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 1oh8_1_B DATA FIRST_RESID 14 DATA SEQUENCE MQQYLRLKAQ HPEILLFYRM GDFYELFYDD AKRASQLLDI SLTXXXXXXX DATA SEQUENCE XXXPMAGIPY HAVENYLAKL VNQGESVAIC EXXXXXXXXX XXXXRKVVRI DATA SEQUENCE VTPGTISDEA LLQERQDNLL AAIWQDSKGF GYATLDISSG RFRLSEPADR DATA SEQUENCE ETMAAELQRT NPAELLYAED FAEMSLIEGR RGLRRRPLWE FEIDTARQQL DATA SEQUENCE NLQFGTRDLV GFGVENAPRG LCAAGCLLQY AKDTQRTTLP HIRSITMERE DATA SEQUENCE QDSIIMDAAT RRNLEITQNL AGGAENTLAS VLDCTVTPMG SRMLKRWLHM DATA SEQUENCE PVRDTRVLLE RQQTIGALQD FTAGLQPVLR QVGDLERILA RLALRTARPR DATA SEQUENCE DLARMRHAFQ QLPELRAQLE TVDSAPVQAL REKMGEFAEL RDLLERAIID DATA SEQUENCE TPPVLVRDGG VIASGYNEEL DEWRALADGA TDYLERLEVR ERERTGLDTL DATA SEQUENCE KVGFNAVHGY YIQISRGQSH LAPINYMRRQ TLKNAERYII PELKEYEDKV DATA SEQUENCE LTSKGKALAL EKQLYEELFD LLLPHLEALQ QSASALAELD VLVNLAERAY DATA SEQUENCE TLNYTCPTFI DKPGIRITEG RHPVVEQVLN EPFIANPLNL SPQRRMLIIT DATA SEQUENCE GPNMGGKSTY MRQTALIALM AYIGSYVPAQ KVEIGPIDRI FTRVGXXXXX DATA SEQUENCE XXXXXTFMVE MTETANILHN ATEYSLVLMD EIGRGTSTYD GLSLAWACAE DATA SEQUENCE NLANKIKALT LFATHYFELT QLPEKMEGVA NVHLDALEHG DTIAFMHSVQ DATA SEQUENCE DGAASKSYGL AVAALAGVPK EVIKRARQKL RELESIS 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 14 M HA 0.000 nan 4.480 nan 0.000 0.227 14 M C 0.000 176.146 176.300 -0.257 0.000 1.140 14 M CA 0.000 55.184 55.300 -0.193 0.000 0.988 14 M CB 0.000 32.480 32.600 -0.201 0.000 1.302 15 Q N 1.151 120.868 119.800 -0.138 0.000 2.408 15 Q HA 0.066 4.007 4.340 -0.664 0.000 0.205 15 Q C 1.689 177.638 176.000 -0.085 0.000 0.919 15 Q CA 1.102 56.832 55.803 -0.122 0.000 0.932 15 Q CB 0.363 29.057 28.738 -0.073 0.000 1.058 15 Q HN 0.878 nan 8.270 nan 0.000 0.517 16 Q N 0.151 119.927 119.800 -0.041 0.000 2.432 16 Q HA -0.118 3.824 4.340 -0.664 0.000 0.205 16 Q C 1.571 177.608 176.000 0.060 0.000 0.945 16 Q CA 0.286 56.109 55.803 0.033 0.000 0.924 16 Q CB -0.019 28.782 28.738 0.104 0.000 1.016 16 Q HN 0.369 nan 8.270 nan 0.000 0.503 17 Y N 1.231 121.388 120.300 -0.239 0.000 2.163 17 Y HA -0.198 3.954 4.550 -0.664 0.000 0.288 17 Y C 1.479 177.266 175.900 -0.189 0.000 1.136 17 Y CA 1.907 59.814 58.100 -0.322 0.000 1.147 17 Y CB -0.205 37.690 38.460 -0.942 0.000 0.987 17 Y HN 0.196 nan 8.280 nan 0.000 0.509 18 L N 0.309 121.452 121.223 -0.133 0.000 1.994 18 L HA -0.150 3.791 4.340 -0.664 0.000 0.208 18 L C 2.632 179.391 176.870 -0.186 0.000 1.071 18 L CA 2.144 56.873 54.840 -0.186 0.000 0.745 18 L CB -1.160 40.817 42.059 -0.136 0.000 0.892 18 L HN 0.017 nan 8.230 nan 0.000 0.431 19 R N 0.516 120.947 120.500 -0.115 0.000 2.193 19 R HA -0.082 3.860 4.340 -0.664 0.000 0.229 19 R C 1.998 178.254 176.300 -0.074 0.000 1.110 19 R CA 1.230 57.286 56.100 -0.074 0.000 0.988 19 R CB -0.099 30.175 30.300 -0.043 0.000 0.871 19 R HN 0.497 nan 8.270 nan 0.000 0.458 20 L N 0.048 121.212 121.223 -0.099 0.000 2.728 20 L HA 0.185 4.127 4.340 -0.664 0.000 0.238 20 L C 1.482 178.283 176.870 -0.115 0.000 1.143 20 L CA 0.122 54.922 54.840 -0.065 0.000 0.937 20 L CB 0.219 42.278 42.059 -0.000 0.000 1.225 20 L HN -0.139 nan 8.230 nan 0.000 0.507 21 K N 1.151 121.409 120.400 -0.237 0.000 2.167 21 K HA 0.089 4.011 4.320 -0.664 0.000 0.203 21 K C 1.947 178.503 176.600 -0.073 0.000 1.052 21 K CA 1.540 57.698 56.287 -0.216 0.000 0.956 21 K CB -0.307 31.990 32.500 -0.338 0.000 0.735 21 K HN 0.339 nan 8.250 nan 0.000 0.451 22 A N 1.033 123.812 122.820 -0.069 0.000 1.915 22 A HA -0.352 3.569 4.320 -0.664 0.000 0.220 22 A C 2.173 179.726 177.584 -0.052 0.000 1.198 22 A CA 2.269 54.281 52.037 -0.042 0.000 0.647 22 A CB -0.887 18.089 19.000 -0.041 0.000 0.825 22 A HN 0.601 nan 8.150 nan 0.000 0.456 23 Q N -1.452 118.316 119.800 -0.053 0.000 2.096 23 Q HA -0.172 3.770 4.340 -0.664 0.000 0.208 23 Q C -0.047 175.750 176.000 -0.338 0.000 0.993 23 Q CA 1.600 57.329 55.803 -0.123 0.000 0.862 23 Q CB -0.081 28.669 28.738 0.020 0.000 0.915 23 Q HN 0.853 nan 8.270 nan 0.000 0.416 24 H N -1.763 117.299 119.070 -0.013 0.000 3.036 24 H HA 0.140 4.297 4.556 -0.664 0.000 0.295 24 H C -1.966 173.366 175.328 0.007 0.000 1.124 24 H CA -1.660 54.388 56.048 0.001 0.000 1.507 24 H CB 1.780 31.541 29.762 -0.001 0.000 1.591 24 H HN 0.164 nan 8.280 nan 0.000 0.510 25 P HA -0.103 nan 4.420 nan 0.000 0.217 25 P C 1.109 178.463 177.300 0.089 0.000 1.154 25 P CA 0.924 64.068 63.100 0.073 0.000 0.841 25 P CB 0.506 32.235 31.700 0.048 0.000 0.790 26 E N 0.837 121.089 120.200 0.087 0.000 2.365 26 E HA 0.075 4.027 4.350 -0.664 0.000 0.188 26 E C 0.073 176.722 176.600 0.082 0.000 1.102 26 E CA -0.051 56.397 56.400 0.080 0.000 0.927 26 E CB -0.640 29.098 29.700 0.065 0.000 1.073 26 E HN 0.331 nan 8.360 nan 0.000 0.467 27 I N 1.125 121.749 120.570 0.089 0.000 2.686 27 I HA 0.248 4.020 4.170 -0.664 0.000 0.295 27 I C 0.025 176.182 176.117 0.066 0.000 1.114 27 I CA -1.223 60.112 61.300 0.059 0.000 1.038 27 I CB 2.194 40.215 38.000 0.035 0.000 1.238 27 I HN -0.076 nan 8.210 nan 0.000 0.420 28 L N 5.302 126.550 121.223 0.042 0.000 2.499 28 L HA 0.093 4.035 4.340 -0.664 0.000 0.273 28 L C -0.405 176.515 176.870 0.084 0.000 1.195 28 L CA -0.043 54.851 54.840 0.089 0.000 0.882 28 L CB 0.337 42.433 42.059 0.061 0.000 1.133 28 L HN 0.363 nan 8.230 nan 0.000 0.483 29 L N 5.158 126.531 121.223 0.251 0.000 2.313 29 L HA 0.442 4.383 4.340 -0.664 0.000 0.273 29 L C -0.546 176.670 176.870 0.576 0.000 1.028 29 L CA -0.046 54.979 54.840 0.310 0.000 0.871 29 L CB 0.243 42.468 42.059 0.276 0.000 1.242 29 L HN 0.146 nan 8.230 nan 0.000 0.434 30 F N 4.481 124.549 119.950 0.198 0.000 2.504 30 F HA 0.200 4.328 4.527 -0.664 0.000 0.369 30 F C -0.100 175.930 175.800 0.384 0.000 1.082 30 F CA -0.101 58.033 58.000 0.223 0.000 1.216 30 F CB 0.049 39.010 39.000 -0.066 0.000 1.108 30 F HN 0.410 nan 8.300 nan 0.000 0.554 31 Y N 3.054 123.688 120.300 0.557 0.000 2.425 31 Y HA 0.506 4.658 4.550 -0.664 0.000 0.344 31 Y C -0.286 175.882 175.900 0.448 0.000 0.969 31 Y CA -1.413 56.987 58.100 0.499 0.000 1.052 31 Y CB 1.065 39.852 38.460 0.545 0.000 1.215 31 Y HN 0.520 nan 8.280 nan 0.000 0.451 32 R N 5.306 125.860 120.500 0.090 0.000 2.298 32 R HA 0.390 4.331 4.340 -0.664 0.000 0.310 32 R C -1.331 175.030 176.300 0.101 0.000 1.068 32 R CA 0.119 56.214 56.100 -0.009 0.000 0.957 32 R CB 0.272 30.493 30.300 -0.133 0.000 1.003 32 R HN 0.675 nan 8.270 nan 0.000 0.454 33 M N 4.911 124.579 119.600 0.113 0.000 1.956 33 M HA 0.257 4.339 4.480 -0.664 0.000 0.256 33 M C 0.386 176.727 176.300 0.068 0.000 0.869 33 M CA -0.064 55.318 55.300 0.137 0.000 0.886 33 M CB 0.832 33.551 32.600 0.197 0.000 1.739 33 M HN 0.883 nan 8.290 nan 0.000 0.381 34 G N 3.372 112.178 108.800 0.009 0.000 2.536 34 G HA2 -0.271 3.291 3.960 -0.664 0.000 0.277 34 G HA3 -0.271 3.291 3.960 -0.664 0.000 0.277 34 G C 0.005 174.866 174.900 -0.065 0.000 1.155 34 G CA 0.427 45.528 45.100 0.002 0.000 0.960 34 G HN 0.536 nan 8.290 nan 0.000 0.544 35 D N 0.986 121.401 120.400 0.025 0.000 2.388 35 D HA 0.515 4.757 4.640 -0.664 0.000 0.221 35 D C 0.389 176.446 176.300 -0.405 0.000 1.133 35 D CA 0.259 54.148 54.000 -0.184 0.000 0.831 35 D CB 0.061 40.742 40.800 -0.197 0.000 0.962 35 D HN 0.246 nan 8.370 nan 0.000 0.502 36 F N -0.840 118.983 119.950 -0.212 0.000 2.679 36 F HA 0.477 4.606 4.527 -0.664 0.000 0.341 36 F C -0.676 174.929 175.800 -0.325 0.000 1.095 36 F CA -1.230 56.649 58.000 -0.203 0.000 1.004 36 F CB 1.242 40.165 39.000 -0.128 0.000 1.388 36 F HN -0.311 nan 8.300 nan 0.000 0.505 37 Y N 1.167 121.521 120.300 0.090 0.000 2.749 37 Y HA 0.255 4.407 4.550 -0.664 0.000 0.343 37 Y C -0.331 175.526 175.900 -0.071 0.000 1.015 37 Y CA -1.131 56.969 58.100 -0.000 0.000 1.270 37 Y CB 0.401 38.757 38.460 -0.173 0.000 1.097 37 Y HN 0.357 nan 8.280 nan 0.000 0.571 38 E N 2.654 122.964 120.200 0.184 0.000 2.392 38 E HA 0.437 4.389 4.350 -0.664 0.000 0.259 38 E C -1.048 175.570 176.600 0.030 0.000 1.108 38 E CA -0.510 55.878 56.400 -0.021 0.000 0.916 38 E CB 1.680 31.293 29.700 -0.145 0.000 0.989 38 E HN 0.340 nan 8.360 nan 0.000 0.432 39 L N 1.433 122.521 121.223 -0.226 0.000 2.401 39 L HA 0.490 4.432 4.340 -0.664 0.000 0.266 39 L C -0.738 175.913 176.870 -0.366 0.000 0.991 39 L CA -0.372 54.450 54.840 -0.029 0.000 0.818 39 L CB 1.137 43.253 42.059 0.095 0.000 1.321 39 L HN 0.473 nan 8.230 nan 0.000 0.413 40 F N 0.343 120.214 119.950 -0.133 0.000 2.654 40 F HA 0.633 4.761 4.527 -0.664 0.000 0.334 40 F C -0.013 175.879 175.800 0.153 0.000 1.078 40 F CA -0.554 57.350 58.000 -0.160 0.000 0.986 40 F CB 0.931 39.545 39.000 -0.642 0.000 1.362 40 F HN 0.260 nan 8.300 nan 0.000 0.498 41 Y N 0.640 121.053 120.300 0.188 0.000 2.822 41 Y HA -0.398 3.754 4.550 -0.664 0.000 0.451 41 Y C 1.670 177.644 175.900 0.124 0.000 1.167 41 Y CA 1.055 59.248 58.100 0.156 0.000 2.436 41 Y CB -1.376 37.205 38.460 0.201 0.000 1.199 41 Y HN 0.701 nan 8.280 nan 0.000 0.647 42 D N -0.104 120.436 120.400 0.232 0.000 2.239 42 D HA -0.143 4.099 4.640 -0.664 0.000 0.202 42 D C 1.286 177.678 176.300 0.153 0.000 0.993 42 D CA 1.849 55.929 54.000 0.133 0.000 0.874 42 D CB -0.232 40.641 40.800 0.122 0.000 0.922 42 D HN 0.444 nan 8.370 nan 0.000 0.464 43 D N -0.786 119.744 120.400 0.217 0.000 2.277 43 D HA 0.088 4.329 4.640 -0.664 0.000 0.208 43 D C 1.907 178.306 176.300 0.166 0.000 0.962 43 D CA 0.713 54.836 54.000 0.205 0.000 0.865 43 D CB -0.100 40.867 40.800 0.278 0.000 0.939 43 D HN 0.212 nan 8.370 nan 0.000 0.510 44 A N 0.519 123.417 122.820 0.130 0.000 1.898 44 A HA -0.104 3.817 4.320 -0.664 0.000 0.214 44 A C 2.016 179.632 177.584 0.053 0.000 1.183 44 A CA 0.953 53.027 52.037 0.062 0.000 0.622 44 A CB -0.252 18.743 19.000 -0.008 0.000 0.824 44 A HN 0.029 nan 8.150 nan 0.000 0.444 45 K N -0.395 120.038 120.400 0.053 0.000 2.034 45 K HA -0.250 3.671 4.320 -0.664 0.000 0.214 45 K C 2.388 179.020 176.600 0.053 0.000 1.051 45 K CA 2.134 58.446 56.287 0.041 0.000 0.931 45 K CB -0.189 32.332 32.500 0.036 0.000 0.715 45 K HN 0.532 nan 8.250 nan 0.000 0.446 46 R N 0.021 120.563 120.500 0.070 0.000 2.115 46 R HA -0.036 3.906 4.340 -0.664 0.000 0.226 46 R C 1.940 178.293 176.300 0.089 0.000 1.100 46 R CA 1.343 57.489 56.100 0.076 0.000 0.980 46 R CB -0.164 30.185 30.300 0.082 0.000 0.875 46 R HN 0.170 nan 8.270 nan 0.000 0.445 47 A N 0.493 123.378 122.820 0.108 0.000 2.016 47 A HA -0.076 3.846 4.320 -0.664 0.000 0.217 47 A C 2.126 179.777 177.584 0.111 0.000 1.162 47 A CA 1.256 53.374 52.037 0.136 0.000 0.662 47 A CB -0.405 18.703 19.000 0.181 0.000 0.812 47 A HN 0.569 nan 8.150 nan 0.000 0.450 48 S N -0.796 114.949 115.700 0.074 0.000 2.446 48 S HA -0.135 3.937 4.470 -0.664 0.000 0.225 48 S C 1.833 176.469 174.600 0.060 0.000 1.016 48 S CA 1.082 59.316 58.200 0.058 0.000 0.943 48 S CB -0.327 62.890 63.200 0.028 0.000 0.786 48 S HN 0.633 nan 8.310 nan 0.000 0.508 49 Q N -0.112 119.723 119.800 0.058 0.000 2.444 49 Q HA 0.270 4.212 4.340 -0.664 0.000 0.206 49 Q C 1.444 177.478 176.000 0.057 0.000 0.948 49 Q CA 0.445 56.279 55.803 0.051 0.000 0.946 49 Q CB -0.017 28.748 28.738 0.045 0.000 1.027 49 Q HN 0.630 nan 8.270 nan 0.000 0.513 50 L N -1.116 120.151 121.223 0.073 0.000 2.653 50 L HA 0.154 4.096 4.340 -0.664 0.000 0.230 50 L C 1.313 178.233 176.870 0.082 0.000 1.055 50 L CA 0.180 55.065 54.840 0.074 0.000 0.880 50 L CB 0.496 42.606 42.059 0.086 0.000 1.195 50 L HN 0.182 nan 8.230 nan 0.000 0.492 51 L N -1.258 120.033 121.223 0.113 0.000 2.766 51 L HA 0.215 4.156 4.340 -0.664 0.000 0.242 51 L C -0.369 176.592 176.870 0.152 0.000 1.136 51 L CA -0.130 54.800 54.840 0.150 0.000 0.933 51 L CB 0.443 42.665 42.059 0.272 0.000 1.241 51 L HN 0.102 nan 8.230 nan 0.000 0.522 52 D N 2.098 122.561 120.400 0.106 0.000 2.956 52 D HA -0.147 4.095 4.640 -0.664 0.000 0.240 52 D C -0.556 175.811 176.300 0.112 0.000 1.141 52 D CA 0.976 55.030 54.000 0.091 0.000 0.820 52 D CB -0.704 40.139 40.800 0.073 0.000 0.988 52 D HN 0.313 nan 8.370 nan 0.000 0.417 53 I N -2.464 118.157 120.570 0.085 0.000 3.174 53 I HA 0.489 4.261 4.170 -0.664 0.000 0.313 53 I C 0.380 176.508 176.117 0.017 0.000 1.155 53 I CA -1.108 60.222 61.300 0.049 0.000 0.977 53 I CB 1.992 40.008 38.000 0.026 0.000 1.248 53 I HN -0.188 nan 8.210 nan 0.000 0.453 54 S N 2.247 117.941 115.700 -0.009 0.000 2.616 54 S HA 0.672 4.744 4.470 -0.664 0.000 0.277 54 S C -0.528 174.047 174.600 -0.042 0.000 1.234 54 S CA -0.718 57.469 58.200 -0.021 0.000 1.028 54 S CB 1.450 64.633 63.200 -0.028 0.000 0.988 54 S HN 0.573 nan 8.310 nan 0.000 0.522 55 L N 1.572 122.772 121.223 -0.038 0.000 2.305 55 L HA 0.757 4.699 4.340 -0.664 0.000 0.284 55 L C -0.421 176.414 176.870 -0.058 0.000 1.013 55 L CA -0.289 54.520 54.840 -0.053 0.000 0.819 55 L CB 1.369 43.409 42.059 -0.031 0.000 1.227 55 L HN 0.553 nan 8.230 nan 0.000 0.417 68 M N 1.410 120.855 119.600 -0.259 0.000 2.114 68 M HA 0.773 4.854 4.480 -0.664 0.000 0.280 68 M C -0.718 175.396 176.300 -0.310 0.000 1.209 68 M CA 0.149 55.170 55.300 -0.464 0.000 1.044 68 M CB 1.226 33.597 32.600 -0.382 0.000 1.404 68 M HN 0.419 nan 8.290 nan 0.000 0.499 69 A N 0.762 123.390 122.820 -0.321 0.000 2.436 69 A HA 0.544 4.466 4.320 -0.664 0.000 0.295 69 A C -0.831 176.635 177.584 -0.197 0.000 0.971 69 A CA -0.173 51.745 52.037 -0.197 0.000 0.803 69 A CB -0.350 18.577 19.000 -0.121 0.000 1.045 69 A HN 1.198 nan 8.150 nan 0.000 0.363 70 G N 0.327 109.031 108.800 -0.160 0.000 2.660 70 G HA2 0.853 4.414 3.960 -0.664 0.000 0.290 70 G HA3 0.853 4.414 3.960 -0.664 0.000 0.290 70 G C -0.794 174.048 174.900 -0.096 0.000 1.432 70 G CA 0.088 45.112 45.100 -0.127 0.000 0.807 70 G HN 2.018 nan 8.290 nan 0.000 0.485 71 I N -1.692 118.820 120.570 -0.096 0.000 2.892 71 I HA 0.795 4.566 4.170 -0.664 0.000 0.306 71 I C -2.765 173.266 176.117 -0.143 0.000 1.078 71 I CA -3.016 58.147 61.300 -0.228 0.000 1.032 71 I CB 2.866 40.579 38.000 -0.478 0.000 1.229 71 I HN 0.289 nan 8.210 nan 0.000 0.435 72 P HA 0.103 nan 4.420 nan 0.000 0.276 72 P C -0.379 176.842 177.300 -0.132 0.000 1.244 72 P CA 0.039 62.863 63.100 -0.461 0.000 0.801 72 P CB 0.998 32.481 31.700 -0.360 0.000 1.006 73 Y N 1.143 121.304 120.300 -0.232 0.000 2.286 73 Y HA -0.110 4.042 4.550 -0.663 0.000 0.293 73 Y C 2.089 178.049 175.900 0.099 0.000 1.124 73 Y CA 1.588 59.666 58.100 -0.036 0.000 1.178 73 Y CB -0.587 37.800 38.460 -0.122 0.000 1.010 73 Y HN 0.488 nan 8.280 nan 0.000 0.536 74 H N -0.684 118.322 119.070 -0.107 0.000 2.566 74 H HA 0.385 4.543 4.556 -0.664 0.000 0.280 74 H C 0.395 175.671 175.328 -0.087 0.000 1.042 74 H CA 0.270 56.234 56.048 -0.140 0.000 1.168 74 H CB 0.098 29.837 29.762 -0.039 0.000 1.340 74 H HN 0.368 nan 8.280 nan 0.000 0.597 75 A N -0.090 122.740 122.820 0.016 0.000 2.538 75 A HA 0.140 4.062 4.320 -0.664 0.000 0.276 75 A C 1.503 179.187 177.584 0.166 0.000 0.908 75 A CA -0.184 51.892 52.037 0.065 0.000 1.042 75 A CB -0.385 18.694 19.000 0.132 0.000 1.218 75 A HN 0.209 nan 8.150 nan 0.000 0.517 76 V N -0.008 119.966 119.914 0.099 0.000 2.490 76 V HA -0.157 3.565 4.120 -0.664 0.000 0.250 76 V C 1.912 178.104 176.094 0.163 0.000 1.061 76 V CA 1.871 64.277 62.300 0.177 0.000 1.064 76 V CB -0.630 31.293 31.823 0.166 0.000 0.670 76 V HN 0.509 nan 8.190 nan 0.000 0.461 77 E N 0.397 120.637 120.200 0.067 0.000 2.516 77 E HA -0.043 3.908 4.350 -0.664 0.000 0.199 77 E C 1.582 178.199 176.600 0.027 0.000 1.069 77 E CA 0.386 56.805 56.400 0.031 0.000 0.876 77 E CB -0.219 29.474 29.700 -0.012 0.000 0.843 77 E HN 0.738 nan 8.360 nan 0.000 0.530 78 N N -0.433 118.296 118.700 0.049 0.000 2.511 78 N HA -0.012 4.330 4.740 -0.664 0.000 0.190 78 N C 1.062 176.545 175.510 -0.045 0.000 1.037 78 N CA 0.165 53.191 53.050 -0.039 0.000 0.895 78 N CB 0.054 38.470 38.487 -0.119 0.000 1.149 78 N HN 0.143 nan 8.380 nan 0.000 0.437 79 Y N 1.509 121.847 120.300 0.063 0.000 2.688 79 Y HA 0.082 4.234 4.550 -0.663 0.000 0.311 79 Y C 1.936 177.950 175.900 0.190 0.000 1.185 79 Y CA 0.309 58.479 58.100 0.117 0.000 1.336 79 Y CB 0.033 38.561 38.460 0.113 0.000 1.015 79 Y HN 0.130 nan 8.280 nan 0.000 0.522 80 L N -1.656 119.701 121.223 0.223 0.000 2.347 80 L HA 0.096 4.038 4.340 -0.664 0.000 0.196 80 L C 2.431 179.321 176.870 0.034 0.000 1.072 80 L CA 0.801 55.708 54.840 0.112 0.000 0.817 80 L CB -0.551 41.541 42.059 0.054 0.000 1.029 80 L HN 0.173 nan 8.230 nan 0.000 0.478 81 A N -0.039 122.790 122.820 0.014 0.000 2.131 81 A HA -0.264 3.657 4.320 -0.664 0.000 0.220 81 A C 2.129 179.704 177.584 -0.015 0.000 1.158 81 A CA 1.958 53.987 52.037 -0.013 0.000 0.665 81 A CB -0.293 18.691 19.000 -0.026 0.000 0.795 81 A HN 0.307 nan 8.150 nan 0.000 0.460 82 K N -0.864 119.532 120.400 -0.008 0.000 2.308 82 K HA 0.301 4.222 4.320 -0.664 0.000 0.197 82 K C 1.606 178.219 176.600 0.022 0.000 1.049 82 K CA 0.267 56.545 56.287 -0.014 0.000 0.991 82 K CB -0.110 32.354 32.500 -0.061 0.000 0.836 82 K HN 0.431 nan 8.250 nan 0.000 0.500 83 L N 0.025 121.279 121.223 0.052 0.000 2.131 83 L HA -0.077 3.865 4.340 -0.664 0.000 0.206 83 L C 1.984 178.862 176.870 0.014 0.000 1.087 83 L CA 0.543 55.414 54.840 0.052 0.000 0.767 83 L CB -0.179 41.921 42.059 0.069 0.000 0.917 83 L HN -0.031 nan 8.230 nan 0.000 0.441 84 V N 0.084 119.995 119.914 -0.004 0.000 2.515 84 V HA -0.282 3.439 4.120 -0.664 0.000 0.250 84 V C 2.192 178.283 176.094 -0.006 0.000 1.058 84 V CA 1.818 64.109 62.300 -0.015 0.000 1.064 84 V CB -0.741 31.065 31.823 -0.028 0.000 0.675 84 V HN 0.549 nan 8.190 nan 0.000 0.461 85 N N 0.288 118.985 118.700 -0.004 0.000 2.166 85 N HA -0.181 4.161 4.740 -0.664 0.000 0.186 85 N C 1.326 176.839 175.510 0.004 0.000 1.019 85 N CA 0.979 54.027 53.050 -0.003 0.000 0.856 85 N CB 0.076 38.559 38.487 -0.008 0.000 0.993 85 N HN 0.609 nan 8.380 nan 0.000 0.426 86 Q N -0.230 119.577 119.800 0.011 0.000 2.217 86 Q HA 0.186 4.128 4.340 -0.664 0.000 0.226 86 Q C 0.319 176.331 176.000 0.020 0.000 0.875 86 Q CA 0.060 55.873 55.803 0.017 0.000 0.974 86 Q CB 0.720 29.474 28.738 0.025 0.000 1.079 86 Q HN 0.377 nan 8.270 nan 0.000 0.463 87 G N 1.721 110.531 108.800 0.016 0.000 2.225 87 G HA2 -0.206 3.356 3.960 -0.664 0.000 0.264 87 G HA3 -0.206 3.356 3.960 -0.664 0.000 0.264 87 G C -0.462 174.451 174.900 0.022 0.000 1.060 87 G CA -0.107 45.004 45.100 0.019 0.000 0.833 87 G HN 0.259 nan 8.290 nan 0.000 0.498 88 E N 0.577 120.785 120.200 0.012 0.000 2.155 88 E HA 0.458 4.409 4.350 -0.664 0.000 0.264 88 E C 0.132 176.718 176.600 -0.023 0.000 0.886 88 E CA -0.355 56.048 56.400 0.006 0.000 0.752 88 E CB 1.523 31.231 29.700 0.012 0.000 1.133 88 E HN 0.228 nan 8.360 nan 0.000 0.414 89 S N 1.104 116.793 115.700 -0.018 0.000 2.585 89 S HA 0.398 4.469 4.470 -0.664 0.000 0.273 89 S C 0.298 174.830 174.600 -0.114 0.000 1.339 89 S CA -0.524 57.647 58.200 -0.049 0.000 1.028 89 S CB 1.003 64.198 63.200 -0.009 0.000 0.906 89 S HN 0.242 nan 8.310 nan 0.000 0.528 90 V N 0.632 120.429 119.914 -0.195 0.000 3.040 90 V HA 0.884 4.606 4.120 -0.664 0.000 0.312 90 V C -0.532 175.373 176.094 -0.314 0.000 1.115 90 V CA -0.901 61.191 62.300 -0.347 0.000 0.998 90 V CB 2.062 33.539 31.823 -0.577 0.000 1.042 90 V HN 0.969 nan 8.190 nan 0.000 0.433 91 A N 3.310 125.934 122.820 -0.327 0.000 2.446 91 A HA 0.784 4.706 4.320 -0.664 0.000 0.282 91 A C -1.046 176.459 177.584 -0.131 0.000 1.102 91 A CA -0.419 51.486 52.037 -0.220 0.000 0.737 91 A CB 0.658 19.547 19.000 -0.185 0.000 1.212 91 A HN 0.519 nan 8.150 nan 0.000 0.434 92 I N 0.499 120.997 120.570 -0.119 0.000 2.662 92 I HA 0.489 4.260 4.170 -0.664 0.000 0.291 92 I C 0.416 176.564 176.117 0.051 0.000 1.046 92 I CA -1.093 60.188 61.300 -0.030 0.000 1.361 92 I CB 1.058 39.001 38.000 -0.095 0.000 1.429 92 I HN 0.673 nan 8.210 nan 0.000 0.558 93 C N 5.534 124.913 119.300 0.131 0.000 2.599 93 C HA 0.547 4.608 4.460 -0.664 0.000 0.354 93 C C -0.259 174.712 174.990 -0.032 0.000 1.092 93 C CA -0.341 58.706 59.018 0.047 0.000 1.280 93 C CB 0.637 28.422 27.740 0.075 0.000 1.829 93 C HN 0.854 nan 8.230 nan 0.000 0.454 109 K N 1.268 121.667 120.400 -0.003 0.000 2.313 109 K HA 0.525 4.447 4.320 -0.664 0.000 0.235 109 K C -0.728 175.880 176.600 0.013 0.000 1.035 109 K CA -0.734 55.562 56.287 0.014 0.000 0.868 109 K CB 1.717 34.229 32.500 0.020 0.000 1.232 109 K HN 0.206 nan 8.250 nan 0.000 0.459 110 V N 2.679 122.610 119.914 0.029 0.000 2.425 110 V HA -0.032 3.689 4.120 -0.664 0.000 0.276 110 V C 0.979 177.070 176.094 -0.004 0.000 1.017 110 V CA 0.011 62.319 62.300 0.013 0.000 1.062 110 V CB 0.773 32.603 31.823 0.012 0.000 0.997 110 V HN 0.677 nan 8.190 nan 0.000 0.476 111 V N 5.272 125.183 119.914 -0.006 0.000 3.085 111 V HA 0.226 3.948 4.120 -0.664 0.000 0.245 111 V C 0.895 176.976 176.094 -0.021 0.000 1.114 111 V CA 0.784 63.082 62.300 -0.003 0.000 1.108 111 V CB 0.371 32.205 31.823 0.018 0.000 0.798 111 V HN 0.876 nan 8.190 nan 0.000 0.471 112 R N -0.172 120.302 120.500 -0.043 0.000 2.651 112 R HA 0.627 4.569 4.340 -0.664 0.000 0.278 112 R C -1.773 174.454 176.300 -0.122 0.000 1.010 112 R CA -0.456 55.603 56.100 -0.068 0.000 0.896 112 R CB 1.812 32.084 30.300 -0.046 0.000 1.211 112 R HN 0.175 nan 8.270 nan 0.000 0.456 113 I N 4.772 125.258 120.570 -0.141 0.000 2.647 113 I HA 0.451 4.222 4.170 -0.664 0.000 0.295 113 I C -0.547 175.480 176.117 -0.151 0.000 1.078 113 I CA -1.213 59.978 61.300 -0.182 0.000 1.048 113 I CB 2.231 40.094 38.000 -0.228 0.000 1.239 113 I HN 0.543 nan 8.210 nan 0.000 0.421 114 V N 2.408 122.228 119.914 -0.156 0.000 2.960 114 V HA 0.929 4.650 4.120 -0.664 0.000 0.315 114 V C -0.447 175.587 176.094 -0.100 0.000 1.087 114 V CA -0.256 61.971 62.300 -0.121 0.000 0.982 114 V CB 2.042 33.798 31.823 -0.112 0.000 1.039 114 V HN 0.879 nan 8.190 nan 0.000 0.437 115 T N 0.198 114.713 114.554 -0.065 0.000 2.909 115 T HA 0.646 4.598 4.350 -0.664 0.000 0.299 115 T C -2.336 172.359 174.700 -0.008 0.000 1.073 115 T CA -1.606 60.483 62.100 -0.017 0.000 0.999 115 T CB 1.930 70.823 68.868 0.042 0.000 1.098 115 T HN 0.467 nan 8.240 nan 0.000 0.477 116 P HA -0.009 nan 4.420 nan 0.000 0.216 116 P C 1.644 178.947 177.300 0.005 0.000 1.157 116 P CA 1.678 64.779 63.100 0.002 0.000 0.880 116 P CB -0.284 31.422 31.700 0.010 0.000 0.791 117 G N -1.837 106.977 108.800 0.024 0.000 2.813 117 G HA2 -0.076 3.486 3.960 -0.664 0.000 0.209 117 G HA3 -0.076 3.486 3.960 -0.664 0.000 0.209 117 G C 1.043 175.947 174.900 0.006 0.000 1.150 117 G CA 1.097 46.208 45.100 0.019 0.000 0.785 117 G HN 0.411 nan 8.290 nan 0.000 0.535 118 T N -1.224 113.328 114.554 -0.003 0.000 3.044 118 T HA 0.370 4.321 4.350 -0.664 0.000 0.260 118 T C 0.993 175.667 174.700 -0.043 0.000 1.019 118 T CA -0.539 61.540 62.100 -0.035 0.000 0.921 118 T CB -0.303 68.522 68.868 -0.072 0.000 1.053 118 T HN 0.291 nan 8.240 nan 0.000 0.533 119 I N 0.638 121.186 120.570 -0.036 0.000 2.882 119 I HA 0.580 4.351 4.170 -0.664 0.000 0.286 119 I C 0.682 176.779 176.117 -0.033 0.000 1.139 119 I CA -0.525 60.752 61.300 -0.039 0.000 1.379 119 I CB 0.953 38.932 38.000 -0.036 0.000 1.410 119 I HN 0.149 nan 8.210 nan 0.000 0.594 120 S N 0.097 115.775 115.700 -0.037 0.000 3.067 120 S HA 0.286 4.357 4.470 -0.664 0.000 0.253 120 S C -0.364 174.213 174.600 -0.039 0.000 0.942 120 S CA -0.705 57.472 58.200 -0.038 0.000 1.197 120 S CB -0.417 62.754 63.200 -0.049 0.000 1.143 120 S HN 0.726 nan 8.310 nan 0.000 0.638 121 D N 2.511 122.890 120.400 -0.034 0.000 2.210 121 D HA 0.149 4.391 4.640 -0.664 0.000 0.249 121 D C 0.978 177.262 176.300 -0.027 0.000 1.062 121 D CA -0.160 53.823 54.000 -0.029 0.000 0.891 121 D CB 1.627 42.411 40.800 -0.025 0.000 1.186 121 D HN 0.540 nan 8.370 nan 0.000 0.432 122 E N 1.593 121.778 120.200 -0.025 0.000 2.274 122 E HA -0.124 3.828 4.350 -0.664 0.000 0.194 122 E C 1.360 177.944 176.600 -0.027 0.000 0.996 122 E CA 0.679 57.064 56.400 -0.026 0.000 0.840 122 E CB 0.155 29.840 29.700 -0.026 0.000 0.772 122 E HN 0.424 nan 8.360 nan 0.000 0.491 123 A N 1.398 124.202 122.820 -0.026 0.000 1.929 123 A HA -0.011 3.911 4.320 -0.664 0.000 0.216 123 A C 2.178 179.744 177.584 -0.029 0.000 1.176 123 A CA 0.849 52.869 52.037 -0.028 0.000 0.628 123 A CB -0.379 18.605 19.000 -0.027 0.000 0.816 123 A HN 0.328 nan 8.150 nan 0.000 0.444 124 L N -0.836 120.371 121.223 -0.027 0.000 2.446 124 L HA 0.195 4.137 4.340 -0.664 0.000 0.219 124 L C 0.311 177.166 176.870 -0.026 0.000 1.116 124 L CA -0.005 54.819 54.840 -0.027 0.000 0.844 124 L CB -0.342 41.700 42.059 -0.029 0.000 0.970 124 L HN 0.227 nan 8.230 nan 0.000 0.457 125 L N -0.081 121.126 121.223 -0.025 0.000 2.344 125 L HA 0.305 4.247 4.340 -0.664 0.000 0.272 125 L C -0.173 176.683 176.870 -0.023 0.000 1.035 125 L CA -0.525 54.302 54.840 -0.023 0.000 0.807 125 L CB 1.502 43.547 42.059 -0.022 0.000 1.237 125 L HN 0.019 nan 8.230 nan 0.000 0.442 126 Q N 0.751 120.539 119.800 -0.020 0.000 2.267 126 Q HA 0.042 3.984 4.340 -0.664 0.000 0.255 126 Q C 0.567 176.556 176.000 -0.018 0.000 0.923 126 Q CA -0.194 55.598 55.803 -0.019 0.000 0.925 126 Q CB 1.838 30.567 28.738 -0.015 0.000 1.195 126 Q HN 0.483 nan 8.270 nan 0.000 0.417 127 E N 3.139 123.326 120.200 -0.020 0.000 2.086 127 E HA -0.269 3.683 4.350 -0.664 0.000 0.205 127 E C -0.019 176.569 176.600 -0.020 0.000 1.027 127 E CA 1.748 58.135 56.400 -0.021 0.000 0.830 127 E CB 0.289 29.976 29.700 -0.022 0.000 0.751 127 E HN 0.472 nan 8.360 nan 0.000 0.456 128 R N 0.244 120.735 120.500 -0.016 0.000 3.135 128 R HA 0.342 4.284 4.340 -0.664 0.000 0.343 128 R C -0.515 175.780 176.300 -0.008 0.000 1.227 128 R CA -0.121 55.970 56.100 -0.015 0.000 1.227 128 R CB 0.625 30.916 30.300 -0.015 0.000 1.436 128 R HN 0.079 nan 8.270 nan 0.000 0.595 129 Q N 0.854 120.650 119.800 -0.007 0.000 2.281 129 Q HA 0.148 4.090 4.340 -0.664 0.000 0.263 129 Q C -1.443 174.556 176.000 -0.002 0.000 0.989 129 Q CA -0.617 55.185 55.803 -0.001 0.000 0.852 129 Q CB 2.357 31.094 28.738 -0.001 0.000 1.337 129 Q HN 0.189 nan 8.270 nan 0.000 0.418 130 D N 1.628 122.030 120.400 0.002 0.000 2.449 130 D HA 0.015 4.257 4.640 -0.664 0.000 0.236 130 D C -0.454 175.845 176.300 -0.000 0.000 1.149 130 D CA 0.774 54.776 54.000 0.003 0.000 0.878 130 D CB 0.698 41.505 40.800 0.011 0.000 1.198 130 D HN 0.356 nan 8.370 nan 0.000 0.446 131 N N 1.982 120.681 118.700 -0.001 0.000 2.609 131 N HA 0.253 4.595 4.740 -0.664 0.000 0.268 131 N C -1.398 174.109 175.510 -0.006 0.000 1.106 131 N CA -0.401 52.646 53.050 -0.004 0.000 0.823 131 N CB 0.422 38.905 38.487 -0.007 0.000 1.263 131 N HN 0.199 nan 8.380 nan 0.000 0.533 132 L N 1.661 122.882 121.223 -0.003 0.000 2.334 132 L HA 0.585 4.527 4.340 -0.664 0.000 0.275 132 L C -0.341 176.519 176.870 -0.016 0.000 1.036 132 L CA -1.359 53.474 54.840 -0.011 0.000 0.807 132 L CB 1.354 43.411 42.059 -0.004 0.000 1.231 132 L HN 0.311 nan 8.230 nan 0.000 0.438 133 L N 2.498 123.700 121.223 -0.034 0.000 2.312 133 L HA 0.763 4.704 4.340 -0.664 0.000 0.281 133 L C -0.137 176.690 176.870 -0.072 0.000 1.070 133 L CA 0.066 54.885 54.840 -0.034 0.000 0.805 133 L CB 1.106 43.149 42.059 -0.026 0.000 1.174 133 L HN 0.741 nan 8.230 nan 0.000 0.434 134 A N 4.108 126.883 122.820 -0.076 0.000 2.384 134 A HA 0.984 4.906 4.320 -0.664 0.000 0.312 134 A C -1.132 176.391 177.584 -0.102 0.000 1.113 134 A CA -0.165 51.778 52.037 -0.156 0.000 0.779 134 A CB 1.503 20.416 19.000 -0.145 0.000 1.307 134 A HN 1.170 nan 8.150 nan 0.000 0.436 135 A N 0.796 123.546 122.820 -0.118 0.000 2.393 135 A HA 0.764 4.686 4.320 -0.664 0.000 0.306 135 A C -0.957 176.753 177.584 0.210 0.000 1.050 135 A CA -0.353 51.718 52.037 0.056 0.000 0.724 135 A CB 0.894 19.922 19.000 0.048 0.000 1.248 135 A HN 1.246 nan 8.150 nan 0.000 0.424 136 I N 3.247 124.005 120.570 0.313 0.000 2.582 136 I HA 0.778 4.550 4.170 -0.664 0.000 0.292 136 I C -1.391 174.916 176.117 0.316 0.000 1.066 136 I CA -0.574 60.953 61.300 0.377 0.000 1.053 136 I CB 1.536 39.647 38.000 0.183 0.000 1.241 136 I HN 0.927 nan 8.210 nan 0.000 0.421 137 W N 6.775 128.179 121.300 0.173 0.000 2.988 137 W HA 0.523 4.784 4.660 -0.665 0.000 0.355 137 W C -2.494 174.190 176.519 0.275 0.000 1.233 137 W CA -0.884 56.508 57.345 0.077 0.000 1.176 137 W CB 1.487 30.698 29.460 -0.414 0.000 1.477 137 W HN 0.587 nan 8.180 nan 0.000 0.582 138 Q N 2.395 121.902 119.800 -0.489 0.000 2.269 138 Q HA 0.213 4.155 4.340 -0.664 0.000 0.263 138 Q C -0.961 174.442 176.000 -0.995 0.000 0.983 138 Q CA -0.424 54.913 55.803 -0.776 0.000 0.777 138 Q CB 1.997 30.392 28.738 -0.571 0.000 1.273 138 Q HN 0.322 nan 8.270 nan 0.000 0.440 139 D N 0.141 119.921 120.400 -1.034 0.000 2.414 139 D HA 0.122 4.363 4.640 -0.664 0.000 0.259 139 D C 0.964 176.990 176.300 -0.457 0.000 1.269 139 D CA 0.205 53.816 54.000 -0.649 0.000 1.028 139 D CB 1.141 41.663 40.800 -0.464 0.000 1.093 139 D HN 0.602 nan 8.370 nan 0.000 0.545 140 S N -0.260 115.265 115.700 -0.292 0.000 2.395 140 S HA -0.064 4.008 4.470 -0.664 0.000 0.225 140 S C 1.577 176.043 174.600 -0.222 0.000 1.027 140 S CA 0.535 58.597 58.200 -0.231 0.000 0.965 140 S CB 0.051 63.165 63.200 -0.144 0.000 0.812 140 S HN 0.337 nan 8.310 nan 0.000 0.482 141 K N 1.620 121.901 120.400 -0.197 0.000 2.009 141 K HA 0.106 4.028 4.320 -0.664 0.000 0.210 141 K C 1.374 177.860 176.600 -0.191 0.000 1.049 141 K CA 1.394 57.590 56.287 -0.151 0.000 0.929 141 K CB -0.459 31.979 32.500 -0.103 0.000 0.714 141 K HN 0.532 nan 8.250 nan 0.000 0.440 142 G N -0.848 107.771 108.800 -0.301 0.000 2.441 142 G HA2 0.317 3.879 3.960 -0.664 0.000 0.225 142 G HA3 0.317 3.879 3.960 -0.664 0.000 0.225 142 G C -1.575 173.010 174.900 -0.525 0.000 1.200 142 G CA -0.917 43.963 45.100 -0.367 0.000 0.947 142 G HN 0.027 nan 8.290 nan 0.000 0.484 143 F N 0.783 120.662 119.950 -0.117 0.000 2.458 143 F HA 0.687 4.816 4.527 -0.663 0.000 0.330 143 F C 0.892 176.696 175.800 0.006 0.000 1.082 143 F CA -0.071 57.879 58.000 -0.084 0.000 0.995 143 F CB 2.432 41.439 39.000 0.010 0.000 1.170 143 F HN 0.637 nan 8.300 nan 0.000 0.478 144 G N 1.051 110.017 108.800 0.276 0.000 2.416 144 G HA2 0.534 4.096 3.960 -0.664 0.000 0.329 144 G HA3 0.534 4.096 3.960 -0.664 0.000 0.329 144 G C -2.467 172.782 174.900 0.582 0.000 1.173 144 G CA -0.453 44.925 45.100 0.463 0.000 0.929 144 G HN 0.493 nan 8.290 nan 0.000 0.475 145 Y N 0.338 120.806 120.300 0.279 0.000 2.562 145 Y HA 0.716 4.867 4.550 -0.665 0.000 0.345 145 Y C -0.494 175.509 175.900 0.171 0.000 1.045 145 Y CA -1.012 57.214 58.100 0.210 0.000 1.028 145 Y CB 2.586 41.127 38.460 0.135 0.000 1.297 145 Y HN 0.958 nan 8.280 nan 0.000 0.463 146 A N 2.330 124.923 122.820 -0.378 0.000 2.513 146 A HA 0.632 4.554 4.320 -0.664 0.000 0.296 146 A C -1.151 176.198 177.584 -0.391 0.000 1.052 146 A CA -0.201 51.711 52.037 -0.208 0.000 0.714 146 A CB 0.851 19.869 19.000 0.030 0.000 1.279 146 A HN 0.884 nan 8.150 nan 0.000 0.397 147 T N -0.261 114.183 114.554 -0.183 0.000 2.885 147 T HA 0.728 4.680 4.350 -0.664 0.000 0.285 147 T C -0.863 173.860 174.700 0.038 0.000 1.019 147 T CA -0.668 61.356 62.100 -0.126 0.000 1.010 147 T CB 1.414 70.230 68.868 -0.087 0.000 1.022 147 T HN 1.483 nan 8.240 nan 0.000 0.466 148 L N 2.091 123.281 121.223 -0.055 0.000 2.385 148 L HA 0.615 4.556 4.340 -0.664 0.000 0.273 148 L C -1.129 175.692 176.870 -0.081 0.000 0.990 148 L CA -0.461 54.302 54.840 -0.128 0.000 0.821 148 L CB 1.908 43.756 42.059 -0.352 0.000 1.279 148 L HN 0.857 nan 8.230 nan 0.000 0.412 149 D N 4.645 125.015 120.400 -0.051 0.000 2.396 149 D HA 0.124 4.366 4.640 -0.664 0.000 0.225 149 D C 1.100 177.374 176.300 -0.043 0.000 1.121 149 D CA 0.016 54.000 54.000 -0.027 0.000 0.853 149 D CB 0.950 41.753 40.800 0.005 0.000 1.043 149 D HN 0.743 nan 8.370 nan 0.000 0.500 150 I N 2.735 123.282 120.570 -0.039 0.000 2.493 150 I HA -0.246 3.526 4.170 -0.664 0.000 0.254 150 I C 1.767 177.960 176.117 0.127 0.000 1.160 150 I CA 0.656 61.950 61.300 -0.009 0.000 1.445 150 I CB 0.346 38.336 38.000 -0.017 0.000 1.086 150 I HN 0.286 nan 8.210 nan 0.000 0.433 151 S N 0.306 116.049 115.700 0.071 0.000 2.325 151 S HA -0.163 3.909 4.470 -0.664 0.000 0.213 151 S C 2.039 176.714 174.600 0.125 0.000 1.031 151 S CA 1.625 59.865 58.200 0.066 0.000 0.984 151 S CB -0.366 62.841 63.200 0.011 0.000 0.939 151 S HN 0.631 nan 8.310 nan 0.000 0.438 152 S N 0.785 116.535 115.700 0.083 0.000 2.419 152 S HA 0.068 4.139 4.470 -0.664 0.000 0.235 152 S C 1.740 176.420 174.600 0.133 0.000 1.019 152 S CA 1.166 59.421 58.200 0.091 0.000 0.982 152 S CB -0.910 62.321 63.200 0.052 0.000 0.789 152 S HN 1.024 nan 8.310 nan 0.000 0.490 153 G N 1.301 110.153 108.800 0.087 0.000 2.159 153 G HA2 -0.324 3.238 3.960 -0.664 0.000 0.256 153 G HA3 -0.324 3.238 3.960 -0.664 0.000 0.256 153 G C 0.139 175.022 174.900 -0.029 0.000 0.977 153 G CA 0.131 45.179 45.100 -0.087 0.000 0.652 153 G HN 0.693 nan 8.290 nan 0.000 0.531 154 R N 0.165 120.678 120.500 0.022 0.000 2.402 154 R HA 0.363 4.305 4.340 -0.664 0.000 0.331 154 R C -0.864 175.503 176.300 0.111 0.000 1.040 154 R CA -0.403 55.732 56.100 0.058 0.000 0.980 154 R CB -0.289 30.045 30.300 0.058 0.000 0.967 154 R HN 0.061 nan 8.270 nan 0.000 0.440 155 F N 6.209 126.113 119.950 -0.076 0.000 2.366 155 F HA 0.418 4.546 4.527 -0.665 0.000 0.366 155 F C -0.632 175.120 175.800 -0.079 0.000 1.096 155 F CA -1.253 56.699 58.000 -0.080 0.000 1.060 155 F CB 0.549 39.499 39.000 -0.084 0.000 1.282 155 F HN 0.447 nan 8.300 nan 0.000 0.450 156 R N 6.076 126.683 120.500 0.179 0.000 2.787 156 R HA 0.738 4.680 4.340 -0.664 0.000 0.271 156 R C -1.147 175.142 176.300 -0.019 0.000 0.993 156 R CA -1.113 54.995 56.100 0.013 0.000 0.993 156 R CB 2.977 33.306 30.300 0.049 0.000 1.155 156 R HN 0.738 nan 8.270 nan 0.000 0.486 157 L N -0.946 120.250 121.223 -0.045 0.000 2.434 157 L HA 0.669 4.611 4.340 -0.664 0.000 0.260 157 L C -0.851 176.065 176.870 0.078 0.000 0.983 157 L CA -0.439 54.404 54.840 0.004 0.000 0.820 157 L CB 2.472 44.496 42.059 -0.057 0.000 1.361 157 L HN 0.884 nan 8.230 nan 0.000 0.410 158 S N 1.711 117.512 115.700 0.168 0.000 2.732 158 S HA 0.643 4.715 4.470 -0.664 0.000 0.293 158 S C -0.886 173.835 174.600 0.202 0.000 1.159 158 S CA -0.747 57.556 58.200 0.171 0.000 0.847 158 S CB 2.186 65.495 63.200 0.180 0.000 1.169 158 S HN 0.800 nan 8.310 nan 0.000 0.501 159 E N 1.008 121.302 120.200 0.157 0.000 3.352 159 E HA 0.305 4.257 4.350 -0.664 0.000 0.254 159 E C -2.866 173.812 176.600 0.130 0.000 1.229 159 E CA -1.500 54.998 56.400 0.163 0.000 0.949 159 E CB 1.088 30.868 29.700 0.133 0.000 1.373 159 E HN 0.398 nan 8.360 nan 0.000 0.392 160 P HA -0.094 nan 4.420 nan 0.000 0.264 160 P C 0.263 177.654 177.300 0.153 0.000 1.183 160 P CA 0.344 63.492 63.100 0.081 0.000 0.763 160 P CB 1.015 32.701 31.700 -0.023 0.000 0.807 161 A N 3.219 126.100 122.820 0.101 0.000 1.871 161 A HA 0.040 3.961 4.320 -0.664 0.000 0.211 161 A C 0.663 178.330 177.584 0.138 0.000 1.207 161 A CA 1.187 53.283 52.037 0.098 0.000 0.620 161 A CB -0.629 18.401 19.000 0.050 0.000 0.860 161 A HN 0.652 nan 8.150 nan 0.000 0.450 162 D N -2.644 117.818 120.400 0.104 0.000 2.494 162 D HA 0.350 4.592 4.640 -0.664 0.000 0.259 162 D C 0.947 177.301 176.300 0.091 0.000 1.109 162 D CA -0.788 53.273 54.000 0.102 0.000 1.040 162 D CB 0.593 41.413 40.800 0.034 0.000 1.175 162 D HN 0.058 nan 8.370 nan 0.000 0.584 163 R N -0.450 120.095 120.500 0.076 0.000 2.082 163 R HA -0.153 3.788 4.340 -0.664 0.000 0.234 163 R C 1.458 177.670 176.300 -0.147 0.000 1.136 163 R CA 1.434 57.517 56.100 -0.029 0.000 0.935 163 R CB -0.100 30.204 30.300 0.007 0.000 0.842 163 R HN 0.534 nan 8.270 nan 0.000 0.430 164 E N -0.569 119.583 120.200 -0.080 0.000 2.268 164 E HA -0.099 3.853 4.350 -0.664 0.000 0.195 164 E C 1.789 178.329 176.600 -0.100 0.000 0.995 164 E CA 1.153 57.507 56.400 -0.077 0.000 0.836 164 E CB 0.006 29.692 29.700 -0.023 0.000 0.763 164 E HN 0.384 nan 8.360 nan 0.000 0.491 165 T N 1.078 115.568 114.554 -0.106 0.000 2.942 165 T HA -0.069 3.883 4.350 -0.664 0.000 0.265 165 T C 1.753 176.333 174.700 -0.200 0.000 1.062 165 T CA 0.708 62.740 62.100 -0.113 0.000 1.139 165 T CB -0.061 68.769 68.868 -0.064 0.000 0.883 165 T HN 0.015 nan 8.240 nan 0.000 0.468 166 M N 1.735 121.142 119.600 -0.321 0.000 2.229 166 M HA 0.147 4.228 4.480 -0.664 0.000 0.264 166 M C 2.164 178.224 176.300 -0.401 0.000 1.063 166 M CA 1.145 56.148 55.300 -0.496 0.000 1.114 166 M CB -0.541 31.468 32.600 -0.985 0.000 1.387 166 M HN 0.185 nan 8.290 nan 0.000 0.420 167 A N -0.551 122.094 122.820 -0.292 0.000 1.929 167 A HA 0.180 4.101 4.320 -0.664 0.000 0.216 167 A C 2.299 179.788 177.584 -0.158 0.000 1.176 167 A CA 1.528 53.445 52.037 -0.200 0.000 0.628 167 A CB -1.218 17.698 19.000 -0.139 0.000 0.816 167 A HN 0.588 nan 8.150 nan 0.000 0.444 168 A N -0.383 122.351 122.820 -0.142 0.000 2.015 168 A HA -0.085 3.836 4.320 -0.664 0.000 0.219 168 A C 1.935 179.451 177.584 -0.113 0.000 1.163 168 A CA 1.424 53.399 52.037 -0.102 0.000 0.646 168 A CB -0.268 18.683 19.000 -0.082 0.000 0.806 168 A HN 0.538 nan 8.150 nan 0.000 0.448 169 E N -0.150 119.944 120.200 -0.176 0.000 2.060 169 E HA -0.027 3.924 4.350 -0.664 0.000 0.189 169 E C 2.000 178.491 176.600 -0.182 0.000 0.974 169 E CA 0.559 56.850 56.400 -0.182 0.000 0.808 169 E CB -0.373 29.147 29.700 -0.300 0.000 0.768 169 E HN 0.603 nan 8.360 nan 0.000 0.453 170 L N 1.308 122.370 121.223 -0.269 0.000 2.081 170 L HA -0.292 3.650 4.340 -0.664 0.000 0.212 170 L C 2.799 179.624 176.870 -0.076 0.000 1.080 170 L CA 1.426 56.172 54.840 -0.157 0.000 0.754 170 L CB -0.313 41.646 42.059 -0.167 0.000 0.893 170 L HN 0.142 nan 8.230 nan 0.000 0.433 171 Q N 0.252 120.000 119.800 -0.087 0.000 1.993 171 Q HA -0.247 3.695 4.340 -0.664 0.000 0.202 171 Q C 2.286 178.235 176.000 -0.085 0.000 0.984 171 Q CA 1.895 57.659 55.803 -0.066 0.000 0.837 171 Q CB -0.218 28.487 28.738 -0.055 0.000 0.902 171 Q HN 0.271 nan 8.270 nan 0.000 0.423 172 R N -0.676 119.769 120.500 -0.093 0.000 2.073 172 R HA -0.131 3.810 4.340 -0.664 0.000 0.234 172 R C 2.206 178.417 176.300 -0.150 0.000 1.134 172 R CA 2.157 58.163 56.100 -0.156 0.000 0.952 172 R CB -0.558 29.699 30.300 -0.072 0.000 0.850 172 R HN 0.577 nan 8.270 nan 0.000 0.433 173 T N -1.631 112.903 114.554 -0.033 0.000 2.942 173 T HA -0.068 3.883 4.350 -0.664 0.000 0.265 173 T C 0.888 175.594 174.700 0.010 0.000 1.062 173 T CA 0.523 62.638 62.100 0.024 0.000 1.139 173 T CB -0.288 68.672 68.868 0.153 0.000 0.883 173 T HN 0.407 nan 8.240 nan 0.000 0.468 174 N N 2.410 121.112 118.700 0.003 0.000 2.667 174 N HA -0.085 4.257 4.740 -0.664 0.000 0.263 174 N C -2.761 172.762 175.510 0.022 0.000 1.038 174 N CA 0.263 53.313 53.050 0.000 0.000 0.749 174 N CB -0.630 37.841 38.487 -0.027 0.000 0.892 174 N HN 0.360 nan 8.380 nan 0.000 0.546 175 P HA 0.083 nan 4.420 nan 0.000 0.264 175 P C 0.441 177.756 177.300 0.025 0.000 1.193 175 P CA 0.162 63.289 63.100 0.046 0.000 0.763 175 P CB 0.552 32.298 31.700 0.077 0.000 0.810 176 A N 2.932 125.760 122.820 0.014 0.000 2.066 176 A HA -0.063 3.858 4.320 -0.664 0.000 0.218 176 A C 0.803 178.396 177.584 0.015 0.000 1.157 176 A CA 1.178 53.222 52.037 0.011 0.000 0.670 176 A CB -0.395 18.609 19.000 0.006 0.000 0.804 176 A HN 0.629 nan 8.150 nan 0.000 0.453 177 E N -0.761 119.448 120.200 0.015 0.000 2.290 177 E HA 0.554 4.506 4.350 -0.664 0.000 0.274 177 E C -1.902 174.698 176.600 0.001 0.000 0.889 177 E CA -0.491 55.915 56.400 0.011 0.000 0.760 177 E CB 1.402 31.115 29.700 0.022 0.000 1.206 177 E HN 0.195 nan 8.360 nan 0.000 0.419 178 L N 6.240 127.469 121.223 0.010 0.000 2.319 178 L HA 0.469 4.411 4.340 -0.664 0.000 0.281 178 L C -1.018 175.872 176.870 0.033 0.000 1.005 178 L CA -0.751 54.109 54.840 0.034 0.000 0.828 178 L CB 0.906 42.998 42.059 0.055 0.000 1.227 178 L HN 0.555 nan 8.230 nan 0.000 0.415 179 L N 5.387 126.593 121.223 -0.028 0.000 2.350 179 L HA 0.405 4.347 4.340 -0.664 0.000 0.275 179 L C -0.917 176.032 176.870 0.132 0.000 1.099 179 L CA -0.600 54.202 54.840 -0.063 0.000 0.808 179 L CB 0.835 42.777 42.059 -0.195 0.000 1.149 179 L HN 0.471 nan 8.230 nan 0.000 0.442 180 Y N 1.005 121.288 120.300 -0.029 0.000 2.441 180 Y HA 0.751 4.903 4.550 -0.664 0.000 0.334 180 Y C -0.291 175.571 175.900 -0.064 0.000 1.061 180 Y CA -1.512 56.519 58.100 -0.116 0.000 1.032 180 Y CB 0.732 38.993 38.460 -0.330 0.000 1.266 180 Y HN 0.660 nan 8.280 nan 0.000 0.441 181 A N 3.044 125.737 122.820 -0.211 0.000 2.561 181 A HA 0.139 4.060 4.320 -0.664 0.000 0.234 181 A C 0.883 178.469 177.584 0.003 0.000 1.055 181 A CA 0.358 52.241 52.037 -0.256 0.000 0.756 181 A CB 0.058 18.788 19.000 -0.451 0.000 0.986 181 A HN 0.988 nan 8.150 nan 0.000 0.505 182 E N 1.620 121.803 120.200 -0.029 0.000 2.085 182 E HA -0.209 3.743 4.350 -0.664 0.000 0.194 182 E C 0.624 177.318 176.600 0.156 0.000 0.994 182 E CA 1.665 58.096 56.400 0.052 0.000 0.801 182 E CB -0.203 29.510 29.700 0.022 0.000 0.743 182 E HN 0.751 nan 8.360 nan 0.000 0.453 183 D N -0.052 120.421 120.400 0.123 0.000 2.350 183 D HA -0.049 4.193 4.640 -0.664 0.000 0.216 183 D C -0.298 176.082 176.300 0.134 0.000 0.968 183 D CA 0.153 54.220 54.000 0.112 0.000 0.894 183 D CB -0.269 40.585 40.800 0.090 0.000 0.909 183 D HN 0.030 nan 8.370 nan 0.000 0.520 184 F N 0.619 120.598 119.950 0.047 0.000 2.512 184 F HA -0.059 4.070 4.527 -0.664 0.000 0.406 184 F C 1.282 177.101 175.800 0.032 0.000 0.990 184 F CA -0.282 57.746 58.000 0.047 0.000 1.137 184 F CB 0.571 39.667 39.000 0.159 0.000 0.960 184 F HN -0.067 nan 8.300 nan 0.000 0.533 185 A N 4.973 127.514 122.820 -0.465 0.000 1.871 185 A HA 0.013 3.935 4.320 -0.664 0.000 0.211 185 A C 1.062 178.417 177.584 -0.382 0.000 1.207 185 A CA 0.463 52.300 52.037 -0.333 0.000 0.620 185 A CB -0.310 18.512 19.000 -0.297 0.000 0.860 185 A HN 0.670 nan 8.150 nan 0.000 0.450 186 E N 1.065 120.883 120.200 -0.636 0.000 1.852 186 E HA 0.138 4.090 4.350 -0.664 0.000 0.276 186 E C 0.308 176.804 176.600 -0.172 0.000 1.163 186 E CA -0.173 56.026 56.400 -0.334 0.000 1.117 186 E CB 0.239 29.831 29.700 -0.180 0.000 1.124 186 E HN 0.524 nan 8.360 nan 0.000 0.458 187 M N -0.004 119.577 119.600 -0.031 0.000 2.419 187 M HA -0.092 3.990 4.480 -0.664 0.000 0.264 187 M C 1.909 178.241 176.300 0.053 0.000 1.082 187 M CA 0.698 56.065 55.300 0.112 0.000 1.119 187 M CB -0.407 32.230 32.600 0.062 0.000 1.398 187 M HN 0.151 nan 8.290 nan 0.000 0.453 188 S N 1.014 116.724 115.700 0.016 0.000 2.462 188 S HA -0.121 3.951 4.470 -0.664 0.000 0.243 188 S C 1.818 176.420 174.600 0.004 0.000 1.003 188 S CA 0.958 59.159 58.200 0.003 0.000 0.970 188 S CB -0.802 62.394 63.200 -0.008 0.000 0.762 188 S HN 0.434 nan 8.310 nan 0.000 0.510 189 L N 0.653 121.895 121.223 0.032 0.000 2.044 189 L HA 0.176 4.117 4.340 -0.664 0.000 0.205 189 L C 1.823 178.687 176.870 -0.010 0.000 1.075 189 L CA 1.183 56.029 54.840 0.011 0.000 0.747 189 L CB -0.229 41.861 42.059 0.051 0.000 0.903 189 L HN 0.484 nan 8.230 nan 0.000 0.435 190 I N -5.224 115.346 120.570 0.001 0.000 3.569 190 I HA 0.209 3.981 4.170 -0.664 0.000 0.334 190 I C 1.379 177.435 176.117 -0.101 0.000 1.570 190 I CA -0.033 61.222 61.300 -0.075 0.000 1.082 190 I CB 0.196 38.099 38.000 -0.161 0.000 1.323 190 I HN 0.040 nan 8.210 nan 0.000 0.489 191 E N 2.131 122.298 120.200 -0.055 0.000 2.047 191 E HA -0.041 3.910 4.350 -0.664 0.000 0.191 191 E C 1.976 178.554 176.600 -0.037 0.000 0.987 191 E CA 1.325 57.696 56.400 -0.049 0.000 0.799 191 E CB 0.020 29.708 29.700 -0.019 0.000 0.752 191 E HN 0.704 nan 8.360 nan 0.000 0.449 192 G N 0.262 109.047 108.800 -0.024 0.000 3.337 192 G HA2 0.079 3.640 3.960 -0.664 0.000 0.246 192 G HA3 0.079 3.640 3.960 -0.664 0.000 0.246 192 G C 0.142 175.037 174.900 -0.009 0.000 1.131 192 G CA -0.442 44.651 45.100 -0.011 0.000 0.773 192 G HN -0.039 nan 8.290 nan 0.000 0.544 193 R N 1.318 121.805 120.500 -0.021 0.000 2.590 193 R HA 0.181 4.122 4.340 -0.664 0.000 0.274 193 R C 0.635 176.937 176.300 0.003 0.000 1.061 193 R CA -0.413 55.679 56.100 -0.013 0.000 1.081 193 R CB 0.781 31.067 30.300 -0.025 0.000 0.984 193 R HN 0.335 nan 8.270 nan 0.000 0.448 194 R N 1.063 121.569 120.500 0.009 0.000 2.594 194 R HA 0.103 4.045 4.340 -0.664 0.000 0.272 194 R C 0.242 176.556 176.300 0.024 0.000 1.074 194 R CA 0.536 56.647 56.100 0.018 0.000 1.105 194 R CB 0.286 30.595 30.300 0.016 0.000 1.008 194 R HN 0.809 nan 8.270 nan 0.000 0.472 195 G N 2.797 111.616 108.800 0.032 0.000 2.338 195 G HA2 -0.260 3.302 3.960 -0.664 0.000 0.296 195 G HA3 -0.260 3.302 3.960 -0.664 0.000 0.296 195 G C 0.056 174.983 174.900 0.045 0.000 1.040 195 G CA 0.255 45.376 45.100 0.035 0.000 1.004 195 G HN 0.547 nan 8.290 nan 0.000 0.509 196 L N -0.377 120.889 121.223 0.072 0.000 2.452 196 L HA 0.529 4.471 4.340 -0.664 0.000 0.267 196 L C 0.817 177.771 176.870 0.140 0.000 1.188 196 L CA -0.303 54.625 54.840 0.146 0.000 0.821 196 L CB 0.618 42.790 42.059 0.189 0.000 1.102 196 L HN 0.175 nan 8.230 nan 0.000 0.470 197 R N 2.494 123.071 120.500 0.130 0.000 2.631 197 R HA 0.212 4.154 4.340 -0.664 0.000 0.289 197 R C -0.814 175.267 176.300 -0.365 0.000 1.303 197 R CA -0.698 55.348 56.100 -0.090 0.000 0.989 197 R CB 1.395 31.572 30.300 -0.205 0.000 1.208 197 R HN 0.596 nan 8.270 nan 0.000 0.461 198 R N 2.795 122.999 120.500 -0.493 0.000 2.489 198 R HA 0.208 4.149 4.340 -0.664 0.000 0.287 198 R C -0.595 175.451 176.300 -0.423 0.000 1.053 198 R CA 0.110 55.719 56.100 -0.817 0.000 1.036 198 R CB 0.672 30.684 30.300 -0.480 0.000 0.966 198 R HN 0.301 nan 8.270 nan 0.000 0.432 199 R N 4.328 124.602 120.500 -0.377 0.000 2.795 199 R HA 0.433 4.374 4.340 -0.664 0.000 0.275 199 R C -2.626 173.585 176.300 -0.149 0.000 0.981 199 R CA -2.718 53.250 56.100 -0.220 0.000 0.917 199 R CB 1.369 31.558 30.300 -0.185 0.000 1.202 199 R HN 0.586 nan 8.270 nan 0.000 0.469 200 P HA 0.049 nan 4.420 nan 0.000 0.268 200 P C 0.949 178.169 177.300 -0.133 0.000 1.208 200 P CA -0.152 62.830 63.100 -0.198 0.000 0.777 200 P CB 0.726 32.163 31.700 -0.440 0.000 0.875 201 L N 2.112 123.348 121.223 0.021 0.000 2.093 201 L HA -0.095 3.847 4.340 -0.664 0.000 0.208 201 L C 2.013 178.977 176.870 0.157 0.000 1.085 201 L CA 1.218 56.132 54.840 0.123 0.000 0.755 201 L CB -0.549 41.597 42.059 0.145 0.000 0.904 201 L HN 0.616 nan 8.230 nan 0.000 0.435 202 W N -0.002 121.355 121.300 0.096 0.000 2.538 202 W HA -0.149 4.113 4.660 -0.663 0.000 0.254 202 W C 1.112 177.621 176.519 -0.015 0.000 1.249 202 W CA 0.236 57.603 57.345 0.037 0.000 1.253 202 W CB -0.798 28.671 29.460 0.015 0.000 1.130 202 W HN 0.264 nan 8.180 nan 0.000 0.618 203 E N 0.020 119.914 120.200 -0.509 0.000 2.511 203 E HA -0.027 3.924 4.350 -0.664 0.000 0.196 203 E C 0.097 176.304 176.600 -0.655 0.000 1.066 203 E CA 0.424 56.435 56.400 -0.648 0.000 0.871 203 E CB -0.295 28.865 29.700 -0.901 0.000 0.863 203 E HN 0.242 nan 8.360 nan 0.000 0.520 204 F N 0.679 120.416 119.950 -0.355 0.000 2.908 204 F HA 0.202 4.330 4.527 -0.664 0.000 0.328 204 F C 0.652 176.178 175.800 -0.455 0.000 1.211 204 F CA -0.439 57.225 58.000 -0.561 0.000 1.291 204 F CB 0.623 39.068 39.000 -0.924 0.000 0.962 204 F HN -0.180 nan 8.300 nan 0.000 0.505 205 E N 1.239 121.387 120.200 -0.086 0.000 2.259 205 E HA 0.091 4.043 4.350 -0.664 0.000 0.281 205 E C 1.076 177.654 176.600 -0.036 0.000 1.027 205 E CA -0.040 56.353 56.400 -0.011 0.000 0.838 205 E CB 1.271 31.017 29.700 0.076 0.000 1.066 205 E HN 0.273 nan 8.360 nan 0.000 0.401 206 I N 4.288 124.858 120.570 0.000 0.000 2.179 206 I HA -0.253 3.519 4.170 -0.664 0.000 0.242 206 I C 1.242 177.367 176.117 0.014 0.000 1.088 206 I CA 1.638 62.947 61.300 0.016 0.000 1.357 206 I CB -0.066 37.973 38.000 0.064 0.000 1.051 206 I HN 0.487 nan 8.210 nan 0.000 0.409 207 D N -0.777 119.636 120.400 0.022 0.000 2.234 207 D HA -0.075 4.166 4.640 -0.664 0.000 0.205 207 D C 2.155 178.460 176.300 0.009 0.000 0.962 207 D CA 1.207 55.218 54.000 0.019 0.000 0.855 207 D CB -0.159 40.654 40.800 0.023 0.000 0.951 207 D HN 0.303 nan 8.370 nan 0.000 0.500 208 T N 0.615 115.176 114.554 0.011 0.000 2.821 208 T HA -0.077 3.874 4.350 -0.664 0.000 0.267 208 T C 1.984 176.672 174.700 -0.019 0.000 1.046 208 T CA 1.288 63.393 62.100 0.009 0.000 1.139 208 T CB -0.063 68.832 68.868 0.045 0.000 0.871 208 T HN 0.170 nan 8.240 nan 0.000 0.454 209 A N 1.567 124.365 122.820 -0.038 0.000 1.873 209 A HA -0.057 3.865 4.320 -0.664 0.000 0.215 209 A C 2.364 179.923 177.584 -0.042 0.000 1.186 209 A CA 1.232 53.231 52.037 -0.062 0.000 0.616 209 A CB -0.468 18.481 19.000 -0.084 0.000 0.823 209 A HN 0.338 nan 8.150 nan 0.000 0.442 210 R N -0.751 119.740 120.500 -0.015 0.000 2.080 210 R HA -0.194 3.747 4.340 -0.664 0.000 0.236 210 R C 2.641 178.936 176.300 -0.009 0.000 1.137 210 R CA 1.778 57.880 56.100 0.004 0.000 0.943 210 R CB -0.387 29.927 30.300 0.023 0.000 0.846 210 R HN 0.804 nan 8.270 nan 0.000 0.431 211 Q N 0.851 120.643 119.800 -0.013 0.000 2.002 211 Q HA -0.260 3.681 4.340 -0.664 0.000 0.204 211 Q C 2.021 177.991 176.000 -0.050 0.000 0.988 211 Q CA 1.769 57.561 55.803 -0.019 0.000 0.843 211 Q CB -0.076 28.654 28.738 -0.014 0.000 0.908 211 Q HN 0.437 nan 8.270 nan 0.000 0.420 212 Q N -0.042 119.720 119.800 -0.064 0.000 2.124 212 Q HA -0.120 3.822 4.340 -0.664 0.000 0.202 212 Q C 2.351 178.242 176.000 -0.182 0.000 0.977 212 Q CA 1.188 56.932 55.803 -0.100 0.000 0.850 212 Q CB -0.010 28.677 28.738 -0.084 0.000 0.901 212 Q HN 0.457 nan 8.270 nan 0.000 0.429 213 L N 0.605 121.715 121.223 -0.189 0.000 2.046 213 L HA -0.210 3.731 4.340 -0.664 0.000 0.208 213 L C 2.067 178.664 176.870 -0.455 0.000 1.077 213 L CA 0.840 55.461 54.840 -0.366 0.000 0.747 213 L CB -0.388 41.575 42.059 -0.160 0.000 0.896 213 L HN 0.273 nan 8.230 nan 0.000 0.432 214 N N -0.013 118.606 118.700 -0.136 0.000 2.188 214 N HA -0.168 4.174 4.740 -0.664 0.000 0.184 214 N C 1.861 177.352 175.510 -0.033 0.000 1.018 214 N CA 1.074 54.124 53.050 0.000 0.000 0.858 214 N CB -0.136 38.380 38.487 0.048 0.000 0.989 214 N HN 0.201 nan 8.380 nan 0.000 0.426 215 L N 1.699 122.873 121.223 -0.082 0.000 2.046 215 L HA -0.197 3.745 4.340 -0.664 0.000 0.208 215 L C 2.527 179.342 176.870 -0.091 0.000 1.077 215 L CA 1.596 56.398 54.840 -0.063 0.000 0.747 215 L CB -0.468 41.553 42.059 -0.064 0.000 0.896 215 L HN 0.044 nan 8.230 nan 0.000 0.432 216 Q N -0.335 119.330 119.800 -0.226 0.000 2.002 216 Q HA -0.222 3.719 4.340 -0.664 0.000 0.204 216 Q C 1.792 177.737 176.000 -0.092 0.000 0.988 216 Q CA 2.357 58.004 55.803 -0.262 0.000 0.843 216 Q CB -0.511 27.908 28.738 -0.531 0.000 0.908 216 Q HN 0.528 nan 8.270 nan 0.000 0.420 217 F N -0.529 119.470 119.950 0.082 0.000 2.710 217 F HA 0.346 4.475 4.527 -0.663 0.000 0.298 217 F C 1.502 177.389 175.800 0.145 0.000 1.137 217 F CA 0.461 58.546 58.000 0.143 0.000 1.444 217 F CB -0.568 38.596 39.000 0.273 0.000 1.111 217 F HN 0.252 nan 8.300 nan 0.000 0.580 218 G N 1.527 110.453 108.800 0.210 0.000 2.289 218 G HA2 -0.152 3.410 3.960 -0.664 0.000 0.280 218 G HA3 -0.152 3.410 3.960 -0.664 0.000 0.280 218 G C 0.171 175.154 174.900 0.138 0.000 1.089 218 G CA 0.408 45.592 45.100 0.139 0.000 0.939 218 G HN 0.646 nan 8.290 nan 0.000 0.499 219 T N -3.837 110.807 114.554 0.151 0.000 2.887 219 T HA 0.743 4.695 4.350 -0.664 0.000 0.292 219 T C 1.317 176.063 174.700 0.077 0.000 1.087 219 T CA -0.154 62.014 62.100 0.112 0.000 1.009 219 T CB 1.548 70.503 68.868 0.146 0.000 1.203 219 T HN 0.222 nan 8.240 nan 0.000 0.518 220 R N 0.600 121.128 120.500 0.047 0.000 2.090 220 R HA 0.261 4.203 4.340 -0.664 0.000 0.219 220 R C 0.294 176.621 176.300 0.045 0.000 1.100 220 R CA 0.753 56.874 56.100 0.035 0.000 0.991 220 R CB -0.137 30.174 30.300 0.017 0.000 0.893 220 R HN 0.857 nan 8.270 nan 0.000 0.443 221 D N -0.192 120.235 120.400 0.045 0.000 2.581 221 D HA 0.107 4.348 4.640 -0.664 0.000 0.232 221 D C 0.052 176.399 176.300 0.079 0.000 1.143 221 D CA -0.652 53.381 54.000 0.055 0.000 0.881 221 D CB 1.843 42.658 40.800 0.025 0.000 1.500 221 D HN -0.049 nan 8.370 nan 0.000 0.458 222 L N 1.381 122.684 121.223 0.133 0.000 2.688 222 L HA 0.101 4.043 4.340 -0.664 0.000 0.234 222 L C 1.825 178.762 176.870 0.111 0.000 1.192 222 L CA -0.248 54.739 54.840 0.244 0.000 0.984 222 L CB 0.222 42.473 42.059 0.320 0.000 1.232 222 L HN 0.250 nan 8.230 nan 0.000 0.465 223 V N 0.640 120.555 119.914 0.001 0.000 2.427 223 V HA -0.169 3.553 4.120 -0.664 0.000 0.248 223 V C 2.491 178.528 176.094 -0.095 0.000 1.051 223 V CA 2.092 64.376 62.300 -0.027 0.000 1.048 223 V CB -0.644 31.160 31.823 -0.031 0.000 0.666 223 V HN 0.654 nan 8.190 nan 0.000 0.456 224 G N -1.221 107.430 108.800 -0.249 0.000 2.559 224 G HA2 -0.177 3.385 3.960 -0.664 0.000 0.216 224 G HA3 -0.177 3.385 3.960 -0.664 0.000 0.216 224 G C 1.048 175.729 174.900 -0.366 0.000 1.126 224 G CA 0.329 45.214 45.100 -0.358 0.000 0.778 224 G HN 0.527 nan 8.290 nan 0.000 0.543 225 F N -0.085 119.829 119.950 -0.061 0.000 2.695 225 F HA 0.353 4.482 4.527 -0.664 0.000 0.303 225 F C 1.896 177.652 175.800 -0.072 0.000 1.091 225 F CA -0.635 57.305 58.000 -0.100 0.000 1.300 225 F CB 0.255 39.163 39.000 -0.154 0.000 1.071 225 F HN 0.173 nan 8.300 nan 0.000 0.578 226 G N 0.856 109.711 108.800 0.092 0.000 2.160 226 G HA2 -0.265 3.297 3.960 -0.664 0.000 0.251 226 G HA3 -0.265 3.297 3.960 -0.664 0.000 0.251 226 G C 0.747 175.682 174.900 0.059 0.000 1.008 226 G CA 0.664 45.796 45.100 0.053 0.000 0.724 226 G HN 0.633 nan 8.290 nan 0.000 0.514 227 V N -3.686 116.280 119.914 0.085 0.000 3.451 227 V HA 0.521 4.243 4.120 -0.664 0.000 0.288 227 V C 1.680 177.820 176.094 0.077 0.000 1.502 227 V CA 1.355 63.698 62.300 0.072 0.000 1.026 227 V CB 0.639 32.496 31.823 0.056 0.000 0.840 227 V HN 0.280 nan 8.190 nan 0.000 0.437 228 E N 3.735 123.983 120.200 0.079 0.000 2.160 228 E HA -0.232 3.720 4.350 -0.664 0.000 0.195 228 E C 1.565 178.201 176.600 0.060 0.000 0.991 228 E CA 1.857 58.300 56.400 0.072 0.000 0.810 228 E CB -0.148 29.588 29.700 0.061 0.000 0.742 228 E HN 0.893 nan 8.360 nan 0.000 0.466 229 N N 0.204 118.935 118.700 0.052 0.000 2.389 229 N HA 0.088 4.429 4.740 -0.664 0.000 0.237 229 N C -0.927 174.617 175.510 0.058 0.000 1.148 229 N CA 0.478 53.558 53.050 0.049 0.000 0.854 229 N CB 0.897 39.407 38.487 0.037 0.000 1.115 229 N HN 0.115 nan 8.380 nan 0.000 0.492 230 A N 0.387 123.249 122.820 0.070 0.000 3.266 230 A HA 0.476 4.398 4.320 -0.664 0.000 0.310 230 A C -2.147 175.503 177.584 0.110 0.000 1.066 230 A CA -0.912 51.175 52.037 0.083 0.000 0.839 230 A CB 1.126 20.171 19.000 0.074 0.000 1.192 230 A HN 0.084 nan 8.150 nan 0.000 0.496 231 P HA -0.058 nan 4.420 nan 0.000 0.218 231 P C 1.697 179.139 177.300 0.236 0.000 1.152 231 P CA 0.669 63.859 63.100 0.150 0.000 0.826 231 P CB 0.216 32.000 31.700 0.140 0.000 0.790 232 R N -0.198 120.476 120.500 0.289 0.000 2.097 232 R HA -0.131 3.811 4.340 -0.664 0.000 0.236 232 R C 2.517 179.114 176.300 0.494 0.000 1.135 232 R CA 2.164 58.553 56.100 0.481 0.000 0.934 232 R CB -1.478 28.993 30.300 0.286 0.000 0.846 232 R HN 0.193 nan 8.270 nan 0.000 0.431 233 G N 0.557 109.540 108.800 0.305 0.000 2.440 233 G HA2 -0.257 3.304 3.960 -0.664 0.000 0.218 233 G HA3 -0.257 3.304 3.960 -0.664 0.000 0.218 233 G C 1.389 176.394 174.900 0.176 0.000 1.154 233 G CA 0.669 45.917 45.100 0.247 0.000 0.767 233 G HN 0.219 nan 8.290 nan 0.000 0.552 234 L N -0.261 121.040 121.223 0.131 0.000 2.353 234 L HA -0.058 3.884 4.340 -0.664 0.000 0.220 234 L C 2.855 179.740 176.870 0.026 0.000 1.133 234 L CA 0.156 55.032 54.840 0.060 0.000 0.798 234 L CB -0.248 41.847 42.059 0.059 0.000 0.922 234 L HN 0.300 nan 8.230 nan 0.000 0.445 235 C N -0.812 118.519 119.300 0.052 0.000 2.518 235 C HA -0.030 4.031 4.460 -0.664 0.000 0.279 235 C C 3.094 177.984 174.990 -0.165 0.000 1.279 235 C CA 0.642 59.580 59.018 -0.134 0.000 1.703 235 C CB -0.669 26.865 27.740 -0.343 0.000 2.072 235 C HN 0.630 nan 8.230 nan 0.000 0.487 236 A N 0.516 123.378 122.820 0.069 0.000 1.927 236 A HA -0.172 3.750 4.320 -0.664 0.000 0.220 236 A C 2.274 179.865 177.584 0.011 0.000 1.185 236 A CA 2.604 54.740 52.037 0.165 0.000 0.639 236 A CB -0.951 18.248 19.000 0.332 0.000 0.820 236 A HN 0.671 nan 8.150 nan 0.000 0.451 237 A N -1.105 121.735 122.820 0.034 0.000 1.970 237 A HA 0.259 4.181 4.320 -0.664 0.000 0.216 237 A C 2.356 179.985 177.584 0.075 0.000 1.170 237 A CA 1.623 53.722 52.037 0.103 0.000 0.645 237 A CB -1.114 17.874 19.000 -0.020 0.000 0.816 237 A HN 0.750 nan 8.150 nan 0.000 0.447 238 G N -1.124 107.635 108.800 -0.068 0.000 2.421 238 G HA2 -0.222 3.340 3.960 -0.664 0.000 0.217 238 G HA3 -0.222 3.340 3.960 -0.664 0.000 0.217 238 G C 1.716 176.484 174.900 -0.221 0.000 1.143 238 G CA 1.219 46.246 45.100 -0.122 0.000 0.784 238 G HN 0.603 nan 8.290 nan 0.000 0.541 239 C N -0.074 118.991 119.300 -0.393 0.000 2.476 239 C HA 0.219 4.280 4.460 -0.664 0.000 0.278 239 C C 2.646 177.441 174.990 -0.325 0.000 1.274 239 C CA 0.808 59.477 59.018 -0.583 0.000 1.713 239 C CB -1.076 25.918 27.740 -1.243 0.000 2.039 239 C HN 0.406 nan 8.230 nan 0.000 0.484 240 L N 0.630 121.723 121.223 -0.216 0.000 1.970 240 L HA -0.108 3.834 4.340 -0.664 0.000 0.212 240 L C 2.545 179.362 176.870 -0.088 0.000 1.071 240 L CA 2.196 56.971 54.840 -0.109 0.000 0.751 240 L CB -0.709 41.319 42.059 -0.052 0.000 0.889 240 L HN 0.465 nan 8.230 nan 0.000 0.432 241 L N 0.017 121.188 121.223 -0.087 0.000 1.990 241 L HA -0.297 3.645 4.340 -0.664 0.000 0.213 241 L C 2.628 179.429 176.870 -0.115 0.000 1.072 241 L CA 1.847 56.609 54.840 -0.130 0.000 0.755 241 L CB -1.063 40.969 42.059 -0.046 0.000 0.889 241 L HN 0.384 nan 8.230 nan 0.000 0.432 242 Q N -1.199 118.538 119.800 -0.105 0.000 2.118 242 Q HA -0.311 3.631 4.340 -0.664 0.000 0.211 242 Q C 2.273 178.238 176.000 -0.058 0.000 0.998 242 Q CA 2.689 58.437 55.803 -0.092 0.000 0.872 242 Q CB -0.711 27.949 28.738 -0.129 0.000 0.925 242 Q HN 0.733 nan 8.270 nan 0.000 0.414 243 Y N 0.224 120.418 120.300 -0.177 0.000 2.184 243 Y HA -0.097 4.055 4.550 -0.664 0.000 0.290 243 Y C 2.184 178.007 175.900 -0.128 0.000 1.129 243 Y CA 1.411 59.421 58.100 -0.151 0.000 1.144 243 Y CB -0.535 37.826 38.460 -0.165 0.000 0.995 243 Y HN 0.112 nan 8.280 nan 0.000 0.513 244 A N 0.922 123.681 122.820 -0.102 0.000 1.881 244 A HA -0.348 3.573 4.320 -0.664 0.000 0.219 244 A C 2.206 179.658 177.584 -0.220 0.000 1.215 244 A CA 2.658 54.582 52.037 -0.188 0.000 0.648 244 A CB -0.928 17.970 19.000 -0.170 0.000 0.832 244 A HN 0.553 nan 8.150 nan 0.000 0.455 245 K N -1.007 119.291 120.400 -0.171 0.000 2.089 245 K HA -0.256 3.665 4.320 -0.664 0.000 0.210 245 K C 1.897 178.405 176.600 -0.153 0.000 1.048 245 K CA 1.852 58.056 56.287 -0.139 0.000 0.926 245 K CB -0.298 32.136 32.500 -0.110 0.000 0.714 245 K HN 0.572 nan 8.250 nan 0.000 0.448 246 D N -0.395 119.887 120.400 -0.196 0.000 2.097 246 D HA -0.137 4.105 4.640 -0.664 0.000 0.195 246 D C 1.913 178.072 176.300 -0.235 0.000 0.989 246 D CA 1.880 55.762 54.000 -0.197 0.000 0.827 246 D CB -0.157 40.514 40.800 -0.216 0.000 0.966 246 D HN 0.329 nan 8.370 nan 0.000 0.456 247 T N -2.186 112.149 114.554 -0.364 0.000 2.881 247 T HA -0.135 3.816 4.350 -0.664 0.000 0.270 247 T C 1.691 176.279 174.700 -0.187 0.000 1.068 247 T CA 0.898 62.811 62.100 -0.312 0.000 1.131 247 T CB -0.060 68.573 68.868 -0.392 0.000 0.871 247 T HN 0.011 nan 8.240 nan 0.000 0.479 248 Q N 0.212 119.916 119.800 -0.160 0.000 2.226 248 Q HA 0.233 4.175 4.340 -0.664 0.000 0.199 248 Q C 0.751 176.701 176.000 -0.083 0.000 0.945 248 Q CA 0.311 56.050 55.803 -0.107 0.000 0.861 248 Q CB -0.013 28.671 28.738 -0.090 0.000 0.953 248 Q HN 0.418 nan 8.270 nan 0.000 0.490 249 R N 0.526 120.975 120.500 -0.085 0.000 3.516 249 R HA -0.139 3.803 4.340 -0.664 0.000 0.271 249 R C -0.042 176.229 176.300 -0.047 0.000 1.098 249 R CA 1.130 57.194 56.100 -0.060 0.000 0.732 249 R CB -2.958 27.313 30.300 -0.048 0.000 1.152 249 R HN 0.397 nan 8.270 nan 0.000 0.455 250 T N -2.083 112.441 114.554 -0.050 0.000 2.841 250 T HA 0.496 4.448 4.350 -0.664 0.000 0.296 250 T C -0.017 174.661 174.700 -0.035 0.000 1.166 250 T CA 0.234 62.311 62.100 -0.039 0.000 1.007 250 T CB 1.481 70.325 68.868 -0.040 0.000 1.253 250 T HN 0.205 nan 8.240 nan 0.000 0.511 251 T N 1.849 116.388 114.554 -0.025 0.000 2.795 251 T HA 0.472 4.424 4.350 -0.664 0.000 0.314 251 T C 0.186 174.891 174.700 0.009 0.000 1.069 251 T CA -0.415 61.676 62.100 -0.014 0.000 1.071 251 T CB -0.087 68.778 68.868 -0.006 0.000 0.988 251 T HN 0.520 nan 8.240 nan 0.000 0.543 252 L N 1.555 122.794 121.223 0.027 0.000 2.470 252 L HA 0.300 4.242 4.340 -0.664 0.000 0.256 252 L C -1.973 174.961 176.870 0.108 0.000 1.357 252 L CA -1.632 53.274 54.840 0.110 0.000 0.902 252 L CB 1.756 43.813 42.059 -0.003 0.000 1.121 252 L HN 0.475 nan 8.230 nan 0.000 0.507 253 P HA -0.086 nan 4.420 nan 0.000 0.245 253 P C 0.890 178.291 177.300 0.168 0.000 1.212 253 P CA 0.882 64.055 63.100 0.122 0.000 0.774 253 P CB -0.068 31.679 31.700 0.078 0.000 0.999 254 H N -0.721 118.353 119.070 0.006 0.000 2.525 254 H HA 0.165 4.323 4.556 -0.665 0.000 0.275 254 H C 0.763 176.114 175.328 0.039 0.000 0.984 254 H CA -0.208 55.848 56.048 0.013 0.000 1.264 254 H CB -1.012 28.742 29.762 -0.013 0.000 1.432 254 H HN 0.122 nan 8.280 nan 0.000 0.549 255 I N 3.918 124.282 120.570 -0.344 0.000 2.278 255 I HA 0.100 3.872 4.170 -0.664 0.000 0.300 255 I C 1.108 177.310 176.117 0.141 0.000 1.174 255 I CA 0.032 61.236 61.300 -0.159 0.000 1.347 255 I CB 0.268 38.110 38.000 -0.263 0.000 1.473 255 I HN 0.267 nan 8.210 nan 0.000 0.595 256 R N 3.044 123.611 120.500 0.112 0.000 2.508 256 R HA 0.370 4.311 4.340 -0.664 0.000 0.300 256 R C 0.221 176.407 176.300 -0.191 0.000 0.970 256 R CA -0.273 55.924 56.100 0.162 0.000 1.102 256 R CB 0.616 30.989 30.300 0.122 0.000 1.246 256 R HN 0.452 nan 8.270 nan 0.000 0.539 257 S N 0.052 115.357 115.700 -0.658 0.000 2.615 257 S HA 0.531 4.602 4.470 -0.664 0.000 0.268 257 S C -1.761 172.068 174.600 -1.285 0.000 1.146 257 S CA -0.843 56.491 58.200 -1.444 0.000 0.818 257 S CB 1.756 64.658 63.200 -0.496 0.000 1.111 257 S HN 0.254 nan 8.310 nan 0.000 0.465 258 I N 1.304 121.003 120.570 -1.452 0.000 2.827 258 I HA 0.638 4.410 4.170 -0.664 0.000 0.298 258 I C -1.410 174.437 176.117 -0.450 0.000 1.235 258 I CA -0.155 60.652 61.300 -0.821 0.000 1.021 258 I CB 2.275 39.710 38.000 -0.940 0.000 1.259 258 I HN 0.815 nan 8.210 nan 0.000 0.427 259 T N 6.994 121.395 114.554 -0.255 0.000 2.906 259 T HA 0.478 4.429 4.350 -0.664 0.000 0.295 259 T C -0.897 173.758 174.700 -0.074 0.000 1.061 259 T CA -0.519 61.517 62.100 -0.107 0.000 1.000 259 T CB 1.890 70.727 68.868 -0.052 0.000 1.103 259 T HN 0.586 nan 8.240 nan 0.000 0.486 260 M N 2.018 121.601 119.600 -0.028 0.000 2.436 260 M HA 0.467 4.549 4.480 -0.664 0.000 0.331 260 M C -0.926 175.383 176.300 0.014 0.000 1.135 260 M CA -0.482 54.817 55.300 -0.001 0.000 0.987 260 M CB 1.362 33.969 32.600 0.012 0.000 1.687 260 M HN 0.534 nan 8.290 nan 0.000 0.445 261 E N 5.104 125.323 120.200 0.032 0.000 2.079 261 E HA 0.272 4.224 4.350 -0.664 0.000 0.252 261 E C -0.854 175.762 176.600 0.028 0.000 0.992 261 E CA -0.437 55.982 56.400 0.032 0.000 0.829 261 E CB 0.479 30.210 29.700 0.052 0.000 1.158 261 E HN 0.562 nan 8.360 nan 0.000 0.435 262 R N 1.886 122.394 120.500 0.013 0.000 2.679 262 R HA -0.024 3.918 4.340 -0.664 0.000 0.268 262 R C 1.221 177.520 176.300 -0.002 0.000 1.044 262 R CA -0.004 56.101 56.100 0.008 0.000 1.105 262 R CB 0.886 31.185 30.300 -0.002 0.000 0.989 262 R HN 0.597 nan 8.270 nan 0.000 0.447 263 E N 2.340 122.538 120.200 -0.003 0.000 2.051 263 E HA -0.237 3.715 4.350 -0.664 0.000 0.192 263 E C 1.544 178.125 176.600 -0.032 0.000 0.991 263 E CA 1.282 57.674 56.400 -0.013 0.000 0.799 263 E CB 0.206 29.902 29.700 -0.006 0.000 0.748 263 E HN 0.593 nan 8.360 nan 0.000 0.449 264 Q N 0.434 120.213 119.800 -0.035 0.000 2.364 264 Q HA -0.159 3.782 4.340 -0.664 0.000 0.207 264 Q C 1.020 176.979 176.000 -0.067 0.000 0.970 264 Q CA 1.206 56.975 55.803 -0.056 0.000 0.888 264 Q CB -0.119 28.587 28.738 -0.053 0.000 0.951 264 Q HN 0.278 nan 8.270 nan 0.000 0.469 265 D N 1.019 121.388 120.400 -0.052 0.000 2.178 265 D HA 0.023 4.264 4.640 -0.664 0.000 0.202 265 D C 0.105 176.365 176.300 -0.066 0.000 0.974 265 D CA 0.644 54.610 54.000 -0.056 0.000 0.841 265 D CB 0.309 41.085 40.800 -0.039 0.000 0.953 265 D HN 0.151 nan 8.370 nan 0.000 0.478 266 S N -0.477 115.186 115.700 -0.062 0.000 2.621 266 S HA 0.462 4.533 4.470 -0.664 0.000 0.302 266 S C 0.199 174.742 174.600 -0.096 0.000 1.093 266 S CA -0.709 57.452 58.200 -0.065 0.000 1.017 266 S CB 2.115 65.293 63.200 -0.038 0.000 1.077 266 S HN -0.025 nan 8.310 nan 0.000 0.517 267 I N 2.377 122.880 120.570 -0.111 0.000 2.533 267 I HA 0.134 3.905 4.170 -0.664 0.000 0.284 267 I C -0.375 175.672 176.117 -0.116 0.000 1.109 267 I CA 0.169 61.383 61.300 -0.142 0.000 1.412 267 I CB 0.192 38.094 38.000 -0.164 0.000 1.396 267 I HN 0.438 nan 8.210 nan 0.000 0.543 268 I N 7.394 127.878 120.570 -0.143 0.000 2.472 268 I HA 0.327 4.099 4.170 -0.664 0.000 0.290 268 I C -0.008 175.990 176.117 -0.199 0.000 1.016 268 I CA -0.055 61.162 61.300 -0.139 0.000 1.348 268 I CB 0.794 38.716 38.000 -0.130 0.000 1.417 268 I HN 0.469 nan 8.210 nan 0.000 0.521 269 M N 5.663 125.176 119.600 -0.145 0.000 2.098 269 M HA 0.195 4.277 4.480 -0.664 0.000 0.265 269 M C -1.125 175.118 176.300 -0.094 0.000 0.940 269 M CA -0.896 54.314 55.300 -0.150 0.000 1.007 269 M CB 1.375 33.925 32.600 -0.083 0.000 1.823 269 M HN 0.604 nan 8.290 nan 0.000 0.453 270 D N 1.943 122.279 120.400 -0.107 0.000 2.567 270 D HA -0.117 4.124 4.640 -0.664 0.000 0.228 270 D C 1.010 177.298 176.300 -0.019 0.000 1.185 270 D CA 0.437 54.413 54.000 -0.040 0.000 0.874 270 D CB 0.588 41.395 40.800 0.012 0.000 1.219 270 D HN 0.669 nan 8.370 nan 0.000 0.494 271 A N 2.011 124.822 122.820 -0.015 0.000 1.892 271 A HA -0.111 3.811 4.320 -0.664 0.000 0.218 271 A C 2.336 179.927 177.584 0.012 0.000 1.188 271 A CA 3.074 55.108 52.037 -0.006 0.000 0.631 271 A CB -1.072 17.917 19.000 -0.018 0.000 0.822 271 A HN 0.793 nan 8.150 nan 0.000 0.447 272 A N -1.502 121.328 122.820 0.016 0.000 1.940 272 A HA -0.101 3.821 4.320 -0.664 0.000 0.219 272 A C 2.315 179.917 177.584 0.030 0.000 1.176 272 A CA 2.359 54.411 52.037 0.026 0.000 0.631 272 A CB -1.218 17.802 19.000 0.033 0.000 0.814 272 A HN 0.443 nan 8.150 nan 0.000 0.446 273 T N -0.964 113.604 114.554 0.024 0.000 2.777 273 T HA -0.097 3.855 4.350 -0.664 0.000 0.266 273 T C 2.092 176.801 174.700 0.014 0.000 1.040 273 T CA 1.462 63.570 62.100 0.013 0.000 1.141 273 T CB -0.189 68.662 68.868 -0.027 0.000 0.868 273 T HN 0.494 nan 8.240 nan 0.000 0.444 274 R N 0.482 120.998 120.500 0.027 0.000 2.091 274 R HA 0.004 3.945 4.340 -0.664 0.000 0.238 274 R C 2.671 179.013 176.300 0.070 0.000 1.136 274 R CA 1.418 57.559 56.100 0.069 0.000 0.959 274 R CB -0.092 30.277 30.300 0.116 0.000 0.856 274 R HN 0.207 nan 8.270 nan 0.000 0.437 275 R N -0.303 120.229 120.500 0.054 0.000 2.119 275 R HA -0.014 3.928 4.340 -0.664 0.000 0.222 275 R C 1.478 177.803 176.300 0.042 0.000 1.088 275 R CA 1.239 57.368 56.100 0.049 0.000 0.984 275 R CB 0.043 30.364 30.300 0.036 0.000 0.884 275 R HN 0.187 nan 8.270 nan 0.000 0.447 276 N N 0.182 118.904 118.700 0.036 0.000 2.354 276 N HA -0.041 4.301 4.740 -0.664 0.000 0.179 276 N C 1.362 176.898 175.510 0.043 0.000 1.021 276 N CA 0.763 53.835 53.050 0.037 0.000 0.887 276 N CB 0.122 38.630 38.487 0.034 0.000 0.974 276 N HN 0.185 nan 8.380 nan 0.000 0.437 277 L N 0.476 121.718 121.223 0.032 0.000 2.418 277 L HA 0.114 4.055 4.340 -0.664 0.000 0.218 277 L C -0.275 176.614 176.870 0.032 0.000 1.125 277 L CA 0.192 55.046 54.840 0.023 0.000 0.835 277 L CB -0.365 41.684 42.059 -0.016 0.000 0.953 277 L HN 0.143 nan 8.230 nan 0.000 0.454 278 E N 0.010 120.233 120.200 0.038 0.000 2.240 278 E HA -0.254 3.698 4.350 -0.664 0.000 0.194 278 E C 0.881 177.493 176.600 0.019 0.000 1.385 278 E CA 0.043 56.469 56.400 0.043 0.000 0.686 278 E CB -1.436 28.297 29.700 0.055 0.000 1.125 278 E HN 0.482 nan 8.360 nan 0.000 0.359 279 I N 0.021 120.580 120.570 -0.018 0.000 2.163 279 I HA -0.230 3.542 4.170 -0.664 0.000 0.240 279 I C 2.543 178.634 176.117 -0.044 0.000 1.081 279 I CA 2.147 63.377 61.300 -0.118 0.000 1.353 279 I CB -0.172 37.583 38.000 -0.408 0.000 1.054 279 I HN 0.526 nan 8.210 nan 0.000 0.407 280 T N -3.946 110.652 114.554 0.073 0.000 2.964 280 T HA 0.100 4.052 4.350 -0.664 0.000 0.250 280 T C 0.732 175.488 174.700 0.093 0.000 0.982 280 T CA -0.305 61.867 62.100 0.119 0.000 0.959 280 T CB 0.286 69.296 68.868 0.236 0.000 1.141 280 T HN 0.149 nan 8.240 nan 0.000 0.494 281 Q N 2.449 122.307 119.800 0.097 0.000 2.327 281 Q HA 0.413 4.354 4.340 -0.664 0.000 0.270 281 Q C -1.175 174.858 176.000 0.055 0.000 1.022 281 Q CA -0.769 55.074 55.803 0.067 0.000 0.773 281 Q CB 1.257 30.034 28.738 0.065 0.000 1.251 281 Q HN 0.566 nan 8.270 nan 0.000 0.457 282 N N 2.470 121.196 118.700 0.042 0.000 2.415 282 N HA -0.012 4.330 4.740 -0.664 0.000 0.248 282 N C 0.907 176.437 175.510 0.033 0.000 1.271 282 N CA -0.208 52.865 53.050 0.037 0.000 0.913 282 N CB 0.644 39.149 38.487 0.030 0.000 1.129 282 N HN 0.641 nan 8.380 nan 0.000 0.444 283 L N -0.743 120.498 121.223 0.030 0.000 2.089 283 L HA -0.215 3.726 4.340 -0.664 0.000 0.213 283 L C 1.937 178.819 176.870 0.020 0.000 1.079 283 L CA 1.714 56.569 54.840 0.025 0.000 0.758 283 L CB -0.595 41.477 42.059 0.023 0.000 0.891 283 L HN 0.854 nan 8.230 nan 0.000 0.433 284 A N -0.816 122.015 122.820 0.018 0.000 2.359 284 A HA 0.381 4.302 4.320 -0.664 0.000 0.240 284 A C 1.677 179.270 177.584 0.015 0.000 1.306 284 A CA 0.679 52.725 52.037 0.015 0.000 0.898 284 A CB -0.555 18.453 19.000 0.012 0.000 0.956 284 A HN 0.565 nan 8.150 nan 0.000 0.497 285 G N -1.451 107.359 108.800 0.018 0.000 2.299 285 G HA2 -0.167 3.395 3.960 -0.664 0.000 0.237 285 G HA3 -0.167 3.395 3.960 -0.664 0.000 0.237 285 G C 1.057 175.967 174.900 0.018 0.000 1.027 285 G CA 0.336 45.446 45.100 0.017 0.000 0.619 285 G HN 1.419 nan 8.290 nan 0.000 0.513 286 G N -0.557 108.253 108.800 0.017 0.000 2.486 286 G HA2 0.593 4.154 3.960 -0.664 0.000 0.272 286 G HA3 0.593 4.154 3.960 -0.664 0.000 0.272 286 G C 0.937 175.850 174.900 0.022 0.000 1.426 286 G CA 1.386 46.495 45.100 0.016 0.000 1.058 286 G HN 1.595 nan 8.290 nan 0.000 0.531 287 A N -1.612 121.220 122.820 0.020 0.000 2.704 287 A HA 0.464 4.386 4.320 -0.664 0.000 0.260 287 A C 0.505 178.103 177.584 0.023 0.000 1.144 287 A CA 0.028 52.080 52.037 0.025 0.000 0.985 287 A CB 0.274 19.288 19.000 0.023 0.000 1.256 287 A HN 0.521 nan 8.150 nan 0.000 0.598 288 E N 0.455 120.667 120.200 0.020 0.000 2.561 288 E HA 0.291 4.243 4.350 -0.664 0.000 0.254 288 E C -0.260 176.355 176.600 0.024 0.000 1.213 288 E CA -0.845 55.567 56.400 0.019 0.000 0.995 288 E CB 0.270 29.978 29.700 0.014 0.000 1.233 288 E HN 0.319 nan 8.360 nan 0.000 0.556 289 N N 0.809 119.523 118.700 0.024 0.000 2.698 289 N HA -0.214 4.128 4.740 -0.664 0.000 0.258 289 N C -0.882 174.651 175.510 0.038 0.000 0.978 289 N CA 1.193 54.260 53.050 0.027 0.000 0.777 289 N CB -1.132 37.367 38.487 0.019 0.000 0.907 289 N HN 0.376 nan 8.380 nan 0.000 0.543 290 T N -1.235 113.344 114.554 0.042 0.000 2.901 290 T HA 0.439 4.390 4.350 -0.664 0.000 0.293 290 T C 1.098 175.827 174.700 0.047 0.000 1.084 290 T CA -0.767 61.362 62.100 0.048 0.000 1.008 290 T CB 1.620 70.512 68.868 0.040 0.000 1.170 290 T HN 0.022 nan 8.240 nan 0.000 0.509 291 L N 3.168 124.414 121.223 0.039 0.000 2.079 291 L HA 0.178 4.119 4.340 -0.664 0.000 0.210 291 L C 2.495 179.379 176.870 0.023 0.000 1.081 291 L CA 2.716 57.570 54.840 0.023 0.000 0.752 291 L CB -0.971 41.079 42.059 -0.016 0.000 0.896 291 L HN 0.824 nan 8.230 nan 0.000 0.433 292 A N -1.076 121.755 122.820 0.019 0.000 1.929 292 A HA -0.164 3.757 4.320 -0.664 0.000 0.216 292 A C 2.483 180.082 177.584 0.024 0.000 1.176 292 A CA 1.613 53.663 52.037 0.021 0.000 0.628 292 A CB -1.086 17.930 19.000 0.026 0.000 0.816 292 A HN 0.644 nan 8.150 nan 0.000 0.444 293 S N -0.136 115.580 115.700 0.027 0.000 2.392 293 S HA -0.174 3.898 4.470 -0.664 0.000 0.232 293 S C 1.690 176.305 174.600 0.026 0.000 1.041 293 S CA 1.915 60.129 58.200 0.024 0.000 1.026 293 S CB -0.868 62.348 63.200 0.026 0.000 0.845 293 S HN 0.293 nan 8.310 nan 0.000 0.465 294 V N 1.002 120.938 119.914 0.037 0.000 2.599 294 V HA 0.215 3.937 4.120 -0.664 0.000 0.245 294 V C 2.285 178.410 176.094 0.051 0.000 1.046 294 V CA 1.085 63.413 62.300 0.046 0.000 1.065 294 V CB -0.508 31.356 31.823 0.068 0.000 0.703 294 V HN 0.461 nan 8.190 nan 0.000 0.464 295 L N -0.255 121.000 121.223 0.054 0.000 2.585 295 L HA 0.211 4.153 4.340 -0.664 0.000 0.226 295 L C 0.594 177.481 176.870 0.028 0.000 1.113 295 L CA 0.416 55.293 54.840 0.062 0.000 0.876 295 L CB 0.158 42.262 42.059 0.075 0.000 1.072 295 L HN 0.304 nan 8.230 nan 0.000 0.468 296 D N -0.448 119.960 120.400 0.014 0.000 2.622 296 D HA 0.128 4.369 4.640 -0.664 0.000 0.262 296 D C -0.200 176.094 176.300 -0.010 0.000 1.189 296 D CA -0.204 53.793 54.000 -0.005 0.000 0.985 296 D CB 0.212 41.009 40.800 -0.005 0.000 0.994 296 D HN -0.035 nan 8.370 nan 0.000 0.513 297 C N 2.827 122.119 119.300 -0.013 0.000 2.339 297 C HA 0.273 4.335 4.460 -0.664 0.000 0.361 297 C C 0.950 175.926 174.990 -0.024 0.000 1.378 297 C CA -0.427 58.581 59.018 -0.016 0.000 1.763 297 C CB -1.949 25.783 27.740 -0.014 0.000 2.632 297 C HN 0.584 nan 8.230 nan 0.000 0.576 298 T N -1.755 112.779 114.554 -0.033 0.000 2.788 298 T HA 0.393 4.344 4.350 -0.664 0.000 0.287 298 T C 1.127 175.807 174.700 -0.033 0.000 1.007 298 T CA 0.004 62.078 62.100 -0.043 0.000 1.005 298 T CB 1.251 70.080 68.868 -0.065 0.000 1.012 298 T HN 0.312 nan 8.240 nan 0.000 0.530 299 V N -2.423 117.472 119.914 -0.032 0.000 3.307 299 V HA 0.266 3.988 4.120 -0.664 0.000 0.244 299 V C 1.190 177.269 176.094 -0.024 0.000 1.196 299 V CA 0.413 62.700 62.300 -0.022 0.000 1.132 299 V CB -0.895 30.919 31.823 -0.014 0.000 0.875 299 V HN 1.126 nan 8.190 nan 0.000 0.468 300 T N -1.593 112.942 114.554 -0.032 0.000 2.909 300 T HA 0.481 4.433 4.350 -0.664 0.000 0.289 300 T C -1.654 173.022 174.700 -0.039 0.000 1.005 300 T CA -1.468 60.612 62.100 -0.033 0.000 1.084 300 T CB 1.435 70.282 68.868 -0.035 0.000 0.975 300 T HN 0.102 nan 8.240 nan 0.000 0.509 301 P HA -0.101 nan 4.420 nan 0.000 0.218 301 P C 1.868 179.144 177.300 -0.041 0.000 1.149 301 P CA 1.161 64.240 63.100 -0.035 0.000 0.817 301 P CB -0.180 31.502 31.700 -0.030 0.000 0.785 302 M N -2.666 116.908 119.600 -0.042 0.000 2.296 302 M HA 0.094 4.175 4.480 -0.664 0.000 0.265 302 M C 1.927 178.184 176.300 -0.070 0.000 1.064 302 M CA 2.270 57.543 55.300 -0.045 0.000 1.109 302 M CB -1.416 31.162 32.600 -0.036 0.000 1.396 302 M HN -0.180 nan 8.290 nan 0.000 0.430 303 G N 0.097 108.847 108.800 -0.082 0.000 2.494 303 G HA2 -0.100 3.462 3.960 -0.664 0.000 0.216 303 G HA3 -0.100 3.462 3.960 -0.664 0.000 0.216 303 G C 1.519 176.337 174.900 -0.136 0.000 1.140 303 G CA 0.714 45.738 45.100 -0.127 0.000 0.801 303 G HN 0.523 nan 8.290 nan 0.000 0.536 304 S N 0.234 115.881 115.700 -0.088 0.000 2.368 304 S HA -0.057 4.014 4.470 -0.664 0.000 0.224 304 S C 2.485 177.042 174.600 -0.070 0.000 1.029 304 S CA 1.084 59.241 58.200 -0.072 0.000 0.988 304 S CB -0.184 62.991 63.200 -0.043 0.000 0.838 304 S HN 0.422 nan 8.310 nan 0.000 0.462 305 R N 0.244 120.707 120.500 -0.061 0.000 2.075 305 R HA 0.016 3.958 4.340 -0.664 0.000 0.232 305 R C 2.557 178.822 176.300 -0.059 0.000 1.126 305 R CA 1.626 57.703 56.100 -0.039 0.000 0.963 305 R CB -0.402 29.882 30.300 -0.026 0.000 0.858 305 R HN 0.502 nan 8.270 nan 0.000 0.435 306 M N 0.817 120.340 119.600 -0.128 0.000 2.229 306 M HA -0.127 3.954 4.480 -0.664 0.000 0.264 306 M C 2.007 178.065 176.300 -0.404 0.000 1.063 306 M CA 1.320 56.476 55.300 -0.239 0.000 1.114 306 M CB 0.019 32.421 32.600 -0.330 0.000 1.387 306 M HN 0.154 nan 8.290 nan 0.000 0.420 307 L N 0.686 121.708 121.223 -0.334 0.000 2.056 307 L HA -0.145 3.797 4.340 -0.664 0.000 0.207 307 L C 2.023 178.865 176.870 -0.046 0.000 1.078 307 L CA 1.964 56.638 54.840 -0.277 0.000 0.749 307 L CB -0.705 41.252 42.059 -0.170 0.000 0.901 307 L HN 0.222 nan 8.230 nan 0.000 0.433 308 K N -0.910 119.490 120.400 -0.001 0.000 2.097 308 K HA -0.137 3.785 4.320 -0.664 0.000 0.206 308 K C 2.237 178.959 176.600 0.204 0.000 1.049 308 K CA 1.291 57.640 56.287 0.103 0.000 0.933 308 K CB -0.114 32.446 32.500 0.100 0.000 0.717 308 K HN 0.324 nan 8.250 nan 0.000 0.442 309 R N -0.114 120.483 120.500 0.162 0.000 2.070 309 R HA -0.158 3.783 4.340 -0.664 0.000 0.232 309 R C 2.115 178.630 176.300 0.358 0.000 1.138 309 R CA 1.793 58.035 56.100 0.237 0.000 0.936 309 R CB -0.353 30.070 30.300 0.205 0.000 0.839 309 R HN 0.276 nan 8.270 nan 0.000 0.429 310 W N 1.225 122.569 121.300 0.073 0.000 2.305 310 W HA -0.173 4.081 4.660 -0.677 0.000 0.308 310 W C 2.059 178.608 176.519 0.049 0.000 1.226 310 W CA 0.908 58.288 57.345 0.059 0.000 1.253 310 W CB -0.947 28.541 29.460 0.047 0.000 1.146 310 W HN 0.135 nan 8.180 nan 0.000 0.507 311 L N -1.347 120.036 121.223 0.268 0.000 2.131 311 L HA -0.209 3.733 4.340 -0.664 0.000 0.210 311 L C 2.312 179.172 176.870 -0.016 0.000 1.092 311 L CA 1.164 56.055 54.840 0.086 0.000 0.759 311 L CB -0.884 41.170 42.059 -0.009 0.000 0.903 311 L HN 0.083 nan 8.230 nan 0.000 0.435 312 H N -1.404 117.728 119.070 0.103 0.000 2.551 312 H HA 0.168 4.329 4.556 -0.659 0.000 0.266 312 H C 0.598 175.959 175.328 0.055 0.000 0.977 312 H CA 0.547 56.633 56.048 0.065 0.000 1.163 312 H CB 0.533 30.331 29.762 0.060 0.000 1.381 312 H HN 0.270 nan 8.280 nan 0.000 0.581 313 M N 1.914 121.612 119.600 0.163 0.000 2.693 313 M HA 0.219 4.301 4.480 -0.664 0.000 0.224 313 M C -2.610 173.715 176.300 0.041 0.000 1.149 313 M CA -1.697 53.659 55.300 0.093 0.000 0.622 313 M CB 1.940 34.599 32.600 0.098 0.000 1.443 313 M HN -0.180 nan 8.290 nan 0.000 0.431 314 P HA 0.090 nan 4.420 nan 0.000 0.268 314 P C -0.631 176.672 177.300 0.005 0.000 1.205 314 P CA -0.019 63.105 63.100 0.040 0.000 0.771 314 P CB 0.819 32.555 31.700 0.061 0.000 0.858 315 V N 2.131 122.050 119.914 0.008 0.000 2.581 315 V HA 0.428 4.150 4.120 -0.664 0.000 0.303 315 V C 1.230 177.335 176.094 0.017 0.000 1.041 315 V CA -0.763 61.521 62.300 -0.027 0.000 0.907 315 V CB 1.991 33.767 31.823 -0.079 0.000 0.994 315 V HN 0.388 nan 8.190 nan 0.000 0.442 316 R N 0.944 121.408 120.500 -0.060 0.000 2.236 316 R HA 0.069 4.011 4.340 -0.664 0.000 0.208 316 R C 0.105 176.379 176.300 -0.044 0.000 1.036 316 R CA 0.653 56.695 56.100 -0.097 0.000 1.001 316 R CB 0.065 30.266 30.300 -0.164 0.000 0.896 316 R HN 0.930 nan 8.270 nan 0.000 0.464 317 D N 0.774 121.133 120.400 -0.069 0.000 2.359 317 D HA -0.030 4.212 4.640 -0.664 0.000 0.250 317 D C 1.110 177.309 176.300 -0.168 0.000 1.264 317 D CA 0.108 54.044 54.000 -0.106 0.000 0.911 317 D CB 1.175 41.919 40.800 -0.093 0.000 1.056 317 D HN 0.120 nan 8.370 nan 0.000 0.499 318 T N 1.640 116.034 114.554 -0.266 0.000 2.803 318 T HA -0.243 3.708 4.350 -0.664 0.000 0.269 318 T C 1.890 176.434 174.700 -0.262 0.000 1.052 318 T CA 0.839 62.652 62.100 -0.479 0.000 1.136 318 T CB -0.085 68.407 68.868 -0.627 0.000 0.864 318 T HN 0.340 nan 8.240 nan 0.000 0.467 319 R N 0.560 120.965 120.500 -0.158 0.000 2.171 319 R HA -0.124 3.817 4.340 -0.664 0.000 0.232 319 R C 2.581 178.829 176.300 -0.086 0.000 1.116 319 R CA 2.086 58.129 56.100 -0.095 0.000 0.901 319 R CB -1.242 29.015 30.300 -0.073 0.000 0.850 319 R HN 0.304 nan 8.270 nan 0.000 0.431 320 V N 1.540 121.396 119.914 -0.097 0.000 2.370 320 V HA -0.280 3.441 4.120 -0.664 0.000 0.252 320 V C 2.283 178.321 176.094 -0.093 0.000 1.068 320 V CA 1.849 64.089 62.300 -0.099 0.000 1.061 320 V CB -0.537 31.205 31.823 -0.135 0.000 0.656 320 V HN 0.285 nan 8.190 nan 0.000 0.455 321 L N -1.245 119.918 121.223 -0.100 0.000 1.982 321 L HA -0.117 3.825 4.340 -0.664 0.000 0.206 321 L C 2.399 179.297 176.870 0.046 0.000 1.078 321 L CA 1.386 56.201 54.840 -0.041 0.000 0.749 321 L CB -0.777 41.234 42.059 -0.080 0.000 0.894 321 L HN 0.194 nan 8.230 nan 0.000 0.436 322 L N 0.124 121.379 121.223 0.053 0.000 2.123 322 L HA -0.329 3.613 4.340 -0.664 0.000 0.217 322 L C 2.750 179.665 176.870 0.076 0.000 1.081 322 L CA 1.804 56.709 54.840 0.109 0.000 0.772 322 L CB -0.364 41.738 42.059 0.072 0.000 0.890 322 L HN 0.437 nan 8.230 nan 0.000 0.437 323 E N -0.298 119.923 120.200 0.035 0.000 2.072 323 E HA -0.217 3.735 4.350 -0.664 0.000 0.190 323 E C 2.313 178.942 176.600 0.048 0.000 0.982 323 E CA 0.696 57.115 56.400 0.032 0.000 0.803 323 E CB 0.026 29.729 29.700 0.005 0.000 0.755 323 E HN 0.404 nan 8.360 nan 0.000 0.453 324 R N 0.233 120.758 120.500 0.042 0.000 2.073 324 R HA -0.146 3.796 4.340 -0.664 0.000 0.234 324 R C 2.679 179.049 176.300 0.116 0.000 1.134 324 R CA 1.997 58.139 56.100 0.071 0.000 0.952 324 R CB -0.190 30.131 30.300 0.037 0.000 0.850 324 R HN 0.338 nan 8.270 nan 0.000 0.433 325 Q N 0.331 120.222 119.800 0.152 0.000 2.045 325 Q HA -0.275 3.666 4.340 -0.664 0.000 0.206 325 Q C 2.147 178.272 176.000 0.209 0.000 0.991 325 Q CA 1.834 57.781 55.803 0.241 0.000 0.851 325 Q CB -0.157 28.716 28.738 0.226 0.000 0.911 325 Q HN 0.510 nan 8.270 nan 0.000 0.418 326 Q N -0.440 119.443 119.800 0.138 0.000 2.123 326 Q HA -0.075 3.867 4.340 -0.664 0.000 0.199 326 Q C 2.143 178.192 176.000 0.082 0.000 0.966 326 Q CA 1.440 57.310 55.803 0.111 0.000 0.845 326 Q CB 0.072 28.858 28.738 0.080 0.000 0.907 326 Q HN 0.346 nan 8.270 nan 0.000 0.439 327 T N 1.480 116.074 114.554 0.068 0.000 2.652 327 T HA -0.157 3.795 4.350 -0.664 0.000 0.267 327 T C 1.848 176.568 174.700 0.033 0.000 1.039 327 T CA 1.154 63.282 62.100 0.047 0.000 1.153 327 T CB -0.232 68.671 68.868 0.059 0.000 0.863 327 T HN 0.213 nan 8.240 nan 0.000 0.428 328 I N 1.042 121.626 120.570 0.024 0.000 2.286 328 I HA -0.107 3.665 4.170 -0.664 0.000 0.248 328 I C 2.798 178.854 176.117 -0.102 0.000 1.115 328 I CA 1.297 62.558 61.300 -0.064 0.000 1.392 328 I CB -0.530 37.377 38.000 -0.156 0.000 1.065 328 I HN 0.331 nan 8.210 nan 0.000 0.418 329 G N 0.015 108.808 108.800 -0.011 0.000 2.464 329 G HA2 -0.044 3.517 3.960 -0.664 0.000 0.217 329 G HA3 -0.044 3.517 3.960 -0.664 0.000 0.217 329 G C 1.823 176.762 174.900 0.066 0.000 1.138 329 G CA 0.646 45.780 45.100 0.057 0.000 0.793 329 G HN 0.460 nan 8.290 nan 0.000 0.539 330 A N 0.760 123.623 122.820 0.072 0.000 1.898 330 A HA 0.182 4.103 4.320 -0.664 0.000 0.216 330 A C 2.171 179.868 177.584 0.188 0.000 1.181 330 A CA 0.828 52.929 52.037 0.107 0.000 0.620 330 A CB -0.327 18.706 19.000 0.054 0.000 0.819 330 A HN 0.311 nan 8.150 nan 0.000 0.442 331 L N 0.084 121.377 121.223 0.118 0.000 2.610 331 L HA -0.071 3.870 4.340 -0.664 0.000 0.232 331 L C 2.425 179.366 176.870 0.119 0.000 1.149 331 L CA 0.383 55.334 54.840 0.184 0.000 0.872 331 L CB -0.310 41.784 42.059 0.058 0.000 0.992 331 L HN 0.527 nan 8.230 nan 0.000 0.447 332 Q N 0.818 120.626 119.800 0.013 0.000 2.082 332 Q HA -0.301 3.641 4.340 -0.664 0.000 0.211 332 Q C 1.312 177.170 176.000 -0.236 0.000 1.002 332 Q CA 2.527 58.246 55.803 -0.141 0.000 0.868 332 Q CB 0.031 28.672 28.738 -0.163 0.000 0.931 332 Q HN 0.513 nan 8.270 nan 0.000 0.414 333 D N -0.620 119.652 120.400 -0.214 0.000 2.097 333 D HA -0.114 4.127 4.640 -0.664 0.000 0.197 333 D C 1.516 177.609 176.300 -0.345 0.000 0.984 333 D CA 0.997 54.764 54.000 -0.387 0.000 0.826 333 D CB -0.401 40.061 40.800 -0.565 0.000 0.973 333 D HN 0.289 nan 8.370 nan 0.000 0.460 334 F N 0.738 120.634 119.950 -0.091 0.000 2.816 334 F HA 0.063 4.187 4.527 -0.671 0.000 0.302 334 F C 2.260 178.028 175.800 -0.054 0.000 1.178 334 F CA 0.257 58.221 58.000 -0.060 0.000 1.421 334 F CB -0.544 38.430 39.000 -0.044 0.000 1.114 334 F HN -0.180 nan 8.300 nan 0.000 0.573 335 T N 0.347 114.938 114.554 0.061 0.000 2.622 335 T HA -0.263 3.688 4.350 -0.664 0.000 0.266 335 T C 2.423 177.138 174.700 0.024 0.000 1.047 335 T CA 1.734 63.852 62.100 0.030 0.000 1.159 335 T CB -0.434 68.430 68.868 -0.008 0.000 0.863 335 T HN 0.367 nan 8.240 nan 0.000 0.422 336 A N 1.060 123.882 122.820 0.003 0.000 1.908 336 A HA 0.054 3.975 4.320 -0.664 0.000 0.218 336 A C 2.579 180.173 177.584 0.017 0.000 1.181 336 A CA 2.019 54.059 52.037 0.006 0.000 0.627 336 A CB -1.311 17.685 19.000 -0.007 0.000 0.818 336 A HN 0.545 nan 8.150 nan 0.000 0.445 337 G N -1.315 107.501 108.800 0.028 0.000 2.471 337 G HA2 0.057 3.619 3.960 -0.664 0.000 0.219 337 G HA3 0.057 3.619 3.960 -0.664 0.000 0.219 337 G C 1.294 176.224 174.900 0.050 0.000 1.125 337 G CA 1.013 46.139 45.100 0.043 0.000 0.775 337 G HN 0.343 nan 8.290 nan 0.000 0.548 338 L N -0.178 121.079 121.223 0.055 0.000 2.200 338 L HA 0.216 4.157 4.340 -0.664 0.000 0.200 338 L C 2.899 179.782 176.870 0.022 0.000 1.072 338 L CA 1.049 55.914 54.840 0.042 0.000 0.787 338 L CB -1.081 41.007 42.059 0.049 0.000 0.957 338 L HN 0.231 nan 8.230 nan 0.000 0.459 339 Q N -0.049 119.762 119.800 0.018 0.000 2.030 339 Q HA -0.195 3.747 4.340 -0.664 0.000 0.204 339 Q C -0.490 175.515 176.000 0.008 0.000 0.986 339 Q CA 2.050 57.858 55.803 0.008 0.000 0.843 339 Q CB -1.261 27.480 28.738 0.005 0.000 0.904 339 Q HN 0.390 nan 8.270 nan 0.000 0.420 340 P HA -0.117 nan 4.420 nan 0.000 0.219 340 P C 1.230 178.538 177.300 0.014 0.000 1.146 340 P CA 1.056 64.164 63.100 0.013 0.000 0.808 340 P CB 0.066 31.774 31.700 0.014 0.000 0.779 341 V N -0.851 119.070 119.914 0.011 0.000 2.379 341 V HA -0.126 3.595 4.120 -0.664 0.000 0.243 341 V C 2.418 178.514 176.094 0.003 0.000 1.035 341 V CA 1.143 63.445 62.300 0.005 0.000 1.035 341 V CB -1.229 30.596 31.823 0.003 0.000 0.673 341 V HN 0.028 nan 8.190 nan 0.000 0.457 342 L N 0.172 121.398 121.223 0.004 0.000 2.129 342 L HA -0.252 3.690 4.340 -0.664 0.000 0.212 342 L C 2.771 179.641 176.870 0.000 0.000 1.087 342 L CA 1.963 56.803 54.840 -0.000 0.000 0.757 342 L CB -0.468 41.589 42.059 -0.004 0.000 0.896 342 L HN 0.326 nan 8.230 nan 0.000 0.434 343 R N -0.522 119.981 120.500 0.005 0.000 2.096 343 R HA -0.191 3.750 4.340 -0.664 0.000 0.235 343 R C 2.228 178.542 176.300 0.023 0.000 1.127 343 R CA 1.231 57.336 56.100 0.008 0.000 0.968 343 R CB -0.004 30.302 30.300 0.010 0.000 0.861 343 R HN 0.331 nan 8.270 nan 0.000 0.440 344 Q N 0.145 119.970 119.800 0.040 0.000 2.291 344 Q HA -0.078 3.864 4.340 -0.664 0.000 0.205 344 Q C 2.167 178.215 176.000 0.081 0.000 0.970 344 Q CA 0.925 56.785 55.803 0.095 0.000 0.876 344 Q CB -0.229 28.562 28.738 0.089 0.000 0.935 344 Q HN 0.248 nan 8.270 nan 0.000 0.455 345 V N 0.012 119.937 119.914 0.018 0.000 2.287 345 V HA -0.177 3.545 4.120 -0.664 0.000 0.248 345 V C 1.448 177.530 176.094 -0.019 0.000 1.053 345 V CA 1.855 64.148 62.300 -0.012 0.000 1.027 345 V CB -1.093 30.719 31.823 -0.017 0.000 0.646 345 V HN 0.620 nan 8.190 nan 0.000 0.447 346 G N -0.302 108.490 108.800 -0.013 0.000 2.615 346 G HA2 -0.253 3.309 3.960 -0.664 0.000 0.218 346 G HA3 -0.253 3.309 3.960 -0.664 0.000 0.218 346 G C -0.269 174.609 174.900 -0.036 0.000 1.339 346 G CA 0.108 45.195 45.100 -0.022 0.000 0.884 346 G HN 0.337 nan 8.290 nan 0.000 0.559 347 D N 0.659 121.035 120.400 -0.041 0.000 2.994 347 D HA 0.280 4.522 4.640 -0.664 0.000 0.240 347 D C 1.915 178.183 176.300 -0.053 0.000 1.195 347 D CA -0.288 53.686 54.000 -0.042 0.000 0.957 347 D CB 0.124 40.901 40.800 -0.038 0.000 1.105 347 D HN 0.462 nan 8.370 nan 0.000 0.477 348 L N 1.089 122.276 121.223 -0.061 0.000 2.265 348 L HA -0.047 3.895 4.340 -0.664 0.000 0.215 348 L C 1.826 178.658 176.870 -0.063 0.000 1.117 348 L CA 1.588 56.378 54.840 -0.083 0.000 0.782 348 L CB -0.213 41.788 42.059 -0.098 0.000 0.914 348 L HN 0.234 nan 8.230 nan 0.000 0.441 349 E N -0.527 119.649 120.200 -0.041 0.000 2.017 349 E HA -0.234 3.717 4.350 -0.664 0.000 0.193 349 E C 2.236 178.815 176.600 -0.036 0.000 0.997 349 E CA 1.220 57.605 56.400 -0.025 0.000 0.804 349 E CB -0.058 29.635 29.700 -0.012 0.000 0.757 349 E HN 0.467 nan 8.360 nan 0.000 0.448 350 R N 0.001 120.477 120.500 -0.040 0.000 2.115 350 R HA -0.074 3.868 4.340 -0.664 0.000 0.230 350 R C 2.481 178.742 176.300 -0.065 0.000 1.111 350 R CA 0.991 57.064 56.100 -0.046 0.000 0.976 350 R CB -0.301 29.977 30.300 -0.038 0.000 0.870 350 R HN 0.328 nan 8.270 nan 0.000 0.445 351 I N 0.619 121.150 120.570 -0.064 0.000 2.286 351 I HA -0.260 3.512 4.170 -0.664 0.000 0.248 351 I C 1.908 177.973 176.117 -0.087 0.000 1.115 351 I CA 0.811 62.070 61.300 -0.067 0.000 1.392 351 I CB -0.103 37.855 38.000 -0.071 0.000 1.065 351 I HN 0.058 nan 8.210 nan 0.000 0.418 352 L N 0.401 121.568 121.223 -0.092 0.000 2.275 352 L HA -0.059 3.883 4.340 -0.664 0.000 0.215 352 L C 2.514 179.281 176.870 -0.173 0.000 1.119 352 L CA 1.643 56.420 54.840 -0.104 0.000 0.790 352 L CB -1.213 40.805 42.059 -0.069 0.000 0.919 352 L HN 0.189 nan 8.230 nan 0.000 0.443 353 A N -0.815 121.889 122.820 -0.194 0.000 1.929 353 A HA -0.126 3.796 4.320 -0.664 0.000 0.216 353 A C 2.326 179.713 177.584 -0.327 0.000 1.176 353 A CA 0.900 52.725 52.037 -0.353 0.000 0.628 353 A CB -0.280 18.583 19.000 -0.229 0.000 0.816 353 A HN 0.358 nan 8.150 nan 0.000 0.444 354 R N -1.043 119.336 120.500 -0.201 0.000 2.276 354 R HA 0.092 4.033 4.340 -0.664 0.000 0.203 354 R C 1.818 177.979 176.300 -0.232 0.000 1.017 354 R CA 0.704 56.704 56.100 -0.167 0.000 1.010 354 R CB -0.341 29.913 30.300 -0.077 0.000 0.900 354 R HN 0.490 nan 8.270 nan 0.000 0.469 355 L N 0.724 121.795 121.223 -0.253 0.000 2.072 355 L HA -0.000 3.941 4.340 -0.664 0.000 0.205 355 L C 2.305 178.926 176.870 -0.416 0.000 1.079 355 L CA 1.492 56.107 54.840 -0.374 0.000 0.752 355 L CB -0.349 41.586 42.059 -0.206 0.000 0.906 355 L HN 0.072 nan 8.230 nan 0.000 0.436 356 A N -0.487 122.133 122.820 -0.333 0.000 1.858 356 A HA -0.164 3.758 4.320 -0.664 0.000 0.216 356 A C 2.001 179.432 177.584 -0.256 0.000 1.190 356 A CA 1.835 53.701 52.037 -0.285 0.000 0.617 356 A CB -0.943 17.826 19.000 -0.385 0.000 0.827 356 A HN 0.377 nan 8.150 nan 0.000 0.443 357 L N -1.506 119.552 121.223 -0.275 0.000 2.353 357 L HA -0.014 3.928 4.340 -0.664 0.000 0.220 357 L C 1.284 178.033 176.870 -0.201 0.000 1.133 357 L CA 1.575 56.303 54.840 -0.186 0.000 0.798 357 L CB -1.167 40.799 42.059 -0.155 0.000 0.922 357 L HN 0.520 nan 8.230 nan 0.000 0.445 358 R N -1.450 118.844 120.500 -0.343 0.000 3.854 358 R HA -0.168 3.774 4.340 -0.664 0.000 0.352 358 R C 1.036 177.216 176.300 -0.199 0.000 1.156 358 R CA 0.779 56.578 56.100 -0.502 0.000 0.917 358 R CB -2.588 27.532 30.300 -0.301 0.000 1.471 358 R HN 0.521 nan 8.270 nan 0.000 0.521 359 T N -3.135 111.346 114.554 -0.120 0.000 3.086 359 T HA 0.455 4.407 4.350 -0.664 0.000 0.250 359 T C 0.828 175.609 174.700 0.135 0.000 1.074 359 T CA 0.296 62.417 62.100 0.035 0.000 0.988 359 T CB 0.492 69.353 68.868 -0.010 0.000 0.988 359 T HN 0.423 nan 8.240 nan 0.000 0.530 360 A N 2.149 125.070 122.820 0.169 0.000 2.477 360 A HA 0.517 4.438 4.320 -0.664 0.000 0.246 360 A C 0.529 178.371 177.584 0.431 0.000 1.078 360 A CA -0.522 51.673 52.037 0.264 0.000 0.770 360 A CB 0.192 19.337 19.000 0.241 0.000 1.011 360 A HN 0.600 nan 8.150 nan 0.000 0.494 361 R N 2.530 123.178 120.500 0.247 0.000 2.691 361 R HA 0.338 4.280 4.340 -0.664 0.000 0.259 361 R C -1.953 174.450 176.300 0.171 0.000 1.048 361 R CA -1.907 54.303 56.100 0.183 0.000 1.086 361 R CB 0.034 30.376 30.300 0.069 0.000 1.166 361 R HN 0.362 nan 8.270 nan 0.000 0.526 362 P HA -0.189 nan 4.420 nan 0.000 0.216 362 P C 0.708 178.030 177.300 0.037 0.000 1.157 362 P CA 1.529 64.633 63.100 0.008 0.000 0.880 362 P CB 0.100 31.717 31.700 -0.140 0.000 0.791 363 R N -0.838 119.666 120.500 0.007 0.000 2.285 363 R HA -0.072 3.870 4.340 -0.664 0.000 0.213 363 R C 1.389 177.692 176.300 0.004 0.000 1.068 363 R CA 0.914 57.011 56.100 -0.006 0.000 1.004 363 R CB -0.631 29.657 30.300 -0.020 0.000 0.873 363 R HN 0.332 nan 8.270 nan 0.000 0.467 364 D N 0.608 121.030 120.400 0.037 0.000 2.216 364 D HA -0.003 4.238 4.640 -0.664 0.000 0.208 364 D C 2.017 178.334 176.300 0.027 0.000 0.960 364 D CA 0.677 54.695 54.000 0.031 0.000 0.861 364 D CB 0.159 40.997 40.800 0.064 0.000 0.985 364 D HN 0.147 nan 8.370 nan 0.000 0.493 365 L N 0.836 122.104 121.223 0.075 0.000 2.141 365 L HA -0.062 3.879 4.340 -0.664 0.000 0.209 365 L C 2.540 179.422 176.870 0.019 0.000 1.094 365 L CA 0.774 55.648 54.840 0.057 0.000 0.763 365 L CB -0.402 41.709 42.059 0.086 0.000 0.908 365 L HN -0.052 nan 8.230 nan 0.000 0.437 366 A N 0.349 123.180 122.820 0.019 0.000 1.898 366 A HA -0.167 3.754 4.320 -0.664 0.000 0.216 366 A C 2.396 179.973 177.584 -0.012 0.000 1.181 366 A CA 1.254 53.294 52.037 0.004 0.000 0.620 366 A CB -0.375 18.620 19.000 -0.009 0.000 0.819 366 A HN 0.301 nan 8.150 nan 0.000 0.442 367 R N -1.410 119.067 120.500 -0.038 0.000 2.189 367 R HA 0.072 4.013 4.340 -0.664 0.000 0.218 367 R C 2.202 178.436 176.300 -0.109 0.000 1.074 367 R CA 1.146 57.213 56.100 -0.054 0.000 0.991 367 R CB -0.266 29.997 30.300 -0.061 0.000 0.883 367 R HN 0.691 nan 8.270 nan 0.000 0.457 368 M N 0.577 120.075 119.600 -0.169 0.000 2.156 368 M HA -0.157 3.925 4.480 -0.664 0.000 0.264 368 M C 2.412 178.330 176.300 -0.636 0.000 1.067 368 M CA 1.539 56.597 55.300 -0.403 0.000 1.131 368 M CB -0.025 32.402 32.600 -0.288 0.000 1.368 368 M HN -0.039 nan 8.290 nan 0.000 0.416 369 R N -0.949 119.414 120.500 -0.229 0.000 2.073 369 R HA -0.240 3.701 4.340 -0.664 0.000 0.234 369 R C 2.349 178.647 176.300 -0.003 0.000 1.134 369 R CA 1.919 58.014 56.100 -0.007 0.000 0.952 369 R CB -0.991 29.375 30.300 0.109 0.000 0.850 369 R HN 0.563 nan 8.270 nan 0.000 0.433 370 H N -0.032 118.980 119.070 -0.096 0.000 2.422 370 H HA -0.108 4.049 4.556 -0.665 0.000 0.298 370 H C 1.708 176.993 175.328 -0.071 0.000 1.098 370 H CA 1.729 57.743 56.048 -0.057 0.000 1.315 370 H CB 0.147 29.875 29.762 -0.057 0.000 1.382 370 H HN 0.472 nan 8.280 nan 0.000 0.523 371 A N 0.502 123.246 122.820 -0.126 0.000 1.930 371 A HA -0.118 3.803 4.320 -0.664 0.000 0.217 371 A C 2.062 179.595 177.584 -0.085 0.000 1.175 371 A CA 0.941 52.879 52.037 -0.165 0.000 0.627 371 A CB -0.836 18.008 19.000 -0.259 0.000 0.815 371 A HN 0.300 nan 8.150 nan 0.000 0.443 372 F N 0.559 120.506 119.950 -0.006 0.000 2.216 372 F HA -0.167 3.962 4.527 -0.664 0.000 0.300 372 F C 2.582 178.378 175.800 -0.006 0.000 1.085 372 F CA 1.361 59.372 58.000 0.018 0.000 1.326 372 F CB -0.914 38.102 39.000 0.027 0.000 1.027 372 F HN 0.349 nan 8.300 nan 0.000 0.497 373 Q N -0.518 119.351 119.800 0.114 0.000 2.230 373 Q HA -0.166 3.776 4.340 -0.664 0.000 0.202 373 Q C 2.019 178.002 176.000 -0.028 0.000 0.963 373 Q CA 0.881 56.693 55.803 0.015 0.000 0.866 373 Q CB -0.182 28.514 28.738 -0.070 0.000 0.931 373 Q HN 0.343 nan 8.270 nan 0.000 0.452 374 Q N 0.520 120.289 119.800 -0.052 0.000 2.172 374 Q HA -0.023 3.919 4.340 -0.664 0.000 0.200 374 Q C 2.118 178.127 176.000 0.015 0.000 0.964 374 Q CA 0.838 56.617 55.803 -0.040 0.000 0.855 374 Q CB -0.216 28.490 28.738 -0.053 0.000 0.918 374 Q HN 0.415 nan 8.270 nan 0.000 0.444 375 L N 0.758 122.020 121.223 0.065 0.000 1.990 375 L HA -0.206 3.735 4.340 -0.664 0.000 0.213 375 L C -0.485 176.412 176.870 0.046 0.000 1.072 375 L CA 1.647 56.538 54.840 0.084 0.000 0.755 375 L CB -1.911 40.247 42.059 0.166 0.000 0.889 375 L HN 0.162 nan 8.230 nan 0.000 0.432 376 P HA -0.211 nan 4.420 nan 0.000 0.216 376 P C 1.348 178.653 177.300 0.008 0.000 1.153 376 P CA 1.320 64.429 63.100 0.015 0.000 0.858 376 P CB 0.094 31.802 31.700 0.013 0.000 0.789 377 E N -0.099 120.106 120.200 0.007 0.000 2.077 377 E HA -0.151 3.801 4.350 -0.664 0.000 0.193 377 E C 1.881 178.485 176.600 0.008 0.000 0.989 377 E CA 1.265 57.668 56.400 0.006 0.000 0.800 377 E CB -1.238 28.462 29.700 0.001 0.000 0.746 377 E HN 0.119 nan 8.360 nan 0.000 0.452 378 L N -0.041 121.187 121.223 0.007 0.000 2.083 378 L HA -0.113 3.829 4.340 -0.664 0.000 0.209 378 L C 2.741 179.607 176.870 -0.008 0.000 1.083 378 L CA 1.391 56.233 54.840 0.003 0.000 0.752 378 L CB -0.427 41.637 42.059 0.009 0.000 0.899 378 L HN 0.095 nan 8.230 nan 0.000 0.433 379 R N 0.091 120.588 120.500 -0.004 0.000 2.081 379 R HA -0.124 3.818 4.340 -0.664 0.000 0.235 379 R C 2.451 178.738 176.300 -0.021 0.000 1.131 379 R CA 1.305 57.395 56.100 -0.016 0.000 0.960 379 R CB -0.502 29.790 30.300 -0.012 0.000 0.856 379 R HN 0.350 nan 8.270 nan 0.000 0.436 380 A N 1.187 124.002 122.820 -0.009 0.000 1.940 380 A HA -0.220 3.702 4.320 -0.664 0.000 0.219 380 A C 2.003 179.587 177.584 0.001 0.000 1.176 380 A CA 1.317 53.353 52.037 -0.002 0.000 0.631 380 A CB -0.284 18.721 19.000 0.008 0.000 0.814 380 A HN 0.358 nan 8.150 nan 0.000 0.446 381 Q N -0.703 119.097 119.800 -0.001 0.000 2.163 381 Q HA 0.109 4.051 4.340 -0.664 0.000 0.198 381 Q C 1.827 177.761 176.000 -0.111 0.000 0.954 381 Q CA 0.955 56.765 55.803 0.012 0.000 0.851 381 Q CB -0.169 28.598 28.738 0.049 0.000 0.928 381 Q HN 0.676 nan 8.270 nan 0.000 0.459 382 L N 0.695 121.833 121.223 -0.143 0.000 2.478 382 L HA -0.064 3.878 4.340 -0.664 0.000 0.223 382 L C 2.211 178.967 176.870 -0.191 0.000 1.140 382 L CA 0.445 55.144 54.840 -0.235 0.000 0.842 382 L CB -0.365 41.602 42.059 -0.153 0.000 0.953 382 L HN 0.276 nan 8.230 nan 0.000 0.452 383 E N 0.763 120.898 120.200 -0.109 0.000 2.086 383 E HA -0.286 3.665 4.350 -0.664 0.000 0.205 383 E C 1.807 178.366 176.600 -0.069 0.000 1.027 383 E CA 2.494 58.854 56.400 -0.067 0.000 0.830 383 E CB 0.073 29.756 29.700 -0.030 0.000 0.751 383 E HN 0.521 nan 8.360 nan 0.000 0.456 384 T N 0.112 114.626 114.554 -0.068 0.000 2.978 384 T HA 0.037 3.988 4.350 -0.664 0.000 0.262 384 T C 0.887 175.553 174.700 -0.057 0.000 1.063 384 T CA 0.360 62.456 62.100 -0.007 0.000 1.140 384 T CB -0.011 68.933 68.868 0.127 0.000 0.886 384 T HN -0.046 nan 8.240 nan 0.000 0.470 385 V N 3.983 123.726 119.914 -0.285 0.000 2.555 385 V HA -0.018 3.704 4.120 -0.664 0.000 0.299 385 V C 0.537 176.561 176.094 -0.116 0.000 1.012 385 V CA -0.132 61.967 62.300 -0.335 0.000 1.180 385 V CB -0.343 31.136 31.823 -0.574 0.000 0.887 385 V HN 0.449 nan 8.190 nan 0.000 0.476 386 D N 4.531 124.919 120.400 -0.021 0.000 2.563 386 D HA 0.274 4.516 4.640 -0.664 0.000 0.222 386 D C -0.092 176.209 176.300 0.000 0.000 1.145 386 D CA 0.169 54.169 54.000 -0.000 0.000 1.001 386 D CB 0.336 41.154 40.800 0.030 0.000 1.049 386 D HN 0.505 nan 8.370 nan 0.000 0.515 387 S N 1.965 117.653 115.700 -0.020 0.000 2.706 387 S HA 0.508 4.580 4.470 -0.664 0.000 0.270 387 S C 1.027 175.619 174.600 -0.013 0.000 1.163 387 S CA -0.139 58.057 58.200 -0.007 0.000 1.042 387 S CB 0.585 63.784 63.200 -0.003 0.000 1.079 387 S HN 0.368 nan 8.310 nan 0.000 0.474 388 A N 6.746 129.564 122.820 -0.004 0.000 1.971 388 A HA -0.042 3.879 4.320 -0.664 0.000 0.222 388 A C -0.233 177.349 177.584 -0.003 0.000 1.182 388 A CA 2.170 54.205 52.037 -0.004 0.000 0.649 388 A CB -1.440 17.561 19.000 0.001 0.000 0.818 388 A HN 0.713 nan 8.150 nan 0.000 0.458 389 P HA -0.020 nan 4.420 nan 0.000 0.218 389 P C 1.600 178.902 177.300 0.002 0.000 1.152 389 P CA 1.150 64.256 63.100 0.009 0.000 0.826 389 P CB -0.292 31.420 31.700 0.020 0.000 0.790 390 V N 0.929 120.836 119.914 -0.012 0.000 2.392 390 V HA -0.234 3.488 4.120 -0.664 0.000 0.249 390 V C 2.757 178.824 176.094 -0.046 0.000 1.059 390 V CA 1.793 64.071 62.300 -0.037 0.000 1.051 390 V CB -1.173 30.602 31.823 -0.081 0.000 0.658 390 V HN 0.135 nan 8.190 nan 0.000 0.455 391 Q N -0.461 119.313 119.800 -0.042 0.000 2.230 391 Q HA -0.008 3.934 4.340 -0.664 0.000 0.202 391 Q C 2.403 178.390 176.000 -0.023 0.000 0.963 391 Q CA 1.542 57.321 55.803 -0.040 0.000 0.866 391 Q CB -0.510 28.207 28.738 -0.036 0.000 0.931 391 Q HN 0.666 nan 8.270 nan 0.000 0.452 392 A N 0.683 123.496 122.820 -0.011 0.000 1.930 392 A HA -0.095 3.827 4.320 -0.664 0.000 0.217 392 A C 2.167 179.756 177.584 0.008 0.000 1.175 392 A CA 0.869 52.906 52.037 0.000 0.000 0.627 392 A CB -0.549 18.456 19.000 0.008 0.000 0.815 392 A HN 0.295 nan 8.150 nan 0.000 0.443 393 L N -0.413 120.816 121.223 0.010 0.000 2.201 393 L HA -0.119 3.823 4.340 -0.664 0.000 0.212 393 L C 2.666 179.543 176.870 0.012 0.000 1.105 393 L CA 1.511 56.363 54.840 0.020 0.000 0.775 393 L CB -0.341 41.731 42.059 0.022 0.000 0.913 393 L HN 0.563 nan 8.230 nan 0.000 0.440 394 R N 0.009 120.505 120.500 -0.008 0.000 2.119 394 R HA -0.158 3.783 4.340 -0.664 0.000 0.222 394 R C 2.046 178.338 176.300 -0.013 0.000 1.088 394 R CA 1.255 57.346 56.100 -0.015 0.000 0.984 394 R CB -0.101 30.178 30.300 -0.036 0.000 0.884 394 R HN 0.168 nan 8.270 nan 0.000 0.447 395 E N 1.414 121.605 120.200 -0.014 0.000 2.046 395 E HA -0.157 3.795 4.350 -0.664 0.000 0.190 395 E C 1.824 178.417 176.600 -0.011 0.000 0.982 395 E CA 1.545 57.932 56.400 -0.021 0.000 0.800 395 E CB -0.013 29.677 29.700 -0.017 0.000 0.756 395 E HN 0.343 nan 8.360 nan 0.000 0.449 396 K N -0.321 120.088 120.400 0.014 0.000 2.211 396 K HA -0.088 3.833 4.320 -0.664 0.000 0.203 396 K C 2.199 178.845 176.600 0.077 0.000 1.050 396 K CA 1.201 57.514 56.287 0.043 0.000 0.945 396 K CB -0.176 32.356 32.500 0.052 0.000 0.732 396 K HN 0.242 nan 8.250 nan 0.000 0.451 397 M N 0.135 119.774 119.600 0.067 0.000 2.213 397 M HA -0.077 4.005 4.480 -0.664 0.000 0.263 397 M C 0.627 177.018 176.300 0.151 0.000 1.062 397 M CA 1.704 57.068 55.300 0.106 0.000 1.105 397 M CB -0.279 32.361 32.600 0.066 0.000 1.385 397 M HN 0.306 nan 8.290 nan 0.000 0.417 398 G N 0.195 109.008 108.800 0.021 0.000 2.796 398 G HA2 -0.321 3.241 3.960 -0.664 0.000 0.226 398 G HA3 -0.321 3.241 3.960 -0.664 0.000 0.226 398 G C -0.108 174.734 174.900 -0.097 0.000 1.381 398 G CA 0.189 45.188 45.100 -0.169 0.000 0.867 398 G HN 0.578 nan 8.290 nan 0.000 0.552 399 E N -1.847 118.193 120.200 -0.266 0.000 2.475 399 E HA 0.386 4.337 4.350 -0.664 0.000 0.205 399 E C 0.454 177.035 176.600 -0.031 0.000 0.822 399 E CA -0.025 56.324 56.400 -0.085 0.000 1.240 399 E CB 0.376 30.009 29.700 -0.112 0.000 1.222 399 E HN 0.884 nan 8.360 nan 0.000 0.581 400 F N 0.004 119.854 119.950 -0.166 0.000 2.905 400 F HA -0.281 3.847 4.527 -0.665 0.000 0.291 400 F C 0.891 176.447 175.800 -0.406 0.000 1.002 400 F CA 0.074 57.859 58.000 -0.358 0.000 0.978 400 F CB -1.467 37.174 39.000 -0.598 0.000 1.036 400 F HN 0.205 nan 8.300 nan 0.000 0.820 401 A N -0.060 122.672 122.820 -0.147 0.000 1.855 401 A HA -0.148 3.774 4.320 -0.664 0.000 0.215 401 A C 2.147 179.659 177.584 -0.119 0.000 1.191 401 A CA 1.642 53.612 52.037 -0.112 0.000 0.613 401 A CB -0.215 18.738 19.000 -0.079 0.000 0.829 401 A HN 0.496 nan 8.150 nan 0.000 0.442 402 E N 0.547 120.675 120.200 -0.120 0.000 2.065 402 E HA -0.242 3.710 4.350 -0.664 0.000 0.201 402 E C 2.036 178.563 176.600 -0.122 0.000 1.016 402 E CA 1.605 57.946 56.400 -0.098 0.000 0.818 402 E CB -0.739 28.901 29.700 -0.101 0.000 0.749 402 E HN 0.706 nan 8.360 nan 0.000 0.453 403 L N 0.320 121.401 121.223 -0.236 0.000 2.109 403 L HA -0.048 3.894 4.340 -0.664 0.000 0.207 403 L C 2.837 179.600 176.870 -0.178 0.000 1.086 403 L CA 0.818 55.498 54.840 -0.268 0.000 0.760 403 L CB -0.539 41.217 42.059 -0.504 0.000 0.910 403 L HN 0.051 nan 8.230 nan 0.000 0.437 404 R N 0.931 121.287 120.500 -0.239 0.000 2.081 404 R HA -0.224 3.718 4.340 -0.664 0.000 0.235 404 R C 1.748 178.073 176.300 0.042 0.000 1.131 404 R CA 2.339 58.446 56.100 0.012 0.000 0.960 404 R CB -0.301 30.011 30.300 0.019 0.000 0.856 404 R HN 0.373 nan 8.270 nan 0.000 0.436 405 D N 0.009 120.408 120.400 -0.000 0.000 2.183 405 D HA -0.149 4.093 4.640 -0.664 0.000 0.203 405 D C 2.048 178.371 176.300 0.039 0.000 0.969 405 D CA 0.616 54.629 54.000 0.023 0.000 0.842 405 D CB 0.028 40.836 40.800 0.013 0.000 0.957 405 D HN 0.197 nan 8.370 nan 0.000 0.484 406 L N 0.132 121.372 121.223 0.028 0.000 1.994 406 L HA -0.054 3.888 4.340 -0.664 0.000 0.208 406 L C 1.850 178.726 176.870 0.010 0.000 1.071 406 L CA 1.705 56.576 54.840 0.051 0.000 0.745 406 L CB -0.488 41.593 42.059 0.036 0.000 0.892 406 L HN 0.166 nan 8.230 nan 0.000 0.431 407 L N -1.015 120.217 121.223 0.015 0.000 2.341 407 L HA -0.025 3.917 4.340 -0.664 0.000 0.214 407 L C 2.394 179.262 176.870 -0.004 0.000 1.115 407 L CA 0.590 55.424 54.840 -0.010 0.000 0.820 407 L CB -0.563 41.533 42.059 0.062 0.000 0.944 407 L HN 0.316 nan 8.230 nan 0.000 0.452 408 E N 0.606 120.825 120.200 0.032 0.000 2.077 408 E HA -0.208 3.744 4.350 -0.664 0.000 0.193 408 E C 2.294 178.908 176.600 0.023 0.000 0.989 408 E CA 1.262 57.683 56.400 0.036 0.000 0.800 408 E CB 0.133 29.862 29.700 0.049 0.000 0.746 408 E HN 0.381 nan 8.360 nan 0.000 0.452 409 R N -0.683 119.835 120.500 0.029 0.000 2.127 409 R HA 0.102 4.043 4.340 -0.664 0.000 0.217 409 R C 1.904 178.174 176.300 -0.050 0.000 1.074 409 R CA 0.959 57.103 56.100 0.073 0.000 0.991 409 R CB 0.180 30.604 30.300 0.207 0.000 0.895 409 R HN 0.039 nan 8.270 nan 0.000 0.450 410 A N 0.559 123.196 122.820 -0.305 0.000 2.220 410 A HA 0.248 4.169 4.320 -0.664 0.000 0.211 410 A C 0.612 177.982 177.584 -0.355 0.000 1.176 410 A CA 0.223 51.791 52.037 -0.781 0.000 0.834 410 A CB 0.406 18.770 19.000 -1.060 0.000 0.868 410 A HN 0.032 nan 8.150 nan 0.000 0.488 411 I N 0.751 121.224 120.570 -0.161 0.000 2.828 411 I HA 0.379 4.151 4.170 -0.664 0.000 0.302 411 I C 0.035 176.132 176.117 -0.033 0.000 1.101 411 I CA -0.928 60.328 61.300 -0.073 0.000 1.031 411 I CB 1.683 39.661 38.000 -0.035 0.000 1.231 411 I HN 0.288 nan 8.210 nan 0.000 0.427 412 I N -0.252 120.306 120.570 -0.020 0.000 3.269 412 I HA 0.230 4.001 4.170 -0.664 0.000 0.287 412 I C 0.858 176.974 176.117 -0.002 0.000 1.152 412 I CA -0.023 61.273 61.300 -0.006 0.000 1.263 412 I CB 0.423 38.419 38.000 -0.007 0.000 1.439 412 I HN 0.454 nan 8.210 nan 0.000 0.637 413 D N 1.226 121.628 120.400 0.004 0.000 2.108 413 D HA -0.137 4.105 4.640 -0.664 0.000 0.190 413 D C 0.888 177.184 176.300 -0.007 0.000 0.995 413 D CA 2.543 56.547 54.000 0.007 0.000 0.834 413 D CB -0.356 40.449 40.800 0.008 0.000 0.967 413 D HN 0.864 nan 8.370 nan 0.000 0.446 414 T N -0.876 113.669 114.554 -0.015 0.000 3.064 414 T HA 0.488 4.439 4.350 -0.664 0.000 0.367 414 T C -2.701 171.983 174.700 -0.027 0.000 1.202 414 T CA -1.709 60.375 62.100 -0.027 0.000 1.133 414 T CB 2.015 70.864 68.868 -0.032 0.000 1.074 414 T HN -0.159 nan 8.240 nan 0.000 0.519 415 P HA 0.377 nan 4.420 nan 0.000 0.274 415 P C -2.472 174.803 177.300 -0.042 0.000 1.260 415 P CA -1.249 61.828 63.100 -0.039 0.000 0.793 415 P CB -0.165 31.505 31.700 -0.049 0.000 1.048 416 P HA 0.073 nan 4.420 nan 0.000 0.279 416 P C 1.034 178.302 177.300 -0.052 0.000 1.276 416 P CA -0.316 62.757 63.100 -0.045 0.000 0.801 416 P CB 0.590 32.262 31.700 -0.046 0.000 1.127 417 V N -0.715 119.175 119.914 -0.039 0.000 2.332 417 V HA -0.175 3.546 4.120 -0.664 0.000 0.248 417 V C 1.161 177.225 176.094 -0.051 0.000 1.055 417 V CA 1.874 64.154 62.300 -0.034 0.000 1.038 417 V CB -1.114 30.700 31.823 -0.015 0.000 0.651 417 V HN 0.345 nan 8.190 nan 0.000 0.450 418 L N -1.520 119.661 121.223 -0.069 0.000 2.341 418 L HA 0.454 4.396 4.340 -0.664 0.000 0.267 418 L C 0.945 177.714 176.870 -0.168 0.000 1.009 418 L CA -0.271 54.511 54.840 -0.097 0.000 0.819 418 L CB 1.250 43.275 42.059 -0.057 0.000 1.323 418 L HN -0.064 nan 8.230 nan 0.000 0.425 419 V N -1.385 118.370 119.914 -0.265 0.000 2.759 419 V HA -0.122 3.599 4.120 -0.664 0.000 0.256 419 V C 2.365 178.354 176.094 -0.175 0.000 1.080 419 V CA 1.208 63.309 62.300 -0.332 0.000 1.101 419 V CB -1.028 30.489 31.823 -0.511 0.000 0.698 419 V HN 0.902 nan 8.190 nan 0.000 0.477 420 R N 0.899 121.331 120.500 -0.113 0.000 2.190 420 R HA -0.241 3.700 4.340 -0.664 0.000 0.255 420 R C 1.402 177.667 176.300 -0.059 0.000 1.143 420 R CA 2.473 58.534 56.100 -0.065 0.000 0.965 420 R CB -0.310 29.967 30.300 -0.038 0.000 0.889 420 R HN 0.682 nan 8.270 nan 0.000 0.448 421 D N -1.090 119.272 120.400 -0.064 0.000 2.440 421 D HA 0.170 4.411 4.640 -0.664 0.000 0.216 421 D C 0.846 177.114 176.300 -0.054 0.000 1.150 421 D CA 0.712 54.683 54.000 -0.049 0.000 0.832 421 D CB 0.752 41.530 40.800 -0.036 0.000 0.992 421 D HN 0.454 nan 8.370 nan 0.000 0.502 422 G N 1.245 110.001 108.800 -0.074 0.000 2.601 422 G HA2 -0.142 3.420 3.960 -0.664 0.000 0.261 422 G HA3 -0.142 3.420 3.960 -0.664 0.000 0.261 422 G C 0.794 175.658 174.900 -0.060 0.000 1.289 422 G CA 0.184 45.243 45.100 -0.067 0.000 0.920 422 G HN 0.810 nan 8.290 nan 0.000 0.571 423 G N -2.667 106.110 108.800 -0.038 0.000 2.323 423 G HA2 0.108 3.669 3.960 -0.664 0.000 0.292 423 G HA3 0.108 3.669 3.960 -0.664 0.000 0.292 423 G C 1.431 176.305 174.900 -0.043 0.000 1.040 423 G CA 1.845 46.927 45.100 -0.029 0.000 0.942 423 G HN 2.521 nan 8.290 nan 0.000 0.506 424 V N -2.275 117.605 119.914 -0.056 0.000 3.137 424 V HA 0.476 4.198 4.120 -0.664 0.000 0.236 424 V C 1.167 177.235 176.094 -0.043 0.000 1.260 424 V CA 0.344 62.602 62.300 -0.070 0.000 1.244 424 V CB 0.155 31.890 31.823 -0.146 0.000 1.016 424 V HN 0.287 nan 8.190 nan 0.000 0.477 425 I N 3.258 123.813 120.570 -0.024 0.000 2.471 425 I HA 0.483 4.255 4.170 -0.664 0.000 0.286 425 I C 1.077 177.200 176.117 0.010 0.000 1.079 425 I CA 0.448 61.739 61.300 -0.016 0.000 1.398 425 I CB 0.225 38.249 38.000 0.041 0.000 1.403 425 I HN 0.427 nan 8.210 nan 0.000 0.530 426 A N 5.786 128.601 122.820 -0.008 0.000 2.448 426 A HA 0.284 4.205 4.320 -0.664 0.000 0.239 426 A C 0.724 178.354 177.584 0.076 0.000 1.080 426 A CA -0.327 51.726 52.037 0.027 0.000 0.779 426 A CB 0.010 19.021 19.000 0.017 0.000 1.026 426 A HN 0.843 nan 8.150 nan 0.000 0.499 427 S N 0.531 116.270 115.700 0.064 0.000 2.531 427 S HA 0.484 4.556 4.470 -0.664 0.000 0.279 427 S C 1.018 175.669 174.600 0.085 0.000 1.305 427 S CA 0.101 58.344 58.200 0.071 0.000 1.058 427 S CB 0.733 63.962 63.200 0.048 0.000 0.899 427 S HN 2.499 nan 8.310 nan 0.000 0.493 428 G N 1.549 110.405 108.800 0.093 0.000 2.179 428 G HA2 -0.298 3.264 3.960 -0.664 0.000 0.220 428 G HA3 -0.298 3.264 3.960 -0.664 0.000 0.220 428 G C 0.200 175.174 174.900 0.123 0.000 0.990 428 G CA 0.262 45.411 45.100 0.083 0.000 0.646 428 G HN 0.871 nan 8.290 nan 0.000 0.517 429 Y N 1.384 121.698 120.300 0.023 0.000 2.365 429 Y HA 0.299 4.451 4.550 -0.664 0.000 0.293 429 Y C 0.989 176.904 175.900 0.025 0.000 1.119 429 Y CA 1.339 59.453 58.100 0.025 0.000 1.203 429 Y CB 0.543 39.021 38.460 0.030 0.000 1.026 429 Y HN 0.356 nan 8.280 nan 0.000 0.549 430 N N 0.378 119.057 118.700 -0.035 0.000 2.599 430 N HA 0.006 4.348 4.740 -0.664 0.000 0.283 430 N C 0.354 175.852 175.510 -0.020 0.000 1.160 430 N CA 0.131 53.114 53.050 -0.111 0.000 0.869 430 N CB 1.086 39.519 38.487 -0.090 0.000 1.448 430 N HN 0.447 nan 8.380 nan 0.000 0.535 431 E N 2.597 122.771 120.200 -0.043 0.000 2.095 431 E HA -0.304 3.648 4.350 -0.664 0.000 0.212 431 E C 0.901 177.483 176.600 -0.031 0.000 1.044 431 E CA 1.808 58.186 56.400 -0.036 0.000 0.857 431 E CB 0.051 29.720 29.700 -0.052 0.000 0.764 431 E HN 0.728 nan 8.360 nan 0.000 0.462 432 E N -0.143 120.046 120.200 -0.018 0.000 2.065 432 E HA -0.258 3.693 4.350 -0.664 0.000 0.201 432 E C 2.282 178.936 176.600 0.089 0.000 1.016 432 E CA 1.558 57.957 56.400 -0.002 0.000 0.818 432 E CB -0.248 29.507 29.700 0.093 0.000 0.749 432 E HN 0.276 nan 8.360 nan 0.000 0.453 433 L N 1.834 123.154 121.223 0.162 0.000 1.971 433 L HA -0.237 3.705 4.340 -0.664 0.000 0.215 433 L C 1.706 178.670 176.870 0.157 0.000 1.072 433 L CA 2.227 57.197 54.840 0.218 0.000 0.758 433 L CB -0.669 41.491 42.059 0.168 0.000 0.889 433 L HN 0.067 nan 8.230 nan 0.000 0.433 434 D N -0.299 120.150 120.400 0.082 0.000 2.158 434 D HA -0.226 4.016 4.640 -0.664 0.000 0.197 434 D C 2.054 178.363 176.300 0.015 0.000 0.995 434 D CA 1.662 55.691 54.000 0.048 0.000 0.846 434 D CB -0.146 40.668 40.800 0.024 0.000 0.941 434 D HN 0.593 nan 8.370 nan 0.000 0.456 435 E N -0.279 119.887 120.200 -0.057 0.000 2.031 435 E HA -0.165 3.786 4.350 -0.664 0.000 0.193 435 E C 2.255 178.780 176.600 -0.124 0.000 0.994 435 E CA 0.820 57.118 56.400 -0.170 0.000 0.800 435 E CB -0.302 29.178 29.700 -0.365 0.000 0.752 435 E HN 0.457 nan 8.360 nan 0.000 0.447 436 W N 1.091 122.392 121.300 0.002 0.000 2.392 436 W HA -0.107 4.155 4.660 -0.664 0.000 0.279 436 W C 2.521 179.041 176.519 0.001 0.000 1.225 436 W CA 0.363 57.708 57.345 0.000 0.000 1.233 436 W CB 0.006 29.467 29.460 0.002 0.000 1.122 436 W HN -0.002 nan 8.180 nan 0.000 0.561 437 R N -0.044 120.578 120.500 0.204 0.000 2.057 437 R HA -0.049 3.892 4.340 -0.664 0.000 0.229 437 R C 2.441 178.792 176.300 0.085 0.000 1.136 437 R CA 1.327 57.502 56.100 0.124 0.000 0.952 437 R CB -1.100 29.254 30.300 0.091 0.000 0.848 437 R HN 0.113 nan 8.270 nan 0.000 0.430 438 A N 1.515 124.368 122.820 0.055 0.000 1.986 438 A HA -0.159 3.763 4.320 -0.664 0.000 0.220 438 A C 2.182 179.789 177.584 0.038 0.000 1.171 438 A CA 1.257 53.312 52.037 0.031 0.000 0.640 438 A CB -0.573 18.429 19.000 0.003 0.000 0.811 438 A HN 0.178 nan 8.150 nan 0.000 0.451 439 L N -1.149 120.106 121.223 0.054 0.000 2.005 439 L HA -0.184 3.757 4.340 -0.664 0.000 0.207 439 L C 3.176 180.096 176.870 0.082 0.000 1.072 439 L CA 1.170 56.051 54.840 0.067 0.000 0.744 439 L CB -0.731 41.397 42.059 0.114 0.000 0.895 439 L HN 0.445 nan 8.230 nan 0.000 0.433 440 A N -0.082 122.799 122.820 0.101 0.000 1.917 440 A HA -0.262 3.659 4.320 -0.664 0.000 0.219 440 A C 1.923 179.542 177.584 0.059 0.000 1.182 440 A CA 2.157 54.240 52.037 0.077 0.000 0.633 440 A CB -0.609 18.434 19.000 0.071 0.000 0.819 440 A HN 0.439 nan 8.150 nan 0.000 0.448 441 D N -0.582 119.852 120.400 0.055 0.000 2.144 441 D HA -0.086 4.156 4.640 -0.664 0.000 0.200 441 D C 1.985 178.315 176.300 0.050 0.000 0.978 441 D CA 1.454 55.480 54.000 0.044 0.000 0.833 441 D CB -0.556 40.267 40.800 0.037 0.000 0.961 441 D HN 0.484 nan 8.370 nan 0.000 0.470 442 G N 0.430 109.266 108.800 0.060 0.000 2.598 442 G HA2 0.017 3.579 3.960 -0.664 0.000 0.215 442 G HA3 0.017 3.579 3.960 -0.664 0.000 0.215 442 G C 1.525 176.500 174.900 0.125 0.000 1.131 442 G CA 0.752 45.900 45.100 0.080 0.000 0.785 442 G HN 0.339 nan 8.290 nan 0.000 0.539 443 A N -0.163 122.726 122.820 0.114 0.000 1.984 443 A HA 0.179 4.101 4.320 -0.664 0.000 0.214 443 A C 2.411 180.035 177.584 0.067 0.000 1.173 443 A CA 1.829 53.958 52.037 0.153 0.000 0.673 443 A CB -0.411 18.657 19.000 0.114 0.000 0.830 443 A HN 0.199 nan 8.150 nan 0.000 0.453 444 T N 0.627 115.202 114.554 0.034 0.000 2.708 444 T HA -0.126 3.826 4.350 -0.664 0.000 0.266 444 T C 1.452 176.155 174.700 0.004 0.000 1.037 444 T CA 1.807 63.911 62.100 0.007 0.000 1.146 444 T CB -0.389 68.494 68.868 0.026 0.000 0.865 444 T HN 0.436 nan 8.240 nan 0.000 0.435 445 D N -0.187 120.230 120.400 0.027 0.000 2.144 445 D HA -0.052 4.190 4.640 -0.664 0.000 0.199 445 D C 1.607 177.901 176.300 -0.010 0.000 0.984 445 D CA 0.783 54.789 54.000 0.011 0.000 0.834 445 D CB -0.378 40.437 40.800 0.026 0.000 0.955 445 D HN 0.444 nan 8.370 nan 0.000 0.465 446 Y N 1.145 121.380 120.300 -0.109 0.000 2.114 446 Y HA -0.149 4.003 4.550 -0.664 0.000 0.284 446 Y C 2.107 177.852 175.900 -0.258 0.000 1.143 446 Y CA 1.401 59.374 58.100 -0.212 0.000 1.135 446 Y CB -0.354 37.897 38.460 -0.348 0.000 0.980 446 Y HN -0.097 nan 8.280 nan 0.000 0.499 447 L N 0.073 121.252 121.223 -0.074 0.000 2.261 447 L HA -0.212 3.729 4.340 -0.664 0.000 0.216 447 L C 2.325 179.106 176.870 -0.149 0.000 1.114 447 L CA 1.411 56.158 54.840 -0.156 0.000 0.777 447 L CB -0.412 41.501 42.059 -0.244 0.000 0.910 447 L HN 0.358 nan 8.230 nan 0.000 0.440 448 E N -0.094 120.033 120.200 -0.122 0.000 2.033 448 E HA -0.165 3.787 4.350 -0.664 0.000 0.189 448 E C 2.284 178.803 176.600 -0.136 0.000 0.979 448 E CA 0.687 57.031 56.400 -0.094 0.000 0.802 448 E CB 0.121 29.785 29.700 -0.059 0.000 0.763 448 E HN 0.300 nan 8.360 nan 0.000 0.449 449 R N 0.369 120.750 120.500 -0.198 0.000 2.193 449 R HA -0.092 3.850 4.340 -0.664 0.000 0.229 449 R C 2.331 178.456 176.300 -0.292 0.000 1.110 449 R CA 0.522 56.479 56.100 -0.237 0.000 0.988 449 R CB -0.125 30.005 30.300 -0.284 0.000 0.871 449 R HN 0.189 nan 8.270 nan 0.000 0.458 450 L N 0.560 121.567 121.223 -0.359 0.000 2.109 450 L HA -0.102 3.840 4.340 -0.664 0.000 0.207 450 L C 2.242 179.026 176.870 -0.143 0.000 1.086 450 L CA 1.448 56.112 54.840 -0.293 0.000 0.760 450 L CB -0.153 41.732 42.059 -0.290 0.000 0.910 450 L HN 0.192 nan 8.230 nan 0.000 0.437 451 E N -0.746 119.386 120.200 -0.114 0.000 2.118 451 E HA -0.221 3.731 4.350 -0.664 0.000 0.195 451 E C 1.958 178.528 176.600 -0.051 0.000 0.992 451 E CA 1.600 57.966 56.400 -0.057 0.000 0.804 451 E CB 0.101 29.775 29.700 -0.043 0.000 0.741 451 E HN 0.412 nan 8.360 nan 0.000 0.458 452 V N 0.936 120.804 119.914 -0.076 0.000 3.235 452 V HA -0.093 3.629 4.120 -0.664 0.000 0.259 452 V C 2.349 178.401 176.094 -0.069 0.000 1.133 452 V CA 1.415 63.676 62.300 -0.065 0.000 1.128 452 V CB -0.279 31.502 31.823 -0.070 0.000 0.757 452 V HN 0.287 nan 8.190 nan 0.000 0.469 453 R N 0.287 120.731 120.500 -0.092 0.000 2.075 453 R HA -0.064 3.878 4.340 -0.664 0.000 0.226 453 R C 1.878 178.151 176.300 -0.045 0.000 1.114 453 R CA 1.473 57.524 56.100 -0.082 0.000 0.972 453 R CB -0.236 29.993 30.300 -0.119 0.000 0.869 453 R HN 0.351 nan 8.270 nan 0.000 0.437 454 E N 0.858 121.044 120.200 -0.024 0.000 2.158 454 E HA -0.081 3.871 4.350 -0.664 0.000 0.191 454 E C 2.031 178.632 176.600 0.001 0.000 0.982 454 E CA 0.705 57.117 56.400 0.019 0.000 0.823 454 E CB -0.145 29.612 29.700 0.094 0.000 0.766 454 E HN 0.391 nan 8.360 nan 0.000 0.468 455 R N 0.688 121.183 120.500 -0.008 0.000 2.096 455 R HA -0.102 3.839 4.340 -0.664 0.000 0.235 455 R C 2.249 178.533 176.300 -0.026 0.000 1.127 455 R CA 1.034 57.126 56.100 -0.013 0.000 0.968 455 R CB 0.107 30.399 30.300 -0.014 0.000 0.861 455 R HN 0.079 nan 8.270 nan 0.000 0.440 456 E N 0.176 120.357 120.200 -0.031 0.000 2.051 456 E HA -0.105 3.846 4.350 -0.664 0.000 0.189 456 E C 1.082 177.659 176.600 -0.038 0.000 0.979 456 E CA 0.672 57.051 56.400 -0.034 0.000 0.803 456 E CB 0.124 29.802 29.700 -0.036 0.000 0.761 456 E HN 0.087 nan 8.360 nan 0.000 0.451 457 R N 0.957 121.432 120.500 -0.041 0.000 3.192 457 R HA 0.009 3.950 4.340 -0.664 0.000 0.264 457 R C 0.462 176.719 176.300 -0.071 0.000 1.464 457 R CA 0.722 56.792 56.100 -0.049 0.000 1.309 457 R CB -0.217 30.057 30.300 -0.043 0.000 1.283 457 R HN 0.183 nan 8.270 nan 0.000 0.584 458 T N -6.934 107.578 114.554 -0.070 0.000 3.200 458 T HA 0.093 4.044 4.350 -0.664 0.000 0.259 458 T C 1.069 175.725 174.700 -0.073 0.000 0.855 458 T CA 0.425 62.469 62.100 -0.094 0.000 0.865 458 T CB 0.405 69.204 68.868 -0.114 0.000 1.270 458 T HN 0.153 nan 8.240 nan 0.000 0.563 459 G N 1.900 110.668 108.800 -0.052 0.000 2.179 459 G HA2 -0.206 3.356 3.960 -0.664 0.000 0.257 459 G HA3 -0.206 3.356 3.960 -0.664 0.000 0.257 459 G C -0.163 174.713 174.900 -0.041 0.000 1.010 459 G CA 0.476 45.551 45.100 -0.042 0.000 0.736 459 G HN 0.704 nan 8.290 nan 0.000 0.513 460 L N 1.189 122.386 121.223 -0.042 0.000 2.295 460 L HA 0.394 4.336 4.340 -0.664 0.000 0.281 460 L C 0.883 177.744 176.870 -0.016 0.000 1.018 460 L CA -0.452 54.366 54.840 -0.037 0.000 0.841 460 L CB 1.453 43.479 42.059 -0.055 0.000 1.218 460 L HN 0.257 nan 8.230 nan 0.000 0.424 461 D N -0.206 120.188 120.400 -0.010 0.000 2.328 461 D HA -0.071 4.171 4.640 -0.664 0.000 0.226 461 D C 1.012 177.318 176.300 0.010 0.000 1.066 461 D CA 0.277 54.277 54.000 -0.001 0.000 0.861 461 D CB 0.119 40.918 40.800 -0.002 0.000 0.912 461 D HN 0.508 nan 8.370 nan 0.000 0.521 462 T N -1.863 112.700 114.554 0.016 0.000 3.054 462 T HA 0.225 4.177 4.350 -0.664 0.000 0.255 462 T C 0.871 175.600 174.700 0.048 0.000 1.035 462 T CA -0.633 61.486 62.100 0.031 0.000 0.941 462 T CB 0.181 69.069 68.868 0.033 0.000 1.026 462 T HN 0.073 nan 8.240 nan 0.000 0.533 463 L N 2.657 123.906 121.223 0.044 0.000 2.461 463 L HA 0.386 4.327 4.340 -0.664 0.000 0.272 463 L C -0.279 176.626 176.870 0.058 0.000 1.197 463 L CA 0.171 55.049 54.840 0.064 0.000 0.836 463 L CB 0.301 42.395 42.059 0.058 0.000 1.105 463 L HN 0.397 nan 8.230 nan 0.000 0.477 464 K N 2.444 122.888 120.400 0.074 0.000 2.622 464 K HA 0.465 4.386 4.320 -0.664 0.000 0.273 464 K C -1.827 174.804 176.600 0.052 0.000 0.957 464 K CA -1.052 55.268 56.287 0.054 0.000 0.861 464 K CB 1.156 33.691 32.500 0.057 0.000 1.405 464 K HN 0.203 nan 8.250 nan 0.000 0.406 465 V N 1.046 120.966 119.914 0.010 0.000 2.644 465 V HA 0.770 4.492 4.120 -0.664 0.000 0.295 465 V C 0.468 176.487 176.094 -0.125 0.000 1.053 465 V CA 0.376 62.653 62.300 -0.039 0.000 0.987 465 V CB 1.485 33.307 31.823 -0.001 0.000 1.006 465 V HN 0.943 nan 8.190 nan 0.000 0.472 466 G N 1.936 110.441 108.800 -0.492 0.000 2.725 466 G HA2 0.725 4.287 3.960 -0.664 0.000 0.288 466 G HA3 0.725 4.287 3.960 -0.664 0.000 0.288 466 G C -1.993 172.405 174.900 -0.838 0.000 1.399 466 G CA -0.500 44.204 45.100 -0.660 0.000 0.859 466 G HN 0.496 nan 8.290 nan 0.000 0.479 467 F N 0.547 120.169 119.950 -0.546 0.000 2.599 467 F HA 0.766 4.894 4.527 -0.664 0.000 0.311 467 F C -0.844 174.952 175.800 -0.005 0.000 1.076 467 F CA -0.825 56.914 58.000 -0.435 0.000 0.937 467 F CB 2.620 41.225 39.000 -0.658 0.000 1.282 467 F HN 0.562 nan 8.300 nan 0.000 0.460 468 N N 2.391 120.512 118.700 -0.964 0.000 2.928 468 N HA 0.320 4.661 4.740 -0.664 0.000 0.247 468 N C -0.557 174.503 175.510 -0.751 0.000 1.141 468 N CA 0.257 53.020 53.050 -0.479 0.000 0.977 468 N CB 1.847 40.314 38.487 -0.034 0.000 1.663 468 N HN 0.761 nan 8.380 nan 0.000 0.509 469 A N 1.946 124.519 122.820 -0.411 0.000 1.897 469 A HA 0.002 3.924 4.320 -0.664 0.000 0.215 469 A C 1.891 179.328 177.584 -0.244 0.000 1.181 469 A CA 2.046 53.909 52.037 -0.290 0.000 0.620 469 A CB -0.706 18.211 19.000 -0.139 0.000 0.821 469 A HN 0.494 nan 8.150 nan 0.000 0.443 470 V N -0.341 119.434 119.914 -0.232 0.000 2.236 470 V HA -0.365 3.357 4.120 -0.664 0.000 0.255 470 V C 2.136 177.978 176.094 -0.421 0.000 1.068 470 V CA 2.719 64.829 62.300 -0.316 0.000 1.044 470 V CB -1.013 30.628 31.823 -0.303 0.000 0.653 470 V HN 0.802 nan 8.190 nan 0.000 0.448 471 H N -1.585 117.385 119.070 -0.167 0.000 2.893 471 H HA 0.462 4.620 4.556 -0.664 0.000 0.270 471 H C 1.239 176.537 175.328 -0.049 0.000 1.095 471 H CA 0.457 56.447 56.048 -0.096 0.000 1.186 471 H CB 0.881 30.576 29.762 -0.112 0.000 1.562 471 H HN 0.604 nan 8.280 nan 0.000 0.536 472 G N 0.600 109.326 108.800 -0.122 0.000 2.527 472 G HA2 -0.353 3.209 3.960 -0.664 0.000 0.268 472 G HA3 -0.353 3.209 3.960 -0.664 0.000 0.268 472 G C -0.401 174.453 174.900 -0.077 0.000 1.175 472 G CA -0.018 44.994 45.100 -0.146 0.000 0.962 472 G HN 0.299 nan 8.290 nan 0.000 0.560 473 Y N 0.925 121.383 120.300 0.262 0.000 2.300 473 Y HA 0.574 4.725 4.550 -0.664 0.000 0.328 473 Y C 0.680 176.674 175.900 0.157 0.000 1.270 473 Y CA 1.100 59.308 58.100 0.181 0.000 1.352 473 Y CB 1.261 39.829 38.460 0.179 0.000 1.286 473 Y HN 0.852 nan 8.280 nan 0.000 0.536 474 Y N -0.693 119.751 120.300 0.239 0.000 2.465 474 Y HA 0.553 4.705 4.550 -0.664 0.000 0.323 474 Y C -1.636 174.309 175.900 0.076 0.000 1.191 474 Y CA -1.882 56.272 58.100 0.090 0.000 1.082 474 Y CB -0.058 38.397 38.460 -0.008 0.000 1.334 474 Y HN 0.393 nan 8.280 nan 0.000 0.449 475 I N 3.431 124.102 120.570 0.168 0.000 2.764 475 I HA 0.369 4.141 4.170 -0.664 0.000 0.294 475 I C -0.212 176.083 176.117 0.297 0.000 1.045 475 I CA -0.423 60.949 61.300 0.119 0.000 1.340 475 I CB 1.518 39.454 38.000 -0.106 0.000 1.436 475 I HN 0.763 nan 8.210 nan 0.000 0.567 476 Q N 4.784 124.743 119.800 0.264 0.000 2.263 476 Q HA 0.448 4.390 4.340 -0.664 0.000 0.262 476 Q C -1.925 174.211 176.000 0.227 0.000 0.984 476 Q CA -0.689 55.283 55.803 0.282 0.000 0.813 476 Q CB 1.614 30.512 28.738 0.267 0.000 1.299 476 Q HN 0.416 nan 8.270 nan 0.000 0.428 477 I N 2.054 122.789 120.570 0.275 0.000 2.493 477 I HA 0.344 4.116 4.170 -0.664 0.000 0.298 477 I C 0.646 176.845 176.117 0.136 0.000 0.998 477 I CA -0.595 60.813 61.300 0.181 0.000 1.137 477 I CB 1.219 39.323 38.000 0.173 0.000 1.310 477 I HN 0.703 nan 8.210 nan 0.000 0.445 478 S N 4.610 120.359 115.700 0.083 0.000 2.569 478 S HA 0.024 4.095 4.470 -0.664 0.000 0.274 478 S C 1.480 176.121 174.600 0.068 0.000 1.353 478 S CA 0.184 58.422 58.200 0.063 0.000 1.023 478 S CB 0.605 63.830 63.200 0.043 0.000 0.876 478 S HN 0.742 nan 8.310 nan 0.000 0.540 479 R N 2.339 122.876 120.500 0.062 0.000 2.066 479 R HA 0.013 3.954 4.340 -0.664 0.000 0.232 479 R C 2.290 178.647 176.300 0.095 0.000 1.131 479 R CA 1.733 57.877 56.100 0.072 0.000 0.955 479 R CB -1.291 29.040 30.300 0.052 0.000 0.851 479 R HN 0.792 nan 8.270 nan 0.000 0.432 480 G N 0.182 109.030 108.800 0.080 0.000 2.450 480 G HA2 -0.260 3.301 3.960 -0.664 0.000 0.220 480 G HA3 -0.260 3.301 3.960 -0.664 0.000 0.220 480 G C 1.181 176.143 174.900 0.103 0.000 1.130 480 G CA 0.622 45.786 45.100 0.106 0.000 0.760 480 G HN 0.445 nan 8.290 nan 0.000 0.557 481 Q N 0.412 120.219 119.800 0.011 0.000 2.408 481 Q HA 0.025 3.967 4.340 -0.664 0.000 0.205 481 Q C 2.706 178.583 176.000 -0.206 0.000 0.919 481 Q CA 0.785 56.515 55.803 -0.122 0.000 0.932 481 Q CB 0.225 28.927 28.738 -0.060 0.000 1.058 481 Q HN 0.620 nan 8.270 nan 0.000 0.517 482 S N 1.016 116.697 115.700 -0.032 0.000 2.474 482 S HA -0.155 3.916 4.470 -0.664 0.000 0.235 482 S C 1.789 176.419 174.600 0.050 0.000 0.997 482 S CA 0.968 59.209 58.200 0.069 0.000 0.949 482 S CB -0.589 62.726 63.200 0.191 0.000 0.766 482 S HN 0.562 nan 8.310 nan 0.000 0.517 483 H N 0.818 119.924 119.070 0.060 0.000 2.547 483 H HA 0.210 4.368 4.556 -0.664 0.000 0.272 483 H C 1.106 176.435 175.328 0.002 0.000 0.989 483 H CA 0.443 56.516 56.048 0.041 0.000 1.214 483 H CB -0.397 29.383 29.762 0.029 0.000 1.389 483 H HN 0.440 nan 8.280 nan 0.000 0.577 484 L N 1.634 122.664 121.223 -0.322 0.000 2.728 484 L HA 0.340 4.281 4.340 -0.664 0.000 0.235 484 L C 0.887 177.619 176.870 -0.230 0.000 1.197 484 L CA -0.304 54.402 54.840 -0.222 0.000 0.992 484 L CB 0.209 42.107 42.059 -0.268 0.000 1.263 484 L HN 0.182 nan 8.230 nan 0.000 0.484 485 A N 1.341 124.030 122.820 -0.218 0.000 2.454 485 A HA 0.420 4.341 4.320 -0.664 0.000 0.260 485 A C -1.949 175.375 177.584 -0.433 0.000 1.106 485 A CA -1.052 50.745 52.037 -0.399 0.000 0.780 485 A CB -0.505 18.253 19.000 -0.403 0.000 1.044 485 A HN 0.029 nan 8.150 nan 0.000 0.498 486 P HA -0.002 nan 4.420 nan 0.000 0.266 486 P C 0.884 178.006 177.300 -0.298 0.000 1.193 486 P CA -0.062 62.735 63.100 -0.505 0.000 0.770 486 P CB 0.542 31.842 31.700 -0.666 0.000 0.836 487 I N 1.489 121.978 120.570 -0.136 0.000 2.567 487 I HA -0.229 3.543 4.170 -0.664 0.000 0.257 487 I C 2.050 178.184 176.117 0.028 0.000 1.184 487 I CA 1.098 62.379 61.300 -0.031 0.000 1.451 487 I CB -0.287 37.703 38.000 -0.016 0.000 1.089 487 I HN 0.471 nan 8.210 nan 0.000 0.441 488 N N 0.140 118.857 118.700 0.029 0.000 2.409 488 N HA -0.199 4.143 4.740 -0.664 0.000 0.179 488 N C 0.427 176.084 175.510 0.246 0.000 1.032 488 N CA 0.476 53.596 53.050 0.115 0.000 0.898 488 N CB -0.377 38.172 38.487 0.104 0.000 0.971 488 N HN 0.117 nan 8.380 nan 0.000 0.441 489 Y N 1.499 121.803 120.300 0.007 0.000 2.632 489 Y HA 0.117 4.269 4.550 -0.664 0.000 0.329 489 Y C 0.936 176.942 175.900 0.177 0.000 1.174 489 Y CA -0.587 57.541 58.100 0.047 0.000 1.469 489 Y CB 0.282 38.630 38.460 -0.185 0.000 1.242 489 Y HN -0.015 nan 8.280 nan 0.000 0.540 490 M N 4.637 124.421 119.600 0.307 0.000 2.180 490 M HA 0.344 4.426 4.480 -0.664 0.000 0.350 490 M C 0.156 176.579 176.300 0.205 0.000 1.125 490 M CA -0.644 54.789 55.300 0.223 0.000 1.031 490 M CB 1.181 33.860 32.600 0.130 0.000 1.623 490 M HN 0.533 nan 8.290 nan 0.000 0.451 491 R N 1.402 121.968 120.500 0.110 0.000 2.531 491 R HA 0.429 4.370 4.340 -0.664 0.000 0.273 491 R C 0.889 177.102 176.300 -0.144 0.000 1.070 491 R CA -0.259 55.745 56.100 -0.159 0.000 1.112 491 R CB 1.244 31.442 30.300 -0.171 0.000 1.049 491 R HN 0.503 nan 8.270 nan 0.000 0.508 492 R N 0.144 120.484 120.500 -0.266 0.000 2.773 492 R HA 0.109 4.051 4.340 -0.664 0.000 0.196 492 R C -0.469 175.668 176.300 -0.272 0.000 0.938 492 R CA 0.172 56.147 56.100 -0.209 0.000 1.265 492 R CB 0.610 30.760 30.300 -0.250 0.000 1.668 492 R HN 0.574 nan 8.270 nan 0.000 0.583 493 Q N 0.703 120.250 119.800 -0.422 0.000 2.263 493 Q HA 0.329 4.271 4.340 -0.664 0.000 0.262 493 Q C -1.517 174.315 176.000 -0.280 0.000 0.984 493 Q CA -0.107 55.500 55.803 -0.326 0.000 0.813 493 Q CB 2.293 30.754 28.738 -0.461 0.000 1.299 493 Q HN -0.126 nan 8.270 nan 0.000 0.428 494 T N 4.680 119.129 114.554 -0.176 0.000 2.728 494 T HA 0.390 4.342 4.350 -0.664 0.000 0.296 494 T C 0.195 174.832 174.700 -0.105 0.000 0.940 494 T CA -0.201 61.817 62.100 -0.136 0.000 1.013 494 T CB 0.165 68.979 68.868 -0.090 0.000 0.912 494 T HN 0.423 nan 8.240 nan 0.000 0.484 495 L N 2.524 123.685 121.223 -0.103 0.000 2.569 495 L HA 0.441 4.383 4.340 -0.664 0.000 0.247 495 L C 1.998 178.843 176.870 -0.041 0.000 1.135 495 L CA -0.791 54.006 54.840 -0.072 0.000 0.812 495 L CB 0.396 42.409 42.059 -0.076 0.000 1.431 495 L HN 0.473 nan 8.230 nan 0.000 0.499 496 K N 0.573 120.956 120.400 -0.027 0.000 2.001 496 K HA -0.116 3.805 4.320 -0.664 0.000 0.208 496 K C 1.154 177.752 176.600 -0.004 0.000 1.048 496 K CA 1.911 58.190 56.287 -0.013 0.000 0.932 496 K CB -0.001 32.493 32.500 -0.009 0.000 0.715 496 K HN 0.457 nan 8.250 nan 0.000 0.437 497 N N -0.882 117.818 118.700 0.000 0.000 2.170 497 N HA 0.362 4.704 4.740 -0.664 0.000 0.222 497 N C -1.489 174.033 175.510 0.021 0.000 1.218 497 N CA 0.343 53.401 53.050 0.013 0.000 0.889 497 N CB 1.656 40.152 38.487 0.015 0.000 1.083 497 N HN 0.338 nan 8.380 nan 0.000 0.520 498 A N -0.589 122.237 122.820 0.011 0.000 2.583 498 A HA 0.758 4.679 4.320 -0.664 0.000 0.289 498 A C -1.397 176.183 177.584 -0.007 0.000 1.151 498 A CA -0.604 51.448 52.037 0.025 0.000 0.695 498 A CB 1.553 20.573 19.000 0.034 0.000 1.290 498 A HN -0.028 nan 8.150 nan 0.000 0.419 499 E N 0.593 120.802 120.200 0.015 0.000 2.340 499 E HA 0.491 4.442 4.350 -0.664 0.000 0.273 499 E C -1.203 175.304 176.600 -0.154 0.000 0.891 499 E CA -0.779 55.553 56.400 -0.112 0.000 0.757 499 E CB 2.260 31.905 29.700 -0.092 0.000 1.231 499 E HN 0.589 nan 8.360 nan 0.000 0.439 500 R N 1.874 122.115 120.500 -0.433 0.000 2.637 500 R HA 0.588 4.530 4.340 -0.664 0.000 0.291 500 R C -0.819 175.136 176.300 -0.575 0.000 0.963 500 R CA -0.744 55.154 56.100 -0.338 0.000 0.901 500 R CB 1.181 31.198 30.300 -0.472 0.000 1.160 500 R HN 0.481 nan 8.270 nan 0.000 0.457 501 Y N 1.303 121.551 120.300 -0.087 0.000 2.634 501 Y HA 0.620 4.772 4.550 -0.664 0.000 0.340 501 Y C 0.440 176.268 175.900 -0.120 0.000 1.058 501 Y CA -1.304 56.724 58.100 -0.120 0.000 1.081 501 Y CB 1.673 40.017 38.460 -0.193 0.000 1.295 501 Y HN 0.524 nan 8.280 nan 0.000 0.487 502 I N 0.896 121.504 120.570 0.063 0.000 2.969 502 I HA 0.854 4.625 4.170 -0.664 0.000 0.307 502 I C -1.314 174.814 176.117 0.018 0.000 1.149 502 I CA -1.263 60.062 61.300 0.042 0.000 1.008 502 I CB 2.829 40.885 38.000 0.093 0.000 1.232 502 I HN 0.659 nan 8.210 nan 0.000 0.435 503 I N 0.349 120.934 120.570 0.024 0.000 2.865 503 I HA 0.584 4.355 4.170 -0.664 0.000 0.302 503 I C -2.433 173.732 176.117 0.082 0.000 1.140 503 I CA -2.207 59.126 61.300 0.056 0.000 1.021 503 I CB 1.930 39.959 38.000 0.049 0.000 1.233 503 I HN 0.275 nan 8.210 nan 0.000 0.427 504 P HA -0.234 nan 4.420 nan 0.000 0.218 504 P C 1.340 178.701 177.300 0.102 0.000 1.154 504 P CA 1.663 64.813 63.100 0.083 0.000 0.872 504 P CB 0.250 31.995 31.700 0.075 0.000 0.790 505 E N -0.906 119.368 120.200 0.124 0.000 2.023 505 E HA -0.212 3.740 4.350 -0.664 0.000 0.196 505 E C 1.955 178.684 176.600 0.215 0.000 1.003 505 E CA 0.980 57.491 56.400 0.184 0.000 0.809 505 E CB -0.658 29.147 29.700 0.174 0.000 0.755 505 E HN -0.000 nan 8.360 nan 0.000 0.449 506 L N 1.222 122.529 121.223 0.139 0.000 2.012 506 L HA -0.228 3.713 4.340 -0.664 0.000 0.210 506 L C 2.240 179.199 176.870 0.148 0.000 1.073 506 L CA 1.765 56.674 54.840 0.116 0.000 0.748 506 L CB -0.217 41.889 42.059 0.078 0.000 0.891 506 L HN 0.009 nan 8.230 nan 0.000 0.431 507 K N -0.310 120.175 120.400 0.143 0.000 2.148 507 K HA -0.215 3.706 4.320 -0.664 0.000 0.204 507 K C 1.952 178.618 176.600 0.110 0.000 1.050 507 K CA 1.541 57.913 56.287 0.143 0.000 0.942 507 K CB -0.295 32.273 32.500 0.114 0.000 0.724 507 K HN 0.632 nan 8.250 nan 0.000 0.446 508 E N -0.279 119.975 120.200 0.091 0.000 2.150 508 E HA -0.182 3.769 4.350 -0.664 0.000 0.193 508 E C 1.217 177.752 176.600 -0.108 0.000 0.985 508 E CA 1.065 57.460 56.400 -0.008 0.000 0.814 508 E CB -0.073 29.611 29.700 -0.027 0.000 0.752 508 E HN 0.316 nan 8.360 nan 0.000 0.466 509 Y N 0.959 121.208 120.300 -0.085 0.000 2.490 509 Y HA 0.071 4.222 4.550 -0.664 0.000 0.285 509 Y C 2.273 178.110 175.900 -0.104 0.000 1.117 509 Y CA 0.941 58.958 58.100 -0.139 0.000 1.262 509 Y CB 0.130 38.465 38.460 -0.209 0.000 1.043 509 Y HN 0.169 nan 8.280 nan 0.000 0.553 510 E N 0.663 120.925 120.200 0.104 0.000 2.023 510 E HA -0.274 3.677 4.350 -0.664 0.000 0.196 510 E C 1.516 178.211 176.600 0.158 0.000 1.003 510 E CA 1.651 58.192 56.400 0.234 0.000 0.809 510 E CB -0.151 29.793 29.700 0.408 0.000 0.755 510 E HN 0.315 nan 8.360 nan 0.000 0.449 511 D N 0.557 121.013 120.400 0.094 0.000 2.191 511 D HA -0.214 4.028 4.640 -0.664 0.000 0.190 511 D C 1.932 178.236 176.300 0.007 0.000 1.007 511 D CA 1.494 55.517 54.000 0.038 0.000 0.865 511 D CB -0.078 40.718 40.800 -0.007 0.000 0.929 511 D HN 0.193 nan 8.370 nan 0.000 0.447 512 K N -0.126 120.252 120.400 -0.037 0.000 2.057 512 K HA -0.084 3.838 4.320 -0.664 0.000 0.206 512 K C 2.209 178.820 176.600 0.020 0.000 1.050 512 K CA 0.540 56.800 56.287 -0.046 0.000 0.935 512 K CB -0.015 32.401 32.500 -0.139 0.000 0.715 512 K HN -0.018 nan 8.250 nan 0.000 0.439 513 V N 1.264 121.205 119.914 0.045 0.000 2.223 513 V HA -0.258 3.464 4.120 -0.664 0.000 0.244 513 V C 2.136 178.254 176.094 0.041 0.000 1.045 513 V CA 1.536 63.871 62.300 0.058 0.000 1.000 513 V CB -0.422 31.468 31.823 0.111 0.000 0.635 513 V HN 0.196 nan 8.190 nan 0.000 0.445 514 L N 0.547 121.806 121.223 0.060 0.000 2.021 514 L HA -0.240 3.701 4.340 -0.664 0.000 0.215 514 L C 2.701 179.569 176.870 -0.004 0.000 1.074 514 L CA 2.805 57.666 54.840 0.035 0.000 0.760 514 L CB -1.624 40.483 42.059 0.080 0.000 0.889 514 L HN 0.612 nan 8.230 nan 0.000 0.433 515 T N -2.981 111.571 114.554 -0.004 0.000 2.555 515 T HA -0.227 3.724 4.350 -0.664 0.000 0.264 515 T C 2.015 176.662 174.700 -0.088 0.000 1.083 515 T CA 1.724 63.797 62.100 -0.045 0.000 1.179 515 T CB -0.933 67.928 68.868 -0.013 0.000 0.863 515 T HN 0.251 nan 8.240 nan 0.000 0.412 516 S N 1.340 117.042 115.700 0.002 0.000 2.378 516 S HA -0.155 3.917 4.470 -0.664 0.000 0.221 516 S C 2.051 176.641 174.600 -0.017 0.000 1.037 516 S CA 1.497 59.736 58.200 0.064 0.000 1.069 516 S CB -0.521 62.785 63.200 0.176 0.000 1.006 516 S HN 0.489 nan 8.310 nan 0.000 0.423 517 K N 0.281 120.682 120.400 0.001 0.000 2.207 517 K HA -0.197 3.725 4.320 -0.664 0.000 0.208 517 K C 2.042 178.606 176.600 -0.059 0.000 1.046 517 K CA 1.436 57.710 56.287 -0.021 0.000 0.929 517 K CB -0.519 31.962 32.500 -0.032 0.000 0.720 517 K HN 0.466 nan 8.250 nan 0.000 0.463 518 G N 0.488 109.234 108.800 -0.090 0.000 2.411 518 G HA2 -0.170 3.392 3.960 -0.664 0.000 0.213 518 G HA3 -0.170 3.392 3.960 -0.664 0.000 0.213 518 G C 1.186 175.980 174.900 -0.178 0.000 1.166 518 G CA 0.339 45.373 45.100 -0.110 0.000 0.802 518 G HN 0.230 nan 8.290 nan 0.000 0.533 519 K N 0.746 120.963 120.400 -0.306 0.000 2.097 519 K HA 0.080 4.002 4.320 -0.664 0.000 0.206 519 K C 2.691 179.050 176.600 -0.402 0.000 1.049 519 K CA 1.098 57.082 56.287 -0.506 0.000 0.933 519 K CB -0.123 31.721 32.500 -1.093 0.000 0.717 519 K HN 0.265 nan 8.250 nan 0.000 0.442 520 A N 0.830 123.499 122.820 -0.251 0.000 2.072 520 A HA -0.020 3.902 4.320 -0.664 0.000 0.216 520 A C 1.978 179.541 177.584 -0.035 0.000 1.156 520 A CA 0.519 52.517 52.037 -0.064 0.000 0.701 520 A CB -0.216 18.823 19.000 0.066 0.000 0.816 520 A HN 0.206 nan 8.150 nan 0.000 0.458 521 L N -0.188 120.998 121.223 -0.063 0.000 2.072 521 L HA 0.068 4.010 4.340 -0.664 0.000 0.205 521 L C 2.502 179.345 176.870 -0.046 0.000 1.079 521 L CA 2.115 56.926 54.840 -0.048 0.000 0.752 521 L CB -0.765 41.263 42.059 -0.052 0.000 0.906 521 L HN 0.280 nan 8.230 nan 0.000 0.436 522 A N -0.903 121.875 122.820 -0.071 0.000 2.019 522 A HA -0.146 3.775 4.320 -0.664 0.000 0.219 522 A C 2.198 179.766 177.584 -0.027 0.000 1.164 522 A CA 1.798 53.801 52.037 -0.057 0.000 0.644 522 A CB -0.737 18.210 19.000 -0.088 0.000 0.805 522 A HN 0.464 nan 8.150 nan 0.000 0.449 523 L N -0.330 120.880 121.223 -0.022 0.000 2.068 523 L HA -0.062 3.880 4.340 -0.664 0.000 0.204 523 L C 2.370 179.277 176.870 0.061 0.000 1.076 523 L CA 1.725 56.585 54.840 0.033 0.000 0.753 523 L CB -0.452 41.651 42.059 0.072 0.000 0.910 523 L HN 0.435 nan 8.230 nan 0.000 0.439 524 E N -0.390 119.838 120.200 0.047 0.000 2.097 524 E HA -0.304 3.648 4.350 -0.664 0.000 0.196 524 E C 2.113 178.751 176.600 0.064 0.000 1.000 524 E CA 1.596 58.028 56.400 0.053 0.000 0.804 524 E CB -0.114 29.590 29.700 0.007 0.000 0.740 524 E HN 0.483 nan 8.360 nan 0.000 0.454 525 K N 0.317 120.739 120.400 0.036 0.000 2.057 525 K HA -0.134 3.787 4.320 -0.664 0.000 0.206 525 K C 2.310 178.964 176.600 0.091 0.000 1.050 525 K CA 0.961 57.282 56.287 0.057 0.000 0.935 525 K CB 0.011 32.524 32.500 0.021 0.000 0.715 525 K HN 0.000 nan 8.250 nan 0.000 0.439 526 Q N 0.844 120.684 119.800 0.066 0.000 2.084 526 Q HA -0.086 3.855 4.340 -0.664 0.000 0.202 526 Q C 2.274 178.321 176.000 0.078 0.000 0.978 526 Q CA 1.300 57.141 55.803 0.064 0.000 0.844 526 Q CB -0.330 28.439 28.738 0.051 0.000 0.898 526 Q HN 0.325 nan 8.270 nan 0.000 0.426 527 L N -0.593 120.695 121.223 0.108 0.000 2.046 527 L HA -0.216 3.725 4.340 -0.664 0.000 0.208 527 L C 2.387 179.319 176.870 0.103 0.000 1.077 527 L CA 1.391 56.324 54.840 0.154 0.000 0.747 527 L CB -0.511 41.680 42.059 0.220 0.000 0.896 527 L HN 0.182 nan 8.230 nan 0.000 0.432 528 Y N 0.454 120.717 120.300 -0.062 0.000 2.263 528 Y HA -0.174 3.977 4.550 -0.664 0.000 0.292 528 Y C 2.564 178.292 175.900 -0.288 0.000 1.130 528 Y CA 1.278 59.267 58.100 -0.184 0.000 1.179 528 Y CB 0.080 38.422 38.460 -0.196 0.000 0.998 528 Y HN 0.087 nan 8.280 nan 0.000 0.532 529 E N 0.538 120.646 120.200 -0.153 0.000 2.153 529 E HA -0.242 3.710 4.350 -0.664 0.000 0.194 529 E C 1.970 178.512 176.600 -0.097 0.000 0.988 529 E CA 1.370 57.677 56.400 -0.156 0.000 0.811 529 E CB -0.189 29.530 29.700 0.032 0.000 0.746 529 E HN 0.722 nan 8.360 nan 0.000 0.466 530 E N 0.387 120.556 120.200 -0.052 0.000 2.208 530 E HA -0.086 3.866 4.350 -0.664 0.000 0.193 530 E C 2.098 178.693 176.600 -0.007 0.000 0.988 530 E CA 0.209 56.616 56.400 0.012 0.000 0.828 530 E CB 0.024 29.760 29.700 0.061 0.000 0.763 530 E HN 0.176 nan 8.360 nan 0.000 0.478 531 L N 0.081 121.224 121.223 -0.134 0.000 2.131 531 L HA -0.142 3.799 4.340 -0.664 0.000 0.210 531 L C 2.067 178.912 176.870 -0.041 0.000 1.092 531 L CA 0.580 55.332 54.840 -0.148 0.000 0.759 531 L CB -0.321 41.535 42.059 -0.339 0.000 0.903 531 L HN 0.211 nan 8.230 nan 0.000 0.435 532 F N 0.588 120.432 119.950 -0.177 0.000 2.146 532 F HA -0.178 3.950 4.527 -0.664 0.000 0.298 532 F C 2.351 178.124 175.800 -0.045 0.000 1.096 532 F CA 0.872 58.798 58.000 -0.123 0.000 1.275 532 F CB -0.808 38.112 39.000 -0.133 0.000 1.008 532 F HN 0.163 nan 8.300 nan 0.000 0.480 533 D N -0.030 120.471 120.400 0.169 0.000 2.218 533 D HA -0.129 4.112 4.640 -0.664 0.000 0.204 533 D C 2.375 178.736 176.300 0.101 0.000 0.976 533 D CA 0.963 55.027 54.000 0.106 0.000 0.853 533 D CB -0.357 40.491 40.800 0.080 0.000 0.939 533 D HN 0.276 nan 8.370 nan 0.000 0.481 534 L N -0.405 120.888 121.223 0.116 0.000 2.307 534 L HA -0.008 3.934 4.340 -0.664 0.000 0.211 534 L C 1.935 178.931 176.870 0.210 0.000 1.099 534 L CA 0.107 55.032 54.840 0.142 0.000 0.816 534 L CB 0.141 42.271 42.059 0.119 0.000 0.952 534 L HN -0.021 nan 8.230 nan 0.000 0.455 535 L N -0.835 120.494 121.223 0.178 0.000 2.209 535 L HA -0.031 3.911 4.340 -0.664 0.000 0.207 535 L C 2.126 179.117 176.870 0.200 0.000 1.094 535 L CA 1.444 56.399 54.840 0.191 0.000 0.790 535 L CB -0.351 41.799 42.059 0.153 0.000 0.932 535 L HN 0.126 nan 8.230 nan 0.000 0.447 536 L N -0.227 121.068 121.223 0.119 0.000 2.093 536 L HA -0.118 3.824 4.340 -0.664 0.000 0.208 536 L C -0.348 176.537 176.870 0.025 0.000 1.085 536 L CA 0.893 55.761 54.840 0.047 0.000 0.755 536 L CB -1.345 40.715 42.059 0.001 0.000 0.904 536 L HN 0.240 nan 8.230 nan 0.000 0.435 537 P HA -0.149 nan 4.420 nan 0.000 0.222 537 P C 0.749 177.902 177.300 -0.245 0.000 1.147 537 P CA 1.334 64.332 63.100 -0.171 0.000 0.790 537 P CB -0.090 31.439 31.700 -0.284 0.000 0.780 538 H N -1.866 117.239 119.070 0.058 0.000 2.505 538 H HA 0.177 4.334 4.556 -0.664 0.000 0.289 538 H C 1.600 176.960 175.328 0.054 0.000 1.052 538 H CA -0.380 55.724 56.048 0.092 0.000 1.156 538 H CB 0.057 29.894 29.762 0.124 0.000 1.507 538 H HN 0.064 nan 8.280 nan 0.000 0.548 539 L N 1.916 123.203 121.223 0.107 0.000 2.012 539 L HA -0.189 3.753 4.340 -0.664 0.000 0.210 539 L C 2.473 179.393 176.870 0.083 0.000 1.073 539 L CA 1.951 56.830 54.840 0.064 0.000 0.748 539 L CB -0.508 41.573 42.059 0.036 0.000 0.891 539 L HN 0.225 nan 8.230 nan 0.000 0.431 540 E N -0.461 119.797 120.200 0.097 0.000 2.035 540 E HA -0.298 3.654 4.350 -0.664 0.000 0.204 540 E C 2.092 178.780 176.600 0.147 0.000 1.025 540 E CA 1.885 58.350 56.400 0.109 0.000 0.835 540 E CB -0.415 29.343 29.700 0.097 0.000 0.764 540 E HN 0.574 nan 8.360 nan 0.000 0.457 541 A N 0.576 123.524 122.820 0.215 0.000 1.940 541 A HA -0.167 3.755 4.320 -0.664 0.000 0.219 541 A C 2.281 180.101 177.584 0.393 0.000 1.176 541 A CA 1.524 53.770 52.037 0.348 0.000 0.631 541 A CB -0.708 18.600 19.000 0.512 0.000 0.814 541 A HN 0.376 nan 8.150 nan 0.000 0.446 542 L N -1.040 120.268 121.223 0.142 0.000 2.056 542 L HA -0.232 3.709 4.340 -0.664 0.000 0.207 542 L C 2.903 179.791 176.870 0.029 0.000 1.078 542 L CA 1.426 56.208 54.840 -0.097 0.000 0.749 542 L CB -0.631 41.307 42.059 -0.201 0.000 0.901 542 L HN 0.483 nan 8.230 nan 0.000 0.433 543 Q N -0.302 119.534 119.800 0.061 0.000 2.061 543 Q HA -0.303 3.639 4.340 -0.664 0.000 0.204 543 Q C 2.258 178.310 176.000 0.087 0.000 0.984 543 Q CA 1.708 57.551 55.803 0.067 0.000 0.846 543 Q CB -0.189 28.597 28.738 0.081 0.000 0.902 543 Q HN 0.533 nan 8.270 nan 0.000 0.421 544 Q N -0.159 119.711 119.800 0.118 0.000 2.135 544 Q HA -0.180 3.762 4.340 -0.664 0.000 0.204 544 Q C 2.248 178.331 176.000 0.139 0.000 0.981 544 Q CA 1.533 57.411 55.803 0.126 0.000 0.856 544 Q CB -0.089 28.733 28.738 0.140 0.000 0.902 544 Q HN 0.206 nan 8.270 nan 0.000 0.425 545 S N -0.421 115.392 115.700 0.189 0.000 2.348 545 S HA -0.173 3.898 4.470 -0.664 0.000 0.221 545 S C 1.956 176.624 174.600 0.114 0.000 1.033 545 S CA 1.154 59.476 58.200 0.204 0.000 1.010 545 S CB -0.309 63.084 63.200 0.321 0.000 0.891 545 S HN 0.502 nan 8.310 nan 0.000 0.442 546 A N 0.439 123.302 122.820 0.072 0.000 1.940 546 A HA -0.092 3.829 4.320 -0.664 0.000 0.219 546 A C 2.426 180.031 177.584 0.036 0.000 1.176 546 A CA 2.309 54.365 52.037 0.033 0.000 0.631 546 A CB -1.254 17.752 19.000 0.009 0.000 0.814 546 A HN 0.627 nan 8.150 nan 0.000 0.446 547 S N -0.820 114.912 115.700 0.054 0.000 2.395 547 S HA 0.125 4.197 4.470 -0.664 0.000 0.225 547 S C 2.106 176.743 174.600 0.061 0.000 1.027 547 S CA 1.274 59.507 58.200 0.056 0.000 0.965 547 S CB -0.394 62.849 63.200 0.071 0.000 0.812 547 S HN 0.780 nan 8.310 nan 0.000 0.482 548 A N 1.433 124.295 122.820 0.070 0.000 1.897 548 A HA 0.191 4.113 4.320 -0.664 0.000 0.215 548 A C 2.172 179.784 177.584 0.047 0.000 1.181 548 A CA 1.047 53.124 52.037 0.067 0.000 0.620 548 A CB -0.733 18.311 19.000 0.074 0.000 0.821 548 A HN 0.556 nan 8.150 nan 0.000 0.443 549 L N -0.725 120.524 121.223 0.044 0.000 2.083 549 L HA -0.189 3.753 4.340 -0.664 0.000 0.209 549 L C 3.053 179.920 176.870 -0.004 0.000 1.083 549 L CA 0.989 55.843 54.840 0.023 0.000 0.752 549 L CB -0.435 41.640 42.059 0.026 0.000 0.899 549 L HN 0.449 nan 8.230 nan 0.000 0.433 550 A N -0.543 122.272 122.820 -0.009 0.000 1.898 550 A HA -0.230 3.692 4.320 -0.664 0.000 0.216 550 A C 2.259 179.792 177.584 -0.085 0.000 1.181 550 A CA 1.615 53.624 52.037 -0.046 0.000 0.620 550 A CB -0.395 18.582 19.000 -0.038 0.000 0.819 550 A HN 0.423 nan 8.150 nan 0.000 0.442 551 E N -0.891 119.288 120.200 -0.036 0.000 2.152 551 E HA -0.123 3.829 4.350 -0.664 0.000 0.192 551 E C 1.772 178.356 176.600 -0.027 0.000 0.983 551 E CA 0.653 57.035 56.400 -0.030 0.000 0.818 551 E CB -0.070 29.703 29.700 0.121 0.000 0.758 551 E HN 0.397 nan 8.360 nan 0.000 0.467 552 L N 1.452 122.670 121.223 -0.008 0.000 2.141 552 L HA -0.142 3.800 4.340 -0.664 0.000 0.209 552 L C 1.842 178.693 176.870 -0.030 0.000 1.094 552 L CA 1.760 56.596 54.840 -0.006 0.000 0.763 552 L CB -0.475 41.583 42.059 -0.001 0.000 0.908 552 L HN 0.123 nan 8.230 nan 0.000 0.437 553 D N -1.250 119.118 120.400 -0.053 0.000 2.097 553 D HA -0.142 4.099 4.640 -0.664 0.000 0.197 553 D C 2.201 178.446 176.300 -0.092 0.000 0.984 553 D CA 1.374 55.336 54.000 -0.064 0.000 0.826 553 D CB 0.080 40.838 40.800 -0.071 0.000 0.973 553 D HN 0.137 nan 8.370 nan 0.000 0.460 554 V N 0.587 120.405 119.914 -0.160 0.000 2.287 554 V HA -0.221 3.500 4.120 -0.664 0.000 0.248 554 V C 2.746 178.765 176.094 -0.126 0.000 1.053 554 V CA 1.365 63.523 62.300 -0.237 0.000 1.027 554 V CB -0.460 31.028 31.823 -0.558 0.000 0.646 554 V HN 0.260 nan 8.190 nan 0.000 0.447 555 L N -0.863 120.323 121.223 -0.062 0.000 2.072 555 L HA -0.087 3.855 4.340 -0.664 0.000 0.205 555 L C 2.446 179.313 176.870 -0.005 0.000 1.079 555 L CA 0.808 55.662 54.840 0.023 0.000 0.752 555 L CB -0.470 41.635 42.059 0.078 0.000 0.906 555 L HN 0.153 nan 8.230 nan 0.000 0.436 556 V N 0.714 120.619 119.914 -0.015 0.000 2.392 556 V HA -0.324 3.397 4.120 -0.664 0.000 0.249 556 V C 2.255 178.337 176.094 -0.021 0.000 1.059 556 V CA 2.277 64.569 62.300 -0.012 0.000 1.051 556 V CB -0.750 31.069 31.823 -0.007 0.000 0.658 556 V HN 0.611 nan 8.190 nan 0.000 0.455 557 N N 0.223 118.905 118.700 -0.031 0.000 2.080 557 N HA -0.133 4.209 4.740 -0.664 0.000 0.189 557 N C 1.766 177.260 175.510 -0.026 0.000 1.036 557 N CA 1.583 54.615 53.050 -0.031 0.000 0.846 557 N CB -0.356 38.106 38.487 -0.043 0.000 1.015 557 N HN 0.408 nan 8.380 nan 0.000 0.423 558 L N -0.186 121.026 121.223 -0.018 0.000 2.127 558 L HA -0.119 3.823 4.340 -0.664 0.000 0.211 558 L C 2.414 179.247 176.870 -0.062 0.000 1.089 558 L CA 1.173 56.012 54.840 -0.002 0.000 0.757 558 L CB -0.590 41.497 42.059 0.047 0.000 0.899 558 L HN 0.383 nan 8.230 nan 0.000 0.434 559 A N -0.574 122.199 122.820 -0.079 0.000 1.898 559 A HA -0.208 3.714 4.320 -0.664 0.000 0.216 559 A C 2.310 179.855 177.584 -0.065 0.000 1.181 559 A CA 1.467 53.430 52.037 -0.123 0.000 0.620 559 A CB -0.406 18.544 19.000 -0.084 0.000 0.819 559 A HN 0.372 nan 8.150 nan 0.000 0.442 560 E N 0.355 120.538 120.200 -0.028 0.000 2.051 560 E HA -0.209 3.742 4.350 -0.664 0.000 0.192 560 E C 2.152 178.744 176.600 -0.013 0.000 0.991 560 E CA 1.017 57.424 56.400 0.012 0.000 0.799 560 E CB -0.312 29.390 29.700 0.004 0.000 0.748 560 E HN 0.408 nan 8.360 nan 0.000 0.449 561 R N 0.321 120.783 120.500 -0.064 0.000 2.083 561 R HA -0.093 3.849 4.340 -0.664 0.000 0.237 561 R C 2.370 178.483 176.300 -0.312 0.000 1.137 561 R CA 1.256 57.266 56.100 -0.151 0.000 0.951 561 R CB -1.052 29.199 30.300 -0.081 0.000 0.851 561 R HN 0.260 nan 8.270 nan 0.000 0.434 562 A N 0.219 122.926 122.820 -0.188 0.000 1.940 562 A HA -0.218 3.703 4.320 -0.664 0.000 0.219 562 A C 2.082 179.634 177.584 -0.054 0.000 1.176 562 A CA 1.366 53.323 52.037 -0.132 0.000 0.631 562 A CB -0.664 18.266 19.000 -0.117 0.000 0.814 562 A HN 0.401 nan 8.150 nan 0.000 0.446 563 Y N 0.981 121.199 120.300 -0.137 0.000 2.176 563 Y HA -0.099 4.036 4.550 -0.691 0.000 0.291 563 Y C 2.718 178.558 175.900 -0.099 0.000 1.122 563 Y CA 2.046 60.101 58.100 -0.075 0.000 1.128 563 Y CB -0.790 37.635 38.460 -0.059 0.000 1.005 563 Y HN 0.305 nan 8.280 nan 0.000 0.509 564 T N 1.327 115.774 114.554 -0.178 0.000 2.684 564 T HA -0.162 3.790 4.350 -0.664 0.000 0.267 564 T C 1.651 176.192 174.700 -0.265 0.000 1.036 564 T CA 1.902 63.858 62.100 -0.240 0.000 1.148 564 T CB -0.493 68.297 68.868 -0.130 0.000 0.863 564 T HN 0.272 nan 8.240 nan 0.000 0.436 565 L N 1.043 122.055 121.223 -0.351 0.000 2.629 565 L HA 0.266 4.208 4.340 -0.664 0.000 0.230 565 L C 0.174 176.891 176.870 -0.256 0.000 1.151 565 L CA -0.078 54.538 54.840 -0.374 0.000 0.924 565 L CB -0.632 41.056 42.059 -0.618 0.000 1.137 565 L HN 0.360 nan 8.230 nan 0.000 0.457 566 N N -0.021 118.575 118.700 -0.174 0.000 2.738 566 N HA -0.203 4.139 4.740 -0.664 0.000 0.249 566 N C -0.735 174.909 175.510 0.223 0.000 1.047 566 N CA 0.559 53.615 53.050 0.009 0.000 0.707 566 N CB -0.967 37.530 38.487 0.018 0.000 0.937 566 N HN 0.243 nan 8.380 nan 0.000 0.545 567 Y N 0.358 120.708 120.300 0.084 0.000 2.307 567 Y HA 0.413 4.981 4.550 0.030 0.000 0.324 567 Y C 1.377 177.349 175.900 0.120 0.000 1.238 567 Y CA -0.510 57.655 58.100 0.109 0.000 1.280 567 Y CB 0.786 39.349 38.460 0.171 0.000 1.248 567 Y HN -0.123 nan 8.280 nan 0.000 0.508 568 T N 0.594 115.230 114.554 0.136 0.000 2.949 568 T HA 0.349 4.301 4.350 -0.664 0.000 0.287 568 T C -0.858 173.555 174.700 -0.477 0.000 1.034 568 T CA -0.509 61.520 62.100 -0.119 0.000 1.018 568 T CB 0.795 69.607 68.868 -0.092 0.000 1.135 568 T HN 0.802 nan 8.240 nan 0.000 0.532 569 C N 5.307 124.142 119.300 -0.776 0.000 2.415 569 C HA 0.666 4.727 4.460 -0.664 0.000 0.369 569 C C -2.196 172.518 174.990 -0.460 0.000 1.279 569 C CA -1.746 56.729 59.018 -0.906 0.000 1.886 569 C CB -0.189 27.028 27.740 -0.872 0.000 2.468 569 C HN 0.611 nan 8.230 nan 0.000 0.553 570 P HA 0.295 nan 4.420 nan 0.000 0.284 570 P C -0.487 176.448 177.300 -0.607 0.000 1.253 570 P CA 0.205 63.036 63.100 -0.448 0.000 0.800 570 P CB 1.133 32.554 31.700 -0.464 0.000 0.961 571 T N -0.155 114.096 114.554 -0.506 0.000 2.929 571 T HA 0.664 4.615 4.350 -0.664 0.000 0.284 571 T C -0.440 173.938 174.700 -0.536 0.000 1.014 571 T CA -0.527 61.304 62.100 -0.448 0.000 1.051 571 T CB 0.378 69.130 68.868 -0.193 0.000 1.028 571 T HN 0.082 nan 8.240 nan 0.000 0.485 572 F N 1.466 121.378 119.950 -0.064 0.000 2.450 572 F HA 0.671 4.799 4.527 -0.663 0.000 0.332 572 F C 0.355 176.157 175.800 0.003 0.000 1.093 572 F CA -1.401 56.576 58.000 -0.038 0.000 1.003 572 F CB 1.368 40.339 39.000 -0.047 0.000 1.151 572 F HN 0.714 nan 8.300 nan 0.000 0.474 573 I N -1.888 118.812 120.570 0.217 0.000 2.846 573 I HA 0.594 4.366 4.170 -0.664 0.000 0.307 573 I C 0.003 176.210 176.117 0.150 0.000 1.053 573 I CA -0.752 60.632 61.300 0.140 0.000 1.050 573 I CB 1.601 39.656 38.000 0.091 0.000 1.239 573 I HN 0.326 nan 8.210 nan 0.000 0.439 574 D N 1.393 121.860 120.400 0.111 0.000 2.120 574 D HA 0.015 4.257 4.640 -0.664 0.000 0.202 574 D C 0.536 176.912 176.300 0.127 0.000 0.972 574 D CA 1.554 55.617 54.000 0.104 0.000 0.837 574 D CB 0.149 40.994 40.800 0.075 0.000 0.989 574 D HN 0.339 nan 8.370 nan 0.000 0.469 575 K N 0.838 121.302 120.400 0.107 0.000 2.138 575 K HA 0.293 4.214 4.320 -0.664 0.000 0.251 575 K C -2.354 174.320 176.600 0.123 0.000 1.015 575 K CA -2.120 54.229 56.287 0.103 0.000 0.917 575 K CB -0.416 32.117 32.500 0.056 0.000 1.021 575 K HN -0.050 nan 8.250 nan 0.000 0.485 576 P HA 0.308 nan 4.420 nan 0.000 0.276 576 P C -0.606 176.729 177.300 0.058 0.000 1.235 576 P CA -0.200 62.954 63.100 0.091 0.000 0.772 576 P CB 0.862 32.548 31.700 -0.024 0.000 0.871 577 G N 2.238 111.086 108.800 0.080 0.000 2.519 577 G HA2 0.519 4.081 3.960 -0.664 0.000 0.292 577 G HA3 0.519 4.081 3.960 -0.664 0.000 0.292 577 G C -1.903 173.033 174.900 0.060 0.000 1.507 577 G CA -0.613 44.520 45.100 0.055 0.000 0.806 577 G HN 0.367 nan 8.290 nan 0.000 0.523 578 I N 0.966 121.559 120.570 0.037 0.000 2.448 578 I HA 0.430 4.202 4.170 -0.664 0.000 0.281 578 I C -0.130 175.992 176.117 0.009 0.000 1.027 578 I CA -0.671 60.643 61.300 0.023 0.000 1.111 578 I CB 1.982 39.990 38.000 0.013 0.000 1.236 578 I HN 0.209 nan 8.210 nan 0.000 0.452 579 R N 6.644 127.144 120.500 0.000 0.000 2.239 579 R HA 0.653 4.595 4.340 -0.664 0.000 0.332 579 R C -0.727 175.564 176.300 -0.016 0.000 0.988 579 R CA -0.426 55.673 56.100 -0.002 0.000 0.859 579 R CB 1.413 31.712 30.300 -0.003 0.000 1.148 579 R HN 0.572 nan 8.270 nan 0.000 0.482 580 I N 1.724 122.291 120.570 -0.005 0.000 2.562 580 I HA 0.423 4.195 4.170 -0.664 0.000 0.301 580 I C -0.056 176.070 176.117 0.015 0.000 1.003 580 I CA -0.852 60.443 61.300 -0.008 0.000 1.127 580 I CB 2.384 40.378 38.000 -0.011 0.000 1.304 580 I HN 0.416 nan 8.210 nan 0.000 0.446 581 T N 2.388 116.948 114.554 0.010 0.000 2.841 581 T HA 0.251 4.203 4.350 -0.664 0.000 0.285 581 T C -0.433 174.288 174.700 0.036 0.000 0.991 581 T CA -0.614 61.501 62.100 0.024 0.000 0.966 581 T CB 1.464 70.339 68.868 0.011 0.000 0.962 581 T HN 0.546 nan 8.240 nan 0.000 0.438 582 E N 0.780 121.016 120.200 0.059 0.000 2.149 582 E HA -0.149 3.803 4.350 -0.664 0.000 0.191 582 E C 0.566 177.221 176.600 0.092 0.000 1.384 582 E CA 0.906 57.355 56.400 0.082 0.000 0.698 582 E CB -1.431 28.310 29.700 0.067 0.000 1.086 582 E HN 0.948 nan 8.360 nan 0.000 0.338 583 G N 0.075 108.934 108.800 0.099 0.000 2.477 583 G HA2 0.669 4.230 3.960 -0.664 0.000 0.304 583 G HA3 0.669 4.230 3.960 -0.664 0.000 0.304 583 G C -0.039 174.956 174.900 0.159 0.000 1.175 583 G CA -0.700 44.445 45.100 0.074 0.000 0.907 583 G HN 0.100 nan 8.290 nan 0.000 0.509 584 R N -1.230 119.308 120.500 0.063 0.000 2.799 584 R HA 0.324 4.266 4.340 -0.664 0.000 0.270 584 R C -0.848 175.341 176.300 -0.185 0.000 1.010 584 R CA -0.967 55.132 56.100 -0.002 0.000 0.916 584 R CB 1.347 31.519 30.300 -0.214 0.000 1.228 584 R HN 0.589 nan 8.270 nan 0.000 0.469 585 H N 4.363 123.137 119.070 -0.492 0.000 2.934 585 H HA 0.122 4.279 4.556 -0.666 0.000 0.273 585 H C -1.602 173.501 175.328 -0.374 0.000 1.121 585 H CA -2.079 53.773 56.048 -0.327 0.000 1.451 585 H CB 1.134 30.813 29.762 -0.138 0.000 1.469 585 H HN 0.324 nan 8.280 nan 0.000 0.476 586 P HA -0.164 nan 4.420 nan 0.000 0.219 586 P C 1.312 178.651 177.300 0.065 0.000 1.146 586 P CA 0.692 63.748 63.100 -0.074 0.000 0.808 586 P CB 0.673 32.292 31.700 -0.134 0.000 0.779 587 V N -0.342 119.711 119.914 0.231 0.000 2.492 587 V HA -0.096 3.625 4.120 -0.664 0.000 0.241 587 V C 2.770 178.895 176.094 0.050 0.000 1.041 587 V CA 1.043 63.433 62.300 0.151 0.000 1.057 587 V CB -0.912 31.023 31.823 0.186 0.000 0.711 587 V HN -0.110 nan 8.190 nan 0.000 0.468 588 V N 1.751 121.647 119.914 -0.030 0.000 2.469 588 V HA -0.290 3.432 4.120 -0.664 0.000 0.251 588 V C 2.514 178.611 176.094 0.005 0.000 1.064 588 V CA 2.377 64.636 62.300 -0.069 0.000 1.066 588 V CB -0.970 30.808 31.823 -0.076 0.000 0.667 588 V HN 0.871 nan 8.190 nan 0.000 0.461 589 E N -0.176 119.939 120.200 -0.141 0.000 2.107 589 E HA -0.233 3.719 4.350 -0.664 0.000 0.191 589 E C 2.023 178.632 176.600 0.016 0.000 0.982 589 E CA 0.911 57.260 56.400 -0.084 0.000 0.809 589 E CB -0.300 29.239 29.700 -0.268 0.000 0.756 589 E HN 0.468 nan 8.360 nan 0.000 0.459 590 Q N 0.494 120.302 119.800 0.013 0.000 2.369 590 Q HA 0.025 3.967 4.340 -0.664 0.000 0.206 590 Q C 2.050 178.067 176.000 0.029 0.000 0.963 590 Q CA 0.705 56.525 55.803 0.027 0.000 0.894 590 Q CB 0.469 29.227 28.738 0.034 0.000 0.965 590 Q HN 0.294 nan 8.270 nan 0.000 0.475 591 V N -0.347 119.586 119.914 0.032 0.000 2.627 591 V HA 0.071 3.792 4.120 -0.664 0.000 0.239 591 V C 1.002 177.115 176.094 0.033 0.000 1.077 591 V CA 0.238 62.555 62.300 0.028 0.000 1.103 591 V CB 0.145 31.981 31.823 0.022 0.000 0.802 591 V HN 0.146 nan 8.190 nan 0.000 0.482 592 L N 2.046 123.299 121.223 0.049 0.000 2.367 592 L HA 0.241 4.183 4.340 -0.664 0.000 0.275 592 L C 0.900 177.798 176.870 0.047 0.000 1.129 592 L CA 0.061 54.931 54.840 0.049 0.000 0.839 592 L CB 0.163 42.263 42.059 0.068 0.000 1.133 592 L HN 0.301 nan 8.230 nan 0.000 0.453 593 N N 1.339 120.056 118.700 0.029 0.000 2.383 593 N HA 0.027 4.369 4.740 -0.664 0.000 0.192 593 N C 0.194 175.715 175.510 0.018 0.000 1.141 593 N CA 0.157 53.222 53.050 0.024 0.000 0.851 593 N CB 0.555 39.051 38.487 0.015 0.000 0.976 593 N HN 0.622 nan 8.380 nan 0.000 0.465 594 E N 1.786 121.994 120.200 0.014 0.000 2.345 594 E HA 0.229 4.181 4.350 -0.664 0.000 0.259 594 E C -2.071 174.540 176.600 0.019 0.000 1.117 594 E CA -1.510 54.888 56.400 -0.003 0.000 0.913 594 E CB 0.488 30.165 29.700 -0.038 0.000 1.057 594 E HN 0.084 nan 8.360 nan 0.000 0.432 595 P HA 0.025 nan 4.420 nan 0.000 0.268 595 P C -0.332 177.008 177.300 0.067 0.000 1.205 595 P CA 0.040 63.165 63.100 0.042 0.000 0.771 595 P CB 0.283 31.987 31.700 0.008 0.000 0.858 596 F N 2.456 122.420 119.950 0.023 0.000 2.399 596 F HA 0.350 4.492 4.527 -0.643 0.000 0.313 596 F C 0.448 176.302 175.800 0.090 0.000 1.202 596 F CA -0.184 57.860 58.000 0.074 0.000 1.192 596 F CB 0.477 39.546 39.000 0.114 0.000 1.256 596 F HN 0.142 nan 8.300 nan 0.000 0.558 597 I N 3.054 123.294 120.570 -0.550 0.000 2.466 597 I HA 0.356 4.128 4.170 -0.664 0.000 0.289 597 I C -0.675 175.383 176.117 -0.099 0.000 1.026 597 I CA -0.871 60.308 61.300 -0.202 0.000 1.078 597 I CB 1.489 39.392 38.000 -0.162 0.000 1.249 597 I HN 0.674 nan 8.210 nan 0.000 0.429 598 A N 6.803 129.710 122.820 0.145 0.000 2.331 598 A HA 0.576 4.497 4.320 -0.664 0.000 0.283 598 A C -0.422 177.242 177.584 0.133 0.000 1.142 598 A CA -0.434 51.742 52.037 0.231 0.000 0.812 598 A CB 0.364 19.488 19.000 0.206 0.000 1.074 598 A HN 0.745 nan 8.150 nan 0.000 0.497 599 N N 1.612 120.421 118.700 0.181 0.000 2.292 599 N HA 0.626 4.968 4.740 -0.664 0.000 0.303 599 N C -3.013 172.606 175.510 0.182 0.000 1.140 599 N CA -1.238 51.905 53.050 0.155 0.000 0.788 599 N CB 2.317 40.925 38.487 0.202 0.000 1.361 599 N HN 0.434 nan 8.380 nan 0.000 0.489 600 P HA 0.415 nan 4.420 nan 0.000 0.281 600 P C -1.038 176.385 177.300 0.205 0.000 1.264 600 P CA -0.548 62.630 63.100 0.130 0.000 0.824 600 P CB 1.479 33.226 31.700 0.078 0.000 1.092 601 L N 1.392 122.692 121.223 0.129 0.000 2.445 601 L HA 0.620 4.562 4.340 -0.664 0.000 0.262 601 L C -1.253 175.656 176.870 0.066 0.000 0.974 601 L CA -0.406 54.507 54.840 0.121 0.000 0.822 601 L CB 2.095 44.172 42.059 0.030 0.000 1.339 601 L HN 0.346 nan 8.230 nan 0.000 0.409 602 N N 3.676 122.417 118.700 0.067 0.000 2.707 602 N HA 0.474 4.816 4.740 -0.664 0.000 0.249 602 N C -2.050 173.483 175.510 0.039 0.000 1.299 602 N CA -0.275 52.801 53.050 0.043 0.000 0.769 602 N CB 0.469 38.980 38.487 0.039 0.000 1.236 602 N HN 0.557 nan 8.380 nan 0.000 0.524 603 L N 1.487 122.728 121.223 0.030 0.000 2.295 603 L HA 0.683 4.625 4.340 -0.664 0.000 0.285 603 L C 0.401 177.283 176.870 0.019 0.000 1.035 603 L CA -0.588 54.267 54.840 0.025 0.000 0.806 603 L CB 1.446 43.519 42.059 0.024 0.000 1.214 603 L HN 0.501 nan 8.230 nan 0.000 0.426 604 S N 1.812 117.519 115.700 0.012 0.000 2.794 604 S HA 0.611 4.683 4.470 -0.664 0.000 0.299 604 S C -2.480 172.115 174.600 -0.008 0.000 1.179 604 S CA -1.242 56.961 58.200 0.006 0.000 0.838 604 S CB 1.945 65.149 63.200 0.008 0.000 1.206 604 S HN 0.283 nan 8.310 nan 0.000 0.523 605 P HA 0.045 nan 4.420 nan 0.000 0.218 605 P C 0.869 178.154 177.300 -0.026 0.000 1.149 605 P CA 1.115 64.195 63.100 -0.033 0.000 0.817 605 P CB -0.022 31.655 31.700 -0.038 0.000 0.785 606 Q N -1.300 118.490 119.800 -0.016 0.000 2.472 606 Q HA 0.025 3.967 4.340 -0.664 0.000 0.208 606 Q C 0.952 176.944 176.000 -0.014 0.000 0.958 606 Q CA 0.663 56.457 55.803 -0.015 0.000 0.932 606 Q CB -0.133 28.600 28.738 -0.009 0.000 1.007 606 Q HN 0.131 nan 8.270 nan 0.000 0.508 607 R N -0.086 120.408 120.500 -0.011 0.000 2.754 607 R HA 0.273 4.214 4.340 -0.664 0.000 0.255 607 R C 0.008 176.306 176.300 -0.004 0.000 1.723 607 R CA -0.043 56.053 56.100 -0.006 0.000 1.596 607 R CB 0.139 30.443 30.300 0.006 0.000 1.424 607 R HN -0.040 nan 8.270 nan 0.000 0.662 608 R N 0.725 121.215 120.500 -0.016 0.000 2.153 608 R HA 0.132 4.073 4.340 -0.664 0.000 0.218 608 R C 0.606 176.904 176.300 -0.002 0.000 1.072 608 R CA 0.944 57.035 56.100 -0.016 0.000 0.990 608 R CB 0.319 30.598 30.300 -0.035 0.000 0.889 608 R HN 0.298 nan 8.270 nan 0.000 0.452 609 M N 1.122 120.718 119.600 -0.007 0.000 2.224 609 M HA 0.325 4.407 4.480 -0.664 0.000 0.281 609 M C -1.854 174.459 176.300 0.022 0.000 1.025 609 M CA -0.479 54.824 55.300 0.005 0.000 0.954 609 M CB 1.730 34.303 32.600 -0.047 0.000 1.639 609 M HN -0.104 nan 8.290 nan 0.000 0.461 610 L N 5.789 127.057 121.223 0.076 0.000 2.282 610 L HA 0.503 4.444 4.340 -0.664 0.000 0.288 610 L C -0.457 176.495 176.870 0.137 0.000 1.033 610 L CA -0.921 53.980 54.840 0.100 0.000 0.807 610 L CB 1.432 43.581 42.059 0.149 0.000 1.209 610 L HN 0.614 nan 8.230 nan 0.000 0.423 611 I N 5.290 125.920 120.570 0.101 0.000 2.308 611 I HA 0.223 3.994 4.170 -0.664 0.000 0.293 611 I C 0.298 176.513 176.117 0.164 0.000 1.078 611 I CA -0.085 61.302 61.300 0.144 0.000 1.292 611 I CB 0.662 38.687 38.000 0.042 0.000 1.423 611 I HN 0.466 nan 8.210 nan 0.000 0.493 612 I N 6.865 127.555 120.570 0.199 0.000 2.287 612 I HA 0.163 3.934 4.170 -0.664 0.000 0.290 612 I C 0.863 177.087 176.117 0.178 0.000 1.069 612 I CA -0.278 61.124 61.300 0.170 0.000 1.237 612 I CB 0.484 38.584 38.000 0.167 0.000 1.418 612 I HN 0.519 nan 8.210 nan 0.000 0.481 613 T N 2.216 116.889 114.554 0.198 0.000 2.897 613 T HA 0.902 4.853 4.350 -0.664 0.000 0.278 613 T C 0.379 175.216 174.700 0.227 0.000 0.981 613 T CA -0.327 61.903 62.100 0.217 0.000 0.973 613 T CB 2.059 71.075 68.868 0.246 0.000 1.092 613 T HN 0.983 nan 8.240 nan 0.000 0.543 614 G N 0.603 109.535 108.800 0.220 0.000 2.384 614 G HA2 0.197 3.759 3.960 -0.664 0.000 0.668 614 G HA3 0.197 3.759 3.960 -0.664 0.000 0.668 614 G C -3.184 171.857 174.900 0.234 0.000 1.280 614 G CA -0.725 44.524 45.100 0.249 0.000 0.992 614 G HN 0.807 nan 8.290 nan 0.000 0.512 615 P HA 0.181 nan 4.420 nan 0.000 0.270 615 P C 0.282 177.645 177.300 0.105 0.000 1.223 615 P CA -0.197 63.048 63.100 0.242 0.000 0.785 615 P CB 1.048 32.988 31.700 0.400 0.000 0.923 616 N N 1.616 120.320 118.700 0.008 0.000 2.433 616 N HA 0.045 4.387 4.740 -0.664 0.000 0.213 616 N C 0.842 176.295 175.510 -0.095 0.000 1.032 616 N CA 0.693 53.726 53.050 -0.028 0.000 1.047 616 N CB -0.341 38.123 38.487 -0.038 0.000 1.293 616 N HN 0.218 nan 8.380 nan 0.000 0.524 617 M N 0.113 119.607 119.600 -0.177 0.000 2.436 617 M HA -0.215 3.867 4.480 -0.664 0.000 0.197 617 M C 1.037 177.282 176.300 -0.093 0.000 0.442 617 M CA 1.239 56.406 55.300 -0.223 0.000 0.473 617 M CB -2.622 29.696 32.600 -0.470 0.000 1.685 617 M HN 0.587 nan 8.290 nan 0.000 0.835 618 G N -1.703 107.069 108.800 -0.047 0.000 2.363 618 G HA2 -0.304 3.257 3.960 -0.664 0.000 0.238 618 G HA3 -0.304 3.257 3.960 -0.664 0.000 0.238 618 G C 1.015 175.923 174.900 0.014 0.000 1.062 618 G CA 0.857 45.957 45.100 -0.001 0.000 0.629 618 G HN 1.121 nan 8.290 nan 0.000 0.514 619 G N 0.479 109.286 108.800 0.012 0.000 2.529 619 G HA2 -0.222 3.340 3.960 -0.664 0.000 0.219 619 G HA3 -0.222 3.340 3.960 -0.664 0.000 0.219 619 G C 1.604 176.475 174.900 -0.048 0.000 1.177 619 G CA 1.889 46.953 45.100 -0.059 0.000 0.773 619 G HN 0.617 nan 8.290 nan 0.000 0.573 620 K N 0.463 120.870 120.400 0.012 0.000 2.025 620 K HA -0.063 3.858 4.320 -0.664 0.000 0.207 620 K C 3.047 179.709 176.600 0.103 0.000 1.049 620 K CA 1.361 57.688 56.287 0.067 0.000 0.933 620 K CB -0.171 32.366 32.500 0.062 0.000 0.714 620 K HN 0.405 nan 8.250 nan 0.000 0.438 621 S N 0.501 116.236 115.700 0.059 0.000 2.400 621 S HA -0.145 3.927 4.470 -0.664 0.000 0.232 621 S C 2.002 176.659 174.600 0.095 0.000 1.025 621 S CA 1.804 60.040 58.200 0.060 0.000 0.993 621 S CB -0.556 62.663 63.200 0.033 0.000 0.808 621 S HN 0.270 nan 8.310 nan 0.000 0.478 622 T N 1.005 115.616 114.554 0.095 0.000 2.770 622 T HA -0.033 3.919 4.350 -0.664 0.000 0.263 622 T C 1.519 176.353 174.700 0.224 0.000 1.039 622 T CA 1.166 63.361 62.100 0.159 0.000 1.142 622 T CB -0.526 68.387 68.868 0.075 0.000 0.868 622 T HN 0.475 nan 8.240 nan 0.000 0.435 623 Y N 1.662 121.979 120.300 0.027 0.000 2.241 623 Y HA -0.151 4.001 4.550 -0.664 0.000 0.286 623 Y C 2.123 178.054 175.900 0.051 0.000 1.166 623 Y CA 1.185 59.305 58.100 0.034 0.000 1.203 623 Y CB -0.451 38.003 38.460 -0.010 0.000 0.977 623 Y HN 0.177 nan 8.280 nan 0.000 0.529 624 M N -0.690 118.928 119.600 0.030 0.000 2.102 624 M HA -0.155 3.926 4.480 -0.664 0.000 0.259 624 M C 2.302 178.570 176.300 -0.054 0.000 1.083 624 M CA 1.666 56.930 55.300 -0.061 0.000 1.141 624 M CB -0.428 32.189 32.600 0.029 0.000 1.318 624 M HN 0.045 nan 8.290 nan 0.000 0.421 625 R N 0.869 121.388 120.500 0.030 0.000 2.133 625 R HA -0.237 3.705 4.340 -0.664 0.000 0.247 625 R C 2.263 178.505 176.300 -0.097 0.000 1.151 625 R CA 2.114 58.228 56.100 0.023 0.000 0.971 625 R CB -0.738 29.657 30.300 0.157 0.000 0.866 625 R HN 0.620 nan 8.270 nan 0.000 0.447 626 Q N 0.088 119.847 119.800 -0.068 0.000 2.170 626 Q HA -0.110 3.832 4.340 -0.664 0.000 0.203 626 Q C 1.449 177.338 176.000 -0.185 0.000 0.976 626 Q CA 1.828 57.512 55.803 -0.198 0.000 0.858 626 Q CB -0.366 28.362 28.738 -0.018 0.000 0.907 626 Q HN 0.127 nan 8.270 nan 0.000 0.433 627 T N 1.761 116.203 114.554 -0.187 0.000 2.595 627 T HA -0.179 3.773 4.350 -0.664 0.000 0.264 627 T C 2.094 176.725 174.700 -0.115 0.000 1.058 627 T CA 1.842 63.837 62.100 -0.175 0.000 1.166 627 T CB -0.743 67.988 68.868 -0.229 0.000 0.863 627 T HN 0.555 nan 8.240 nan 0.000 0.415 628 A N 1.052 123.816 122.820 -0.093 0.000 1.940 628 A HA -0.134 3.788 4.320 -0.664 0.000 0.221 628 A C 2.371 179.905 177.584 -0.083 0.000 1.190 628 A CA 1.693 53.690 52.037 -0.066 0.000 0.647 628 A CB -1.043 17.927 19.000 -0.050 0.000 0.821 628 A HN 0.490 nan 8.150 nan 0.000 0.457 629 L N -1.102 120.037 121.223 -0.139 0.000 2.023 629 L HA -0.092 3.850 4.340 -0.664 0.000 0.205 629 L C 2.507 179.292 176.870 -0.143 0.000 1.073 629 L CA 1.134 55.874 54.840 -0.167 0.000 0.745 629 L CB -0.418 41.464 42.059 -0.295 0.000 0.900 629 L HN 0.360 nan 8.230 nan 0.000 0.435 630 I N -0.059 120.414 120.570 -0.162 0.000 2.248 630 I HA -0.367 3.404 4.170 -0.664 0.000 0.248 630 I C 2.713 178.789 176.117 -0.069 0.000 1.107 630 I CA 1.341 62.556 61.300 -0.142 0.000 1.373 630 I CB -0.367 37.547 38.000 -0.145 0.000 1.055 630 I HN 0.262 nan 8.210 nan 0.000 0.418 631 A N 0.718 123.525 122.820 -0.021 0.000 1.855 631 A HA -0.182 3.739 4.320 -0.664 0.000 0.215 631 A C 2.261 179.930 177.584 0.141 0.000 1.191 631 A CA 1.184 53.274 52.037 0.089 0.000 0.613 631 A CB -0.886 18.167 19.000 0.090 0.000 0.829 631 A HN 0.385 nan 8.150 nan 0.000 0.442 632 L N -0.252 121.006 121.223 0.058 0.000 2.010 632 L HA -0.246 3.695 4.340 -0.664 0.000 0.219 632 L C 2.355 179.272 176.870 0.079 0.000 1.077 632 L CA 2.836 57.709 54.840 0.056 0.000 0.773 632 L CB -1.283 40.767 42.059 -0.015 0.000 0.892 632 L HN 0.511 nan 8.230 nan 0.000 0.436 633 M N -0.629 118.984 119.600 0.022 0.000 2.086 633 M HA -0.175 3.907 4.480 -0.664 0.000 0.261 633 M C 2.321 178.647 176.300 0.043 0.000 1.067 633 M CA 2.060 57.374 55.300 0.023 0.000 1.116 633 M CB -0.488 32.084 32.600 -0.047 0.000 1.348 633 M HN 0.447 nan 8.290 nan 0.000 0.407 634 A N -0.504 122.316 122.820 0.000 0.000 1.903 634 A HA -0.229 3.692 4.320 -0.664 0.000 0.219 634 A C 1.518 179.079 177.584 -0.039 0.000 1.191 634 A CA 1.767 53.758 52.037 -0.076 0.000 0.638 634 A CB -1.187 17.714 19.000 -0.166 0.000 0.823 634 A HN 0.578 nan 8.150 nan 0.000 0.451 635 Y N -1.254 119.122 120.300 0.127 0.000 2.496 635 Y HA 0.309 4.463 4.550 -0.661 0.000 0.313 635 Y C 1.373 177.297 175.900 0.039 0.000 1.184 635 Y CA -0.086 58.081 58.100 0.113 0.000 1.275 635 Y CB 0.356 38.856 38.460 0.067 0.000 1.103 635 Y HN 0.267 nan 8.280 nan 0.000 0.513 636 I N -1.697 118.951 120.570 0.130 0.000 4.227 636 I HA 0.177 3.948 4.170 -0.664 0.000 0.334 636 I C 1.478 177.628 176.117 0.054 0.000 1.341 636 I CA 0.908 62.254 61.300 0.077 0.000 1.123 636 I CB 0.460 38.536 38.000 0.128 0.000 1.097 636 I HN 0.350 nan 8.210 nan 0.000 0.399 637 G N 1.058 109.910 108.800 0.088 0.000 2.213 637 G HA2 -0.266 3.296 3.960 -0.664 0.000 0.236 637 G HA3 -0.266 3.296 3.960 -0.664 0.000 0.236 637 G C 0.594 175.604 174.900 0.184 0.000 0.991 637 G CA 0.539 45.709 45.100 0.115 0.000 0.629 637 G HN 0.413 nan 8.290 nan 0.000 0.517 638 S N -0.413 115.399 115.700 0.187 0.000 2.600 638 S HA 0.605 4.677 4.470 -0.664 0.000 0.265 638 S C 0.557 175.357 174.600 0.333 0.000 1.325 638 S CA -0.460 57.876 58.200 0.227 0.000 1.002 638 S CB 0.309 63.624 63.200 0.191 0.000 0.921 638 S HN 0.299 nan 8.310 nan 0.000 0.554 639 Y N 0.720 121.094 120.300 0.123 0.000 2.298 639 Y HA 0.460 4.608 4.550 -0.670 0.000 0.329 639 Y C 0.614 176.533 175.900 0.033 0.000 1.293 639 Y CA -1.312 56.856 58.100 0.113 0.000 1.388 639 Y CB 0.709 39.297 38.460 0.213 0.000 1.309 639 Y HN 0.506 nan 8.280 nan 0.000 0.544 640 V N -0.163 119.770 119.914 0.032 0.000 2.735 640 V HA 0.568 4.290 4.120 -0.664 0.000 0.310 640 V C -2.808 173.036 176.094 -0.417 0.000 1.061 640 V CA -2.900 59.219 62.300 -0.303 0.000 0.913 640 V CB 2.030 33.731 31.823 -0.202 0.000 1.005 640 V HN 0.600 nan 8.190 nan 0.000 0.428 641 P HA 0.468 nan 4.420 nan 0.000 0.259 641 P C -0.258 176.973 177.300 -0.114 0.000 1.635 641 P CA 0.659 63.525 63.100 -0.390 0.000 1.199 641 P CB 0.307 31.736 31.700 -0.451 0.000 1.850 642 A N 2.930 125.737 122.820 -0.021 0.000 2.586 642 A HA 0.222 4.144 4.320 -0.664 0.000 0.296 642 A C 0.930 178.520 177.584 0.010 0.000 1.040 642 A CA -0.502 51.532 52.037 -0.005 0.000 0.701 642 A CB 0.663 19.636 19.000 -0.045 0.000 1.277 642 A HN 0.158 nan 8.150 nan 0.000 0.413 643 Q N 0.290 120.100 119.800 0.017 0.000 2.170 643 Q HA -0.086 3.856 4.340 -0.664 0.000 0.203 643 Q C 0.503 176.491 176.000 -0.021 0.000 0.976 643 Q CA 2.008 57.816 55.803 0.009 0.000 0.858 643 Q CB -0.048 28.699 28.738 0.016 0.000 0.907 643 Q HN 0.671 nan 8.270 nan 0.000 0.433 644 K N -1.057 119.322 120.400 -0.035 0.000 2.580 644 K HA 0.346 4.267 4.320 -0.664 0.000 0.258 644 K C -1.921 174.633 176.600 -0.077 0.000 0.936 644 K CA -0.270 55.978 56.287 -0.064 0.000 0.852 644 K CB 1.754 34.225 32.500 -0.048 0.000 1.329 644 K HN -0.203 nan 8.250 nan 0.000 0.430 645 V N 3.517 123.359 119.914 -0.120 0.000 2.409 645 V HA 0.322 4.043 4.120 -0.664 0.000 0.290 645 V C -0.757 175.239 176.094 -0.163 0.000 1.017 645 V CA -0.679 61.543 62.300 -0.130 0.000 0.841 645 V CB 1.521 33.250 31.823 -0.156 0.000 1.003 645 V HN 0.819 nan 8.190 nan 0.000 0.426 646 E N 4.081 124.214 120.200 -0.112 0.000 2.266 646 E HA 0.704 4.656 4.350 -0.664 0.000 0.277 646 E C -0.851 175.708 176.600 -0.069 0.000 1.018 646 E CA -0.375 55.962 56.400 -0.105 0.000 0.840 646 E CB 2.531 32.200 29.700 -0.051 0.000 1.082 646 E HN 0.581 nan 8.360 nan 0.000 0.395 647 I N 1.208 121.749 120.570 -0.048 0.000 2.775 647 I HA 0.430 4.201 4.170 -0.664 0.000 0.295 647 I C -0.214 176.028 176.117 0.209 0.000 1.287 647 I CA -0.499 60.843 61.300 0.070 0.000 1.029 647 I CB 1.691 39.732 38.000 0.069 0.000 1.282 647 I HN 0.662 nan 8.210 nan 0.000 0.426 648 G N 5.188 114.127 108.800 0.231 0.000 2.543 648 G HA2 0.579 4.141 3.960 -0.664 0.000 0.290 648 G HA3 0.579 4.141 3.960 -0.664 0.000 0.290 648 G C -2.897 172.218 174.900 0.359 0.000 1.310 648 G CA -1.222 44.038 45.100 0.266 0.000 1.025 648 G HN 0.367 nan 8.290 nan 0.000 0.502 649 P HA 0.327 nan 4.420 nan 0.000 0.276 649 P C -0.623 176.693 177.300 0.026 0.000 1.235 649 P CA 0.135 63.300 63.100 0.108 0.000 0.772 649 P CB 0.872 32.586 31.700 0.023 0.000 0.871 650 I N 3.102 123.519 120.570 -0.255 0.000 2.509 650 I HA 0.246 4.018 4.170 -0.664 0.000 0.293 650 I C 1.002 176.968 176.117 -0.252 0.000 1.020 650 I CA -0.406 60.785 61.300 -0.182 0.000 1.088 650 I CB 2.524 40.405 38.000 -0.198 0.000 1.267 650 I HN 0.392 nan 8.210 nan 0.000 0.430 651 D N 4.568 124.901 120.400 -0.112 0.000 2.514 651 D HA 0.089 4.331 4.640 -0.664 0.000 0.249 651 D C 0.536 176.762 176.300 -0.123 0.000 1.036 651 D CA 0.293 54.224 54.000 -0.115 0.000 0.911 651 D CB 0.635 41.406 40.800 -0.048 0.000 1.145 651 D HN 0.382 nan 8.370 nan 0.000 0.495 652 R N -0.428 120.002 120.500 -0.116 0.000 2.771 652 R HA 0.703 4.645 4.340 -0.664 0.000 0.274 652 R C -1.031 175.084 176.300 -0.309 0.000 0.987 652 R CA -0.645 55.281 56.100 -0.290 0.000 0.908 652 R CB 2.697 32.739 30.300 -0.430 0.000 1.213 652 R HN -0.052 nan 8.270 nan 0.000 0.468 653 I N 2.201 122.512 120.570 -0.433 0.000 2.436 653 I HA 0.404 4.176 4.170 -0.664 0.000 0.289 653 I C -1.188 174.676 176.117 -0.421 0.000 1.010 653 I CA -0.426 60.711 61.300 -0.272 0.000 1.098 653 I CB 1.227 39.140 38.000 -0.146 0.000 1.266 653 I HN 0.370 nan 8.210 nan 0.000 0.434 654 F N 3.221 123.171 119.950 -0.000 0.000 2.520 654 F HA 0.563 4.692 4.527 -0.662 0.000 0.322 654 F C -0.007 175.792 175.800 -0.001 0.000 1.103 654 F CA -0.667 57.334 58.000 0.003 0.000 0.926 654 F CB 2.297 41.302 39.000 0.009 0.000 1.154 654 F HN 0.258 nan 8.300 nan 0.000 0.453 655 T N -0.308 114.346 114.554 0.166 0.000 3.135 655 T HA 0.274 4.226 4.350 -0.664 0.000 0.357 655 T C -0.556 174.186 174.700 0.071 0.000 1.112 655 T CA -0.882 61.271 62.100 0.089 0.000 1.290 655 T CB 0.547 69.443 68.868 0.047 0.000 1.018 655 T HN 0.556 nan 8.240 nan 0.000 0.527 656 R N 2.178 122.713 120.500 0.058 0.000 3.266 656 R HA 0.482 4.424 4.340 -0.664 0.000 0.224 656 R C -1.144 175.158 176.300 0.003 0.000 1.525 656 R CA -0.252 55.862 56.100 0.023 0.000 1.364 656 R CB -0.679 29.622 30.300 0.001 0.000 1.276 656 R HN 0.442 nan 8.270 nan 0.000 0.660 657 V N 3.253 123.175 119.914 0.013 0.000 2.454 657 V HA 0.712 4.434 4.120 -0.664 0.000 0.267 657 V C 0.178 176.279 176.094 0.012 0.000 0.993 657 V CA -0.255 62.050 62.300 0.009 0.000 0.836 657 V CB 1.104 32.940 31.823 0.021 0.000 1.055 657 V HN 0.770 nan 8.190 nan 0.000 0.452 670 F N 1.451 121.414 119.950 0.022 0.000 2.171 670 F HA -0.012 4.116 4.527 -0.664 0.000 0.300 670 F C 2.235 178.054 175.800 0.031 0.000 1.090 670 F CA 1.485 59.504 58.000 0.030 0.000 1.293 670 F CB -0.303 38.720 39.000 0.038 0.000 1.013 670 F HN 0.441 nan 8.300 nan 0.000 0.486 671 M N 0.029 119.640 119.600 0.018 0.000 2.073 671 M HA -0.220 3.861 4.480 -0.664 0.000 0.258 671 M C 2.284 178.511 176.300 -0.121 0.000 1.070 671 M CA 1.544 56.795 55.300 -0.081 0.000 1.103 671 M CB -1.318 31.297 32.600 0.026 0.000 1.321 671 M HN 0.111 nan 8.290 nan 0.000 0.405 672 V N -0.013 119.865 119.914 -0.059 0.000 2.219 672 V HA -0.318 3.403 4.120 -0.664 0.000 0.248 672 V C 2.236 178.278 176.094 -0.087 0.000 1.053 672 V CA 2.314 64.584 62.300 -0.050 0.000 1.009 672 V CB -0.797 31.016 31.823 -0.017 0.000 0.636 672 V HN 0.469 nan 8.190 nan 0.000 0.445 673 E N -0.787 119.349 120.200 -0.105 0.000 2.113 673 E HA -0.306 3.646 4.350 -0.664 0.000 0.210 673 E C 2.213 178.699 176.600 -0.190 0.000 1.040 673 E CA 2.244 58.566 56.400 -0.131 0.000 0.847 673 E CB -0.155 29.468 29.700 -0.127 0.000 0.755 673 E HN 0.389 nan 8.360 nan 0.000 0.459 674 M N -0.542 118.859 119.600 -0.332 0.000 2.236 674 M HA -0.070 4.012 4.480 -0.664 0.000 0.266 674 M C 2.344 178.555 176.300 -0.149 0.000 1.070 674 M CA 1.242 56.358 55.300 -0.308 0.000 1.137 674 M CB -0.831 31.465 32.600 -0.506 0.000 1.378 674 M HN 0.107 nan 8.290 nan 0.000 0.426 675 T N 0.782 115.267 114.554 -0.115 0.000 2.708 675 T HA -0.132 3.819 4.350 -0.664 0.000 0.266 675 T C 1.762 176.449 174.700 -0.022 0.000 1.037 675 T CA 1.338 63.410 62.100 -0.047 0.000 1.146 675 T CB -0.112 68.736 68.868 -0.034 0.000 0.865 675 T HN 0.443 nan 8.240 nan 0.000 0.435 676 E N 0.418 120.599 120.200 -0.031 0.000 2.077 676 E HA -0.099 3.852 4.350 -0.664 0.000 0.193 676 E C 2.369 178.959 176.600 -0.016 0.000 0.989 676 E CA 1.291 57.688 56.400 -0.004 0.000 0.800 676 E CB -0.204 29.494 29.700 -0.004 0.000 0.746 676 E HN 0.369 nan 8.360 nan 0.000 0.452 677 T N 0.792 115.317 114.554 -0.048 0.000 2.915 677 T HA -0.075 3.876 4.350 -0.664 0.000 0.269 677 T C 1.891 176.552 174.700 -0.065 0.000 1.071 677 T CA 0.944 63.009 62.100 -0.059 0.000 1.132 677 T CB -0.073 68.759 68.868 -0.060 0.000 0.878 677 T HN 0.225 nan 8.240 nan 0.000 0.479 678 A N 2.473 125.270 122.820 -0.039 0.000 1.873 678 A HA -0.141 3.781 4.320 -0.664 0.000 0.215 678 A C 2.279 179.895 177.584 0.053 0.000 1.186 678 A CA 1.593 53.627 52.037 -0.004 0.000 0.616 678 A CB -0.768 18.268 19.000 0.061 0.000 0.823 678 A HN 0.485 nan 8.150 nan 0.000 0.442 679 N N 0.519 119.257 118.700 0.064 0.000 2.149 679 N HA -0.137 4.205 4.740 -0.664 0.000 0.188 679 N C 1.653 177.151 175.510 -0.020 0.000 1.019 679 N CA 1.725 54.829 53.050 0.090 0.000 0.857 679 N CB -0.311 38.235 38.487 0.099 0.000 0.997 679 N HN 0.559 nan 8.380 nan 0.000 0.426 680 I N 0.649 121.114 120.570 -0.175 0.000 2.252 680 I HA -0.234 3.537 4.170 -0.664 0.000 0.245 680 I C 2.034 177.894 176.117 -0.427 0.000 1.102 680 I CA 0.753 61.714 61.300 -0.564 0.000 1.385 680 I CB -0.125 37.596 38.000 -0.465 0.000 1.064 680 I HN 0.112 nan 8.210 nan 0.000 0.414 681 L N -0.614 120.464 121.223 -0.241 0.000 2.240 681 L HA -0.137 3.804 4.340 -0.664 0.000 0.211 681 L C 2.463 179.216 176.870 -0.194 0.000 1.106 681 L CA 0.713 55.421 54.840 -0.220 0.000 0.793 681 L CB -0.692 41.236 42.059 -0.218 0.000 0.927 681 L HN 0.319 nan 8.230 nan 0.000 0.446 682 H N 0.048 119.067 119.070 -0.085 0.000 2.470 682 H HA 0.080 4.237 4.556 -0.664 0.000 0.289 682 H C 1.277 176.593 175.328 -0.021 0.000 1.033 682 H CA 0.904 56.928 56.048 -0.039 0.000 1.331 682 H CB 0.414 30.164 29.762 -0.020 0.000 1.414 682 H HN 0.398 nan 8.280 nan 0.000 0.545 683 N N -0.230 118.514 118.700 0.073 0.000 2.166 683 N HA 0.108 4.449 4.740 -0.664 0.000 0.213 683 N C 0.339 175.930 175.510 0.134 0.000 1.222 683 N CA 0.040 53.166 53.050 0.126 0.000 0.900 683 N CB 1.272 39.900 38.487 0.235 0.000 1.055 683 N HN 0.014 nan 8.380 nan 0.000 0.515 684 A N 1.774 124.567 122.820 -0.045 0.000 2.450 684 A HA 0.382 4.303 4.320 -0.664 0.000 0.255 684 A C 0.985 178.617 177.584 0.080 0.000 1.096 684 A CA 0.031 52.079 52.037 0.019 0.000 0.778 684 A CB 0.076 18.971 19.000 -0.174 0.000 1.031 684 A HN 0.240 nan 8.150 nan 0.000 0.494 685 T N -0.716 113.927 114.554 0.150 0.000 2.893 685 T HA 0.410 4.362 4.350 -0.664 0.000 0.279 685 T C 0.827 175.572 174.700 0.075 0.000 0.991 685 T CA 0.173 62.347 62.100 0.123 0.000 0.950 685 T CB 0.903 69.891 68.868 0.199 0.000 1.223 685 T HN 0.737 nan 8.240 nan 0.000 0.585 686 E N -0.601 119.592 120.200 -0.012 0.000 2.502 686 E HA -0.031 3.921 4.350 -0.664 0.000 0.194 686 E C -0.138 176.296 176.600 -0.277 0.000 1.062 686 E CA 0.253 56.553 56.400 -0.166 0.000 0.867 686 E CB -0.380 29.158 29.700 -0.270 0.000 0.888 686 E HN 0.804 nan 8.360 nan 0.000 0.510 687 Y N 1.154 121.470 120.300 0.027 0.000 2.746 687 Y HA 0.348 4.499 4.550 -0.665 0.000 0.312 687 Y C 0.178 176.094 175.900 0.026 0.000 1.117 687 Y CA -0.585 57.524 58.100 0.016 0.000 1.324 687 Y CB 0.653 39.109 38.460 -0.005 0.000 1.173 687 Y HN -0.097 nan 8.280 nan 0.000 0.529 688 S N 1.160 116.960 115.700 0.167 0.000 2.608 688 S HA 0.494 4.566 4.470 -0.664 0.000 0.291 688 S C -0.937 173.755 174.600 0.153 0.000 1.146 688 S CA -0.610 57.708 58.200 0.196 0.000 1.043 688 S CB 1.465 64.868 63.200 0.338 0.000 1.037 688 S HN 0.251 nan 8.310 nan 0.000 0.520 689 L N 3.729 125.039 121.223 0.145 0.000 2.282 689 L HA 0.678 4.620 4.340 -0.664 0.000 0.288 689 L C -1.276 175.721 176.870 0.212 0.000 1.033 689 L CA -0.185 54.727 54.840 0.121 0.000 0.807 689 L CB 1.043 43.137 42.059 0.058 0.000 1.209 689 L HN 0.408 nan 8.230 nan 0.000 0.423 690 V N 6.710 126.729 119.914 0.177 0.000 2.483 690 V HA 0.483 4.205 4.120 -0.664 0.000 0.297 690 V C -0.402 175.763 176.094 0.119 0.000 1.027 690 V CA -0.521 61.895 62.300 0.193 0.000 0.855 690 V CB 1.707 33.596 31.823 0.109 0.000 0.995 690 V HN 0.603 nan 8.190 nan 0.000 0.424 691 L N 5.762 127.050 121.223 0.109 0.000 2.333 691 L HA 0.710 4.651 4.340 -0.664 0.000 0.280 691 L C -0.515 176.369 176.870 0.023 0.000 1.004 691 L CA -0.379 54.496 54.840 0.058 0.000 0.820 691 L CB 1.840 43.924 42.059 0.041 0.000 1.247 691 L HN 0.438 nan 8.230 nan 0.000 0.416 692 M N 2.560 122.138 119.600 -0.036 0.000 2.326 692 M HA 0.328 4.410 4.480 -0.664 0.000 0.292 692 M C -1.635 174.541 176.300 -0.207 0.000 1.081 692 M CA -0.511 54.700 55.300 -0.148 0.000 0.919 692 M CB 2.520 34.952 32.600 -0.281 0.000 1.634 692 M HN 0.393 nan 8.290 nan 0.000 0.451 693 D N 2.411 122.717 120.400 -0.157 0.000 2.349 693 D HA 0.244 4.486 4.640 -0.664 0.000 0.232 693 D C -0.473 175.750 176.300 -0.128 0.000 1.071 693 D CA 0.164 54.095 54.000 -0.114 0.000 0.832 693 D CB 0.906 41.672 40.800 -0.057 0.000 1.086 693 D HN 0.590 nan 8.370 nan 0.000 0.504 694 E N 2.378 122.507 120.200 -0.118 0.000 1.435 694 E HA -0.219 3.733 4.350 -0.664 0.000 0.170 694 E C 0.438 177.029 176.600 -0.016 0.000 1.045 694 E CA 0.275 56.642 56.400 -0.056 0.000 0.473 694 E CB -0.973 28.659 29.700 -0.113 0.000 1.041 694 E HN 0.492 nan 8.360 nan 0.000 0.256 695 I N -2.250 118.306 120.570 -0.022 0.000 2.638 695 I HA 0.413 4.184 4.170 -0.664 0.000 0.286 695 I C 1.439 177.763 176.117 0.345 0.000 1.088 695 I CA 0.442 61.803 61.300 0.100 0.000 1.397 695 I CB 1.160 39.181 38.000 0.034 0.000 1.414 695 I HN 0.382 nan 8.210 nan 0.000 0.566 696 G N 5.054 114.105 108.800 0.417 0.000 2.349 696 G HA2 -0.224 3.338 3.960 -0.664 0.000 0.213 696 G HA3 -0.224 3.338 3.960 -0.664 0.000 0.213 696 G C 0.523 175.703 174.900 0.466 0.000 1.044 696 G CA -0.196 45.256 45.100 0.586 0.000 0.633 696 G HN 0.752 nan 8.290 nan 0.000 0.506 697 R N 0.915 121.580 120.500 0.276 0.000 2.585 697 R HA 0.396 4.338 4.340 -0.664 0.000 0.275 697 R C 1.558 177.962 176.300 0.174 0.000 1.018 697 R CA 1.832 57.993 56.100 0.101 0.000 1.072 697 R CB 0.269 30.508 30.300 -0.100 0.000 0.953 697 R HN 1.489 nan 8.270 nan 0.000 0.419 698 G N 1.042 109.896 108.800 0.090 0.000 2.278 698 G HA2 -0.242 3.320 3.960 -0.664 0.000 0.210 698 G HA3 -0.242 3.320 3.960 -0.664 0.000 0.210 698 G C 0.304 175.112 174.900 -0.154 0.000 1.000 698 G CA 0.136 45.264 45.100 0.046 0.000 0.635 698 G HN 0.672 nan 8.290 nan 0.000 0.495 699 T N 0.099 114.507 114.554 -0.244 0.000 2.724 699 T HA 0.655 4.606 4.350 -0.664 0.000 0.274 699 T C 0.773 175.415 174.700 -0.096 0.000 0.984 699 T CA 0.935 62.825 62.100 -0.350 0.000 1.024 699 T CB 1.090 69.480 68.868 -0.796 0.000 1.320 699 T HN 1.269 nan 8.240 nan 0.000 0.555 700 S N 0.743 116.394 115.700 -0.081 0.000 2.562 700 S HA 0.152 4.224 4.470 -0.664 0.000 0.281 700 S C 1.479 176.123 174.600 0.073 0.000 1.333 700 S CA 0.155 58.346 58.200 -0.014 0.000 1.052 700 S CB 0.382 63.559 63.200 -0.038 0.000 0.884 700 S HN 0.781 nan 8.310 nan 0.000 0.506 701 T N 2.280 116.885 114.554 0.084 0.000 2.656 701 T HA -0.243 3.709 4.350 -0.664 0.000 0.262 701 T C 1.113 175.954 174.700 0.234 0.000 1.070 701 T CA 2.470 64.678 62.100 0.180 0.000 1.160 701 T CB -0.739 68.155 68.868 0.043 0.000 0.855 701 T HN 0.758 nan 8.240 nan 0.000 0.456 702 Y N 1.049 121.340 120.300 -0.016 0.000 2.347 702 Y HA 0.093 4.245 4.550 -0.664 0.000 0.294 702 Y C 2.437 178.293 175.900 -0.073 0.000 1.117 702 Y CA -0.269 57.790 58.100 -0.069 0.000 1.184 702 Y CB -0.745 37.681 38.460 -0.056 0.000 1.047 702 Y HN 0.199 nan 8.280 nan 0.000 0.546 703 D N -0.642 119.836 120.400 0.131 0.000 2.144 703 D HA -0.123 4.118 4.640 -0.664 0.000 0.199 703 D C 2.376 178.730 176.300 0.089 0.000 0.984 703 D CA 1.504 55.550 54.000 0.077 0.000 0.834 703 D CB -0.518 40.308 40.800 0.044 0.000 0.955 703 D HN 0.399 nan 8.370 nan 0.000 0.465 704 G N 0.661 109.527 108.800 0.110 0.000 2.396 704 G HA2 -0.158 3.404 3.960 -0.664 0.000 0.214 704 G HA3 -0.158 3.404 3.960 -0.664 0.000 0.214 704 G C 1.571 176.416 174.900 -0.091 0.000 1.166 704 G CA 0.293 45.513 45.100 0.200 0.000 0.793 704 G HN 0.227 nan 8.290 nan 0.000 0.533 705 L N 1.408 122.325 121.223 -0.510 0.000 2.042 705 L HA -0.025 3.917 4.340 -0.664 0.000 0.210 705 L C 2.725 179.443 176.870 -0.253 0.000 1.076 705 L CA 2.394 56.715 54.840 -0.864 0.000 0.749 705 L CB -0.709 41.014 42.059 -0.561 0.000 0.893 705 L HN 0.163 nan 8.230 nan 0.000 0.432 706 S N -0.627 114.997 115.700 -0.126 0.000 2.345 706 S HA -0.051 4.020 4.470 -0.664 0.000 0.219 706 S C 1.920 176.562 174.600 0.069 0.000 1.031 706 S CA 1.273 59.444 58.200 -0.048 0.000 0.984 706 S CB -0.433 62.723 63.200 -0.074 0.000 0.874 706 S HN 0.446 nan 8.310 nan 0.000 0.451 707 L N 1.242 122.525 121.223 0.100 0.000 2.043 707 L HA -0.229 3.712 4.340 -0.664 0.000 0.212 707 L C 2.689 179.685 176.870 0.211 0.000 1.075 707 L CA 1.399 56.334 54.840 0.159 0.000 0.752 707 L CB -0.564 41.625 42.059 0.216 0.000 0.891 707 L HN 0.344 nan 8.230 nan 0.000 0.432 708 A N -1.019 121.955 122.820 0.257 0.000 1.872 708 A HA -0.245 3.676 4.320 -0.664 0.000 0.214 708 A C 2.130 179.869 177.584 0.260 0.000 1.187 708 A CA 1.067 53.354 52.037 0.416 0.000 0.614 708 A CB -1.046 18.284 19.000 0.550 0.000 0.826 708 A HN 0.623 nan 8.150 nan 0.000 0.442 709 W N 0.956 122.248 121.300 -0.014 0.000 2.321 709 W HA -0.262 4.000 4.660 -0.663 0.000 0.306 709 W C 2.303 178.756 176.519 -0.110 0.000 1.217 709 W CA 2.489 59.770 57.345 -0.107 0.000 1.257 709 W CB -0.455 28.930 29.460 -0.125 0.000 1.145 709 W HN 0.417 nan 8.180 nan 0.000 0.509 710 A N -0.819 122.150 122.820 0.249 0.000 2.014 710 A HA -0.160 3.762 4.320 -0.664 0.000 0.218 710 A C 2.108 179.719 177.584 0.044 0.000 1.163 710 A CA 1.600 53.725 52.037 0.147 0.000 0.652 710 A CB -1.270 17.794 19.000 0.106 0.000 0.808 710 A HN 0.320 nan 8.150 nan 0.000 0.449 711 C N -1.306 118.025 119.300 0.053 0.000 2.475 711 C HA 0.220 4.281 4.460 -0.664 0.000 0.279 711 C C 3.236 178.166 174.990 -0.101 0.000 1.322 711 C CA 0.561 59.607 59.018 0.045 0.000 1.734 711 C CB -1.008 26.866 27.740 0.224 0.000 2.005 711 C HN 0.704 nan 8.230 nan 0.000 0.495 712 A N 0.501 123.101 122.820 -0.365 0.000 1.872 712 A HA -0.136 3.786 4.320 -0.664 0.000 0.214 712 A C 2.063 179.423 177.584 -0.373 0.000 1.187 712 A CA 1.236 52.888 52.037 -0.642 0.000 0.614 712 A CB -0.635 17.702 19.000 -1.106 0.000 0.826 712 A HN 0.615 nan 8.150 nan 0.000 0.442 713 E N -0.420 119.590 120.200 -0.316 0.000 2.108 713 E HA -0.303 3.649 4.350 -0.664 0.000 0.203 713 E C 1.927 178.456 176.600 -0.118 0.000 1.022 713 E CA 1.778 58.070 56.400 -0.181 0.000 0.823 713 E CB -0.243 29.421 29.700 -0.060 0.000 0.744 713 E HN 0.667 nan 8.360 nan 0.000 0.456 714 N N 0.143 118.786 118.700 -0.095 0.000 2.216 714 N HA -0.081 4.261 4.740 -0.664 0.000 0.183 714 N C 1.698 177.161 175.510 -0.079 0.000 1.017 714 N CA 0.593 53.600 53.050 -0.072 0.000 0.861 714 N CB 0.047 38.498 38.487 -0.060 0.000 0.986 714 N HN 0.052 nan 8.380 nan 0.000 0.428 715 L N -0.871 120.296 121.223 -0.092 0.000 2.492 715 L HA 0.198 4.140 4.340 -0.664 0.000 0.223 715 L C 1.788 178.609 176.870 -0.081 0.000 1.132 715 L CA 0.583 55.378 54.840 -0.075 0.000 0.850 715 L CB -0.002 42.030 42.059 -0.046 0.000 0.966 715 L HN 0.218 nan 8.230 nan 0.000 0.454 716 A N -0.693 122.062 122.820 -0.108 0.000 2.055 716 A HA 0.047 3.969 4.320 -0.664 0.000 0.205 716 A C 1.778 179.310 177.584 -0.087 0.000 1.235 716 A CA 0.415 52.389 52.037 -0.105 0.000 0.822 716 A CB -0.098 18.814 19.000 -0.147 0.000 0.903 716 A HN 0.364 nan 8.150 nan 0.000 0.473 717 N N -1.229 117.421 118.700 -0.082 0.000 2.454 717 N HA 0.022 4.363 4.740 -0.664 0.000 0.177 717 N C 1.653 177.132 175.510 -0.051 0.000 1.049 717 N CA 0.315 53.327 53.050 -0.062 0.000 0.887 717 N CB 0.279 38.732 38.487 -0.056 0.000 1.095 717 N HN 0.112 nan 8.380 nan 0.000 0.446 718 K N 1.481 121.849 120.400 -0.053 0.000 2.157 718 K HA 0.209 4.131 4.320 -0.664 0.000 0.207 718 K C 1.861 178.436 176.600 -0.043 0.000 1.030 718 K CA 0.375 56.636 56.287 -0.043 0.000 0.965 718 K CB -0.040 32.435 32.500 -0.041 0.000 0.877 718 K HN -0.008 nan 8.250 nan 0.000 0.460 719 I N 1.411 121.951 120.570 -0.049 0.000 2.233 719 I HA -0.184 3.588 4.170 -0.664 0.000 0.243 719 I C 0.740 176.825 176.117 -0.052 0.000 1.093 719 I CA 1.105 62.379 61.300 -0.044 0.000 1.380 719 I CB -0.035 37.935 38.000 -0.050 0.000 1.067 719 I HN 0.238 nan 8.210 nan 0.000 0.413 720 K N -0.190 120.174 120.400 -0.059 0.000 3.341 720 K HA -0.170 3.752 4.320 -0.664 0.000 0.305 720 K C 0.243 176.804 176.600 -0.066 0.000 1.270 720 K CA 0.242 56.489 56.287 -0.067 0.000 0.897 720 K CB -1.851 30.603 32.500 -0.078 0.000 1.264 720 K HN 0.429 nan 8.250 nan 0.000 0.468 721 A N 0.956 123.751 122.820 -0.043 0.000 2.386 721 A HA 0.352 4.274 4.320 -0.664 0.000 0.248 721 A C 0.578 178.162 177.584 -0.001 0.000 1.082 721 A CA -0.284 51.745 52.037 -0.014 0.000 0.789 721 A CB 0.259 19.271 19.000 0.022 0.000 1.025 721 A HN 0.295 nan 8.150 nan 0.000 0.490 722 L N 2.416 123.649 121.223 0.016 0.000 2.565 722 L HA 0.177 4.118 4.340 -0.664 0.000 0.275 722 L C 0.007 176.905 176.870 0.048 0.000 1.137 722 L CA 0.259 55.114 54.840 0.025 0.000 0.915 722 L CB -0.504 41.574 42.059 0.031 0.000 1.232 722 L HN 0.666 nan 8.230 nan 0.000 0.473 723 T N 4.517 119.101 114.554 0.050 0.000 2.824 723 T HA 0.524 4.476 4.350 -0.664 0.000 0.282 723 T C -0.079 174.686 174.700 0.109 0.000 0.993 723 T CA -0.551 61.601 62.100 0.087 0.000 0.967 723 T CB 1.728 70.656 68.868 0.100 0.000 0.960 723 T HN 0.285 nan 8.240 nan 0.000 0.441 724 L N 3.353 124.646 121.223 0.116 0.000 2.265 724 L HA 0.503 4.444 4.340 -0.664 0.000 0.289 724 L C -0.786 176.197 176.870 0.189 0.000 1.033 724 L CA -0.693 54.234 54.840 0.145 0.000 0.814 724 L CB 0.645 42.761 42.059 0.094 0.000 1.203 724 L HN 0.635 nan 8.230 nan 0.000 0.423 725 F N 3.557 123.543 119.950 0.060 0.000 2.310 725 F HA 0.503 4.632 4.527 -0.664 0.000 0.365 725 F C 0.755 176.604 175.800 0.082 0.000 1.080 725 F CA -0.742 57.291 58.000 0.056 0.000 1.187 725 F CB 0.770 39.784 39.000 0.023 0.000 1.465 725 F HN 0.523 nan 8.300 nan 0.000 0.496 726 A N 3.590 126.410 122.820 0.001 0.000 2.548 726 A HA 0.453 4.375 4.320 -0.664 0.000 0.247 726 A C 0.337 177.912 177.584 -0.014 0.000 1.067 726 A CA 0.661 52.714 52.037 0.026 0.000 0.757 726 A CB 0.135 19.132 19.000 -0.005 0.000 0.996 726 A HN 0.638 nan 8.150 nan 0.000 0.504 727 T N -0.025 114.617 114.554 0.147 0.000 2.816 727 T HA 0.516 4.468 4.350 -0.664 0.000 0.299 727 T C 0.640 175.471 174.700 0.219 0.000 1.230 727 T CA -0.085 62.139 62.100 0.207 0.000 1.007 727 T CB 0.838 69.927 68.868 0.367 0.000 1.289 727 T HN 0.858 nan 8.240 nan 0.000 0.508 728 H N 0.458 119.488 119.070 -0.066 0.000 2.639 728 H HA 0.221 4.379 4.556 -0.664 0.000 0.267 728 H C -0.305 175.029 175.328 0.011 0.000 0.958 728 H CA -0.042 55.962 56.048 -0.072 0.000 1.221 728 H CB -0.564 29.088 29.762 -0.183 0.000 1.446 728 H HN 0.439 nan 8.280 nan 0.000 0.512 729 Y N 1.459 121.614 120.300 -0.241 0.000 2.677 729 Y HA -0.008 4.144 4.550 -0.664 0.000 0.335 729 Y C 1.218 177.187 175.900 0.115 0.000 1.162 729 Y CA -0.334 57.702 58.100 -0.106 0.000 1.483 729 Y CB -0.059 38.354 38.460 -0.079 0.000 1.209 729 Y HN 0.048 nan 8.280 nan 0.000 0.528 730 F N 2.257 122.294 119.950 0.145 0.000 2.259 730 F HA -0.101 4.027 4.527 -0.665 0.000 0.298 730 F C 1.642 177.517 175.800 0.125 0.000 1.088 730 F CA 1.197 59.260 58.000 0.106 0.000 1.358 730 F CB -0.046 38.996 39.000 0.070 0.000 1.040 730 F HN 0.521 nan 8.300 nan 0.000 0.505 731 E N 0.495 120.773 120.200 0.132 0.000 2.187 731 E HA -0.243 3.709 4.350 -0.664 0.000 0.199 731 E C 2.267 178.946 176.600 0.133 0.000 1.004 731 E CA 1.370 57.828 56.400 0.098 0.000 0.813 731 E CB -0.544 29.259 29.700 0.171 0.000 0.736 731 E HN 0.415 nan 8.360 nan 0.000 0.468 732 L N 0.877 122.160 121.223 0.100 0.000 2.362 732 L HA -0.111 3.831 4.340 -0.664 0.000 0.219 732 L C 2.099 178.831 176.870 -0.229 0.000 1.134 732 L CA 1.562 56.351 54.840 -0.085 0.000 0.807 732 L CB -0.776 41.293 42.059 0.017 0.000 0.927 732 L HN 0.394 nan 8.230 nan 0.000 0.447 733 T N -4.426 109.980 114.554 -0.248 0.000 3.085 733 T HA -0.105 3.846 4.350 -0.664 0.000 0.263 733 T C 1.611 176.157 174.700 -0.256 0.000 1.127 733 T CA 0.221 62.151 62.100 -0.282 0.000 1.103 733 T CB -0.017 68.593 68.868 -0.430 0.000 0.921 733 T HN 0.256 nan 8.240 nan 0.000 0.510 734 Q N 0.762 120.432 119.800 -0.217 0.000 2.369 734 Q HA 0.216 4.158 4.340 -0.664 0.000 0.206 734 Q C 2.248 178.161 176.000 -0.145 0.000 0.963 734 Q CA 0.328 56.063 55.803 -0.113 0.000 0.894 734 Q CB -0.641 28.116 28.738 0.033 0.000 0.965 734 Q HN 0.508 nan 8.270 nan 0.000 0.475 735 L N 0.934 121.968 121.223 -0.316 0.000 1.997 735 L HA -0.228 3.714 4.340 -0.664 0.000 0.216 735 L C -0.542 176.193 176.870 -0.225 0.000 1.074 735 L CA 1.839 56.437 54.840 -0.404 0.000 0.763 735 L CB -1.671 40.045 42.059 -0.572 0.000 0.890 735 L HN 0.156 nan 8.230 nan 0.000 0.434 736 P HA -0.227 nan 4.420 nan 0.000 0.218 736 P C 1.115 178.369 177.300 -0.077 0.000 1.152 736 P CA 1.602 64.637 63.100 -0.108 0.000 0.857 736 P CB -0.003 31.648 31.700 -0.081 0.000 0.787 737 E N -0.342 119.818 120.200 -0.066 0.000 2.046 737 E HA -0.122 3.829 4.350 -0.664 0.000 0.190 737 E C 1.657 178.238 176.600 -0.030 0.000 0.982 737 E CA 0.940 57.317 56.400 -0.038 0.000 0.800 737 E CB -0.412 29.274 29.700 -0.023 0.000 0.756 737 E HN 0.312 nan 8.360 nan 0.000 0.449 738 K N 0.479 120.862 120.400 -0.029 0.000 2.555 738 K HA 0.039 3.960 4.320 -0.664 0.000 0.193 738 K C 0.351 176.933 176.600 -0.029 0.000 1.032 738 K CA 0.461 56.748 56.287 -0.000 0.000 1.004 738 K CB -0.201 32.343 32.500 0.075 0.000 0.804 738 K HN 0.255 nan 8.250 nan 0.000 0.496 739 M N -1.627 117.936 119.600 -0.063 0.000 2.484 739 M HA 0.267 4.348 4.480 -0.664 0.000 0.292 739 M C -1.134 175.123 176.300 -0.071 0.000 1.123 739 M CA -0.857 54.403 55.300 -0.067 0.000 0.910 739 M CB 1.680 34.226 32.600 -0.090 0.000 1.782 739 M HN -0.298 nan 8.290 nan 0.000 0.512 740 E N 1.164 121.330 120.200 -0.055 0.000 2.404 740 E HA 0.393 4.345 4.350 -0.664 0.000 0.261 740 E C 1.057 177.623 176.600 -0.057 0.000 1.074 740 E CA 1.818 58.190 56.400 -0.048 0.000 0.917 740 E CB 1.126 30.804 29.700 -0.036 0.000 0.965 740 E HN 1.033 nan 8.360 nan 0.000 0.433 741 G N 2.190 110.961 108.800 -0.048 0.000 2.162 741 G HA2 -0.233 3.329 3.960 -0.664 0.000 0.260 741 G HA3 -0.233 3.329 3.960 -0.664 0.000 0.260 741 G C 0.017 174.884 174.900 -0.055 0.000 0.976 741 G CA 0.388 45.461 45.100 -0.045 0.000 0.655 741 G HN 0.394 nan 8.290 nan 0.000 0.533 742 V N 0.226 120.098 119.914 -0.070 0.000 2.630 742 V HA 0.905 4.627 4.120 -0.664 0.000 0.305 742 V C 0.532 176.592 176.094 -0.056 0.000 1.046 742 V CA -0.002 62.249 62.300 -0.081 0.000 0.934 742 V CB 1.703 33.443 31.823 -0.138 0.000 1.003 742 V HN 1.330 nan 8.190 nan 0.000 0.451 743 A N 3.271 126.070 122.820 -0.035 0.000 2.515 743 A HA 0.768 4.690 4.320 -0.664 0.000 0.296 743 A C -0.925 176.663 177.584 0.007 0.000 1.094 743 A CA -0.778 51.253 52.037 -0.010 0.000 0.718 743 A CB 1.622 20.628 19.000 0.011 0.000 1.307 743 A HN 0.654 nan 8.150 nan 0.000 0.408 744 N N 0.270 118.983 118.700 0.021 0.000 2.419 744 N HA 0.596 4.938 4.740 -0.664 0.000 0.277 744 N C -0.661 174.907 175.510 0.095 0.000 1.006 744 N CA -0.013 53.069 53.050 0.052 0.000 0.923 744 N CB 1.725 40.235 38.487 0.039 0.000 1.140 744 N HN 0.899 nan 8.380 nan 0.000 0.488 745 V N -0.018 119.967 119.914 0.119 0.000 3.130 745 V HA 0.736 4.458 4.120 -0.664 0.000 0.310 745 V C -0.752 175.450 176.094 0.180 0.000 1.158 745 V CA -0.773 61.594 62.300 0.110 0.000 1.029 745 V CB 2.508 34.348 31.823 0.030 0.000 1.057 745 V HN 0.851 nan 8.190 nan 0.000 0.436 746 H N 1.144 120.215 119.070 0.001 0.000 3.017 746 H HA 0.668 4.826 4.556 -0.663 0.000 0.346 746 H C -2.059 173.259 175.328 -0.017 0.000 1.286 746 H CA -1.080 54.980 56.048 0.021 0.000 1.120 746 H CB 1.795 31.603 29.762 0.077 0.000 1.860 746 H HN 0.757 nan 8.280 nan 0.000 0.542 747 L N 1.864 123.144 121.223 0.095 0.000 2.343 747 L HA 0.323 4.265 4.340 -0.664 0.000 0.275 747 L C -0.131 176.875 176.870 0.227 0.000 1.056 747 L CA -0.606 54.263 54.840 0.049 0.000 0.804 747 L CB 1.429 43.522 42.059 0.056 0.000 1.203 747 L HN 0.728 nan 8.230 nan 0.000 0.440 748 D N 1.171 121.654 120.400 0.138 0.000 2.687 748 D HA 0.808 5.050 4.640 -0.664 0.000 0.264 748 D C -1.147 175.138 176.300 -0.026 0.000 1.091 748 D CA -0.777 53.327 54.000 0.173 0.000 1.123 748 D CB 1.928 42.859 40.800 0.219 0.000 1.407 748 D HN 0.574 nan 8.370 nan 0.000 0.591 749 A N -0.458 122.255 122.820 -0.178 0.000 2.486 749 A HA 0.565 4.486 4.320 -0.664 0.000 0.300 749 A C -1.718 175.712 177.584 -0.256 0.000 1.048 749 A CA -0.726 51.051 52.037 -0.433 0.000 0.696 749 A CB 1.283 19.572 19.000 -1.185 0.000 1.278 749 A HN 0.421 nan 8.150 nan 0.000 0.405 750 L N 1.076 122.185 121.223 -0.191 0.000 2.334 750 L HA 0.469 4.411 4.340 -0.664 0.000 0.277 750 L C 0.049 176.880 176.870 -0.065 0.000 1.075 750 L CA 0.262 55.058 54.840 -0.073 0.000 0.804 750 L CB 1.163 43.208 42.059 -0.024 0.000 1.174 750 L HN 0.723 nan 8.230 nan 0.000 0.438 751 E N 3.329 123.521 120.200 -0.014 0.000 2.092 751 E HA 0.325 4.277 4.350 -0.664 0.000 0.271 751 E C -1.289 175.341 176.600 0.051 0.000 0.919 751 E CA -0.370 56.011 56.400 -0.032 0.000 0.760 751 E CB 0.841 30.526 29.700 -0.025 0.000 1.106 751 E HN 0.690 nan 8.360 nan 0.000 0.408 752 H N 0.507 119.537 119.070 -0.067 0.000 2.834 752 H HA 0.682 4.840 4.556 -0.664 0.000 0.369 752 H C 0.981 176.288 175.328 -0.035 0.000 1.174 752 H CA -0.457 55.564 56.048 -0.045 0.000 1.165 752 H CB 1.406 31.141 29.762 -0.045 0.000 1.820 752 H HN 0.517 nan 8.280 nan 0.000 0.558 753 G N 1.017 109.836 108.800 0.033 0.000 2.692 753 G HA2 -0.406 3.156 3.960 -0.664 0.000 0.339 753 G HA3 -0.406 3.156 3.960 -0.664 0.000 0.339 753 G C 0.368 175.225 174.900 -0.071 0.000 1.226 753 G CA 1.063 46.154 45.100 -0.014 0.000 0.979 753 G HN 0.804 nan 8.290 nan 0.000 0.549 754 D N 0.892 121.226 120.400 -0.111 0.000 2.503 754 D HA 0.283 4.524 4.640 -0.664 0.000 0.218 754 D C 1.349 177.571 176.300 -0.129 0.000 1.183 754 D CA 1.133 55.077 54.000 -0.093 0.000 0.827 754 D CB 0.879 41.647 40.800 -0.053 0.000 1.034 754 D HN 0.766 nan 8.370 nan 0.000 0.510 755 T N -1.904 112.505 114.554 -0.241 0.000 2.573 755 T HA 0.665 4.617 4.350 -0.664 0.000 0.259 755 T C -0.749 173.754 174.700 -0.328 0.000 0.886 755 T CA -0.750 61.207 62.100 -0.238 0.000 1.110 755 T CB 2.058 70.801 68.868 -0.209 0.000 1.421 755 T HN -0.024 nan 8.240 nan 0.000 0.523 756 I N 0.147 120.544 120.570 -0.289 0.000 2.649 756 I HA 0.641 4.413 4.170 -0.664 0.000 0.289 756 I C -1.064 174.878 176.117 -0.292 0.000 1.222 756 I CA -1.177 59.918 61.300 -0.342 0.000 1.046 756 I CB 1.702 39.458 38.000 -0.407 0.000 1.272 756 I HN 0.980 nan 8.210 nan 0.000 0.425 757 A N 7.500 130.206 122.820 -0.189 0.000 2.807 757 A HA 0.432 4.354 4.320 -0.664 0.000 0.307 757 A C -0.696 176.749 177.584 -0.231 0.000 1.532 757 A CA -0.209 51.788 52.037 -0.067 0.000 1.215 757 A CB -0.783 18.263 19.000 0.076 0.000 1.127 757 A HN 0.561 nan 8.150 nan 0.000 0.543 758 F N 3.116 123.003 119.950 -0.106 0.000 2.557 758 F HA 0.081 4.209 4.527 -0.665 0.000 0.384 758 F C 1.167 176.923 175.800 -0.073 0.000 1.057 758 F CA 0.273 58.198 58.000 -0.126 0.000 1.169 758 F CB 0.286 39.225 39.000 -0.103 0.000 1.070 758 F HN 0.450 nan 8.300 nan 0.000 0.554 759 M N 2.701 122.343 119.600 0.070 0.000 1.791 759 M HA 0.108 4.189 4.480 -0.664 0.000 0.161 759 M C 1.048 177.433 176.300 0.141 0.000 1.144 759 M CA 0.308 55.631 55.300 0.039 0.000 0.949 759 M CB -0.048 32.546 32.600 -0.010 0.000 1.011 759 M HN 0.606 nan 8.290 nan 0.000 0.508 760 H N -1.605 117.404 119.070 -0.102 0.000 3.233 760 H HA 0.215 4.371 4.556 -0.667 0.000 0.252 760 H C -0.648 174.581 175.328 -0.166 0.000 1.175 760 H CA -0.069 55.888 56.048 -0.151 0.000 1.018 760 H CB 0.926 30.530 29.762 -0.262 0.000 2.006 760 H HN 0.511 nan 8.280 nan 0.000 0.714 761 S N 1.524 117.185 115.700 -0.065 0.000 2.498 761 S HA 0.373 4.445 4.470 -0.664 0.000 0.317 761 S C -0.283 174.197 174.600 -0.199 0.000 1.090 761 S CA -0.496 57.633 58.200 -0.119 0.000 1.089 761 S CB 0.981 64.131 63.200 -0.083 0.000 0.997 761 S HN 0.100 nan 8.310 nan 0.000 0.470 762 V N 6.720 126.468 119.914 -0.276 0.000 2.498 762 V HA 0.441 4.163 4.120 -0.664 0.000 0.279 762 V C 0.088 176.013 176.094 -0.283 0.000 1.048 762 V CA -0.365 61.713 62.300 -0.371 0.000 0.967 762 V CB 1.041 32.488 31.823 -0.625 0.000 0.988 762 V HN 0.880 nan 8.190 nan 0.000 0.473 763 Q N 2.380 121.964 119.800 -0.361 0.000 2.451 763 Q HA 0.516 4.457 4.340 -0.664 0.000 0.281 763 Q C -1.459 174.422 176.000 -0.197 0.000 1.099 763 Q CA -1.094 54.541 55.803 -0.279 0.000 0.806 763 Q CB 2.065 30.617 28.738 -0.310 0.000 1.419 763 Q HN 0.565 nan 8.270 nan 0.000 0.427 764 D N 0.526 120.898 120.400 -0.047 0.000 2.400 764 D HA 0.377 4.618 4.640 -0.664 0.000 0.238 764 D C 0.818 177.222 176.300 0.173 0.000 1.157 764 D CA 1.556 55.584 54.000 0.047 0.000 0.889 764 D CB 0.606 41.432 40.800 0.044 0.000 1.199 764 D HN 0.813 nan 8.370 nan 0.000 0.436 765 G N -0.352 108.557 108.800 0.182 0.000 2.728 765 G HA2 0.230 3.792 3.960 -0.664 0.000 0.294 765 G HA3 0.230 3.792 3.960 -0.664 0.000 0.294 765 G C -0.449 174.606 174.900 0.258 0.000 1.342 765 G CA -0.296 44.920 45.100 0.192 0.000 0.866 765 G HN 0.736 nan 8.290 nan 0.000 0.534 766 A N -0.356 122.520 122.820 0.093 0.000 2.271 766 A HA 0.967 4.888 4.320 -0.664 0.000 0.288 766 A C 0.922 178.317 177.584 -0.315 0.000 1.094 766 A CA 0.947 53.016 52.037 0.053 0.000 0.828 766 A CB 0.777 19.880 19.000 0.172 0.000 1.091 766 A HN 2.585 nan 8.150 nan 0.000 0.493 767 A N 0.745 123.447 122.820 -0.197 0.000 2.409 767 A HA 0.478 4.400 4.320 -0.664 0.000 0.267 767 A C 1.000 178.462 177.584 -0.203 0.000 1.127 767 A CA 0.257 52.098 52.037 -0.327 0.000 0.795 767 A CB -0.207 18.791 19.000 -0.004 0.000 1.061 767 A HN 1.628 nan 8.150 nan 0.000 0.502 768 S N 1.580 117.133 115.700 -0.246 0.000 2.582 768 S HA 0.282 4.354 4.470 -0.664 0.000 0.234 768 S C 0.276 174.710 174.600 -0.277 0.000 0.961 768 S CA -0.275 57.773 58.200 -0.253 0.000 0.953 768 S CB -0.233 62.884 63.200 -0.139 0.000 0.800 768 S HN 0.673 nan 8.310 nan 0.000 0.471 769 K N 1.031 121.268 120.400 -0.272 0.000 2.512 769 K HA 0.586 4.507 4.320 -0.664 0.000 0.263 769 K C -1.096 175.211 176.600 -0.489 0.000 0.966 769 K CA -0.613 55.443 56.287 -0.385 0.000 0.851 769 K CB 2.132 34.393 32.500 -0.398 0.000 1.395 769 K HN 0.237 nan 8.250 nan 0.000 0.440 770 S N -0.056 115.267 115.700 -0.628 0.000 2.600 770 S HA 0.550 4.621 4.470 -0.664 0.000 0.300 770 S C -0.695 173.459 174.600 -0.743 0.000 1.087 770 S CA -0.538 57.370 58.200 -0.486 0.000 0.965 770 S CB 0.695 63.759 63.200 -0.226 0.000 1.089 770 S HN 0.704 nan 8.310 nan 0.000 0.496 771 Y N 0.064 120.413 120.300 0.081 0.000 2.738 771 Y HA 0.391 4.544 4.550 -0.663 0.000 0.249 771 Y C 1.888 177.860 175.900 0.119 0.000 1.157 771 Y CA -0.491 57.676 58.100 0.112 0.000 1.189 771 Y CB 0.233 38.822 38.460 0.215 0.000 1.262 771 Y HN 0.820 nan 8.280 nan 0.000 0.554 772 G N 0.606 109.498 108.800 0.153 0.000 2.402 772 G HA2 -0.142 3.420 3.960 -0.664 0.000 0.216 772 G HA3 -0.142 3.420 3.960 -0.664 0.000 0.216 772 G C 1.477 176.427 174.900 0.085 0.000 1.162 772 G CA 0.793 45.959 45.100 0.111 0.000 0.777 772 G HN 0.326 nan 8.290 nan 0.000 0.539 773 L N 0.629 121.885 121.223 0.056 0.000 2.109 773 L HA 0.020 3.962 4.340 -0.664 0.000 0.207 773 L C 3.384 180.289 176.870 0.057 0.000 1.086 773 L CA 0.824 55.687 54.840 0.038 0.000 0.760 773 L CB -0.551 41.514 42.059 0.009 0.000 0.910 773 L HN 0.288 nan 8.230 nan 0.000 0.437 774 A N 0.033 122.908 122.820 0.091 0.000 1.948 774 A HA -0.163 3.758 4.320 -0.664 0.000 0.220 774 A C 2.302 179.953 177.584 0.111 0.000 1.177 774 A CA 2.117 54.222 52.037 0.114 0.000 0.636 774 A CB -0.686 18.443 19.000 0.215 0.000 0.815 774 A HN 0.239 nan 8.150 nan 0.000 0.449 775 V N -0.913 119.087 119.914 0.144 0.000 2.599 775 V HA -0.028 3.694 4.120 -0.664 0.000 0.245 775 V C 2.955 179.093 176.094 0.074 0.000 1.046 775 V CA 1.227 63.605 62.300 0.130 0.000 1.065 775 V CB -0.983 30.934 31.823 0.158 0.000 0.703 775 V HN 0.596 nan 8.190 nan 0.000 0.464 776 A N 0.610 123.466 122.820 0.061 0.000 1.927 776 A HA -0.256 3.666 4.320 -0.664 0.000 0.220 776 A C 2.402 180.004 177.584 0.029 0.000 1.185 776 A CA 2.559 54.618 52.037 0.037 0.000 0.639 776 A CB -0.793 18.225 19.000 0.030 0.000 0.820 776 A HN 0.578 nan 8.150 nan 0.000 0.451 777 A N -0.208 122.631 122.820 0.032 0.000 1.855 777 A HA -0.013 3.909 4.320 -0.664 0.000 0.215 777 A C 2.068 179.662 177.584 0.017 0.000 1.191 777 A CA 1.461 53.510 52.037 0.020 0.000 0.613 777 A CB -0.696 18.315 19.000 0.018 0.000 0.829 777 A HN 0.506 nan 8.150 nan 0.000 0.442 778 L N -0.888 120.349 121.223 0.023 0.000 2.450 778 L HA -0.103 3.839 4.340 -0.664 0.000 0.224 778 L C 2.506 179.386 176.870 0.016 0.000 1.149 778 L CA 0.769 55.618 54.840 0.015 0.000 0.816 778 L CB -0.468 41.602 42.059 0.019 0.000 0.932 778 L HN 0.450 nan 8.230 nan 0.000 0.449 779 A N -0.490 122.343 122.820 0.020 0.000 2.267 779 A HA 0.424 4.346 4.320 -0.664 0.000 0.213 779 A C 1.649 179.239 177.584 0.011 0.000 1.192 779 A CA 0.656 52.703 52.037 0.016 0.000 0.851 779 A CB 0.091 19.104 19.000 0.020 0.000 0.881 779 A HN 0.463 nan 8.150 nan 0.000 0.494 780 G N -1.382 107.423 108.800 0.009 0.000 2.154 780 G HA2 -0.143 3.418 3.960 -0.664 0.000 0.186 780 G HA3 -0.143 3.418 3.960 -0.664 0.000 0.186 780 G C 0.040 174.944 174.900 0.006 0.000 1.000 780 G CA -0.095 45.008 45.100 0.006 0.000 0.664 780 G HN 0.689 nan 8.290 nan 0.000 0.513 781 V N 1.840 121.758 119.914 0.008 0.000 2.555 781 V HA 0.344 4.066 4.120 -0.664 0.000 0.286 781 V C -1.205 174.892 176.094 0.005 0.000 1.044 781 V CA -1.147 61.157 62.300 0.007 0.000 1.026 781 V CB 0.947 32.775 31.823 0.009 0.000 0.981 781 V HN 0.164 nan 8.190 nan 0.000 0.480 782 P HA -0.033 nan 4.420 nan 0.000 0.259 782 P C 0.844 178.146 177.300 0.002 0.000 1.163 782 P CA 0.297 63.398 63.100 0.002 0.000 0.760 782 P CB 0.389 32.090 31.700 0.001 0.000 0.762 783 K N 2.728 123.129 120.400 0.001 0.000 2.127 783 K HA -0.302 3.619 4.320 -0.664 0.000 0.212 783 K C 1.744 178.344 176.600 -0.000 0.000 1.050 783 K CA 1.928 58.215 56.287 0.001 0.000 0.929 783 K CB -0.049 32.451 32.500 -0.000 0.000 0.715 783 K HN 0.398 nan 8.250 nan 0.000 0.457 784 E N -0.024 120.176 120.200 -0.000 0.000 2.107 784 E HA -0.102 3.849 4.350 -0.664 0.000 0.191 784 E C 1.662 178.261 176.600 -0.001 0.000 0.982 784 E CA 1.066 57.465 56.400 -0.001 0.000 0.809 784 E CB 0.012 29.711 29.700 -0.001 0.000 0.756 784 E HN 0.113 nan 8.360 nan 0.000 0.459 785 V N 0.530 120.444 119.914 0.000 0.000 2.307 785 V HA -0.206 3.516 4.120 -0.664 0.000 0.245 785 V C 2.434 178.529 176.094 0.001 0.000 1.045 785 V CA 1.712 64.013 62.300 0.000 0.000 1.024 785 V CB -0.430 31.393 31.823 0.001 0.000 0.651 785 V HN 0.275 nan 8.190 nan 0.000 0.449 786 I N 0.219 120.790 120.570 0.002 0.000 2.264 786 I HA -0.290 3.481 4.170 -0.664 0.000 0.248 786 I C 2.560 178.676 176.117 -0.001 0.000 1.111 786 I CA 1.977 63.279 61.300 0.002 0.000 1.382 786 I CB -0.240 37.762 38.000 0.004 0.000 1.060 786 I HN 0.315 nan 8.210 nan 0.000 0.418 787 K N 0.420 120.819 120.400 -0.002 0.000 2.217 787 K HA -0.168 3.753 4.320 -0.664 0.000 0.202 787 K C 2.244 178.841 176.600 -0.005 0.000 1.051 787 K CA 1.032 57.316 56.287 -0.004 0.000 0.952 787 K CB 0.053 32.551 32.500 -0.004 0.000 0.736 787 K HN 0.024 nan 8.250 nan 0.000 0.453 788 R N 0.351 120.849 120.500 -0.003 0.000 2.119 788 R HA 0.130 4.072 4.340 -0.664 0.000 0.222 788 R C 2.024 178.321 176.300 -0.004 0.000 1.088 788 R CA 1.275 57.373 56.100 -0.003 0.000 0.984 788 R CB -0.287 30.012 30.300 -0.003 0.000 0.884 788 R HN 0.348 nan 8.270 nan 0.000 0.447 789 A N -0.022 122.797 122.820 -0.003 0.000 1.968 789 A HA -0.102 3.819 4.320 -0.664 0.000 0.217 789 A C 2.041 179.622 177.584 -0.006 0.000 1.169 789 A CA 1.332 53.367 52.037 -0.003 0.000 0.638 789 A CB -0.319 18.681 19.000 0.000 0.000 0.812 789 A HN 0.172 nan 8.150 nan 0.000 0.446 790 R N 0.016 120.511 120.500 -0.008 0.000 2.115 790 R HA -0.084 3.857 4.340 -0.664 0.000 0.230 790 R C 2.170 178.462 176.300 -0.014 0.000 1.111 790 R CA 1.936 58.028 56.100 -0.014 0.000 0.976 790 R CB -0.578 29.713 30.300 -0.015 0.000 0.870 790 R HN 0.689 nan 8.270 nan 0.000 0.445 791 Q N -0.134 119.661 119.800 -0.010 0.000 2.016 791 Q HA -0.165 3.777 4.340 -0.664 0.000 0.200 791 Q C 1.568 177.564 176.000 -0.007 0.000 0.978 791 Q CA 1.593 57.391 55.803 -0.008 0.000 0.833 791 Q CB -0.091 28.643 28.738 -0.006 0.000 0.895 791 Q HN 0.011 nan 8.270 nan 0.000 0.427 792 K N 0.493 120.889 120.400 -0.006 0.000 2.113 792 K HA -0.179 3.742 4.320 -0.664 0.000 0.208 792 K C 1.869 178.467 176.600 -0.003 0.000 1.047 792 K CA 1.017 57.301 56.287 -0.004 0.000 0.928 792 K CB -0.667 31.831 32.500 -0.003 0.000 0.716 792 K HN 0.236 nan 8.250 nan 0.000 0.446 793 L N 1.035 122.254 121.223 -0.007 0.000 1.976 793 L HA -0.081 3.860 4.340 -0.664 0.000 0.209 793 L C 2.318 179.181 176.870 -0.011 0.000 1.071 793 L CA 1.927 56.761 54.840 -0.009 0.000 0.746 793 L CB -0.711 41.335 42.059 -0.021 0.000 0.890 793 L HN 0.224 nan 8.230 nan 0.000 0.432 794 R N -0.439 120.052 120.500 -0.015 0.000 2.193 794 R HA -0.211 3.731 4.340 -0.664 0.000 0.229 794 R C 2.118 178.416 176.300 -0.004 0.000 1.110 794 R CA 1.574 57.665 56.100 -0.015 0.000 0.988 794 R CB -0.144 30.145 30.300 -0.017 0.000 0.871 794 R HN 0.762 nan 8.270 nan 0.000 0.458 795 E N -0.006 120.194 120.200 -0.000 0.000 2.140 795 E HA -0.106 3.846 4.350 -0.664 0.000 0.191 795 E C 1.869 178.477 176.600 0.013 0.000 0.973 795 E CA 0.445 56.848 56.400 0.005 0.000 0.829 795 E CB -0.175 29.526 29.700 0.002 0.000 0.781 795 E HN 0.356 nan 8.360 nan 0.000 0.466 796 L N 0.843 122.075 121.223 0.015 0.000 2.072 796 L HA -0.087 3.855 4.340 -0.664 0.000 0.205 796 L C 2.444 179.341 176.870 0.045 0.000 1.079 796 L CA 1.492 56.348 54.840 0.028 0.000 0.752 796 L CB -0.280 41.794 42.059 0.026 0.000 0.906 796 L HN 0.181 nan 8.230 nan 0.000 0.436 797 E N -0.001 120.221 120.200 0.037 0.000 2.047 797 E HA -0.177 3.775 4.350 -0.664 0.000 0.191 797 E C 2.276 178.907 176.600 0.052 0.000 0.987 797 E CA 1.441 57.871 56.400 0.050 0.000 0.799 797 E CB -0.124 29.587 29.700 0.018 0.000 0.752 797 E HN 0.488 nan 8.360 nan 0.000 0.449 798 S N 1.310 117.030 115.700 0.032 0.000 2.407 798 S HA -0.213 3.859 4.470 -0.664 0.000 0.235 798 S C 1.969 176.591 174.600 0.037 0.000 1.036 798 S CA 1.001 59.219 58.200 0.030 0.000 1.013 798 S CB -0.536 62.675 63.200 0.017 0.000 0.820 798 S HN 0.211 nan 8.310 nan 0.000 0.476 799 I N 1.153 121.748 120.570 0.042 0.000 2.830 799 I HA -0.009 3.763 4.170 -0.664 0.000 0.263 799 I C 1.644 177.791 176.117 0.050 0.000 1.230 799 I CA 0.505 61.830 61.300 0.043 0.000 1.480 799 I CB -0.141 37.887 38.000 0.047 0.000 1.095 799 I HN 0.395 nan 8.210 nan 0.000 0.455 800 S N 0.000 115.739 115.700 0.066 0.000 2.498 800 S HA 0.000 4.072 4.470 -0.664 0.000 0.327 800 S CA 0.000 58.242 58.200 0.069 0.000 1.107 800 S CB 0.000 63.262 63.200 0.103 0.000 0.593 800 S HN 0.000 nan 8.310 nan 0.000 0.517