN -0.029 nan 8.270 nan 0.000 0.522 142 K N 0.963 121.307 120.400 -0.094 0.000 3.077 142 K HA -0.165 4.156 4.320 0.002 0.000 0.264 142 K C 0.109 176.680 176.600 -0.047 0.000 1.008 142 K CA 0.907 57.160 56.287 -0.058 0.000 0.740 142 K CB -1.455 31.017 32.500 -0.048 0.000 1.273 142 K HN 0.439 nan 8.250 nan 0.000 0.477 143 I N -3.409 117.132 120.570 -0.049 0.000 3.914 143 I HA 0.066 4.237 4.170 0.002 0.000 0.333 143 I C 1.450 177.555 176.117 -0.020 0.000 1.449 143 I CA -0.649 60.632 61.300 -0.030 0.000 1.135 143 I CB 0.200 38.187 38.000 -0.021 0.000 1.073 143 I HN 0.005 nan 8.210 nan 0.000 0.401 144 K N 1.919 122.307 120.400 -0.020 0.000 2.032 144 K HA -0.164 4.156 4.320 0.002 0.000 0.209 144 K C 1.168 177.783 176.600 0.024 0.000 1.048 144 K CA 2.040 58.327 56.287 -0.000 0.000 0.927 144 K CB -0.222 32.290 32.500 0.020 0.000 0.712 144 K HN 0.463 nan 8.250 nan 0.000 0.441 145 D N 1.320 121.729 120.400 0.015 0.000 2.228 145 D HA -0.123 4.518 4.640 0.002 0.000 0.203 145 D C 0.337 176.645 176.300 0.013 0.000 0.988 145 D CA 1.194 55.204 54.000 0.016 0.000 0.864 145 D CB -0.073 40.731 40.800 0.006 0.000 0.928 145 D HN 0.249 nan 8.370 nan 0.000 0.469 146 K N 1.914 122.315 120.400 0.002 0.000 2.234 146 K HA 0.110 4.431 4.320 0.002 0.000 0.282 146 K C 0.830 177.430 176.600 -0.001 0.000 1.039 146 K CA -0.491 55.792 56.287 -0.008 0.000 0.928 146 K CB 1.088 33.571 32.500 -0.027 0.000 1.039 146 K HN -0.061 nan 8.250 nan 0.000 0.470 147 K N 4.430 124.830 120.400 0.002 0.000 3.277 147 K HA 0.087 4.408 4.320 0.002 0.000 0.280 147 K C -0.085 176.497 176.600 -0.030 0.000 1.182 147 K CA 0.023 56.318 56.287 0.013 0.000 1.219 147 K CB -0.751 31.771 32.500 0.037 0.000 1.373 147 K HN 0.509 nan 8.250 nan 0.000 0.392 148 L N 2.244 123.437 121.223 -0.050 0.000 2.513 148 L HA 0.061 4.402 4.340 0.002 0.000 0.272 148 L C -1.906 174.919 176.870 -0.075 0.000 1.187 148 L CA -1.608 53.172 54.840 -0.100 0.000 0.895 148 L CB -0.239 41.779 42.059 -0.067 0.000 1.147 148 L HN 0.054 nan 8.230 nan 0.000 0.483 149 P HA 0.030 nan 4.420 nan 0.000 0.266 149 P C -0.797 176.536 177.300 0.054 0.000 1.195 149 P CA -0.065 63.005 63.100 -0.050 0.000 0.768 149 P CB 0.690 32.316 31.700 -0.123 0.000 0.838 150 V N 3.289 123.234 119.914 0.051 0.000 2.417 150 V HA 0.623 4.744 4.120 0.002 0.000 0.291 150 V C 0.752 176.882 176.094 0.061 0.000 1.024 150 V CA -0.389 61.935 62.300 0.040 0.000 0.861 150 V CB 1.637 33.462 31.823 0.003 0.000 0.985 150 V HN 0.711 nan 8.190 nan 0.000 0.436 151 G N 3.414 112.252 108.800 0.063 0.000 2.379 151 G HA2 0.599 4.560 3.960 0.002 0.000 0.327 151 G HA3 0.599 4.560 3.960 0.002 0.000 0.327 151 G C -1.338 173.674 174.900 0.186 0.000 1.145 151 G CA -0.278 44.875 45.100 0.089 0.000 0.905 151 G HN 0.394 nan 8.290 nan 0.000 0.466 152 F N 2.250 122.218 119.950 0.029 0.000 2.427 152 F HA 0.517 5.045 4.527 0.002 0.000 0.348 152 F C 0.061 175.915 175.800 0.090 0.000 1.125 152 F CA -1.353 56.683 58.000 0.061 0.000 0.989 152 F CB 1.825 40.854 39.000 0.049 0.000 1.165 152 F HN 0.244 nan 8.300 nan 0.000 0.442 153 T N 7.603 122.379 114.554 0.370 0.000 2.811 153 T HA 0.251 4.602 4.350 0.002 0.000 0.309 153 T C -0.930 173.772 174.700 0.002 0.000 1.005 153 T CA -0.045 62.114 62.100 0.099 0.000 0.955 153 T CB -0.345 68.578 68.868 0.091 0.000 0.970 153 T HN 0.320 nan 8.240 nan 0.000 0.496 154 F N 4.178 123.859 119.950 -0.447 0.000 2.325 154 F HA 0.321 4.849 4.527 0.002 0.000 0.369 154 F C 0.708 176.273 175.800 -0.392 0.000 1.095 154 F CA -1.989 55.708 58.000 -0.504 0.000 1.082 154 F CB 0.786 39.345 39.000 -0.734 0.000 1.289 154 F HN 0.438 nan 8.300 nan 0.000 0.462 155 S N 5.108 120.315 115.700 -0.822 0.000 4.085 155 S HA 0.419 4.890 4.470 0.002 0.000 0.189 155 S C -0.669 173.085 174.600 -1.410 0.000 1.392 155 S CA -0.188 57.460 58.200 -0.921 0.000 0.972 155 S CB -1.149 61.596 63.200 -0.757 0.000 1.482 155 S HN 0.324 nan 8.310 nan 0.000 0.446 156 F N 0.348 120.000 119.950 -0.496 0.000 2.662 156 F HA 0.550 5.078 4.527 0.002 0.000 0.312 156 F C -2.682 172.976 175.800 -0.236 0.000 1.113 156 F CA -2.613 55.149 58.000 -0.397 0.000 0.951 156 F CB 1.130 39.748 39.000 -0.636 0.000 1.344 156 F HN -0.056 nan 8.300 nan 0.000 0.462 157 P HA 0.224 nan 4.420 nan 0.000 0.271 157 P C -0.999 176.308 177.300 0.012 0.000 1.226 157 P CA 0.056 63.167 63.100 0.017 0.000 0.765 157 P CB 0.693 32.414 31.700 0.035 0.000 0.835 158 C N 3.152 122.462 119.300 0.017 0.000 2.547 158 C HA 0.370 4.831 4.460 0.002 0.000 0.313 158 C C 0.128 175.135 174.990 0.028 0.000 1.191 158 C CA -0.283 58.754 59.018 0.031 0.000 1.474 158 C CB 1.557 29.338 27.740 0.069 0.000 2.081 158 C HN 0.513 nan 8.230 nan 0.000 0.476 159 Q N 2.343 122.158 119.800 0.025 0.000 2.279 159 Q HA 0.491 4.832 4.340 0.002 0.000 0.256 159 Q C -0.784 175.252 176.000 0.060 0.000 0.937 159 Q CA 0.793 56.618 55.803 0.036 0.000 0.933 159 Q CB 0.501 29.251 28.738 0.020 0.000 1.189 159 Q HN 0.745 nan 8.270 nan 0.000 0.417 160 Q N 1.604 121.474 119.800 0.117 0.000 2.331 160 Q HA 0.370 4.711 4.340 0.002 0.000 0.272 160 Q C -0.352 175.814 176.000 0.278 0.000 1.062 160 Q CA -0.350 55.554 55.803 0.168 0.000 0.806 160 Q CB 2.062 30.943 28.738 0.238 0.000 1.312 160 Q HN 0.827 nan 8.270 nan 0.000 0.431 161 S N 0.726 116.457 115.700 0.050 0.000 2.523 161 S HA 0.176 4.647 4.470 0.002 0.000 0.217 161 S C 0.041 174.270 174.600 -0.619 0.000 0.996 161 S CA -0.137 58.024 58.200 -0.065 0.000 0.921 161 S CB 0.062 63.224 63.200 -0.063 0.000 0.829 161 S HN 0.599 nan 8.310 nan 0.000 0.495 162 K N -0.468 119.537 120.400 -0.658 0.000 2.568 162 K HA 0.479 4.800 4.320 0.002 0.000 0.273 162 K C -0.169 176.198 176.600 -0.388 0.000 0.951 162 K CA -0.882 54.919 56.287 -0.810 0.000 0.854 162 K CB 0.617 32.870 32.500 -0.411 0.000 1.424 162 K HN -0.064 nan 8.250 nan 0.000 0.427 163 I N 1.053 121.472 120.570 -0.253 0.000 2.700 163 I HA -0.215 3.956 4.170 0.002 0.000 0.261 163 I C 0.499 176.619 176.117 0.005 0.000 1.219 163 I CA 1.660 62.961 61.300 0.001 0.000 1.463 163 I CB 0.054 38.081 38.000 0.046 0.000 1.092 163 I HN 0.771 nan 8.210 nan 0.000 0.452 164 D N 0.051 120.430 120.400 -0.034 0.000 2.525 164 D HA 0.056 4.697 4.640 0.002 0.000 0.229 164 D C 0.184 176.476 176.300 -0.014 0.000 1.202 164 D CA -0.139 53.859 54.000 -0.003 0.000 0.828 164 D CB -0.172 40.626 40.800 -0.004 0.000 1.008 164 D HN 0.471 nan 8.370 nan 0.000 0.493 165 E N 0.208 120.395 120.200 -0.021 0.000 2.292 165 E HA 0.580 4.931 4.350 0.002 0.000 0.272 165 E C -1.854 174.748 176.600 0.003 0.000 0.881 165 E CA -1.078 55.307 56.400 -0.024 0.000 0.754 165 E CB 2.082 31.750 29.700 -0.053 0.000 1.201 165 E HN 0.039 nan 8.360 nan 0.000 0.425 166 A N 5.585 128.404 122.820 -0.003 0.000 2.768 166 A HA 0.377 4.698 4.320 0.002 0.000 0.298 166 A C -1.174 176.409 177.584 -0.001 0.000 1.159 166 A CA -0.570 51.476 52.037 0.014 0.000 0.783 166 A CB 0.037 19.048 19.000 0.018 0.000 1.333 166 A HN 0.546 nan 8.150 nan 0.000 0.412 167 I N 2.536 123.106 120.570 -0.001 0.000 2.322 167 I HA 0.169 4.340 4.170 0.002 0.000 0.292 167 I C 0.279 176.384 176.117 -0.021 0.000 1.060 167 I CA -0.448 60.840 61.300 -0.019 0.000 1.309 167 I CB 1.158 39.146 38.000 -0.019 0.000 1.415 167 I HN 0.641 nan 8.210 nan 0.000 0.492 168 L N 8.123 129.316 121.223 -0.049 0.000 2.513 168 L HA 0.107 4.448 4.340 0.002 0.000 0.272 168 L C 0.807 177.600 176.870 -0.128 0.000 1.187 168 L CA 0.929 55.701 54.840 -0.113 0.000 0.895 168 L CB 0.120 42.008 42.059 -0.285 0.000 1.147 168 L HN 0.594 nan 8.230 nan 0.000 0.483 169 I N 2.536 123.047 120.570 -0.098 0.000 2.400 169 I HA 0.014 4.185 4.170 0.002 0.000 0.248 169 I C 0.729 176.795 176.117 -0.085 0.000 1.109 169 I CA 0.954 62.216 61.300 -0.063 0.000 1.425 169 I CB -0.022 37.966 38.000 -0.020 0.000 1.094 169 I HN 0.771 nan 8.210 nan 0.000 0.425 170 T N -1.387 113.091 114.554 -0.128 0.000 3.003 170 T HA 0.204 4.555 4.350 0.002 0.000 0.354 170 T C -2.094 172.545 174.700 -0.101 0.000 1.651 170 T CA -0.638 61.402 62.100 -0.100 0.000 1.103 170 T CB 0.429 69.310 68.868 0.022 0.000 1.450 170 T HN 0.112 nan 8.240 nan 0.000 0.484 171 W N 2.619 123.905 121.300 -0.024 0.000 2.150 171 W HA 0.514 5.175 4.660 0.002 0.000 0.341 171 W C 1.058 177.611 176.519 0.056 0.000 1.276 171 W CA 0.003 57.289 57.345 -0.098 0.000 1.238 171 W CB 1.055 30.472 29.460 -0.072 0.000 1.128 171 W HN 0.856 nan 8.180 nan 0.000 0.581 172 T N -1.100 113.746 114.554 0.486 0.000 2.812 172 T HA 0.591 4.942 4.350 0.002 0.000 0.294 172 T C -0.233 174.736 174.700 0.448 0.000 1.159 172 T CA -1.024 61.325 62.100 0.416 0.000 1.008 172 T CB 2.328 71.418 68.868 0.370 0.000 1.289 172 T HN 0.618 nan 8.240 nan 0.000 0.514 173 K N -0.072 120.545 120.400 0.362 0.000 1.941 173 K HA -0.271 4.050 4.320 0.002 0.000 0.187 173 K C 1.415 178.181 176.600 0.276 0.000 1.490 173 K CA 1.489 57.956 56.287 0.301 0.000 0.446 173 K CB -0.980 31.681 32.500 0.269 0.000 0.688 173 K HN 0.804 nan 8.250 nan 0.000 0.803 174 R N 0.436 121.103 120.500 0.279 0.000 2.280 174 R HA 0.174 4.515 4.340 0.002 0.000 0.195 174 R C 0.563 176.965 176.300 0.169 0.000 0.935 174 R CA 0.199 56.426 56.100 0.212 0.000 1.033 174 R CB -0.075 30.276 30.300 0.085 0.000 0.964 174 R HN 0.073 nan 8.270 nan 0.000 0.489 175 F N 2.125 122.025 119.950 -0.083 0.000 2.471 175 F HA 0.148 4.676 4.527 0.002 0.000 0.353 175 F C 0.862 176.327 175.800 -0.559 0.000 1.113 175 F CA 0.138 57.850 58.000 -0.479 0.000 1.262 175 F CB 0.861 39.344 39.000 -0.861 0.000 1.146 175 F HN -0.195 nan 8.300 nan 0.000 0.578 176 K N 2.072 122.112 120.400 -0.601 0.000 3.438 176 K HA 0.518 4.839 4.320 0.002 0.000 0.171 176 K C -1.387 174.978 176.600 -0.392 0.000 1.154 176 K CA -0.006 56.011 56.287 -0.450 0.000 0.728 176 K CB 0.254 32.698 32.500 -0.093 0.000 0.956 176 K HN 0.580 nan 8.250 nan 0.000 0.529 177 A N 1.060 123.484 122.820 -0.660 0.000 2.309 177 A HA 0.573 4.894 4.320 0.002 0.000 0.298 177 A C 0.124 177.840 177.584 0.220 0.000 1.165 177 A CA -0.227 51.719 52.037 -0.152 0.000 0.821 177 A CB 0.561 19.487 19.000 -0.123 0.000 1.102 177 A HN 0.591 nan 8.150 nan 0.000 0.500 178 S N 1.673 117.469 115.700 0.161 0.000 2.601 178 S HA 0.536 5.007 4.470 0.002 0.000 0.271 178 S C 0.979 175.705 174.600 0.211 0.000 1.305 178 S CA 0.286 58.600 58.200 0.190 0.000 1.022 178 S CB 0.944 64.209 63.200 0.109 0.000 0.940 178 S HN 2.557 nan 8.310 nan 0.000 0.525 179 G N 0.762 109.672 108.800 0.184 0.000 2.147 179 G HA2 -0.210 3.751 3.960 0.002 0.000 0.244 179 G HA3 -0.210 3.751 3.960 0.002 0.000 0.244 179 G C 0.314 175.322 174.900 0.180 0.000 1.005 179 G CA 0.187 45.378 45.100 0.151 0.000 0.713 179 G HN 1.099 nan 8.290 nan 0.000 0.515 180 V N -0.713 119.341 119.914 0.234 0.000 3.090 180 V HA 0.215 4.336 4.120 0.002 0.000 0.237 180 V C 1.351 177.445 176.094 -0.001 0.000 1.209 180 V CA 0.868 63.289 62.300 0.201 0.000 1.209 180 V CB 0.022 32.109 31.823 0.439 0.000 0.971 180 V HN 0.439 nan 8.190 nan 0.000 0.477 181 E N 1.010 121.172 120.200 -0.062 0.000 2.558 181 E HA 0.284 4.635 4.350 0.002 0.000 0.255 181 E C 1.240 177.805 176.600 -0.059 0.000 0.968 181 E CA 0.992 57.305 56.400 -0.145 0.000 0.939 181 E CB 0.258 29.903 29.700 -0.091 0.000 0.921 181 E HN 0.552 nan 8.360 nan 0.000 0.477 182 G N 1.905 110.663 108.800 -0.070 0.000 2.195 182 G HA2 -0.293 3.668 3.960 0.002 0.000 0.246 182 G HA3 -0.293 3.668 3.960 0.002 0.000 0.246 182 G C 0.283 175.163 174.900 -0.033 0.000 0.984 182 G CA 0.042 45.120 45.100 -0.037 0.000 0.633 182 G HN 0.784 nan 8.290 nan 0.000 0.525 183 A N -0.460 122.337 122.820 -0.039 0.000 2.261 183 A HA 0.678 4.999 4.320 0.002 0.000 0.323 183 A C -0.329 177.220 177.584 -0.058 0.000 1.107 183 A CA 0.287 52.299 52.037 -0.041 0.000 0.883 183 A CB 0.940 19.922 19.000 -0.030 0.000 1.251 183 A HN 0.335 nan 8.150 nan 0.000 0.502 184 D N 0.652 121.006 120.400 -0.076 0.000 2.443 184 D HA 0.253 4.894 4.640 0.002 0.000 0.221 184 D C 1.373 177.584 176.300 -0.149 0.000 1.097 184 D CA 0.047 53.994 54.000 -0.087 0.000 0.865 184 D CB 1.087 41.841 40.800 -0.077 0.000 1.034 184 D HN 0.397 nan 8.370 nan 0.000 0.511 185 V N 2.657 122.480 119.914 -0.152 0.000 2.660 185 V HA -0.204 3.917 4.120 0.002 0.000 0.257 185 V C 1.762 177.690 176.094 -0.276 0.000 1.088 185 V CA 1.288 63.426 62.300 -0.270 0.000 1.106 185 V CB -0.763 30.939 31.823 -0.202 0.000 0.686 185 V HN 0.382 nan 8.190 nan 0.000 0.481 186 V N 0.418 120.257 119.914 -0.125 0.000 2.270 186 V HA -0.198 3.923 4.120 0.002 0.000 0.245 186 V C 2.834 178.837 176.094 -0.151 0.000 1.043 186 V CA 2.566 64.823 62.300 -0.071 0.000 1.014 186 V CB -0.780 31.029 31.823 -0.023 0.000 0.645 186 V HN 0.529 nan 8.190 nan 0.000 0.447 187 K N -0.219 120.088 120.400 -0.155 0.000 2.057 187 K HA -0.101 4.220 4.320 0.002 0.000 0.207 187 K C 2.147 178.611 176.600 -0.226 0.000 1.049 187 K CA 1.282 57.477 56.287 -0.153 0.000 0.931 187 K CB -0.321 32.107 32.500 -0.120 0.000 0.714 187 K HN 0.349 nan 8.250 nan 0.000 0.440 188 L N 0.662 121.673 121.223 -0.354 0.000 2.083 188 L HA -0.186 4.155 4.340 0.002 0.000 0.209 188 L C 2.438 178.930 176.870 -0.630 0.000 1.083 188 L CA 0.632 55.160 54.840 -0.521 0.000 0.752 188 L CB -0.279 41.310 42.059 -0.783 0.000 0.899 188 L HN 0.181 nan 8.230 nan 0.000 0.433 189 L N -0.382 120.443 121.223 -0.664 0.000 2.131 189 L HA -0.083 4.258 4.340 0.002 0.000 0.206 189 L C 2.156 178.924 176.870 -0.171 0.000 1.087 189 L CA 1.513 56.143 54.840 -0.350 0.000 0.767 189 L CB -0.676 41.267 42.059 -0.193 0.000 0.917 189 L HN 0.161 nan 8.230 nan 0.000 0.441 190 N N 0.315 118.914 118.700 -0.168 0.000 2.166 190 N HA -0.237 4.504 4.740 0.002 0.000 0.186 190 N C 1.806 177.249 175.510 -0.111 0.000 1.019 190 N CA 1.397 54.379 53.050 -0.114 0.000 0.856 190 N CB -0.156 38.273 38.487 -0.096 0.000 0.993 190 N HN 0.468 nan 8.380 nan 0.000 0.426 191 K N 0.824 121.151 120.400 -0.122 0.000 2.026 191 K HA -0.036 4.285 4.320 0.002 0.000 0.208 191 K C 1.913 178.468 176.600 -0.075 0.000 1.048 191 K CA 1.301 57.532 56.287 -0.093 0.000 0.929 191 K CB -0.114 32.331 32.500 -0.092 0.000 0.713 191 K HN 0.056 nan 8.250 nan 0.000 0.439 192 A N 1.252 124.036 122.820 -0.060 0.000 1.940 192 A HA -0.151 4.170 4.320 0.002 0.000 0.219 192 A C 2.091 179.639 177.584 -0.060 0.000 1.176 192 A CA 1.568 53.597 52.037 -0.013 0.000 0.631 192 A CB -0.536 18.506 19.000 0.071 0.000 0.814 192 A HN 0.376 nan 8.150 nan 0.000 0.446 193 I N -0.850 119.654 120.570 -0.110 0.000 2.163 193 I HA -0.221 3.950 4.170 0.002 0.000 0.240 193 I C 2.493 178.445 176.117 -0.275 0.000 1.081 193 I CA 1.763 62.911 61.300 -0.254 0.000 1.353 193 I CB -0.192 37.648 38.000 -0.267 0.000 1.054 193 I HN 0.307 nan 8.210 nan 0.000 0.407 194 K N 1.175 121.467 120.400 -0.180 0.000 2.152 194 K HA -0.251 4.070 4.320 0.002 0.000 0.206 194 K C 2.139 178.671 176.600 -0.113 0.000 1.048 194 K CA 1.514 57.716 56.287 -0.141 0.000 0.933 194 K CB -0.035 32.407 32.500 -0.097 0.000 0.721 194 K HN 0.097 nan 8.250 nan 0.000 0.447 195 K N 0.201 120.545 120.400 -0.093 0.000 2.362 195 K HA -0.076 4.245 4.320 0.002 0.000 0.200 195 K C 1.791 178.353 176.600 -0.062 0.000 1.046 195 K CA 0.811 57.062 56.287 -0.060 0.000 0.952 195 K CB 0.184 32.663 32.500 -0.035 0.000 0.753 195 K HN 0.123 nan 8.250 nan 0.000 0.466 196 R N -1.191 119.247 120.500 -0.104 0.000 2.173 196 R HA 0.034 4.375 4.340 0.002 0.000 0.208 196 R C 1.364 177.606 176.300 -0.096 0.000 1.035 196 R CA 0.698 56.742 56.100 -0.094 0.000 1.004 196 R CB 0.201 30.420 30.300 -0.134 0.000 0.917 196 R HN 0.364 nan 8.270 nan 0.000 0.462 197 G N 1.598 110.318 108.800 -0.134 0.000 2.230 197 G HA2 -0.416 3.545 3.960 0.002 0.000 0.270 197 G HA3 -0.416 3.545 3.960 0.002 0.000 0.270 197 G C 0.512 175.369 174.900 -0.072 0.000 0.987 197 G CA 1.341 46.384 45.100 -0.096 0.000 0.664 197 G HN 0.468 nan 8.290 nan 0.000 0.539 198 D N -0.948 119.399 120.400 -0.089 0.000 2.117 198 D HA 0.162 4.803 4.640 0.002 0.000 0.198 198 D C 1.139 177.519 176.300 0.134 0.000 0.982 198 D CA 1.950 55.975 54.000 0.042 0.000 0.828 198 D CB 0.034 40.921 40.800 0.146 0.000 0.967 198 D HN 0.839 nan 8.370 nan 0.000 0.464 199 Y N -2.892 117.411 120.300 0.005 0.000 2.967 199 Y HA 0.555 5.106 4.550 0.002 0.000 0.311 199 Y C -1.559 174.341 175.900 0.000 0.000 1.555 199 Y CA -1.422 56.681 58.100 0.005 0.000 1.084 199 Y CB 0.803 39.268 38.460 0.009 0.000 1.508 199 Y HN -0.371 nan 8.280 nan 0.000 0.457 200 D N 0.645 121.197 120.400 0.253 0.000 2.629 200 D HA 0.636 5.277 4.640 0.002 0.000 0.250 200 D C -1.228 175.210 176.300 0.229 0.000 1.126 200 D CA -0.211 53.860 54.000 0.119 0.000 0.852 200 D CB 2.233 43.076 40.800 0.072 0.000 1.335 200 D HN 0.947 nan 8.370 nan 0.000 0.518 201 A N 2.981 125.887 122.820 0.143 0.000 2.320 201 A HA 0.490 4.811 4.320 0.002 0.000 0.334 201 A C 0.037 177.663 177.584 0.069 0.000 1.147 201 A CA -0.673 51.449 52.037 0.143 0.000 0.820 201 A CB 0.802 19.886 19.000 0.140 0.000 1.218 201 A HN 0.644 nan 8.150 nan 0.000 0.482 202 N N 1.850 120.588 118.700 0.063 0.000 2.679 202 N HA 0.236 4.977 4.740 0.002 0.000 0.302 202 N C -1.171 174.376 175.510 0.062 0.000 1.941 202 N CA -0.366 52.722 53.050 0.064 0.000 0.875 202 N CB -0.005 38.531 38.487 0.081 0.000 1.278 202 N HN 0.616 nan 8.380 nan 0.000 0.490 203 I N 1.739 122.334 120.570 0.042 0.000 2.907 203 I HA -0.119 4.052 4.170 0.002 0.000 0.285 203 I C 1.355 177.513 176.117 0.070 0.000 1.189 203 I CA 0.253 61.581 61.300 0.047 0.000 1.376 203 I CB 0.930 38.948 38.000 0.029 0.000 1.420 203 I HN 0.210 nan 8.210 nan 0.000 0.544 204 V N 6.178 126.146 119.914 0.089 0.000 3.471 204 V HA 0.356 4.477 4.120 0.002 0.000 0.258 204 V C 0.784 176.924 176.094 0.076 0.000 1.192 204 V CA 0.925 63.285 62.300 0.100 0.000 1.116 204 V CB -0.310 31.610 31.823 0.162 0.000 0.792 204 V HN 0.860 nan 8.190 nan 0.000 0.459 205 A N -0.863 122.008 122.820 0.085 0.000 2.605 205 A HA 0.708 5.029 4.320 0.002 0.000 0.294 205 A C -1.583 176.072 177.584 0.118 0.000 1.062 205 A CA -0.350 51.734 52.037 0.078 0.000 0.682 205 A CB 1.764 20.795 19.000 0.052 0.000 1.278 205 A HN -0.100 nan 8.150 nan 0.000 0.410 206 V N 1.678 121.649 119.914 0.095 0.000 2.487 206 V HA 0.683 4.804 4.120 0.002 0.000 0.298 206 V C -0.212 175.906 176.094 0.040 0.000 1.028 206 V CA -0.360 61.988 62.300 0.080 0.000 0.860 206 V CB 1.407 33.254 31.823 0.041 0.000 0.991 206 V HN 1.441 nan 8.190 nan 0.000 0.427 207 V N 1.813 121.736 119.914 0.016 0.000 2.914 207 V HA 0.660 4.781 4.120 0.002 0.000 0.314 207 V C -0.261 175.805 176.094 -0.046 0.000 1.084 207 V CA -0.874 61.421 62.300 -0.008 0.000 0.963 207 V CB 2.027 33.845 31.823 -0.010 0.000 1.025 207 V HN 0.821 nan 8.190 nan 0.000 0.432 208 N N 1.528 120.186 118.700 -0.069 0.000 2.493 208 N HA 0.096 4.837 4.740 0.002 0.000 0.275 208 N C 0.495 175.933 175.510 -0.119 0.000 1.186 208 N CA 0.204 53.183 53.050 -0.118 0.000 0.978 208 N CB 1.876 40.289 38.487 -0.123 0.000 1.184 208 N HN 0.980 nan 8.380 nan 0.000 0.487 209 D N 0.701 121.008 120.400 -0.155 0.000 2.218 209 D HA -0.195 4.446 4.640 0.002 0.000 0.204 209 D C 1.663 177.894 176.300 -0.114 0.000 0.976 209 D CA 1.812 55.737 54.000 -0.126 0.000 0.853 209 D CB -0.836 39.876 40.800 -0.147 0.000 0.939 209 D HN 0.696 nan 8.370 nan 0.000 0.481 210 T N -1.899 112.575 114.554 -0.134 0.000 2.915 210 T HA -0.052 4.299 4.350 0.002 0.000 0.269 210 T C 2.094 176.732 174.700 -0.103 0.000 1.071 210 T CA 0.853 62.873 62.100 -0.132 0.000 1.132 210 T CB -0.659 68.103 68.868 -0.176 0.000 0.878 210 T HN 0.068 nan 8.240 nan 0.000 0.479 211 V N 1.553 121.409 119.914 -0.096 0.000 2.488 211 V HA 0.136 4.257 4.120 0.002 0.000 0.246 211 V C 3.003 179.062 176.094 -0.058 0.000 1.046 211 V CA 1.604 63.858 62.300 -0.076 0.000 1.053 211 V CB -1.108 30.671 31.823 -0.073 0.000 0.679 211 V HN 0.672 nan 8.190 nan 0.000 0.458 212 G N -0.621 108.144 108.800 -0.059 0.000 2.421 212 G HA2 -0.238 3.723 3.960 0.002 0.000 0.216 212 G HA3 -0.238 3.723 3.960 0.002 0.000 0.216 212 G C 1.703 176.577 174.900 -0.043 0.000 1.171 212 G CA 1.526 46.598 45.100 -0.047 0.000 0.775 212 G HN 0.436 nan 8.290 nan 0.000 0.543 213 T N 0.948 115.472 114.554 -0.050 0.000 2.720 213 T HA -0.193 4.158 4.350 0.002 0.000 0.268 213 T C 2.262 176.944 174.700 -0.030 0.000 1.037 213 T CA 1.579 63.653 62.100 -0.042 0.000 1.144 213 T CB -0.226 68.608 68.868 -0.057 0.000 0.864 213 T HN 0.325 nan 8.240 nan 0.000 0.444 214 M N 0.169 119.747 119.600 -0.036 0.000 2.117 214 M HA -0.095 4.386 4.480 0.002 0.000 0.262 214 M C 1.975 178.271 176.300 -0.006 0.000 1.065 214 M CA 1.600 56.886 55.300 -0.023 0.000 1.114 214 M CB -0.187 32.394 32.600 -0.033 0.000 1.361 214 M HN 0.099 nan 8.290 nan 0.000 0.408 215 M N -0.004 119.589 119.600 -0.011 0.000 2.159 215 M HA -0.130 4.351 4.480 0.002 0.000 0.263 215 M C 2.093 178.414 176.300 0.035 0.000 1.063 215 M CA 1.658 56.962 55.300 0.007 0.000 1.110 215 M CB -1.737 30.856 32.600 -0.011 0.000 1.374 215 M HN 0.320 nan 8.290 nan 0.000 0.411 216 T N 0.130 114.690 114.554 0.010 0.000 2.701 216 T HA -0.136 4.215 4.350 0.002 0.000 0.263 216 T C 1.957 176.693 174.700 0.061 0.000 1.040 216 T CA 1.604 63.711 62.100 0.011 0.000 1.147 216 T CB -0.328 68.530 68.868 -0.017 0.000 0.865 216 T HN 0.428 nan 8.240 nan 0.000 0.426 217 C N 1.396 120.723 119.300 0.045 0.000 2.432 217 C HA 0.107 4.568 4.460 0.002 0.000 0.280 217 C C 2.964 177.998 174.990 0.073 0.000 1.353 217 C CA 0.161 59.213 59.018 0.058 0.000 1.766 217 C CB -1.549 26.212 27.740 0.035 0.000 1.924 217 C HN 0.728 nan 8.230 nan 0.000 0.509 218 G N -1.275 107.566 108.800 0.068 0.000 2.421 218 G HA2 -0.236 3.725 3.960 0.002 0.000 0.217 218 G HA3 -0.236 3.725 3.960 0.002 0.000 0.217 218 G C 1.320 176.264 174.900 0.073 0.000 1.143 218 G CA 0.521 45.653 45.100 0.054 0.000 0.784 218 G HN 0.564 nan 8.290 nan 0.000 0.541 219 Y N 1.623 121.915 120.300 -0.013 0.000 2.165 219 Y HA -0.161 4.390 4.550 0.002 0.000 0.286 219 Y C 2.248 178.144 175.900 -0.008 0.000 1.155 219 Y CA 2.195 60.287 58.100 -0.013 0.000 1.164 219 Y CB 0.212 38.667 38.460 -0.010 0.000 0.978 219 Y HN 0.202 nan 8.280 nan 0.000 0.513 220 D N -1.049 119.455 120.400 0.174 0.000 2.305 220 D HA -0.042 4.599 4.640 0.002 0.000 0.206 220 D C -0.128 176.196 176.300 0.039 0.000 0.974 220 D CA 0.869 54.927 54.000 0.097 0.000 0.871 220 D CB 0.147 41.022 40.800 0.126 0.000 0.947 220 D HN 0.278 nan 8.370 nan 0.000 0.516 221 D N 0.917 121.341 120.400 0.039 0.000 2.402 221 D HA 0.038 4.679 4.640 0.002 0.000 0.252 221 D C 0.362 176.672 176.300 0.017 0.000 1.294 221 D CA -0.316 53.709 54.000 0.041 0.000 0.948 221 D CB 0.932 41.770 40.800 0.064 0.000 1.202 221 D HN -0.302 nan 8.370 nan 0.000 0.561 222 Q N 1.699 121.475 119.800 -0.040 0.000 2.518 222 Q HA -0.060 4.281 4.340 0.002 0.000 0.217 222 Q C 0.174 176.062 176.000 -0.186 0.000 0.974 222 Q CA 0.602 56.335 55.803 -0.117 0.000 0.971 222 Q CB -0.216 28.420 28.738 -0.170 0.000 0.988 222 Q HN 0.625 nan 8.270 nan 0.000 0.536 223 H N -2.173 116.883 119.070 -0.022 0.000 2.893 223 H HA 0.146 4.703 4.556 0.002 0.000 0.270 223 H C 0.000 175.312 175.328 -0.026 0.000 1.095 223 H CA -0.435 55.599 56.048 -0.023 0.000 1.186 223 H CB 0.740 30.487 29.762 -0.026 0.000 1.562 223 H HN 0.127 nan 8.280 nan 0.000 0.536 224 C N 1.785 121.128 119.300 0.071 0.000 2.638 224 C HA 0.011 4.472 4.460 0.002 0.000 0.410 224 C C 1.170 176.173 174.990 0.021 0.000 1.404 224 C CA 0.693 59.730 59.018 0.031 0.000 1.651 224 C CB -0.591 27.161 27.740 0.020 0.000 2.495 224 C HN 0.653 nan 8.230 nan 0.000 0.606 225 E N 2.558 122.770 120.200 0.019 0.000 2.715 225 E HA 0.245 4.596 4.350 0.002 0.000 0.224 225 E C -0.748 175.880 176.600 0.046 0.000 0.962 225 E CA 0.066 56.486 56.400 0.034 0.000 1.145 225 E CB 1.056 30.788 29.700 0.053 0.000 1.083 225 E HN 0.535 nan 8.360 nan 0.000 0.506 226 V N 0.144 120.067 119.914 0.014 0.000 2.888 226 V HA 0.638 4.759 4.120 0.002 0.000 0.309 226 V C -0.228 175.853 176.094 -0.022 0.000 1.114 226 V CA -1.064 61.244 62.300 0.014 0.000 0.940 226 V CB 2.102 33.926 31.823 0.002 0.000 1.021 226 V HN 0.129 nan 8.190 nan 0.000 0.426 227 G N 2.612 111.388 108.800 -0.041 0.000 2.626 227 G HA2 0.686 4.647 3.960 0.002 0.000 0.304 227 G HA3 0.686 4.647 3.960 0.002 0.000 0.304 227 G C -1.710 173.127 174.900 -0.105 0.000 1.385 227 G CA -0.461 44.600 45.100 -0.065 0.000 0.957 227 G HN 0.658 nan 8.290 nan 0.000 0.504 228 L N 3.186 124.360 121.223 -0.083 0.000 2.365 228 L HA 0.754 5.095 4.340 0.002 0.000 0.273 228 L C -1.074 175.733 176.870 -0.105 0.000 1.000 228 L CA -0.889 53.893 54.840 -0.097 0.000 0.819 228 L CB 1.709 43.787 42.059 0.032 0.000 1.284 228 L HN 0.336 nan 8.230 nan 0.000 0.418 229 I N 6.431 126.937 120.570 -0.106 0.000 2.498 229 I HA 0.410 4.581 4.170 0.002 0.000 0.290 229 I C -0.757 175.342 176.117 -0.030 0.000 1.032 229 I CA -0.293 60.955 61.300 -0.088 0.000 1.073 229 I CB 1.942 39.883 38.000 -0.099 0.000 1.251 229 I HN 0.605 nan 8.210 nan 0.000 0.426 230 I N 5.489 126.018 120.570 -0.068 0.000 2.641 230 I HA 0.457 4.628 4.170 0.002 0.000 0.275 230 I C 0.370 176.424 176.117 -0.104 0.000 1.129 230 I CA -0.084 61.172 61.300 -0.074 0.000 1.094 230 I CB 1.534 39.450 38.000 -0.141 0.000 1.232 230 I HN 0.731 nan 8.210 nan 0.000 0.503 231 G N 2.050 110.807 108.800 -0.072 0.000 3.354 231 G HA2 0.148 4.109 3.960 0.002 0.000 0.174 231 G HA3 0.148 4.109 3.960 0.002 0.000 0.174 231 G C 0.644 175.505 174.900 -0.065 0.000 1.140 231 G CA 0.232 45.287 45.100 -0.075 0.000 0.897 231 G HN 0.218 nan 8.290 nan 0.000 0.685 232 T N 0.544 115.065 114.554 -0.056 0.000 2.737 232 T HA 0.144 4.495 4.350 0.002 0.000 0.269 232 T C 1.094 175.778 174.700 -0.026 0.000 1.040 232 T CA 1.789 63.851 62.100 -0.063 0.000 1.142 232 T CB -0.433 68.412 68.868 -0.039 0.000 0.861 232 T HN 0.804 nan 8.240 nan 0.000 0.456 233 G N -0.852 107.956 108.800 0.013 0.000 2.818 233 G HA2 0.559 4.520 3.960 0.002 0.000 0.286 233 G HA3 0.559 4.520 3.960 0.002 0.000 0.286 233 G C -1.397 173.560 174.900 0.095 0.000 1.364 233 G CA -0.426 44.730 45.100 0.094 0.000 0.938 233 G HN 0.113 nan 8.290 nan 0.000 0.490 234 T N -0.729 113.942 114.554 0.195 0.000 2.971 234 T HA 0.614 4.965 4.350 0.002 0.000 0.304 234 T C -1.135 173.816 174.700 0.419 0.000 1.038 234 T CA -0.652 61.621 62.100 0.290 0.000 1.007 234 T CB 1.590 70.684 68.868 0.377 0.000 1.055 234 T HN 0.812 nan 8.240 nan 0.000 0.451 235 N N 2.165 120.917 118.700 0.088 0.000 3.020 235 N HA 0.828 5.569 4.740 0.002 0.000 0.248 235 N C -1.962 173.051 175.510 -0.828 0.000 1.480 235 N CA -0.085 52.675 53.050 -0.484 0.000 0.874 235 N CB 1.938 40.286 38.487 -0.231 0.000 1.433 235 N HN 1.016 nan 8.380 nan 0.000 0.530 236 A N -0.245 121.932 122.820 -1.072 0.000 2.604 236 A HA 0.692 5.013 4.320 0.002 0.000 0.295 236 A C -0.984 176.362 177.584 -0.396 0.000 1.067 236 A CA -0.446 51.136 52.037 -0.759 0.000 0.683 236 A CB 0.023 18.343 19.000 -1.133 0.000 1.281 236 A HN 1.290 nan 8.150 nan 0.000 0.407 237 C N -0.191 118.995 119.300 -0.191 0.000 2.889 237 C HA 1.048 5.509 4.460 0.002 0.000 0.307 237 C C -0.849 174.189 174.990 0.081 0.000 1.251 237 C CA -0.864 58.120 59.018 -0.057 0.000 1.593 237 C CB 0.557 28.232 27.740 -0.110 0.000 2.104 237 C HN 1.740 nan 8.230 nan 0.000 0.476 238 Y N 0.068 120.315 120.300 -0.089 0.000 2.689 238 Y HA 0.802 5.353 4.550 0.002 0.000 0.333 238 Y C -0.902 174.970 175.900 -0.047 0.000 1.190 238 Y CA -2.000 56.067 58.100 -0.056 0.000 1.063 238 Y CB 1.045 39.489 38.460 -0.028 0.000 1.294 238 Y HN 0.603 nan 8.280 nan 0.000 0.466 239 M N 2.883 122.485 119.600 0.003 0.000 2.094 239 M HA 0.304 4.785 4.480 0.002 0.000 0.348 239 M C -0.703 175.550 176.300 -0.079 0.000 1.267 239 M CA -0.133 55.108 55.300 -0.098 0.000 1.125 239 M CB 0.411 33.002 32.600 -0.016 0.000 1.527 239 M HN 0.878 nan 8.290 nan 0.000 0.447 240 E N 2.460 122.501 120.200 -0.266 0.000 2.227 240 E HA 0.308 4.659 4.350 0.002 0.000 0.268 240 E C -0.732 175.825 176.600 -0.072 0.000 0.990 240 E CA -0.389 55.933 56.400 -0.130 0.000 0.856 240 E CB 1.116 30.639 29.700 -0.295 0.000 1.159 240 E HN 0.328 nan 8.360 nan 0.000 0.401 241 E N 3.021 123.206 120.200 -0.026 0.000 2.290 241 E HA 0.021 4.372 4.350 0.002 0.000 0.277 241 E C 0.683 177.181 176.600 -0.171 0.000 1.035 241 E CA -0.264 56.039 56.400 -0.162 0.000 0.873 241 E CB 0.993 30.454 29.700 -0.400 0.000 1.029 241 E HN 0.527 nan 8.360 nan 0.000 0.419 242 L N 4.609 125.750 121.223 -0.137 0.000 2.189 242 L HA -0.201 4.140 4.340 0.002 0.000 0.214 242 L C 2.169 178.981 176.870 -0.097 0.000 1.097 242 L CA 1.802 56.581 54.840 -0.103 0.000 0.764 242 L CB -0.541 41.472 42.059 -0.076 0.000 0.900 242 L HN 0.522 nan 8.230 nan 0.000 0.436 243 R N -2.237 118.165 120.500 -0.164 0.000 2.316 243 R HA -0.089 4.252 4.340 0.002 0.000 0.202 243 R C 1.234 177.509 176.300 -0.042 0.000 1.029 243 R CA 1.215 57.238 56.100 -0.128 0.000 1.018 243 R CB -0.562 29.639 30.300 -0.165 0.000 0.888 243 R HN 0.524 nan 8.270 nan 0.000 0.471 244 H N -0.054 119.006 119.070 -0.017 0.000 2.639 244 H HA 0.279 4.836 4.556 0.002 0.000 0.267 244 H C 0.229 175.543 175.328 -0.025 0.000 0.958 244 H CA -0.395 55.647 56.048 -0.011 0.000 1.221 244 H CB 0.629 30.393 29.762 0.004 0.000 1.446 244 H HN 0.052 nan 8.280 nan 0.000 0.512 245 I N 2.637 123.245 120.570 0.063 0.000 2.278 245 I HA -0.075 4.096 4.170 0.002 0.000 0.300 245 I C 0.356 176.470 176.117 -0.005 0.000 1.174 245 I CA -0.164 61.133 61.300 -0.004 0.000 1.347 245 I CB 0.627 38.585 38.000 -0.069 0.000 1.473 245 I HN 0.193 nan 8.210 nan 0.000 0.595 246 D N 4.202 124.606 120.400 0.007 0.000 2.149 246 D HA -0.141 4.500 4.640 0.002 0.000 0.198 246 D C 1.879 178.174 176.300 -0.008 0.000 0.990 246 D CA 1.514 55.514 54.000 0.001 0.000 0.839 246 D CB 0.143 40.941 40.800 -0.004 0.000 0.948 246 D HN 0.502 nan 8.370 nan 0.000 0.460 247 L N 0.205 121.420 121.223 -0.013 0.000 2.675 247 L HA 0.064 4.405 4.340 0.002 0.000 0.239 247 L C -0.061 176.812 176.870 0.006 0.000 1.151 247 L CA 0.072 54.907 54.840 -0.007 0.000 0.905 247 L CB 0.076 42.128 42.059 -0.011 0.000 1.057 247 L HN -0.200 nan 8.230 nan 0.000 0.435 248 V N -0.087 119.827 119.914 -0.001 0.000 2.462 248 V HA 0.153 4.274 4.120 0.002 0.000 0.288 248 V C 0.097 176.201 176.094 0.018 0.000 1.020 248 V CA -0.846 61.468 62.300 0.023 0.000 0.857 248 V CB 2.024 33.834 31.823 -0.022 0.000 1.013 248 V HN 0.156 nan 8.190 nan 0.000 0.431 249 E N 3.232 123.450 120.200 0.029 0.000 2.493 249 E HA 0.457 4.808 4.350 0.002 0.000 0.255 249 E C 0.562 177.171 176.600 0.015 0.000 0.999 249 E CA 0.740 57.150 56.400 0.017 0.000 0.934 249 E CB 1.011 30.719 29.700 0.015 0.000 0.940 249 E HN 0.984 nan 8.360 nan 0.000 0.473 250 G N 2.796 111.598 108.800 0.004 0.000 2.321 250 G HA2 0.055 4.016 3.960 0.002 0.000 0.339 250 G HA3 0.055 4.016 3.960 0.002 0.000 0.339 250 G C -0.839 174.052 174.900 -0.015 0.000 1.518 250 G CA -0.404 44.696 45.100 -0.001 0.000 0.994 250 G HN 0.554 nan 8.290 nan 0.000 0.668 251 D N -1.477 118.911 120.400 -0.020 0.000 2.563 251 D HA 0.125 4.766 4.640 0.002 0.000 0.256 251 D C 0.111 176.385 176.300 -0.042 0.000 1.400 251 D CA -0.022 53.956 54.000 -0.037 0.000 0.800 251 D CB 0.088 40.873 40.800 -0.026 0.000 1.145 251 D HN 0.642 nan 8.370 nan 0.000 0.501 252 E N 1.281 121.463 120.200 -0.030 0.000 2.109 252 E HA 0.520 4.871 4.350 0.002 0.000 0.278 252 E C 0.806 177.385 176.600 -0.034 0.000 0.954 252 E CA -0.567 55.817 56.400 -0.026 0.000 0.779 252 E CB 1.456 31.151 29.700 -0.009 0.000 1.093 252 E HN 0.270 nan 8.360 nan 0.000 0.401 253 G N 3.545 112.319 108.800 -0.042 0.000 2.553 253 G HA2 -0.288 3.673 3.960 0.002 0.000 0.242 253 G HA3 -0.288 3.673 3.960 0.002 0.000 0.242 253 G C -0.506 174.356 174.900 -0.063 0.000 1.277 253 G CA -0.503 44.571 45.100 -0.045 0.000 0.910 253 G HN 0.569 nan 8.290 nan 0.000 0.576 254 R N -1.115 119.349 120.500 -0.059 0.000 2.888 254 R HA 0.812 5.153 4.340 0.002 0.000 0.266 254 R C -0.045 176.203 176.300 -0.088 0.000 1.020 254 R CA -0.677 55.377 56.100 -0.076 0.000 0.963 254 R CB 2.034 32.296 30.300 -0.063 0.000 1.197 254 R HN 0.923 nan 8.270 nan 0.000 0.481 255 M N 0.493 120.017 119.600 -0.127 0.000 2.470 255 M HA 0.373 4.854 4.480 0.002 0.000 0.285 255 M C -1.549 174.622 176.300 -0.214 0.000 1.213 255 M CA -0.646 54.559 55.300 -0.159 0.000 0.901 255 M CB 2.290 34.775 32.600 -0.191 0.000 1.718 255 M HN 0.777 nan 8.290 nan 0.000 0.469 256 C N 5.689 124.864 119.300 -0.208 0.000 2.482 256 C HA 0.550 5.011 4.460 0.002 0.000 0.378 256 C C -0.244 174.568 174.990 -0.296 0.000 1.284 256 C CA -0.532 58.343 59.018 -0.238 0.000 1.826 256 C CB -0.796 26.848 27.740 -0.160 0.000 2.473 256 C HN 0.709 nan 8.230 nan 0.000 0.562 257 I N 6.295 126.621 120.570 -0.407 0.000 2.385 257 I HA 0.269 4.440 4.170 0.002 0.000 0.294 257 I C 0.181 176.155 176.117 -0.239 0.000 0.988 257 I CA 0.104 61.184 61.300 -0.367 0.000 1.265 257 I CB 1.332 39.021 38.000 -0.520 0.000 1.388 257 I HN 0.727 nan 8.210 nan 0.000 0.480 258 N N 4.025 122.630 118.700 -0.159 0.000 2.527 258 N HA 0.090 4.830 4.740 0.002 0.000 0.236 258 N C 1.043 176.516 175.510 -0.061 0.000 0.999 258 N CA -0.225 52.758 53.050 -0.112 0.000 0.935 258 N CB 0.890 39.312 38.487 -0.107 0.000 1.132 258 N HN 0.687 nan 8.380 nan 0.000 0.511 259 T N 0.149 114.694 114.554 -0.016 0.000 2.684 259 T HA -0.143 4.208 4.350 0.002 0.000 0.267 259 T C 0.096 174.837 174.700 0.067 0.000 1.036 259 T CA 0.892 63.034 62.100 0.070 0.000 1.148 259 T CB -0.398 68.586 68.868 0.194 0.000 0.863 259 T HN 0.586 nan 8.240 nan 0.000 0.436 260 E N 0.584 120.786 120.200 0.005 0.000 2.287 260 E HA -0.130 4.221 4.350 0.002 0.000 0.229 260 E C 0.089 176.840 176.600 0.252 0.000 1.194 260 E CA 0.736 57.179 56.400 0.072 0.000 0.704 260 E CB -1.769 27.972 29.700 0.068 0.000 1.216 260 E HN 0.974 nan 8.360 nan 0.000 0.381 261 W N -0.754 120.635 121.300 0.148 0.000 2.825 261 W HA 0.280 4.941 4.660 0.002 0.000 0.243 261 W C 1.501 178.118 176.519 0.162 0.000 1.293 261 W CA 0.532 57.968 57.345 0.152 0.000 1.403 261 W CB -1.128 28.289 29.460 -0.071 0.000 1.134 261 W HN 0.171 nan 8.180 nan 0.000 0.666 262 G N 0.998 110.241 108.800 0.740 0.000 2.535 262 G HA2 -0.006 3.955 3.960 0.002 0.000 0.218 262 G HA3 -0.006 3.955 3.960 0.002 0.000 0.218 262 G C 1.453 176.613 174.900 0.434 0.000 1.122 262 G CA 0.937 46.405 45.100 0.613 0.000 0.769 262 G HN 0.461 nan 8.290 nan 0.000 0.549 263 A N -0.147 122.893 122.820 0.366 0.000 2.460 263 A HA 0.515 4.836 4.320 0.002 0.000 0.258 263 A C 0.309 178.081 177.584 0.313 0.000 1.300 263 A CA -0.787 51.415 52.037 0.275 0.000 0.913 263 A CB -0.209 18.915 19.000 0.207 0.000 1.031 263 A HN 0.198 nan 8.150 nan 0.000 0.512 264 F N 1.501 121.545 119.950 0.155 0.000 2.578 264 F HA 0.414 4.942 4.527 0.002 0.000 0.381 264 F C 1.257 177.123 175.800 0.110 0.000 1.069 264 F CA 0.656 58.703 58.000 0.078 0.000 1.231 264 F CB -0.036 38.839 39.000 -0.208 0.000 1.086 264 F HN 0.438 nan 8.300 nan 0.000 0.564 265 G N 4.504 113.287 108.800 -0.029 0.000 2.143 265 G HA2 -0.315 3.646 3.960 0.002 0.000 0.248 265 G HA3 -0.315 3.646 3.960 0.002 0.000 0.248 265 G C 0.727 175.598 174.900 -0.048 0.000 0.991 265 G CA 0.383 45.361 45.100 -0.204 0.000 0.689 265 G HN 0.628 nan 8.290 nan 0.000 0.522 266 D N 0.777 121.200 120.400 0.038 0.000 2.347 266 D HA 0.058 4.699 4.640 0.002 0.000 0.215 266 D C 1.897 178.212 176.300 0.025 0.000 0.976 266 D CA 1.145 55.169 54.000 0.040 0.000 0.884 266 D CB 0.000 40.845 40.800 0.074 0.000 0.915 266 D HN 0.653 nan 8.370 nan 0.000 0.526 267 D N -1.033 119.381 120.400 0.022 0.000 2.325 267 D HA 0.124 4.765 4.640 0.002 0.000 0.225 267 D C 1.205 177.502 176.300 -0.005 0.000 1.096 267 D CA 0.211 54.220 54.000 0.015 0.000 0.844 267 D CB -0.240 40.574 40.800 0.024 0.000 0.925 267 D HN 0.104 nan 8.370 nan 0.000 0.513 268 G N 0.334 109.121 108.800 -0.022 0.000 2.160 268 G HA2 -0.297 3.664 3.960 0.002 0.000 0.244 268 G HA3 -0.297 3.664 3.960 0.002 0.000 0.244 268 G C 0.788 175.656 174.900 -0.054 0.000 1.022 268 G CA 0.311 45.388 45.100 -0.037 0.000 0.741 268 G HN 0.318 nan 8.290 nan 0.000 0.508 269 S N -0.664 114.989 115.700 -0.078 0.000 2.593 269 S HA 0.322 4.793 4.470 0.002 0.000 0.217 269 S C 1.419 175.929 174.600 -0.151 0.000 0.966 269 S CA 0.440 58.586 58.200 -0.090 0.000 0.914 269 S CB 0.154 63.317 63.200 -0.061 0.000 0.776 269 S HN 0.504 nan 8.310 nan 0.000 0.523 270 L N 0.454 121.574 121.223 -0.172 0.000 3.358 270 L HA 0.323 4.664 4.340 0.002 0.000 0.301 270 L C 1.229 178.034 176.870 -0.109 0.000 1.276 270 L CA 0.010 54.744 54.840 -0.176 0.000 1.028 270 L CB 0.368 42.266 42.059 -0.268 0.000 1.421 270 L HN 0.020 nan 8.230 nan 0.000 0.604 271 E N 1.306 121.457 120.200 -0.081 0.000 2.153 271 E HA -0.190 4.161 4.350 0.002 0.000 0.194 271 E C 1.342 177.911 176.600 -0.052 0.000 0.988 271 E CA 1.276 57.640 56.400 -0.060 0.000 0.811 271 E CB 0.069 29.741 29.700 -0.045 0.000 0.746 271 E HN 0.570 nan 8.360 nan 0.000 0.466 272 D N -0.624 119.746 120.400 -0.049 0.000 2.338 272 D HA -0.077 4.564 4.640 0.002 0.000 0.239 272 D C 1.389 177.661 176.300 -0.046 0.000 1.095 272 D CA 0.211 54.188 54.000 -0.039 0.000 0.888 272 D CB -0.018 40.764 40.800 -0.029 0.000 0.899 272 D HN 0.270 nan 8.370 nan 0.000 0.525 273 I N -1.141 119.394 120.570 -0.060 0.000 4.730 273 I HA 0.110 4.281 4.170 0.002 0.000 0.332 273 I C 0.630 176.705 176.117 -0.071 0.000 1.299 273 I CA -0.476 60.783 61.300 -0.068 0.000 1.294 273 I CB 0.776 38.733 38.000 -0.072 0.000 1.317 273 I HN -0.267 nan 8.210 nan 0.000 0.457 274 R N 1.486 121.946 120.500 -0.066 0.000 2.441 274 R HA 0.287 4.628 4.340 0.002 0.000 0.284 274 R C 0.316 176.591 176.300 -0.040 0.000 1.070 274 R CA 0.110 56.174 56.100 -0.059 0.000 1.047 274 R CB 1.132 31.394 30.300 -0.063 0.000 1.016 274 R HN 0.087 nan 8.270 nan 0.000 0.477 275 T N -1.663 112.880 114.554 -0.018 0.000 2.936 275 T HA 0.116 4.467 4.350 0.002 0.000 0.282 275 T C 1.163 175.846 174.700 -0.028 0.000 1.003 275 T CA -0.797 61.306 62.100 0.005 0.000 1.005 275 T CB 1.394 70.324 68.868 0.102 0.000 1.097 275 T HN 0.727 nan 8.240 nan 0.000 0.532 276 E N 0.374 120.506 120.200 -0.113 0.000 2.209 276 E HA -0.133 4.218 4.350 0.002 0.000 0.196 276 E C 1.210 177.665 176.600 -0.242 0.000 0.993 276 E CA 1.267 57.538 56.400 -0.214 0.000 0.819 276 E CB -0.652 28.848 29.700 -0.334 0.000 0.745 276 E HN 0.654 nan 8.360 nan 0.000 0.477 277 F N 1.978 121.892 119.950 -0.060 0.000 2.259 277 F HA -0.068 4.460 4.527 0.002 0.000 0.298 277 F C 1.903 177.672 175.800 -0.052 0.000 1.088 277 F CA 1.177 59.145 58.000 -0.054 0.000 1.358 277 F CB -0.100 38.857 39.000 -0.072 0.000 1.040 277 F HN -0.030 nan 8.300 nan 0.000 0.505 278 D N 0.081 120.541 120.400 0.101 0.000 2.091 278 D HA -0.086 4.555 4.640 0.002 0.000 0.199 278 D C 2.342 178.633 176.300 -0.016 0.000 0.980 278 D CA 0.942 54.952 54.000 0.017 0.000 0.831 278 D CB -0.383 40.404 40.800 -0.022 0.000 0.987 278 D HN 0.248 nan 8.370 nan 0.000 0.460 279 R N 0.862 121.344 120.500 -0.031 0.000 2.083 279 R HA -0.167 4.174 4.340 0.002 0.000 0.237 279 R C 2.249 178.531 176.300 -0.030 0.000 1.137 279 R CA 1.296 57.372 56.100 -0.040 0.000 0.951 279 R CB -0.454 29.815 30.300 -0.052 0.000 0.851 279 R HN 0.269 nan 8.270 nan 0.000 0.434 280 E N 1.038 121.219 120.200 -0.031 0.000 2.110 280 E HA -0.159 4.192 4.350 0.002 0.000 0.193 280 E C 1.957 178.566 176.600 0.016 0.000 0.988 280 E CA 0.843 57.234 56.400 -0.016 0.000 0.804 280 E CB -0.014 29.669 29.700 -0.027 0.000 0.745 280 E HN 0.180 nan 8.360 nan 0.000 0.458 281 I N 1.291 121.879 120.570 0.030 0.000 2.315 281 I HA -0.207 3.964 4.170 0.002 0.000 0.248 281 I C 1.869 177.996 176.117 0.016 0.000 1.117 281 I CA 1.593 62.920 61.300 0.045 0.000 1.404 281 I CB -0.679 37.347 38.000 0.044 0.000 1.071 281 I HN 0.285 nan 8.210 nan 0.000 0.419 282 D N 0.789 121.178 120.400 -0.019 0.000 2.103 282 D HA -0.167 4.474 4.640 0.002 0.000 0.199 282 D C 2.219 178.518 176.300 -0.002 0.000 0.978 282 D CA 1.189 55.171 54.000 -0.030 0.000 0.829 282 D CB -0.061 40.713 40.800 -0.044 0.000 0.981 282 D HN 0.139 nan 8.370 nan 0.000 0.464 283 R N -0.770 119.729 120.500 -0.003 0.000 2.303 283 R HA -0.017 4.324 4.340 0.002 0.000 0.225 283 R C 1.567 177.874 176.300 0.011 0.000 1.114 283 R CA 1.050 57.151 56.100 0.001 0.000 1.007 283 R CB -0.101 30.196 30.300 -0.005 0.000 0.861 283 R HN 0.195 nan 8.270 nan 0.000 0.471 284 G N -0.131 108.682 108.800 0.023 0.000 3.377 284 G HA2 -0.012 3.949 3.960 0.002 0.000 0.257 284 G HA3 -0.012 3.949 3.960 0.002 0.000 0.257 284 G C 0.175 175.104 174.900 0.048 0.000 1.038 284 G CA -0.173 44.946 45.100 0.031 0.000 0.809 284 G HN 0.242 nan 8.290 nan 0.000 0.526 285 S N -0.340 115.393 115.700 0.055 0.000 2.655 285 S HA 0.380 4.851 4.470 0.002 0.000 0.265 285 S C 1.203 175.840 174.600 0.062 0.000 1.240 285 S CA -0.554 57.700 58.200 0.090 0.000 0.986 285 S CB 1.275 64.529 63.200 0.091 0.000 0.985 285 S HN -0.112 nan 8.310 nan 0.000 0.562 286 L N 0.909 122.181 121.223 0.082 0.000 2.156 286 L HA 0.191 4.532 4.340 0.002 0.000 0.208 286 L C 0.459 177.365 176.870 0.060 0.000 1.095 286 L CA 1.439 56.304 54.840 0.040 0.000 0.770 286 L CB -1.287 40.799 42.059 0.046 0.000 0.914 286 L HN 0.951 nan 8.230 nan 0.000 0.439 287 N N -1.073 117.681 118.700 0.091 0.000 2.844 287 N HA 0.278 5.019 4.740 0.002 0.000 0.268 287 N C -2.901 172.647 175.510 0.063 0.000 1.574 287 N CA -2.046 51.058 53.050 0.090 0.000 0.838 287 N CB 0.267 38.833 38.487 0.131 0.000 1.177 287 N HN -0.023 nan 8.380 nan 0.000 0.495 288 P HA 0.151 nan 4.420 nan 0.000 0.262 288 P C 1.151 178.467 177.300 0.026 0.000 1.182 288 P CA 1.071 64.186 63.100 0.025 0.000 0.761 288 P CB 0.507 32.218 31.700 0.019 0.000 0.795 289 G N 1.879 110.687 108.800 0.014 0.000 2.225 289 G HA2 -0.238 3.723 3.960 0.002 0.000 0.254 289 G HA3 -0.238 3.723 3.960 0.002 0.000 0.254 289 G C 0.041 174.958 174.900 0.028 0.000 0.988 289 G CA 0.009 45.119 45.100 0.016 0.000 0.625 289 G HN 0.559 nan 8.290 nan 0.000 0.527 290 K N -0.303 120.121 120.400 0.041 0.000 2.295 290 K HA 0.634 4.955 4.320 0.002 0.000 0.239 290 K C 0.386 177.026 176.600 0.067 0.000 0.991 290 K CA -0.815 55.511 56.287 0.065 0.000 0.845 290 K CB 1.035 33.588 32.500 0.087 0.000 1.197 290 K HN 0.042 nan 8.250 nan 0.000 0.441 291 Q N 0.898 120.761 119.800 0.105 0.000 2.475 291 Q HA -0.222 4.119 4.340 0.002 0.000 0.280 291 Q C 0.748 176.790 176.000 0.070 0.000 1.234 291 Q CA 0.465 56.347 55.803 0.133 0.000 0.873 291 Q CB -2.134 26.693 28.738 0.148 0.000 1.256 291 Q HN 0.727 nan 8.270 nan 0.000 0.475 292 L N -1.301 119.956 121.223 0.057 0.000 1.989 292 L HA -0.183 4.158 4.340 0.002 0.000 0.211 292 L C 2.121 178.999 176.870 0.015 0.000 1.071 292 L CA 2.062 56.899 54.840 -0.005 0.000 0.749 292 L CB -0.559 41.494 42.059 -0.011 0.000 0.890 292 L HN 0.335 nan 8.230 nan 0.000 0.431 293 F N 1.348 121.268 119.950 -0.050 0.000 2.095 293 F HA -0.295 4.233 4.527 0.002 0.000 0.298 293 F C 2.633 178.410 175.800 -0.038 0.000 1.104 293 F CA 2.150 60.116 58.000 -0.056 0.000 1.232 293 F CB -0.198 38.829 39.000 0.044 0.000 0.987 293 F HN 0.158 nan 8.300 nan 0.000 0.475 294 E N 0.238 120.540 120.200 0.170 0.000 2.204 294 E HA -0.240 4.111 4.350 0.002 0.000 0.194 294 E C 1.888 178.453 176.600 -0.057 0.000 0.989 294 E CA 1.133 57.593 56.400 0.101 0.000 0.824 294 E CB -0.195 29.663 29.700 0.263 0.000 0.756 294 E HN 0.416 nan 8.360 nan 0.000 0.477 295 K N -0.368 119.900 120.400 -0.220 0.000 2.504 295 K HA 0.046 4.367 4.320 0.002 0.000 0.195 295 K C 1.379 177.811 176.600 -0.280 0.000 1.036 295 K CA 0.762 56.740 56.287 -0.515 0.000 0.984 295 K CB 0.206 32.373 32.500 -0.556 0.000 0.788 295 K HN 0.290 nan 8.250 nan 0.000 0.488 296 M N -0.914 118.544 119.600 -0.236 0.000 2.333 296 M HA 0.077 4.558 4.480 0.002 0.000 0.257 296 M C 0.801 176.982 176.300 -0.199 0.000 1.078 296 M CA 0.130 55.307 55.300 -0.206 0.000 1.005 296 M CB 0.926 33.370 32.600 -0.259 0.000 1.444 296 M HN -0.129 nan 8.290 nan 0.000 0.496 297 V N -1.157 118.648 119.914 -0.180 0.000 3.444 297 V HA 0.098 4.219 4.120 0.002 0.000 0.210 297 V C 1.059 177.144 176.094 -0.016 0.000 1.217 297 V CA 0.493 62.712 62.300 -0.134 0.000 1.302 297 V CB 0.221 31.886 31.823 -0.264 0.000 1.341 297 V HN 0.502 nan 8.190 nan 0.000 0.522 298 S N 1.659 117.390 115.700 0.052 0.000 2.558 298 S HA 0.023 4.494 4.470 0.002 0.000 0.297 298 S C 1.395 176.004 174.600 0.015 0.000 1.283 298 S CA 0.440 58.676 58.200 0.058 0.000 1.044 298 S CB 0.717 64.009 63.200 0.153 0.000 0.789 298 S HN 0.785 nan 8.310 nan 0.000 0.500 299 G N 2.588 111.340 108.800 -0.079 0.000 2.535 299 G HA2 -0.162 3.799 3.960 0.002 0.000 0.218 299 G HA3 -0.162 3.799 3.960 0.002 0.000 0.218 299 G C 1.159 175.986 174.900 -0.123 0.000 1.122 299 G CA 0.698 45.737 45.100 -0.102 0.000 0.769 299 G HN 0.812 nan 8.290 nan 0.000 0.549 300 M N -0.744 118.726 119.600 -0.216 0.000 2.394 300 M HA 0.056 4.537 4.480 0.002 0.000 0.264 300 M C 1.248 177.211 176.300 -0.560 0.000 1.073 300 M CA 1.162 56.196 55.300 -0.443 0.000 1.111 300 M CB 0.131 32.325 32.600 -0.677 0.000 1.401 300 M HN 0.414 nan 8.290 nan 0.000 0.448 301 Y N -1.812 118.491 120.300 0.005 0.000 2.430 301 Y HA 0.179 4.730 4.550 0.002 0.000 0.254 301 Y C 1.725 177.632 175.900 0.011 0.000 1.088 301 Y CA -0.293 57.815 58.100 0.013 0.000 1.267 301 Y CB -0.200 38.265 38.460 0.007 0.000 1.204 301 Y HN 0.003 nan 8.280 nan 0.000 0.515 302 L N 0.002 121.294 121.223 0.114 0.000 1.990 302 L HA -0.239 4.102 4.340 0.002 0.000 0.213 302 L C 2.526 179.458 176.870 0.104 0.000 1.072 302 L CA 1.987 56.873 54.840 0.076 0.000 0.755 302 L CB -1.002 41.071 42.059 0.022 0.000 0.889 302 L HN 0.470 nan 8.230 nan 0.000 0.432 303 G N -0.344 108.521 108.800 0.107 0.000 2.545 303 G HA2 -0.382 3.579 3.960 0.002 0.000 0.217 303 G HA3 -0.382 3.579 3.960 0.002 0.000 0.217 303 G C 1.361 176.409 174.900 0.247 0.000 1.218 303 G CA 1.105 46.326 45.100 0.201 0.000 0.787 303 G HN 0.403 nan 8.290 nan 0.000 0.571 304 E N -0.158 120.146 120.200 0.173 0.000 2.171 304 E HA -0.139 4.212 4.350 0.002 0.000 0.197 304 E C 2.273 178.944 176.600 0.119 0.000 0.997 304 E CA 0.794 57.285 56.400 0.151 0.000 0.810 304 E CB -0.380 29.402 29.700 0.138 0.000 0.738 304 E HN 0.284 nan 8.360 nan 0.000 0.467 305 L N -0.483 120.807 121.223 0.111 0.000 2.131 305 L HA -0.083 4.258 4.340 0.002 0.000 0.210 305 L C 2.020 178.874 176.870 -0.027 0.000 1.092 305 L CA 1.273 56.150 54.840 0.061 0.000 0.759 305 L CB -0.347 41.740 42.059 0.046 0.000 0.903 305 L HN 0.131 nan 8.230 nan 0.000 0.435 306 V N -0.298 119.613 119.914 -0.005 0.000 2.302 306 V HA -0.174 3.947 4.120 0.002 0.000 0.243 306 V C 2.657 178.638 176.094 -0.188 0.000 1.036 306 V CA 1.628 63.868 62.300 -0.100 0.000 1.020 306 V CB -0.648 31.183 31.823 0.014 0.000 0.657 306 V HN 0.511 nan 8.190 nan 0.000 0.453 307 R N 0.165 120.571 120.500 -0.156 0.000 2.170 307 R HA -0.156 4.185 4.340 0.002 0.000 0.242 307 R C 2.086 178.355 176.300 -0.051 0.000 1.145 307 R CA 1.563 57.544 56.100 -0.198 0.000 0.984 307 R CB -0.329 29.960 30.300 -0.017 0.000 0.869 307 R HN 0.460 nan 8.270 nan 0.000 0.455 308 L N 0.171 121.407 121.223 0.021 0.000 2.217 308 L HA -0.078 4.263 4.340 0.002 0.000 0.211 308 L C 2.029 179.037 176.870 0.230 0.000 1.107 308 L CA 0.846 55.774 54.840 0.147 0.000 0.783 308 L CB -0.055 42.148 42.059 0.240 0.000 0.919 308 L HN 0.280 nan 8.230 nan 0.000 0.442 309 I N -1.181 119.361 120.570 -0.047 0.000 2.585 309 I HA -0.186 3.985 4.170 0.002 0.000 0.254 309 I C 2.259 178.392 176.117 0.026 0.000 1.129 309 I CA 0.425 61.621 61.300 -0.174 0.000 1.455 309 I CB -0.052 37.542 38.000 -0.677 0.000 1.111 309 I HN 0.105 nan 8.210 nan 0.000 0.433 310 L N 0.369 121.579 121.223 -0.022 0.000 2.013 310 L HA -0.224 4.117 4.340 0.002 0.000 0.212 310 L C 2.687 179.674 176.870 0.195 0.000 1.073 310 L CA 1.433 56.325 54.840 0.086 0.000 0.753 310 L CB -0.781 41.293 42.059 0.025 0.000 0.890 310 L HN 0.134 nan 8.230 nan 0.000 0.432 311 V N 0.140 120.138 119.914 0.141 0.000 2.295 311 V HA -0.289 3.832 4.120 0.002 0.000 0.246 311 V C 2.512 178.712 176.094 0.176 0.000 1.049 311 V CA 2.074 64.463 62.300 0.148 0.000 1.024 311 V CB -0.582 31.303 31.823 0.104 0.000 0.648 311 V HN 0.396 nan 8.190 nan 0.000 0.447 312 K N -0.257 120.284 120.400 0.234 0.000 2.209 312 K HA -0.105 4.216 4.320 0.002 0.000 0.204 312 K C 1.965 178.729 176.600 0.274 0.000 1.048 312 K CA 1.650 58.107 56.287 0.284 0.000 0.940 312 K CB -0.247 32.545 32.500 0.487 0.000 0.729 312 K HN 0.421 nan 8.250 nan 0.000 0.451 313 M N -0.913 118.833 119.600 0.243 0.000 2.191 313 M HA 0.055 4.536 4.480 0.002 0.000 0.262 313 M C 2.162 178.495 176.300 0.055 0.000 1.083 313 M CA 1.273 56.661 55.300 0.147 0.000 1.154 313 M CB -0.163 32.496 32.600 0.099 0.000 1.344 313 M HN 0.244 nan 8.290 nan 0.000 0.431 314 A N 0.472 123.357 122.820 0.108 0.000 1.940 314 A HA -0.182 4.139 4.320 0.002 0.000 0.219 314 A C 1.946 179.588 177.584 0.096 0.000 1.176 314 A CA 1.623 53.744 52.037 0.139 0.000 0.631 314 A CB -0.652 18.564 19.000 0.360 0.000 0.814 314 A HN 0.416 nan 8.150 nan 0.000 0.446 315 K N -0.290 120.167 120.400 0.096 0.000 2.574 315 K HA -0.055 4.265 4.320 0.002 0.000 0.193 315 K C 0.193 176.813 176.600 0.034 0.000 1.035 315 K CA 0.979 57.305 56.287 0.066 0.000 0.982 315 K CB -0.034 32.510 32.500 0.074 0.000 0.795 315 K HN 0.639 nan 8.250 nan 0.000 0.491 316 E N -0.895 119.312 120.200 0.013 0.000 2.810 316 E HA 0.095 4.446 4.350 0.002 0.000 0.214 316 E C 0.469 177.040 176.600 -0.048 0.000 0.980 316 E CA 0.046 56.427 56.400 -0.031 0.000 1.159 316 E CB 1.231 30.885 29.700 -0.077 0.000 1.047 316 E HN 0.321 nan 8.360 nan 0.000 0.484 317 G N 1.641 110.427 108.800 -0.024 0.000 2.196 317 G HA2 -0.350 3.611 3.960 0.002 0.000 0.268 317 G HA3 -0.350 3.611 3.960 0.002 0.000 0.268 317 G C 0.973 175.830 174.900 -0.072 0.000 0.975 317 G CA 0.664 45.744 45.100 -0.033 0.000 0.648 317 G HN 0.334 nan 8.290 nan 0.000 0.538 318 L N -0.906 120.256 121.223 -0.102 0.000 2.465 318 L HA 0.407 4.748 4.340 0.002 0.000 0.224 318 L C 1.333 178.077 176.870 -0.209 0.000 1.145 318 L CA 0.714 55.470 54.840 -0.140 0.000 0.834 318 L CB -0.001 41.965 42.059 -0.155 0.000 0.944 318 L HN 0.332 nan 8.230 nan 0.000 0.451 319 L N -2.445 118.604 121.223 -0.289 0.000 2.409 319 L HA 0.305 4.646 4.340 0.002 0.000 0.255 319 L C -0.400 176.152 176.870 -0.530 0.000 1.027 319 L CA -1.162 53.281 54.840 -0.661 0.000 0.834 319 L CB 1.856 43.176 42.059 -1.231 0.000 1.426 319 L HN -0.139 nan 8.230 nan 0.000 0.411 320 F N -0.083 119.870 119.950 0.005 0.000 3.054 320 F HA -0.281 4.247 4.527 0.002 0.000 0.264 320 F C 1.086 176.889 175.800 0.004 0.000 0.956 320 F CA 1.083 59.087 58.000 0.006 0.000 0.882 320 F CB -2.335 36.668 39.000 0.006 0.000 0.841 320 F HN 0.753 nan 8.300 nan 0.000 0.720 321 E N -0.721 119.510 120.200 0.052 0.000 2.791 321 E HA -0.151 4.200 4.350 0.002 0.000 0.271 321 E C 1.440 178.072 176.600 0.054 0.000 1.044 321 E CA 1.355 57.779 56.400 0.040 0.000 0.814 321 E CB -1.268 28.465 29.700 0.055 0.000 1.400 321 E HN 1.584 nan 8.360 nan 0.000 0.423 322 G N -0.692 108.146 108.800 0.064 0.000 2.184 322 G HA2 -0.416 3.545 3.960 0.002 0.000 0.264 322 G HA3 -0.416 3.545 3.960 0.002 0.000 0.264 322 G C 0.302 175.268 174.900 0.110 0.000 0.975 322 G CA 0.497 45.641 45.100 0.073 0.000 0.642 322 G HN 0.366 nan 8.290 nan 0.000 0.536 323 R N -0.203 120.388 120.500 0.151 0.000 2.594 323 R HA 0.607 4.948 4.340 0.002 0.000 0.272 323 R C 0.347 176.719 176.300 0.120 0.000 1.074 323 R CA 0.251 56.421 56.100 0.117 0.000 1.105 323 R CB 0.541 30.905 30.300 0.106 0.000 1.008 323 R HN 0.349 nan 8.270 nan 0.000 0.472 324 I N 1.674 122.275 120.570 0.052 0.000 2.560 324 I HA 0.117 4.288 4.170 0.002 0.000 0.278 324 I C 0.274 176.383 176.117 -0.013 0.000 1.089 324 I CA -0.761 60.552 61.300 0.021 0.000 1.086 324 I CB 1.665 39.693 38.000 0.047 0.000 1.202 324 I HN 0.674 nan 8.210 nan 0.000 0.471 325 T N 1.696 116.217 114.554 -0.055 0.000 2.868 325 T HA 0.298 4.649 4.350 0.002 0.000 0.292 325 T C -1.779 172.901 174.700 -0.033 0.000 1.028 325 T CA -1.341 60.731 62.100 -0.046 0.000 1.059 325 T CB 1.235 70.063 68.868 -0.067 0.000 0.991 325 T HN 0.238 nan 8.240 nan 0.000 0.531 326 P HA 0.022 nan 4.420 nan 0.000 0.222 326 P C 1.011 178.303 177.300 -0.013 0.000 1.147 326 P CA 0.792 63.885 63.100 -0.011 0.000 0.790 326 P CB 0.097 31.793 31.700 -0.007 0.000 0.780 327 E N -0.591 119.595 120.200 -0.023 0.000 2.076 327 E HA -0.068 4.283 4.350 0.002 0.000 0.190 327 E C 1.707 178.294 176.600 -0.021 0.000 0.979 327 E CA 0.512 56.901 56.400 -0.018 0.000 0.807 327 E CB -0.995 28.691 29.700 -0.023 0.000 0.761 327 E HN 0.104 nan 8.360 nan 0.000 0.454 328 L N 0.279 121.468 121.223 -0.057 0.000 2.549 328 L HA -0.059 4.282 4.340 0.002 0.000 0.230 328 L C 1.181 178.036 176.870 -0.025 0.000 1.162 328 L CA 1.184 55.979 54.840 -0.075 0.000 0.834 328 L CB 0.141 42.102 42.059 -0.164 0.000 0.947 328 L HN 0.120 nan 8.230 nan 0.000 0.452 329 L N -2.099 119.119 121.223 -0.008 0.000 2.575 329 L HA 0.170 4.511 4.340 0.002 0.000 0.228 329 L C 0.850 177.731 176.870 0.018 0.000 1.075 329 L CA -0.145 54.701 54.840 0.010 0.000 0.867 329 L CB -0.234 41.831 42.059 0.010 0.000 1.097 329 L HN -0.054 nan 8.230 nan 0.000 0.485 330 T N 1.753 116.316 114.554 0.015 0.000 2.916 330 T HA 0.060 4.411 4.350 0.002 0.000 0.303 330 T C 0.411 175.131 174.700 0.033 0.000 1.025 330 T CA -0.143 61.969 62.100 0.020 0.000 1.142 330 T CB 0.627 69.505 68.868 0.015 0.000 0.947 330 T HN 0.174 nan 8.240 nan 0.000 0.544 331 R N 2.049 122.568 120.500 0.033 0.000 2.570 331 R HA 0.312 4.653 4.340 0.002 0.000 0.277 331 R C 1.098 177.425 176.300 0.046 0.000 1.039 331 R CA 0.765 56.891 56.100 0.043 0.000 1.065 331 R CB -0.238 30.083 30.300 0.036 0.000 0.964 331 R HN 0.899 nan 8.270 nan 0.000 0.428 332 G N 3.403 112.241 108.800 0.063 0.000 2.249 332 G HA2 -0.273 3.688 3.960 0.002 0.000 0.273 332 G HA3 -0.273 3.688 3.960 0.002 0.000 0.273 332 G C 0.480 175.416 174.900 0.060 0.000 1.036 332 G CA 0.437 45.573 45.100 0.060 0.000 0.824 332 G HN 0.679 nan 8.290 nan 0.000 0.504 333 K N -1.179 119.274 120.400 0.088 0.000 2.367 333 K HA 0.204 4.525 4.320 0.002 0.000 0.194 333 K C 0.138 176.823 176.600 0.141 0.000 1.027 333 K CA -0.109 56.227 56.287 0.082 0.000 1.075 333 K CB 0.362 32.904 32.500 0.069 0.000 0.845 333 K HN 0.413 nan 8.250 nan 0.000 0.529 334 F N 2.533 122.480 119.950 -0.006 0.000 2.453 334 F HA 0.281 4.809 4.527 0.002 0.000 0.358 334 F C -0.349 175.450 175.800 -0.001 0.000 1.129 334 F CA -1.287 56.711 58.000 -0.003 0.000 1.200 334 F CB 0.049 39.053 39.000 0.006 0.000 1.431 334 F HN -0.187 nan 8.300 nan 0.000 0.503 335 N N 1.334 119.926 118.700 -0.180 0.000 2.307 335 N HA 0.009 4.750 4.740 0.002 0.000 0.230 335 N C 1.344 176.740 175.510 -0.190 0.000 1.297 335 N CA 0.427 53.391 53.050 -0.145 0.000 0.884 335 N CB 0.621 39.025 38.487 -0.138 0.000 1.115 335 N HN 0.408 nan 8.380 nan 0.000 0.436 336 T N -0.655 113.843 114.554 -0.093 0.000 2.995 336 T HA -0.065 4.286 4.350 0.002 0.000 0.269 336 T C 1.619 176.271 174.700 -0.080 0.000 1.091 336 T CA 0.939 63.003 62.100 -0.060 0.000 1.128 336 T CB -0.141 68.700 68.868 -0.044 0.000 0.891 336 T HN 0.429 nan 8.240 nan 0.000 0.492 337 S N 2.174 117.807 115.700 -0.111 0.000 2.368 337 S HA -0.146 4.324 4.470 0.002 0.000 0.225 337 S C 1.707 176.221 174.600 -0.143 0.000 1.030 337 S CA 1.127 59.268 58.200 -0.099 0.000 0.999 337 S CB -0.401 62.739 63.200 -0.101 0.000 0.844 337 S HN 0.497 nan 8.310 nan 0.000 0.459 338 D N 1.792 122.026 120.400 -0.276 0.000 2.078 338 D HA -0.071 4.570 4.640 0.002 0.000 0.193 338 D C 2.122 178.282 176.300 -0.233 0.000 0.990 338 D CA 0.970 54.739 54.000 -0.385 0.000 0.827 338 D CB -0.958 39.291 40.800 -0.918 0.000 0.975 338 D HN 0.224 nan 8.370 nan 0.000 0.451 339 V N 0.758 120.560 119.914 -0.186 0.000 2.527 339 V HA -0.265 3.856 4.120 0.002 0.000 0.255 339 V C 2.446 178.604 176.094 0.106 0.000 1.081 339 V CA 1.836 64.176 62.300 0.065 0.000 1.092 339 V CB -0.504 31.398 31.823 0.131 0.000 0.673 339 V HN 0.132 nan 8.190 nan 0.000 0.470 340 S N -0.649 115.089 115.700 0.063 0.000 2.341 340 S HA 0.062 4.533 4.470 0.002 0.000 0.216 340 S C 2.248 176.806 174.600 -0.070 0.000 1.034 340 S CA 1.006 59.233 58.200 0.046 0.000 0.964 340 S CB -0.323 62.928 63.200 0.085 0.000 0.882 340 S HN 0.625 nan 8.310 nan 0.000 0.469 341 A N 1.570 124.352 122.820 -0.064 0.000 1.917 341 A HA -0.082 4.239 4.320 0.002 0.000 0.219 341 A C 1.951 179.506 177.584 -0.049 0.000 1.182 341 A CA 1.296 53.293 52.037 -0.068 0.000 0.633 341 A CB -0.824 18.130 19.000 -0.077 0.000 0.819 341 A HN 0.519 nan 8.150 nan 0.000 0.448 342 I N -0.753 119.801 120.570 -0.027 0.000 2.756 342 I HA -0.165 4.006 4.170 0.002 0.000 0.262 342 I C 1.791 177.922 176.117 0.023 0.000 1.225 342 I CA 1.154 62.466 61.300 0.019 0.000 1.472 342 I CB -0.184 37.864 38.000 0.081 0.000 1.094 342 I HN 0.443 nan 8.210 nan 0.000 0.454 343 E N 0.277 120.466 120.200 -0.018 0.000 2.498 343 E HA 0.083 4.434 4.350 0.002 0.000 0.203 343 E C 0.318 176.865 176.600 -0.089 0.000 1.013 343 E CA -0.170 56.206 56.400 -0.041 0.000 0.927 343 E CB 0.516 30.175 29.700 -0.068 0.000 1.012 343 E HN 0.320 nan 8.360 nan 0.000 0.482 344 K N 0.823 121.175 120.400 -0.079 0.000 2.380 344 K HA 0.017 4.338 4.320 0.002 0.000 0.267 344 K C 0.659 177.238 176.600 -0.035 0.000 0.990 344 K CA -0.051 56.193 56.287 -0.072 0.000 0.946 344 K CB 0.524 32.995 32.500 -0.048 0.000 0.937 344 K HN -0.033 nan 8.250 nan 0.000 0.491 345 N N 1.859 120.540 118.700 -0.032 0.000 2.109 345 N HA -0.106 4.635 4.740 0.002 0.000 0.188 345 N C 0.901 176.413 175.510 0.003 0.000 1.034 345 N CA 1.381 54.424 53.050 -0.011 0.000 0.846 345 N CB 0.095 38.573 38.487 -0.014 0.000 1.010 345 N HN 0.367 nan 8.380 nan 0.000 0.425 346 K N 0.871 121.272 120.400 0.003 0.000 1.992 346 K HA -0.102 4.219 4.320 0.002 0.000 0.225 346 K C 0.411 177.032 176.600 0.034 0.000 1.020 346 K CA 1.410 57.706 56.287 0.015 0.000 1.042 346 K CB -0.333 32.174 32.500 0.013 0.000 0.772 346 K HN 0.216 nan 8.250 nan 0.000 0.444 347 E N 1.295 121.526 120.200 0.052 0.000 2.594 347 E HA 0.104 4.455 4.350 0.002 0.000 0.300 347 E C 0.858 177.502 176.600 0.074 0.000 1.568 347 E CA 0.024 56.486 56.400 0.105 0.000 1.811 347 E CB -0.017 29.785 29.700 0.169 0.000 1.458 347 E HN 0.480 nan 8.360 nan 0.000 0.470 348 G N 1.170 110.001 108.800 0.053 0.000 2.637 348 G HA2 -0.262 3.699 3.960 0.002 0.000 0.215 348 G HA3 -0.262 3.699 3.960 0.002 0.000 0.215 348 G C 1.259 176.192 174.900 0.055 0.000 1.289 348 G CA 0.373 45.496 45.100 0.038 0.000 0.816 348 G HN 0.367 nan 8.290 nan 0.000 0.580 349 L N 0.007 121.273 121.223 0.073 0.000 2.131 349 L HA -0.088 4.253 4.340 0.002 0.000 0.210 349 L C 2.659 179.593 176.870 0.107 0.000 1.092 349 L CA 1.481 56.371 54.840 0.083 0.000 0.759 349 L CB -0.662 41.444 42.059 0.078 0.000 0.903 349 L HN 0.382 nan 8.230 nan 0.000 0.435 350 H N 0.553 119.638 119.070 0.025 0.000 2.352 350 H HA -0.160 4.397 4.556 0.002 0.000 0.299 350 H C 2.115 177.457 175.328 0.023 0.000 1.097 350 H CA 1.858 57.919 56.048 0.021 0.000 1.311 350 H CB -0.061 29.709 29.762 0.013 0.000 1.377 350 H HN 0.212 nan 8.280 nan 0.000 0.504 351 N N 0.312 118.917 118.700 -0.157 0.000 2.106 351 N HA -0.080 4.661 4.740 0.002 0.000 0.188 351 N C 2.086 177.535 175.510 -0.101 0.000 1.029 351 N CA 1.498 54.423 53.050 -0.209 0.000 0.848 351 N CB -0.855 37.569 38.487 -0.104 0.000 1.007 351 N HN 0.521 nan 8.380 nan 0.000 0.423 352 A N 1.093 123.908 122.820 -0.009 0.000 1.958 352 A HA -0.262 4.059 4.320 0.002 0.000 0.221 352 A C 2.194 179.812 177.584 0.058 0.000 1.178 352 A CA 2.109 54.181 52.037 0.058 0.000 0.642 352 A CB -0.571 18.488 19.000 0.097 0.000 0.816 352 A HN 0.365 nan 8.150 nan 0.000 0.453 353 K N -0.014 120.406 120.400 0.033 0.000 1.985 353 K HA -0.181 4.140 4.320 0.002 0.000 0.210 353 K C 1.927 178.533 176.600 0.011 0.000 1.047 353 K CA 1.912 58.226 56.287 0.046 0.000 0.932 353 K CB -0.325 32.220 32.500 0.075 0.000 0.716 353 K HN 0.587 nan 8.250 nan 0.000 0.439 354 E N 0.100 120.263 120.200 -0.061 0.000 2.130 354 E HA -0.220 4.131 4.350 0.002 0.000 0.196 354 E C 2.107 178.686 176.600 -0.034 0.000 0.998 354 E CA 1.582 57.943 56.400 -0.065 0.000 0.806 354 E CB -0.220 29.393 29.700 -0.145 0.000 0.738 354 E HN 0.396 nan 8.360 nan 0.000 0.459 355 I N 0.771 121.326 120.570 -0.024 0.000 2.162 355 I HA -0.263 3.908 4.170 0.002 0.000 0.238 355 I C 2.338 178.486 176.117 0.053 0.000 1.076 355 I CA 0.954 62.257 61.300 0.004 0.000 1.353 355 I CB -0.181 37.822 38.000 0.006 0.000 1.063 355 I HN 0.040 nan 8.210 nan 0.000 0.408 356 L N 0.022 121.298 121.223 0.088 0.000 2.261 356 L HA -0.203 4.138 4.340 0.002 0.000 0.216 356 L C 2.473 179.347 176.870 0.006 0.000 1.114 356 L CA 1.203 56.083 54.840 0.066 0.000 0.777 356 L CB -0.887 41.250 42.059 0.129 0.000 0.910 356 L HN 0.299 nan 8.230 nan 0.000 0.440 357 T N -0.741 113.824 114.554 0.018 0.000 2.732 357 T HA -0.110 4.241 4.350 0.002 0.000 0.261 357 T C 1.957 176.652 174.700 -0.008 0.000 1.040 357 T CA 0.999 63.103 62.100 0.007 0.000 1.145 357 T CB -0.100 68.777 68.868 0.014 0.000 0.866 357 T HN 0.313 nan 8.240 nan 0.000 0.427 358 R N 0.917 121.412 120.500 -0.007 0.000 2.193 358 R HA 0.093 4.434 4.340 0.002 0.000 0.229 358 R C 1.843 178.134 176.300 -0.016 0.000 1.110 358 R CA 0.660 56.753 56.100 -0.011 0.000 0.988 358 R CB -0.464 29.828 30.300 -0.013 0.000 0.871 358 R HN 0.360 nan 8.270 nan 0.000 0.458 359 L N 0.406 121.616 121.223 -0.022 0.000 2.675 359 L HA -0.001 4.340 4.340 0.002 0.000 0.239 359 L C 1.394 178.216 176.870 -0.079 0.000 1.151 359 L CA 0.546 55.358 54.840 -0.045 0.000 0.905 359 L CB -0.395 41.624 42.059 -0.066 0.000 1.057 359 L HN 0.516 nan 8.230 nan 0.000 0.435 360 G N -0.478 108.289 108.800 -0.055 0.000 3.444 360 G HA2 -0.339 3.622 3.960 0.002 0.000 0.222 360 G HA3 -0.339 3.622 3.960 0.002 0.000 0.222 360 G C 0.506 175.369 174.900 -0.061 0.000 1.358 360 G CA 0.155 45.224 45.100 -0.051 0.000 0.880 360 G HN 0.082 nan 8.290 nan 0.000 0.555 361 V N 2.700 122.540 119.914 -0.122 0.000 2.975 361 V HA 0.149 4.270 4.120 0.002 0.000 0.300 361 V C 0.680 176.755 176.094 -0.032 0.000 1.186 361 V CA 0.818 63.043 62.300 -0.125 0.000 1.311 361 V CB 1.024 32.620 31.823 -0.380 0.000 0.917 361 V HN 0.487 nan 8.190 nan 0.000 0.512 362 E N 5.280 125.499 120.200 0.032 0.000 1.996 362 E HA 0.240 4.591 4.350 0.002 0.000 0.280 362 E C -2.358 174.306 176.600 0.107 0.000 1.092 362 E CA -1.880 54.555 56.400 0.057 0.000 0.862 362 E CB 0.678 30.410 29.700 0.054 0.000 1.066 362 E HN 0.463 nan 8.360 nan 0.000 0.396 363 P HA -0.019 nan 4.420 nan 0.000 0.269 363 P C -0.116 177.248 177.300 0.108 0.000 1.263 363 P CA -0.036 63.148 63.100 0.139 0.000 0.813 363 P CB 0.404 32.170 31.700 0.112 0.000 0.868 364 S N 2.323 118.089 115.700 0.110 0.000 2.545 364 S HA 0.113 4.584 4.470 0.002 0.000 0.275 364 S C 0.823 175.461 174.600 0.064 0.000 1.299 364 S CA -0.440 57.802 58.200 0.070 0.000 1.048 364 S CB 0.361 63.591 63.200 0.051 0.000 0.938 364 S HN 0.195 nan 8.310 nan 0.000 0.496 365 D N 2.919 123.350 120.400 0.052 0.000 2.411 365 D HA -0.025 4.616 4.640 0.002 0.000 0.226 365 D C 0.706 177.028 176.300 0.038 0.000 0.988 365 D CA 1.088 55.118 54.000 0.049 0.000 0.938 365 D CB -0.098 40.727 40.800 0.041 0.000 0.883 365 D HN 0.732 nan 8.370 nan 0.000 0.525 366 D N -0.842 119.575 120.400 0.027 0.000 2.338 366 D HA -0.034 4.607 4.640 0.002 0.000 0.208 366 D C 1.412 177.714 176.300 0.003 0.000 0.997 366 D CA 0.320 54.325 54.000 0.009 0.000 0.880 366 D CB 0.448 41.246 40.800 -0.004 0.000 0.980 366 D HN -0.049 nan 8.370 nan 0.000 0.509 367 D N -0.344 120.065 120.400 0.015 0.000 2.091 367 D HA -0.111 4.530 4.640 0.002 0.000 0.199 367 D C 1.974 178.305 176.300 0.053 0.000 0.980 367 D CA 0.675 54.676 54.000 0.002 0.000 0.831 367 D CB -0.495 40.346 40.800 0.067 0.000 0.987 367 D HN 0.223 nan 8.370 nan 0.000 0.460 368 C N 0.616 119.969 119.300 0.088 0.000 2.398 368 C HA -0.104 4.357 4.460 0.002 0.000 0.282 368 C C 2.849 177.888 174.990 0.082 0.000 1.275 368 C CA 0.278 59.356 59.018 0.100 0.000 1.797 368 C CB -0.922 26.873 27.740 0.092 0.000 1.991 368 C HN 0.163 nan 8.230 nan 0.000 0.505 369 V N 0.843 120.791 119.914 0.056 0.000 2.374 369 V HA -0.108 4.013 4.120 0.002 0.000 0.241 369 V C 2.397 178.525 176.094 0.057 0.000 1.034 369 V CA 2.195 64.524 62.300 0.048 0.000 1.037 369 V CB -0.767 31.068 31.823 0.019 0.000 0.682 369 V HN 0.585 nan 8.190 nan 0.000 0.463 370 S N 0.348 116.064 115.700 0.027 0.000 2.365 370 S HA -0.226 4.245 4.470 0.002 0.000 0.225 370 S C 1.954 176.590 174.600 0.060 0.000 1.039 370 S CA 1.699 59.913 58.200 0.025 0.000 1.033 370 S CB -0.669 62.502 63.200 -0.048 0.000 0.887 370 S HN 0.312 nan 8.310 nan 0.000 0.447 371 V N 2.507 122.453 119.914 0.053 0.000 2.214 371 V HA -0.270 3.851 4.120 0.002 0.000 0.244 371 V C 2.770 178.932 176.094 0.114 0.000 1.045 371 V CA 2.260 64.609 62.300 0.082 0.000 0.993 371 V CB -0.936 30.975 31.823 0.147 0.000 0.633 371 V HN 0.559 nan 8.190 nan 0.000 0.449 372 Q N -0.772 119.110 119.800 0.136 0.000 2.268 372 Q HA -0.376 3.965 4.340 0.002 0.000 0.213 372 Q C 2.121 178.212 176.000 0.152 0.000 0.995 372 Q CA 2.738 58.624 55.803 0.140 0.000 0.901 372 Q CB -0.305 28.505 28.738 0.121 0.000 0.921 372 Q HN 0.860 nan 8.270 nan 0.000 0.421 373 H N -0.555 118.544 119.070 0.048 0.000 2.363 373 H HA -0.040 4.517 4.556 0.002 0.000 0.301 373 H C 1.923 177.272 175.328 0.035 0.000 1.074 373 H CA 1.702 57.773 56.048 0.040 0.000 1.354 373 H CB -0.205 29.571 29.762 0.024 0.000 1.397 373 H HN 0.110 nan 8.280 nan 0.000 0.516 374 V N -0.260 119.636 119.914 -0.031 0.000 2.282 374 V HA -0.390 3.731 4.120 0.002 0.000 0.249 374 V C 2.898 178.932 176.094 -0.099 0.000 1.057 374 V CA 1.838 64.069 62.300 -0.115 0.000 1.032 374 V CB -1.157 30.623 31.823 -0.070 0.000 0.645 374 V HN 0.616 nan 8.190 nan 0.000 0.447 375 C N -0.344 118.957 119.300 0.002 0.000 2.385 375 C HA -0.237 4.224 4.460 0.002 0.000 0.275 375 C C 3.034 178.052 174.990 0.046 0.000 1.207 375 C CA 1.967 61.024 59.018 0.065 0.000 1.760 375 C CB -1.417 26.408 27.740 0.141 0.000 2.051 375 C HN 0.648 nan 8.230 nan 0.000 0.467 376 T N 1.106 115.669 114.554 0.015 0.000 2.708 376 T HA -0.108 4.243 4.350 0.002 0.000 0.266 376 T C 1.593 176.310 174.700 0.028 0.000 1.037 376 T CA 1.516 63.647 62.100 0.051 0.000 1.146 376 T CB -0.264 68.635 68.868 0.052 0.000 0.865 376 T HN 0.491 nan 8.240 nan 0.000 0.435 377 I N 0.607 121.093 120.570 -0.139 0.000 2.163 377 I HA -0.168 4.003 4.170 0.002 0.000 0.243 377 I C 2.465 178.546 176.117 -0.059 0.000 1.085 377 I CA 1.097 62.315 61.300 -0.137 0.000 1.347 377 I CB -0.645 37.214 38.000 -0.235 0.000 1.044 377 I HN 0.110 nan 8.210 nan 0.000 0.408 378 V N 0.618 120.490 119.914 -0.070 0.000 2.270 378 V HA -0.277 3.844 4.120 0.002 0.000 0.245 378 V C 2.659 178.748 176.094 -0.007 0.000 1.043 378 V CA 2.301 64.568 62.300 -0.055 0.000 1.014 378 V CB -0.602 31.187 31.823 -0.057 0.000 0.645 378 V HN 0.566 nan 8.190 nan 0.000 0.447 379 S N -0.988 114.726 115.700 0.023 0.000 2.500 379 S HA -0.154 4.317 4.470 0.002 0.000 0.239 379 S C 1.758 176.324 174.600 -0.056 0.000 0.989 379 S CA 1.259 59.466 58.200 0.012 0.000 0.951 379 S CB -0.440 62.794 63.200 0.056 0.000 0.759 379 S HN 0.510 nan 8.310 nan 0.000 0.523 380 F N 1.794 121.667 119.950 -0.128 0.000 2.446 380 F HA 0.452 4.980 4.527 0.002 0.000 0.292 380 F C 2.289 177.979 175.800 -0.184 0.000 1.096 380 F CA 0.017 57.914 58.000 -0.172 0.000 1.438 380 F CB -0.299 38.627 39.000 -0.124 0.000 1.107 380 F HN 0.139 nan 8.300 nan 0.000 0.546 381 R N -0.672 119.889 120.500 0.102 0.000 2.081 381 R HA -0.140 4.201 4.340 0.002 0.000 0.235 381 R C 2.497 178.762 176.300 -0.058 0.000 1.131 381 R CA 1.508 57.612 56.100 0.006 0.000 0.960 381 R CB -0.544 29.721 30.300 -0.058 0.000 0.856 381 R HN 0.251 nan 8.270 nan 0.000 0.436 382 S N -0.029 115.625 115.700 -0.076 0.000 2.363 382 S HA -0.195 4.276 4.470 0.002 0.000 0.218 382 S C 2.009 176.521 174.600 -0.147 0.000 1.035 382 S CA 1.569 59.722 58.200 -0.078 0.000 1.043 382 S CB -0.436 62.825 63.200 0.101 0.000 0.986 382 S HN 0.542 nan 8.310 nan 0.000 0.423 383 A N 1.425 123.966 122.820 -0.466 0.000 1.958 383 A HA -0.238 4.083 4.320 0.002 0.000 0.221 383 A C 1.992 179.447 177.584 -0.216 0.000 1.178 383 A CA 2.197 53.776 52.037 -0.764 0.000 0.642 383 A CB -1.213 17.038 19.000 -1.248 0.000 0.816 383 A HN 0.783 nan 8.150 nan 0.000 0.453 384 N N -0.639 118.012 118.700 -0.081 0.000 2.135 384 N HA -0.051 4.690 4.740 0.002 0.000 0.186 384 N C 1.753 177.281 175.510 0.030 0.000 1.027 384 N CA 1.196 54.280 53.050 0.057 0.000 0.849 384 N CB -0.214 38.347 38.487 0.124 0.000 1.002 384 N HN 0.450 nan 8.380 nan 0.000 0.425 385 L N 0.869 122.070 121.223 -0.037 0.000 1.971 385 L HA -0.206 4.135 4.340 0.002 0.000 0.215 385 L C 2.402 179.266 176.870 -0.010 0.000 1.072 385 L CA 1.097 55.914 54.840 -0.039 0.000 0.758 385 L CB -0.648 41.277 42.059 -0.224 0.000 0.889 385 L HN 0.037 nan 8.230 nan 0.000 0.433 386 V N 0.140 120.000 119.914 -0.091 0.000 2.317 386 V HA -0.381 3.740 4.120 0.002 0.000 0.251 386 V C 2.712 178.838 176.094 0.055 0.000 1.065 386 V CA 2.011 64.240 62.300 -0.119 0.000 1.049 386 V CB -0.941 30.776 31.823 -0.176 0.000 0.651 386 V HN 0.552 nan 8.190 nan 0.000 0.450 387 A N -0.572 122.389 122.820 0.235 0.000 2.019 387 A HA -0.071 4.250 4.320 0.002 0.000 0.219 387 A C 2.350 180.043 177.584 0.182 0.000 1.164 387 A CA 1.987 54.264 52.037 0.401 0.000 0.644 387 A CB -0.554 18.654 19.000 0.347 0.000 0.805 387 A HN 0.604 nan 8.150 nan 0.000 0.449 388 A N -0.350 122.519 122.820 0.082 0.000 1.898 388 A HA -0.011 4.309 4.320 0.002 0.000 0.214 388 A C 2.430 179.983 177.584 -0.052 0.000 1.183 388 A CA 2.196 54.255 52.037 0.037 0.000 0.622 388 A CB -1.141 17.890 19.000 0.052 0.000 0.824 388 A HN 0.674 nan 8.150 nan 0.000 0.444 389 T N -1.596 112.815 114.554 -0.238 0.000 2.770 389 T HA -0.099 4.252 4.350 0.002 0.000 0.263 389 T C 1.800 176.397 174.700 -0.172 0.000 1.039 389 T CA 1.331 63.083 62.100 -0.580 0.000 1.142 389 T CB -0.620 67.357 68.868 -1.485 0.000 0.868 389 T HN 0.246 nan 8.240 nan 0.000 0.435 390 L N 2.455 123.728 121.223 0.082 0.000 2.127 390 L HA 0.188 4.529 4.340 0.002 0.000 0.211 390 L C 2.535 179.515 176.870 0.183 0.000 1.089 390 L CA 1.964 57.009 54.840 0.341 0.000 0.757 390 L CB -1.228 41.143 42.059 0.520 0.000 0.899 390 L HN 0.398 nan 8.230 nan 0.000 0.434 391 G N -1.187 107.691 108.800 0.130 0.000 2.408 391 G HA2 -0.187 3.774 3.960 0.002 0.000 0.217 391 G HA3 -0.187 3.774 3.960 0.002 0.000 0.217 391 G C 1.579 176.512 174.900 0.054 0.000 1.150 391 G CA 0.625 45.779 45.100 0.089 0.000 0.776 391 G HN 0.632 nan 8.290 nan 0.000 0.542 392 A N 0.450 123.301 122.820 0.051 0.000 2.015 392 A HA 0.150 4.471 4.320 0.002 0.000 0.219 392 A C 2.336 179.934 177.584 0.023 0.000 1.163 392 A CA 0.908 52.983 52.037 0.063 0.000 0.646 392 A CB -0.236 18.858 19.000 0.157 0.000 0.806 392 A HN 0.388 nan 8.150 nan 0.000 0.448 393 I N -0.499 120.077 120.570 0.011 0.000 2.233 393 I HA -0.189 3.982 4.170 0.002 0.000 0.243 393 I C 2.228 178.260 176.117 -0.142 0.000 1.093 393 I CA 0.863 62.068 61.300 -0.159 0.000 1.380 393 I CB -0.256 37.655 38.000 -0.149 0.000 1.067 393 I HN 0.273 nan 8.210 nan 0.000 0.413 394 L N 0.454 121.653 121.223 -0.040 0.000 2.131 394 L HA -0.218 4.123 4.340 0.002 0.000 0.210 394 L C 2.155 179.013 176.870 -0.019 0.000 1.092 394 L CA 1.111 55.938 54.840 -0.021 0.000 0.759 394 L CB -0.745 41.319 42.059 0.009 0.000 0.903 394 L HN 0.325 nan 8.230 nan 0.000 0.435 395 N N 0.160 118.851 118.700 -0.015 0.000 2.244 395 N HA -0.170 4.571 4.740 0.002 0.000 0.183 395 N C 1.946 177.445 175.510 -0.019 0.000 1.016 395 N CA 0.876 53.921 53.050 -0.008 0.000 0.866 395 N CB -0.117 38.370 38.487 -0.000 0.000 0.980 395 N HN 0.200 nan 8.380 nan 0.000 0.430 396 R N 0.766 121.236 120.500 -0.051 0.000 2.090 396 R HA 0.150 4.491 4.340 0.002 0.000 0.228 396 R C 2.025 178.326 176.300 0.001 0.000 1.110 396 R CA 0.787 56.856 56.100 -0.051 0.000 0.973 396 R CB -0.540 29.676 30.300 -0.140 0.000 0.869 396 R HN 0.156 nan 8.270 nan 0.000 0.440 397 L N 0.033 121.251 121.223 -0.008 0.000 2.027 397 L HA -0.045 4.296 4.340 0.002 0.000 0.206 397 L C 2.780 179.677 176.870 0.044 0.000 1.074 397 L CA 1.607 56.475 54.840 0.046 0.000 0.745 397 L CB -0.442 41.639 42.059 0.036 0.000 0.898 397 L HN 0.234 nan 8.230 nan 0.000 0.433 398 R N 0.125 120.639 120.500 0.023 0.000 2.105 398 R HA -0.203 4.138 4.340 0.002 0.000 0.239 398 R C 1.728 178.045 176.300 0.029 0.000 1.135 398 R CA 1.992 58.106 56.100 0.023 0.000 0.967 398 R CB -0.143 30.165 30.300 0.013 0.000 0.861 398 R HN 0.339 nan 8.270 nan 0.000 0.442 399 D N -0.463 119.954 120.400 0.030 0.000 2.178 399 D HA -0.090 4.551 4.640 0.002 0.000 0.202 399 D C 1.383 177.720 176.300 0.060 0.000 0.974 399 D CA 1.120 55.140 54.000 0.034 0.000 0.841 399 D CB -0.215 40.597 40.800 0.020 0.000 0.953 399 D HN 0.374 nan 8.370 nan 0.000 0.478 400 N N 0.044 118.794 118.700 0.084 0.000 2.142 400 N HA -0.078 4.663 4.740 0.002 0.000 0.186 400 N C 1.484 177.039 175.510 0.075 0.000 1.023 400 N CA 0.649 53.769 53.050 0.118 0.000 0.852 400 N CB 0.167 38.742 38.487 0.146 0.000 0.998 400 N HN 0.079 nan 8.380 nan 0.000 0.424 401 K N -0.135 120.299 120.400 0.057 0.000 2.211 401 K HA -0.006 4.315 4.320 0.002 0.000 0.203 401 K C 1.392 178.012 176.600 0.034 0.000 1.050 401 K CA 0.887 57.199 56.287 0.041 0.000 0.945 401 K CB 0.046 32.569 32.500 0.038 0.000 0.732 401 K HN 0.320 nan 8.250 nan 0.000 0.451 402 G N 1.365 110.186 108.800 0.036 0.000 2.304 402 G HA2 -0.357 3.604 3.960 0.002 0.000 0.252 402 G HA3 -0.357 3.604 3.960 0.002 0.000 0.252 402 G C 0.579 175.493 174.900 0.023 0.000 1.014 402 G CA 0.727 45.844 45.100 0.029 0.000 0.619 402 G HN 0.487 nan 8.290 nan 0.000 0.525 403 T N -0.074 114.493 114.554 0.022 0.000 2.724 403 T HA 0.467 4.818 4.350 0.002 0.000 0.324 403 T C -0.378 174.331 174.700 0.015 0.000 1.071 403 T CA 0.188 62.299 62.100 0.018 0.000 1.061 403 T CB 1.578 70.457 68.868 0.018 0.000 0.990 403 T HN 0.208 nan 8.240 nan 0.000 0.543 404 P HA 0.196 nan 4.420 nan 0.000 0.226 404 P C 0.623 177.927 177.300 0.008 0.000 1.160 404 P CA 0.399 63.505 63.100 0.010 0.000 0.837 404 P CB 0.503 32.208 31.700 0.008 0.000 0.860 405 R N -0.247 120.257 120.500 0.006 0.000 2.856 405 R HA 0.679 5.020 4.340 0.002 0.000 0.258 405 R C -0.893 175.407 176.300 0.001 0.000 1.066 405 R CA -0.971 55.130 56.100 0.002 0.000 1.045 405 R CB 1.476 31.775 30.300 -0.002 0.000 1.178 405 R HN 0.019 nan 8.270 nan 0.000 0.499 406 L N 0.604 121.824 121.223 -0.005 0.000 2.436 406 L HA 0.496 4.837 4.340 0.002 0.000 0.268 406 L C -1.177 175.676 176.870 -0.028 0.000 0.974 406 L CA -0.464 54.371 54.840 -0.008 0.000 0.826 406 L CB 1.713 43.770 42.059 -0.003 0.000 1.291 406 L HN 0.394 nan 8.230 nan 0.000 0.406 407 R N 3.279 123.755 120.500 -0.040 0.000 2.451 407 R HA 0.666 5.007 4.340 0.002 0.000 0.307 407 R C -1.507 174.739 176.300 -0.091 0.000 0.965 407 R CA -0.073 55.972 56.100 -0.093 0.000 0.865 407 R CB 1.610 31.824 30.300 -0.143 0.000 1.174 407 R HN 0.865 nan 8.270 nan 0.000 0.455 408 T N 1.291 115.786 114.554 -0.098 0.000 2.853 408 T HA 0.479 4.830 4.350 0.002 0.000 0.311 408 T C -1.073 173.566 174.700 -0.103 0.000 1.307 408 T CA -0.230 61.835 62.100 -0.059 0.000 1.019 408 T CB 1.753 70.605 68.868 -0.028 0.000 1.264 408 T HN 0.440 nan 8.240 nan 0.000 0.497 409 T N 2.045 116.564 114.554 -0.057 0.000 2.925 409 T HA 0.701 5.052 4.350 0.002 0.000 0.285 409 T C -0.888 173.733 174.700 -0.132 0.000 1.021 409 T CA -0.534 61.508 62.100 -0.097 0.000 1.042 409 T CB 1.460 70.321 68.868 -0.011 0.000 1.037 409 T HN 0.520 nan 8.240 nan 0.000 0.481 410 V N 1.947 121.728 119.914 -0.222 0.000 2.482 410 V HA 0.586 4.707 4.120 0.002 0.000 0.295 410 V C 0.650 176.689 176.094 -0.093 0.000 1.026 410 V CA -0.929 61.246 62.300 -0.208 0.000 0.856 410 V CB 1.622 33.179 31.823 -0.443 0.000 1.001 410 V HN 1.071 nan 8.190 nan 0.000 0.424 411 G N 3.831 112.609 108.800 -0.036 0.000 2.403 411 G HA2 0.536 4.497 3.960 0.002 0.000 0.259 411 G HA3 0.536 4.497 3.960 0.002 0.000 0.259 411 G C -0.640 174.255 174.900 -0.008 0.000 1.244 411 G CA -0.078 45.019 45.100 -0.005 0.000 0.849 411 G HN 0.608 nan 8.290 nan 0.000 0.532 412 V N 1.861 121.766 119.914 -0.015 0.000 3.040 412 V HA 0.761 4.882 4.120 0.002 0.000 0.312 412 V C -0.826 175.185 176.094 -0.138 0.000 1.115 412 V CA -0.827 61.395 62.300 -0.129 0.000 0.998 412 V CB 2.379 34.017 31.823 -0.309 0.000 1.042 412 V HN 0.822 nan 8.190 nan 0.000 0.433 413 D N -0.019 120.268 120.400 -0.187 0.000 2.728 413 D HA 0.600 5.241 4.640 0.002 0.000 0.249 413 D C -0.650 175.596 176.300 -0.090 0.000 1.225 413 D CA 0.857 54.801 54.000 -0.093 0.000 0.748 413 D CB 2.152 42.921 40.800 -0.052 0.000 1.326 413 D HN 1.224 nan 8.370 nan 0.000 0.426 414 G N 0.757 109.540 108.800 -0.029 0.000 2.873 414 G HA2 0.176 4.137 3.960 0.002 0.000 0.507 414 G HA3 0.176 4.137 3.960 0.002 0.000 0.507 414 G C 0.746 175.648 174.900 0.003 0.000 1.440 414 G CA 0.294 45.376 45.100 -0.030 0.000 1.016 414 G HN 0.406 nan 8.290 nan 0.000 0.615 415 S N 1.005 116.697 115.700 -0.014 0.000 2.422 415 S HA -0.317 4.154 4.470 0.002 0.000 0.248 415 S C 2.584 177.165 174.600 -0.033 0.000 1.069 415 S CA 2.158 60.349 58.200 -0.015 0.000 1.214 415 S CB -0.453 62.727 63.200 -0.033 0.000 1.122 415 S HN 1.380 nan 8.310 nan 0.000 0.432 416 L N 0.241 121.399 121.223 -0.108 0.000 2.064 416 L HA -0.209 4.132 4.340 0.002 0.000 0.216 416 L C 2.080 178.813 176.870 -0.228 0.000 1.077 416 L CA 2.042 56.748 54.840 -0.223 0.000 0.766 416 L CB -0.757 41.059 42.059 -0.405 0.000 0.890 416 L HN 0.448 nan 8.230 nan 0.000 0.435 417 Y N -0.087 120.028 120.300 -0.307 0.000 2.153 417 Y HA -0.213 4.338 4.550 0.002 0.000 0.289 417 Y C 2.624 178.505 175.900 -0.031 0.000 1.127 417 Y CA 2.054 60.042 58.100 -0.186 0.000 1.131 417 Y CB -0.157 38.233 38.460 -0.116 0.000 0.995 417 Y HN 0.095 nan 8.280 nan 0.000 0.505 418 K N -0.676 119.871 120.400 0.245 0.000 2.211 418 K HA -0.101 4.220 4.320 0.002 0.000 0.204 418 K C 0.322 176.961 176.600 0.065 0.000 1.047 418 K CA 1.573 57.961 56.287 0.168 0.000 0.935 418 K CB -0.177 32.404 32.500 0.134 0.000 0.728 418 K HN 0.430 nan 8.250 nan 0.000 0.452 419 T N -2.142 112.437 114.554 0.042 0.000 3.504 419 T HA 0.242 4.593 4.350 0.002 0.000 0.286 419 T C -1.130 173.610 174.700 0.068 0.000 1.530 419 T CA -0.860 61.259 62.100 0.031 0.000 1.652 419 T CB 0.147 69.026 68.868 0.017 0.000 0.895 419 T HN 0.218 nan 8.240 nan 0.000 0.674 420 H N 1.623 120.657 119.070 -0.060 0.000 3.235 420 H HA 0.370 4.927 4.556 0.002 0.000 0.324 420 H C -2.311 172.990 175.328 -0.045 0.000 1.059 420 H CA -1.137 54.883 56.048 -0.046 0.000 1.497 420 H CB 1.867 31.603 29.762 -0.043 0.000 1.986 420 H HN 0.010 nan 8.280 nan 0.000 0.444 421 P HA -0.265 nan 4.420 nan 0.000 0.220 421 P C 0.588 177.798 177.300 -0.150 0.000 1.155 421 P CA 1.478 64.438 63.100 -0.234 0.000 0.880 421 P CB 0.465 32.008 31.700 -0.260 0.000 0.790 422 Q N -3.236 116.485 119.800 -0.132 0.000 2.353 422 Q HA 0.053 4.394 4.340 0.002 0.000 0.240 422 Q C 2.118 178.131 176.000 0.022 0.000 0.868 422 Q CA 0.076 55.867 55.803 -0.019 0.000 0.944 422 Q CB -0.880 27.838 28.738 -0.035 0.000 1.104 422 Q HN 0.263 nan 8.270 nan 0.000 0.531 423 Y N 3.345 123.754 120.300 0.180 0.000 1.993 423 Y HA -0.379 4.172 4.550 0.002 0.000 0.267 423 Y C 2.517 178.257 175.900 -0.266 0.000 1.155 423 Y CA 2.689 60.707 58.100 -0.137 0.000 1.105 423 Y CB -0.379 37.940 38.460 -0.236 0.000 0.960 423 Y HN 0.143 nan 8.280 nan 0.000 0.486 424 S N 0.218 115.834 115.700 -0.141 0.000 2.380 424 S HA -0.384 4.087 4.470 0.002 0.000 0.229 424 S C 2.024 176.345 174.600 -0.464 0.000 1.050 424 S CA 1.763 59.664 58.200 -0.498 0.000 1.100 424 S CB -0.855 62.007 63.200 -0.563 0.000 0.984 424 S HN 0.479 nan 8.310 nan 0.000 0.434 425 R N 1.626 121.985 120.500 -0.235 0.000 2.122 425 R HA -0.166 4.175 4.340 0.002 0.000 0.236 425 R C 2.633 178.807 176.300 -0.211 0.000 1.129 425 R CA 2.004 58.014 56.100 -0.150 0.000 0.925 425 R CB -0.234 30.005 30.300 -0.103 0.000 0.850 425 R HN 0.466 nan 8.270 nan 0.000 0.431 426 R N -0.626 119.688 120.500 -0.310 0.000 2.115 426 R HA -0.140 4.201 4.340 0.002 0.000 0.230 426 R C 2.292 178.398 176.300 -0.324 0.000 1.111 426 R CA 1.272 57.129 56.100 -0.405 0.000 0.976 426 R CB -0.635 29.096 30.300 -0.949 0.000 0.870 426 R HN 0.269 nan 8.270 nan 0.000 0.445 427 F N 2.106 121.730 119.950 -0.543 0.000 2.046 427 F HA -0.204 4.324 4.527 0.002 0.000 0.297 427 F C 1.924 177.547 175.800 -0.295 0.000 1.123 427 F CA 1.572 59.302 58.000 -0.450 0.000 1.199 427 F CB -0.878 37.847 39.000 -0.459 0.000 0.972 427 F HN 0.000 nan 8.300 nan 0.000 0.474 428 H N -0.351 118.311 119.070 -0.680 0.000 2.319 428 H HA -0.170 4.387 4.556 0.002 0.000 0.299 428 H C 2.320 177.446 175.328 -0.337 0.000 1.092 428 H CA 1.734 57.344 56.048 -0.731 0.000 1.302 428 H CB -0.284 29.122 29.762 -0.594 0.000 1.373 428 H HN 0.239 nan 8.280 nan 0.000 0.497 429 K N 0.326 120.669 120.400 -0.095 0.000 1.987 429 K HA -0.187 4.134 4.320 0.002 0.000 0.216 429 K C 2.165 178.758 176.600 -0.012 0.000 1.051 429 K CA 2.333 58.601 56.287 -0.032 0.000 0.942 429 K CB -0.163 32.331 32.500 -0.010 0.000 0.722 429 K HN 0.223 nan 8.250 nan 0.000 0.444 430 T N 1.863 116.419 114.554 0.003 0.000 2.759 430 T HA -0.182 4.169 4.350 0.002 0.000 0.269 430 T C 1.624 176.342 174.700 0.030 0.000 1.042 430 T CA 1.330 63.459 62.100 0.049 0.000 1.140 430 T CB -0.271 68.657 68.868 0.101 0.000 0.864 430 T HN 0.160 nan 8.240 nan 0.000 0.455 431 L N 2.168 123.379 121.223 -0.020 0.000 1.961 431 L HA -0.065 4.276 4.340 0.002 0.000 0.210 431 L C 2.458 179.344 176.870 0.026 0.000 1.072 431 L CA 1.737 56.578 54.840 0.001 0.000 0.749 431 L CB -0.666 41.330 42.059 -0.105 0.000 0.889 431 L HN 0.053 nan 8.230 nan 0.000 0.432 432 R N -0.252 120.257 120.500 0.015 0.000 2.139 432 R HA -0.229 4.112 4.340 0.002 0.000 0.243 432 R C 2.335 178.649 176.300 0.024 0.000 1.145 432 R CA 1.723 57.839 56.100 0.028 0.000 0.976 432 R CB -0.903 29.409 30.300 0.020 0.000 0.866 432 R HN 0.487 nan 8.270 nan 0.000 0.449 433 R N 1.092 121.606 120.500 0.023 0.000 2.073 433 R HA -0.020 4.321 4.340 0.002 0.000 0.229 433 R C 2.278 178.595 176.300 0.028 0.000 1.120 433 R CA 0.875 56.990 56.100 0.025 0.000 0.967 433 R CB -0.094 30.223 30.300 0.029 0.000 0.862 433 R HN 0.153 nan 8.270 nan 0.000 0.436 434 L N 0.111 121.355 121.223 0.036 0.000 2.179 434 L HA 0.041 4.382 4.340 0.002 0.000 0.208 434 L C 0.110 177.002 176.870 0.036 0.000 1.096 434 L CA 0.387 55.250 54.840 0.039 0.000 0.779 434 L CB 0.493 42.583 42.059 0.051 0.000 0.922 434 L HN -0.047 nan 8.230 nan 0.000 0.443 435 V N 0.143 120.080 119.914 0.038 0.000 2.305 435 V HA 0.229 4.350 4.120 0.002 0.000 0.275 435 V C -1.698 174.412 176.094 0.026 0.000 1.020 435 V CA -0.933 61.387 62.300 0.032 0.000 0.811 435 V CB 0.976 32.822 31.823 0.039 0.000 1.031 435 V HN -0.012 nan 8.190 nan 0.000 0.439 436 P HA 0.020 nan 4.420 nan 0.000 0.218 436 P C 0.579 177.885 177.300 0.010 0.000 1.151 436 P CA 0.688 63.796 63.100 0.015 0.000 0.850 436 P CB 0.291 31.999 31.700 0.013 0.000 0.801 437 D N 1.015 121.421 120.400 0.009 0.000 2.644 437 D HA 0.047 4.688 4.640 0.002 0.000 0.252 437 D C -0.058 176.243 176.300 0.003 0.000 1.254 437 D CA 0.051 54.055 54.000 0.006 0.000 0.884 437 D CB -0.996 39.809 40.800 0.007 0.000 1.034 437 D HN 0.172 nan 8.370 nan 0.000 0.473 438 S N -1.328 114.373 115.700 0.002 0.000 2.535 438 S HA 0.319 4.790 4.470 0.002 0.000 0.272 438 S C -1.518 173.076 174.600 -0.011 0.000 1.149 438 S CA -1.124 57.073 58.200 -0.006 0.000 0.888 438 S CB 2.447 65.645 63.200 -0.002 0.000 1.110 438 S HN -0.061 nan 8.310 nan 0.000 0.463 439 D N 2.127 122.511 120.400 -0.028 0.000 2.427 439 D HA 0.502 5.143 4.640 0.002 0.000 0.226 439 D C -0.980 175.285 176.300 -0.059 0.000 1.076 439 D CA -0.149 53.829 54.000 -0.037 0.000 0.849 439 D CB 1.596 42.367 40.800 -0.049 0.000 1.052 439 D HN 0.447 nan 8.370 nan 0.000 0.515 440 V N 4.657 124.544 119.914 -0.044 0.000 2.448 440 V HA 0.408 4.529 4.120 0.002 0.000 0.295 440 V C 0.358 176.391 176.094 -0.100 0.000 1.025 440 V CA -0.916 61.320 62.300 -0.107 0.000 0.859 440 V CB 1.875 33.623 31.823 -0.126 0.000 0.988 440 V HN 0.401 nan 8.190 nan 0.000 0.431 441 R N 3.959 124.359 120.500 -0.167 0.000 2.407 441 R HA 0.559 4.900 4.340 0.002 0.000 0.303 441 R C -1.709 174.480 176.300 -0.186 0.000 0.981 441 R CA -0.445 55.605 56.100 -0.084 0.000 0.905 441 R CB 0.974 31.241 30.300 -0.056 0.000 1.099 441 R HN 0.475 nan 8.270 nan 0.000 0.459 442 F N 5.144 125.067 119.950 -0.045 0.000 2.332 442 F HA 0.315 4.843 4.527 0.002 0.000 0.368 442 F C -0.379 175.464 175.800 0.071 0.000 1.110 442 F CA -0.838 57.187 58.000 0.043 0.000 1.087 442 F CB 1.436 40.493 39.000 0.095 0.000 1.235 442 F HN 0.353 nan 8.300 nan 0.000 0.470 443 L N 5.324 126.643 121.223 0.159 0.000 2.275 443 L HA 0.548 4.889 4.340 0.002 0.000 0.288 443 L C -1.058 175.900 176.870 0.146 0.000 1.046 443 L CA -0.654 54.266 54.840 0.134 0.000 0.805 443 L CB 1.089 43.193 42.059 0.074 0.000 1.193 443 L HN 0.550 nan 8.230 nan 0.000 0.426 444 L N 4.323 125.644 121.223 0.164 0.000 2.265 444 L HA 0.420 4.761 4.340 0.002 0.000 0.288 444 L C 0.289 177.214 176.870 0.091 0.000 1.058 444 L CA 0.241 55.169 54.840 0.148 0.000 0.809 444 L CB 1.436 43.631 42.059 0.227 0.000 1.179 444 L HN 0.766 nan 8.230 nan 0.000 0.429 445 S N 3.486 119.218 115.700 0.053 0.000 2.466 445 S HA 0.067 4.538 4.470 0.002 0.000 0.286 445 S C 0.913 175.535 174.600 0.038 0.000 1.221 445 S CA 0.032 58.252 58.200 0.033 0.000 1.091 445 S CB 0.097 63.301 63.200 0.007 0.000 0.956 445 S HN 0.890 nan 8.310 nan 0.000 0.501 446 E N 2.693 122.916 120.200 0.038 0.000 2.340 446 E HA -0.025 4.325 4.350 0.002 0.000 0.194 446 E C 1.756 178.366 176.600 0.015 0.000 0.996 446 E CA 0.653 57.074 56.400 0.035 0.000 0.869 446 E CB 0.204 29.928 29.700 0.040 0.000 0.835 446 E HN 0.831 nan 8.360 nan 0.000 0.493 447 S N -0.111 115.590 115.700 0.003 0.000 2.406 447 S HA 0.217 4.688 4.470 0.002 0.000 0.224 447 S C 1.164 175.755 174.600 -0.015 0.000 1.030 447 S CA 0.331 58.522 58.200 -0.016 0.000 0.958 447 S CB 0.377 63.555 63.200 -0.037 0.000 0.811 447 S HN 0.392 nan 8.310 nan 0.000 0.489 448 G N 0.580 109.373 108.800 -0.011 0.000 2.384 448 G HA2 -0.087 3.874 3.960 0.002 0.000 0.204 448 G HA3 -0.087 3.874 3.960 0.002 0.000 0.204 448 G C 0.455 175.342 174.900 -0.022 0.000 1.237 448 G CA -0.069 45.024 45.100 -0.012 0.000 1.060 448 G HN 0.121 nan 8.290 nan 0.000 0.514 449 S N 0.259 115.947 115.700 -0.021 0.000 2.439 449 S HA 0.167 4.638 4.470 0.002 0.000 0.224 449 S C 2.554 177.135 174.600 -0.031 0.000 1.029 449 S CA 1.802 59.986 58.200 -0.027 0.000 0.946 449 S CB -0.539 62.647 63.200 -0.023 0.000 0.797 449 S HN 1.653 nan 8.310 nan 0.000 0.504 450 G N 2.351 111.136 108.800 -0.025 0.000 2.649 450 G HA2 -0.367 3.594 3.960 0.002 0.000 0.220 450 G HA3 -0.367 3.594 3.960 0.002 0.000 0.220 450 G C 1.382 176.247 174.900 -0.059 0.000 1.189 450 G CA 1.385 46.467 45.100 -0.031 0.000 0.777 450 G HN 0.415 nan 8.290 nan 0.000 0.602 451 K N 0.253 120.604 120.400 -0.082 0.000 2.032 451 K HA -0.094 4.227 4.320 0.002 0.000 0.209 451 K C 2.787 179.308 176.600 -0.132 0.000 1.048 451 K CA 1.484 57.689 56.287 -0.137 0.000 0.927 451 K CB -0.727 31.658 32.500 -0.192 0.000 0.712 451 K HN 0.291 nan 8.250 nan 0.000 0.441 452 G N 0.454 109.201 108.800 -0.089 0.000 2.440 452 G HA2 -0.276 3.685 3.960 0.002 0.000 0.218 452 G HA3 -0.276 3.685 3.960 0.002 0.000 0.218 452 G C 1.562 176.418 174.900 -0.074 0.000 1.154 452 G CA 1.119 46.181 45.100 -0.064 0.000 0.767 452 G HN 0.447 nan 8.290 nan 0.000 0.552 453 A N 1.296 124.076 122.820 -0.067 0.000 1.877 453 A HA 0.221 4.542 4.320 0.002 0.000 0.216 453 A C 2.850 180.355 177.584 -0.132 0.000 1.186 453 A CA 2.434 54.434 52.037 -0.063 0.000 0.620 453 A CB -0.941 18.046 19.000 -0.021 0.000 0.822 453 A HN 0.887 nan 8.150 nan 0.000 0.443 454 A N -1.280 121.438 122.820 -0.170 0.000 1.978 454 A HA -0.147 4.174 4.320 0.002 0.000 0.220 454 A C 2.110 179.398 177.584 -0.494 0.000 1.170 454 A CA 2.042 53.865 52.037 -0.357 0.000 0.636 454 A CB -0.471 18.403 19.000 -0.210 0.000 0.810 454 A HN 0.420 nan 8.150 nan 0.000 0.448 455 M N -0.610 118.836 119.600 -0.255 0.000 2.229 455 M HA -0.057 4.424 4.480 0.002 0.000 0.264 455 M C 2.082 178.291 176.300 -0.152 0.000 1.063 455 M CA 1.103 56.306 55.300 -0.163 0.000 1.114 455 M CB -1.107 31.472 32.600 -0.034 0.000 1.387 455 M HN 0.251 nan 8.290 nan 0.000 0.420 456 V N -0.557 119.272 119.914 -0.142 0.000 2.407 456 V HA -0.169 3.952 4.120 0.002 0.000 0.245 456 V C 2.262 178.284 176.094 -0.120 0.000 1.041 456 V CA 1.754 63.999 62.300 -0.092 0.000 1.040 456 V CB -0.992 30.799 31.823 -0.055 0.000 0.671 456 V HN 0.408 nan 8.190 nan 0.000 0.455 457 T N 0.736 115.165 114.554 -0.207 0.000 2.720 457 T HA -0.203 4.148 4.350 0.002 0.000 0.268 457 T C 2.092 176.680 174.700 -0.188 0.000 1.037 457 T CA 1.656 63.639 62.100 -0.195 0.000 1.144 457 T CB -0.453 68.252 68.868 -0.272 0.000 0.864 457 T HN 0.557 nan 8.240 nan 0.000 0.444 458 A N 1.158 123.713 122.820 -0.443 0.000 1.859 458 A HA -0.124 4.197 4.320 0.002 0.000 0.217 458 A C 2.613 180.255 177.584 0.096 0.000 1.198 458 A CA 1.960 53.924 52.037 -0.122 0.000 0.629 458 A CB -1.176 17.743 19.000 -0.135 0.000 0.830 458 A HN 0.365 nan 8.150 nan 0.000 0.446 459 V N -0.177 119.750 119.914 0.020 0.000 2.358 459 V HA -0.217 3.904 4.120 0.002 0.000 0.246 459 V C 3.057 179.166 176.094 0.024 0.000 1.047 459 V CA 1.890 64.209 62.300 0.033 0.000 1.035 459 V CB -1.468 30.359 31.823 0.007 0.000 0.658 459 V HN 0.654 nan 8.190 nan 0.000 0.452 460 A N -0.486 122.348 122.820 0.022 0.000 1.873 460 A HA -0.328 3.993 4.320 0.002 0.000 0.218 460 A C 2.200 179.812 177.584 0.047 0.000 1.193 460 A CA 2.465 54.511 52.037 0.016 0.000 0.629 460 A CB -0.935 18.084 19.000 0.032 0.000 0.826 460 A HN 0.636 nan 8.150 nan 0.000 0.447 461 Y N 0.214 120.508 120.300 -0.010 0.000 2.181 461 Y HA -0.208 4.343 4.550 0.002 0.000 0.288 461 Y C 2.543 178.434 175.900 -0.016 0.000 1.146 461 Y CA 2.101 60.211 58.100 0.017 0.000 1.164 461 Y CB -0.383 38.143 38.460 0.111 0.000 0.982 461 Y HN 0.310 nan 8.280 nan 0.000 0.515 462 R N 0.045 120.577 120.500 0.053 0.000 2.096 462 R HA -0.190 4.151 4.340 0.002 0.000 0.240 462 R C 2.157 178.339 176.300 -0.197 0.000 1.139 462 R CA 2.110 58.174 56.100 -0.061 0.000 0.952 462 R CB -0.476 29.837 30.300 0.022 0.000 0.854 462 R HN 0.439 nan 8.270 nan 0.000 0.436 463 L N -0.298 120.791 121.223 -0.223 0.000 2.109 463 L HA -0.048 4.293 4.340 0.002 0.000 0.207 463 L C 2.691 179.213 176.870 -0.579 0.000 1.086 463 L CA 1.000 55.594 54.840 -0.409 0.000 0.760 463 L CB -0.686 41.128 42.059 -0.409 0.000 0.910 463 L HN 0.291 nan 8.230 nan 0.000 0.437 464 A N -0.002 122.578 122.820 -0.400 0.000 1.908 464 A HA -0.212 4.109 4.320 0.002 0.000 0.218 464 A C 2.209 179.605 177.584 -0.312 0.000 1.181 464 A CA 1.555 53.401 52.037 -0.318 0.000 0.627 464 A CB -0.327 18.556 19.000 -0.195 0.000 0.818 464 A HN 0.312 nan 8.150 nan 0.000 0.445 465 E N -0.282 119.688 120.200 -0.382 0.000 2.072 465 E HA -0.184 4.167 4.350 0.002 0.000 0.191 465 E C 2.174 178.618 176.600 -0.260 0.000 0.985 465 E CA 1.130 57.345 56.400 -0.309 0.000 0.801 465 E CB -0.443 29.063 29.700 -0.324 0.000 0.750 465 E HN 0.764 nan 8.360 nan 0.000 0.452 466 Q N -0.318 119.278 119.800 -0.339 0.000 2.061 466 Q HA -0.196 4.145 4.340 0.002 0.000 0.204 466 Q C 2.098 177.801 176.000 -0.496 0.000 0.984 466 Q CA 1.341 56.833 55.803 -0.519 0.000 0.846 466 Q CB -0.126 28.279 28.738 -0.555 0.000 0.902 466 Q HN 0.404 nan 8.270 nan 0.000 0.421 467 H N -0.160 118.658 119.070 -0.420 0.000 2.321 467 H HA -0.094 4.463 4.556 0.002 0.000 0.300 467 H C 1.980 177.141 175.328 -0.279 0.000 1.087 467 H CA 1.584 57.420 56.048 -0.353 0.000 1.319 467 H CB -0.325 29.283 29.762 -0.257 0.000 1.379 467 H HN 0.198 nan 8.280 nan 0.000 0.501 468 R N 0.944 121.390 120.500 -0.090 0.000 2.096 468 R HA -0.193 4.148 4.340 0.002 0.000 0.240 468 R C 2.056 178.309 176.300 -0.079 0.000 1.139 468 R CA 1.925 57.974 56.100 -0.084 0.000 0.952 468 R CB -0.024 30.223 30.300 -0.087 0.000 0.854 468 R HN 0.452 nan 8.270 nan 0.000 0.436 469 Q N 0.024 119.765 119.800 -0.097 0.000 2.079 469 Q HA -0.132 4.209 4.340 0.002 0.000 0.200 469 Q C 2.286 178.273 176.000 -0.020 0.000 0.974 469 Q CA 1.648 57.443 55.803 -0.014 0.000 0.840 469 Q CB -0.063 28.719 28.738 0.074 0.000 0.898 469 Q HN 0.469 nan 8.270 nan 0.000 0.430 470 I N 0.947 121.380 120.570 -0.229 0.000 2.226 470 I HA -0.243 3.928 4.170 0.002 0.000 0.245 470 I C 2.157 178.235 176.117 -0.065 0.000 1.100 470 I CA 1.074 62.197 61.300 -0.295 0.000 1.374 470 I CB -0.329 37.328 38.000 -0.572 0.000 1.057 470 I HN 0.249 nan 8.210 nan 0.000 0.413 471 E N 0.779 120.923 120.200 -0.093 0.000 2.072 471 E HA -0.201 4.150 4.350 0.002 0.000 0.191 471 E C 1.988 178.574 176.600 -0.023 0.000 0.985 471 E CA 0.965 57.328 56.400 -0.060 0.000 0.801 471 E CB -0.145 29.498 29.700 -0.095 0.000 0.750 471 E HN 0.557 nan 8.360 nan 0.000 0.452 472 E N 0.349 120.540 120.200 -0.015 0.000 2.058 472 E HA -0.155 4.196 4.350 0.002 0.000 0.194 472 E C 2.113 178.689 176.600 -0.039 0.000 0.997 472 E CA 1.587 57.967 56.400 -0.034 0.000 0.801 472 E CB -0.063 29.648 29.700 0.017 0.000 0.746 472 E HN 0.155 nan 8.360 nan 0.000 0.450 473 T N 1.543 116.196 114.554 0.165 0.000 2.674 473 T HA -0.110 4.241 4.350 0.002 0.000 0.265 473 T C 1.945 176.869 174.700 0.373 0.000 1.039 473 T CA 0.796 63.121 62.100 0.374 0.000 1.150 473 T CB -0.227 68.995 68.868 0.590 0.000 0.864 473 T HN 0.098 nan 8.240 nan 0.000 0.427 474 L N 0.913 122.318 121.223 0.303 0.000 2.187 474 L HA -0.099 4.242 4.340 0.002 0.000 0.213 474 L C 2.957 179.981 176.870 0.257 0.000 1.100 474 L CA 0.945 55.955 54.840 0.284 0.000 0.765 474 L CB -0.733 41.404 42.059 0.129 0.000 0.904 474 L HN 0.264 nan 8.230 nan 0.000 0.437 475 A N -0.539 122.319 122.820 0.063 0.000 2.076 475 A HA -0.230 4.091 4.320 0.002 0.000 0.220 475 A C 1.778 179.389 177.584 0.044 0.000 1.160 475 A CA 1.388 53.421 52.037 -0.007 0.000 0.653 475 A CB -0.859 18.058 19.000 -0.137 0.000 0.801 475 A HN 0.523 nan 8.150 nan 0.000 0.455 476 H N -2.849 116.336 119.070 0.191 0.000 2.559 476 H HA 0.068 4.625 4.556 0.002 0.000 0.273 476 H C 0.558 175.849 175.328 -0.062 0.000 1.000 476 H CA 0.761 56.833 56.048 0.039 0.000 1.195 476 H CB -0.081 29.654 29.762 -0.044 0.000 1.368 476 H HN 0.580 nan 8.280 nan 0.000 0.592 477 F N -0.744 119.317 119.950 0.185 0.000 2.641 477 F HA 0.104 4.632 4.527 0.002 0.000 0.302 477 F C 0.569 176.439 175.800 0.117 0.000 1.098 477 F CA -0.245 57.832 58.000 0.127 0.000 1.318 477 F CB 0.209 39.264 39.000 0.092 0.000 1.035 477 F HN 0.171 nan 8.300 nan 0.000 0.551 478 H N 1.096 120.260 119.070 0.157 0.000 2.556 478 H HA 0.542 5.099 4.556 0.002 0.000 0.310 478 H C -0.833 174.524 175.328 0.049 0.000 1.057 478 H CA -0.457 55.641 56.048 0.083 0.000 1.264 478 H CB 0.524 30.316 29.762 0.051 0.000 1.404 478 H HN 0.002 nan 8.280 nan 0.000 0.462 479 L N 5.249 126.243 121.223 -0.381 0.000 2.295 479 L HA 0.346 4.686 4.340 0.002 0.000 0.285 479 L C 0.632 177.226 176.870 -0.460 0.000 1.035 479 L CA -0.929 53.728 54.840 -0.305 0.000 0.806 479 L CB 1.657 43.628 42.059 -0.146 0.000 1.214 479 L HN 0.728 nan 8.230 nan 0.000 0.426 480 T N -1.834 112.558 114.554 -0.270 0.000 2.849 480 T HA 0.142 4.493 4.350 0.002 0.000 0.284 480 T C 1.007 175.647 174.700 -0.099 0.000 1.004 480 T CA -0.720 61.280 62.100 -0.167 0.000 1.021 480 T CB 1.578 70.416 68.868 -0.050 0.000 1.013 480 T HN 0.569 nan 8.240 nan 0.000 0.527 481 K N 0.266 120.631 120.400 -0.057 0.000 2.103 481 K HA -0.183 4.138 4.320 0.002 0.000 0.207 481 K C 1.400 177.985 176.600 -0.025 0.000 1.048 481 K CA 1.892 58.158 56.287 -0.034 0.000 0.930 481 K CB -0.465 32.026 32.500 -0.015 0.000 0.716 481 K HN 0.632 nan 8.250 nan 0.000 0.444 482 D N 0.301 120.689 120.400 -0.019 0.000 2.144 482 D HA -0.116 4.525 4.640 0.002 0.000 0.200 482 D C 1.934 178.226 176.300 -0.014 0.000 0.978 482 D CA 1.081 55.074 54.000 -0.012 0.000 0.833 482 D CB -0.051 40.746 40.800 -0.005 0.000 0.961 482 D HN 0.220 nan 8.370 nan 0.000 0.470 483 M N -0.306 119.278 119.600 -0.025 0.000 2.175 483 M HA -0.074 4.407 4.480 0.002 0.000 0.264 483 M C 2.030 178.320 176.300 -0.016 0.000 1.063 483 M CA 0.897 56.182 55.300 -0.024 0.000 1.119 483 M CB -0.029 32.547 32.600 -0.041 0.000 1.377 483 M HN -0.008 nan 8.290 nan 0.000 0.415 484 L N -0.493 120.716 121.223 -0.024 0.000 2.201 484 L HA -0.174 4.167 4.340 0.002 0.000 0.212 484 L C 2.127 178.998 176.870 0.002 0.000 1.105 484 L CA 0.796 55.630 54.840 -0.010 0.000 0.775 484 L CB -0.476 41.570 42.059 -0.021 0.000 0.913 484 L HN 0.329 nan 8.230 nan 0.000 0.440 485 L N -0.989 120.233 121.223 -0.002 0.000 2.179 485 L HA -0.102 4.239 4.340 0.002 0.000 0.208 485 L C 2.671 179.544 176.870 0.005 0.000 1.096 485 L CA 0.624 55.464 54.840 0.001 0.000 0.779 485 L CB -0.321 41.737 42.059 -0.001 0.000 0.922 485 L HN 0.178 nan 8.230 nan 0.000 0.443 486 E N 0.037 120.242 120.200 0.008 0.000 2.077 486 E HA -0.162 4.189 4.350 0.002 0.000 0.193 486 E C 2.317 178.938 176.600 0.036 0.000 0.989 486 E CA 1.178 57.587 56.400 0.015 0.000 0.800 486 E CB -0.157 29.549 29.700 0.010 0.000 0.746 486 E HN 0.250 nan 8.360 nan 0.000 0.452 487 V N 1.629 121.572 119.914 0.048 0.000 2.407 487 V HA -0.233 3.888 4.120 0.002 0.000 0.248 487 V C 2.551 178.677 176.094 0.054 0.000 1.055 487 V CA 1.844 64.206 62.300 0.103 0.000 1.049 487 V CB -0.444 31.444 31.823 0.107 0.000 0.662 487 V HN 0.224 nan 8.190 nan 0.000 0.455 488 K N 0.194 120.600 120.400 0.010 0.000 2.057 488 K HA -0.195 4.126 4.320 0.002 0.000 0.206 488 K C 2.298 178.869 176.600 -0.049 0.000 1.050 488 K CA 1.472 57.740 56.287 -0.032 0.000 0.935 488 K CB -0.100 32.392 32.500 -0.013 0.000 0.715 488 K HN 0.354 nan 8.250 nan 0.000 0.439 489 K N 0.514 120.903 120.400 -0.018 0.000 1.991 489 K HA -0.157 4.164 4.320 0.002 0.000 0.212 489 K C 2.266 178.853 176.600 -0.021 0.000 1.049 489 K CA 1.786 58.063 56.287 -0.017 0.000 0.932 489 K CB -0.068 32.432 32.500 0.000 0.000 0.717 489 K HN 0.146 nan 8.250 nan 0.000 0.441 490 R N 0.088 120.601 120.500 0.022 0.000 2.103 490 R HA -0.197 4.144 4.340 0.002 0.000 0.242 490 R C 2.335 178.595 176.300 -0.067 0.000 1.142 490 R CA 1.781 57.927 56.100 0.077 0.000 0.960 490 R CB -0.437 30.012 30.300 0.249 0.000 0.858 490 R HN 0.221 nan 8.270 nan 0.000 0.439 491 M N 1.008 120.430 119.600 -0.297 0.000 2.108 491 M HA -0.175 4.306 4.480 0.002 0.000 0.261 491 M C 2.108 178.204 176.300 -0.340 0.000 1.066 491 M CA 1.712 56.595 55.300 -0.695 0.000 1.107 491 M CB -0.304 31.916 32.600 -0.632 0.000 1.356 491 M HN -0.137 nan 8.290 nan 0.000 0.406 492 R N 0.248 120.637 120.500 -0.184 0.000 2.081 492 R HA 0.039 4.380 4.340 0.002 0.000 0.235 492 R C 2.046 178.302 176.300 -0.074 0.000 1.131 492 R CA 2.053 58.086 56.100 -0.112 0.000 0.960 492 R CB -1.150 29.105 30.300 -0.074 0.000 0.856 492 R HN 0.459 nan 8.270 nan 0.000 0.436 493 A N 0.971 123.759 122.820 -0.054 0.000 1.883 493 A HA -0.164 4.157 4.320 0.002 0.000 0.217 493 A C 1.951 179.526 177.584 -0.015 0.000 1.186 493 A CA 1.789 53.815 52.037 -0.019 0.000 0.624 493 A CB -0.556 18.445 19.000 0.002 0.000 0.822 493 A HN 0.428 nan 8.150 nan 0.000 0.444 494 E N -0.505 119.675 120.200 -0.033 0.000 2.150 494 E HA -0.145 4.206 4.350 0.002 0.000 0.193 494 E C 2.058 178.644 176.600 -0.023 0.000 0.985 494 E CA 1.006 57.397 56.400 -0.015 0.000 0.814 494 E CB -0.392 29.302 29.700 -0.010 0.000 0.752 494 E HN 0.715 nan 8.360 nan 0.000 0.466 495 M N 0.326 119.893 119.600 -0.055 0.000 2.117 495 M HA -0.188 4.293 4.480 0.002 0.000 0.262 495 M C 2.093 178.411 176.300 0.030 0.000 1.065 495 M CA 1.493 56.787 55.300 -0.009 0.000 1.114 495 M CB -0.209 32.372 32.600 -0.032 0.000 1.361 495 M HN 0.029 nan 8.290 nan 0.000 0.408 496 E N 0.444 120.654 120.200 0.016 0.000 2.028 496 E HA -0.128 4.223 4.350 0.002 0.000 0.191 496 E C 1.933 178.557 176.600 0.039 0.000 0.988 496 E CA 1.068 57.485 56.400 0.028 0.000 0.799 496 E CB -0.144 29.565 29.700 0.016 0.000 0.755 496 E HN 0.410 nan 8.360 nan 0.000 0.447 497 L N 0.071 121.313 121.223 0.031 0.000 2.137 497 L HA -0.209 4.132 4.340 0.002 0.000 0.213 497 L C 2.376 179.283 176.870 0.060 0.000 1.085 497 L CA 1.220 56.082 54.840 0.037 0.000 0.760 497 L CB -0.598 41.475 42.059 0.025 0.000 0.893 497 L HN 0.290 nan 8.230 nan 0.000 0.434 498 G N -0.604 108.238 108.800 0.070 0.000 2.464 498 G HA2 -0.056 3.905 3.960 0.002 0.000 0.217 498 G HA3 -0.056 3.905 3.960 0.002 0.000 0.217 498 G C 1.608 176.640 174.900 0.221 0.000 1.138 498 G CA 0.111 45.289 45.100 0.130 0.000 0.793 498 G HN 0.229 nan 8.290 nan 0.000 0.539 499 L N -0.292 121.000 121.223 0.114 0.000 2.162 499 L HA 0.201 4.542 4.340 0.002 0.000 0.205 499 L C 1.324 178.218 176.870 0.041 0.000 1.086 499 L CA 0.084 54.961 54.840 0.062 0.000 0.778 499 L CB -0.038 42.044 42.059 0.039 0.000 0.928 499 L HN -0.001 nan 8.230 nan 0.000 0.446 500 R N 1.697 122.231 120.500 0.056 0.000 2.404 500 R HA -0.041 4.300 4.340 0.002 0.000 0.315 500 R C 1.348 177.684 176.300 0.061 0.000 1.032 500 R CA -0.037 56.089 56.100 0.042 0.000 0.992 500 R CB 0.496 30.819 30.300 0.039 0.000 0.959 500 R HN 0.205 nan 8.270 nan 0.000 0.428 501 K N 3.315 123.730 120.400 0.025 0.000 2.218 501 K HA -0.245 4.076 4.320 0.002 0.000 0.205 501 K C 1.272 177.906 176.600 0.057 0.000 1.046 501 K CA 1.550 57.850 56.287 0.022 0.000 0.933 501 K CB 0.207 32.699 32.500 -0.014 0.000 0.728 501 K HN 0.551 nan 8.250 nan 0.000 0.454 502 Q N 0.154 119.982 119.800 0.047 0.000 2.311 502 Q HA -0.070 4.271 4.340 0.002 0.000 0.203 502 Q C 1.538 177.569 176.000 0.052 0.000 0.954 502 Q CA 1.757 57.585 55.803 0.043 0.000 0.885 502 Q CB -0.125 28.629 28.738 0.028 0.000 0.963 502 Q HN 0.355 nan 8.270 nan 0.000 0.471 503 T N -0.828 113.766 114.554 0.066 0.000 2.985 503 T HA 0.006 4.357 4.350 0.002 0.000 0.254 503 T C 1.339 176.083 174.700 0.072 0.000 1.021 503 T CA 0.275 62.409 62.100 0.056 0.000 0.957 503 T CB -0.199 68.693 68.868 0.041 0.000 1.047 503 T HN 0.490 nan 8.240 nan 0.000 0.511 504 H N 1.527 120.604 119.070 0.012 0.000 2.422 504 H HA -0.015 4.542 4.556 0.002 0.000 0.298 504 H C 2.181 177.519 175.328 0.017 0.000 1.098 504 H CA 2.068 58.124 56.048 0.013 0.000 1.315 504 H CB -0.173 29.594 29.762 0.008 0.000 1.382 504 H HN 0.259 nan 8.280 nan 0.000 0.523 505 N N 0.369 119.116 118.700 0.078 0.000 2.132 505 N HA -0.171 4.570 4.740 0.002 0.000 0.191 505 N C 0.083 175.562 175.510 -0.051 0.000 1.015 505 N CA 1.827 54.893 53.050 0.027 0.000 0.864 505 N CB -0.137 38.381 38.487 0.052 0.000 1.006 505 N HN 0.591 nan 8.380 nan 0.000 0.430 506 N N -1.021 117.650 118.700 -0.048 0.000 2.416 506 N HA 0.358 5.099 4.740 0.002 0.000 0.267 506 N C -1.224 174.254 175.510 -0.053 0.000 1.294 506 N CA -0.199 52.824 53.050 -0.045 0.000 0.891 506 N CB 1.365 39.843 38.487 -0.015 0.000 1.238 506 N HN 0.089 nan 8.380 nan 0.000 0.508 507 A N 0.188 122.946 122.820 -0.103 0.000 2.306 507 A HA 0.440 4.760 4.320 0.002 0.000 0.314 507 A C 1.383 178.928 177.584 -0.066 0.000 1.164 507 A CA -0.739 51.255 52.037 -0.072 0.000 0.822 507 A CB 0.537 19.488 19.000 -0.082 0.000 1.130 507 A HN 0.128 nan 8.150 nan 0.000 0.496 508 V N 1.433 121.346 119.914 -0.003 0.000 2.407 508 V HA 0.004 4.125 4.120 0.002 0.000 0.245 508 V C 0.864 176.990 176.094 0.054 0.000 1.041 508 V CA 0.948 63.266 62.300 0.029 0.000 1.040 508 V CB -1.120 30.741 31.823 0.063 0.000 0.671 508 V HN 0.431 nan 8.190 nan 0.000 0.455 509 V N 2.715 122.670 119.914 0.067 0.000 2.338 509 V HA 0.281 4.402 4.120 0.002 0.000 0.255 509 V C 1.277 177.400 176.094 0.047 0.000 1.082 509 V CA -0.372 61.980 62.300 0.086 0.000 0.951 509 V CB 0.598 32.465 31.823 0.074 0.000 1.102 509 V HN 0.372 nan 8.190 nan 0.000 0.489 510 K N 4.125 124.549 120.400 0.040 0.000 2.515 510 K HA 0.092 4.413 4.320 0.002 0.000 0.196 510 K C 1.028 177.719 176.600 0.151 0.000 1.038 510 K CA 0.115 56.416 56.287 0.024 0.000 0.967 510 K CB -0.180 32.339 32.500 0.032 0.000 0.780 510 K HN 0.690 nan 8.250 nan 0.000 0.483 511 M N 0.909 120.575 119.600 0.111 0.000 2.176 511 M HA -0.233 4.247 4.480 0.002 0.000 0.186 511 M C -0.613 175.717 176.300 0.050 0.000 0.619 511 M CA 0.767 56.118 55.300 0.085 0.000 0.438 511 M CB -2.495 30.161 32.600 0.094 0.000 1.020 511 M HN 0.017 nan 8.290 nan 0.000 0.920 512 L N 3.075 124.321 121.223 0.037 0.000 2.418 512 L HA 0.264 4.605 4.340 0.002 0.000 0.274 512 L C -1.377 175.416 176.870 -0.129 0.000 1.135 512 L CA -1.586 53.246 54.840 -0.015 0.000 0.870 512 L CB -0.019 42.052 42.059 0.019 0.000 1.154 512 L HN 0.154 nan 8.230 nan 0.000 0.462 513 P HA 0.054 nan 4.420 nan 0.000 0.271 513 P C 0.160 177.197 177.300 -0.439 0.000 1.216 513 P CA -0.347 62.506 63.100 -0.411 0.000 0.776 513 P CB 1.285 32.615 31.700 -0.616 0.000 0.881 514 S N 1.549 117.039 115.700 -0.350 0.000 2.503 514 S HA 0.115 4.586 4.470 0.002 0.000 0.215 514 S C 0.508 175.088 174.600 -0.033 0.000 1.003 514 S CA -0.203 57.901 58.200 -0.159 0.000 0.910 514 S CB -0.750 62.393 63.200 -0.096 0.000 0.790 514 S HN 0.306 nan 8.310 nan 0.000 0.514 515 F N 0.155 120.081 119.950 -0.041 0.000 2.999 515 F HA -0.134 4.394 4.527 0.002 0.000 0.291 515 F C -0.263 175.518 175.800 -0.031 0.000 0.824 515 F CA -0.022 57.958 58.000 -0.033 0.000 1.255 515 F CB -2.050 36.937 39.000 -0.021 0.000 1.333 515 F HN 0.151 nan 8.300 nan 0.000 0.502 516 V N 0.749 120.692 119.914 0.048 0.000 2.378 516 V HA 0.407 4.528 4.120 0.002 0.000 0.288 516 V C 0.912 176.999 176.094 -0.013 0.000 1.016 516 V CA -0.481 61.833 62.300 0.022 0.000 0.840 516 V CB 1.933 33.751 31.823 -0.009 0.000 0.994 516 V HN 0.281 nan 8.190 nan 0.000 0.431 517 R N 3.778 124.280 120.500 0.003 0.000 2.397 517 R HA 0.350 4.691 4.340 0.002 0.000 0.241 517 R C 0.629 176.918 176.300 -0.019 0.000 0.914 517 R CA -0.210 55.881 56.100 -0.014 0.000 1.071 517 R CB 0.717 31.020 30.300 0.006 0.000 1.116 517 R HN 0.630 nan 8.270 nan 0.000 0.524 518 R N 0.958 121.449 120.500 -0.014 0.000 2.604 518 R HA 0.191 4.532 4.340 0.002 0.000 0.270 518 R C -1.242 175.052 176.300 -0.011 0.000 1.052 518 R CA -0.505 55.587 56.100 -0.014 0.000 0.902 518 R CB 1.418 31.714 30.300 -0.006 0.000 1.233 518 R HN -0.055 nan 8.270 nan 0.000 0.455 519 T N 1.557 116.103 114.554 -0.014 0.000 2.813 519 T HA 0.269 4.620 4.350 0.002 0.000 0.297 519 T C -2.340 172.360 174.700 0.001 0.000 1.036 519 T CA -1.362 60.733 62.100 -0.007 0.000 1.044 519 T CB 0.381 69.242 68.868 -0.013 0.000 0.993 519 T HN 0.426 nan 8.240 nan 0.000 0.535 520 P HA 0.012 nan 4.420 nan 0.000 0.261 520 P C 0.340 177.639 177.300 -0.002 0.000 1.165 520 P CA 0.296 63.413 63.100 0.029 0.000 0.759 520 P CB 0.310 32.060 31.700 0.083 0.000 0.772 521 D N 1.970 122.372 120.400 0.004 0.000 2.346 521 D HA 0.073 4.714 4.640 0.002 0.000 0.206 521 D C 1.249 177.540 176.300 -0.016 0.000 1.001 521 D CA 0.765 54.760 54.000 -0.008 0.000 0.871 521 D CB -0.467 40.335 40.800 0.002 0.000 0.943 521 D HN 0.535 nan 8.370 nan 0.000 0.518 522 G N -0.172 108.624 108.800 -0.006 0.000 2.134 522 G HA2 -0.247 3.714 3.960 0.002 0.000 0.209 522 G HA3 -0.247 3.714 3.960 0.002 0.000 0.209 522 G C 0.831 175.744 174.900 0.023 0.000 0.993 522 G CA 0.700 45.791 45.100 -0.014 0.000 0.669 522 G HN 0.648 nan 8.290 nan 0.000 0.519 523 T N -2.554 112.025 114.554 0.041 0.000 3.003 523 T HA 0.410 4.761 4.350 0.002 0.000 0.261 523 T C 0.495 175.242 174.700 0.078 0.000 1.003 523 T CA 0.508 62.638 62.100 0.051 0.000 0.917 523 T CB 0.699 69.590 68.868 0.039 0.000 1.084 523 T HN 0.240 nan 8.240 nan 0.000 0.522 524 E N 2.584 122.839 120.200 0.092 0.000 2.493 524 E HA 0.402 4.753 4.350 0.002 0.000 0.255 524 E C -0.330 176.368 176.600 0.163 0.000 0.999 524 E CA 0.364 56.835 56.400 0.119 0.000 0.934 524 E CB 0.231 29.985 29.700 0.091 0.000 0.940 524 E HN 0.587 nan 8.360 nan 0.000 0.473 525 N N 1.314 120.139 118.700 0.208 0.000 2.329 525 N HA 0.717 5.458 4.740 0.002 0.000 0.282 525 N C -0.791 174.875 175.510 0.260 0.000 1.198 525 N CA 0.078 53.250 53.050 0.203 0.000 0.790 525 N CB 1.566 40.124 38.487 0.119 0.000 1.579 525 N HN 0.492 nan 8.380 nan 0.000 0.475 526 G N 1.130 110.029 108.800 0.164 0.000 2.343 526 G HA2 0.030 3.991 3.960 0.002 0.000 0.465 526 G HA3 0.030 3.991 3.960 0.002 0.000 0.465 526 G C -2.126 172.653 174.900 -0.202 0.000 1.282 526 G CA -0.891 44.149 45.100 -0.101 0.000 0.996 526 G HN 0.589 nan 8.290 nan 0.000 0.521 527 D N -0.205 119.852 120.400 -0.572 0.000 2.362 527 D HA 0.801 5.442 4.640 0.002 0.000 0.247 527 D C -0.562 175.334 176.300 -0.674 0.000 1.050 527 D CA 0.165 53.960 54.000 -0.342 0.000 0.839 527 D CB 1.345 42.044 40.800 -0.169 0.000 1.283 527 D HN 0.362 nan 8.370 nan 0.000 0.477 528 F N 0.183 120.170 119.950 0.063 0.000 2.626 528 F HA 0.495 5.023 4.527 0.001 0.000 0.311 528 F C -0.509 175.342 175.800 0.085 0.000 1.088 528 F CA -0.998 57.042 58.000 0.066 0.000 0.949 528 F CB 1.209 40.243 39.000 0.057 0.000 1.322 528 F HN -0.015 nan 8.300 nan 0.000 0.461 529 L N 1.648 123.039 121.223 0.280 0.000 2.334 529 L HA 0.940 5.280 4.340 0.002 0.000 0.272 529 L C -0.498 176.467 176.870 0.158 0.000 1.020 529 L CA -0.808 54.149 54.840 0.194 0.000 0.812 529 L CB 1.894 44.044 42.059 0.151 0.000 1.264 529 L HN 0.848 nan 8.230 nan 0.000 0.439 530 A N 2.604 125.474 122.820 0.084 0.000 2.539 530 A HA 0.816 5.137 4.320 0.002 0.000 0.296 530 A C -1.769 175.853 177.584 0.063 0.000 1.073 530 A CA -0.439 51.650 52.037 0.088 0.000 0.700 530 A CB 1.736 20.777 19.000 0.068 0.000 1.296 530 A HN 0.417 nan 8.150 nan 0.000 0.405 531 L N 1.040 122.374 121.223 0.185 0.000 2.342 531 L HA 0.660 5.001 4.340 0.002 0.000 0.271 531 L C -0.972 176.082 176.870 0.306 0.000 1.008 531 L CA -0.023 54.984 54.840 0.278 0.000 0.818 531 L CB 2.008 44.353 42.059 0.477 0.000 1.296 531 L HN 0.706 nan 8.230 nan 0.000 0.427 532 D N 2.668 123.242 120.400 0.289 0.000 2.389 532 D HA 0.449 5.090 4.640 0.002 0.000 0.256 532 D C -1.691 174.831 176.300 0.369 0.000 1.239 532 D CA -0.171 53.964 54.000 0.225 0.000 0.925 532 D CB 1.089 41.947 40.800 0.098 0.000 1.145 532 D HN 0.263 nan 8.370 nan 0.000 0.542 533 L N 2.660 124.068 121.223 0.307 0.000 2.386 533 L HA 0.821 5.162 4.340 0.002 0.000 0.271 533 L C 0.929 177.783 176.870 -0.027 0.000 0.993 533 L CA 0.308 55.312 54.840 0.274 0.000 0.819 533 L CB 1.922 44.191 42.059 0.350 0.000 1.294 533 L HN 0.531 nan 8.230 nan 0.000 0.414 534 G N 2.407 111.148 108.800 -0.098 0.000 2.617 534 G HA2 -0.094 3.867 3.960 0.002 0.000 0.197 534 G HA3 -0.094 3.867 3.960 0.002 0.000 0.197 534 G C 0.412 175.188 174.900 -0.207 0.000 1.017 534 G CA 0.005 44.852 45.100 -0.423 0.000 0.713 534 G HN 1.124 nan 8.290 nan 0.000 0.481 535 G N -0.049 108.710 108.800 -0.068 0.000 2.546 535 G HA2 0.462 4.423 3.960 0.002 0.000 0.239 535 G HA3 0.462 4.423 3.960 0.002 0.000 0.239 535 G C 1.455 176.389 174.900 0.056 0.000 1.476 535 G CA 1.684 46.769 45.100 -0.024 0.000 1.064 535 G HN 0.978 nan 8.290 nan 0.000 0.561 536 T N -1.662 112.917 114.554 0.041 0.000 2.942 536 T HA 0.070 4.421 4.350 0.002 0.000 0.265 536 T C 0.682 175.434 174.700 0.087 0.000 1.062 536 T CA 0.482 62.614 62.100 0.053 0.000 1.139 536 T CB -0.001 68.874 68.868 0.013 0.000 0.883 536 T HN 0.222 nan 8.240 nan 0.000 0.468 537 N N 1.191 119.945 118.700 0.090 0.000 2.399 537 N HA 0.399 5.140 4.740 0.002 0.000 0.280 537 N C -1.846 173.773 175.510 0.182 0.000 1.008 537 N CA -0.644 52.472 53.050 0.110 0.000 0.894 537 N CB 1.854 40.364 38.487 0.038 0.000 1.273 537 N HN 0.254 nan 8.380 nan 0.000 0.486 538 F N 4.224 124.237 119.950 0.104 0.000 2.420 538 F HA 0.425 4.953 4.527 0.002 0.000 0.352 538 F C 0.222 176.095 175.800 0.122 0.000 1.108 538 F CA -0.747 57.333 58.000 0.132 0.000 1.162 538 F CB 0.448 39.557 39.000 0.183 0.000 1.118 538 F HN 0.432 nan 8.300 nan 0.000 0.510 539 R N 4.512 124.795 120.500 -0.362 0.000 2.774 539 R HA 0.850 5.191 4.340 0.002 0.000 0.272 539 R C -2.251 173.785 176.300 -0.441 0.000 1.000 539 R CA -1.165 54.673 56.100 -0.438 0.000 0.906 539 R CB 1.656 31.835 30.300 -0.201 0.000 1.227 539 R HN 0.386 nan 8.270 nan 0.000 0.468 540 V N 2.410 122.064 119.914 -0.433 0.000 2.555 540 V HA 0.552 4.673 4.120 0.002 0.000 0.302 540 V C -0.622 174.995 176.094 -0.796 0.000 1.038 540 V CA -0.804 61.145 62.300 -0.585 0.000 0.887 540 V CB 1.346 32.722 31.823 -0.744 0.000 0.991 540 V HN 0.576 nan 8.190 nan 0.000 0.434 541 L N 4.399 125.279 121.223 -0.572 0.000 2.350 541 L HA 0.661 5.002 4.340 0.002 0.000 0.260 541 L C -0.813 176.071 176.870 0.024 0.000 1.015 541 L CA -0.591 54.094 54.840 -0.257 0.000 0.821 541 L CB 2.072 44.102 42.059 -0.048 0.000 1.370 541 L HN 0.413 nan 8.230 nan 0.000 0.416 542 L N 2.381 123.814 121.223 0.352 0.000 2.376 542 L HA 0.763 5.104 4.340 0.002 0.000 0.275 542 L C -1.547 175.506 176.870 0.305 0.000 0.987 542 L CA -0.493 54.585 54.840 0.397 0.000 0.828 542 L CB 1.853 44.200 42.059 0.480 0.000 1.249 542 L HN 0.459 nan 8.230 nan 0.000 0.409 543 V N 5.231 125.295 119.914 0.251 0.000 2.577 543 V HA 0.469 4.590 4.120 0.002 0.000 0.303 543 V C -0.477 175.767 176.094 0.251 0.000 1.042 543 V CA -0.840 61.584 62.300 0.208 0.000 0.872 543 V CB 2.258 34.165 31.823 0.139 0.000 0.998 543 V HN 0.666 nan 8.190 nan 0.000 0.423 544 K N 5.692 126.203 120.400 0.185 0.000 2.307 544 K HA 0.694 5.015 4.320 0.002 0.000 0.263 544 K C -1.233 175.457 176.600 0.150 0.000 0.973 544 K CA -0.513 55.875 56.287 0.168 0.000 0.846 544 K CB 2.459 35.029 32.500 0.118 0.000 1.100 544 K HN 0.518 nan 8.250 nan 0.000 0.438 545 I N 3.744 124.436 120.570 0.204 0.000 2.354 545 I HA 0.268 4.438 4.170 0.002 0.000 0.286 545 I C -0.150 176.057 176.117 0.149 0.000 1.007 545 I CA -0.902 60.497 61.300 0.166 0.000 1.167 545 I CB 0.922 39.038 38.000 0.193 0.000 1.320 545 I HN 0.267 nan 8.210 nan 0.000 0.458 546 R N 4.475 125.044 120.500 0.115 0.000 2.255 546 R HA 0.479 4.820 4.340 0.002 0.000 0.326 546 R C -0.146 176.214 176.300 0.101 0.000 0.986 546 R CA -0.336 55.820 56.100 0.093 0.000 0.847 546 R CB 1.711 32.053 30.300 0.071 0.000 1.111 546 R HN 0.762 nan 8.270 nan 0.000 0.452 547 S N 0.409 116.164 115.700 0.092 0.000 2.798 547 S HA 0.837 5.308 4.470 0.002 0.000 0.312 547 S C 0.832 175.466 174.600 0.056 0.000 1.122 547 S CA 0.198 58.448 58.200 0.083 0.000 0.949 547 S CB 2.247 65.501 63.200 0.090 0.000 1.235 547 S HN 0.751 nan 8.310 nan 0.000 0.552 548 G N 1.702 110.527 108.800 0.042 0.000 3.675 548 G HA2 -0.302 3.659 3.960 0.002 0.000 0.275 548 G HA3 -0.302 3.659 3.960 0.002 0.000 0.275 548 G C 0.642 175.556 174.900 0.023 0.000 1.648 548 G CA 0.466 45.584 45.100 0.029 0.000 1.093 548 G HN 0.910 nan 8.290 nan 0.000 0.617 549 K N 0.614 121.029 120.400 0.024 0.000 2.001 549 K HA 0.029 4.350 4.320 0.002 0.000 0.221 549 K C 0.230 176.843 176.600 0.021 0.000 0.991 549 K CA 1.036 57.335 56.287 0.019 0.000 1.047 549 K CB -0.210 32.302 32.500 0.020 0.000 0.867 549 K HN 0.207 nan 8.250 nan 0.000 0.469 550 K N 2.561 122.976 120.400 0.026 0.000 2.268 550 K HA 0.103 4.424 4.320 0.002 0.000 0.276 550 K C -0.830 175.797 176.600 0.045 0.000 1.080 550 K CA -0.175 56.130 56.287 0.029 0.000 0.910 550 K CB 1.075 33.591 32.500 0.027 0.000 1.163 550 K HN 0.405 nan 8.250 nan 0.000 0.465 551 R N 1.395 121.926 120.500 0.052 0.000 2.484 551 R HA 0.085 4.426 4.340 0.002 0.000 0.293 551 R C 0.260 176.632 176.300 0.119 0.000 1.023 551 R CA -0.017 56.137 56.100 0.089 0.000 1.037 551 R CB -0.455 29.897 30.300 0.086 0.000 0.951 551 R HN 0.499 nan 8.270 nan 0.000 0.418 552 T N -1.344 113.282 114.554 0.120 0.000 2.906 552 T HA 0.583 4.934 4.350 0.002 0.000 0.295 552 T C -0.662 174.092 174.700 0.091 0.000 1.075 552 T CA -0.871 61.290 62.100 0.102 0.000 1.005 552 T CB 2.053 70.960 68.868 0.066 0.000 1.136 552 T HN 0.330 nan 8.240 nan 0.000 0.498 553 V N 1.798 121.738 119.914 0.043 0.000 2.569 553 V HA 0.586 4.707 4.120 0.002 0.000 0.301 553 V C -0.584 175.499 176.094 -0.019 0.000 1.044 553 V CA -0.743 61.549 62.300 -0.013 0.000 0.874 553 V CB 1.427 33.166 31.823 -0.140 0.000 1.002 553 V HN 1.084 nan 8.190 nan 0.000 0.424 554 E N 6.408 126.610 120.200 0.004 0.000 2.191 554 E HA 0.757 5.108 4.350 0.002 0.000 0.263 554 E C -0.993 175.592 176.600 -0.025 0.000 0.881 554 E CA -0.714 55.669 56.400 -0.028 0.000 0.757 554 E CB 1.595 31.311 29.700 0.027 0.000 1.147 554 E HN 0.814 nan 8.360 nan 0.000 0.414 555 M N 2.191 121.710 119.600 -0.135 0.000 2.393 555 M HA 0.529 5.010 4.480 0.002 0.000 0.299 555 M C -1.663 174.532 176.300 -0.174 0.000 1.103 555 M CA -0.896 54.377 55.300 -0.045 0.000 0.910 555 M CB 2.050 34.648 32.600 -0.003 0.000 1.659 555 M HN 0.368 nan 8.290 nan 0.000 0.445 556 H N 1.232 120.384 119.070 0.138 0.000 2.679 556 H HA 0.761 5.318 4.556 0.002 0.000 0.367 556 H C -0.989 174.506 175.328 0.278 0.000 1.162 556 H CA -0.672 55.486 56.048 0.184 0.000 1.181 556 H CB 1.510 31.381 29.762 0.183 0.000 1.693 556 H HN 0.823 nan 8.280 nan 0.000 0.538 557 N N 0.329 119.256 118.700 0.378 0.000 2.853 557 N HA 0.445 5.186 4.740 0.002 0.000 0.258 557 N C -1.518 174.131 175.510 0.232 0.000 1.444 557 N CA -1.007 52.189 53.050 0.243 0.000 0.837 557 N CB 3.169 41.675 38.487 0.033 0.000 1.489 557 N HN 0.505 nan 8.380 nan 0.000 0.529 558 K N 0.771 121.178 120.400 0.010 0.000 2.543 558 K HA 0.425 4.746 4.320 0.002 0.000 0.255 558 K C -1.526 174.797 176.600 -0.462 0.000 0.934 558 K CA -0.598 55.560 56.287 -0.215 0.000 0.810 558 K CB 2.094 34.424 32.500 -0.283 0.000 1.315 558 K HN 0.567 nan 8.250 nan 0.000 0.433 559 I N 3.657 123.943 120.570 -0.473 0.000 2.532 559 I HA 0.270 4.441 4.170 0.002 0.000 0.292 559 I C -0.865 174.873 176.117 -0.631 0.000 1.014 559 I CA -0.556 60.501 61.300 -0.406 0.000 1.340 559 I CB 0.653 38.529 38.000 -0.207 0.000 1.422 559 I HN 0.557 nan 8.210 nan 0.000 0.528 560 Y N 3.345 123.526 120.300 -0.199 0.000 2.386 560 Y HA 0.534 5.085 4.550 0.002 0.000 0.334 560 Y C 0.384 176.394 175.900 0.183 0.000 1.002 560 Y CA -0.762 57.309 58.100 -0.048 0.000 1.068 560 Y CB 1.676 40.046 38.460 -0.149 0.000 1.203 560 Y HN 0.613 nan 8.280 nan 0.000 0.443 561 A N 3.374 126.391 122.820 0.328 0.000 2.346 561 A HA 0.712 5.033 4.320 0.002 0.000 0.255 561 A C -0.465 177.383 177.584 0.441 0.000 1.113 561 A CA -0.022 52.190 52.037 0.292 0.000 0.798 561 A CB 0.196 19.296 19.000 0.168 0.000 1.073 561 A HN 0.745 nan 8.150 nan 0.000 0.502 562 I N 1.268 121.997 120.570 0.264 0.000 2.598 562 I HA 0.192 4.363 4.170 0.002 0.000 0.277 562 I C -2.458 173.646 176.117 -0.020 0.000 1.179 562 I CA -1.333 60.074 61.300 0.179 0.000 1.081 562 I CB 1.898 40.003 38.000 0.174 0.000 1.272 562 I HN 0.478 nan 8.210 nan 0.000 0.471 563 P HA 0.025 nan 4.420 nan 0.000 0.261 563 P C 1.017 178.224 177.300 -0.155 0.000 1.173 563 P CA 0.210 63.242 63.100 -0.114 0.000 0.760 563 P CB 1.377 32.997 31.700 -0.134 0.000 0.783 564 I N 1.983 122.465 120.570 -0.147 0.000 2.530 564 I HA -0.305 3.866 4.170 0.002 0.000 0.257 564 I C 1.595 177.594 176.117 -0.197 0.000 1.179 564 I CA 1.566 62.749 61.300 -0.194 0.000 1.440 564 I CB 0.082 37.993 38.000 -0.149 0.000 1.087 564 I HN 0.331 nan 8.210 nan 0.000 0.440 565 E N 0.786 120.894 120.200 -0.153 0.000 2.072 565 E HA -0.174 4.177 4.350 0.002 0.000 0.191 565 E C 2.170 178.679 176.600 -0.152 0.000 0.985 565 E CA 1.482 57.802 56.400 -0.133 0.000 0.801 565 E CB -0.151 29.488 29.700 -0.103 0.000 0.750 565 E HN 0.533 nan 8.360 nan 0.000 0.452 566 I N 0.315 120.781 120.570 -0.173 0.000 2.353 566 I HA -0.203 3.968 4.170 0.002 0.000 0.248 566 I C 2.331 178.313 176.117 -0.225 0.000 1.119 566 I CA 0.882 62.081 61.300 -0.169 0.000 1.417 566 I CB -0.156 37.730 38.000 -0.190 0.000 1.078 566 I HN 0.193 nan 8.210 nan 0.000 0.421 567 M N -0.166 119.230 119.600 -0.341 0.000 2.267 567 M HA -0.235 4.246 4.480 0.002 0.000 0.263 567 M C 1.222 177.184 176.300 -0.562 0.000 1.063 567 M CA 1.860 56.785 55.300 -0.624 0.000 1.090 567 M CB 0.046 32.183 32.600 -0.772 0.000 1.392 567 M HN 0.270 nan 8.290 nan 0.000 0.422 568 Q N -1.542 118.046 119.800 -0.353 0.000 2.135 568 Q HA 0.211 4.552 4.340 0.002 0.000 0.222 568 Q C 0.861 176.767 176.000 -0.156 0.000 0.808 568 Q CA -0.247 55.394 55.803 -0.269 0.000 1.049 568 Q CB 0.951 29.557 28.738 -0.219 0.000 1.168 568 Q HN 0.470 nan 8.270 nan 0.000 0.483 569 G N 1.561 110.280 108.800 -0.135 0.000 3.197 569 G HA2 0.109 4.070 3.960 0.002 0.000 0.167 569 G HA3 0.109 4.070 3.960 0.002 0.000 0.167 569 G C 0.266 175.154 174.900 -0.020 0.000 1.914 569 G CA 0.616 45.675 45.100 -0.069 0.000 0.956 569 G HN 0.265 nan 8.290 nan 0.000 0.480 570 T N -3.520 111.042 114.554 0.014 0.000 2.893 570 T HA 0.517 4.868 4.350 0.002 0.000 0.291 570 T C 1.387 176.156 174.700 0.114 0.000 1.028 570 T CA 0.498 62.633 62.100 0.058 0.000 0.995 570 T CB 1.608 70.504 68.868 0.045 0.000 1.051 570 T HN 0.740 nan 8.240 nan 0.000 0.470 571 G N 1.066 109.965 108.800 0.165 0.000 2.517 571 G HA2 -0.201 3.760 3.960 0.002 0.000 0.222 571 G HA3 -0.201 3.760 3.960 0.002 0.000 0.222 571 G C 1.157 176.228 174.900 0.285 0.000 1.109 571 G CA 0.786 46.056 45.100 0.284 0.000 0.746 571 G HN 0.841 nan 8.290 nan 0.000 0.576 572 E N 0.627 120.917 120.200 0.150 0.000 2.006 572 E HA -0.126 4.225 4.350 0.002 0.000 0.192 572 E C 2.585 179.270 176.600 0.142 0.000 0.993 572 E CA 1.424 57.898 56.400 0.123 0.000 0.808 572 E CB -0.160 29.581 29.700 0.067 0.000 0.764 572 E HN 0.688 nan 8.360 nan 0.000 0.449 573 E N 0.999 121.260 120.200 0.102 0.000 2.077 573 E HA -0.207 4.144 4.350 0.002 0.000 0.193 573 E C 2.237 178.901 176.600 0.107 0.000 0.989 573 E CA 0.769 57.217 56.400 0.081 0.000 0.800 573 E CB -0.261 29.457 29.700 0.031 0.000 0.746 573 E HN 0.071 nan 8.360 nan 0.000 0.452 574 L N 0.601 121.890 121.223 0.110 0.000 1.956 574 L HA -0.188 4.153 4.340 0.002 0.000 0.216 574 L C 2.104 178.985 176.870 0.018 0.000 1.073 574 L CA 1.829 56.702 54.840 0.055 0.000 0.762 574 L CB -0.555 41.533 42.059 0.048 0.000 0.889 574 L HN 0.019 nan 8.230 nan 0.000 0.433 575 F N -0.209 119.793 119.950 0.086 0.000 2.451 575 F HA -0.150 4.378 4.527 0.002 0.000 0.299 575 F C 2.245 178.065 175.800 0.032 0.000 1.101 575 F CA 1.112 59.140 58.000 0.047 0.000 1.436 575 F CB -0.483 38.532 39.000 0.026 0.000 1.074 575 F HN 0.242 nan 8.300 nan 0.000 0.553 576 D N -1.086 119.435 120.400 0.203 0.000 2.103 576 D HA -0.186 4.455 4.640 0.002 0.000 0.199 576 D C 2.101 178.484 176.300 0.138 0.000 0.978 576 D CA 1.310 55.396 54.000 0.143 0.000 0.829 576 D CB -0.475 40.396 40.800 0.119 0.000 0.981 576 D HN 0.259 nan 8.370 nan 0.000 0.464 577 H N 1.194 120.282 119.070 0.030 0.000 2.319 577 H HA -0.078 4.479 4.556 0.002 0.000 0.297 577 H C 2.180 177.517 175.328 0.015 0.000 1.097 577 H CA 1.451 57.507 56.048 0.013 0.000 1.285 577 H CB -0.578 29.172 29.762 -0.020 0.000 1.368 577 H HN 0.104 nan 8.280 nan 0.000 0.495 578 I N -0.517 119.936 120.570 -0.196 0.000 2.127 578 I HA -0.299 3.872 4.170 0.002 0.000 0.241 578 I C 2.396 178.483 176.117 -0.051 0.000 1.075 578 I CA 1.500 62.665 61.300 -0.225 0.000 1.334 578 I CB -0.407 37.454 38.000 -0.231 0.000 1.040 578 I HN 0.171 nan 8.210 nan 0.000 0.405 579 V N 0.088 120.023 119.914 0.035 0.000 2.392 579 V HA -0.309 3.812 4.120 0.002 0.000 0.249 579 V C 2.615 178.803 176.094 0.157 0.000 1.059 579 V CA 2.154 64.541 62.300 0.145 0.000 1.051 579 V CB -0.733 31.182 31.823 0.153 0.000 0.658 579 V HN 0.497 nan 8.190 nan 0.000 0.455 580 S N -0.716 115.029 115.700 0.074 0.000 2.359 580 S HA -0.265 4.206 4.470 0.002 0.000 0.224 580 S C 2.080 176.643 174.600 -0.062 0.000 1.035 580 S CA 2.266 60.504 58.200 0.063 0.000 1.018 580 S CB -0.602 62.651 63.200 0.090 0.000 0.876 580 S HN 0.683 nan 8.310 nan 0.000 0.448 581 C N 1.278 120.441 119.300 -0.229 0.000 2.429 581 C HA 0.021 4.482 4.460 0.002 0.000 0.277 581 C C 2.459 177.160 174.990 -0.481 0.000 1.262 581 C CA 0.664 59.319 59.018 -0.606 0.000 1.733 581 C CB -1.554 25.757 27.740 -0.715 0.000 2.010 581 C HN 0.647 nan 8.230 nan 0.000 0.483 582 I N 1.661 122.104 120.570 -0.211 0.000 2.264 582 I HA -0.208 3.963 4.170 0.002 0.000 0.248 582 I C 2.693 178.664 176.117 -0.242 0.000 1.111 582 I CA 1.925 63.137 61.300 -0.147 0.000 1.382 582 I CB -0.564 37.421 38.000 -0.026 0.000 1.060 582 I HN 0.463 nan 8.210 nan 0.000 0.418 583 S N 0.892 116.462 115.700 -0.218 0.000 2.338 583 S HA -0.289 4.182 4.470 0.002 0.000 0.218 583 S C 1.836 176.362 174.600 -0.123 0.000 1.032 583 S CA 1.887 59.912 58.200 -0.293 0.000 0.999 583 S CB -0.480 62.781 63.200 0.102 0.000 0.905 583 S HN 0.511 nan 8.310 nan 0.000 0.439 584 D N -0.102 120.276 120.400 -0.036 0.000 2.133 584 D HA -0.199 4.442 4.640 0.002 0.000 0.195 584 D C 1.720 178.100 176.300 0.134 0.000 0.997 584 D CA 1.630 55.660 54.000 0.051 0.000 0.840 584 D CB -0.478 40.369 40.800 0.078 0.000 0.947 584 D HN 0.520 nan 8.370 nan 0.000 0.452 585 F N 0.338 120.288 119.950 -0.001 0.000 2.234 585 F HA 0.036 4.564 4.527 0.002 0.000 0.299 585 F C 1.817 177.653 175.800 0.060 0.000 1.087 585 F CA 0.843 58.911 58.000 0.113 0.000 1.340 585 F CB -0.076 38.985 39.000 0.103 0.000 1.031 585 F HN 0.004 nan 8.300 nan 0.000 0.500 586 L N -0.124 121.094 121.223 -0.008 0.000 2.131 586 L HA -0.200 4.141 4.340 0.002 0.000 0.210 586 L C 2.031 178.807 176.870 -0.157 0.000 1.092 586 L CA 1.168 55.922 54.840 -0.144 0.000 0.759 586 L CB -0.662 41.247 42.059 -0.250 0.000 0.903 586 L HN 0.110 nan 8.230 nan 0.000 0.435 587 D N -0.900 119.448 120.400 -0.087 0.000 2.085 587 D HA -0.225 4.416 4.640 0.002 0.000 0.199 587 D C 1.852 178.116 176.300 -0.061 0.000 0.981 587 D CA 1.118 55.088 54.000 -0.050 0.000 0.834 587 D CB -0.331 40.475 40.800 0.010 0.000 0.992 587 D HN 0.177 nan 8.370 nan 0.000 0.457 588 Y N 1.067 121.253 120.300 -0.189 0.000 2.062 588 Y HA -0.274 4.277 4.550 0.002 0.000 0.276 588 Y C 2.169 177.866 175.900 -0.338 0.000 1.189 588 Y CA 1.708 59.670 58.100 -0.229 0.000 1.130 588 Y CB -0.212 38.113 38.460 -0.224 0.000 0.959 588 Y HN -0.088 nan 8.280 nan 0.000 0.499 589 M N -1.049 118.269 119.600 -0.470 0.000 2.492 589 M HA 0.101 4.582 4.480 0.002 0.000 0.262 589 M C 2.152 178.242 176.300 -0.350 0.000 1.090 589 M CA 1.233 56.207 55.300 -0.545 0.000 1.110 589 M CB -1.361 30.841 32.600 -0.663 0.000 1.407 589 M HN 0.599 nan 8.290 nan 0.000 0.470 590 G N 1.282 109.928 108.800 -0.256 0.000 2.284 590 G HA2 -0.289 3.672 3.960 0.002 0.000 0.247 590 G HA3 -0.289 3.672 3.960 0.002 0.000 0.247 590 G C 0.826 175.645 174.900 -0.136 0.000 1.012 590 G CA 0.459 45.456 45.100 -0.171 0.000 0.618 590 G HN 0.591 nan 8.290 nan 0.000 0.521 591 I N 0.152 120.630 120.570 -0.152 0.000 3.434 591 I HA 0.271 4.442 4.170 0.002 0.000 0.308 591 I C 1.027 177.097 176.117 -0.077 0.000 1.269 591 I CA 1.018 62.257 61.300 -0.102 0.000 1.265 591 I CB -0.413 37.533 38.000 -0.090 0.000 1.005 591 I HN 0.186 nan 8.210 nan 0.000 0.554 592 K N 2.415 122.764 120.400 -0.084 0.000 2.351 592 K HA 0.438 4.759 4.320 0.002 0.000 0.287 592 K C 0.549 177.140 176.600 -0.016 0.000 1.068 592 K CA 0.772 57.021 56.287 -0.063 0.000 0.998 592 K CB 0.235 32.697 32.500 -0.063 0.000 0.968 592 K HN 0.462 nan 8.250 nan 0.000 0.464 593 G N 4.137 112.944 108.800 0.012 0.000 2.684 593 G HA2 -0.007 3.954 3.960 0.002 0.000 0.107 593 G HA3 -0.007 3.954 3.960 0.002 0.000 0.107 593 G C -2.067 172.856 174.900 0.039 0.000 1.201 593 G CA -0.241 44.876 45.100 0.028 0.000 1.113 593 G HN 0.652 nan 8.290 nan 0.000 0.356 594 P HA 0.299 nan 4.420 nan 0.000 0.273 594 P C -0.676 176.646 177.300 0.037 0.000 1.258 594 P CA -0.185 62.927 63.100 0.019 0.000 0.802 594 P CB 0.569 32.267 31.700 -0.002 0.000 1.040 595 R N 0.500 121.018 120.500 0.031 0.000 2.391 595 R HA 0.313 4.654 4.340 0.002 0.000 0.310 595 R C 0.088 176.405 176.300 0.029 0.000 1.174 595 R CA -0.195 55.931 56.100 0.044 0.000 1.118 595 R CB -0.242 30.078 30.300 0.034 0.000 1.134 595 R HN 0.463 nan 8.270 nan 0.000 0.524 596 M N 4.908 124.532 119.600 0.040 0.000 2.274 596 M HA 0.343 4.824 4.480 0.002 0.000 0.344 596 M C -2.014 174.321 176.300 0.058 0.000 1.161 596 M CA -1.917 53.397 55.300 0.023 0.000 1.126 596 M CB 1.378 33.995 32.600 0.028 0.000 1.522 596 M HN 0.229 nan 8.290 nan 0.000 0.461 597 P HA 0.318 nan 4.420 nan 0.000 0.280 597 P C -1.457 175.966 177.300 0.205 0.000 1.244 597 P CA -0.323 62.860 63.100 0.138 0.000 0.784 597 P CB 1.006 32.814 31.700 0.180 0.000 0.913 598 L N 2.475 123.803 121.223 0.176 0.000 2.386 598 L HA 0.796 5.137 4.340 0.002 0.000 0.271 598 L C -0.240 176.731 176.870 0.168 0.000 0.993 598 L CA -0.596 54.346 54.840 0.170 0.000 0.819 598 L CB 1.911 44.040 42.059 0.117 0.000 1.294 598 L HN 0.449 nan 8.230 nan 0.000 0.414 599 G N 3.099 112.001 108.800 0.170 0.000 2.335 599 G HA2 0.437 4.398 3.960 0.002 0.000 0.316 599 G HA3 0.437 4.398 3.960 0.002 0.000 0.316 599 G C -1.496 173.563 174.900 0.265 0.000 1.129 599 G CA -0.289 44.911 45.100 0.167 0.000 0.899 599 G HN 0.426 nan 8.290 nan 0.000 0.448 600 F N 3.100 123.105 119.950 0.092 0.000 2.308 600 F HA 0.440 4.968 4.527 0.002 0.000 0.370 600 F C 0.370 176.262 175.800 0.154 0.000 1.100 600 F CA -1.355 56.721 58.000 0.126 0.000 1.108 600 F CB 1.165 40.236 39.000 0.119 0.000 1.293 600 F HN 0.244 nan 8.300 nan 0.000 0.478 601 T N 7.291 121.964 114.554 0.199 0.000 2.739 601 T HA 0.199 4.550 4.350 0.002 0.000 0.298 601 T C -0.795 173.837 174.700 -0.112 0.000 0.929 601 T CA 0.105 62.216 62.100 0.019 0.000 1.014 601 T CB -0.336 68.558 68.868 0.043 0.000 0.914 601 T HN 0.348 nan 8.240 nan 0.000 0.509 602 F N 3.375 123.068 119.950 -0.429 0.000 2.366 602 F HA 0.326 4.854 4.527 0.002 0.000 0.366 602 F C 0.470 176.136 175.800 -0.223 0.000 1.096 602 F CA -1.481 56.268 58.000 -0.419 0.000 1.060 602 F CB 0.917 39.555 39.000 -0.604 0.000 1.282 602 F HN 0.400 nan 8.300 nan 0.000 0.450 603 S N 6.497 121.822 115.700 -0.626 0.000 3.864 603 S HA 0.296 4.767 4.470 0.002 0.000 0.202 603 S C -0.711 173.156 174.600 -1.222 0.000 1.402 603 S CA 0.053 57.793 58.200 -0.767 0.000 1.072 603 S CB -1.093 61.681 63.200 -0.710 0.000 1.383 603 S HN 0.391 nan 8.310 nan 0.000 0.458 604 F N 0.685 120.380 119.950 -0.425 0.000 2.643 604 F HA 0.465 4.993 4.527 0.002 0.000 0.314 604 F C -2.611 173.117 175.800 -0.119 0.000 1.096 604 F CA -2.660 55.164 58.000 -0.293 0.000 0.953 604 F CB 1.111 39.826 39.000 -0.475 0.000 1.345 604 F HN -0.131 nan 8.300 nan 0.000 0.468 605 P HA 0.186 nan 4.420 nan 0.000 0.269 605 P C -0.939 176.425 177.300 0.107 0.000 1.252 605 P CA 0.101 63.264 63.100 0.103 0.000 0.780 605 P CB 0.361 32.123 31.700 0.103 0.000 0.829 606 C N 3.322 122.685 119.300 0.105 0.000 2.561 606 C HA 0.447 4.908 4.460 0.002 0.000 0.319 606 C C 0.223 175.266 174.990 0.087 0.000 1.198 606 C CA -0.252 58.830 59.018 0.106 0.000 1.665 606 C CB 1.600 29.424 27.740 0.140 0.000 2.258 606 C HN 0.468 nan 8.230 nan 0.000 0.493 607 Q N 2.128 121.978 119.800 0.084 0.000 2.368 607 Q HA 0.322 4.662 4.340 0.002 0.000 0.256 607 Q C -0.542 175.526 176.000 0.114 0.000 0.980 607 Q CA 0.314 56.170 55.803 0.089 0.000 0.887 607 Q CB 0.539 29.326 28.738 0.082 0.000 1.221 607 Q HN 0.646 nan 8.270 nan 0.000 0.458 608 Q N 2.208 122.104 119.800 0.161 0.000 2.230 608 Q HA 0.312 4.653 4.340 0.002 0.000 0.248 608 Q C -0.122 176.162 176.000 0.473 0.000 0.915 608 Q CA -0.195 55.790 55.803 0.304 0.000 0.900 608 Q CB 1.805 30.799 28.738 0.427 0.000 1.229 608 Q HN 0.683 nan 8.270 nan 0.000 0.439 609 T N -0.815 113.891 114.554 0.252 0.000 2.964 609 T HA 0.111 4.462 4.350 0.002 0.000 0.249 609 T C 0.300 174.598 174.700 -0.669 0.000 1.000 609 T CA 0.287 62.398 62.100 0.018 0.000 0.992 609 T CB 0.492 69.332 68.868 -0.046 0.000 1.087 609 T HN 0.700 nan 8.240 nan 0.000 0.489 610 S N 0.137 115.433 115.700 -0.674 0.000 2.672 610 S HA 0.486 4.957 4.470 0.002 0.000 0.271 610 S C 0.074 174.492 174.600 -0.304 0.000 1.171 610 S CA -0.792 56.844 58.200 -0.939 0.000 0.817 610 S CB 1.098 64.017 63.200 -0.468 0.000 1.150 610 S HN -0.062 nan 8.310 nan 0.000 0.478 611 L N 1.412 122.538 121.223 -0.162 0.000 2.447 611 L HA 0.094 4.435 4.340 0.002 0.000 0.225 611 L C 0.630 177.528 176.870 0.046 0.000 1.148 611 L CA 2.140 57.008 54.840 0.047 0.000 0.808 611 L CB -1.033 41.052 42.059 0.044 0.000 0.928 611 L HN 0.880 nan 8.230 nan 0.000 0.448 612 D N -1.724 118.677 120.400 0.001 0.000 2.650 612 D HA 0.378 5.019 4.640 0.002 0.000 0.265 612 D C 0.002 176.314 176.300 0.020 0.000 1.339 612 D CA 0.266 54.283 54.000 0.029 0.000 0.816 612 D CB -0.029 40.782 40.800 0.018 0.000 1.091 612 D HN 0.131 nan 8.370 nan 0.000 0.483 613 A N 0.030 122.863 122.820 0.022 0.000 2.411 613 A HA 0.731 5.052 4.320 0.002 0.000 0.285 613 A C -0.132 177.484 177.584 0.054 0.000 1.129 613 A CA -0.417 51.632 52.037 0.018 0.000 0.736 613 A CB 1.385 20.375 19.000 -0.016 0.000 1.186 613 A HN 0.250 nan 8.150 nan 0.000 0.445 614 G N 2.185 111.013 108.800 0.046 0.000 2.702 614 G HA2 0.535 4.496 3.960 0.002 0.000 0.295 614 G HA3 0.535 4.496 3.960 0.002 0.000 0.295 614 G C -0.815 174.104 174.900 0.031 0.000 1.446 614 G CA -0.317 44.818 45.100 0.059 0.000 0.983 614 G HN 0.478 nan 8.290 nan 0.000 0.520 615 I N 3.611 124.205 120.570 0.040 0.000 2.291 615 I HA 0.131 4.302 4.170 0.002 0.000 0.290 615 I C 0.324 176.455 176.117 0.023 0.000 1.050 615 I CA -0.982 60.331 61.300 0.022 0.000 1.245 615 I CB 1.251 39.264 38.000 0.021 0.000 1.405 615 I HN 0.355 nan 8.210 nan 0.000 0.478 616 L N 8.313 129.531 121.223 -0.008 0.000 2.791 616 L HA 0.012 4.353 4.340 0.002 0.000 0.276 616 L C 1.141 177.973 176.870 -0.063 0.000 1.136 616 L CA 0.935 55.743 54.840 -0.054 0.000 1.008 616 L CB -0.151 41.775 42.059 -0.222 0.000 1.348 616 L HN 0.507 nan 8.230 nan 0.000 0.476 617 I N 2.415 122.978 120.570 -0.011 0.000 2.179 617 I HA -0.125 4.046 4.170 0.002 0.000 0.242 617 I C 1.128 177.237 176.117 -0.013 0.000 1.088 617 I CA 1.490 62.795 61.300 0.008 0.000 1.357 617 I CB -0.218 37.808 38.000 0.043 0.000 1.051 617 I HN 0.779 nan 8.210 nan 0.000 0.409 618 T N -2.228 112.307 114.554 -0.031 0.000 2.786 618 T HA 0.273 4.624 4.350 0.002 0.000 0.316 618 T C -2.165 172.542 174.700 0.012 0.000 1.503 618 T CA -0.675 61.422 62.100 -0.005 0.000 1.019 618 T CB 0.624 69.544 68.868 0.087 0.000 1.415 618 T HN 0.117 nan 8.240 nan 0.000 0.496 619 W N 1.583 122.928 121.300 0.076 0.000 2.359 619 W HA 0.602 5.263 4.660 0.002 0.000 0.344 619 W C 0.726 177.350 176.519 0.175 0.000 1.170 619 W CA -0.229 57.147 57.345 0.052 0.000 1.296 619 W CB 1.636 31.112 29.460 0.027 0.000 1.197 619 W HN 0.889 nan 8.180 nan 0.000 0.618 620 T N -1.369 113.574 114.554 0.649 0.000 2.787 620 T HA 0.581 4.932 4.350 0.002 0.000 0.297 620 T C -0.330 174.664 174.700 0.490 0.000 1.221 620 T CA -0.936 61.450 62.100 0.477 0.000 1.006 620 T CB 2.232 71.331 68.868 0.385 0.000 1.328 620 T HN 0.636 nan 8.240 nan 0.000 0.509 621 K N -0.476 120.150 120.400 0.378 0.000 1.909 621 K HA -0.202 4.119 4.320 0.002 0.000 0.242 621 K C 1.200 177.962 176.600 0.270 0.000 1.617 621 K CA 1.155 57.633 56.287 0.318 0.000 0.522 621 K CB -1.825 30.833 32.500 0.263 0.000 0.770 621 K HN 1.013 nan 8.250 nan 0.000 0.792 622 G N 0.203 109.146 108.800 0.238 0.000 3.088 622 G HA2 0.273 4.234 3.960 0.002 0.000 0.217 622 G HA3 0.273 4.234 3.960 0.002 0.000 0.217 622 G C -0.183 174.710 174.900 -0.012 0.000 1.159 622 G CA -0.261 44.898 45.100 0.099 0.000 0.760 622 G HN 0.156 nan 8.290 nan 0.000 0.550 623 F N 0.273 120.133 119.950 -0.150 0.000 2.429 623 F HA 0.505 5.033 4.527 0.002 0.000 0.348 623 F C 1.105 176.417 175.800 -0.814 0.000 1.109 623 F CA -0.078 57.578 58.000 -0.573 0.000 1.232 623 F CB 1.742 40.211 39.000 -0.885 0.000 1.157 623 F HN -0.075 nan 8.300 nan 0.000 0.564 624 K N 1.992 121.869 120.400 -0.872 0.000 3.017 624 K HA 0.441 4.762 4.320 0.002 0.000 0.178 624 K C -0.631 175.712 176.600 -0.430 0.000 1.103 624 K CA -0.172 55.729 56.287 -0.643 0.000 1.084 624 K CB 0.313 32.667 32.500 -0.242 0.000 0.711 624 K HN 0.655 nan 8.250 nan 0.000 0.416 625 A N 0.797 123.308 122.820 -0.515 0.000 2.483 625 A HA 0.246 4.567 4.320 0.002 0.000 0.238 625 A C 0.474 178.212 177.584 0.256 0.000 1.070 625 A CA 0.299 52.330 52.037 -0.011 0.000 0.770 625 A CB 0.028 19.121 19.000 0.155 0.000 1.008 625 A HN 0.422 nan 8.150 nan 0.000 0.497 626 T N -0.515 114.135 114.554 0.159 0.000 2.899 626 T HA 0.480 4.831 4.350 0.002 0.000 0.284 626 T C -0.213 174.554 174.700 0.112 0.000 1.004 626 T CA 0.032 62.219 62.100 0.145 0.000 1.043 626 T CB 0.850 69.766 68.868 0.080 0.000 1.013 626 T HN 0.698 nan 8.240 nan 0.000 0.518 627 D N -0.046 120.387 120.400 0.055 0.000 2.723 627 D HA -0.151 4.490 4.640 0.002 0.000 0.236 627 D C 0.463 176.545 176.300 -0.364 0.000 1.138 627 D CA 0.455 54.397 54.000 -0.097 0.000 0.676 627 D CB -1.509 39.252 40.800 -0.065 0.000 1.069 627 D HN 0.692 nan 8.370 nan 0.000 0.430 628 C N -1.057 118.141 119.300 -0.169 0.000 2.544 628 C HA 0.080 4.541 4.460 0.002 0.000 0.475 628 C C 1.130 176.009 174.990 -0.185 0.000 1.360 628 C CA -0.086 58.813 59.018 -0.198 0.000 2.555 628 C CB 0.245 28.093 27.740 0.179 0.000 3.012 628 C HN 0.281 nan 8.230 nan 0.000 0.552 629 V N 2.416 122.256 119.914 -0.124 0.000 2.617 629 V HA 0.388 4.508 4.120 0.002 0.000 0.304 629 V C 1.407 177.560 176.094 0.097 0.000 1.040 629 V CA 2.224 64.463 62.300 -0.102 0.000 1.149 629 V CB 0.110 31.901 31.823 -0.053 0.000 0.914 629 V HN 0.891 nan 8.190 nan 0.000 0.487 630 G N 3.679 112.527 108.800 0.081 0.000 2.258 630 G HA2 -0.189 3.772 3.960 0.002 0.000 0.233 630 G HA3 -0.189 3.772 3.960 0.002 0.000 0.233 630 G C 0.048 175.006 174.900 0.096 0.000 1.006 630 G CA 0.169 45.332 45.100 0.105 0.000 0.620 630 G HN 0.780 nan 8.290 nan 0.000 0.511 631 H N 0.701 119.726 119.070 -0.075 0.000 2.500 631 H HA 0.621 5.178 4.556 0.002 0.000 0.351 631 H C -0.333 174.934 175.328 -0.102 0.000 1.281 631 H CA -0.437 55.557 56.048 -0.089 0.000 1.368 631 H CB 0.817 30.510 29.762 -0.115 0.000 1.616 631 H HN 0.145 nan 8.280 nan 0.000 0.591 632 D N 0.966 121.378 120.400 0.020 0.000 2.317 632 D HA 0.046 4.687 4.640 0.002 0.000 0.234 632 D C 1.248 177.495 176.300 -0.088 0.000 1.112 632 D CA -0.418 53.563 54.000 -0.031 0.000 0.840 632 D CB 1.153 41.931 40.800 -0.036 0.000 1.078 632 D HN 0.377 nan 8.370 nan 0.000 0.486 633 V N 2.642 122.487 119.914 -0.115 0.000 2.594 633 V HA -0.165 3.956 4.120 0.002 0.000 0.253 633 V C 1.898 177.952 176.094 -0.066 0.000 1.069 633 V CA 1.083 63.272 62.300 -0.184 0.000 1.082 633 V CB -0.760 30.847 31.823 -0.360 0.000 0.680 633 V HN 0.424 nan 8.190 nan 0.000 0.469 634 V N 1.181 121.093 119.914 -0.003 0.000 2.307 634 V HA -0.215 3.906 4.120 0.002 0.000 0.245 634 V C 2.790 178.847 176.094 -0.061 0.000 1.045 634 V CA 2.725 65.041 62.300 0.028 0.000 1.024 634 V CB -1.290 30.556 31.823 0.039 0.000 0.651 634 V HN 0.636 nan 8.190 nan 0.000 0.449 635 T N 0.603 115.107 114.554 -0.084 0.000 2.622 635 T HA -0.179 4.172 4.350 0.002 0.000 0.266 635 T C 1.965 176.556 174.700 -0.182 0.000 1.047 635 T CA 1.707 63.744 62.100 -0.104 0.000 1.159 635 T CB -0.441 68.377 68.868 -0.084 0.000 0.863 635 T HN 0.246 nan 8.240 nan 0.000 0.422 636 L N 0.244 121.288 121.223 -0.299 0.000 2.103 636 L HA -0.181 4.160 4.340 0.002 0.000 0.215 636 L C 2.473 178.997 176.870 -0.576 0.000 1.080 636 L CA 1.227 55.723 54.840 -0.574 0.000 0.764 636 L CB -0.508 40.898 42.059 -1.088 0.000 0.890 636 L HN 0.254 nan 8.230 nan 0.000 0.435 637 L N -0.632 120.363 121.223 -0.380 0.000 2.095 637 L HA -0.105 4.236 4.340 0.002 0.000 0.204 637 L C 2.628 179.446 176.870 -0.087 0.000 1.080 637 L CA 1.370 56.149 54.840 -0.102 0.000 0.759 637 L CB -0.389 41.615 42.059 -0.091 0.000 0.914 637 L HN -0.003 nan 8.230 nan 0.000 0.439 638 R N -0.061 120.379 120.500 -0.100 0.000 2.103 638 R HA -0.186 4.155 4.340 0.002 0.000 0.242 638 R C 1.913 178.164 176.300 -0.081 0.000 1.142 638 R CA 1.907 57.962 56.100 -0.075 0.000 0.960 638 R CB -0.457 29.805 30.300 -0.064 0.000 0.858 638 R HN 0.464 nan 8.270 nan 0.000 0.439 639 D N 0.146 120.489 120.400 -0.094 0.000 2.078 639 D HA -0.149 4.492 4.640 0.002 0.000 0.193 639 D C 1.819 178.078 176.300 -0.069 0.000 0.990 639 D CA 1.669 55.621 54.000 -0.081 0.000 0.827 639 D CB -0.536 40.212 40.800 -0.086 0.000 0.975 639 D HN 0.256 nan 8.370 nan 0.000 0.451 640 A N 0.796 123.585 122.820 -0.052 0.000 1.997 640 A HA -0.209 4.112 4.320 0.002 0.000 0.221 640 A C 2.394 179.944 177.584 -0.056 0.000 1.172 640 A CA 1.159 53.191 52.037 -0.009 0.000 0.645 640 A CB -0.810 18.238 19.000 0.080 0.000 0.813 640 A HN 0.249 nan 8.150 nan 0.000 0.454 641 I N -1.263 119.253 120.570 -0.091 0.000 2.202 641 I HA -0.217 3.954 4.170 0.002 0.000 0.242 641 I C 2.577 178.547 176.117 -0.245 0.000 1.091 641 I CA 1.590 62.768 61.300 -0.203 0.000 1.368 641 I CB -0.308 37.597 38.000 -0.157 0.000 1.058 641 I HN 0.337 nan 8.210 nan 0.000 0.410 642 K N 0.657 120.965 120.400 -0.153 0.000 2.097 642 K HA -0.166 4.155 4.320 0.002 0.000 0.206 642 K C 2.281 178.813 176.600 -0.115 0.000 1.049 642 K CA 1.218 57.428 56.287 -0.128 0.000 0.933 642 K CB 0.032 32.481 32.500 -0.086 0.000 0.717 642 K HN 0.202 nan 8.250 nan 0.000 0.442 643 R N -0.050 120.394 120.500 -0.095 0.000 2.073 643 R HA -0.093 4.248 4.340 0.002 0.000 0.234 643 R C 2.473 178.726 176.300 -0.078 0.000 1.134 643 R CA 1.329 57.389 56.100 -0.067 0.000 0.952 643 R CB -0.170 30.106 30.300 -0.040 0.000 0.850 643 R HN 0.114 nan 8.270 nan 0.000 0.433 644 R N 0.931 121.363 120.500 -0.113 0.000 2.073 644 R HA -0.140 4.201 4.340 0.002 0.000 0.234 644 R C 0.053 176.271 176.300 -0.137 0.000 1.134 644 R CA 1.552 57.583 56.100 -0.116 0.000 0.952 644 R CB 0.034 30.237 30.300 -0.161 0.000 0.850 644 R HN 0.292 nan 8.270 nan 0.000 0.433 645 E N -0.956 119.115 120.200 -0.216 0.000 2.416 645 E HA -0.241 4.110 4.350 0.002 0.000 0.249 645 E C 0.162 176.677 176.600 -0.142 0.000 1.124 645 E CA 0.685 56.982 56.400 -0.171 0.000 0.732 645 E CB -1.099 28.548 29.700 -0.089 0.000 1.286 645 E HN 0.535 nan 8.360 nan 0.000 0.394 646 E N -0.625 119.429 120.200 -0.244 0.000 2.447 646 E HA 0.134 4.485 4.350 0.002 0.000 0.204 646 E C 0.228 176.949 176.600 0.202 0.000 0.977 646 E CA 0.553 56.967 56.400 0.023 0.000 0.950 646 E CB 0.554 30.398 29.700 0.241 0.000 0.975 646 E HN 0.301 nan 8.360 nan 0.000 0.496 647 F N -1.989 117.966 119.950 0.008 0.000 3.122 647 F HA 0.550 5.078 4.527 0.002 0.000 0.325 647 F C -1.573 174.231 175.800 0.006 0.000 1.162 647 F CA -1.490 56.515 58.000 0.009 0.000 0.876 647 F CB 0.809 39.819 39.000 0.015 0.000 1.429 647 F HN -0.374 nan 8.300 nan 0.000 0.484 648 D N 0.554 121.089 120.400 0.225 0.000 2.934 648 D HA 0.735 5.376 4.640 0.002 0.000 0.230 648 D C -1.484 174.920 176.300 0.173 0.000 1.204 648 D CA -0.091 53.970 54.000 0.101 0.000 0.873 648 D CB 2.326 43.154 40.800 0.047 0.000 1.645 648 D HN 0.738 nan 8.370 nan 0.000 0.502 649 L N 1.395 122.699 121.223 0.134 0.000 2.309 649 L HA 0.521 4.862 4.340 0.002 0.000 0.261 649 L C -0.713 176.201 176.870 0.075 0.000 1.021 649 L CA -0.923 53.994 54.840 0.129 0.000 0.823 649 L CB 2.100 44.259 42.059 0.168 0.000 1.366 649 L HN 0.278 nan 8.230 nan 0.000 0.423 650 D N 1.006 121.451 120.400 0.075 0.000 2.483 650 D HA 0.213 4.854 4.640 0.002 0.000 0.281 650 D C -0.713 175.633 176.300 0.076 0.000 1.174 650 D CA -0.310 53.728 54.000 0.063 0.000 0.938 650 D CB 0.985 41.822 40.800 0.061 0.000 1.002 650 D HN 0.037 nan 8.370 nan 0.000 0.501 651 V N 3.719 123.670 119.914 0.062 0.000 2.415 651 V HA -0.037 4.084 4.120 0.002 0.000 0.252 651 V C 1.753 177.895 176.094 0.079 0.000 1.043 651 V CA 0.108 62.451 62.300 0.072 0.000 1.149 651 V CB 0.496 32.348 31.823 0.048 0.000 1.143 651 V HN 0.323 nan 8.190 nan 0.000 0.478 652 V N 3.641 123.615 119.914 0.102 0.000 2.951 652 V HA 0.273 4.394 4.120 0.002 0.000 0.255 652 V C 1.004 177.151 176.094 0.087 0.000 1.088 652 V CA 1.433 63.789 62.300 0.093 0.000 1.109 652 V CB -0.202 31.694 31.823 0.122 0.000 0.724 652 V HN 0.921 nan 8.190 nan 0.000 0.471 653 A N -1.008 121.878 122.820 0.111 0.000 2.612 653 A HA 0.715 5.036 4.320 0.002 0.000 0.293 653 A C -1.604 176.078 177.584 0.163 0.000 1.075 653 A CA -0.302 51.802 52.037 0.112 0.000 0.680 653 A CB 2.019 21.069 19.000 0.084 0.000 1.279 653 A HN 0.053 nan 8.150 nan 0.000 0.411 654 V N 1.210 121.211 119.914 0.145 0.000 2.540 654 V HA 0.786 4.907 4.120 0.002 0.000 0.302 654 V C -1.272 174.880 176.094 0.096 0.000 1.035 654 V CA -0.344 62.047 62.300 0.152 0.000 0.873 654 V CB 1.554 33.460 31.823 0.138 0.000 0.992 654 V HN 1.072 nan 8.190 nan 0.000 0.428 655 V N 6.167 126.119 119.914 0.063 0.000 2.841 655 V HA 0.506 4.627 4.120 0.002 0.000 0.310 655 V C -0.273 175.816 176.094 -0.008 0.000 1.090 655 V CA -0.902 61.415 62.300 0.029 0.000 0.930 655 V CB 2.213 34.050 31.823 0.023 0.000 1.014 655 V HN 0.923 nan 8.190 nan 0.000 0.425 656 N N 2.342 121.025 118.700 -0.028 0.000 2.499 656 N HA 0.074 4.815 4.740 0.002 0.000 0.281 656 N C 0.664 176.122 175.510 -0.087 0.000 1.098 656 N CA -0.226 52.781 53.050 -0.072 0.000 0.979 656 N CB 1.893 40.336 38.487 -0.073 0.000 1.121 656 N HN 0.882 nan 8.380 nan 0.000 0.466 657 D N 1.988 122.317 120.400 -0.119 0.000 2.203 657 D HA -0.239 4.402 4.640 0.002 0.000 0.199 657 D C 1.563 177.807 176.300 -0.095 0.000 0.997 657 D CA 2.109 56.047 54.000 -0.103 0.000 0.863 657 D CB -0.807 39.917 40.800 -0.127 0.000 0.928 657 D HN 0.699 nan 8.370 nan 0.000 0.458 658 T N -1.704 112.785 114.554 -0.109 0.000 2.821 658 T HA -0.067 4.284 4.350 0.002 0.000 0.267 658 T C 2.159 176.804 174.700 -0.091 0.000 1.046 658 T CA 1.138 63.172 62.100 -0.111 0.000 1.139 658 T CB -0.765 68.017 68.868 -0.144 0.000 0.871 658 T HN 0.112 nan 8.240 nan 0.000 0.454 659 V N 1.725 121.590 119.914 -0.081 0.000 2.488 659 V HA 0.122 4.243 4.120 0.002 0.000 0.246 659 V C 3.071 179.134 176.094 -0.052 0.000 1.046 659 V CA 1.488 63.748 62.300 -0.066 0.000 1.053 659 V CB -1.336 30.451 31.823 -0.059 0.000 0.679 659 V HN 0.662 nan 8.190 nan 0.000 0.458 660 G N -0.270 108.500 108.800 -0.050 0.000 2.418 660 G HA2 -0.233 3.728 3.960 0.002 0.000 0.217 660 G HA3 -0.233 3.728 3.960 0.002 0.000 0.217 660 G C 1.710 176.584 174.900 -0.043 0.000 1.158 660 G CA 1.548 46.623 45.100 -0.042 0.000 0.771 660 G HN 0.436 nan 8.290 nan 0.000 0.545 661 T N 0.871 115.395 114.554 -0.049 0.000 2.684 661 T HA -0.157 4.194 4.350 0.002 0.000 0.267 661 T C 2.268 176.946 174.700 -0.036 0.000 1.036 661 T CA 1.425 63.498 62.100 -0.045 0.000 1.148 661 T CB -0.247 68.587 68.868 -0.058 0.000 0.863 661 T HN 0.225 nan 8.240 nan 0.000 0.436 662 M N 0.352 119.926 119.600 -0.043 0.000 2.082 662 M HA -0.146 4.335 4.480 0.002 0.000 0.258 662 M C 2.027 178.318 176.300 -0.016 0.000 1.069 662 M CA 1.720 56.999 55.300 -0.035 0.000 1.102 662 M CB -0.217 32.357 32.600 -0.043 0.000 1.336 662 M HN 0.185 nan 8.290 nan 0.000 0.404 663 M N -0.773 118.818 119.600 -0.015 0.000 2.132 663 M HA -0.133 4.348 4.480 0.002 0.000 0.263 663 M C 2.074 178.393 176.300 0.031 0.000 1.065 663 M CA 1.702 57.005 55.300 0.005 0.000 1.122 663 M CB -1.777 30.816 32.600 -0.011 0.000 1.365 663 M HN 0.288 nan 8.290 nan 0.000 0.411 664 T N 0.634 115.190 114.554 0.002 0.000 2.684 664 T HA -0.174 4.177 4.350 0.002 0.000 0.267 664 T C 2.004 176.739 174.700 0.057 0.000 1.036 664 T CA 1.689 63.788 62.100 -0.001 0.000 1.148 664 T CB -0.425 68.427 68.868 -0.027 0.000 0.863 664 T HN 0.436 nan 8.240 nan 0.000 0.436 665 C N 1.361 120.684 119.300 0.039 0.000 2.464 665 C HA 0.321 4.782 4.460 0.002 0.000 0.278 665 C C 3.091 178.114 174.990 0.055 0.000 1.375 665 C CA -0.031 59.015 59.018 0.046 0.000 1.761 665 C CB -1.308 26.440 27.740 0.014 0.000 1.944 665 C HN 0.638 nan 8.230 nan 0.000 0.509 666 A N -1.095 121.754 122.820 0.050 0.000 2.167 666 A HA -0.072 4.249 4.320 0.002 0.000 0.214 666 A C 1.772 179.390 177.584 0.056 0.000 1.151 666 A CA 0.576 52.632 52.037 0.031 0.000 0.735 666 A CB -0.765 18.242 19.000 0.012 0.000 0.802 666 A HN 0.687 nan 8.150 nan 0.000 0.467 667 Y N 0.272 120.559 120.300 -0.022 0.000 2.274 667 Y HA -0.139 4.412 4.550 0.002 0.000 0.290 667 Y C 2.066 177.960 175.900 -0.011 0.000 1.145 667 Y CA 2.125 60.215 58.100 -0.017 0.000 1.203 667 Y CB 0.241 38.691 38.460 -0.016 0.000 0.984 667 Y HN 0.298 nan 8.280 nan 0.000 0.533 668 E N -0.206 120.022 120.200 0.046 0.000 2.256 668 E HA 0.009 4.360 4.350 0.002 0.000 0.198 668 E C -0.010 176.566 176.600 -0.040 0.000 0.908 668 E CA 0.370 56.752 56.400 -0.029 0.000 0.915 668 E CB 0.116 29.868 29.700 0.085 0.000 0.890 668 E HN 0.220 nan 8.360 nan 0.000 0.484 669 E N 2.348 122.542 120.200 -0.010 0.000 2.063 669 E HA 0.135 4.486 4.350 0.002 0.000 0.265 669 E C -2.028 174.554 176.600 -0.030 0.000 0.919 669 E CA -2.603 53.785 56.400 -0.021 0.000 0.756 669 E CB 1.280 30.973 29.700 -0.012 0.000 1.120 669 E HN -0.162 nan 8.360 nan 0.000 0.414 670 P HA -0.119 nan 4.420 nan 0.000 0.226 670 P C 0.520 177.799 177.300 -0.035 0.000 1.146 670 P CA 1.014 64.089 63.100 -0.041 0.000 0.773 670 P CB 0.113 31.785 31.700 -0.046 0.000 0.772 671 T N -4.650 109.881 114.554 -0.037 0.000 3.086 671 T HA 0.081 4.432 4.350 0.002 0.000 0.250 671 T C 0.788 175.459 174.700 -0.049 0.000 1.074 671 T CA -0.371 61.705 62.100 -0.041 0.000 0.988 671 T CB -1.345 67.496 68.868 -0.044 0.000 0.988 671 T HN 0.046 nan 8.240 nan 0.000 0.530 672 C N 2.750 122.024 119.300 -0.043 0.000 2.492 672 C HA 0.368 4.829 4.460 0.002 0.000 0.362 672 C C 1.050 176.017 174.990 -0.039 0.000 1.207 672 C CA -0.287 58.702 59.018 -0.048 0.000 1.626 672 C CB -1.542 26.178 27.740 -0.033 0.000 2.239 672 C HN 0.625 nan 8.230 nan 0.000 0.547 673 E N 2.965 123.140 120.200 -0.042 0.000 2.660 673 E HA 0.237 4.588 4.350 0.002 0.000 0.216 673 E C -0.628 175.970 176.600 -0.002 0.000 0.986 673 E CA 0.068 56.456 56.400 -0.021 0.000 1.037 673 E CB 1.096 30.790 29.700 -0.010 0.000 1.041 673 E HN 0.616 nan 8.360 nan 0.000 0.480 674 V N 0.096 119.992 119.914 -0.029 0.000 2.841 674 V HA 0.661 4.782 4.120 0.002 0.000 0.310 674 V C 0.145 176.206 176.094 -0.054 0.000 1.090 674 V CA -1.104 61.181 62.300 -0.025 0.000 0.930 674 V CB 1.964 33.755 31.823 -0.053 0.000 1.014 674 V HN 0.127 nan 8.190 nan 0.000 0.425 675 G N 2.214 110.975 108.800 -0.065 0.000 2.448 675 G HA2 0.779 4.740 3.960 0.002 0.000 0.324 675 G HA3 0.779 4.740 3.960 0.002 0.000 0.324 675 G C -1.791 173.037 174.900 -0.121 0.000 1.203 675 G CA -0.621 44.428 45.100 -0.084 0.000 0.954 675 G HN 0.742 nan 8.290 nan 0.000 0.480 676 L N 1.562 122.723 121.223 -0.103 0.000 2.472 676 L HA 0.737 5.078 4.340 0.002 0.000 0.260 676 L C -1.515 175.300 176.870 -0.092 0.000 0.963 676 L CA -0.773 54.002 54.840 -0.109 0.000 0.829 676 L CB 2.098 44.152 42.059 -0.008 0.000 1.348 676 L HN 0.395 nan 8.230 nan 0.000 0.408 677 I N 5.117 125.649 120.570 -0.063 0.000 2.533 677 I HA 0.521 4.692 4.170 0.002 0.000 0.290 677 I C -1.055 175.086 176.117 0.040 0.000 1.056 677 I CA -0.624 60.651 61.300 -0.041 0.000 1.057 677 I CB 2.208 40.172 38.000 -0.060 0.000 1.240 677 I HN 0.373 nan 8.210 nan 0.000 0.423 678 V N 5.467 125.391 119.914 0.018 0.000 2.558 678 V HA 0.598 4.719 4.120 0.002 0.000 0.261 678 V C 0.362 176.427 176.094 -0.047 0.000 0.958 678 V CA -0.207 62.106 62.300 0.021 0.000 0.852 678 V CB 0.993 32.838 31.823 0.037 0.000 1.067 678 V HN 1.025 nan 8.190 nan 0.000 0.468 679 G N 1.606 110.386 108.800 -0.033 0.000 3.324 679 G HA2 0.264 4.224 3.960 0.002 0.000 0.188 679 G HA3 0.264 4.224 3.960 0.002 0.000 0.188 679 G C 0.937 175.811 174.900 -0.043 0.000 1.384 679 G CA 0.809 45.880 45.100 -0.048 0.000 0.841 679 G HN 0.277 nan 8.290 nan 0.000 0.758 680 T N 0.641 115.171 114.554 -0.040 0.000 2.684 680 T HA 0.152 4.503 4.350 0.002 0.000 0.267 680 T C 1.169 175.868 174.700 -0.002 0.000 1.036 680 T CA 1.647 63.719 62.100 -0.046 0.000 1.148 680 T CB -0.487 68.359 68.868 -0.036 0.000 0.863 680 T HN 0.712 nan 8.240 nan 0.000 0.436 681 G N -0.453 108.365 108.800 0.031 0.000 2.714 681 G HA2 0.569 4.530 3.960 0.002 0.000 0.292 681 G HA3 0.569 4.530 3.960 0.002 0.000 0.292 681 G C -1.422 173.546 174.900 0.113 0.000 1.308 681 G CA -0.477 44.692 45.100 0.115 0.000 0.964 681 G HN 0.202 nan 8.290 nan 0.000 0.484 682 S N -0.449 115.372 115.700 0.202 0.000 2.557 682 S HA 0.685 5.156 4.470 0.002 0.000 0.291 682 S C -0.912 173.965 174.600 0.461 0.000 1.116 682 S CA -0.758 57.624 58.200 0.302 0.000 0.992 682 S CB 1.561 64.975 63.200 0.356 0.000 1.028 682 S HN 0.776 nan 8.310 nan 0.000 0.484 683 N N 1.628 120.458 118.700 0.216 0.000 2.825 683 N HA 0.831 5.572 4.740 0.002 0.000 0.253 683 N C -1.769 173.343 175.510 -0.663 0.000 1.426 683 N CA -0.170 52.764 53.050 -0.194 0.000 0.851 683 N CB 1.922 40.352 38.487 -0.095 0.000 1.470 683 N HN 0.869 nan 8.380 nan 0.000 0.517 684 A N -0.219 122.025 122.820 -0.961 0.000 2.594 684 A HA 0.738 5.059 4.320 0.002 0.000 0.295 684 A C -0.927 176.413 177.584 -0.408 0.000 1.071 684 A CA -0.449 51.107 52.037 -0.802 0.000 0.685 684 A CB 0.101 18.241 19.000 -1.432 0.000 1.285 684 A HN 1.251 nan 8.150 nan 0.000 0.405 685 C N -0.408 118.764 119.300 -0.213 0.000 3.171 685 C HA 1.056 5.517 4.460 0.002 0.000 0.308 685 C C -1.042 174.008 174.990 0.100 0.000 1.334 685 C CA -0.680 58.310 59.018 -0.047 0.000 1.473 685 C CB 0.791 28.472 27.740 -0.099 0.000 1.866 685 C HN 1.987 nan 8.230 nan 0.000 0.465 686 Y N -0.627 119.597 120.300 -0.128 0.000 2.764 686 Y HA 0.760 5.311 4.550 0.002 0.000 0.331 686 Y C -1.193 174.657 175.900 -0.084 0.000 1.280 686 Y CA -1.937 56.102 58.100 -0.102 0.000 1.065 686 Y CB 0.822 39.226 38.460 -0.094 0.000 1.319 686 Y HN 0.650 nan 8.280 nan 0.000 0.453 687 M N 2.758 122.279 119.600 -0.133 0.000 2.069 687 M HA 0.316 4.797 4.480 0.002 0.000 0.349 687 M C -0.697 175.463 176.300 -0.234 0.000 1.194 687 M CA -0.197 54.978 55.300 -0.208 0.000 1.081 687 M CB 0.588 33.143 32.600 -0.074 0.000 1.500 687 M HN 0.806 nan 8.290 nan 0.000 0.438 688 E N 2.554 122.514 120.200 -0.400 0.000 2.250 688 E HA 0.279 4.630 4.350 0.002 0.000 0.269 688 E C -0.645 175.880 176.600 -0.125 0.000 1.018 688 E CA -0.285 55.962 56.400 -0.253 0.000 0.873 688 E CB 0.986 30.472 29.700 -0.357 0.000 1.134 688 E HN 0.308 nan 8.360 nan 0.000 0.403 689 E N 3.693 123.859 120.200 -0.057 0.000 2.259 689 E HA 0.031 4.382 4.350 0.002 0.000 0.281 689 E C 0.836 177.405 176.600 -0.051 0.000 1.037 689 E CA -0.272 56.103 56.400 -0.041 0.000 0.854 689 E CB 0.666 30.357 29.700 -0.014 0.000 1.051 689 E HN 0.613 nan 8.360 nan 0.000 0.409 690 M N 2.608 122.177 119.600 -0.051 0.000 2.255 690 M HA -0.227 4.254 4.480 0.002 0.000 0.259 690 M C 1.611 177.889 176.300 -0.036 0.000 1.071 690 M CA 1.659 56.929 55.300 -0.049 0.000 1.074 690 M CB -0.610 31.970 32.600 -0.033 0.000 1.384 690 M HN 0.452 nan 8.290 nan 0.000 0.415 691 K N -1.683 118.701 120.400 -0.026 0.000 2.432 691 K HA -0.067 4.254 4.320 0.002 0.000 0.196 691 K C 1.042 177.631 176.600 -0.017 0.000 1.038 691 K CA 0.910 57.187 56.287 -0.018 0.000 0.986 691 K CB -0.171 32.322 32.500 -0.011 0.000 0.782 691 K HN 0.325 nan 8.250 nan 0.000 0.485 692 N N 1.009 119.695 118.700 -0.022 0.000 2.388 692 N HA 0.010 4.751 4.740 0.002 0.000 0.176 692 N C 0.122 175.615 175.510 -0.029 0.000 1.062 692 N CA 0.322 53.362 53.050 -0.016 0.000 0.895 692 N CB 0.647 39.132 38.487 -0.003 0.000 1.018 692 N HN -0.043 nan 8.380 nan 0.000 0.456 693 V N 3.089 122.972 119.914 -0.053 0.000 1.973 693 V HA 0.036 4.157 4.120 0.002 0.000 0.255 693 V C 1.213 177.267 176.094 -0.068 0.000 1.605 693 V CA 0.178 62.431 62.300 -0.078 0.000 1.542 693 V CB -0.890 30.863 31.823 -0.116 0.000 1.504 693 V HN 0.149 nan 8.190 nan 0.000 0.505 694 E N 1.531 121.702 120.200 -0.049 0.000 2.394 694 E HA -0.213 4.138 4.350 0.002 0.000 0.202 694 E C 1.613 178.176 176.600 -0.061 0.000 1.029 694 E CA 0.872 57.247 56.400 -0.041 0.000 0.855 694 E CB 0.033 29.720 29.700 -0.023 0.000 0.770 694 E HN 0.574 nan 8.360 nan 0.000 0.527 695 M N -0.031 119.508 119.600 -0.102 0.000 2.509 695 M HA 0.066 4.547 4.480 0.002 0.000 0.250 695 M C 0.268 176.520 176.300 -0.081 0.000 1.132 695 M CA 0.457 55.677 55.300 -0.134 0.000 1.080 695 M CB 0.580 33.022 32.600 -0.264 0.000 1.408 695 M HN -0.222 nan 8.290 nan 0.000 0.484 696 V N 1.366 121.242 119.914 -0.064 0.000 2.443 696 V HA 0.236 4.357 4.120 0.002 0.000 0.293 696 V C 0.215 176.312 176.094 0.005 0.000 1.021 696 V CA -1.319 60.977 62.300 -0.006 0.000 0.848 696 V CB 1.875 33.683 31.823 -0.025 0.000 0.998 696 V HN 0.162 nan 8.190 nan 0.000 0.424 697 E N 3.377 123.592 120.200 0.024 0.000 2.652 697 E HA 0.352 4.703 4.350 0.002 0.000 0.255 697 E C 0.694 177.303 176.600 0.015 0.000 0.952 697 E CA 1.282 57.692 56.400 0.016 0.000 0.947 697 E CB 0.617 30.328 29.700 0.019 0.000 0.912 697 E HN 1.131 nan 8.360 nan 0.000 0.489 698 G N 2.974 111.776 108.800 0.004 0.000 2.392 698 G HA2 -0.054 3.907 3.960 0.002 0.000 0.677 698 G HA3 -0.054 3.907 3.960 0.002 0.000 0.677 698 G C -0.808 174.088 174.900 -0.006 0.000 1.334 698 G CA -0.184 44.917 45.100 0.002 0.000 0.961 698 G HN 0.574 nan 8.290 nan 0.000 0.616 699 D N -1.061 119.336 120.400 -0.006 0.000 2.969 699 D HA 0.110 4.751 4.640 0.002 0.000 0.317 699 D C -0.130 176.164 176.300 -0.009 0.000 1.650 699 D CA -0.116 53.878 54.000 -0.010 0.000 0.789 699 D CB -0.213 40.582 40.800 -0.009 0.000 1.277 699 D HN 0.606 nan 8.370 nan 0.000 0.463 700 Q N 0.922 120.718 119.800 -0.008 0.000 2.341 700 Q HA 0.568 4.909 4.340 0.002 0.000 0.268 700 Q C 0.547 176.542 176.000 -0.009 0.000 1.013 700 Q CA -0.386 55.413 55.803 -0.006 0.000 0.798 700 Q CB 2.443 31.180 28.738 -0.002 0.000 1.253 700 Q HN 0.364 nan 8.270 nan 0.000 0.457 701 G N 2.560 111.353 108.800 -0.012 0.000 2.584 701 G HA2 -0.248 3.713 3.960 0.002 0.000 0.229 701 G HA3 -0.248 3.713 3.960 0.002 0.000 0.229 701 G C -0.800 174.084 174.900 -0.027 0.000 1.320 701 G CA -0.537 44.553 45.100 -0.016 0.000 0.891 701 G HN 0.582 nan 8.290 nan 0.000 0.573 702 Q N -1.449 118.330 119.800 -0.035 0.000 2.605 702 Q HA 0.797 5.138 4.340 0.002 0.000 0.296 702 Q C -0.384 175.572 176.000 -0.075 0.000 1.056 702 Q CA -0.961 54.807 55.803 -0.059 0.000 0.778 702 Q CB 2.361 31.062 28.738 -0.061 0.000 1.497 702 Q HN 1.030 nan 8.270 nan 0.000 0.443 703 M N 0.295 119.822 119.600 -0.121 0.000 2.433 703 M HA 0.455 4.936 4.480 0.002 0.000 0.290 703 M C -1.930 174.242 176.300 -0.213 0.000 1.173 703 M CA -0.422 54.788 55.300 -0.151 0.000 0.905 703 M CB 2.312 34.806 32.600 -0.178 0.000 1.692 703 M HN 0.831 nan 8.290 nan 0.000 0.462 704 C N 5.936 125.120 119.300 -0.194 0.000 2.464 704 C HA 0.551 5.012 4.460 0.002 0.000 0.370 704 C C -0.417 174.414 174.990 -0.265 0.000 1.267 704 C CA -0.541 58.346 59.018 -0.219 0.000 1.781 704 C CB -1.101 26.555 27.740 -0.141 0.000 2.431 704 C HN 0.669 nan 8.230 nan 0.000 0.556 705 I N 6.646 127.000 120.570 -0.360 0.000 2.312 705 I HA 0.199 4.370 4.170 0.002 0.000 0.290 705 I C 0.296 176.300 176.117 -0.189 0.000 1.008 705 I CA 0.058 61.170 61.300 -0.312 0.000 1.226 705 I CB 0.866 38.608 38.000 -0.430 0.000 1.371 705 I HN 0.698 nan 8.210 nan 0.000 0.468 706 N N 7.309 125.934 118.700 -0.126 0.000 2.482 706 N HA 0.169 4.910 4.740 0.002 0.000 0.242 706 N C 0.909 176.397 175.510 -0.037 0.000 1.100 706 N CA -0.104 52.896 53.050 -0.082 0.000 0.946 706 N CB 0.606 39.052 38.487 -0.068 0.000 1.227 706 N HN 0.500 nan 8.380 nan 0.000 0.508 707 M N 1.064 120.653 119.600 -0.018 0.000 2.106 707 M HA -0.106 4.375 4.480 0.002 0.000 0.259 707 M C 0.028 176.374 176.300 0.076 0.000 1.068 707 M CA 1.125 56.453 55.300 0.047 0.000 1.100 707 M CB -0.293 32.344 32.600 0.061 0.000 1.351 707 M HN 0.381 nan 8.290 nan 0.000 0.404 708 E N -0.071 120.158 120.200 0.047 0.000 2.320 708 E HA -0.201 4.150 4.350 0.002 0.000 0.234 708 E C 0.065 176.827 176.600 0.269 0.000 1.183 708 E CA 0.794 57.267 56.400 0.123 0.000 0.713 708 E CB -1.666 28.096 29.700 0.104 0.000 1.226 708 E HN 0.841 nan 8.360 nan 0.000 0.382 709 W N -0.686 120.677 121.300 0.105 0.000 2.961 709 W HA 0.296 4.957 4.660 0.002 0.000 0.240 709 W C 1.373 178.052 176.519 0.267 0.000 1.305 709 W CA 0.435 57.856 57.345 0.125 0.000 1.465 709 W CB -1.238 28.272 29.460 0.083 0.000 1.135 709 W HN 0.134 nan 8.180 nan 0.000 0.688 710 G N 1.227 110.432 108.800 0.675 0.000 2.443 710 G HA2 -0.078 3.883 3.960 0.002 0.000 0.219 710 G HA3 -0.078 3.883 3.960 0.002 0.000 0.219 710 G C 1.671 176.766 174.900 0.325 0.000 1.131 710 G CA 1.226 46.614 45.100 0.480 0.000 0.775 710 G HN 0.411 nan 8.290 nan 0.000 0.547 711 A N 0.030 123.015 122.820 0.274 0.000 2.235 711 A HA 0.360 4.681 4.320 0.002 0.000 0.208 711 A C 0.807 178.499 177.584 0.181 0.000 1.172 711 A CA -0.528 51.619 52.037 0.183 0.000 0.786 711 A CB -0.413 18.675 19.000 0.146 0.000 0.804 711 A HN 0.277 nan 8.150 nan 0.000 0.479 712 F N 1.178 121.137 119.950 0.015 0.000 2.623 712 F HA 0.352 4.880 4.527 0.002 0.000 0.383 712 F C 1.346 177.092 175.800 -0.090 0.000 1.077 712 F CA 0.868 58.791 58.000 -0.128 0.000 1.268 712 F CB -0.097 38.632 39.000 -0.453 0.000 1.053 712 F HN 0.396 nan 8.300 nan 0.000 0.571 713 G N 4.259 112.804 108.800 -0.425 0.000 2.175 713 G HA2 -0.298 3.663 3.960 0.002 0.000 0.244 713 G HA3 -0.298 3.663 3.960 0.002 0.000 0.244 713 G C 0.765 175.552 174.900 -0.188 0.000 0.982 713 G CA 0.267 45.089 45.100 -0.463 0.000 0.641 713 G HN 0.608 nan 8.290 nan 0.000 0.527 714 D N 0.834 121.185 120.400 -0.082 0.000 2.378 714 D HA 0.036 4.677 4.640 0.002 0.000 0.227 714 D C 1.910 178.186 176.300 -0.041 0.000 1.012 714 D CA 1.231 55.206 54.000 -0.042 0.000 0.905 714 D CB -0.075 40.728 40.800 0.004 0.000 0.895 714 D HN 0.738 nan 8.370 nan 0.000 0.532 715 N N -1.408 117.260 118.700 -0.053 0.000 2.187 715 N HA 0.159 4.900 4.740 0.002 0.000 0.212 715 N C 1.305 176.780 175.510 -0.059 0.000 1.152 715 N CA 0.466 53.492 53.050 -0.040 0.000 0.872 715 N CB 0.781 39.257 38.487 -0.019 0.000 1.025 715 N HN 0.031 nan 8.380 nan 0.000 0.514 716 G N 0.237 108.982 108.800 -0.091 0.000 2.232 716 G HA2 -0.363 3.598 3.960 0.002 0.000 0.226 716 G HA3 -0.363 3.598 3.960 0.002 0.000 0.226 716 G C 1.269 176.093 174.900 -0.126 0.000 0.996 716 G CA 0.076 45.117 45.100 -0.098 0.000 0.626 716 G HN 0.744 nan 8.290 nan 0.000 0.509 717 C N 0.327 119.541 119.300 -0.144 0.000 2.399 717 C HA 0.311 4.772 4.460 0.002 0.000 0.296 717 C C 2.282 177.134 174.990 -0.230 0.000 1.415 717 C CA 1.206 60.130 59.018 -0.156 0.000 1.798 717 C CB -1.316 26.357 27.740 -0.113 0.000 1.802 717 C HN 0.448 nan 8.230 nan 0.000 0.549 718 L N -0.032 121.018 121.223 -0.288 0.000 2.731 718 L HA 0.160 4.501 4.340 0.002 0.000 0.240 718 L C 1.553 178.321 176.870 -0.170 0.000 1.120 718 L CA 0.223 54.902 54.840 -0.269 0.000 0.913 718 L CB -0.428 41.409 42.059 -0.369 0.000 1.213 718 L HN 0.101 nan 8.230 nan 0.000 0.515 719 D N 0.732 121.046 120.400 -0.144 0.000 2.393 719 D HA -0.211 4.430 4.640 0.002 0.000 0.220 719 D C 1.527 177.765 176.300 -0.103 0.000 0.974 719 D CA 0.999 54.931 54.000 -0.115 0.000 0.931 719 D CB 0.089 40.831 40.800 -0.097 0.000 0.889 719 D HN 0.240 nan 8.370 nan 0.000 0.512 720 D N 0.056 120.396 120.400 -0.100 0.000 2.117 720 D HA -0.093 4.548 4.640 0.002 0.000 0.198 720 D C 1.878 178.130 176.300 -0.081 0.000 0.982 720 D CA 0.658 54.611 54.000 -0.079 0.000 0.828 720 D CB 0.150 40.909 40.800 -0.068 0.000 0.967 720 D HN 0.361 nan 8.370 nan 0.000 0.464 721 I N -2.649 117.866 120.570 -0.093 0.000 4.082 721 I HA 0.296 4.467 4.170 0.002 0.000 0.337 721 I C 0.072 176.109 176.117 -0.133 0.000 1.352 721 I CA -0.318 60.925 61.300 -0.095 0.000 1.097 721 I CB 0.143 38.101 38.000 -0.071 0.000 1.048 721 I HN -0.274 nan 8.210 nan 0.000 0.393 722 R N 2.395 122.814 120.500 -0.135 0.000 2.582 722 R HA 0.352 4.693 4.340 0.002 0.000 0.271 722 R C 0.459 176.651 176.300 -0.179 0.000 1.078 722 R CA 0.455 56.468 56.100 -0.146 0.000 1.127 722 R CB 1.050 31.277 30.300 -0.122 0.000 1.038 722 R HN 0.418 nan 8.270 nan 0.000 0.500 723 T N -2.609 111.829 114.554 -0.194 0.000 2.927 723 T HA 0.080 4.431 4.350 0.002 0.000 0.286 723 T C 1.038 175.653 174.700 -0.141 0.000 1.040 723 T CA -0.685 61.293 62.100 -0.204 0.000 1.010 723 T CB 1.236 69.947 68.868 -0.261 0.000 1.177 723 T HN 0.761 nan 8.240 nan 0.000 0.546 724 H N -0.002 118.874 119.070 -0.324 0.000 2.390 724 H HA -0.106 4.451 4.556 0.002 0.000 0.298 724 H C 1.208 176.330 175.328 -0.343 0.000 1.106 724 H CA 2.073 57.883 56.048 -0.397 0.000 1.297 724 H CB -0.669 28.733 29.762 -0.600 0.000 1.375 724 H HN 0.700 nan 8.280 nan 0.000 0.509 725 Y N 0.106 120.336 120.300 -0.117 0.000 2.395 725 Y HA -0.039 4.512 4.550 0.002 0.000 0.293 725 Y C 2.261 178.128 175.900 -0.054 0.000 1.123 725 Y CA 0.857 58.886 58.100 -0.119 0.000 1.227 725 Y CB 0.031 38.548 38.460 0.096 0.000 1.012 725 Y HN 0.316 nan 8.280 nan 0.000 0.552 726 D N 0.099 120.543 120.400 0.073 0.000 2.149 726 D HA -0.081 4.560 4.640 0.002 0.000 0.201 726 D C 2.021 178.300 176.300 -0.034 0.000 0.972 726 D CA 0.834 54.852 54.000 0.031 0.000 0.835 726 D CB -0.080 40.709 40.800 -0.018 0.000 0.966 726 D HN 0.384 nan 8.370 nan 0.000 0.476 727 R N 0.482 120.930 120.500 -0.086 0.000 2.066 727 R HA -0.006 4.335 4.340 0.002 0.000 0.232 727 R C 2.647 178.880 176.300 -0.113 0.000 1.131 727 R CA 0.520 56.559 56.100 -0.102 0.000 0.955 727 R CB -0.362 29.876 30.300 -0.103 0.000 0.851 727 R HN 0.177 nan 8.270 nan 0.000 0.432 728 L N 0.471 121.604 121.223 -0.150 0.000 2.012 728 L HA -0.206 4.135 4.340 0.002 0.000 0.210 728 L C 2.450 179.358 176.870 0.064 0.000 1.073 728 L CA 1.236 56.026 54.840 -0.084 0.000 0.748 728 L CB -0.562 41.445 42.059 -0.087 0.000 0.891 728 L HN 0.056 nan 8.230 nan 0.000 0.431 729 V N -0.092 119.876 119.914 0.089 0.000 2.392 729 V HA -0.321 3.800 4.120 0.002 0.000 0.249 729 V C 2.219 178.372 176.094 0.097 0.000 1.059 729 V CA 2.118 64.507 62.300 0.147 0.000 1.051 729 V CB -0.537 31.370 31.823 0.139 0.000 0.658 729 V HN 0.502 nan 8.190 nan 0.000 0.455 730 D N 0.178 120.581 120.400 0.004 0.000 2.084 730 D HA -0.193 4.448 4.640 0.002 0.000 0.196 730 D C 2.122 178.401 176.300 -0.034 0.000 0.985 730 D CA 1.277 55.256 54.000 -0.035 0.000 0.826 730 D CB -0.175 40.582 40.800 -0.071 0.000 0.978 730 D HN 0.299 nan 8.370 nan 0.000 0.456 731 E N -1.139 118.995 120.200 -0.110 0.000 2.273 731 E HA -0.179 4.172 4.350 0.002 0.000 0.198 731 E C 0.821 177.263 176.600 -0.263 0.000 1.002 731 E CA 0.933 57.196 56.400 -0.229 0.000 0.828 731 E CB -0.300 29.170 29.700 -0.384 0.000 0.747 731 E HN 0.497 nan 8.360 nan 0.000 0.491 732 Y N -0.804 119.512 120.300 0.027 0.000 2.507 732 Y HA 0.261 4.812 4.550 0.002 0.000 0.254 732 Y C 0.712 176.648 175.900 0.061 0.000 1.171 732 Y CA -0.066 58.057 58.100 0.039 0.000 1.238 732 Y CB -0.052 38.432 38.460 0.040 0.000 1.148 732 Y HN -0.078 nan 8.280 nan 0.000 0.525 733 S N -0.937 114.876 115.700 0.188 0.000 2.645 733 S HA 0.185 4.656 4.470 0.002 0.000 0.266 733 S C 1.196 175.883 174.600 0.145 0.000 1.258 733 S CA -0.599 57.713 58.200 0.187 0.000 0.990 733 S CB 0.855 64.163 63.200 0.180 0.000 0.967 733 S HN 0.328 nan 8.310 nan 0.000 0.556 734 L N 0.634 121.947 121.223 0.150 0.000 2.275 734 L HA -0.048 4.293 4.340 0.002 0.000 0.215 734 L C 0.593 177.530 176.870 0.112 0.000 1.119 734 L CA 0.915 55.823 54.840 0.114 0.000 0.790 734 L CB -0.669 41.453 42.059 0.105 0.000 0.919 734 L HN 0.814 nan 8.230 nan 0.000 0.443 735 N N -0.221 118.552 118.700 0.122 0.000 2.696 735 N HA 0.233 4.974 4.740 0.002 0.000 0.308 735 N C -0.246 175.303 175.510 0.065 0.000 1.915 735 N CA -0.302 52.811 53.050 0.105 0.000 0.906 735 N CB 0.094 38.662 38.487 0.136 0.000 1.284 735 N HN -0.043 nan 8.380 nan 0.000 0.488 736 A N -0.145 122.703 122.820 0.046 0.000 2.584 736 A HA 0.435 4.756 4.320 0.002 0.000 0.239 736 A C 1.622 179.207 177.584 0.002 0.000 1.043 736 A CA 0.919 52.962 52.037 0.009 0.000 0.756 736 A CB -0.760 18.234 19.000 -0.009 0.000 0.963 736 A HN 1.392 nan 8.150 nan 0.000 0.511 737 G N 1.908 110.697 108.800 -0.018 0.000 2.268 737 G HA2 -0.222 3.739 3.960 0.002 0.000 0.240 737 G HA3 -0.222 3.739 3.960 0.002 0.000 0.240 737 G C 0.313 175.208 174.900 -0.010 0.000 1.010 737 G CA 0.661 45.749 45.100 -0.019 0.000 0.618 737 G HN 0.932 nan 8.290 nan 0.000 0.516 738 K N 0.332 120.737 120.400 0.009 0.000 2.185 738 K HA 0.629 4.950 4.320 0.002 0.000 0.240 738 K C 0.398 177.007 176.600 0.014 0.000 0.983 738 K CA -0.626 55.676 56.287 0.026 0.000 0.873 738 K CB 0.917 33.454 32.500 0.061 0.000 1.118 738 K HN 0.199 nan 8.250 nan 0.000 0.441 739 Q N 0.579 120.404 119.800 0.041 0.000 2.475 739 Q HA -0.220 4.121 4.340 0.002 0.000 0.280 739 Q C 0.734 176.721 176.000 -0.020 0.000 1.234 739 Q CA 0.609 56.441 55.803 0.048 0.000 0.873 739 Q CB -1.359 27.414 28.738 0.058 0.000 1.256 739 Q HN 0.673 nan 8.270 nan 0.000 0.475 740 R N -0.441 120.044 120.500 -0.025 0.000 2.091 740 R HA -0.174 4.167 4.340 0.002 0.000 0.238 740 R C 1.771 178.056 176.300 -0.026 0.000 1.136 740 R CA 1.820 57.881 56.100 -0.065 0.000 0.959 740 R CB -0.524 29.726 30.300 -0.083 0.000 0.856 740 R HN 0.441 nan 8.270 nan 0.000 0.437 741 Y N 2.356 122.581 120.300 -0.125 0.000 2.089 741 Y HA -0.267 4.284 4.550 0.002 0.000 0.282 741 Y C 2.565 178.421 175.900 -0.073 0.000 1.139 741 Y CA 2.007 60.038 58.100 -0.115 0.000 1.123 741 Y CB -0.567 37.858 38.460 -0.059 0.000 0.980 741 Y HN 0.207 nan 8.280 nan 0.000 0.493 742 E N 0.322 120.531 120.200 0.015 0.000 2.171 742 E HA -0.283 4.068 4.350 0.002 0.000 0.197 742 E C 1.733 178.293 176.600 -0.067 0.000 0.997 742 E CA 1.734 58.121 56.400 -0.022 0.000 0.810 742 E CB -0.277 29.511 29.700 0.146 0.000 0.738 742 E HN 0.479 nan 8.360 nan 0.000 0.467 743 K N -0.539 119.736 120.400 -0.207 0.000 2.555 743 K HA 0.033 4.354 4.320 0.002 0.000 0.193 743 K C 1.241 177.779 176.600 -0.102 0.000 1.032 743 K CA 0.650 56.712 56.287 -0.375 0.000 1.004 743 K CB 0.154 32.318 32.500 -0.560 0.000 0.804 743 K HN 0.293 nan 8.250 nan 0.000 0.496 744 M N -0.671 118.877 119.600 -0.088 0.000 2.346 744 M HA 0.202 4.683 4.480 0.002 0.000 0.280 744 M C 0.932 177.212 176.300 -0.032 0.000 1.075 744 M CA 0.273 55.553 55.300 -0.034 0.000 0.989 744 M CB 0.691 33.254 32.600 -0.062 0.000 1.447 744 M HN 0.046 nan 8.290 nan 0.000 0.511 745 I N -1.872 118.674 120.570 -0.041 0.000 4.193 745 I HA 0.087 4.258 4.170 0.002 0.000 0.287 745 I C 1.131 177.274 176.117 0.044 0.000 1.175 745 I CA -0.048 61.254 61.300 0.003 0.000 1.320 745 I CB 0.416 38.342 38.000 -0.123 0.000 1.523 745 I HN 0.098 nan 8.210 nan 0.000 0.450 746 S N 1.219 116.974 115.700 0.092 0.000 2.584 746 S HA 0.180 4.651 4.470 0.002 0.000 0.270 746 S C 1.320 175.942 174.600 0.036 0.000 1.346 746 S CA 0.113 58.357 58.200 0.074 0.000 1.018 746 S CB 1.162 64.459 63.200 0.162 0.000 0.899 746 S HN 0.364 nan 8.310 nan 0.000 0.542 747 G N 0.735 109.506 108.800 -0.047 0.000 2.470 747 G HA2 -0.188 3.773 3.960 0.002 0.000 0.220 747 G HA3 -0.188 3.773 3.960 0.002 0.000 0.220 747 G C 1.177 176.028 174.900 -0.082 0.000 1.121 747 G CA 0.852 45.915 45.100 -0.063 0.000 0.766 747 G HN 0.818 nan 8.290 nan 0.000 0.553 748 M N -1.051 118.440 119.600 -0.181 0.000 2.419 748 M HA 0.146 4.627 4.480 0.002 0.000 0.264 748 M C 1.556 177.558 176.300 -0.498 0.000 1.082 748 M CA 1.174 56.237 55.300 -0.396 0.000 1.119 748 M CB 0.153 32.374 32.600 -0.632 0.000 1.398 748 M HN 0.293 nan 8.290 nan 0.000 0.453 749 Y N -1.127 119.199 120.300 0.044 0.000 2.581 749 Y HA 0.224 4.775 4.550 0.002 0.000 0.271 749 Y C 1.794 177.728 175.900 0.056 0.000 1.100 749 Y CA -0.145 57.989 58.100 0.056 0.000 1.281 749 Y CB -0.307 38.184 38.460 0.052 0.000 1.237 749 Y HN -0.009 nan 8.280 nan 0.000 0.514 750 L N 0.080 121.406 121.223 0.172 0.000 2.010 750 L HA -0.287 4.054 4.340 0.002 0.000 0.219 750 L C 2.568 179.491 176.870 0.089 0.000 1.077 750 L CA 1.949 56.854 54.840 0.109 0.000 0.773 750 L CB -1.147 40.948 42.059 0.060 0.000 0.892 750 L HN 0.470 nan 8.230 nan 0.000 0.436 751 G N -0.750 108.117 108.800 0.112 0.000 2.469 751 G HA2 -0.270 3.691 3.960 0.002 0.000 0.219 751 G HA3 -0.270 3.691 3.960 0.002 0.000 0.219 751 G C 1.428 176.436 174.900 0.180 0.000 1.150 751 G CA 0.574 45.775 45.100 0.168 0.000 0.763 751 G HN 0.329 nan 8.290 nan 0.000 0.561 752 E N 0.490 120.793 120.200 0.172 0.000 2.110 752 E HA -0.080 4.271 4.350 0.002 0.000 0.193 752 E C 2.653 179.333 176.600 0.132 0.000 0.988 752 E CA 0.523 57.026 56.400 0.171 0.000 0.804 752 E CB -0.249 29.565 29.700 0.189 0.000 0.745 752 E HN 0.557 nan 8.360 nan 0.000 0.458 753 I N 0.582 121.221 120.570 0.115 0.000 2.163 753 I HA -0.255 3.916 4.170 0.002 0.000 0.243 753 I C 2.450 178.537 176.117 -0.049 0.000 1.085 753 I CA 0.840 62.193 61.300 0.088 0.000 1.347 753 I CB -0.505 37.564 38.000 0.115 0.000 1.044 753 I HN -0.053 nan 8.210 nan 0.000 0.408 754 V N 0.896 120.741 119.914 -0.116 0.000 2.261 754 V HA -0.312 3.809 4.120 0.002 0.000 0.246 754 V C 2.681 178.647 176.094 -0.213 0.000 1.047 754 V CA 2.144 64.278 62.300 -0.276 0.000 1.015 754 V CB -0.803 30.770 31.823 -0.417 0.000 0.642 754 V HN 0.398 nan 8.190 nan 0.000 0.446 755 R N 0.358 120.850 120.500 -0.013 0.000 2.113 755 R HA -0.220 4.121 4.340 0.002 0.000 0.244 755 R C 2.245 178.592 176.300 0.078 0.000 1.142 755 R CA 2.233 58.452 56.100 0.198 0.000 0.953 755 R CB -0.384 30.106 30.300 0.316 0.000 0.860 755 R HN 0.575 nan 8.270 nan 0.000 0.438 756 N N 0.240 118.971 118.700 0.052 0.000 2.166 756 N HA -0.147 4.594 4.740 0.002 0.000 0.186 756 N C 1.850 177.339 175.510 -0.035 0.000 1.019 756 N CA 1.476 54.575 53.050 0.081 0.000 0.856 756 N CB -0.067 38.523 38.487 0.172 0.000 0.993 756 N HN 0.349 nan 8.380 nan 0.000 0.426 757 I N 1.146 121.506 120.570 -0.350 0.000 2.353 757 I HA -0.191 3.980 4.170 0.002 0.000 0.248 757 I C 2.200 177.956 176.117 -0.603 0.000 1.119 757 I CA 0.644 61.451 61.300 -0.821 0.000 1.417 757 I CB -0.160 37.239 38.000 -1.003 0.000 1.078 757 I HN 0.065 nan 8.210 nan 0.000 0.421 758 L N 0.506 121.553 121.223 -0.293 0.000 2.017 758 L HA -0.229 4.112 4.340 0.002 0.000 0.208 758 L C 2.583 179.501 176.870 0.080 0.000 1.073 758 L CA 1.624 56.430 54.840 -0.055 0.000 0.745 758 L CB -0.517 41.604 42.059 0.102 0.000 0.894 758 L HN 0.221 nan 8.230 nan 0.000 0.432 759 I N 0.044 120.667 120.570 0.088 0.000 2.208 759 I HA -0.346 3.825 4.170 0.002 0.000 0.245 759 I C 2.344 178.536 176.117 0.125 0.000 1.097 759 I CA 1.513 62.888 61.300 0.125 0.000 1.363 759 I CB -0.361 37.705 38.000 0.110 0.000 1.051 759 I HN 0.341 nan 8.210 nan 0.000 0.413 760 D N 0.775 121.240 120.400 0.108 0.000 2.097 760 D HA -0.206 4.435 4.640 0.002 0.000 0.195 760 D C 2.077 178.504 176.300 0.210 0.000 0.989 760 D CA 1.588 55.687 54.000 0.165 0.000 0.827 760 D CB -0.066 40.894 40.800 0.268 0.000 0.966 760 D HN 0.138 nan 8.370 nan 0.000 0.456 761 F N 0.842 120.834 119.950 0.071 0.000 2.216 761 F HA -0.069 4.459 4.527 0.002 0.000 0.300 761 F C 2.661 178.418 175.800 -0.073 0.000 1.085 761 F CA 0.923 58.943 58.000 0.033 0.000 1.326 761 F CB -1.184 37.898 39.000 0.137 0.000 1.027 761 F HN -0.002 nan 8.300 nan 0.000 0.497 762 T N -0.144 114.532 114.554 0.204 0.000 2.737 762 T HA -0.167 4.184 4.350 0.002 0.000 0.265 762 T C 2.091 176.821 174.700 0.050 0.000 1.038 762 T CA 1.251 63.439 62.100 0.147 0.000 1.144 762 T CB -0.136 68.875 68.868 0.237 0.000 0.866 762 T HN 0.169 nan 8.240 nan 0.000 0.434 763 K N 0.956 121.383 120.400 0.044 0.000 2.103 763 K HA -0.062 4.259 4.320 0.002 0.000 0.207 763 K C 2.038 178.584 176.600 -0.090 0.000 1.048 763 K CA 0.941 57.229 56.287 0.003 0.000 0.930 763 K CB -0.022 32.496 32.500 0.030 0.000 0.716 763 K HN 0.278 nan 8.250 nan 0.000 0.444 764 K N -0.208 120.064 120.400 -0.213 0.000 2.525 764 K HA 0.015 4.336 4.320 0.002 0.000 0.192 764 K C 0.774 177.016 176.600 -0.596 0.000 1.029 764 K CA 0.782 56.783 56.287 -0.476 0.000 1.029 764 K CB 0.327 32.345 32.500 -0.802 0.000 0.814 764 K HN 0.359 nan 8.250 nan 0.000 0.503 765 G N 1.819 110.432 108.800 -0.311 0.000 2.256 765 G HA2 -0.224 3.737 3.960 0.002 0.000 0.272 765 G HA3 -0.224 3.737 3.960 0.002 0.000 0.272 765 G C 0.157 175.082 174.900 0.042 0.000 1.076 765 G CA -0.210 44.822 45.100 -0.115 0.000 0.882 765 G HN 0.253 nan 8.290 nan 0.000 0.497 766 F N -0.878 119.059 119.950 -0.022 0.000 2.717 766 F HA 0.489 5.017 4.527 0.002 0.000 0.297 766 F C 1.329 177.046 175.800 -0.140 0.000 1.113 766 F CA -0.603 57.337 58.000 -0.101 0.000 1.319 766 F CB 0.318 39.194 39.000 -0.207 0.000 1.097 766 F HN 0.176 nan 8.300 nan 0.000 0.595 767 L N -0.645 120.594 121.223 0.026 0.000 2.422 767 L HA 0.319 4.660 4.340 0.002 0.000 0.264 767 L C -0.624 176.131 176.870 -0.191 0.000 0.984 767 L CA -1.056 53.602 54.840 -0.303 0.000 0.819 767 L CB 2.042 43.785 42.059 -0.527 0.000 1.330 767 L HN -0.117 nan 8.230 nan 0.000 0.410 768 F N 1.243 121.240 119.950 0.079 0.000 3.048 768 F HA -0.282 4.246 4.527 0.002 0.000 0.269 768 F C 1.158 176.985 175.800 0.045 0.000 0.960 768 F CA 0.512 58.545 58.000 0.055 0.000 0.909 768 F CB -2.023 37.008 39.000 0.052 0.000 0.837 768 F HN 0.702 nan 8.300 nan 0.000 0.768 769 R N -1.959 118.628 120.500 0.146 0.000 3.932 769 R HA -0.124 4.217 4.340 0.002 0.000 0.318 769 R C 1.405 177.762 176.300 0.095 0.000 1.219 769 R CA 1.634 57.795 56.100 0.103 0.000 0.889 769 R CB -2.002 28.354 30.300 0.093 0.000 1.309 769 R HN 1.766 nan 8.270 nan 0.000 0.537 770 G N -1.079 107.789 108.800 0.113 0.000 2.143 770 G HA2 -0.357 3.604 3.960 0.002 0.000 0.249 770 G HA3 -0.357 3.604 3.960 0.002 0.000 0.249 770 G C -0.158 174.797 174.900 0.093 0.000 0.981 770 G CA 0.388 45.538 45.100 0.084 0.000 0.665 770 G HN 0.441 nan 8.290 nan 0.000 0.528 771 Q N -0.343 119.532 119.800 0.125 0.000 2.314 771 Q HA 0.611 4.952 4.340 0.002 0.000 0.259 771 Q C -0.225 175.829 176.000 0.090 0.000 0.951 771 Q CA -0.670 55.185 55.803 0.086 0.000 0.909 771 Q CB 1.574 30.350 28.738 0.063 0.000 1.236 771 Q HN 0.350 nan 8.270 nan 0.000 0.444 772 I N 2.447 123.053 120.570 0.060 0.000 2.322 772 I HA 0.013 4.184 4.170 0.002 0.000 0.292 772 I C 0.724 176.837 176.117 -0.006 0.000 1.060 772 I CA 0.299 61.627 61.300 0.046 0.000 1.309 772 I CB 0.904 38.932 38.000 0.046 0.000 1.415 772 I HN 0.547 nan 8.210 nan 0.000 0.492 773 S N 4.120 119.788 115.700 -0.054 0.000 2.645 773 S HA 0.241 4.712 4.470 0.002 0.000 0.266 773 S C 1.130 175.683 174.600 -0.080 0.000 1.258 773 S CA -0.330 57.818 58.200 -0.086 0.000 0.990 773 S CB 1.280 64.388 63.200 -0.153 0.000 0.967 773 S HN 0.598 nan 8.310 nan 0.000 0.556 774 E N 0.842 120.992 120.200 -0.082 0.000 2.106 774 E HA -0.021 4.330 4.350 0.002 0.000 0.192 774 E C 1.985 178.524 176.600 -0.100 0.000 0.984 774 E CA 1.962 58.316 56.400 -0.078 0.000 0.806 774 E CB -0.961 28.696 29.700 -0.071 0.000 0.750 774 E HN 0.822 nan 8.360 nan 0.000 0.458 775 T N 0.836 115.311 114.554 -0.131 0.000 2.684 775 T HA -0.181 4.170 4.350 0.002 0.000 0.267 775 T C 1.691 176.287 174.700 -0.172 0.000 1.036 775 T CA 1.229 63.227 62.100 -0.171 0.000 1.148 775 T CB -0.408 68.332 68.868 -0.214 0.000 0.863 775 T HN 0.093 nan 8.240 nan 0.000 0.436 776 L N 0.823 121.959 121.223 -0.144 0.000 2.261 776 L HA -0.001 4.340 4.340 0.002 0.000 0.216 776 L C 1.900 178.747 176.870 -0.039 0.000 1.114 776 L CA 1.695 56.492 54.840 -0.073 0.000 0.777 776 L CB -0.413 41.628 42.059 -0.029 0.000 0.910 776 L HN 0.133 nan 8.230 nan 0.000 0.440 777 K N -1.670 118.694 120.400 -0.061 0.000 2.393 777 K HA 0.125 4.446 4.320 0.002 0.000 0.193 777 K C 0.195 176.751 176.600 -0.073 0.000 1.026 777 K CA 0.086 56.341 56.287 -0.054 0.000 1.064 777 K CB 0.174 32.643 32.500 -0.052 0.000 0.833 777 K HN 0.199 nan 8.250 nan 0.000 0.521 778 T N 2.972 117.471 114.554 -0.092 0.000 2.737 778 T HA 0.108 4.459 4.350 0.002 0.000 0.296 778 T C -0.020 174.627 174.700 -0.088 0.000 0.922 778 T CA -0.546 61.496 62.100 -0.097 0.000 1.079 778 T CB 0.545 69.341 68.868 -0.119 0.000 0.892 778 T HN 0.290 nan 8.240 nan 0.000 0.514 779 R N 2.070 122.531 120.500 -0.066 0.000 2.539 779 R HA 0.495 4.836 4.340 0.002 0.000 0.275 779 R C 1.046 177.325 176.300 -0.035 0.000 1.077 779 R CA 0.236 56.315 56.100 -0.036 0.000 1.097 779 R CB 0.024 30.305 30.300 -0.032 0.000 1.018 779 R HN 0.784 nan 8.270 nan 0.000 0.483 780 G N 2.228 111.025 108.800 -0.005 0.000 2.176 780 G HA2 -0.284 3.677 3.960 0.002 0.000 0.253 780 G HA3 -0.284 3.677 3.960 0.002 0.000 0.253 780 G C 0.525 175.415 174.900 -0.017 0.000 0.979 780 G CA 0.154 45.255 45.100 0.000 0.000 0.641 780 G HN 0.610 nan 8.290 nan 0.000 0.530 781 I N 0.458 120.956 120.570 -0.121 0.000 2.248 781 I HA 0.077 4.248 4.170 0.002 0.000 0.248 781 I C 1.218 177.150 176.117 -0.308 0.000 1.107 781 I CA 0.222 61.340 61.300 -0.303 0.000 1.373 781 I CB -0.515 37.154 38.000 -0.552 0.000 1.055 781 I HN 0.181 nan 8.210 nan 0.000 0.418 782 F N 2.119 122.121 119.950 0.087 0.000 2.573 782 F HA 0.247 4.775 4.527 0.002 0.000 0.349 782 F C 1.140 177.070 175.800 0.216 0.000 1.213 782 F CA -0.678 57.420 58.000 0.163 0.000 1.300 782 F CB -1.059 37.995 39.000 0.090 0.000 1.661 782 F HN 0.025 nan 8.300 nan 0.000 0.616 783 E N -0.028 120.448 120.200 0.460 0.000 2.468 783 E HA -0.060 4.291 4.350 0.002 0.000 0.263 783 E C 1.185 177.836 176.600 0.085 0.000 1.192 783 E CA 0.334 56.836 56.400 0.170 0.000 1.016 783 E CB 0.633 30.292 29.700 -0.069 0.000 0.980 783 E HN 0.366 nan 8.360 nan 0.000 0.467 784 T N 0.997 115.535 114.554 -0.027 0.000 2.788 784 T HA -0.173 4.178 4.350 0.002 0.000 0.268 784 T C 1.729 176.379 174.700 -0.082 0.000 1.044 784 T CA 1.329 63.413 62.100 -0.026 0.000 1.139 784 T CB -0.029 68.805 68.868 -0.058 0.000 0.867 784 T HN 0.424 nan 8.240 nan 0.000 0.454 785 K N 0.184 120.434 120.400 -0.249 0.000 2.147 785 K HA -0.099 4.222 4.320 0.002 0.000 0.205 785 K C 1.604 178.018 176.600 -0.310 0.000 1.049 785 K CA 1.315 57.389 56.287 -0.355 0.000 0.936 785 K CB -0.226 31.937 32.500 -0.561 0.000 0.722 785 K HN 0.298 nan 8.250 nan 0.000 0.446 786 F N 1.147 121.121 119.950 0.039 0.000 2.270 786 F HA 0.062 4.590 4.527 0.002 0.000 0.295 786 F C 2.083 177.924 175.800 0.067 0.000 1.087 786 F CA 0.385 58.422 58.000 0.062 0.000 1.365 786 F CB -0.563 38.505 39.000 0.112 0.000 1.056 786 F HN -0.103 nan 8.300 nan 0.000 0.506 787 L N -0.704 120.665 121.223 0.244 0.000 2.191 787 L HA -0.214 4.127 4.340 0.002 0.000 0.212 787 L C 2.306 179.213 176.870 0.061 0.000 1.103 787 L CA 1.138 56.078 54.840 0.167 0.000 0.769 787 L CB -0.529 41.636 42.059 0.176 0.000 0.908 787 L HN 0.092 nan 8.230 nan 0.000 0.438 788 S N -1.263 114.431 115.700 -0.010 0.000 2.414 788 S HA -0.131 4.339 4.470 0.002 0.000 0.227 788 S C 1.836 176.340 174.600 -0.159 0.000 1.022 788 S CA 0.708 58.792 58.200 -0.193 0.000 0.958 788 S CB 0.021 63.133 63.200 -0.148 0.000 0.797 788 S HN 0.440 nan 8.310 nan 0.000 0.493 789 Q N 0.660 120.437 119.800 -0.039 0.000 2.020 789 Q HA 0.060 4.401 4.340 0.002 0.000 0.198 789 Q C 2.239 178.241 176.000 0.002 0.000 0.974 789 Q CA 1.096 56.895 55.803 -0.006 0.000 0.829 789 Q CB -0.307 28.478 28.738 0.078 0.000 0.894 789 Q HN 0.470 nan 8.270 nan 0.000 0.433 790 I N 1.183 121.783 120.570 0.049 0.000 2.248 790 I HA -0.307 3.864 4.170 0.002 0.000 0.248 790 I C 1.350 177.475 176.117 0.012 0.000 1.107 790 I CA 1.545 62.872 61.300 0.045 0.000 1.373 790 I CB 0.110 38.154 38.000 0.073 0.000 1.055 790 I HN 0.242 nan 8.210 nan 0.000 0.418 791 E N -0.108 120.078 120.200 -0.024 0.000 2.478 791 E HA 0.006 4.357 4.350 0.002 0.000 0.194 791 E C 0.930 177.511 176.600 -0.031 0.000 1.045 791 E CA -0.087 56.309 56.400 -0.007 0.000 0.868 791 E CB 0.127 29.818 29.700 -0.015 0.000 0.885 791 E HN 0.347 nan 8.360 nan 0.000 0.505 792 S N 1.275 116.918 115.700 -0.094 0.000 2.561 792 S HA -0.097 4.374 4.470 0.002 0.000 0.294 792 S C 0.707 175.295 174.600 -0.020 0.000 1.294 792 S CA -0.139 57.998 58.200 -0.104 0.000 1.055 792 S CB 0.488 63.640 63.200 -0.079 0.000 0.819 792 S HN 0.077 nan 8.310 nan 0.000 0.503 793 D N 3.125 123.523 120.400 -0.005 0.000 2.289 793 D HA 0.067 4.708 4.640 0.002 0.000 0.207 793 D C 1.684 177.991 176.300 0.012 0.000 0.966 793 D CA 0.675 54.702 54.000 0.044 0.000 0.868 793 D CB 0.080 40.933 40.800 0.089 0.000 0.943 793 D HN 0.534 nan 8.370 nan 0.000 0.514 794 R N -0.183 120.313 120.500 -0.008 0.000 2.313 794 R HA 0.163 4.504 4.340 0.002 0.000 0.199 794 R C 0.653 176.948 176.300 -0.007 0.000 0.958 794 R CA -0.030 56.064 56.100 -0.009 0.000 1.047 794 R CB 0.409 30.699 30.300 -0.017 0.000 0.955 794 R HN 0.094 nan 8.270 nan 0.000 0.481 795 L N 0.387 121.607 121.223 -0.005 0.000 2.439 795 L HA 0.392 4.733 4.340 0.002 0.000 0.261 795 L C -0.003 176.868 176.870 0.002 0.000 1.153 795 L CA -0.468 54.371 54.840 -0.001 0.000 0.808 795 L CB 1.254 43.314 42.059 0.002 0.000 1.126 795 L HN 0.083 nan 8.230 nan 0.000 0.460 796 A N 1.718 124.540 122.820 0.004 0.000 2.365 796 A HA 0.386 4.707 4.320 0.002 0.000 0.318 796 A C 0.340 177.928 177.584 0.007 0.000 1.091 796 A CA -0.601 51.438 52.037 0.003 0.000 0.763 796 A CB 1.428 20.429 19.000 0.002 0.000 1.248 796 A HN 0.665 nan 8.150 nan 0.000 0.442 797 L N 1.842 123.069 121.223 0.006 0.000 2.064 797 L HA -0.231 4.110 4.340 0.002 0.000 0.216 797 L C 2.328 179.206 176.870 0.013 0.000 1.077 797 L CA 2.553 57.398 54.840 0.009 0.000 0.766 797 L CB -0.787 41.275 42.059 0.006 0.000 0.890 797 L HN 0.881 nan 8.230 nan 0.000 0.435 798 L N -1.249 119.980 121.223 0.010 0.000 2.042 798 L HA -0.289 4.052 4.340 0.002 0.000 0.210 798 L C 2.525 179.404 176.870 0.014 0.000 1.076 798 L CA 1.954 56.801 54.840 0.011 0.000 0.749 798 L CB -0.382 41.682 42.059 0.007 0.000 0.893 798 L HN 0.419 nan 8.230 nan 0.000 0.432 799 Q N -0.294 119.514 119.800 0.013 0.000 2.079 799 Q HA -0.156 4.185 4.340 0.002 0.000 0.200 799 Q C 1.986 178.000 176.000 0.023 0.000 0.974 799 Q CA 2.529 58.342 55.803 0.016 0.000 0.840 799 Q CB -0.501 28.245 28.738 0.013 0.000 0.898 799 Q HN 0.478 nan 8.270 nan 0.000 0.430 800 V N 0.966 120.895 119.914 0.025 0.000 2.255 800 V HA -0.312 3.809 4.120 0.002 0.000 0.247 800 V C 2.522 178.641 176.094 0.042 0.000 1.051 800 V CA 2.351 64.672 62.300 0.035 0.000 1.018 800 V CB -0.750 31.092 31.823 0.032 0.000 0.641 800 V HN 0.467 nan 8.190 nan 0.000 0.445 801 R N 0.067 120.590 120.500 0.039 0.000 2.127 801 R HA -0.191 4.150 4.340 0.002 0.000 0.238 801 R C 2.218 178.538 176.300 0.033 0.000 1.134 801 R CA 1.664 57.792 56.100 0.046 0.000 0.975 801 R CB -0.415 29.909 30.300 0.040 0.000 0.865 801 R HN 0.513 nan 8.270 nan 0.000 0.447 802 A N 1.354 124.187 122.820 0.022 0.000 1.835 802 A HA -0.155 4.166 4.320 0.002 0.000 0.215 802 A C 2.153 179.739 177.584 0.003 0.000 1.199 802 A CA 1.627 53.671 52.037 0.011 0.000 0.615 802 A CB -0.662 18.345 19.000 0.011 0.000 0.838 802 A HN 0.353 nan 8.150 nan 0.000 0.444 803 I N -0.244 120.333 120.570 0.012 0.000 2.145 803 I HA -0.344 3.827 4.170 0.002 0.000 0.244 803 I C 2.504 178.597 176.117 -0.040 0.000 1.075 803 I CA 1.542 62.842 61.300 -0.001 0.000 1.332 803 I CB -0.464 37.559 38.000 0.038 0.000 1.033 803 I HN 0.325 nan 8.210 nan 0.000 0.410 804 L N -0.211 121.012 121.223 0.001 0.000 2.017 804 L HA -0.277 4.064 4.340 0.002 0.000 0.208 804 L C 2.680 179.520 176.870 -0.051 0.000 1.073 804 L CA 1.557 56.398 54.840 0.003 0.000 0.745 804 L CB -0.480 41.634 42.059 0.092 0.000 0.894 804 L HN 0.306 nan 8.230 nan 0.000 0.432 805 Q N -0.712 119.070 119.800 -0.030 0.000 2.170 805 Q HA -0.256 4.085 4.340 0.002 0.000 0.203 805 Q C 2.260 178.212 176.000 -0.079 0.000 0.976 805 Q CA 1.437 57.211 55.803 -0.049 0.000 0.858 805 Q CB 0.026 28.751 28.738 -0.022 0.000 0.907 805 Q HN 0.480 nan 8.270 nan 0.000 0.433 806 Q N -0.162 119.589 119.800 -0.081 0.000 2.124 806 Q HA -0.137 4.204 4.340 0.002 0.000 0.202 806 Q C 1.877 177.784 176.000 -0.155 0.000 0.977 806 Q CA 0.891 56.636 55.803 -0.097 0.000 0.850 806 Q CB -0.002 28.686 28.738 -0.083 0.000 0.901 806 Q HN 0.420 nan 8.270 nan 0.000 0.429 807 L N -1.193 119.902 121.223 -0.214 0.000 2.362 807 L HA -0.069 4.272 4.340 0.002 0.000 0.219 807 L C 1.246 177.971 176.870 -0.241 0.000 1.134 807 L CA 0.907 55.568 54.840 -0.299 0.000 0.807 807 L CB -0.068 41.761 42.059 -0.383 0.000 0.927 807 L HN 0.541 nan 8.230 nan 0.000 0.447 808 G N -0.337 108.351 108.800 -0.186 0.000 2.192 808 G HA2 -0.208 3.753 3.960 0.002 0.000 0.193 808 G HA3 -0.208 3.753 3.960 0.002 0.000 0.193 808 G C 0.028 174.807 174.900 -0.201 0.000 0.999 808 G CA -0.535 44.462 45.100 -0.172 0.000 0.659 808 G HN 0.152 nan 8.290 nan 0.000 0.503 809 L N 1.988 123.078 121.223 -0.222 0.000 2.257 809 L HA 0.367 4.708 4.340 0.002 0.000 0.290 809 L C 0.699 177.448 176.870 -0.203 0.000 1.044 809 L CA -0.706 53.937 54.840 -0.327 0.000 0.810 809 L CB 1.350 43.190 42.059 -0.365 0.000 1.193 809 L HN 0.343 nan 8.230 nan 0.000 0.425 810 N N 2.991 121.570 118.700 -0.200 0.000 2.415 810 N HA 0.125 4.866 4.740 0.002 0.000 0.250 810 N C -1.066 174.513 175.510 0.115 0.000 1.127 810 N CA -0.282 52.745 53.050 -0.039 0.000 0.945 810 N CB 0.633 39.105 38.487 -0.025 0.000 1.196 810 N HN 0.591 nan 8.380 nan 0.000 0.499 811 S N 1.901 117.706 115.700 0.174 0.000 2.513 811 S HA 0.363 4.834 4.470 0.002 0.000 0.299 811 S C 0.493 175.189 174.600 0.161 0.000 1.087 811 S CA -0.893 57.495 58.200 0.313 0.000 1.012 811 S CB 1.712 65.151 63.200 0.398 0.000 1.044 811 S HN 0.674 nan 8.310 nan 0.000 0.485 812 T N -1.724 112.908 114.554 0.131 0.000 2.833 812 T HA 0.237 4.588 4.350 0.002 0.000 0.292 812 T C 1.216 175.946 174.700 0.051 0.000 1.031 812 T CA -0.443 61.699 62.100 0.068 0.000 0.937 812 T CB -0.015 68.881 68.868 0.047 0.000 1.256 812 T HN 0.580 nan 8.240 nan 0.000 0.551 813 C N 0.142 119.459 119.300 0.029 0.000 2.475 813 C HA 0.008 4.469 4.460 0.002 0.000 0.279 813 C C 2.682 177.676 174.990 0.005 0.000 1.322 813 C CA 0.526 59.555 59.018 0.019 0.000 1.734 813 C CB -1.274 26.474 27.740 0.013 0.000 2.005 813 C HN 0.856 nan 8.230 nan 0.000 0.495 814 D N 0.820 121.219 120.400 -0.002 0.000 2.178 814 D HA -0.119 4.522 4.640 0.002 0.000 0.201 814 D C 1.550 177.820 176.300 -0.050 0.000 0.980 814 D CA 1.370 55.357 54.000 -0.022 0.000 0.842 814 D CB -0.316 40.475 40.800 -0.016 0.000 0.948 814 D HN 0.500 nan 8.370 nan 0.000 0.472 815 D N 0.104 120.472 120.400 -0.052 0.000 2.084 815 D HA -0.081 4.560 4.640 0.002 0.000 0.194 815 D C 2.210 178.474 176.300 -0.060 0.000 0.990 815 D CA 0.836 54.762 54.000 -0.123 0.000 0.826 815 D CB -0.332 40.404 40.800 -0.107 0.000 0.971 815 D HN 0.011 nan 8.370 nan 0.000 0.453 816 S N 0.505 116.212 115.700 0.012 0.000 2.374 816 S HA -0.186 4.285 4.470 0.002 0.000 0.227 816 S C 2.208 176.806 174.600 -0.003 0.000 1.037 816 S CA 0.751 58.971 58.200 0.032 0.000 1.024 816 S CB -0.341 62.883 63.200 0.041 0.000 0.861 816 S HN 0.247 nan 8.310 nan 0.000 0.456 817 I N 0.814 121.369 120.570 -0.025 0.000 2.208 817 I HA -0.176 3.995 4.170 0.002 0.000 0.245 817 I C 2.272 178.351 176.117 -0.064 0.000 1.097 817 I CA 0.857 62.130 61.300 -0.045 0.000 1.363 817 I CB -0.292 37.673 38.000 -0.059 0.000 1.051 817 I HN 0.218 nan 8.210 nan 0.000 0.413 818 L N -0.035 121.142 121.223 -0.077 0.000 2.093 818 L HA -0.111 4.230 4.340 0.002 0.000 0.208 818 L C 2.360 179.205 176.870 -0.041 0.000 1.085 818 L CA 1.676 56.470 54.840 -0.078 0.000 0.755 818 L CB -0.449 41.551 42.059 -0.098 0.000 0.904 818 L HN 0.002 nan 8.230 nan 0.000 0.435 819 V N -0.127 119.766 119.914 -0.034 0.000 2.358 819 V HA -0.292 3.829 4.120 0.002 0.000 0.246 819 V C 2.653 178.716 176.094 -0.053 0.000 1.047 819 V CA 2.004 64.287 62.300 -0.028 0.000 1.035 819 V CB -0.662 31.186 31.823 0.042 0.000 0.658 819 V HN 0.503 nan 8.190 nan 0.000 0.452 820 K N -0.282 120.100 120.400 -0.031 0.000 2.057 820 K HA -0.200 4.121 4.320 0.002 0.000 0.207 820 K C 2.209 178.781 176.600 -0.046 0.000 1.049 820 K CA 2.037 58.308 56.287 -0.027 0.000 0.931 820 K CB -0.312 32.180 32.500 -0.013 0.000 0.714 820 K HN 0.491 nan 8.250 nan 0.000 0.440 821 T N 0.968 115.487 114.554 -0.058 0.000 2.652 821 T HA -0.137 4.214 4.350 0.002 0.000 0.267 821 T C 1.894 176.542 174.700 -0.088 0.000 1.039 821 T CA 1.601 63.659 62.100 -0.071 0.000 1.153 821 T CB -0.245 68.573 68.868 -0.083 0.000 0.863 821 T HN 0.011 nan 8.240 nan 0.000 0.428 822 V N 0.978 120.835 119.914 -0.094 0.000 2.324 822 V HA -0.255 3.866 4.120 0.002 0.000 0.250 822 V C 2.851 178.820 176.094 -0.208 0.000 1.060 822 V CA 1.586 63.786 62.300 -0.166 0.000 1.042 822 V CB -0.884 30.832 31.823 -0.178 0.000 0.650 822 V HN 0.629 nan 8.190 nan 0.000 0.450 823 C N 0.589 119.795 119.300 -0.157 0.000 2.413 823 C HA -0.078 4.383 4.460 0.002 0.000 0.277 823 C C 2.902 177.864 174.990 -0.048 0.000 1.265 823 C CA 0.849 59.797 59.018 -0.117 0.000 1.752 823 C CB -1.704 25.996 27.740 -0.067 0.000 1.998 823 C HN 0.711 nan 8.230 nan 0.000 0.489 824 G N 0.026 108.805 108.800 -0.037 0.000 2.404 824 G HA2 -0.134 3.827 3.960 0.002 0.000 0.215 824 G HA3 -0.134 3.827 3.960 0.002 0.000 0.215 824 G C 1.701 176.579 174.900 -0.038 0.000 1.174 824 G CA 1.161 46.259 45.100 -0.004 0.000 0.780 824 G HN 0.378 nan 8.290 nan 0.000 0.537 825 V N 0.554 120.414 119.914 -0.090 0.000 2.287 825 V HA -0.198 3.923 4.120 0.002 0.000 0.248 825 V C 3.059 179.089 176.094 -0.106 0.000 1.053 825 V CA 1.696 63.939 62.300 -0.096 0.000 1.027 825 V CB -0.456 31.265 31.823 -0.171 0.000 0.646 825 V HN 0.247 nan 8.190 nan 0.000 0.447 826 V N 0.704 120.491 119.914 -0.211 0.000 2.295 826 V HA -0.225 3.896 4.120 0.002 0.000 0.246 826 V C 2.723 178.806 176.094 -0.019 0.000 1.049 826 V CA 2.315 64.520 62.300 -0.158 0.000 1.024 826 V CB -0.811 30.871 31.823 -0.235 0.000 0.648 826 V HN 0.770 nan 8.190 nan 0.000 0.447 827 S N 0.889 116.580 115.700 -0.016 0.000 2.402 827 S HA -0.267 4.204 4.470 0.002 0.000 0.229 827 S C 2.108 176.698 174.600 -0.016 0.000 1.021 827 S CA 1.644 59.844 58.200 -0.001 0.000 0.974 827 S CB -0.495 62.710 63.200 0.008 0.000 0.800 827 S HN 0.628 nan 8.310 nan 0.000 0.484 828 R N 1.516 122.006 120.500 -0.018 0.000 2.062 828 R HA 0.011 4.352 4.340 0.002 0.000 0.231 828 R C 2.697 178.962 176.300 -0.058 0.000 1.136 828 R CA 1.331 57.400 56.100 -0.052 0.000 0.948 828 R CB -0.487 29.797 30.300 -0.027 0.000 0.845 828 R HN 0.493 nan 8.270 nan 0.000 0.430 829 R N 0.200 120.708 120.500 0.012 0.000 2.117 829 R HA -0.151 4.190 4.340 0.002 0.000 0.243 829 R C 2.091 178.388 176.300 -0.005 0.000 1.143 829 R CA 1.666 57.788 56.100 0.035 0.000 0.968 829 R CB -0.387 30.008 30.300 0.158 0.000 0.863 829 R HN 0.400 nan 8.270 nan 0.000 0.444 830 A N 0.590 123.420 122.820 0.017 0.000 1.902 830 A HA -0.102 4.219 4.320 0.002 0.000 0.217 830 A C 2.346 179.885 177.584 -0.076 0.000 1.181 830 A CA 1.681 53.751 52.037 0.055 0.000 0.623 830 A CB -0.716 18.410 19.000 0.210 0.000 0.818 830 A HN 0.551 nan 8.150 nan 0.000 0.443 831 A N -0.548 122.037 122.820 -0.392 0.000 1.898 831 A HA -0.174 4.147 4.320 0.002 0.000 0.216 831 A C 2.139 179.476 177.584 -0.413 0.000 1.181 831 A CA 1.500 52.983 52.037 -0.922 0.000 0.620 831 A CB -0.569 17.827 19.000 -1.007 0.000 0.819 831 A HN 0.656 nan 8.150 nan 0.000 0.442 832 Q N -0.222 119.437 119.800 -0.234 0.000 2.030 832 Q HA -0.135 4.206 4.340 0.002 0.000 0.204 832 Q C 2.139 178.097 176.000 -0.069 0.000 0.986 832 Q CA 1.494 57.221 55.803 -0.127 0.000 0.843 832 Q CB -0.450 28.234 28.738 -0.090 0.000 0.904 832 Q HN 0.651 nan 8.270 nan 0.000 0.420 833 L N 0.212 121.404 121.223 -0.052 0.000 2.079 833 L HA -0.220 4.121 4.340 0.002 0.000 0.210 833 L C 2.778 179.658 176.870 0.017 0.000 1.081 833 L CA 0.778 55.629 54.840 0.018 0.000 0.752 833 L CB -0.502 41.552 42.059 -0.009 0.000 0.896 833 L HN 0.437 nan 8.230 nan 0.000 0.433 834 C N 0.159 119.418 119.300 -0.068 0.000 2.440 834 C HA -0.043 4.418 4.460 0.002 0.000 0.278 834 C C 2.842 177.894 174.990 0.103 0.000 1.295 834 C CA 0.792 59.809 59.018 -0.002 0.000 1.738 834 C CB -1.199 26.617 27.740 0.127 0.000 1.987 834 C HN 0.642 nan 8.230 nan 0.000 0.492 835 G N 0.055 108.878 108.800 0.038 0.000 2.404 835 G HA2 0.006 3.967 3.960 0.002 0.000 0.215 835 G HA3 0.006 3.967 3.960 0.002 0.000 0.215 835 G C 1.988 176.949 174.900 0.102 0.000 1.174 835 G CA 0.965 46.117 45.100 0.086 0.000 0.780 835 G HN 0.699 nan 8.290 nan 0.000 0.537 836 A N 0.849 123.706 122.820 0.062 0.000 1.978 836 A HA 0.137 4.458 4.320 0.002 0.000 0.220 836 A C 2.637 180.250 177.584 0.047 0.000 1.170 836 A CA 2.120 54.188 52.037 0.051 0.000 0.636 836 A CB -0.955 18.072 19.000 0.046 0.000 0.810 836 A HN 0.508 nan 8.150 nan 0.000 0.448 837 G N -0.757 108.076 108.800 0.055 0.000 2.414 837 G HA2 -0.193 3.768 3.960 0.002 0.000 0.215 837 G HA3 -0.193 3.768 3.960 0.002 0.000 0.215 837 G C 1.506 176.584 174.900 0.296 0.000 1.188 837 G CA 1.461 46.559 45.100 -0.004 0.000 0.783 837 G HN 0.433 nan 8.290 nan 0.000 0.537 838 M N 1.713 121.569 119.600 0.426 0.000 2.159 838 M HA 0.199 4.680 4.480 0.002 0.000 0.263 838 M C 2.612 179.017 176.300 0.175 0.000 1.063 838 M CA 1.323 56.850 55.300 0.380 0.000 1.110 838 M CB -0.568 32.285 32.600 0.422 0.000 1.374 838 M HN 0.240 nan 8.290 nan 0.000 0.411 839 A N -0.279 122.624 122.820 0.139 0.000 1.908 839 A HA -0.009 4.312 4.320 0.002 0.000 0.218 839 A C 2.384 179.977 177.584 0.015 0.000 1.181 839 A CA 2.142 54.222 52.037 0.070 0.000 0.627 839 A CB -1.415 17.621 19.000 0.060 0.000 0.818 839 A HN 0.632 nan 8.150 nan 0.000 0.445 840 A N -0.604 122.217 122.820 0.002 0.000 1.902 840 A HA 0.010 4.331 4.320 0.002 0.000 0.217 840 A C 2.252 179.775 177.584 -0.102 0.000 1.181 840 A CA 1.779 53.784 52.037 -0.055 0.000 0.623 840 A CB -0.988 17.958 19.000 -0.090 0.000 0.818 840 A HN 0.369 nan 8.150 nan 0.000 0.443 841 V N 0.390 120.238 119.914 -0.110 0.000 2.220 841 V HA -0.294 3.826 4.120 0.002 0.000 0.246 841 V C 2.791 178.738 176.094 -0.246 0.000 1.049 841 V CA 2.298 64.425 62.300 -0.288 0.000 1.003 841 V CB -1.177 30.476 31.823 -0.283 0.000 0.634 841 V HN 0.621 nan 8.190 nan 0.000 0.444 842 V N -1.204 118.632 119.914 -0.129 0.000 2.380 842 V HA -0.285 3.836 4.120 0.002 0.000 0.251 842 V C 2.044 178.094 176.094 -0.073 0.000 1.063 842 V CA 2.679 64.923 62.300 -0.093 0.000 1.055 842 V CB -0.971 30.817 31.823 -0.059 0.000 0.657 842 V HN 0.507 nan 8.190 nan 0.000 0.455 843 D N 0.033 120.395 120.400 -0.063 0.000 2.312 843 D HA -0.056 4.585 4.640 0.002 0.000 0.211 843 D C 2.065 178.335 176.300 -0.051 0.000 0.964 843 D CA 1.188 55.161 54.000 -0.045 0.000 0.877 843 D CB -0.035 40.745 40.800 -0.033 0.000 0.924 843 D HN 0.659 nan 8.370 nan 0.000 0.515 844 K N 0.004 120.354 120.400 -0.083 0.000 2.098 844 K HA 0.059 4.380 4.320 0.002 0.000 0.203 844 K C 1.950 178.535 176.600 -0.024 0.000 1.051 844 K CA 0.560 56.809 56.287 -0.063 0.000 0.957 844 K CB 0.020 32.453 32.500 -0.111 0.000 0.738 844 K HN 0.048 nan 8.250 nan 0.000 0.447 845 I N 0.998 121.546 120.570 -0.037 0.000 2.454 845 I HA -0.256 3.915 4.170 0.002 0.000 0.254 845 I C 2.641 178.761 176.117 0.005 0.000 1.156 845 I CA 1.082 62.394 61.300 0.021 0.000 1.433 845 I CB -0.274 37.739 38.000 0.021 0.000 1.082 845 I HN 0.273 nan 8.210 nan 0.000 0.432 846 R N 1.291 121.783 120.500 -0.014 0.000 2.075 846 R HA -0.114 4.227 4.340 0.002 0.000 0.226 846 R C 2.016 178.312 176.300 -0.006 0.000 1.114 846 R CA 1.140 57.233 56.100 -0.012 0.000 0.972 846 R CB 0.041 30.330 30.300 -0.018 0.000 0.869 846 R HN 0.383 nan 8.270 nan 0.000 0.437 847 E N 0.140 120.336 120.200 -0.007 0.000 2.152 847 E HA -0.131 4.220 4.350 0.002 0.000 0.192 847 E C 1.619 178.221 176.600 0.003 0.000 0.983 847 E CA 0.999 57.397 56.400 -0.003 0.000 0.818 847 E CB -0.141 29.555 29.700 -0.006 0.000 0.758 847 E HN 0.530 nan 8.360 nan 0.000 0.467 848 N N 0.951 119.657 118.700 0.011 0.000 2.084 848 N HA -0.133 4.608 4.740 0.002 0.000 0.190 848 N C 1.447 176.962 175.510 0.010 0.000 1.030 848 N CA 0.720 53.780 53.050 0.017 0.000 0.849 848 N CB -0.020 38.489 38.487 0.036 0.000 1.012 848 N HN -0.052 nan 8.380 nan 0.000 0.423 849 R N 0.399 120.903 120.500 0.007 0.000 2.335 849 R HA 0.126 4.467 4.340 0.002 0.000 0.223 849 R C 0.562 176.861 176.300 -0.001 0.000 0.940 849 R CA 0.046 56.147 56.100 0.002 0.000 1.086 849 R CB 0.064 30.364 30.300 0.000 0.000 1.073 849 R HN 0.158 nan 8.270 nan 0.000 0.504 850 G N 1.347 110.147 108.800 -0.000 0.000 2.421 850 G HA2 -0.283 3.678 3.960 0.002 0.000 0.300 850 G HA3 -0.283 3.678 3.960 0.002 0.000 0.300 850 G C -0.056 174.842 174.900 -0.003 0.000 0.974 850 G CA 0.293 45.392 45.100 -0.002 0.000 1.062 850 G HN 0.223 nan 8.290 nan 0.000 0.514 851 L N -1.148 120.072 121.223 -0.005 0.000 2.358 851 L HA 0.514 4.855 4.340 0.002 0.000 0.268 851 L C 0.573 177.439 176.870 -0.006 0.000 1.032 851 L CA -0.892 53.945 54.840 -0.006 0.000 0.805 851 L CB 1.181 43.235 42.059 -0.008 0.000 1.253 851 L HN -0.043 nan 8.230 nan 0.000 0.452 852 D N 0.185 120.582 120.400 -0.006 0.000 2.398 852 D HA 0.210 4.851 4.640 0.002 0.000 0.210 852 D C -0.176 176.120 176.300 -0.006 0.000 1.094 852 D CA 0.370 54.367 54.000 -0.005 0.000 0.839 852 D CB 0.608 41.406 40.800 -0.004 0.000 0.963 852 D HN 0.268 nan 8.370 nan 0.000 0.506 853 R N 0.245 120.741 120.500 -0.008 0.000 2.647 853 R HA 0.354 4.695 4.340 0.002 0.000 0.260 853 R C -2.154 174.138 176.300 -0.012 0.000 1.154 853 R CA -0.637 55.458 56.100 -0.009 0.000 1.029 853 R CB 1.516 31.812 30.300 -0.007 0.000 1.262 853 R HN -0.031 nan 8.270 nan 0.000 0.437 854 L N 2.497 123.710 121.223 -0.017 0.000 2.386 854 L HA 0.679 5.020 4.340 0.002 0.000 0.271 854 L C -1.567 175.284 176.870 -0.031 0.000 0.993 854 L CA -0.366 54.460 54.840 -0.022 0.000 0.819 854 L CB 2.225 44.269 42.059 -0.024 0.000 1.294 854 L HN 0.510 nan 8.230 nan 0.000 0.414 855 N N 3.350 122.030 118.700 -0.034 0.000 2.417 855 N HA 0.738 5.479 4.740 0.002 0.000 0.274 855 N C -1.473 174.003 175.510 -0.057 0.000 0.987 855 N CA -0.260 52.764 53.050 -0.044 0.000 0.912 855 N CB 2.122 40.589 38.487 -0.034 0.000 1.177 855 N HN 0.558 nan 8.380 nan 0.000 0.490 856 V N 1.261 121.125 119.914 -0.084 0.000 2.969 856 V HA 0.696 4.817 4.120 0.002 0.000 0.304 856 V C -0.734 175.264 176.094 -0.160 0.000 1.192 856 V CA -0.559 61.680 62.300 -0.101 0.000 0.962 856 V CB 2.024 33.792 31.823 -0.092 0.000 1.045 856 V HN 0.743 nan 8.190 nan 0.000 0.428 857 T N 3.999 118.462 114.554 -0.152 0.000 2.925 857 T HA 0.789 5.140 4.350 0.002 0.000 0.285 857 T C -0.957 173.610 174.700 -0.221 0.000 1.021 857 T CA -0.507 61.469 62.100 -0.205 0.000 1.042 857 T CB 1.632 70.425 68.868 -0.126 0.000 1.037 857 T HN 0.775 nan 8.240 nan 0.000 0.481 858 V N 2.598 122.322 119.914 -0.317 0.000 2.495 858 V HA 0.700 4.821 4.120 0.002 0.000 0.298 858 V C 0.950 176.990 176.094 -0.092 0.000 1.031 858 V CA -0.744 61.418 62.300 -0.231 0.000 0.871 858 V CB 1.618 33.224 31.823 -0.362 0.000 0.988 858 V HN 1.195 nan 8.190 nan 0.000 0.432 859 G N 3.857 112.623 108.800 -0.056 0.000 2.339 859 G HA2 0.555 4.516 3.960 0.002 0.000 0.287 859 G HA3 0.555 4.516 3.960 0.002 0.000 0.287 859 G C -0.666 174.209 174.900 -0.040 0.000 1.163 859 G CA -0.160 44.922 45.100 -0.030 0.000 0.872 859 G HN 0.578 nan 8.290 nan 0.000 0.464 860 V N 2.111 121.992 119.914 -0.055 0.000 3.046 860 V HA 0.776 4.897 4.120 0.002 0.000 0.316 860 V C -0.609 175.393 176.094 -0.152 0.000 1.104 860 V CA -0.886 61.311 62.300 -0.172 0.000 1.006 860 V CB 2.268 33.827 31.823 -0.440 0.000 1.058 860 V HN 0.736 nan 8.190 nan 0.000 0.440 861 D N -0.504 119.789 120.400 -0.178 0.000 2.728 861 D HA 0.603 5.244 4.640 0.002 0.000 0.249 861 D C -0.649 175.617 176.300 -0.055 0.000 1.225 861 D CA 0.828 54.781 54.000 -0.078 0.000 0.748 861 D CB 2.160 42.930 40.800 -0.051 0.000 1.326 861 D HN 1.195 nan 8.370 nan 0.000 0.426 862 G N 0.006 108.806 108.800 -0.000 0.000 2.634 862 G HA2 0.186 4.147 3.960 0.002 0.000 0.568 862 G HA3 0.186 4.147 3.960 0.002 0.000 0.568 862 G C 0.767 175.687 174.900 0.033 0.000 1.495 862 G CA 0.505 45.607 45.100 0.004 0.000 0.903 862 G HN 0.614 nan 8.290 nan 0.000 0.646 863 T N 0.779 115.331 114.554 -0.004 0.000 2.665 863 T HA -0.215 4.136 4.350 0.002 0.000 0.268 863 T C 2.459 177.144 174.700 -0.025 0.000 1.035 863 T CA 2.054 64.147 62.100 -0.013 0.000 1.151 863 T CB -0.187 68.659 68.868 -0.037 0.000 0.862 863 T HN 1.138 nan 8.240 nan 0.000 0.438 864 L N 0.110 121.291 121.223 -0.070 0.000 2.042 864 L HA -0.009 4.332 4.340 0.002 0.000 0.210 864 L C 2.382 179.165 176.870 -0.144 0.000 1.076 864 L CA 1.668 56.421 54.840 -0.145 0.000 0.749 864 L CB -1.177 40.705 42.059 -0.295 0.000 0.893 864 L HN 0.411 nan 8.230 nan 0.000 0.432 865 Y N 0.059 120.226 120.300 -0.222 0.000 2.200 865 Y HA -0.229 4.322 4.550 0.002 0.000 0.290 865 Y C 2.425 178.320 175.900 -0.009 0.000 1.137 865 Y CA 1.982 60.017 58.100 -0.108 0.000 1.163 865 Y CB -0.024 38.420 38.460 -0.027 0.000 0.988 865 Y HN 0.179 nan 8.280 nan 0.000 0.518 866 K N -0.278 120.218 120.400 0.159 0.000 2.062 866 K HA -0.076 4.245 4.320 0.002 0.000 0.205 866 K C 1.865 178.459 176.600 -0.011 0.000 1.051 866 K CA 1.687 58.028 56.287 0.089 0.000 0.941 866 K CB -0.169 32.388 32.500 0.095 0.000 0.719 866 K HN 0.339 nan 8.250 nan 0.000 0.440 867 L N -0.225 120.984 121.223 -0.023 0.000 2.307 867 L HA 0.026 4.367 4.340 0.002 0.000 0.211 867 L C 1.363 178.187 176.870 -0.078 0.000 1.099 867 L CA 0.002 54.809 54.840 -0.055 0.000 0.816 867 L CB -0.306 41.716 42.059 -0.062 0.000 0.952 867 L HN 0.268 nan 8.230 nan 0.000 0.455 868 H N 3.136 122.130 119.070 -0.128 0.000 2.886 868 H HA 0.041 4.598 4.556 0.002 0.000 0.329 868 H C -1.485 173.738 175.328 -0.174 0.000 1.044 868 H CA -1.213 54.763 56.048 -0.120 0.000 1.456 868 H CB 1.649 31.370 29.762 -0.067 0.000 1.464 868 H HN -0.053 nan 8.280 nan 0.000 0.573 869 P HA -0.087 nan 4.420 nan 0.000 0.226 869 P C 0.074 177.038 177.300 -0.560 0.000 1.153 869 P CA 1.453 64.212 63.100 -0.568 0.000 0.777 869 P CB 0.458 31.683 31.700 -0.792 0.000 0.794 870 H N -4.536 114.660 119.070 0.210 0.000 3.643 870 H HA 0.207 4.764 4.556 0.002 0.000 0.256 870 H C 1.460 176.819 175.328 0.052 0.000 1.107 870 H CA -0.461 55.660 56.048 0.122 0.000 1.175 870 H CB -0.479 29.347 29.762 0.107 0.000 1.519 870 H HN -0.126 nan 8.280 nan 0.000 0.565 871 F N 2.790 122.788 119.950 0.081 0.000 2.032 871 F HA -0.362 4.166 4.527 0.001 0.000 0.297 871 F C 2.513 178.136 175.800 -0.295 0.000 1.125 871 F CA 2.282 60.167 58.000 -0.192 0.000 1.202 871 F CB -0.268 38.562 39.000 -0.284 0.000 0.958 871 F HN 0.165 nan 8.300 nan 0.000 0.491 872 S N 0.528 116.069 115.700 -0.266 0.000 2.365 872 S HA -0.335 4.136 4.470 0.002 0.000 0.225 872 S C 2.127 176.158 174.600 -0.948 0.000 1.039 872 S CA 1.418 59.174 58.200 -0.740 0.000 1.033 872 S CB -1.026 61.575 63.200 -0.997 0.000 0.887 872 S HN 0.590 nan 8.310 nan 0.000 0.447 873 R N 1.608 121.801 120.500 -0.513 0.000 2.082 873 R HA -0.058 4.283 4.340 0.002 0.000 0.234 873 R C 2.346 178.493 176.300 -0.255 0.000 1.136 873 R CA 2.027 57.938 56.100 -0.315 0.000 0.935 873 R CB -0.604 29.636 30.300 -0.101 0.000 0.842 873 R HN 0.515 nan 8.270 nan 0.000 0.430 874 I N 0.702 121.137 120.570 -0.226 0.000 2.361 874 I HA -0.281 3.890 4.170 0.002 0.000 0.251 874 I C 2.734 178.706 176.117 -0.241 0.000 1.133 874 I CA 0.967 62.148 61.300 -0.198 0.000 1.413 874 I CB -0.364 37.515 38.000 -0.202 0.000 1.073 874 I HN 0.433 nan 8.210 nan 0.000 0.424 875 M N 0.778 120.149 119.600 -0.380 0.000 2.064 875 M HA -0.217 4.264 4.480 0.002 0.000 0.260 875 M C 2.413 178.663 176.300 -0.083 0.000 1.073 875 M CA 2.135 57.253 55.300 -0.303 0.000 1.124 875 M CB -0.715 31.663 32.600 -0.369 0.000 1.326 875 M HN 0.292 nan 8.290 nan 0.000 0.410 876 H N -0.776 118.177 119.070 -0.196 0.000 2.353 876 H HA -0.246 4.311 4.556 0.002 0.000 0.298 876 H C 2.172 177.519 175.328 0.032 0.000 1.103 876 H CA 1.703 57.707 56.048 -0.074 0.000 1.293 876 H CB -0.196 29.523 29.762 -0.071 0.000 1.372 876 H HN 0.551 nan 8.280 nan 0.000 0.501 877 Q N 0.032 119.892 119.800 0.100 0.000 2.096 877 Q HA -0.141 4.200 4.340 0.002 0.000 0.204 877 Q C 2.229 178.258 176.000 0.048 0.000 0.982 877 Q CA 1.992 57.830 55.803 0.059 0.000 0.850 877 Q CB 0.153 28.894 28.738 0.004 0.000 0.901 877 Q HN 0.395 nan 8.270 nan 0.000 0.422 878 T N -0.255 114.312 114.554 0.022 0.000 2.821 878 T HA -0.088 4.263 4.350 0.002 0.000 0.267 878 T C 1.816 176.551 174.700 0.058 0.000 1.046 878 T CA 1.096 63.207 62.100 0.018 0.000 1.139 878 T CB -0.077 68.779 68.868 -0.020 0.000 0.871 878 T HN 0.062 nan 8.240 nan 0.000 0.454 879 V N 1.489 121.469 119.914 0.111 0.000 2.295 879 V HA -0.162 3.959 4.120 0.002 0.000 0.246 879 V C 2.456 178.615 176.094 0.108 0.000 1.049 879 V CA 1.747 64.134 62.300 0.145 0.000 1.024 879 V CB -0.505 31.480 31.823 0.270 0.000 0.648 879 V HN 0.399 nan 8.190 nan 0.000 0.447 880 K N -0.030 120.440 120.400 0.117 0.000 2.152 880 K HA -0.238 4.083 4.320 0.002 0.000 0.206 880 K C 2.158 178.790 176.600 0.053 0.000 1.048 880 K CA 1.883 58.220 56.287 0.084 0.000 0.933 880 K CB -0.132 32.422 32.500 0.091 0.000 0.721 880 K HN 0.528 nan 8.250 nan 0.000 0.447 881 E N -0.184 120.043 120.200 0.046 0.000 2.230 881 E HA -0.050 4.301 4.350 0.002 0.000 0.192 881 E C 1.614 178.228 176.600 0.023 0.000 0.987 881 E CA 0.535 56.952 56.400 0.028 0.000 0.841 881 E CB 0.222 29.934 29.700 0.019 0.000 0.783 881 E HN 0.353 nan 8.360 nan 0.000 0.481 882 L N -0.357 120.883 121.223 0.028 0.000 2.416 882 L HA 0.126 4.467 4.340 0.002 0.000 0.216 882 L C 0.668 177.549 176.870 0.019 0.000 1.098 882 L CA 0.286 55.138 54.840 0.021 0.000 0.840 882 L CB 0.526 42.599 42.059 0.023 0.000 0.981 882 L HN -0.141 nan 8.230 nan 0.000 0.462 883 S N 0.395 116.110 115.700 0.026 0.000 2.112 883 S HA 0.247 4.718 4.470 0.002 0.000 0.151 883 S C -1.804 172.807 174.600 0.018 0.000 1.723 883 S CA -0.692 57.519 58.200 0.018 0.000 1.263 883 S CB 1.028 64.239 63.200 0.018 0.000 1.194 883 S HN 0.033 nan 8.310 nan 0.000 0.419 884 P HA -0.012 nan 4.420 nan 0.000 0.230 884 P C 0.556 177.861 177.300 0.008 0.000 1.158 884 P CA 0.675 63.784 63.100 0.014 0.000 0.769 884 P CB 0.179 31.886 31.700 0.012 0.000 0.807 885 K N -1.116 119.286 120.400 0.004 0.000 2.404 885 K HA 0.152 4.473 4.320 0.002 0.000 0.194 885 K C 0.068 176.665 176.600 -0.005 0.000 1.023 885 K CA 0.047 56.334 56.287 -0.001 0.000 1.094 885 K CB 0.113 32.611 32.500 -0.003 0.000 0.841 885 K HN 0.191 nan 8.250 nan 0.000 0.523 886 C N 0.807 120.105 119.300 -0.005 0.000 2.455 886 C HA 0.293 4.754 4.460 0.002 0.000 0.320 886 C C 0.079 175.062 174.990 -0.013 0.000 1.226 886 C CA -1.294 57.715 59.018 -0.015 0.000 1.569 886 C CB 0.851 28.578 27.740 -0.021 0.000 2.200 886 C HN 0.390 nan 8.230 nan 0.000 0.491 887 N N 2.058 120.742 118.700 -0.026 0.000 2.816 887 N HA 0.392 5.132 4.740 0.002 0.000 0.236 887 N C -0.913 174.559 175.510 -0.064 0.000 1.076 887 N CA -0.078 52.956 53.050 -0.026 0.000 0.902 887 N CB 0.687 39.163 38.487 -0.019 0.000 1.149 887 N HN 0.511 nan 8.380 nan 0.000 0.506 888 V N 1.821 121.685 119.914 -0.083 0.000 2.686 888 V HA 0.374 4.495 4.120 0.002 0.000 0.295 888 V C 0.222 176.166 176.094 -0.251 0.000 1.057 888 V CA -0.338 61.832 62.300 -0.218 0.000 1.012 888 V CB 1.472 33.118 31.823 -0.295 0.000 1.006 888 V HN 0.579 nan 8.190 nan 0.000 0.477 889 S N 3.000 118.469 115.700 -0.385 0.000 2.536 889 S HA 0.770 5.241 4.470 0.002 0.000 0.287 889 S C -1.126 173.207 174.600 -0.445 0.000 1.101 889 S CA -0.517 57.530 58.200 -0.255 0.000 0.950 889 S CB 1.453 64.583 63.200 -0.117 0.000 1.056 889 S HN 0.376 nan 8.310 nan 0.000 0.481 890 F N 1.909 121.783 119.950 -0.127 0.000 2.402 890 F HA 0.551 5.079 4.527 0.001 0.000 0.355 890 F C -0.331 175.468 175.800 -0.001 0.000 1.123 890 F CA -0.852 57.104 58.000 -0.074 0.000 1.021 890 F CB 1.223 40.169 39.000 -0.089 0.000 1.160 890 F HN 0.403 nan 8.300 nan 0.000 0.451 891 L N 5.047 126.340 121.223 0.116 0.000 2.295 891 L HA 0.613 4.954 4.340 0.002 0.000 0.285 891 L C -1.156 175.775 176.870 0.101 0.000 1.035 891 L CA -0.688 54.208 54.840 0.094 0.000 0.806 891 L CB 1.189 43.270 42.059 0.038 0.000 1.214 891 L HN 0.592 nan 8.230 nan 0.000 0.426 892 L N 4.260 125.556 121.223 0.121 0.000 2.292 892 L HA 0.473 4.814 4.340 0.002 0.000 0.284 892 L C 0.150 177.058 176.870 0.062 0.000 1.065 892 L CA 0.320 55.223 54.840 0.105 0.000 0.806 892 L CB 1.484 43.646 42.059 0.172 0.000 1.175 892 L HN 0.773 nan 8.230 nan 0.000 0.431 893 S N 3.700 119.419 115.700 0.031 0.000 2.481 893 S HA 0.212 4.683 4.470 0.002 0.000 0.276 893 S C 0.555 175.168 174.600 0.022 0.000 1.247 893 S CA -0.188 58.023 58.200 0.017 0.000 1.053 893 S CB 0.313 63.510 63.200 -0.006 0.000 0.925 893 S HN 0.838 nan 8.310 nan 0.000 0.491 894 E N 2.892 123.104 120.200 0.021 0.000 2.489 894 E HA 0.085 4.436 4.350 0.002 0.000 0.204 894 E C -0.099 176.502 176.600 0.002 0.000 1.006 894 E CA -0.038 56.373 56.400 0.018 0.000 0.936 894 E CB 0.315 30.029 29.700 0.024 0.000 1.002 894 E HN 0.622 nan 8.360 nan 0.000 0.488 895 D N 0.340 120.735 120.400 -0.009 0.000 2.398 895 D HA 0.151 4.792 4.640 0.002 0.000 0.210 895 D C 0.768 177.052 176.300 -0.026 0.000 1.094 895 D CA 0.561 54.547 54.000 -0.023 0.000 0.839 895 D CB 0.940 41.716 40.800 -0.041 0.000 0.963 895 D HN 0.188 nan 8.370 nan 0.000 0.506 896 G N 0.381 109.169 108.800 -0.021 0.000 2.782 896 G HA2 -0.280 3.681 3.960 0.002 0.000 0.228 896 G HA3 -0.280 3.681 3.960 0.002 0.000 0.228 896 G C 0.953 175.835 174.900 -0.030 0.000 1.372 896 G CA -0.015 45.072 45.100 -0.023 0.000 0.862 896 G HN 0.067 nan 8.290 nan 0.000 0.547 897 S N 0.445 116.128 115.700 -0.029 0.000 2.423 897 S HA 0.023 4.494 4.470 0.002 0.000 0.231 897 S C 2.723 177.305 174.600 -0.031 0.000 1.014 897 S CA 1.959 60.140 58.200 -0.032 0.000 0.965 897 S CB -0.692 62.490 63.200 -0.030 0.000 0.785 897 S HN 1.705 nan 8.310 nan 0.000 0.495 898 G N 2.282 111.068 108.800 -0.023 0.000 2.649 898 G HA2 -0.361 3.600 3.960 0.002 0.000 0.220 898 G HA3 -0.361 3.600 3.960 0.002 0.000 0.220 898 G C 1.367 176.238 174.900 -0.049 0.000 1.189 898 G CA 1.297 46.384 45.100 -0.021 0.000 0.777 898 G HN 0.407 nan 8.290 nan 0.000 0.602 899 K N 0.380 120.736 120.400 -0.074 0.000 2.074 899 K HA -0.116 4.205 4.320 0.002 0.000 0.209 899 K C 2.687 179.206 176.600 -0.134 0.000 1.048 899 K CA 1.563 57.773 56.287 -0.129 0.000 0.926 899 K CB -0.629 31.767 32.500 -0.173 0.000 0.713 899 K HN 0.325 nan 8.250 nan 0.000 0.444 900 G N -0.064 108.681 108.800 -0.091 0.000 2.464 900 G HA2 -0.136 3.825 3.960 0.002 0.000 0.217 900 G HA3 -0.136 3.825 3.960 0.002 0.000 0.217 900 G C 1.514 176.368 174.900 -0.077 0.000 1.138 900 G CA 0.748 45.805 45.100 -0.072 0.000 0.793 900 G HN 0.396 nan 8.290 nan 0.000 0.539 901 A N 1.319 124.100 122.820 -0.065 0.000 1.898 901 A HA 0.313 4.634 4.320 0.002 0.000 0.216 901 A C 2.787 180.299 177.584 -0.121 0.000 1.181 901 A CA 2.098 54.105 52.037 -0.050 0.000 0.620 901 A CB -0.754 18.246 19.000 0.001 0.000 0.819 901 A HN 0.680 nan 8.150 nan 0.000 0.442 902 A N -0.474 122.239 122.820 -0.178 0.000 1.930 902 A HA 0.015 4.336 4.320 0.002 0.000 0.217 902 A C 2.035 179.266 177.584 -0.589 0.000 1.175 902 A CA 1.370 53.158 52.037 -0.415 0.000 0.627 902 A CB -0.554 18.274 19.000 -0.287 0.000 0.815 902 A HN 0.452 nan 8.150 nan 0.000 0.443 903 L N -0.790 120.246 121.223 -0.313 0.000 2.465 903 L HA -0.025 4.316 4.340 0.002 0.000 0.224 903 L C 1.984 178.755 176.870 -0.164 0.000 1.145 903 L CA 0.544 55.256 54.840 -0.213 0.000 0.834 903 L CB -0.165 41.845 42.059 -0.082 0.000 0.944 903 L HN 0.403 nan 8.230 nan 0.000 0.451 904 I N -1.916 118.555 120.570 -0.165 0.000 2.810 904 I HA -0.117 4.054 4.170 0.002 0.000 0.262 904 I C 2.265 178.324 176.117 -0.097 0.000 1.131 904 I CA 0.518 61.766 61.300 -0.087 0.000 1.453 904 I CB -0.077 37.897 38.000 -0.044 0.000 1.161 904 I HN 0.040 nan 8.210 nan 0.000 0.444 905 T N 1.269 115.718 114.554 -0.175 0.000 2.759 905 T HA -0.188 4.163 4.350 0.002 0.000 0.269 905 T C 2.052 176.713 174.700 -0.066 0.000 1.042 905 T CA 1.523 63.555 62.100 -0.112 0.000 1.140 905 T CB -0.279 68.499 68.868 -0.151 0.000 0.864 905 T HN 0.434 nan 8.240 nan 0.000 0.455 906 A N 0.916 123.548 122.820 -0.312 0.000 1.851 906 A HA -0.088 4.233 4.320 0.002 0.000 0.216 906 A C 2.605 180.244 177.584 0.092 0.000 1.195 906 A CA 1.609 53.653 52.037 0.012 0.000 0.622 906 A CB -1.195 17.761 19.000 -0.074 0.000 0.831 906 A HN 0.336 nan 8.150 nan 0.000 0.444 907 V N -0.058 119.868 119.914 0.021 0.000 2.343 907 V HA -0.193 3.928 4.120 0.002 0.000 0.247 907 V C 2.794 178.917 176.094 0.048 0.000 1.051 907 V CA 2.068 64.391 62.300 0.038 0.000 1.036 907 V CB -1.374 30.461 31.823 0.019 0.000 0.654 907 V HN 0.670 nan 8.190 nan 0.000 0.451 908 G N -0.365 108.462 108.800 0.044 0.000 2.529 908 G HA2 -0.276 3.685 3.960 0.002 0.000 0.219 908 G HA3 -0.276 3.685 3.960 0.002 0.000 0.219 908 G C 1.703 176.643 174.900 0.066 0.000 1.177 908 G CA 1.452 46.582 45.100 0.051 0.000 0.773 908 G HN 0.380 nan 8.290 nan 0.000 0.573 909 V N 0.954 120.932 119.914 0.106 0.000 2.255 909 V HA -0.210 3.911 4.120 0.002 0.000 0.247 909 V C 2.801 178.942 176.094 0.079 0.000 1.051 909 V CA 2.365 64.730 62.300 0.109 0.000 1.018 909 V CB -0.545 31.380 31.823 0.170 0.000 0.641 909 V HN 0.485 nan 8.190 nan 0.000 0.445 910 R N -0.133 120.418 120.500 0.085 0.000 2.170 910 R HA -0.166 4.174 4.340 0.002 0.000 0.242 910 R C 1.964 178.289 176.300 0.041 0.000 1.145 910 R CA 1.689 57.826 56.100 0.062 0.000 0.984 910 R CB -0.212 30.126 30.300 0.064 0.000 0.869 910 R HN 0.511 nan 8.270 nan 0.000 0.455 911 L N -0.552 120.693 121.223 0.036 0.000 2.477 911 L HA 0.104 4.445 4.340 0.002 0.000 0.220 911 L C 2.539 179.418 176.870 0.015 0.000 1.106 911 L CA 0.490 55.342 54.840 0.021 0.000 0.851 911 L CB -0.294 41.774 42.059 0.016 0.000 0.994 911 L HN 0.242 nan 8.230 nan 0.000 0.462 912 R N 0.227 120.741 120.500 0.022 0.000 2.080 912 R HA -0.060 4.281 4.340 0.002 0.000 0.222 912 R C 2.058 178.367 176.300 0.015 0.000 1.107 912 R CA 1.491 57.600 56.100 0.016 0.000 0.980 912 R CB -0.199 30.116 30.300 0.026 0.000 0.879 912 R HN 0.005 nan 8.270 nan 0.000 0.439 913 T N 0.554 115.122 114.554 0.023 0.000 2.821 913 T HA -0.086 4.265 4.350 0.002 0.000 0.267 913 T C 0.510 175.218 174.700 0.013 0.000 1.046 913 T CA 1.106 63.217 62.100 0.019 0.000 1.139 913 T CB -0.119 68.764 68.868 0.024 0.000 0.871 913 T HN 0.266 nan 8.240 nan 0.000 0.454 914 E N 0.000 120.208 120.200 0.014 0.000 2.725 914 E HA 0.000 4.351 4.350 0.002 0.000 0.291 914 E CA 0.000 56.406 56.400 0.010 0.000 0.976 914 E CB 0.000 29.707 29.700 0.012 0.000 0.812 914 E HN 0.000 nan 8.360 nan 0.000 0.440