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 3n2o_1_B DATA FIRST_RESID 11 DATA SEQUENCE LDRVRADYNV HYWSQGFYGI DDQGEMYVSP RSDNAHQIQL SKIVKQLEER DATA SEQUENCE QLNVPVLVRF PQILHQRVHS ICDAFNQAIE EYQYPNKYLL VYPIKVNQQR DATA SEQUENCE EVVDEILASQ AQLETKQLGL EAGSKPELLA VLAMAQHASS VIVCNGYKDR DATA SEQUENCE EYIRLALIGE KLGHKVFIVL EKMSELDLVL REAKSLGVTP RLGIRIRLAS DATA SEQUENCE QGAGKWQASG GEKSKFGLSA SQVLNVISRL KKENQLDTLQ LVHFHLGSQM DATA SEQUENCE ANIRDVRNGV NESARFYCEL RTLGANITYF DVGGGLAIDY DGTRSQSSNS DATA SEQUENCE MNYGLVEYAR NIVNTVGDVC KDYKQPMPVI ISESGRSLTA HHAVLISNVI DATA SEQUENCE GTETYKPETV TEPEEDFPLL LNNMWRSWLN LHNGTDARAL IEIYNDTQSD DATA SEQUENCE LAEVHSQFAT GVLTLEHRAW AEQTSLRIYY ELNRLMSTKN RFHRPILDEL DATA SEQUENCE SERLADKFFV NFSLFQSLPD SWGIDQVFPV LPLSGLQNAA DRRAVMLDIT DATA SEQUENCE CDSDGAIDAY VDGQGIESTL PVPAWNEDEP YLMGFFLVGA YQEILGDMHN DATA SEQUENCE LFGDTHSVVV NVGDQGEINI DFINEGDTVE DMMRYVHIDV DQIRKNYHSL DATA SEQUENCE VSQRVDQEEQ QQILAELEQG LSGYTYLED 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 11 L HA 0.000 nan 4.340 nan 0.000 0.249 11 L C 0.000 176.867 176.870 -0.004 0.000 1.165 11 L CA 0.000 54.838 54.840 -0.003 0.000 0.813 11 L CB 0.000 42.060 42.059 0.002 0.000 0.961 12 D N 0.012 120.407 120.400 -0.008 0.000 2.440 12 D HA 0.097 4.742 4.640 0.008 0.000 0.216 12 D C 1.710 177.998 176.300 -0.019 0.000 1.150 12 D CA -0.075 53.920 54.000 -0.009 0.000 0.832 12 D CB 0.518 41.313 40.800 -0.008 0.000 0.992 12 D HN 0.465 nan 8.370 nan 0.000 0.502 13 R N -0.169 120.315 120.500 -0.027 0.000 2.293 13 R HA -0.029 4.316 4.340 0.008 0.000 0.219 13 R C 1.510 177.767 176.300 -0.071 0.000 1.091 13 R CA 0.697 56.772 56.100 -0.042 0.000 1.004 13 R CB -0.852 29.423 30.300 -0.040 0.000 0.865 13 R HN -0.053 nan 8.270 nan 0.000 0.469 14 V N 1.102 120.979 119.914 -0.062 0.000 2.270 14 V HA -0.143 3.982 4.120 0.008 0.000 0.245 14 V C 2.527 178.582 176.094 -0.065 0.000 1.043 14 V CA 1.942 64.184 62.300 -0.097 0.000 1.014 14 V CB -0.510 31.299 31.823 -0.023 0.000 0.645 14 V HN 0.338 nan 8.190 nan 0.000 0.447 15 R N -0.164 120.341 120.500 0.009 0.000 2.117 15 R HA -0.187 4.158 4.340 0.008 0.000 0.243 15 R C 2.263 178.565 176.300 0.005 0.000 1.143 15 R CA 1.615 57.739 56.100 0.039 0.000 0.968 15 R CB -0.481 29.832 30.300 0.022 0.000 0.863 15 R HN 0.554 nan 8.270 nan 0.000 0.444 16 A N 0.462 123.265 122.820 -0.029 0.000 2.067 16 A HA -0.117 4.208 4.320 0.008 0.000 0.217 16 A C 1.372 178.915 177.584 -0.069 0.000 1.156 16 A CA 1.314 53.327 52.037 -0.040 0.000 0.683 16 A CB -0.101 18.884 19.000 -0.024 0.000 0.808 16 A HN 0.164 nan 8.150 nan 0.000 0.455 17 D N -1.711 118.608 120.400 -0.135 0.000 2.178 17 D HA -0.097 4.547 4.640 0.008 0.000 0.202 17 D C 1.282 177.478 176.300 -0.174 0.000 0.974 17 D CA 1.317 55.188 54.000 -0.215 0.000 0.841 17 D CB -0.125 40.437 40.800 -0.396 0.000 0.953 17 D HN 0.551 nan 8.370 nan 0.000 0.478 18 Y N 0.024 120.310 120.300 -0.024 0.000 2.479 18 Y HA 0.192 4.747 4.550 0.008 0.000 0.283 18 Y C 0.441 176.301 175.900 -0.067 0.000 1.109 18 Y CA 0.036 58.131 58.100 -0.009 0.000 1.239 18 Y CB -0.543 37.914 38.460 -0.004 0.000 1.108 18 Y HN -0.140 nan 8.280 nan 0.000 0.548 19 N N -0.269 118.401 118.700 -0.050 0.000 2.686 19 N HA -0.205 4.540 4.740 0.008 0.000 0.261 19 N C 0.744 175.883 175.510 -0.618 0.000 1.001 19 N CA 0.147 52.906 53.050 -0.485 0.000 0.764 19 N CB -0.727 37.286 38.487 -0.791 0.000 0.898 19 N HN 0.018 nan 8.380 nan 0.000 0.544 20 V N 0.560 120.238 119.914 -0.394 0.000 2.332 20 V HA -0.330 3.795 4.120 0.008 0.000 0.248 20 V C 2.415 177.909 176.094 -0.999 0.000 1.055 20 V CA 2.301 64.177 62.300 -0.705 0.000 1.038 20 V CB -0.575 30.920 31.823 -0.547 0.000 0.651 20 V HN 0.760 nan 8.190 nan 0.000 0.450 21 H N -1.431 117.276 119.070 -0.605 0.000 2.518 21 H HA -0.223 4.338 4.556 0.008 0.000 0.294 21 H C 2.055 177.237 175.328 -0.242 0.000 1.083 21 H CA 1.808 57.596 56.048 -0.433 0.000 1.264 21 H CB -0.866 28.724 29.762 -0.287 0.000 1.370 21 H HN 0.484 nan 8.280 nan 0.000 0.560 22 Y N 0.814 120.723 120.300 -0.652 0.000 2.352 22 Y HA -0.147 4.408 4.550 0.008 0.000 0.292 22 Y C 2.380 178.229 175.900 -0.085 0.000 1.136 22 Y CA 0.569 58.487 58.100 -0.304 0.000 1.227 22 Y CB -0.530 37.805 38.460 -0.209 0.000 0.991 22 Y HN 0.574 nan 8.280 nan 0.000 0.545 23 W N -1.772 119.574 121.300 0.077 0.000 2.865 23 W HA 0.267 4.931 4.660 0.007 0.000 0.300 23 W C 1.596 178.244 176.519 0.214 0.000 1.096 23 W CA 0.773 58.178 57.345 0.100 0.000 1.524 23 W CB -0.974 28.517 29.460 0.053 0.000 0.991 23 W HN 0.092 nan 8.180 nan 0.000 0.571 24 S N 1.059 116.557 115.700 -0.336 0.000 2.461 24 S HA -0.156 4.319 4.470 0.008 0.000 0.228 24 S C 1.132 175.717 174.600 -0.025 0.000 1.005 24 S CA 0.847 58.957 58.200 -0.150 0.000 0.942 24 S CB -0.586 62.268 63.200 -0.577 0.000 0.776 24 S HN 0.260 nan 8.310 nan 0.000 0.514 25 Q N -0.085 119.605 119.800 -0.183 0.000 2.481 25 Q HA -0.207 4.137 4.340 0.008 0.000 0.272 25 Q C 1.026 176.589 176.000 -0.728 0.000 1.157 25 Q CA 0.856 56.391 55.803 -0.448 0.000 0.935 25 Q CB -2.450 25.895 28.738 -0.654 0.000 1.338 25 Q HN 1.293 nan 8.270 nan 0.000 0.494 26 G N -1.190 107.337 108.800 -0.455 0.000 2.189 26 G HA2 -0.374 3.591 3.960 0.008 0.000 0.267 26 G HA3 -0.374 3.591 3.960 0.008 0.000 0.267 26 G C 0.387 175.050 174.900 -0.395 0.000 0.975 26 G CA 0.646 45.507 45.100 -0.398 0.000 0.644 26 G HN 0.384 nan 8.290 nan 0.000 0.537 27 F N -0.575 119.224 119.950 -0.252 0.000 2.558 27 F HA 0.382 4.914 4.527 0.008 0.000 0.298 27 F C 1.034 176.327 175.800 -0.845 0.000 1.119 27 F CA 0.024 57.721 58.000 -0.505 0.000 1.451 27 F CB -0.150 38.481 39.000 -0.615 0.000 1.091 27 F HN 0.238 nan 8.300 nan 0.000 0.563 28 Y N -1.004 119.230 120.300 -0.110 0.000 2.492 28 Y HA 0.673 5.228 4.550 0.008 0.000 0.346 28 Y C 0.418 175.889 175.900 -0.715 0.000 0.997 28 Y CA -1.501 56.369 58.100 -0.383 0.000 1.025 28 Y CB 1.800 40.078 38.460 -0.304 0.000 1.263 28 Y HN -0.116 nan 8.280 nan 0.000 0.454 29 G N 1.039 109.178 108.800 -1.102 0.000 2.619 29 G HA2 0.612 4.576 3.960 0.008 0.000 0.305 29 G HA3 0.612 4.576 3.960 0.008 0.000 0.305 29 G C -2.053 172.412 174.900 -0.724 0.000 1.330 29 G CA -0.938 43.659 45.100 -0.838 0.000 0.789 29 G HN 0.463 nan 8.290 nan 0.000 0.487 30 I N 1.908 122.362 120.570 -0.193 0.000 2.321 30 I HA 0.297 4.471 4.170 0.008 0.000 0.291 30 I C -0.262 176.008 176.117 0.254 0.000 0.998 30 I CA -0.688 60.636 61.300 0.039 0.000 1.227 30 I CB 1.659 39.687 38.000 0.047 0.000 1.368 30 I HN 0.643 nan 8.210 nan 0.000 0.466 31 D N 3.869 124.463 120.400 0.324 0.000 2.451 31 D HA 0.070 4.715 4.640 0.008 0.000 0.259 31 D C 0.308 176.670 176.300 0.102 0.000 1.201 31 D CA -0.446 53.681 54.000 0.212 0.000 1.028 31 D CB 0.649 41.539 40.800 0.151 0.000 1.095 31 D HN 0.337 nan 8.370 nan 0.000 0.539 32 D N -1.120 119.311 120.400 0.051 0.000 2.363 32 D HA -0.050 4.595 4.640 0.008 0.000 0.226 32 D C 0.679 176.997 176.300 0.032 0.000 1.020 32 D CA 0.558 54.577 54.000 0.031 0.000 0.892 32 D CB 0.137 40.942 40.800 0.008 0.000 0.900 32 D HN 0.448 nan 8.370 nan 0.000 0.531 33 Q N -1.051 118.775 119.800 0.043 0.000 2.219 33 Q HA 0.279 4.624 4.340 0.008 0.000 0.209 33 Q C 1.019 177.045 176.000 0.044 0.000 0.854 33 Q CA 0.111 55.936 55.803 0.037 0.000 0.960 33 Q CB 1.222 29.981 28.738 0.035 0.000 1.116 33 Q HN 0.181 nan 8.270 nan 0.000 0.500 34 G N 1.086 109.920 108.800 0.057 0.000 2.143 34 G HA2 -0.203 3.762 3.960 0.008 0.000 0.249 34 G HA3 -0.203 3.762 3.960 0.008 0.000 0.249 34 G C -0.194 174.743 174.900 0.062 0.000 0.981 34 G CA -0.104 45.032 45.100 0.059 0.000 0.665 34 G HN 0.191 nan 8.290 nan 0.000 0.528 35 E N 0.251 120.500 120.200 0.081 0.000 2.204 35 E HA 0.505 4.860 4.350 0.008 0.000 0.276 35 E C 0.758 177.429 176.600 0.119 0.000 0.974 35 E CA -0.787 55.667 56.400 0.091 0.000 0.815 35 E CB 0.836 30.596 29.700 0.100 0.000 1.119 35 E HN 0.175 nan 8.360 nan 0.000 0.393 36 M N 2.686 122.343 119.600 0.096 0.000 2.200 36 M HA 0.135 4.619 4.480 0.008 0.000 0.355 36 M C -0.353 176.038 176.300 0.152 0.000 1.283 36 M CA -0.179 55.161 55.300 0.068 0.000 1.124 36 M CB -0.435 32.237 32.600 0.121 0.000 1.625 36 M HN 0.422 nan 8.290 nan 0.000 0.463 37 Y N 1.426 121.804 120.300 0.129 0.000 2.587 37 Y HA 0.814 5.369 4.550 0.008 0.000 0.337 37 Y C -0.916 175.076 175.900 0.153 0.000 1.065 37 Y CA -1.568 56.601 58.100 0.116 0.000 1.126 37 Y CB 0.834 39.323 38.460 0.049 0.000 1.279 37 Y HN 0.381 nan 8.280 nan 0.000 0.489 38 V N 1.457 121.538 119.914 0.279 0.000 2.667 38 V HA 0.656 4.781 4.120 0.008 0.000 0.308 38 V C -0.850 175.306 176.094 0.103 0.000 1.048 38 V CA -0.368 61.934 62.300 0.003 0.000 0.928 38 V CB 1.810 33.416 31.823 -0.362 0.000 1.004 38 V HN 0.932 nan 8.190 nan 0.000 0.444 39 S N 6.788 122.487 115.700 -0.001 0.000 2.259 39 S HA 0.554 5.029 4.470 0.008 0.000 0.181 39 S C -2.005 172.603 174.600 0.013 0.000 1.589 39 S CA -0.914 57.315 58.200 0.047 0.000 1.234 39 S CB 1.349 64.624 63.200 0.125 0.000 1.119 39 S HN 0.818 nan 8.310 nan 0.000 0.458 40 P HA 0.138 nan 4.420 nan 0.000 0.245 40 P C -0.040 177.295 177.300 0.058 0.000 1.203 40 P CA -0.084 62.987 63.100 -0.048 0.000 0.792 40 P CB 0.267 31.895 31.700 -0.120 0.000 0.997 41 R N 0.283 120.830 120.500 0.079 0.000 2.490 41 R HA 0.254 4.599 4.340 0.008 0.000 0.278 41 R C 1.576 177.934 176.300 0.096 0.000 1.069 41 R CA -0.090 56.067 56.100 0.095 0.000 1.080 41 R CB 0.290 30.642 30.300 0.088 0.000 1.030 41 R HN -0.007 nan 8.270 nan 0.000 0.491 42 S N 1.211 116.970 115.700 0.098 0.000 2.399 42 S HA -0.191 4.284 4.470 0.008 0.000 0.231 42 S C 1.198 175.817 174.600 0.032 0.000 1.022 42 S CA 1.587 59.832 58.200 0.076 0.000 0.983 42 S CB -0.325 62.910 63.200 0.058 0.000 0.803 42 S HN 0.814 nan 8.310 nan 0.000 0.480 43 D N 1.345 121.758 120.400 0.021 0.000 2.348 43 D HA -0.073 4.572 4.640 0.008 0.000 0.216 43 D C 0.143 176.424 176.300 -0.031 0.000 0.970 43 D CA 0.503 54.498 54.000 -0.009 0.000 0.889 43 D CB -1.207 39.586 40.800 -0.012 0.000 0.912 43 D HN 0.426 nan 8.370 nan 0.000 0.524 44 N N -1.156 117.535 118.700 -0.015 0.000 2.725 44 N HA -0.244 4.501 4.740 0.008 0.000 0.249 44 N C 0.862 176.310 175.510 -0.104 0.000 1.103 44 N CA 0.649 53.674 53.050 -0.041 0.000 0.707 44 N CB -1.227 37.229 38.487 -0.052 0.000 1.043 44 N HN 0.410 nan 8.380 nan 0.000 0.553 45 A N -0.392 122.356 122.820 -0.120 0.000 1.902 45 A HA -0.108 4.217 4.320 0.008 0.000 0.217 45 A C 0.594 177.842 177.584 -0.560 0.000 1.181 45 A CA 1.280 53.122 52.037 -0.325 0.000 0.623 45 A CB -0.000 18.832 19.000 -0.278 0.000 0.818 45 A HN 0.533 nan 8.150 nan 0.000 0.443 46 H N -0.371 118.675 119.070 -0.041 0.000 2.689 46 H HA 0.368 4.929 4.556 0.008 0.000 0.346 46 H C -1.017 174.271 175.328 -0.066 0.000 1.037 46 H CA -0.549 55.468 56.048 -0.052 0.000 1.234 46 H CB 0.995 30.743 29.762 -0.022 0.000 1.572 46 H HN 0.481 nan 8.280 nan 0.000 0.524 47 Q N 2.758 122.540 119.800 -0.029 0.000 2.241 47 Q HA 0.427 4.771 4.340 0.008 0.000 0.254 47 Q C -0.287 175.729 176.000 0.028 0.000 0.917 47 Q CA -0.802 54.949 55.803 -0.086 0.000 0.919 47 Q CB 2.081 30.530 28.738 -0.481 0.000 1.237 47 Q HN 0.346 nan 8.270 nan 0.000 0.434 48 I N 2.432 123.068 120.570 0.109 0.000 2.433 48 I HA 0.181 4.355 4.170 0.008 0.000 0.292 48 I C -0.014 176.215 176.117 0.186 0.000 1.001 48 I CA -0.781 60.594 61.300 0.126 0.000 1.119 48 I CB 1.795 39.870 38.000 0.126 0.000 1.289 48 I HN 0.603 nan 8.210 nan 0.000 0.438 49 Q N 5.134 125.031 119.800 0.162 0.000 2.304 49 Q HA 0.275 4.620 4.340 0.008 0.000 0.260 49 Q C 0.993 177.097 176.000 0.173 0.000 0.965 49 Q CA -0.255 55.656 55.803 0.180 0.000 0.898 49 Q CB 1.688 30.505 28.738 0.132 0.000 1.196 49 Q HN 0.534 nan 8.270 nan 0.000 0.402 50 L N 1.489 122.831 121.223 0.198 0.000 2.093 50 L HA -0.226 4.119 4.340 0.008 0.000 0.208 50 L C 2.426 179.380 176.870 0.140 0.000 1.085 50 L CA 1.465 56.427 54.840 0.203 0.000 0.755 50 L CB -0.444 41.753 42.059 0.230 0.000 0.904 50 L HN 0.758 nan 8.230 nan 0.000 0.435 51 S N -0.372 115.394 115.700 0.110 0.000 2.400 51 S HA -0.201 4.274 4.470 0.008 0.000 0.232 51 S C 1.874 176.517 174.600 0.072 0.000 1.025 51 S CA 0.896 59.142 58.200 0.077 0.000 0.993 51 S CB -0.299 62.935 63.200 0.056 0.000 0.808 51 S HN 0.400 nan 8.310 nan 0.000 0.478 52 K N 0.884 121.332 120.400 0.082 0.000 2.155 52 K HA 0.126 4.451 4.320 0.008 0.000 0.203 52 K C 2.011 178.653 176.600 0.070 0.000 1.052 52 K CA 1.210 57.537 56.287 0.067 0.000 0.948 52 K CB -0.431 32.108 32.500 0.065 0.000 0.728 52 K HN 0.463 nan 8.250 nan 0.000 0.448 53 I N 0.808 121.436 120.570 0.097 0.000 2.286 53 I HA -0.261 3.914 4.170 0.008 0.000 0.248 53 I C 2.239 178.391 176.117 0.060 0.000 1.115 53 I CA 0.960 62.314 61.300 0.089 0.000 1.392 53 I CB -0.343 37.738 38.000 0.134 0.000 1.065 53 I HN -0.134 nan 8.210 nan 0.000 0.418 54 V N 1.117 121.069 119.914 0.064 0.000 2.307 54 V HA -0.302 3.823 4.120 0.008 0.000 0.245 54 V C 2.548 178.666 176.094 0.039 0.000 1.045 54 V CA 2.137 64.467 62.300 0.050 0.000 1.024 54 V CB -0.807 31.049 31.823 0.055 0.000 0.651 54 V HN 0.452 nan 8.190 nan 0.000 0.449 55 K N 0.287 120.710 120.400 0.040 0.000 2.074 55 K HA -0.328 3.997 4.320 0.008 0.000 0.209 55 K C 2.262 178.875 176.600 0.021 0.000 1.048 55 K CA 2.354 58.658 56.287 0.030 0.000 0.926 55 K CB -0.250 32.267 32.500 0.028 0.000 0.713 55 K HN 0.527 nan 8.250 nan 0.000 0.444 56 Q N 0.406 120.219 119.800 0.022 0.000 2.170 56 Q HA -0.123 4.222 4.340 0.008 0.000 0.203 56 Q C 2.061 178.060 176.000 -0.001 0.000 0.976 56 Q CA 1.416 57.226 55.803 0.011 0.000 0.858 56 Q CB -0.003 28.744 28.738 0.014 0.000 0.907 56 Q HN 0.432 nan 8.270 nan 0.000 0.433 57 L N -0.000 121.223 121.223 0.000 0.000 2.072 57 L HA -0.115 4.230 4.340 0.008 0.000 0.205 57 L C 2.437 179.295 176.870 -0.020 0.000 1.079 57 L CA 1.263 56.091 54.840 -0.019 0.000 0.752 57 L CB -0.450 41.598 42.059 -0.018 0.000 0.906 57 L HN 0.313 nan 8.230 nan 0.000 0.436 58 E N 0.739 120.940 120.200 0.002 0.000 2.130 58 E HA -0.278 4.077 4.350 0.008 0.000 0.196 58 E C 1.797 178.397 176.600 -0.000 0.000 0.998 58 E CA 1.503 57.908 56.400 0.009 0.000 0.806 58 E CB 0.092 29.807 29.700 0.024 0.000 0.738 58 E HN 0.500 nan 8.360 nan 0.000 0.459 59 E N -0.531 119.667 120.200 -0.003 0.000 2.482 59 E HA -0.057 4.297 4.350 0.008 0.000 0.196 59 E C 0.963 177.554 176.600 -0.015 0.000 1.047 59 E CA 0.289 56.686 56.400 -0.005 0.000 0.869 59 E CB 0.212 29.911 29.700 -0.002 0.000 0.836 59 E HN 0.167 nan 8.360 nan 0.000 0.520 60 R N 0.165 120.649 120.500 -0.027 0.000 2.586 60 R HA 0.137 4.482 4.340 0.008 0.000 0.336 60 R C -0.046 176.219 176.300 -0.058 0.000 1.060 60 R CA -0.081 55.995 56.100 -0.041 0.000 1.079 60 R CB 0.553 30.822 30.300 -0.051 0.000 1.317 60 R HN -0.077 nan 8.270 nan 0.000 0.568 61 Q N -0.179 119.594 119.800 -0.044 0.000 2.424 61 Q HA -0.139 4.205 4.340 0.008 0.000 0.234 61 Q C -0.956 174.989 176.000 -0.091 0.000 0.748 61 Q CA 0.982 56.757 55.803 -0.048 0.000 1.286 61 Q CB -1.403 27.308 28.738 -0.045 0.000 1.494 61 Q HN 0.405 nan 8.270 nan 0.000 0.683 62 L N 1.044 122.190 121.223 -0.129 0.000 2.282 62 L HA 0.474 4.819 4.340 0.008 0.000 0.288 62 L C 0.479 177.322 176.870 -0.045 0.000 1.033 62 L CA -0.696 54.006 54.840 -0.230 0.000 0.807 62 L CB 1.155 42.998 42.059 -0.360 0.000 1.209 62 L HN -0.001 nan 8.230 nan 0.000 0.423 63 N N 1.361 120.104 118.700 0.071 0.000 2.472 63 N HA 0.399 5.144 4.740 0.008 0.000 0.289 63 N C -0.325 175.359 175.510 0.289 0.000 1.156 63 N CA -0.500 52.660 53.050 0.183 0.000 0.940 63 N CB 2.481 41.111 38.487 0.238 0.000 1.200 63 N HN 0.343 nan 8.380 nan 0.000 0.511 64 V N -0.669 119.375 119.914 0.215 0.000 3.051 64 V HA 0.363 4.487 4.120 0.008 0.000 0.306 64 V C -2.072 174.154 176.094 0.219 0.000 1.083 64 V CA -1.338 61.068 62.300 0.177 0.000 1.104 64 V CB 0.143 32.025 31.823 0.098 0.000 1.027 64 V HN 0.567 nan 8.190 nan 0.000 0.483 65 P HA 0.323 nan 4.420 nan 0.000 0.271 65 P C -0.805 176.513 177.300 0.030 0.000 1.218 65 P CA 0.043 63.084 63.100 -0.099 0.000 0.780 65 P CB 1.607 33.044 31.700 -0.440 0.000 0.901 66 V N 4.659 124.571 119.914 -0.003 0.000 2.733 66 V HA 0.318 4.443 4.120 0.008 0.000 0.306 66 V C -1.005 175.061 176.094 -0.047 0.000 1.084 66 V CA -1.120 61.198 62.300 0.030 0.000 0.905 66 V CB 2.075 33.941 31.823 0.072 0.000 1.010 66 V HN 0.369 nan 8.190 nan 0.000 0.424 67 L N 7.567 128.764 121.223 -0.044 0.000 2.278 67 L HA 0.626 4.971 4.340 0.008 0.000 0.287 67 L C -0.569 176.240 176.870 -0.100 0.000 1.072 67 L CA 0.422 55.209 54.840 -0.088 0.000 0.819 67 L CB 1.304 43.319 42.059 -0.074 0.000 1.176 67 L HN 0.528 nan 8.230 nan 0.000 0.435 68 V N 6.115 125.936 119.914 -0.155 0.000 2.417 68 V HA 0.574 4.699 4.120 0.008 0.000 0.291 68 V C -0.051 175.809 176.094 -0.391 0.000 1.024 68 V CA -0.692 61.453 62.300 -0.258 0.000 0.861 68 V CB 1.442 33.115 31.823 -0.250 0.000 0.985 68 V HN 0.843 nan 8.190 nan 0.000 0.436 69 R N 3.840 124.080 120.500 -0.434 0.000 2.562 69 R HA 0.622 4.967 4.340 0.008 0.000 0.298 69 R C -2.014 174.031 176.300 -0.425 0.000 0.961 69 R CA -0.553 55.338 56.100 -0.349 0.000 0.881 69 R CB 1.557 31.807 30.300 -0.083 0.000 1.159 69 R HN 0.432 nan 8.270 nan 0.000 0.450 70 F N 4.189 124.217 119.950 0.129 0.000 2.359 70 F HA 0.402 4.933 4.527 0.008 0.000 0.369 70 F C -1.701 174.104 175.800 0.009 0.000 1.084 70 F CA -2.591 55.450 58.000 0.068 0.000 1.096 70 F CB 2.087 41.111 39.000 0.040 0.000 1.335 70 F HN 0.473 nan 8.300 nan 0.000 0.457 71 P HA -0.147 nan 4.420 nan 0.000 0.222 71 P C 1.086 178.059 177.300 -0.545 0.000 1.147 71 P CA 1.360 64.335 63.100 -0.209 0.000 0.790 71 P CB 0.198 31.819 31.700 -0.131 0.000 0.780 72 Q N -1.128 118.552 119.800 -0.201 0.000 2.297 72 Q HA -0.035 4.310 4.340 0.008 0.000 0.204 72 Q C 2.008 177.940 176.000 -0.114 0.000 0.962 72 Q CA 0.828 56.570 55.803 -0.102 0.000 0.879 72 Q CB -0.448 28.361 28.738 0.119 0.000 0.947 72 Q HN 0.311 nan 8.270 nan 0.000 0.462 73 I N 0.276 120.739 120.570 -0.179 0.000 2.233 73 I HA -0.267 3.908 4.170 0.008 0.000 0.243 73 I C 2.005 177.977 176.117 -0.242 0.000 1.093 73 I CA 1.001 62.073 61.300 -0.381 0.000 1.380 73 I CB -0.250 37.446 38.000 -0.506 0.000 1.067 73 I HN 0.216 nan 8.210 nan 0.000 0.413 74 L N 0.129 121.223 121.223 -0.214 0.000 2.043 74 L HA -0.300 4.044 4.340 0.008 0.000 0.212 74 L C 2.597 179.408 176.870 -0.098 0.000 1.075 74 L CA 1.874 56.585 54.840 -0.216 0.000 0.752 74 L CB -1.078 40.777 42.059 -0.340 0.000 0.891 74 L HN 0.351 nan 8.230 nan 0.000 0.432 75 H N -1.084 117.983 119.070 -0.005 0.000 2.321 75 H HA -0.174 4.386 4.556 0.008 0.000 0.300 75 H C 2.422 177.844 175.328 0.155 0.000 1.087 75 H CA 1.196 57.280 56.048 0.060 0.000 1.319 75 H CB 0.010 29.849 29.762 0.128 0.000 1.379 75 H HN 0.402 nan 8.280 nan 0.000 0.501 76 Q N 0.347 120.305 119.800 0.264 0.000 2.124 76 Q HA -0.138 4.207 4.340 0.008 0.000 0.202 76 Q C 2.296 178.436 176.000 0.232 0.000 0.977 76 Q CA 0.733 56.706 55.803 0.283 0.000 0.850 76 Q CB 0.103 29.009 28.738 0.279 0.000 0.901 76 Q HN 0.329 nan 8.270 nan 0.000 0.429 77 R N 0.179 120.764 120.500 0.142 0.000 2.083 77 R HA -0.101 4.244 4.340 0.008 0.000 0.237 77 R C 2.297 178.661 176.300 0.105 0.000 1.137 77 R CA 0.906 57.085 56.100 0.132 0.000 0.951 77 R CB -1.225 29.125 30.300 0.083 0.000 0.851 77 R HN 0.163 nan 8.270 nan 0.000 0.434 78 V N 0.510 120.442 119.914 0.030 0.000 2.332 78 V HA -0.263 3.862 4.120 0.008 0.000 0.248 78 V C 1.964 178.031 176.094 -0.045 0.000 1.055 78 V CA 2.071 64.344 62.300 -0.044 0.000 1.038 78 V CB -0.623 31.091 31.823 -0.181 0.000 0.651 78 V HN 0.400 nan 8.190 nan 0.000 0.450 79 H N -0.847 118.303 119.070 0.132 0.000 2.428 79 H HA -0.056 4.505 4.556 0.008 0.000 0.296 79 H C 2.505 177.910 175.328 0.128 0.000 1.062 79 H CA 1.413 57.536 56.048 0.125 0.000 1.350 79 H CB -0.045 29.781 29.762 0.107 0.000 1.403 79 H HN 0.321 nan 8.280 nan 0.000 0.533 80 S N 0.084 115.920 115.700 0.227 0.000 2.368 80 S HA -0.093 4.382 4.470 0.008 0.000 0.224 80 S C 2.136 176.833 174.600 0.162 0.000 1.029 80 S CA 1.008 59.311 58.200 0.171 0.000 0.988 80 S CB -0.085 63.207 63.200 0.154 0.000 0.838 80 S HN 0.283 nan 8.310 nan 0.000 0.462 81 I N 0.958 121.638 120.570 0.183 0.000 2.252 81 I HA -0.200 3.975 4.170 0.008 0.000 0.245 81 I C 2.278 178.544 176.117 0.248 0.000 1.102 81 I CA 0.739 62.175 61.300 0.227 0.000 1.385 81 I CB -0.475 37.683 38.000 0.262 0.000 1.064 81 I HN 0.350 nan 8.210 nan 0.000 0.414 82 C N 0.647 120.101 119.300 0.257 0.000 2.429 82 C HA -0.154 4.310 4.460 0.008 0.000 0.277 82 C C 2.428 177.546 174.990 0.213 0.000 1.262 82 C CA 0.639 59.831 59.018 0.290 0.000 1.733 82 C CB -1.015 26.898 27.740 0.289 0.000 2.010 82 C HN 0.519 nan 8.230 nan 0.000 0.483 83 D N 1.053 121.561 120.400 0.180 0.000 2.144 83 D HA -0.066 4.579 4.640 0.008 0.000 0.199 83 D C 2.291 178.640 176.300 0.081 0.000 0.984 83 D CA 1.624 55.702 54.000 0.130 0.000 0.834 83 D CB -0.483 40.388 40.800 0.117 0.000 0.955 83 D HN 0.512 nan 8.370 nan 0.000 0.465 84 A N 0.317 123.176 122.820 0.064 0.000 1.877 84 A HA -0.153 4.171 4.320 0.008 0.000 0.216 84 A C 2.088 179.592 177.584 -0.134 0.000 1.186 84 A CA 0.990 53.008 52.037 -0.033 0.000 0.620 84 A CB -1.017 17.957 19.000 -0.043 0.000 0.822 84 A HN 0.133 nan 8.150 nan 0.000 0.443 85 F N 0.721 120.545 119.950 -0.210 0.000 2.134 85 F HA -0.158 4.374 4.527 0.008 0.000 0.299 85 F C 2.317 178.038 175.800 -0.132 0.000 1.097 85 F CA 1.569 59.380 58.000 -0.316 0.000 1.264 85 F CB -0.301 38.192 39.000 -0.845 0.000 1.001 85 F HN 0.207 nan 8.300 nan 0.000 0.479 86 N N 0.009 118.791 118.700 0.136 0.000 2.166 86 N HA -0.207 4.538 4.740 0.008 0.000 0.186 86 N C 1.879 177.441 175.510 0.087 0.000 1.019 86 N CA 1.032 54.164 53.050 0.136 0.000 0.856 86 N CB -0.581 37.996 38.487 0.150 0.000 0.993 86 N HN 0.426 nan 8.380 nan 0.000 0.426 87 Q N 0.375 120.204 119.800 0.047 0.000 2.079 87 Q HA -0.008 4.337 4.340 0.008 0.000 0.200 87 Q C 1.835 177.845 176.000 0.016 0.000 0.974 87 Q CA 1.410 57.231 55.803 0.030 0.000 0.840 87 Q CB -0.028 28.716 28.738 0.011 0.000 0.898 87 Q HN 0.337 nan 8.270 nan 0.000 0.430 88 A N 0.741 123.538 122.820 -0.039 0.000 1.898 88 A HA -0.148 4.177 4.320 0.008 0.000 0.216 88 A C 1.984 179.585 177.584 0.029 0.000 1.181 88 A CA 1.159 53.161 52.037 -0.057 0.000 0.620 88 A CB -0.628 18.248 19.000 -0.206 0.000 0.819 88 A HN 0.472 nan 8.150 nan 0.000 0.442 89 I N -0.306 120.295 120.570 0.052 0.000 2.208 89 I HA -0.295 3.879 4.170 0.008 0.000 0.245 89 I C 2.508 178.746 176.117 0.201 0.000 1.097 89 I CA 1.793 63.185 61.300 0.154 0.000 1.363 89 I CB -0.326 37.789 38.000 0.193 0.000 1.051 89 I HN 0.442 nan 8.210 nan 0.000 0.413 90 E N 0.294 120.576 120.200 0.137 0.000 2.107 90 E HA -0.206 4.149 4.350 0.008 0.000 0.191 90 E C 2.069 178.730 176.600 0.102 0.000 0.982 90 E CA 0.944 57.413 56.400 0.114 0.000 0.809 90 E CB -0.028 29.723 29.700 0.084 0.000 0.756 90 E HN 0.515 nan 8.360 nan 0.000 0.459 91 E N 0.073 120.331 120.200 0.097 0.000 2.077 91 E HA -0.208 4.147 4.350 0.008 0.000 0.193 91 E C 1.729 178.398 176.600 0.115 0.000 0.989 91 E CA 0.996 57.447 56.400 0.084 0.000 0.800 91 E CB -0.114 29.626 29.700 0.066 0.000 0.746 91 E HN 0.280 nan 8.360 nan 0.000 0.452 92 Y N 1.097 121.423 120.300 0.043 0.000 2.395 92 Y HA -0.088 4.466 4.550 0.007 0.000 0.293 92 Y C 0.157 176.106 175.900 0.082 0.000 1.123 92 Y CA 0.978 59.116 58.100 0.064 0.000 1.227 92 Y CB 0.392 38.903 38.460 0.086 0.000 1.012 92 Y HN -0.047 nan 8.280 nan 0.000 0.552 93 Q N -0.893 119.010 119.800 0.172 0.000 2.461 93 Q HA -0.330 4.014 4.340 0.008 0.000 0.298 93 Q C -0.980 175.173 176.000 0.256 0.000 1.399 93 Q CA 0.583 56.464 55.803 0.130 0.000 0.778 93 Q CB -2.623 26.115 28.738 -0.000 0.000 1.130 93 Q HN 0.626 nan 8.270 nan 0.000 0.407 94 Y N 2.853 123.324 120.300 0.286 0.000 2.436 94 Y HA 0.166 4.721 4.550 0.009 0.000 0.336 94 Y C -1.384 174.602 175.900 0.143 0.000 1.049 94 Y CA -1.644 56.622 58.100 0.276 0.000 1.294 94 Y CB 0.949 39.526 38.460 0.195 0.000 1.179 94 Y HN 0.066 nan 8.280 nan 0.000 0.520 95 P HA 0.093 nan 4.420 nan 0.000 0.249 95 P C -0.957 176.282 177.300 -0.102 0.000 1.593 95 P CA 0.455 63.491 63.100 -0.106 0.000 0.896 95 P CB 0.114 31.734 31.700 -0.133 0.000 1.581 96 N N 0.105 118.813 118.700 0.013 0.000 3.243 96 N HA 0.316 5.061 4.740 0.008 0.000 0.280 96 N C -0.914 174.777 175.510 0.301 0.000 1.545 96 N CA -0.531 52.591 53.050 0.119 0.000 0.854 96 N CB 1.656 40.165 38.487 0.036 0.000 1.612 96 N HN -0.213 nan 8.380 nan 0.000 0.577 97 K N -0.237 120.302 120.400 0.231 0.000 2.245 97 K HA 0.390 4.714 4.320 0.008 0.000 0.234 97 K C -1.064 175.678 176.600 0.237 0.000 1.021 97 K CA -0.588 55.834 56.287 0.225 0.000 0.898 97 K CB 1.178 33.770 32.500 0.152 0.000 1.163 97 K HN 0.425 nan 8.250 nan 0.000 0.459 98 Y N 0.965 121.307 120.300 0.071 0.000 2.420 98 Y HA 0.576 5.131 4.550 0.008 0.000 0.334 98 Y C -1.477 174.402 175.900 -0.036 0.000 1.094 98 Y CA -1.365 56.709 58.100 -0.043 0.000 1.126 98 Y CB 1.119 39.532 38.460 -0.078 0.000 1.217 98 Y HN 0.427 nan 8.280 nan 0.000 0.462 99 L N 7.378 127.965 121.223 -1.060 0.000 2.439 99 L HA 0.495 4.839 4.340 0.008 0.000 0.270 99 L C -2.262 173.958 176.870 -1.083 0.000 0.972 99 L CA -0.824 53.536 54.840 -0.799 0.000 0.836 99 L CB 1.523 43.399 42.059 -0.306 0.000 1.255 99 L HN 0.686 nan 8.230 nan 0.000 0.404 100 L N 6.353 127.117 121.223 -0.764 0.000 2.290 100 L HA 0.663 5.008 4.340 0.008 0.000 0.284 100 L C -1.038 175.731 176.870 -0.168 0.000 1.078 100 L CA 0.086 54.708 54.840 -0.363 0.000 0.815 100 L CB 1.349 43.395 42.059 -0.021 0.000 1.162 100 L HN 0.455 nan 8.230 nan 0.000 0.435 101 V N 6.151 126.001 119.914 -0.106 0.000 2.448 101 V HA 0.265 4.390 4.120 0.008 0.000 0.295 101 V C -0.981 175.137 176.094 0.040 0.000 1.025 101 V CA -0.686 61.585 62.300 -0.049 0.000 0.859 101 V CB 1.323 33.081 31.823 -0.108 0.000 0.988 101 V HN 0.651 nan 8.190 nan 0.000 0.431 102 Y N 8.627 128.894 120.300 -0.055 0.000 2.350 102 Y HA 0.532 5.086 4.550 0.007 0.000 0.340 102 Y C -2.308 173.563 175.900 -0.049 0.000 1.006 102 Y CA -2.919 55.157 58.100 -0.041 0.000 1.166 102 Y CB 1.693 40.131 38.460 -0.037 0.000 1.168 102 Y HN 0.423 nan 8.280 nan 0.000 0.502 103 P HA 0.158 nan 4.420 nan 0.000 0.288 103 P C 0.788 177.583 177.300 -0.842 0.000 1.363 103 P CA -0.098 62.669 63.100 -0.555 0.000 0.837 103 P CB 0.350 31.856 31.700 -0.324 0.000 0.981 104 I N 2.297 122.504 120.570 -0.605 0.000 2.916 104 I HA -0.213 3.962 4.170 0.008 0.000 0.267 104 I C 1.817 177.788 176.117 -0.244 0.000 1.263 104 I CA 0.878 61.917 61.300 -0.435 0.000 1.471 104 I CB -0.662 37.263 38.000 -0.125 0.000 1.089 104 I HN 0.128 nan 8.210 nan 0.000 0.468 105 K N 1.727 121.999 120.400 -0.213 0.000 2.152 105 K HA -0.110 4.214 4.320 0.008 0.000 0.206 105 K C 1.666 178.197 176.600 -0.114 0.000 1.048 105 K CA 1.904 58.142 56.287 -0.083 0.000 0.933 105 K CB -0.705 31.790 32.500 -0.008 0.000 0.721 105 K HN 0.320 nan 8.250 nan 0.000 0.447 106 V N 0.955 120.685 119.914 -0.306 0.000 2.343 106 V HA -0.143 3.981 4.120 0.008 0.000 0.247 106 V C 0.821 176.760 176.094 -0.258 0.000 1.051 106 V CA 1.458 63.417 62.300 -0.567 0.000 1.036 106 V CB -0.723 30.807 31.823 -0.488 0.000 0.654 106 V HN 0.572 nan 8.190 nan 0.000 0.451 107 N N -0.741 117.937 118.700 -0.036 0.000 2.616 107 N HA 0.193 4.938 4.740 0.008 0.000 0.281 107 N C -0.161 175.416 175.510 0.112 0.000 1.145 107 N CA -0.227 52.869 53.050 0.076 0.000 0.919 107 N CB 1.952 40.523 38.487 0.140 0.000 1.509 107 N HN 0.086 nan 8.380 nan 0.000 0.537 108 Q N 0.354 120.194 119.800 0.066 0.000 2.403 108 Q HA 0.194 4.538 4.340 0.008 0.000 0.203 108 Q C -0.039 175.993 176.000 0.053 0.000 0.932 108 Q CA 0.338 56.175 55.803 0.057 0.000 0.945 108 Q CB 0.335 29.086 28.738 0.023 0.000 1.045 108 Q HN 0.499 nan 8.270 nan 0.000 0.511 109 Q N 0.760 120.593 119.800 0.055 0.000 2.286 109 Q HA -0.043 4.301 4.340 0.008 0.000 0.290 109 Q C 0.849 176.855 176.000 0.010 0.000 1.049 109 Q CA 0.252 56.073 55.803 0.031 0.000 0.923 109 Q CB 0.663 29.425 28.738 0.041 0.000 1.183 109 Q HN 0.241 nan 8.270 nan 0.000 0.383 110 R N 3.040 123.528 120.500 -0.019 0.000 2.105 110 R HA -0.175 4.170 4.340 0.008 0.000 0.239 110 R C 1.656 177.922 176.300 -0.056 0.000 1.135 110 R CA 1.783 57.860 56.100 -0.039 0.000 0.967 110 R CB 0.133 30.390 30.300 -0.072 0.000 0.861 110 R HN 0.742 nan 8.270 nan 0.000 0.442 111 E N 0.143 120.296 120.200 -0.078 0.000 2.110 111 E HA -0.112 4.242 4.350 0.008 0.000 0.193 111 E C 1.983 178.575 176.600 -0.012 0.000 0.988 111 E CA 1.278 57.641 56.400 -0.061 0.000 0.804 111 E CB -0.595 29.070 29.700 -0.058 0.000 0.745 111 E HN 0.186 nan 8.360 nan 0.000 0.458 112 V N 1.685 121.584 119.914 -0.024 0.000 2.283 112 V HA -0.196 3.928 4.120 0.008 0.000 0.243 112 V C 2.789 178.793 176.094 -0.150 0.000 1.039 112 V CA 1.484 63.721 62.300 -0.106 0.000 1.016 112 V CB -0.416 31.352 31.823 -0.092 0.000 0.650 112 V HN 0.095 nan 8.190 nan 0.000 0.449 113 V N 0.313 120.181 119.914 -0.077 0.000 2.332 113 V HA -0.289 3.836 4.120 0.008 0.000 0.248 113 V C 2.329 178.403 176.094 -0.034 0.000 1.055 113 V CA 2.252 64.516 62.300 -0.060 0.000 1.038 113 V CB -0.803 31.054 31.823 0.057 0.000 0.651 113 V HN 0.531 nan 8.190 nan 0.000 0.450 114 D N -0.211 120.192 120.400 0.005 0.000 2.116 114 D HA -0.168 4.477 4.640 0.008 0.000 0.193 114 D C 2.313 178.648 176.300 0.059 0.000 0.998 114 D CA 1.315 55.347 54.000 0.052 0.000 0.836 114 D CB -0.191 40.642 40.800 0.056 0.000 0.951 114 D HN 0.421 nan 8.370 nan 0.000 0.449 115 E N 0.120 120.345 120.200 0.042 0.000 2.072 115 E HA -0.068 4.287 4.350 0.008 0.000 0.191 115 E C 2.548 179.205 176.600 0.096 0.000 0.985 115 E CA 0.165 56.637 56.400 0.121 0.000 0.801 115 E CB -0.229 29.486 29.700 0.026 0.000 0.750 115 E HN 0.396 nan 8.360 nan 0.000 0.452 116 I N 1.077 121.602 120.570 -0.075 0.000 2.127 116 I HA -0.305 3.869 4.170 0.008 0.000 0.241 116 I C 2.513 178.606 176.117 -0.040 0.000 1.075 116 I CA 1.038 62.263 61.300 -0.125 0.000 1.334 116 I CB -0.333 37.437 38.000 -0.383 0.000 1.040 116 I HN 0.053 nan 8.210 nan 0.000 0.405 117 L N 0.421 121.637 121.223 -0.011 0.000 2.081 117 L HA -0.258 4.087 4.340 0.008 0.000 0.212 117 L C 2.772 179.663 176.870 0.035 0.000 1.080 117 L CA 1.445 56.309 54.840 0.041 0.000 0.754 117 L CB -0.766 41.357 42.059 0.107 0.000 0.893 117 L HN 0.294 nan 8.230 nan 0.000 0.433 118 A N -0.838 122.005 122.820 0.038 0.000 2.019 118 A HA -0.158 4.166 4.320 0.008 0.000 0.219 118 A C 2.471 180.025 177.584 -0.050 0.000 1.164 118 A CA 1.790 53.826 52.037 -0.002 0.000 0.644 118 A CB -0.402 18.609 19.000 0.018 0.000 0.805 118 A HN 0.406 nan 8.150 nan 0.000 0.449 119 S N 0.226 115.908 115.700 -0.030 0.000 2.343 119 S HA -0.285 4.190 4.470 0.008 0.000 0.219 119 S C 2.140 176.721 174.600 -0.032 0.000 1.033 119 S CA 1.721 59.889 58.200 -0.055 0.000 1.014 119 S CB -0.604 62.538 63.200 -0.096 0.000 0.915 119 S HN 0.886 nan 8.310 nan 0.000 0.435 120 Q N 2.090 121.874 119.800 -0.026 0.000 2.165 120 Q HA -0.298 4.046 4.340 0.008 0.000 0.215 120 Q C 1.986 178.001 176.000 0.024 0.000 1.010 120 Q CA 2.215 58.019 55.803 0.001 0.000 0.896 120 Q CB -0.899 27.852 28.738 0.021 0.000 0.956 120 Q HN 0.452 nan 8.270 nan 0.000 0.413 121 A N 0.361 123.195 122.820 0.022 0.000 1.892 121 A HA -0.302 4.022 4.320 0.008 0.000 0.218 121 A C 2.168 179.774 177.584 0.036 0.000 1.188 121 A CA 1.934 53.986 52.037 0.024 0.000 0.631 121 A CB -0.839 18.161 19.000 0.000 0.000 0.822 121 A HN 0.670 nan 8.150 nan 0.000 0.447 122 Q N -0.632 119.197 119.800 0.048 0.000 2.269 122 Q HA 0.040 4.385 4.340 0.008 0.000 0.201 122 Q C 0.028 176.099 176.000 0.117 0.000 0.946 122 Q CA 0.144 55.991 55.803 0.074 0.000 0.877 122 Q CB -0.265 28.518 28.738 0.075 0.000 0.963 122 Q HN 0.703 nan 8.270 nan 0.000 0.472 123 L N 1.507 122.826 121.223 0.160 0.000 2.462 123 L HA 0.065 4.410 4.340 0.008 0.000 0.272 123 L C 1.140 178.071 176.870 0.103 0.000 1.166 123 L CA -0.112 54.825 54.840 0.163 0.000 0.880 123 L CB 0.293 42.465 42.059 0.187 0.000 1.142 123 L HN 0.034 nan 8.230 nan 0.000 0.473 124 E N 1.108 121.361 120.200 0.090 0.000 2.339 124 E HA -0.267 4.088 4.350 0.008 0.000 0.201 124 E C 1.222 177.863 176.600 0.068 0.000 1.015 124 E CA 1.888 58.329 56.400 0.068 0.000 0.841 124 E CB -0.513 29.224 29.700 0.060 0.000 0.754 124 E HN 0.847 nan 8.360 nan 0.000 0.508 125 T N 0.660 115.262 114.554 0.079 0.000 3.055 125 T HA -0.018 4.337 4.350 0.008 0.000 0.265 125 T C 0.154 174.893 174.700 0.066 0.000 1.111 125 T CA 0.587 62.733 62.100 0.075 0.000 1.118 125 T CB -0.201 68.719 68.868 0.087 0.000 0.909 125 T HN 0.291 nan 8.240 nan 0.000 0.501 126 K N 1.906 122.344 120.400 0.064 0.000 3.278 126 K HA -0.166 4.159 4.320 0.008 0.000 0.270 126 K C -0.564 176.067 176.600 0.052 0.000 0.955 126 K CA 0.507 56.827 56.287 0.055 0.000 0.723 126 K CB -1.265 31.264 32.500 0.050 0.000 1.382 126 K HN 0.532 nan 8.250 nan 0.000 0.461 127 Q N 0.154 119.981 119.800 0.046 0.000 2.353 127 Q HA 0.706 5.050 4.340 0.008 0.000 0.275 127 Q C -0.858 175.151 176.000 0.014 0.000 1.029 127 Q CA -0.893 54.933 55.803 0.038 0.000 0.848 127 Q CB 2.945 31.709 28.738 0.043 0.000 1.390 127 Q HN 0.359 nan 8.270 nan 0.000 0.401 128 L N -1.433 119.797 121.223 0.012 0.000 2.710 128 L HA 0.890 5.234 4.340 0.008 0.000 0.260 128 L C -1.538 175.333 176.870 0.001 0.000 0.993 128 L CA -0.468 54.363 54.840 -0.015 0.000 0.877 128 L CB 2.039 44.088 42.059 -0.017 0.000 1.461 128 L HN 0.736 nan 8.230 nan 0.000 0.413 129 G N 1.619 110.408 108.800 -0.017 0.000 3.013 129 G HA2 0.760 4.724 3.960 0.008 0.000 0.278 129 G HA3 0.760 4.724 3.960 0.008 0.000 0.278 129 G C -1.585 173.323 174.900 0.013 0.000 1.353 129 G CA -0.902 44.192 45.100 -0.009 0.000 1.043 129 G HN 0.609 nan 8.290 nan 0.000 0.523 130 L N -0.210 121.008 121.223 -0.009 0.000 2.354 130 L HA 0.579 4.924 4.340 0.008 0.000 0.264 130 L C -0.562 176.270 176.870 -0.064 0.000 1.008 130 L CA -0.874 53.961 54.840 -0.009 0.000 0.819 130 L CB 2.477 44.531 42.059 -0.009 0.000 1.339 130 L HN 0.440 nan 8.230 nan 0.000 0.420 131 E N 1.673 121.810 120.200 -0.104 0.000 2.222 131 E HA 0.733 5.087 4.350 0.008 0.000 0.267 131 E C -1.732 174.789 176.600 -0.132 0.000 0.884 131 E CA -0.597 55.729 56.400 -0.123 0.000 0.764 131 E CB 2.416 32.029 29.700 -0.145 0.000 1.169 131 E HN 0.663 nan 8.360 nan 0.000 0.413 132 A N 1.920 124.680 122.820 -0.100 0.000 2.355 132 A HA 0.704 5.029 4.320 0.008 0.000 0.324 132 A C 0.269 177.816 177.584 -0.062 0.000 1.117 132 A CA -0.157 51.826 52.037 -0.090 0.000 0.785 132 A CB 1.519 20.469 19.000 -0.083 0.000 1.254 132 A HN 0.565 nan 8.150 nan 0.000 0.453 133 G N 0.221 108.983 108.800 -0.063 0.000 3.993 133 G HA2 0.497 4.462 3.960 0.008 0.000 0.294 133 G HA3 0.497 4.462 3.960 0.008 0.000 0.294 133 G C 0.007 174.919 174.900 0.021 0.000 1.043 133 G CA 0.658 45.739 45.100 -0.033 0.000 0.839 133 G HN 1.751 nan 8.290 nan 0.000 0.516 134 S N -1.652 114.022 115.700 -0.043 0.000 2.645 134 S HA 0.309 4.783 4.470 0.008 0.000 0.268 134 S C 0.628 174.873 174.600 -0.593 0.000 1.110 134 S CA -0.280 57.856 58.200 -0.107 0.000 0.823 134 S CB 1.376 64.554 63.200 -0.037 0.000 1.091 134 S HN 0.060 nan 8.310 nan 0.000 0.466 135 K N 0.954 120.964 120.400 -0.650 0.000 2.009 135 K HA -0.000 4.324 4.320 0.008 0.000 0.210 135 K C -0.906 175.438 176.600 -0.427 0.000 1.049 135 K CA 2.062 57.885 56.287 -0.773 0.000 0.929 135 K CB -1.129 31.201 32.500 -0.283 0.000 0.714 135 K HN 0.543 nan 8.250 nan 0.000 0.440 136 P HA -0.094 nan 4.420 nan 0.000 0.222 136 P C 0.468 177.676 177.300 -0.153 0.000 1.153 136 P CA 1.214 64.221 63.100 -0.156 0.000 0.798 136 P CB 0.044 31.692 31.700 -0.087 0.000 0.796 137 E N -0.330 119.765 120.200 -0.175 0.000 2.106 137 E HA -0.138 4.217 4.350 0.008 0.000 0.192 137 E C 1.990 178.492 176.600 -0.163 0.000 0.984 137 E CA 0.539 56.853 56.400 -0.143 0.000 0.806 137 E CB -0.572 29.054 29.700 -0.124 0.000 0.750 137 E HN 0.109 nan 8.360 nan 0.000 0.458 138 L N 1.121 122.196 121.223 -0.247 0.000 2.012 138 L HA -0.194 4.151 4.340 0.008 0.000 0.210 138 L C 2.093 178.873 176.870 -0.149 0.000 1.073 138 L CA 1.584 56.302 54.840 -0.204 0.000 0.748 138 L CB -0.370 41.521 42.059 -0.280 0.000 0.891 138 L HN 0.082 nan 8.230 nan 0.000 0.431 139 L N -0.600 120.534 121.223 -0.149 0.000 2.046 139 L HA -0.186 4.159 4.340 0.008 0.000 0.208 139 L C 2.675 179.494 176.870 -0.085 0.000 1.077 139 L CA 1.288 56.069 54.840 -0.100 0.000 0.747 139 L CB -0.933 41.075 42.059 -0.085 0.000 0.896 139 L HN 0.387 nan 8.230 nan 0.000 0.432 140 A N -0.606 122.162 122.820 -0.086 0.000 1.902 140 A HA -0.138 4.187 4.320 0.008 0.000 0.217 140 A C 2.346 179.885 177.584 -0.074 0.000 1.181 140 A CA 1.725 53.722 52.037 -0.067 0.000 0.623 140 A CB -0.778 18.189 19.000 -0.055 0.000 0.818 140 A HN 0.189 nan 8.150 nan 0.000 0.443 141 V N -0.114 119.744 119.914 -0.093 0.000 2.427 141 V HA -0.211 3.914 4.120 0.008 0.000 0.248 141 V C 2.534 178.540 176.094 -0.146 0.000 1.051 141 V CA 1.763 63.999 62.300 -0.106 0.000 1.048 141 V CB -0.618 31.134 31.823 -0.117 0.000 0.666 141 V HN 0.561 nan 8.190 nan 0.000 0.456 142 L N -0.136 121.000 121.223 -0.144 0.000 2.056 142 L HA -0.143 4.202 4.340 0.008 0.000 0.207 142 L C 2.715 179.529 176.870 -0.093 0.000 1.078 142 L CA 1.533 56.285 54.840 -0.147 0.000 0.749 142 L CB -0.705 41.300 42.059 -0.091 0.000 0.901 142 L HN 0.360 nan 8.230 nan 0.000 0.433 143 A N -0.310 122.464 122.820 -0.077 0.000 1.877 143 A HA -0.258 4.067 4.320 0.008 0.000 0.216 143 A C 2.255 179.785 177.584 -0.089 0.000 1.186 143 A CA 1.916 53.914 52.037 -0.064 0.000 0.620 143 A CB -0.503 18.468 19.000 -0.049 0.000 0.822 143 A HN 0.354 nan 8.150 nan 0.000 0.443 144 M N -0.786 118.758 119.600 -0.093 0.000 2.296 144 M HA -0.059 4.425 4.480 0.008 0.000 0.265 144 M C 1.887 178.061 176.300 -0.210 0.000 1.064 144 M CA 1.280 56.521 55.300 -0.098 0.000 1.109 144 M CB -0.078 32.498 32.600 -0.040 0.000 1.396 144 M HN 0.436 nan 8.290 nan 0.000 0.430 145 A N -1.038 121.652 122.820 -0.217 0.000 2.379 145 A HA 0.070 4.395 4.320 0.008 0.000 0.236 145 A C 1.652 179.098 177.584 -0.230 0.000 1.272 145 A CA -0.155 51.722 52.037 -0.266 0.000 0.886 145 A CB -0.338 18.584 19.000 -0.131 0.000 0.962 145 A HN 0.435 nan 8.150 nan 0.000 0.504 146 Q N 0.081 119.745 119.800 -0.226 0.000 2.096 146 Q HA -0.274 4.071 4.340 0.008 0.000 0.208 146 Q C 1.888 177.841 176.000 -0.080 0.000 0.993 146 Q CA 2.240 57.989 55.803 -0.091 0.000 0.862 146 Q CB -0.451 28.250 28.738 -0.062 0.000 0.915 146 Q HN 1.042 nan 8.270 nan 0.000 0.416 147 H N -1.529 117.572 119.070 0.052 0.000 2.422 147 H HA 0.130 4.691 4.556 0.008 0.000 0.298 147 H C 0.304 175.650 175.328 0.030 0.000 1.098 147 H CA 0.710 56.778 56.048 0.034 0.000 1.315 147 H CB 0.057 29.837 29.762 0.030 0.000 1.382 147 H HN 0.158 nan 8.280 nan 0.000 0.523 148 A N 1.062 124.013 122.820 0.220 0.000 2.449 148 A HA 0.397 4.721 4.320 0.008 0.000 0.302 148 A C -0.315 177.338 177.584 0.114 0.000 1.048 148 A CA -0.408 51.751 52.037 0.202 0.000 0.708 148 A CB 1.898 21.088 19.000 0.316 0.000 1.274 148 A HN 0.298 nan 8.150 nan 0.000 0.410 149 S N 0.694 116.406 115.700 0.020 0.000 2.568 149 S HA 0.523 4.998 4.470 0.008 0.000 0.282 149 S C 0.296 174.989 174.600 0.155 0.000 1.338 149 S CA 0.659 58.836 58.200 -0.039 0.000 1.045 149 S CB 0.293 63.448 63.200 -0.075 0.000 0.873 149 S HN 1.606 nan 8.310 nan 0.000 0.516 150 S N 2.402 118.301 115.700 0.332 0.000 2.550 150 S HA 0.504 4.978 4.470 0.008 0.000 0.270 150 S C -1.319 173.380 174.600 0.164 0.000 1.145 150 S CA -0.733 57.607 58.200 0.234 0.000 0.852 150 S CB 1.232 64.542 63.200 0.184 0.000 1.119 150 S HN 0.596 nan 8.310 nan 0.000 0.465 151 V N 4.195 124.163 119.914 0.090 0.000 2.488 151 V HA 0.467 4.591 4.120 0.008 0.000 0.277 151 V C -0.301 175.813 176.094 0.033 0.000 1.046 151 V CA 0.065 62.416 62.300 0.085 0.000 0.986 151 V CB 0.561 32.414 31.823 0.050 0.000 0.989 151 V HN 0.670 nan 8.190 nan 0.000 0.475 152 I N 5.356 125.953 120.570 0.046 0.000 2.478 152 I HA 0.421 4.596 4.170 0.008 0.000 0.287 152 I C -0.700 175.454 176.117 0.061 0.000 1.042 152 I CA -0.688 60.605 61.300 -0.011 0.000 1.067 152 I CB 2.178 40.117 38.000 -0.101 0.000 1.233 152 I HN 0.249 nan 8.210 nan 0.000 0.431 153 V N 5.145 125.060 119.914 0.003 0.000 2.398 153 V HA 0.320 4.445 4.120 0.008 0.000 0.286 153 V C -0.329 175.727 176.094 -0.063 0.000 1.026 153 V CA -0.480 61.809 62.300 -0.018 0.000 0.868 153 V CB 1.544 33.297 31.823 -0.117 0.000 0.982 153 V HN 0.789 nan 8.190 nan 0.000 0.443 154 C N 5.836 125.100 119.300 -0.061 0.000 2.264 154 C HA 0.553 5.018 4.460 0.008 0.000 0.324 154 C C 0.454 175.346 174.990 -0.163 0.000 1.267 154 C CA -0.903 58.093 59.018 -0.037 0.000 1.618 154 C CB -0.664 27.067 27.740 -0.015 0.000 2.278 154 C HN 0.886 nan 8.230 nan 0.000 0.499 155 N N 0.813 119.424 118.700 -0.149 0.000 2.815 155 N HA 0.758 5.503 4.740 0.008 0.000 0.315 155 N C 0.176 175.538 175.510 -0.246 0.000 1.320 155 N CA 0.428 53.301 53.050 -0.294 0.000 0.846 155 N CB 1.981 40.277 38.487 -0.319 0.000 1.344 155 N HN 1.018 nan 8.380 nan 0.000 0.593 156 G N -0.288 108.175 108.800 -0.561 0.000 2.660 156 G HA2 -0.234 3.731 3.960 0.008 0.000 0.247 156 G HA3 -0.234 3.731 3.960 0.008 0.000 0.247 156 G C -1.424 173.276 174.900 -0.332 0.000 1.328 156 G CA -0.714 44.110 45.100 -0.461 0.000 0.884 156 G HN 0.503 nan 8.290 nan 0.000 0.531 157 Y N 1.583 121.877 120.300 -0.010 0.000 2.336 157 Y HA 0.575 5.131 4.550 0.009 0.000 0.335 157 Y C 0.821 176.773 175.900 0.086 0.000 1.046 157 Y CA 0.030 58.188 58.100 0.095 0.000 1.198 157 Y CB 0.766 39.366 38.460 0.232 0.000 1.182 157 Y HN 0.399 nan 8.280 nan 0.000 0.502 158 K N 6.027 126.308 120.400 -0.198 0.000 2.293 158 K HA 0.188 4.513 4.320 0.008 0.000 0.267 158 K C -0.897 175.703 176.600 0.000 0.000 1.010 158 K CA -0.916 55.258 56.287 -0.188 0.000 0.875 158 K CB 0.810 32.988 32.500 -0.536 0.000 1.106 158 K HN 0.671 nan 8.250 nan 0.000 0.450 159 D N 1.139 121.647 120.400 0.180 0.000 2.506 159 D HA 0.075 4.719 4.640 0.008 0.000 0.272 159 D C 0.962 177.311 176.300 0.082 0.000 1.214 159 D CA -0.647 53.442 54.000 0.149 0.000 1.067 159 D CB 0.699 41.602 40.800 0.172 0.000 1.117 159 D HN 0.315 nan 8.370 nan 0.000 0.578 160 R N -0.469 120.072 120.500 0.068 0.000 2.091 160 R HA -0.194 4.151 4.340 0.008 0.000 0.238 160 R C 1.943 178.277 176.300 0.057 0.000 1.136 160 R CA 1.715 57.840 56.100 0.042 0.000 0.959 160 R CB -0.141 30.180 30.300 0.036 0.000 0.856 160 R HN 0.687 nan 8.270 nan 0.000 0.437 161 E N -0.585 119.662 120.200 0.078 0.000 2.077 161 E HA -0.250 4.105 4.350 0.008 0.000 0.193 161 E C 1.773 178.451 176.600 0.131 0.000 0.989 161 E CA 1.279 57.727 56.400 0.080 0.000 0.800 161 E CB -0.283 29.456 29.700 0.064 0.000 0.746 161 E HN 0.517 nan 8.360 nan 0.000 0.452 162 Y N 0.515 120.815 120.300 0.000 0.000 2.070 162 Y HA -0.285 4.270 4.550 0.009 0.000 0.280 162 Y C 2.157 178.040 175.900 -0.029 0.000 1.148 162 Y CA 0.884 58.975 58.100 -0.014 0.000 1.125 162 Y CB 0.016 38.472 38.460 -0.007 0.000 0.975 162 Y HN 0.092 nan 8.280 nan 0.000 0.492 163 I N 1.061 121.668 120.570 0.061 0.000 2.145 163 I HA -0.358 3.817 4.170 0.008 0.000 0.244 163 I C 2.461 178.584 176.117 0.010 0.000 1.075 163 I CA 1.697 62.972 61.300 -0.042 0.000 1.332 163 I CB -1.330 36.626 38.000 -0.073 0.000 1.033 163 I HN 0.342 nan 8.210 nan 0.000 0.410 164 R N 0.027 120.546 120.500 0.032 0.000 2.075 164 R HA -0.096 4.248 4.340 0.008 0.000 0.232 164 R C 2.404 178.723 176.300 0.031 0.000 1.126 164 R CA 0.963 57.077 56.100 0.023 0.000 0.963 164 R CB -0.362 29.951 30.300 0.021 0.000 0.858 164 R HN 0.311 nan 8.270 nan 0.000 0.435 165 L N 0.230 121.486 121.223 0.055 0.000 2.012 165 L HA -0.222 4.123 4.340 0.008 0.000 0.210 165 L C 2.685 179.585 176.870 0.050 0.000 1.073 165 L CA 1.463 56.332 54.840 0.049 0.000 0.748 165 L CB -0.622 41.465 42.059 0.045 0.000 0.891 165 L HN 0.269 nan 8.230 nan 0.000 0.431 166 A N -0.157 122.711 122.820 0.081 0.000 1.933 166 A HA -0.160 4.165 4.320 0.008 0.000 0.218 166 A C 2.229 179.814 177.584 0.003 0.000 1.175 166 A CA 1.523 53.588 52.037 0.046 0.000 0.628 166 A CB -0.639 18.384 19.000 0.037 0.000 0.814 166 A HN 0.389 nan 8.150 nan 0.000 0.444 167 L N -0.882 120.339 121.223 -0.004 0.000 2.240 167 L HA -0.028 4.316 4.340 0.008 0.000 0.211 167 L C 2.315 179.180 176.870 -0.007 0.000 1.106 167 L CA 0.561 55.390 54.840 -0.019 0.000 0.793 167 L CB -0.317 41.729 42.059 -0.023 0.000 0.927 167 L HN 0.349 nan 8.230 nan 0.000 0.446 168 I N -0.160 120.413 120.570 0.006 0.000 2.252 168 I HA -0.199 3.976 4.170 0.008 0.000 0.245 168 I C 2.622 178.754 176.117 0.025 0.000 1.102 168 I CA 1.350 62.657 61.300 0.011 0.000 1.385 168 I CB -0.771 37.237 38.000 0.013 0.000 1.064 168 I HN 0.269 nan 8.210 nan 0.000 0.414 169 G N 0.397 109.221 108.800 0.040 0.000 2.469 169 G HA2 -0.355 3.610 3.960 0.008 0.000 0.219 169 G HA3 -0.355 3.610 3.960 0.008 0.000 0.219 169 G C 1.525 176.484 174.900 0.099 0.000 1.150 169 G CA 1.311 46.468 45.100 0.095 0.000 0.763 169 G HN 0.365 nan 8.290 nan 0.000 0.561 170 E N 0.377 120.592 120.200 0.025 0.000 2.046 170 E HA -0.003 4.351 4.350 0.008 0.000 0.190 170 E C 2.348 178.935 176.600 -0.021 0.000 0.982 170 E CA 1.137 57.530 56.400 -0.013 0.000 0.800 170 E CB -0.275 29.390 29.700 -0.058 0.000 0.756 170 E HN 0.394 nan 8.360 nan 0.000 0.449 171 K N -0.055 120.335 120.400 -0.017 0.000 2.059 171 K HA -0.150 4.175 4.320 0.008 0.000 0.212 171 K C 1.536 178.118 176.600 -0.029 0.000 1.050 171 K CA 1.648 57.923 56.287 -0.020 0.000 0.927 171 K CB -0.246 32.246 32.500 -0.012 0.000 0.714 171 K HN 0.227 nan 8.250 nan 0.000 0.447 172 L N -0.474 120.733 121.223 -0.026 0.000 2.645 172 L HA 0.098 4.442 4.340 0.008 0.000 0.235 172 L C 1.102 177.885 176.870 -0.145 0.000 1.150 172 L CA 0.447 55.251 54.840 -0.060 0.000 0.911 172 L CB 0.046 42.086 42.059 -0.033 0.000 1.077 172 L HN 0.578 nan 8.230 nan 0.000 0.438 173 G N -1.628 107.098 108.800 -0.123 0.000 2.179 173 G HA2 -0.208 3.757 3.960 0.008 0.000 0.220 173 G HA3 -0.208 3.757 3.960 0.008 0.000 0.220 173 G C 0.302 175.089 174.900 -0.188 0.000 0.990 173 G CA -0.500 44.505 45.100 -0.158 0.000 0.646 173 G HN 0.367 nan 8.290 nan 0.000 0.517 174 H N 0.849 119.894 119.070 -0.042 0.000 2.607 174 H HA 0.347 4.907 4.556 0.007 0.000 0.367 174 H C 0.510 175.788 175.328 -0.083 0.000 1.181 174 H CA 0.244 56.263 56.048 -0.049 0.000 1.402 174 H CB 0.622 30.354 29.762 -0.050 0.000 1.474 174 H HN 0.218 nan 8.280 nan 0.000 0.596 175 K N 2.011 122.444 120.400 0.055 0.000 2.266 175 K HA 0.301 4.626 4.320 0.008 0.000 0.274 175 K C -0.820 175.646 176.600 -0.224 0.000 1.090 175 K CA -0.404 55.806 56.287 -0.128 0.000 0.925 175 K CB 0.951 33.400 32.500 -0.084 0.000 1.225 175 K HN 0.145 nan 8.250 nan 0.000 0.458 176 V N 4.873 124.602 119.914 -0.308 0.000 2.347 176 V HA 0.298 4.423 4.120 0.008 0.000 0.280 176 V C -0.539 175.317 176.094 -0.397 0.000 1.021 176 V CA -0.789 61.376 62.300 -0.225 0.000 0.847 176 V CB 0.154 31.911 31.823 -0.110 0.000 0.990 176 V HN 0.510 nan 8.190 nan 0.000 0.444 177 F N 5.080 124.970 119.950 -0.100 0.000 2.390 177 F HA 0.509 5.039 4.527 0.005 0.000 0.361 177 F C 0.488 176.211 175.800 -0.128 0.000 1.124 177 F CA -0.427 57.507 58.000 -0.110 0.000 1.149 177 F CB 0.861 39.775 39.000 -0.143 0.000 1.160 177 F HN 0.291 nan 8.300 nan 0.000 0.501 178 I N 4.980 125.545 120.570 -0.008 0.000 2.291 178 I HA 0.174 4.349 4.170 0.008 0.000 0.292 178 I C -0.556 175.510 176.117 -0.084 0.000 1.064 178 I CA -0.582 60.664 61.300 -0.090 0.000 1.269 178 I CB 0.567 38.492 38.000 -0.125 0.000 1.418 178 I HN 0.212 nan 8.210 nan 0.000 0.485 179 V N 7.737 127.566 119.914 -0.142 0.000 2.432 179 V HA 0.189 4.313 4.120 0.008 0.000 0.271 179 V C 0.434 176.423 176.094 -0.175 0.000 1.046 179 V CA -0.563 61.645 62.300 -0.153 0.000 0.945 179 V CB 0.907 32.552 31.823 -0.296 0.000 0.992 179 V HN 0.472 nan 8.190 nan 0.000 0.471 180 L N 4.910 126.069 121.223 -0.106 0.000 2.410 180 L HA 0.295 4.640 4.340 0.008 0.000 0.273 180 L C 0.978 177.797 176.870 -0.084 0.000 1.144 180 L CA 0.370 55.148 54.840 -0.103 0.000 0.863 180 L CB 0.244 42.273 42.059 -0.051 0.000 1.140 180 L HN 0.700 nan 8.230 nan 0.000 0.463 181 E N 1.958 122.092 120.200 -0.110 0.000 2.572 181 E HA 0.164 4.518 4.350 0.008 0.000 0.220 181 E C -0.190 176.444 176.600 0.056 0.000 0.945 181 E CA -0.040 56.343 56.400 -0.029 0.000 1.070 181 E CB 0.977 30.571 29.700 -0.177 0.000 1.090 181 E HN 0.422 nan 8.360 nan 0.000 0.506 182 K N 0.420 120.807 120.400 -0.022 0.000 2.543 182 K HA 0.191 4.516 4.320 0.008 0.000 0.255 182 K C 0.109 176.691 176.600 -0.031 0.000 0.934 182 K CA -0.386 55.893 56.287 -0.013 0.000 0.810 182 K CB 1.419 33.875 32.500 -0.073 0.000 1.315 182 K HN -0.144 nan 8.250 nan 0.000 0.433 183 M N 2.246 121.845 119.600 -0.001 0.000 2.108 183 M HA -0.131 4.354 4.480 0.008 0.000 0.261 183 M C 1.558 177.850 176.300 -0.013 0.000 1.066 183 M CA 2.485 57.787 55.300 0.004 0.000 1.107 183 M CB -0.316 32.298 32.600 0.023 0.000 1.356 183 M HN 0.685 nan 8.290 nan 0.000 0.406 184 S N -0.284 115.403 115.700 -0.020 0.000 2.474 184 S HA -0.168 4.306 4.470 0.008 0.000 0.235 184 S C 1.634 176.204 174.600 -0.051 0.000 0.997 184 S CA 1.120 59.306 58.200 -0.024 0.000 0.949 184 S CB -1.021 62.173 63.200 -0.010 0.000 0.766 184 S HN 0.794 nan 8.310 nan 0.000 0.517 185 E N 0.813 120.962 120.200 -0.086 0.000 2.358 185 E HA -0.039 4.315 4.350 0.008 0.000 0.195 185 E C 1.902 178.451 176.600 -0.085 0.000 1.010 185 E CA 0.328 56.658 56.400 -0.116 0.000 0.856 185 E CB -0.335 29.243 29.700 -0.203 0.000 0.795 185 E HN 0.483 nan 8.360 nan 0.000 0.504 186 L N 2.159 123.348 121.223 -0.056 0.000 2.017 186 L HA -0.147 4.198 4.340 0.008 0.000 0.208 186 L C 1.944 178.797 176.870 -0.029 0.000 1.073 186 L CA 2.413 57.231 54.840 -0.037 0.000 0.745 186 L CB -0.623 41.427 42.059 -0.016 0.000 0.894 186 L HN 0.112 nan 8.230 nan 0.000 0.432 187 D N -1.244 119.142 120.400 -0.022 0.000 2.117 187 D HA -0.226 4.419 4.640 0.008 0.000 0.197 187 D C 2.118 178.405 176.300 -0.021 0.000 0.987 187 D CA 1.233 55.224 54.000 -0.015 0.000 0.829 187 D CB -0.089 40.706 40.800 -0.008 0.000 0.961 187 D HN 0.271 nan 8.370 nan 0.000 0.460 188 L N -0.035 121.170 121.223 -0.031 0.000 2.017 188 L HA -0.119 4.226 4.340 0.008 0.000 0.208 188 L C 2.294 179.140 176.870 -0.040 0.000 1.073 188 L CA 1.404 56.224 54.840 -0.034 0.000 0.745 188 L CB -0.764 41.267 42.059 -0.047 0.000 0.894 188 L HN 0.024 nan 8.230 nan 0.000 0.432 189 V N -0.240 119.641 119.914 -0.055 0.000 2.255 189 V HA -0.345 3.780 4.120 0.008 0.000 0.247 189 V C 2.605 178.677 176.094 -0.037 0.000 1.051 189 V CA 2.231 64.498 62.300 -0.056 0.000 1.018 189 V CB -0.734 31.049 31.823 -0.067 0.000 0.641 189 V HN 0.444 nan 8.190 nan 0.000 0.445 190 L N -0.883 120.323 121.223 -0.028 0.000 2.017 190 L HA -0.176 4.169 4.340 0.008 0.000 0.208 190 L C 2.803 179.665 176.870 -0.015 0.000 1.073 190 L CA 1.675 56.504 54.840 -0.018 0.000 0.745 190 L CB -0.623 41.429 42.059 -0.012 0.000 0.894 190 L HN 0.210 nan 8.230 nan 0.000 0.432 191 R N -0.082 120.410 120.500 -0.014 0.000 2.094 191 R HA -0.180 4.165 4.340 0.008 0.000 0.239 191 R C 2.276 178.570 176.300 -0.010 0.000 1.137 191 R CA 1.563 57.658 56.100 -0.010 0.000 0.943 191 R CB -0.118 30.177 30.300 -0.008 0.000 0.850 191 R HN 0.284 nan 8.270 nan 0.000 0.433 192 E N -0.213 119.979 120.200 -0.014 0.000 2.208 192 E HA -0.094 4.261 4.350 0.008 0.000 0.193 192 E C 1.716 178.307 176.600 -0.014 0.000 0.988 192 E CA 1.038 57.430 56.400 -0.013 0.000 0.828 192 E CB -0.074 29.617 29.700 -0.016 0.000 0.763 192 E HN 0.372 nan 8.360 nan 0.000 0.478 193 A N 1.296 124.105 122.820 -0.019 0.000 1.929 193 A HA -0.143 4.181 4.320 0.008 0.000 0.216 193 A C 2.149 179.725 177.584 -0.014 0.000 1.176 193 A CA 1.427 53.452 52.037 -0.020 0.000 0.628 193 A CB -0.263 18.722 19.000 -0.024 0.000 0.816 193 A HN 0.124 nan 8.150 nan 0.000 0.444 194 K N -0.258 120.135 120.400 -0.011 0.000 2.009 194 K HA -0.157 4.168 4.320 0.008 0.000 0.210 194 K C 2.373 178.969 176.600 -0.006 0.000 1.049 194 K CA 1.609 57.891 56.287 -0.008 0.000 0.929 194 K CB -0.315 32.181 32.500 -0.006 0.000 0.714 194 K HN 0.387 nan 8.250 nan 0.000 0.440 195 S N 0.584 116.281 115.700 -0.006 0.000 2.380 195 S HA -0.141 4.334 4.470 0.008 0.000 0.229 195 S C 1.699 176.297 174.600 -0.004 0.000 1.043 195 S CA 1.432 59.630 58.200 -0.004 0.000 1.038 195 S CB -0.151 63.047 63.200 -0.003 0.000 0.872 195 S HN 0.352 nan 8.310 nan 0.000 0.456 196 L N 0.657 121.876 121.223 -0.006 0.000 2.592 196 L HA 0.290 4.635 4.340 0.008 0.000 0.227 196 L C 1.319 178.184 176.870 -0.009 0.000 1.127 196 L CA 0.326 55.162 54.840 -0.007 0.000 0.884 196 L CB -0.299 41.755 42.059 -0.007 0.000 1.065 196 L HN 0.485 nan 8.230 nan 0.000 0.457 197 G N 0.968 109.762 108.800 -0.009 0.000 2.338 197 G HA2 -0.220 3.745 3.960 0.008 0.000 0.296 197 G HA3 -0.220 3.745 3.960 0.008 0.000 0.296 197 G C -0.251 174.642 174.900 -0.012 0.000 1.040 197 G CA 0.280 45.375 45.100 -0.009 0.000 1.004 197 G HN 0.137 nan 8.290 nan 0.000 0.509 198 V N -0.220 119.685 119.914 -0.016 0.000 2.735 198 V HA 0.597 4.722 4.120 0.008 0.000 0.310 198 V C 0.583 176.663 176.094 -0.024 0.000 1.061 198 V CA -0.583 61.704 62.300 -0.022 0.000 0.913 198 V CB 2.185 33.992 31.823 -0.026 0.000 1.005 198 V HN 0.356 nan 8.190 nan 0.000 0.428 199 T N 6.464 121.002 114.554 -0.027 0.000 2.752 199 T HA 0.297 4.652 4.350 0.008 0.000 0.295 199 T C -2.208 172.466 174.700 -0.044 0.000 0.923 199 T CA -0.558 61.525 62.100 -0.028 0.000 1.112 199 T CB 0.652 69.507 68.868 -0.022 0.000 0.884 199 T HN 0.527 nan 8.240 nan 0.000 0.525 200 P HA 0.277 nan 4.420 nan 0.000 0.275 200 P C -0.597 176.659 177.300 -0.072 0.000 1.228 200 P CA -0.653 62.411 63.100 -0.061 0.000 0.786 200 P CB 0.868 32.540 31.700 -0.046 0.000 0.927 201 R N 2.108 122.530 120.500 -0.131 0.000 2.338 201 R HA 0.633 4.977 4.340 0.008 0.000 0.317 201 R C -0.283 175.985 176.300 -0.053 0.000 0.968 201 R CA -0.768 55.243 56.100 -0.147 0.000 0.849 201 R CB 0.996 31.023 30.300 -0.455 0.000 1.128 201 R HN 0.447 nan 8.270 nan 0.000 0.448 202 L N 1.306 122.572 121.223 0.071 0.000 2.342 202 L HA 0.691 5.036 4.340 0.008 0.000 0.271 202 L C 0.539 177.528 176.870 0.197 0.000 1.008 202 L CA -0.807 54.088 54.840 0.093 0.000 0.818 202 L CB 2.223 44.314 42.059 0.053 0.000 1.296 202 L HN 0.763 nan 8.230 nan 0.000 0.427 203 G N 1.621 110.505 108.800 0.139 0.000 2.788 203 G HA2 0.827 4.792 3.960 0.008 0.000 0.293 203 G HA3 0.827 4.792 3.960 0.008 0.000 0.293 203 G C -1.241 173.697 174.900 0.064 0.000 1.305 203 G CA -0.517 44.654 45.100 0.119 0.000 1.005 203 G HN 0.411 nan 8.290 nan 0.000 0.496 204 I N -0.034 120.580 120.570 0.074 0.000 2.569 204 I HA 0.367 4.541 4.170 0.008 0.000 0.290 204 I C -0.266 175.896 176.117 0.073 0.000 1.088 204 I CA -0.731 60.604 61.300 0.057 0.000 1.047 204 I CB 2.652 40.699 38.000 0.078 0.000 1.237 204 I HN 0.409 nan 8.210 nan 0.000 0.421 205 R N 7.002 127.539 120.500 0.061 0.000 2.297 205 R HA 0.626 4.971 4.340 0.008 0.000 0.308 205 R C -0.915 175.405 176.300 0.032 0.000 1.029 205 R CA -0.423 55.748 56.100 0.117 0.000 0.929 205 R CB 0.916 31.320 30.300 0.173 0.000 1.046 205 R HN 0.640 nan 8.270 nan 0.000 0.461 206 I N 0.600 121.136 120.570 -0.057 0.000 2.525 206 I HA 0.520 4.694 4.170 0.008 0.000 0.301 206 I C -0.433 175.570 176.117 -0.189 0.000 0.992 206 I CA -1.184 59.958 61.300 -0.263 0.000 1.162 206 I CB 1.892 39.434 38.000 -0.765 0.000 1.332 206 I HN 0.455 nan 8.210 nan 0.000 0.458 207 R N 4.995 125.423 120.500 -0.120 0.000 2.357 207 R HA 0.619 4.963 4.340 0.008 0.000 0.296 207 R C -0.980 175.320 176.300 -0.001 0.000 1.052 207 R CA -0.575 55.522 56.100 -0.006 0.000 0.988 207 R CB 1.162 31.511 30.300 0.083 0.000 1.025 207 R HN 0.583 nan 8.270 nan 0.000 0.469 208 L N 1.485 122.727 121.223 0.031 0.000 2.334 208 L HA 0.411 4.756 4.340 0.008 0.000 0.275 208 L C 0.899 177.869 176.870 0.167 0.000 1.036 208 L CA -0.385 54.494 54.840 0.066 0.000 0.807 208 L CB 1.761 43.806 42.059 -0.023 0.000 1.231 208 L HN 0.761 nan 8.230 nan 0.000 0.438 209 A N 0.424 123.360 122.820 0.193 0.000 2.308 209 A HA 0.025 4.350 4.320 0.008 0.000 0.217 209 A C 1.685 179.344 177.584 0.125 0.000 1.216 209 A CA 0.622 52.782 52.037 0.206 0.000 0.864 209 A CB -0.173 18.920 19.000 0.156 0.000 0.902 209 A HN 0.769 nan 8.150 nan 0.000 0.499 210 S N -1.147 114.602 115.700 0.082 0.000 2.575 210 S HA 0.056 4.531 4.470 0.008 0.000 0.215 210 S C 0.853 175.480 174.600 0.044 0.000 0.966 210 S CA 0.035 58.264 58.200 0.050 0.000 0.911 210 S CB 0.054 63.269 63.200 0.024 0.000 0.780 210 S HN 0.400 nan 8.310 nan 0.000 0.514 211 Q N 1.323 121.155 119.800 0.054 0.000 2.172 211 Q HA 0.446 4.790 4.340 0.008 0.000 0.217 211 Q C 0.582 176.611 176.000 0.049 0.000 0.832 211 Q CA 0.374 56.204 55.803 0.045 0.000 1.010 211 Q CB 0.692 29.453 28.738 0.039 0.000 1.133 211 Q HN 0.681 nan 8.270 nan 0.000 0.489 212 G N 0.599 109.438 108.800 0.064 0.000 2.525 212 G HA2 0.134 4.098 3.960 0.008 0.000 0.685 212 G HA3 0.134 4.098 3.960 0.008 0.000 0.685 212 G C -0.695 174.260 174.900 0.091 0.000 1.285 212 G CA -0.654 44.483 45.100 0.062 0.000 0.849 212 G HN 0.292 nan 8.290 nan 0.000 0.653 213 A N 0.037 122.911 122.820 0.090 0.000 2.587 213 A HA 0.598 4.922 4.320 0.008 0.000 0.233 213 A C 2.132 179.760 177.584 0.074 0.000 1.049 213 A CA 2.608 54.717 52.037 0.121 0.000 0.754 213 A CB -0.122 18.933 19.000 0.091 0.000 0.977 213 A HN 3.001 nan 8.150 nan 0.000 0.509 214 G N 1.628 110.474 108.800 0.077 0.000 2.205 214 G HA2 -0.313 3.651 3.960 0.008 0.000 0.261 214 G HA3 -0.313 3.651 3.960 0.008 0.000 0.261 214 G C 0.966 175.667 174.900 -0.332 0.000 0.980 214 G CA 0.968 45.946 45.100 -0.205 0.000 0.632 214 G HN 0.827 nan 8.290 nan 0.000 0.533 215 K N -0.029 120.312 120.400 -0.098 0.000 2.366 215 K HA 0.069 4.394 4.320 0.008 0.000 0.198 215 K C 2.232 178.818 176.600 -0.023 0.000 1.044 215 K CA 1.172 57.428 56.287 -0.051 0.000 0.973 215 K CB -0.235 32.288 32.500 0.037 0.000 0.767 215 K HN 0.795 nan 8.250 nan 0.000 0.475 216 W N 1.390 122.715 121.300 0.041 0.000 2.595 216 W HA 0.016 4.680 4.660 0.007 0.000 0.257 216 W C 0.314 176.869 176.519 0.061 0.000 1.267 216 W CA -0.099 57.283 57.345 0.061 0.000 1.300 216 W CB -0.400 29.103 29.460 0.071 0.000 1.120 216 W HN -0.025 nan 8.180 nan 0.000 0.618 217 Q N 0.787 120.177 119.800 -0.683 0.000 2.256 217 Q HA 0.445 4.790 4.340 0.008 0.000 0.257 217 Q C 1.046 176.858 176.000 -0.314 0.000 0.936 217 Q CA 0.151 55.498 55.803 -0.761 0.000 0.903 217 Q CB 2.301 30.194 28.738 -1.409 0.000 1.263 217 Q HN -0.001 nan 8.270 nan 0.000 0.440 218 A N 3.005 125.741 122.820 -0.141 0.000 1.854 218 A HA -0.061 4.264 4.320 0.008 0.000 0.214 218 A C 1.137 178.667 177.584 -0.090 0.000 1.192 218 A CA 1.450 53.446 52.037 -0.069 0.000 0.611 218 A CB -0.603 18.399 19.000 0.002 0.000 0.832 218 A HN 0.830 nan 8.150 nan 0.000 0.442 219 S N -1.705 113.937 115.700 -0.096 0.000 2.596 219 S HA 0.531 5.005 4.470 0.008 0.000 0.262 219 S C 0.831 175.347 174.600 -0.140 0.000 1.218 219 S CA 0.167 58.315 58.200 -0.088 0.000 0.998 219 S CB 0.009 63.176 63.200 -0.054 0.000 1.060 219 S HN 2.279 nan 8.310 nan 0.000 0.552 220 G N -0.923 107.813 108.800 -0.107 0.000 2.757 220 G HA2 0.177 4.141 3.960 0.008 0.000 0.638 220 G HA3 0.177 4.141 3.960 0.008 0.000 0.638 220 G C 0.462 175.302 174.900 -0.101 0.000 1.344 220 G CA -0.087 44.945 45.100 -0.114 0.000 0.855 220 G HN 1.648 nan 8.290 nan 0.000 0.537 221 G N -0.776 107.971 108.800 -0.089 0.000 2.939 221 G HA2 0.349 4.314 3.960 0.008 0.000 0.210 221 G HA3 0.349 4.314 3.960 0.008 0.000 0.210 221 G C 0.605 175.459 174.900 -0.077 0.000 1.160 221 G CA 1.054 46.112 45.100 -0.070 0.000 0.770 221 G HN 0.754 nan 8.290 nan 0.000 0.543 222 E N 1.023 121.163 120.200 -0.100 0.000 2.360 222 E HA 0.103 4.458 4.350 0.008 0.000 0.269 222 E C 0.356 176.900 176.600 -0.095 0.000 1.022 222 E CA -0.300 56.043 56.400 -0.095 0.000 0.887 222 E CB 0.764 30.392 29.700 -0.119 0.000 0.990 222 E HN -0.064 nan 8.360 nan 0.000 0.426 223 K N 1.931 122.285 120.400 -0.077 0.000 2.476 223 K HA 0.109 4.434 4.320 0.008 0.000 0.196 223 K C 0.003 176.549 176.600 -0.090 0.000 1.025 223 K CA -0.005 56.233 56.287 -0.082 0.000 1.138 223 K CB 0.002 32.462 32.500 -0.067 0.000 0.860 223 K HN 0.137 nan 8.250 nan 0.000 0.515 224 S N 1.780 117.431 115.700 -0.081 0.000 2.429 224 S HA 0.115 4.590 4.470 0.008 0.000 0.292 224 S C 1.174 175.702 174.600 -0.120 0.000 1.183 224 S CA -0.026 58.133 58.200 -0.068 0.000 1.088 224 S CB 0.702 63.884 63.200 -0.030 0.000 1.018 224 S HN 0.170 nan 8.310 nan 0.000 0.511 225 K N 2.116 122.380 120.400 -0.226 0.000 2.025 225 K HA -0.007 4.318 4.320 0.008 0.000 0.207 225 K C -0.208 176.127 176.600 -0.441 0.000 1.049 225 K CA 1.162 57.156 56.287 -0.488 0.000 0.933 225 K CB 0.047 31.930 32.500 -1.028 0.000 0.714 225 K HN 0.429 nan 8.250 nan 0.000 0.438 226 F N -0.530 119.452 119.950 0.053 0.000 2.556 226 F HA 0.559 5.091 4.527 0.008 0.000 0.327 226 F C 0.506 176.329 175.800 0.038 0.000 1.059 226 F CA -0.811 57.216 58.000 0.044 0.000 0.953 226 F CB 2.100 41.132 39.000 0.053 0.000 1.227 226 F HN 0.202 nan 8.300 nan 0.000 0.478 227 G N 0.955 109.902 108.800 0.245 0.000 2.465 227 G HA2 0.135 4.100 3.960 0.008 0.000 0.681 227 G HA3 0.135 4.100 3.960 0.008 0.000 0.681 227 G C -2.058 172.896 174.900 0.090 0.000 1.340 227 G CA -1.326 43.856 45.100 0.138 0.000 0.884 227 G HN 0.651 nan 8.290 nan 0.000 0.650 228 L N 1.352 122.616 121.223 0.067 0.000 2.309 228 L HA 0.644 4.988 4.340 0.008 0.000 0.282 228 L C 1.425 178.359 176.870 0.106 0.000 1.036 228 L CA -0.602 54.285 54.840 0.078 0.000 0.806 228 L CB 1.688 43.794 42.059 0.079 0.000 1.220 228 L HN 0.941 nan 8.230 nan 0.000 0.429 229 S N 1.632 117.415 115.700 0.138 0.000 2.589 229 S HA 0.251 4.726 4.470 0.008 0.000 0.265 229 S C 1.232 175.993 174.600 0.268 0.000 1.342 229 S CA -0.043 58.288 58.200 0.218 0.000 1.005 229 S CB 1.482 64.811 63.200 0.214 0.000 0.909 229 S HN 0.727 nan 8.310 nan 0.000 0.555 230 A N 1.569 124.597 122.820 0.347 0.000 1.940 230 A HA -0.075 4.250 4.320 0.008 0.000 0.219 230 A C 2.500 180.201 177.584 0.196 0.000 1.176 230 A CA 2.167 54.401 52.037 0.328 0.000 0.631 230 A CB -1.590 17.532 19.000 0.203 0.000 0.814 230 A HN 1.069 nan 8.150 nan 0.000 0.446 231 S N -0.834 114.966 115.700 0.167 0.000 2.368 231 S HA -0.208 4.267 4.470 0.008 0.000 0.224 231 S C 2.104 176.769 174.600 0.110 0.000 1.029 231 S CA 1.593 59.864 58.200 0.118 0.000 0.988 231 S CB -0.368 62.901 63.200 0.117 0.000 0.838 231 S HN 0.691 nan 8.310 nan 0.000 0.462 232 Q N 0.124 119.998 119.800 0.122 0.000 2.172 232 Q HA -0.005 4.339 4.340 0.008 0.000 0.200 232 Q C 2.263 178.325 176.000 0.103 0.000 0.964 232 Q CA 1.390 57.252 55.803 0.098 0.000 0.855 232 Q CB -0.237 28.555 28.738 0.091 0.000 0.918 232 Q HN 0.436 nan 8.270 nan 0.000 0.444 233 V N 1.224 121.224 119.914 0.144 0.000 2.332 233 V HA -0.267 3.858 4.120 0.008 0.000 0.248 233 V C 2.096 178.260 176.094 0.117 0.000 1.055 233 V CA 1.610 64.002 62.300 0.154 0.000 1.038 233 V CB -0.448 31.532 31.823 0.261 0.000 0.651 233 V HN 0.359 nan 8.190 nan 0.000 0.450 234 L N -0.024 121.261 121.223 0.104 0.000 2.141 234 L HA -0.120 4.225 4.340 0.008 0.000 0.209 234 L C 2.389 179.293 176.870 0.057 0.000 1.094 234 L CA 1.130 56.012 54.840 0.070 0.000 0.763 234 L CB -0.709 41.382 42.059 0.054 0.000 0.908 234 L HN 0.362 nan 8.230 nan 0.000 0.437 235 N N -0.174 118.561 118.700 0.059 0.000 2.188 235 N HA -0.128 4.616 4.740 0.008 0.000 0.184 235 N C 1.943 177.478 175.510 0.042 0.000 1.018 235 N CA 1.099 54.177 53.050 0.046 0.000 0.858 235 N CB -0.301 38.213 38.487 0.046 0.000 0.989 235 N HN 0.097 nan 8.380 nan 0.000 0.426 236 V N 2.049 121.993 119.914 0.050 0.000 2.255 236 V HA -0.209 3.916 4.120 0.008 0.000 0.247 236 V C 2.305 178.424 176.094 0.042 0.000 1.051 236 V CA 1.137 63.464 62.300 0.044 0.000 1.018 236 V CB -0.371 31.483 31.823 0.052 0.000 0.641 236 V HN 0.173 nan 8.190 nan 0.000 0.445 237 I N 0.087 120.686 120.570 0.048 0.000 2.151 237 I HA -0.238 3.937 4.170 0.008 0.000 0.243 237 I C 2.725 178.860 176.117 0.030 0.000 1.080 237 I CA 2.126 63.450 61.300 0.040 0.000 1.339 237 I CB -1.571 36.453 38.000 0.041 0.000 1.039 237 I HN 0.362 nan 8.210 nan 0.000 0.409 238 S N 0.085 115.803 115.700 0.030 0.000 2.368 238 S HA -0.225 4.250 4.470 0.008 0.000 0.225 238 S C 2.201 176.813 174.600 0.021 0.000 1.030 238 S CA 1.557 59.771 58.200 0.024 0.000 0.999 238 S CB -0.119 63.095 63.200 0.024 0.000 0.844 238 S HN 0.380 nan 8.310 nan 0.000 0.459 239 R N 0.837 121.350 120.500 0.022 0.000 2.092 239 R HA 0.164 4.509 4.340 0.008 0.000 0.231 239 R C 2.089 178.399 176.300 0.016 0.000 1.119 239 R CA 1.433 57.543 56.100 0.018 0.000 0.970 239 R CB -0.628 29.682 30.300 0.017 0.000 0.864 239 R HN 0.467 nan 8.270 nan 0.000 0.440 240 L N 0.049 121.283 121.223 0.019 0.000 2.156 240 L HA -0.017 4.328 4.340 0.008 0.000 0.208 240 L C 2.316 179.196 176.870 0.017 0.000 1.095 240 L CA 1.229 56.080 54.840 0.018 0.000 0.770 240 L CB -0.334 41.739 42.059 0.024 0.000 0.914 240 L HN 0.162 nan 8.230 nan 0.000 0.439 241 K N 0.556 120.966 120.400 0.017 0.000 2.057 241 K HA -0.236 4.089 4.320 0.008 0.000 0.207 241 K C 2.180 178.787 176.600 0.012 0.000 1.049 241 K CA 1.525 57.821 56.287 0.015 0.000 0.931 241 K CB -0.073 32.435 32.500 0.014 0.000 0.714 241 K HN 0.160 nan 8.250 nan 0.000 0.440 242 K N 1.088 121.495 120.400 0.012 0.000 2.097 242 K HA -0.142 4.182 4.320 0.008 0.000 0.206 242 K C 1.213 177.819 176.600 0.009 0.000 1.049 242 K CA 1.366 57.659 56.287 0.010 0.000 0.933 242 K CB 0.194 32.700 32.500 0.011 0.000 0.717 242 K HN -0.013 nan 8.250 nan 0.000 0.442 243 E N 0.876 121.081 120.200 0.009 0.000 2.511 243 E HA -0.069 4.285 4.350 0.008 0.000 0.196 243 E C -0.180 176.425 176.600 0.008 0.000 1.066 243 E CA 0.199 56.604 56.400 0.007 0.000 0.871 243 E CB -0.363 29.341 29.700 0.007 0.000 0.863 243 E HN 0.368 nan 8.360 nan 0.000 0.520 244 N N 0.882 119.587 118.700 0.009 0.000 2.735 244 N HA -0.210 4.535 4.740 0.008 0.000 0.248 244 N C -0.232 175.284 175.510 0.011 0.000 1.083 244 N CA 0.672 53.727 53.050 0.009 0.000 0.703 244 N CB -0.699 37.793 38.487 0.008 0.000 1.005 244 N HN 0.199 nan 8.380 nan 0.000 0.550 245 Q N -0.701 119.107 119.800 0.012 0.000 2.115 245 Q HA 0.192 4.536 4.340 0.008 0.000 0.249 245 Q C 0.915 176.927 176.000 0.020 0.000 0.830 245 Q CA -0.323 55.488 55.803 0.014 0.000 1.104 245 Q CB 0.466 29.210 28.738 0.010 0.000 1.207 245 Q HN 0.361 nan 8.270 nan 0.000 0.464 246 L N 0.780 122.016 121.223 0.022 0.000 2.141 246 L HA -0.109 4.236 4.340 0.008 0.000 0.209 246 L C 1.380 178.272 176.870 0.036 0.000 1.094 246 L CA 1.903 56.760 54.840 0.028 0.000 0.763 246 L CB 0.056 42.129 42.059 0.023 0.000 0.908 246 L HN 0.132 nan 8.230 nan 0.000 0.437 247 D N -0.884 119.536 120.400 0.034 0.000 2.311 247 D HA -0.162 4.482 4.640 0.008 0.000 0.212 247 D C 2.081 178.414 176.300 0.055 0.000 0.972 247 D CA 1.496 55.522 54.000 0.043 0.000 0.887 247 D CB -0.107 40.713 40.800 0.034 0.000 0.915 247 D HN 0.568 nan 8.370 nan 0.000 0.497 248 T N -1.649 112.932 114.554 0.045 0.000 3.072 248 T HA -0.064 4.291 4.350 0.008 0.000 0.266 248 T C 0.880 175.627 174.700 0.080 0.000 1.127 248 T CA -0.174 61.953 62.100 0.046 0.000 1.107 248 T CB -0.071 68.810 68.868 0.021 0.000 0.910 248 T HN -0.022 nan 8.240 nan 0.000 0.513 249 L N 1.661 122.939 121.223 0.091 0.000 2.268 249 L HA 0.446 4.791 4.340 0.008 0.000 0.289 249 L C 0.693 177.665 176.870 0.170 0.000 1.064 249 L CA 0.039 54.953 54.840 0.122 0.000 0.824 249 L CB 0.886 43.002 42.059 0.095 0.000 1.202 249 L HN 0.071 nan 8.230 nan 0.000 0.433 250 Q N 4.301 124.256 119.800 0.259 0.000 2.211 250 Q HA 0.363 4.708 4.340 0.008 0.000 0.242 250 Q C -0.636 175.597 176.000 0.388 0.000 0.825 250 Q CA -0.055 55.961 55.803 0.355 0.000 0.951 250 Q CB 1.266 30.327 28.738 0.537 0.000 1.130 250 Q HN 0.660 nan 8.270 nan 0.000 0.496 251 L N 0.488 121.892 121.223 0.302 0.000 2.431 251 L HA 0.572 4.916 4.340 0.008 0.000 0.266 251 L C -1.506 175.475 176.870 0.185 0.000 0.978 251 L CA -0.978 53.988 54.840 0.209 0.000 0.822 251 L CB 2.090 44.134 42.059 -0.025 0.000 1.310 251 L HN -0.261 nan 8.230 nan 0.000 0.409 252 V N 3.382 123.419 119.914 0.206 0.000 2.435 252 V HA 0.446 4.570 4.120 0.008 0.000 0.290 252 V C -0.970 175.161 176.094 0.062 0.000 1.030 252 V CA -0.411 61.993 62.300 0.173 0.000 0.881 252 V CB 1.569 33.576 31.823 0.306 0.000 0.983 252 V HN 0.817 nan 8.190 nan 0.000 0.445 253 H N 4.771 123.810 119.070 -0.052 0.000 2.637 253 H HA 0.761 5.322 4.556 0.007 0.000 0.363 253 H C -1.111 174.223 175.328 0.011 0.000 1.131 253 H CA -0.727 55.254 56.048 -0.110 0.000 1.183 253 H CB 1.723 31.418 29.762 -0.112 0.000 1.637 253 H HN 0.552 nan 8.280 nan 0.000 0.531 254 F N 1.925 121.473 119.950 -0.670 0.000 2.645 254 F HA 0.498 5.029 4.527 0.006 0.000 0.310 254 F C -1.816 173.745 175.800 -0.397 0.000 1.102 254 F CA -1.039 56.714 58.000 -0.411 0.000 0.952 254 F CB 1.531 40.365 39.000 -0.277 0.000 1.326 254 F HN 0.649 nan 8.300 nan 0.000 0.456 255 H N 2.783 121.761 119.070 -0.152 0.000 2.782 255 H HA 0.534 5.095 4.556 0.007 0.000 0.347 255 H C -0.777 174.607 175.328 0.094 0.000 1.038 255 H CA -0.798 55.167 56.048 -0.138 0.000 1.255 255 H CB 1.625 31.363 29.762 -0.041 0.000 1.623 255 H HN 0.652 nan 8.280 nan 0.000 0.525 256 L N 3.709 124.774 121.223 -0.263 0.000 2.418 256 L HA 0.404 4.749 4.340 0.008 0.000 0.218 256 L C 1.221 177.904 176.870 -0.310 0.000 1.125 256 L CA 1.396 56.145 54.840 -0.152 0.000 0.835 256 L CB -1.032 41.028 42.059 0.000 0.000 0.953 256 L HN 0.997 nan 8.230 nan 0.000 0.454 257 G N -1.464 106.874 108.800 -0.771 0.000 2.392 257 G HA2 -0.005 3.959 3.960 0.008 0.000 0.677 257 G HA3 -0.005 3.959 3.960 0.008 0.000 0.677 257 G C -0.799 174.016 174.900 -0.142 0.000 1.334 257 G CA -0.291 44.598 45.100 -0.351 0.000 0.961 257 G HN 0.076 nan 8.290 nan 0.000 0.616 258 S N -0.667 115.077 115.700 0.074 0.000 2.632 258 S HA 0.537 5.012 4.470 0.008 0.000 0.271 258 S C 0.713 175.381 174.600 0.115 0.000 1.260 258 S CA 1.323 59.620 58.200 0.162 0.000 1.010 258 S CB 1.170 64.489 63.200 0.199 0.000 0.965 258 S HN 2.192 nan 8.310 nan 0.000 0.534 259 Q N 1.481 121.373 119.800 0.153 0.000 2.459 259 Q HA -0.132 4.213 4.340 0.008 0.000 0.322 259 Q C -1.213 174.859 176.000 0.121 0.000 1.427 259 Q CA 0.679 56.566 55.803 0.139 0.000 0.861 259 Q CB -1.463 27.350 28.738 0.124 0.000 1.137 259 Q HN 0.609 nan 8.270 nan 0.000 0.394 260 M N 0.712 120.406 119.600 0.157 0.000 2.143 260 M HA 0.339 4.824 4.480 0.008 0.000 0.348 260 M C 1.271 177.722 176.300 0.253 0.000 1.375 260 M CA 0.715 56.121 55.300 0.177 0.000 1.124 260 M CB 0.424 33.138 32.600 0.189 0.000 1.669 260 M HN 0.454 nan 8.290 nan 0.000 0.469 261 A N 3.859 126.788 122.820 0.182 0.000 2.081 261 A HA 0.035 4.360 4.320 0.008 0.000 0.214 261 A C 0.881 178.616 177.584 0.251 0.000 1.158 261 A CA 0.625 52.764 52.037 0.169 0.000 0.724 261 A CB -0.005 19.044 19.000 0.082 0.000 0.826 261 A HN 0.726 nan 8.150 nan 0.000 0.463 262 N N 0.010 118.849 118.700 0.231 0.000 2.476 262 N HA 0.275 5.019 4.740 0.008 0.000 0.257 262 N C 0.293 175.888 175.510 0.140 0.000 0.970 262 N CA -0.582 52.577 53.050 0.182 0.000 0.938 262 N CB 1.061 39.608 38.487 0.099 0.000 1.144 262 N HN 0.061 nan 8.380 nan 0.000 0.500 263 I N 3.728 124.366 120.570 0.114 0.000 2.423 263 I HA -0.134 4.041 4.170 0.008 0.000 0.254 263 I C 2.133 178.205 176.117 -0.076 0.000 1.151 263 I CA 1.202 62.407 61.300 -0.159 0.000 1.421 263 I CB -0.040 37.858 38.000 -0.169 0.000 1.079 263 I HN 0.551 nan 8.210 nan 0.000 0.431 264 R N 1.085 121.583 120.500 -0.004 0.000 2.081 264 R HA -0.177 4.168 4.340 0.008 0.000 0.235 264 R C 1.787 178.089 176.300 0.003 0.000 1.131 264 R CA 2.109 58.208 56.100 -0.001 0.000 0.960 264 R CB -0.852 29.459 30.300 0.018 0.000 0.856 264 R HN 0.402 nan 8.270 nan 0.000 0.436 265 D N -0.428 119.984 120.400 0.020 0.000 2.178 265 D HA -0.118 4.527 4.640 0.008 0.000 0.201 265 D C 1.870 178.189 176.300 0.032 0.000 0.980 265 D CA 1.350 55.368 54.000 0.030 0.000 0.842 265 D CB -0.088 40.741 40.800 0.048 0.000 0.948 265 D HN 0.147 nan 8.370 nan 0.000 0.472 266 V N 1.089 121.012 119.914 0.014 0.000 2.270 266 V HA -0.222 3.903 4.120 0.008 0.000 0.245 266 V C 2.618 178.713 176.094 0.001 0.000 1.043 266 V CA 1.680 63.993 62.300 0.022 0.000 1.014 266 V CB -0.478 31.314 31.823 -0.051 0.000 0.645 266 V HN 0.107 nan 8.190 nan 0.000 0.447 267 R N 0.431 120.905 120.500 -0.043 0.000 2.081 267 R HA -0.188 4.156 4.340 0.008 0.000 0.235 267 R C 2.143 178.434 176.300 -0.015 0.000 1.131 267 R CA 2.027 58.103 56.100 -0.040 0.000 0.960 267 R CB -0.307 29.963 30.300 -0.050 0.000 0.856 267 R HN 0.518 nan 8.270 nan 0.000 0.436 268 N N -0.127 118.568 118.700 -0.008 0.000 2.166 268 N HA -0.095 4.650 4.740 0.008 0.000 0.186 268 N C 1.610 177.100 175.510 -0.033 0.000 1.019 268 N CA 1.486 54.532 53.050 -0.008 0.000 0.856 268 N CB -0.578 37.910 38.487 0.003 0.000 0.993 268 N HN 0.433 nan 8.380 nan 0.000 0.426 269 G N 0.694 109.467 108.800 -0.045 0.000 2.414 269 G HA2 -0.148 3.817 3.960 0.008 0.000 0.215 269 G HA3 -0.148 3.817 3.960 0.008 0.000 0.215 269 G C 1.688 176.380 174.900 -0.347 0.000 1.188 269 G CA 0.767 45.761 45.100 -0.177 0.000 0.783 269 G HN 0.171 nan 8.290 nan 0.000 0.537 270 V N 1.883 121.752 119.914 -0.076 0.000 2.282 270 V HA -0.309 3.815 4.120 0.008 0.000 0.249 270 V C 2.653 178.783 176.094 0.059 0.000 1.057 270 V CA 2.107 64.458 62.300 0.084 0.000 1.032 270 V CB -0.650 31.287 31.823 0.190 0.000 0.645 270 V HN 0.564 nan 8.190 nan 0.000 0.447 271 N N 0.200 118.911 118.700 0.017 0.000 2.036 271 N HA -0.289 4.456 4.740 0.008 0.000 0.195 271 N C 2.075 177.621 175.510 0.059 0.000 1.037 271 N CA 2.237 55.308 53.050 0.035 0.000 0.855 271 N CB -0.076 38.424 38.487 0.022 0.000 1.033 271 N HN 0.715 nan 8.380 nan 0.000 0.423 272 E N -0.060 120.153 120.200 0.022 0.000 2.072 272 E HA -0.093 4.261 4.350 0.008 0.000 0.191 272 E C 1.786 178.497 176.600 0.186 0.000 0.985 272 E CA 1.267 57.718 56.400 0.085 0.000 0.801 272 E CB 0.078 29.809 29.700 0.052 0.000 0.750 272 E HN 0.362 nan 8.360 nan 0.000 0.452 273 S N 0.597 116.304 115.700 0.011 0.000 2.387 273 S HA -0.040 4.434 4.470 0.008 0.000 0.226 273 S C 2.078 176.949 174.600 0.452 0.000 1.026 273 S CA 0.711 58.959 58.200 0.081 0.000 0.972 273 S CB -0.075 62.846 63.200 -0.466 0.000 0.814 273 S HN 0.451 nan 8.310 nan 0.000 0.477 274 A N 2.133 125.185 122.820 0.386 0.000 1.978 274 A HA -0.132 4.193 4.320 0.008 0.000 0.220 274 A C 2.185 179.897 177.584 0.212 0.000 1.170 274 A CA 1.370 53.525 52.037 0.197 0.000 0.636 274 A CB -0.419 18.575 19.000 -0.010 0.000 0.810 274 A HN 0.421 nan 8.150 nan 0.000 0.448 275 R N -2.048 118.575 120.500 0.205 0.000 2.090 275 R HA 0.021 4.365 4.340 0.008 0.000 0.228 275 R C 1.824 178.175 176.300 0.085 0.000 1.110 275 R CA 1.265 57.440 56.100 0.125 0.000 0.973 275 R CB -0.417 29.966 30.300 0.138 0.000 0.869 275 R HN 0.527 nan 8.270 nan 0.000 0.440 276 F N -0.104 119.892 119.950 0.077 0.000 2.069 276 F HA -0.308 4.223 4.527 0.006 0.000 0.298 276 F C 2.346 178.201 175.800 0.092 0.000 1.113 276 F CA 1.866 59.915 58.000 0.082 0.000 1.214 276 F CB -0.731 38.336 39.000 0.112 0.000 0.978 276 F HN 0.039 nan 8.300 nan 0.000 0.474 277 Y N -0.123 120.347 120.300 0.284 0.000 2.114 277 Y HA -0.359 4.197 4.550 0.010 0.000 0.282 277 Y C 2.415 178.294 175.900 -0.034 0.000 1.165 277 Y CA 1.775 59.978 58.100 0.172 0.000 1.148 277 Y CB -0.949 37.662 38.460 0.253 0.000 0.972 277 Y HN 0.101 nan 8.280 nan 0.000 0.504 278 C N 0.860 120.035 119.300 -0.209 0.000 2.457 278 C HA -0.092 4.373 4.460 0.008 0.000 0.278 278 C C 2.579 177.222 174.990 -0.579 0.000 1.309 278 C CA 0.890 59.530 59.018 -0.631 0.000 1.735 278 C CB -0.841 26.164 27.740 -1.224 0.000 1.992 278 C HN 0.600 nan 8.230 nan 0.000 0.493 279 E N 1.067 121.045 120.200 -0.371 0.000 2.077 279 E HA -0.143 4.211 4.350 0.008 0.000 0.193 279 E C 2.086 178.616 176.600 -0.117 0.000 0.989 279 E CA 1.044 57.345 56.400 -0.166 0.000 0.800 279 E CB -0.462 29.164 29.700 -0.123 0.000 0.746 279 E HN 0.649 nan 8.360 nan 0.000 0.452 280 L N 0.472 121.638 121.223 -0.095 0.000 2.079 280 L HA -0.184 4.161 4.340 0.008 0.000 0.210 280 L C 2.706 179.505 176.870 -0.119 0.000 1.081 280 L CA 1.170 55.975 54.840 -0.058 0.000 0.752 280 L CB -0.330 41.736 42.059 0.011 0.000 0.896 280 L HN 0.042 nan 8.230 nan 0.000 0.433 281 R N -0.885 119.472 120.500 -0.238 0.000 2.075 281 R HA -0.132 4.212 4.340 0.008 0.000 0.232 281 R C 2.284 178.514 176.300 -0.116 0.000 1.126 281 R CA 1.709 57.676 56.100 -0.221 0.000 0.963 281 R CB -0.695 29.392 30.300 -0.356 0.000 0.858 281 R HN 0.224 nan 8.270 nan 0.000 0.435 282 T N 1.384 115.878 114.554 -0.100 0.000 2.802 282 T HA -0.116 4.239 4.350 0.008 0.000 0.269 282 T C 1.240 175.929 174.700 -0.019 0.000 1.062 282 T CA 1.094 63.177 62.100 -0.028 0.000 1.133 282 T CB -0.038 68.838 68.868 0.012 0.000 0.852 282 T HN 0.142 nan 8.240 nan 0.000 0.485 283 L N 0.023 121.229 121.223 -0.028 0.000 2.848 283 L HA 0.352 4.696 4.340 0.008 0.000 0.240 283 L C 1.651 178.514 176.870 -0.012 0.000 1.232 283 L CA 0.092 54.924 54.840 -0.013 0.000 1.031 283 L CB -0.095 41.960 42.059 -0.006 0.000 1.338 283 L HN 0.358 nan 8.230 nan 0.000 0.509 284 G N 0.236 109.023 108.800 -0.021 0.000 2.162 284 G HA2 -0.299 3.665 3.960 0.008 0.000 0.260 284 G HA3 -0.299 3.665 3.960 0.008 0.000 0.260 284 G C 0.434 175.326 174.900 -0.014 0.000 0.976 284 G CA 0.131 45.222 45.100 -0.015 0.000 0.655 284 G HN 0.547 nan 8.290 nan 0.000 0.533 285 A N -0.216 122.590 122.820 -0.023 0.000 2.388 285 A HA 0.636 4.961 4.320 0.008 0.000 0.257 285 A C 0.441 178.008 177.584 -0.028 0.000 1.095 285 A CA 0.314 52.345 52.037 -0.011 0.000 0.791 285 A CB 0.464 19.465 19.000 0.002 0.000 1.029 285 A HN 0.606 nan 8.150 nan 0.000 0.489 286 N N 2.344 121.048 118.700 0.007 0.000 3.091 286 N HA 0.241 4.986 4.740 0.008 0.000 0.255 286 N C -0.823 174.720 175.510 0.056 0.000 1.204 286 N CA -0.353 52.705 53.050 0.013 0.000 0.990 286 N CB -0.125 38.377 38.487 0.026 0.000 1.260 286 N HN 0.452 nan 8.380 nan 0.000 0.502 287 I N 1.402 122.002 120.570 0.051 0.000 2.371 287 I HA 0.129 4.304 4.170 0.008 0.000 0.290 287 I C 1.283 177.534 176.117 0.223 0.000 1.028 287 I CA 0.077 61.480 61.300 0.173 0.000 1.345 287 I CB 1.050 39.193 38.000 0.237 0.000 1.407 287 I HN 0.322 nan 8.210 nan 0.000 0.501 288 T N 5.177 119.820 114.554 0.148 0.000 3.034 288 T HA 0.140 4.495 4.350 0.008 0.000 0.248 288 T C -0.102 174.444 174.700 -0.258 0.000 1.040 288 T CA 0.734 62.778 62.100 -0.092 0.000 1.107 288 T CB 0.102 68.789 68.868 -0.302 0.000 0.932 288 T HN 0.327 nan 8.240 nan 0.000 0.474 289 Y N 0.076 120.455 120.300 0.131 0.000 2.485 289 Y HA 0.604 5.158 4.550 0.007 0.000 0.345 289 Y C -0.955 175.015 175.900 0.117 0.000 0.998 289 Y CA -2.047 56.071 58.100 0.031 0.000 1.059 289 Y CB 1.420 39.761 38.460 -0.199 0.000 1.234 289 Y HN 0.049 nan 8.280 nan 0.000 0.461 290 F N 3.423 123.416 119.950 0.072 0.000 2.659 290 F HA 0.356 4.887 4.527 0.006 0.000 0.342 290 F C -1.355 174.441 175.800 -0.007 0.000 1.168 290 F CA -0.750 57.258 58.000 0.013 0.000 1.003 290 F CB 0.744 39.670 39.000 -0.124 0.000 1.267 290 F HN 0.441 nan 8.300 nan 0.000 0.463 291 D N 5.032 125.241 120.400 -0.319 0.000 2.381 291 D HA 0.247 4.892 4.640 0.008 0.000 0.235 291 D C 0.503 176.374 176.300 -0.714 0.000 1.068 291 D CA -0.275 53.531 54.000 -0.323 0.000 0.832 291 D CB 2.015 42.743 40.800 -0.120 0.000 1.101 291 D HN 0.412 nan 8.370 nan 0.000 0.515 292 V N 1.921 121.439 119.914 -0.661 0.000 3.647 292 V HA 0.495 4.619 4.120 0.008 0.000 0.279 292 V C 1.158 176.723 176.094 -0.883 0.000 1.314 292 V CA 0.721 62.374 62.300 -1.079 0.000 1.125 292 V CB -0.787 30.816 31.823 -0.368 0.000 0.907 292 V HN 0.780 nan 8.190 nan 0.000 0.434 293 G N 0.094 108.577 108.800 -0.529 0.000 2.593 293 G HA2 0.112 4.077 3.960 0.008 0.000 0.237 293 G HA3 0.112 4.077 3.960 0.008 0.000 0.237 293 G C 0.290 175.224 174.900 0.057 0.000 1.312 293 G CA -0.091 44.882 45.100 -0.212 0.000 0.896 293 G HN 1.364 nan 8.290 nan 0.000 0.574 294 G N -2.601 106.385 108.800 0.309 0.000 2.641 294 G HA2 0.722 4.686 3.960 0.008 0.000 0.239 294 G HA3 0.722 4.686 3.960 0.008 0.000 0.239 294 G C 1.355 176.402 174.900 0.245 0.000 1.402 294 G CA 1.229 46.499 45.100 0.283 0.000 1.046 294 G HN 2.572 nan 8.290 nan 0.000 0.565 295 G N -1.853 107.078 108.800 0.218 0.000 2.391 295 G HA2 -0.075 3.889 3.960 0.008 0.000 0.204 295 G HA3 -0.075 3.889 3.960 0.008 0.000 0.204 295 G C 0.418 175.410 174.900 0.153 0.000 1.012 295 G CA 0.271 45.472 45.100 0.168 0.000 0.651 295 G HN 1.381 nan 8.290 nan 0.000 0.494 296 L N 2.985 124.233 121.223 0.042 0.000 2.597 296 L HA 0.681 5.026 4.340 0.008 0.000 0.271 296 L C 0.868 177.726 176.870 -0.020 0.000 1.157 296 L CA 0.300 55.004 54.840 -0.227 0.000 0.928 296 L CB -0.136 41.601 42.059 -0.536 0.000 1.216 296 L HN 0.969 nan 8.230 nan 0.000 0.481 297 A N 6.008 128.844 122.820 0.028 0.000 2.272 297 A HA 0.633 4.958 4.320 0.008 0.000 0.275 297 A C -0.176 177.374 177.584 -0.056 0.000 1.096 297 A CA -0.570 51.479 52.037 0.019 0.000 0.822 297 A CB 0.381 19.380 19.000 -0.003 0.000 1.088 297 A HN 0.665 nan 8.150 nan 0.000 0.495 298 I N 0.769 121.302 120.570 -0.063 0.000 2.474 298 I HA 0.210 4.384 4.170 0.008 0.000 0.294 298 I C -0.775 175.164 176.117 -0.296 0.000 1.005 298 I CA -0.363 60.800 61.300 -0.228 0.000 1.113 298 I CB 1.689 39.396 38.000 -0.489 0.000 1.289 298 I HN 0.656 nan 8.210 nan 0.000 0.436 299 D N 5.493 125.768 120.400 -0.208 0.000 2.483 299 D HA 0.089 4.734 4.640 0.008 0.000 0.220 299 D C 0.693 176.932 176.300 -0.103 0.000 1.173 299 D CA 0.004 53.941 54.000 -0.105 0.000 0.964 299 D CB 0.220 40.997 40.800 -0.038 0.000 1.046 299 D HN 0.277 nan 8.370 nan 0.000 0.517 300 Y N 1.153 121.433 120.300 -0.034 0.000 2.352 300 Y HA -0.089 4.465 4.550 0.008 0.000 0.292 300 Y C 1.786 177.611 175.900 -0.125 0.000 1.136 300 Y CA 1.110 59.145 58.100 -0.107 0.000 1.227 300 Y CB 0.200 38.527 38.460 -0.222 0.000 0.991 300 Y HN 0.395 nan 8.280 nan 0.000 0.545 301 D N -2.743 117.705 120.400 0.080 0.000 2.433 301 D HA 0.187 4.832 4.640 0.008 0.000 0.211 301 D C 1.730 178.118 176.300 0.147 0.000 1.114 301 D CA 0.575 54.607 54.000 0.054 0.000 0.837 301 D CB 0.032 40.843 40.800 0.019 0.000 0.984 301 D HN 0.182 nan 8.370 nan 0.000 0.505 302 G N 0.453 109.363 108.800 0.182 0.000 2.184 302 G HA2 -0.369 3.596 3.960 0.008 0.000 0.264 302 G HA3 -0.369 3.596 3.960 0.008 0.000 0.264 302 G C 1.176 176.111 174.900 0.058 0.000 0.975 302 G CA 1.127 46.358 45.100 0.217 0.000 0.642 302 G HN 0.641 nan 8.290 nan 0.000 0.536 303 T N -2.501 112.066 114.554 0.022 0.000 3.081 303 T HA 0.298 4.652 4.350 0.008 0.000 0.255 303 T C 1.208 175.866 174.700 -0.069 0.000 1.113 303 T CA 1.065 63.142 62.100 -0.040 0.000 1.082 303 T CB 0.060 68.920 68.868 -0.014 0.000 0.939 303 T HN 0.969 nan 8.240 nan 0.000 0.506 304 R N 1.486 121.950 120.500 -0.060 0.000 3.322 304 R HA -0.174 4.171 4.340 0.008 0.000 0.253 304 R C -0.553 175.715 176.300 -0.052 0.000 0.987 304 R CA 0.668 56.724 56.100 -0.075 0.000 0.666 304 R CB -1.860 28.387 30.300 -0.088 0.000 1.072 304 R HN 0.784 nan 8.270 nan 0.000 0.447 305 S N -1.197 114.480 115.700 -0.037 0.000 2.648 305 S HA 0.272 4.747 4.470 0.008 0.000 0.305 305 S C -0.093 174.505 174.600 -0.003 0.000 1.094 305 S CA -0.969 57.221 58.200 -0.017 0.000 0.983 305 S CB 2.011 65.201 63.200 -0.016 0.000 1.101 305 S HN 0.356 nan 8.310 nan 0.000 0.514 306 Q N 1.480 121.289 119.800 0.014 0.000 2.553 306 Q HA 0.433 4.777 4.340 0.008 0.000 0.221 306 Q C -0.971 175.038 176.000 0.016 0.000 1.219 306 Q CA -0.145 55.676 55.803 0.030 0.000 0.955 306 Q CB -0.263 28.500 28.738 0.042 0.000 1.399 306 Q HN 0.790 nan 8.270 nan 0.000 0.551 307 S N 0.319 116.024 115.700 0.009 0.000 2.638 307 S HA 0.230 4.705 4.470 0.008 0.000 0.274 307 S C 0.725 175.322 174.600 -0.005 0.000 1.157 307 S CA -0.460 57.739 58.200 -0.003 0.000 0.826 307 S CB 1.348 64.540 63.200 -0.014 0.000 1.139 307 S HN 0.582 nan 8.310 nan 0.000 0.474 308 S N 1.311 116.997 115.700 -0.024 0.000 2.383 308 S HA -0.200 4.274 4.470 0.008 0.000 0.229 308 S C 0.799 175.375 174.600 -0.039 0.000 1.030 308 S CA 1.736 59.913 58.200 -0.038 0.000 1.002 308 S CB -0.862 62.297 63.200 -0.068 0.000 0.829 308 S HN 0.763 nan 8.310 nan 0.000 0.467 309 N N 0.849 119.523 118.700 -0.042 0.000 2.314 309 N HA 0.332 5.077 4.740 0.008 0.000 0.200 309 N C 0.077 175.642 175.510 0.092 0.000 1.135 309 N CA 0.109 53.152 53.050 -0.011 0.000 0.835 309 N CB 0.544 38.978 38.487 -0.088 0.000 0.989 309 N HN 0.350 nan 8.380 nan 0.000 0.478 310 S N -0.249 115.478 115.700 0.046 0.000 2.757 310 S HA 0.756 5.231 4.470 0.008 0.000 0.285 310 S C -2.154 172.421 174.600 -0.041 0.000 1.196 310 S CA -0.718 57.486 58.200 0.006 0.000 0.856 310 S CB 0.713 63.909 63.200 -0.006 0.000 1.212 310 S HN -0.004 nan 8.310 nan 0.000 0.516 311 M N 2.312 121.840 119.600 -0.119 0.000 2.520 311 M HA 0.481 4.966 4.480 0.008 0.000 0.283 311 M C -0.297 175.914 176.300 -0.149 0.000 1.237 311 M CA -0.966 54.227 55.300 -0.178 0.000 0.885 311 M CB 0.251 32.545 32.600 -0.510 0.000 1.727 311 M HN 0.520 nan 8.290 nan 0.000 0.468 312 N N 0.070 118.777 118.700 0.012 0.000 2.434 312 N HA 0.096 4.841 4.740 0.008 0.000 0.196 312 N C -0.754 174.843 175.510 0.146 0.000 1.183 312 N CA 0.188 53.283 53.050 0.075 0.000 0.849 312 N CB -0.764 37.794 38.487 0.119 0.000 0.992 312 N HN 0.809 nan 8.380 nan 0.000 0.460 313 Y N -3.573 116.744 120.300 0.028 0.000 2.638 313 Y HA 0.872 5.427 4.550 0.008 0.000 0.339 313 Y C 0.417 176.332 175.900 0.026 0.000 1.084 313 Y CA -1.727 56.392 58.100 0.031 0.000 1.068 313 Y CB 0.692 39.188 38.460 0.059 0.000 1.294 313 Y HN -0.069 nan 8.280 nan 0.000 0.480 314 G N 0.350 109.260 108.800 0.184 0.000 2.613 314 G HA2 0.381 4.346 3.960 0.008 0.000 0.303 314 G HA3 0.381 4.346 3.960 0.008 0.000 0.303 314 G C -0.343 174.690 174.900 0.221 0.000 1.312 314 G CA -0.775 44.381 45.100 0.095 0.000 1.036 314 G HN 0.798 nan 8.290 nan 0.000 0.513 315 L N -0.044 121.247 121.223 0.113 0.000 2.027 315 L HA -0.026 4.319 4.340 0.008 0.000 0.206 315 L C 2.878 179.796 176.870 0.081 0.000 1.074 315 L CA 1.627 56.536 54.840 0.115 0.000 0.745 315 L CB -0.404 41.692 42.059 0.061 0.000 0.898 315 L HN 0.260 nan 8.230 nan 0.000 0.433 316 V N -0.413 119.517 119.914 0.028 0.000 2.515 316 V HA -0.245 3.880 4.120 0.008 0.000 0.250 316 V C 2.500 178.559 176.094 -0.059 0.000 1.058 316 V CA 1.742 64.014 62.300 -0.046 0.000 1.064 316 V CB -0.612 31.193 31.823 -0.030 0.000 0.675 316 V HN 0.588 nan 8.190 nan 0.000 0.461 317 E N -0.254 119.966 120.200 0.034 0.000 2.047 317 E HA -0.272 4.082 4.350 0.008 0.000 0.191 317 E C 2.229 178.820 176.600 -0.015 0.000 0.987 317 E CA 1.469 57.888 56.400 0.031 0.000 0.799 317 E CB -0.325 29.446 29.700 0.118 0.000 0.752 317 E HN 0.639 nan 8.360 nan 0.000 0.449 318 Y N 1.044 121.303 120.300 -0.069 0.000 2.102 318 Y HA -0.329 4.226 4.550 0.008 0.000 0.280 318 Y C 2.079 177.799 175.900 -0.300 0.000 1.178 318 Y CA 2.302 60.284 58.100 -0.197 0.000 1.146 318 Y CB -0.671 37.796 38.460 0.013 0.000 0.968 318 Y HN 0.167 nan 8.280 nan 0.000 0.504 319 A N 0.392 122.946 122.820 -0.443 0.000 1.898 319 A HA -0.174 4.150 4.320 0.008 0.000 0.216 319 A C 2.295 179.505 177.584 -0.623 0.000 1.181 319 A CA 1.745 53.175 52.037 -1.012 0.000 0.620 319 A CB -0.645 17.596 19.000 -1.266 0.000 0.819 319 A HN 0.560 nan 8.150 nan 0.000 0.442 320 R N -0.246 120.035 120.500 -0.366 0.000 2.096 320 R HA -0.094 4.251 4.340 0.008 0.000 0.235 320 R C 1.987 178.142 176.300 -0.243 0.000 1.127 320 R CA 1.399 57.352 56.100 -0.244 0.000 0.968 320 R CB -0.361 29.861 30.300 -0.130 0.000 0.861 320 R HN 0.573 nan 8.270 nan 0.000 0.440 321 N N 0.599 119.144 118.700 -0.259 0.000 2.188 321 N HA -0.106 4.639 4.740 0.008 0.000 0.184 321 N C 1.876 177.242 175.510 -0.239 0.000 1.018 321 N CA 1.114 54.029 53.050 -0.225 0.000 0.858 321 N CB 0.005 38.350 38.487 -0.236 0.000 0.989 321 N HN 0.149 nan 8.380 nan 0.000 0.426 322 I N 0.659 121.038 120.570 -0.319 0.000 2.113 322 I HA -0.244 3.930 4.170 0.008 0.000 0.238 322 I C 2.310 178.290 176.117 -0.227 0.000 1.070 322 I CA 0.941 62.118 61.300 -0.205 0.000 1.332 322 I CB -0.324 37.594 38.000 -0.137 0.000 1.044 322 I HN -0.114 nan 8.210 nan 0.000 0.402 323 V N 1.041 120.754 119.914 -0.334 0.000 2.307 323 V HA -0.261 3.864 4.120 0.008 0.000 0.245 323 V C 2.102 177.824 176.094 -0.619 0.000 1.045 323 V CA 2.066 64.044 62.300 -0.537 0.000 1.024 323 V CB -0.903 30.606 31.823 -0.524 0.000 0.651 323 V HN 0.426 nan 8.190 nan 0.000 0.449 324 N N 0.137 118.533 118.700 -0.506 0.000 2.166 324 N HA -0.131 4.613 4.740 0.008 0.000 0.186 324 N C 1.868 177.202 175.510 -0.293 0.000 1.019 324 N CA 1.896 54.643 53.050 -0.505 0.000 0.856 324 N CB -0.691 37.707 38.487 -0.148 0.000 0.993 324 N HN 0.487 nan 8.380 nan 0.000 0.426 325 T N 0.256 114.691 114.554 -0.198 0.000 2.701 325 T HA -0.031 4.323 4.350 0.008 0.000 0.263 325 T C 2.143 176.777 174.700 -0.110 0.000 1.040 325 T CA 0.898 62.936 62.100 -0.104 0.000 1.147 325 T CB -0.521 68.307 68.868 -0.067 0.000 0.865 325 T HN -0.048 nan 8.240 nan 0.000 0.426 326 V N 1.664 121.469 119.914 -0.182 0.000 2.287 326 V HA -0.145 3.979 4.120 0.008 0.000 0.248 326 V C 2.900 178.938 176.094 -0.094 0.000 1.053 326 V CA 2.090 64.247 62.300 -0.239 0.000 1.027 326 V CB -1.483 30.102 31.823 -0.397 0.000 0.646 326 V HN 0.621 nan 8.190 nan 0.000 0.447 327 G N -0.289 108.462 108.800 -0.082 0.000 2.459 327 G HA2 -0.293 3.672 3.960 0.008 0.000 0.217 327 G HA3 -0.293 3.672 3.960 0.008 0.000 0.217 327 G C 1.249 176.251 174.900 0.170 0.000 1.183 327 G CA 1.206 46.336 45.100 0.049 0.000 0.776 327 G HN 0.509 nan 8.290 nan 0.000 0.552 328 D N 0.025 120.505 120.400 0.134 0.000 2.117 328 D HA -0.080 4.565 4.640 0.008 0.000 0.197 328 D C 2.771 179.149 176.300 0.131 0.000 0.987 328 D CA 0.716 54.819 54.000 0.172 0.000 0.829 328 D CB -0.474 40.407 40.800 0.134 0.000 0.961 328 D HN 0.207 nan 8.370 nan 0.000 0.460 329 V N 0.416 120.394 119.914 0.107 0.000 2.427 329 V HA -0.242 3.883 4.120 0.008 0.000 0.248 329 V C 2.619 178.847 176.094 0.223 0.000 1.051 329 V CA 1.164 63.560 62.300 0.159 0.000 1.048 329 V CB -0.439 31.456 31.823 0.120 0.000 0.666 329 V HN 0.294 nan 8.190 nan 0.000 0.456 330 C N -0.358 119.030 119.300 0.147 0.000 2.435 330 C HA -0.118 4.347 4.460 0.008 0.000 0.279 330 C C 2.716 177.809 174.990 0.171 0.000 1.321 330 C CA 0.811 59.924 59.018 0.158 0.000 1.752 330 C CB -0.955 26.840 27.740 0.090 0.000 1.959 330 C HN 0.528 nan 8.230 nan 0.000 0.500 331 K N 0.483 120.972 120.400 0.148 0.000 2.155 331 K HA -0.132 4.192 4.320 0.008 0.000 0.203 331 K C 1.445 178.107 176.600 0.103 0.000 1.052 331 K CA 1.431 57.786 56.287 0.114 0.000 0.948 331 K CB -0.198 32.366 32.500 0.107 0.000 0.728 331 K HN 0.417 nan 8.250 nan 0.000 0.448 332 D N -0.450 120.025 120.400 0.126 0.000 2.178 332 D HA -0.117 4.528 4.640 0.008 0.000 0.202 332 D C 0.895 177.196 176.300 0.001 0.000 0.974 332 D CA 1.036 55.069 54.000 0.055 0.000 0.841 332 D CB 0.144 40.959 40.800 0.025 0.000 0.953 332 D HN 0.201 nan 8.370 nan 0.000 0.478 333 Y N 0.503 120.817 120.300 0.024 0.000 2.490 333 Y HA 0.127 4.682 4.550 0.008 0.000 0.281 333 Y C 0.258 176.164 175.900 0.011 0.000 1.174 333 Y CA 0.027 58.136 58.100 0.014 0.000 1.295 333 Y CB 0.301 38.772 38.460 0.018 0.000 1.062 333 Y HN -0.268 nan 8.280 nan 0.000 0.522 334 K N 1.487 121.975 120.400 0.147 0.000 3.419 334 K HA -0.237 4.087 4.320 0.008 0.000 0.272 334 K C -0.715 175.946 176.600 0.100 0.000 0.973 334 K CA 0.622 56.965 56.287 0.092 0.000 0.749 334 K CB -1.701 30.830 32.500 0.053 0.000 1.403 334 K HN 0.537 nan 8.250 nan 0.000 0.456 335 Q N -0.129 119.741 119.800 0.117 0.000 2.416 335 Q HA 0.485 4.830 4.340 0.008 0.000 0.279 335 Q C -2.257 173.780 176.000 0.062 0.000 1.101 335 Q CA -1.994 53.859 55.803 0.083 0.000 0.830 335 Q CB 2.269 31.053 28.738 0.076 0.000 1.402 335 Q HN 0.041 nan 8.270 nan 0.000 0.445 336 P HA 0.143 nan 4.420 nan 0.000 0.275 336 P C -0.957 176.375 177.300 0.054 0.000 1.227 336 P CA -0.213 62.903 63.100 0.027 0.000 0.781 336 P CB 0.537 32.251 31.700 0.023 0.000 0.906 337 M N 4.676 124.226 119.600 -0.084 0.000 2.217 337 M HA 0.305 4.789 4.480 0.008 0.000 0.354 337 M C -1.856 174.371 176.300 -0.122 0.000 1.225 337 M CA -1.596 53.584 55.300 -0.199 0.000 1.137 337 M CB -0.087 32.116 32.600 -0.661 0.000 1.576 337 M HN 0.283 nan 8.290 nan 0.000 0.461 338 P HA 0.268 nan 4.420 nan 0.000 0.280 338 P C -0.898 176.433 177.300 0.051 0.000 1.272 338 P CA -0.645 62.411 63.100 -0.074 0.000 0.819 338 P CB 0.570 32.098 31.700 -0.287 0.000 1.122 339 V N 1.859 121.768 119.914 -0.008 0.000 2.585 339 V HA 0.022 4.147 4.120 0.008 0.000 0.296 339 V C 0.899 177.081 176.094 0.147 0.000 1.035 339 V CA 0.308 62.648 62.300 0.067 0.000 1.084 339 V CB -0.492 31.307 31.823 -0.040 0.000 0.953 339 V HN 0.298 nan 8.190 nan 0.000 0.483 340 I N 6.116 126.781 120.570 0.160 0.000 2.353 340 I HA 0.446 4.621 4.170 0.008 0.000 0.293 340 I C -0.144 175.971 176.117 -0.004 0.000 0.992 340 I CA -0.148 61.246 61.300 0.157 0.000 1.268 340 I CB 1.260 39.355 38.000 0.157 0.000 1.387 340 I HN 0.432 nan 8.210 nan 0.000 0.478 341 I N 5.131 125.677 120.570 -0.041 0.000 2.474 341 I HA 0.334 4.509 4.170 0.008 0.000 0.294 341 I C -0.100 175.942 176.117 -0.126 0.000 1.005 341 I CA -0.312 60.860 61.300 -0.213 0.000 1.113 341 I CB 2.176 40.066 38.000 -0.182 0.000 1.289 341 I HN 0.600 nan 8.210 nan 0.000 0.436 342 S N 3.438 119.077 115.700 -0.101 0.000 2.536 342 S HA 0.507 4.982 4.470 0.008 0.000 0.298 342 S C -0.669 173.945 174.600 0.022 0.000 1.083 342 S CA -0.842 57.382 58.200 0.040 0.000 0.995 342 S CB 1.862 65.214 63.200 0.254 0.000 1.058 342 S HN 0.605 nan 8.310 nan 0.000 0.488 343 E N 1.684 121.903 120.200 0.032 0.000 2.490 343 E HA 0.278 4.632 4.350 0.008 0.000 0.232 343 E C -0.821 175.826 176.600 0.078 0.000 1.091 343 E CA -0.371 56.042 56.400 0.022 0.000 1.050 343 E CB 0.718 30.400 29.700 -0.030 0.000 1.342 343 E HN 0.560 nan 8.360 nan 0.000 0.454 344 S N 1.131 116.913 115.700 0.137 0.000 3.700 344 S HA 0.123 4.597 4.470 0.008 0.000 0.192 344 S C 1.392 176.097 174.600 0.176 0.000 1.430 344 S CA -0.525 57.772 58.200 0.161 0.000 0.999 344 S CB 0.842 64.156 63.200 0.191 0.000 1.411 344 S HN 0.648 nan 8.310 nan 0.000 0.491 345 G N 2.585 111.465 108.800 0.134 0.000 2.459 345 G HA2 -0.241 3.724 3.960 0.008 0.000 0.217 345 G HA3 -0.241 3.724 3.960 0.008 0.000 0.217 345 G C 1.441 176.442 174.900 0.169 0.000 1.183 345 G CA 0.531 45.724 45.100 0.156 0.000 0.776 345 G HN 0.538 nan 8.290 nan 0.000 0.552 346 R N 0.314 120.894 120.500 0.134 0.000 2.073 346 R HA -0.081 4.263 4.340 0.008 0.000 0.234 346 R C 2.717 179.124 176.300 0.180 0.000 1.134 346 R CA 1.878 58.078 56.100 0.168 0.000 0.952 346 R CB -0.514 29.944 30.300 0.264 0.000 0.850 346 R HN 0.390 nan 8.270 nan 0.000 0.433 347 S N 0.151 115.947 115.700 0.159 0.000 2.423 347 S HA -0.029 4.445 4.470 0.008 0.000 0.231 347 S C 1.954 176.664 174.600 0.184 0.000 1.014 347 S CA 0.626 58.919 58.200 0.155 0.000 0.965 347 S CB -0.096 63.166 63.200 0.104 0.000 0.785 347 S HN 0.402 nan 8.310 nan 0.000 0.495 348 L N 0.993 122.317 121.223 0.167 0.000 2.217 348 L HA 0.005 4.349 4.340 0.008 0.000 0.211 348 L C 2.595 179.521 176.870 0.093 0.000 1.107 348 L CA 1.605 56.514 54.840 0.115 0.000 0.783 348 L CB -0.448 41.659 42.059 0.080 0.000 0.919 348 L HN 0.585 nan 8.230 nan 0.000 0.442 349 T N -5.466 109.182 114.554 0.158 0.000 2.959 349 T HA 0.251 4.606 4.350 0.008 0.000 0.254 349 T C 1.786 176.709 174.700 0.372 0.000 1.003 349 T CA 0.408 62.622 62.100 0.190 0.000 0.950 349 T CB 0.325 69.286 68.868 0.154 0.000 1.090 349 T HN 0.124 nan 8.240 nan 0.000 0.503 350 A N 1.938 124.934 122.820 0.294 0.000 1.883 350 A HA -0.128 4.197 4.320 0.008 0.000 0.217 350 A C 2.064 179.795 177.584 0.245 0.000 1.186 350 A CA 1.909 54.098 52.037 0.253 0.000 0.624 350 A CB -1.137 17.941 19.000 0.130 0.000 0.822 350 A HN 0.660 nan 8.150 nan 0.000 0.444 351 H N -1.005 118.254 119.070 0.314 0.000 2.428 351 H HA -0.093 4.467 4.556 0.008 0.000 0.296 351 H C 1.963 177.515 175.328 0.374 0.000 1.062 351 H CA 1.416 57.700 56.048 0.394 0.000 1.350 351 H CB -0.190 29.809 29.762 0.396 0.000 1.403 351 H HN 0.857 nan 8.280 nan 0.000 0.533 352 H N -0.231 118.998 119.070 0.265 0.000 2.545 352 H HA 0.194 4.755 4.556 0.008 0.000 0.282 352 H C 0.071 175.603 175.328 0.340 0.000 1.020 352 H CA 0.839 57.019 56.048 0.219 0.000 1.243 352 H CB -0.039 29.767 29.762 0.073 0.000 1.377 352 H HN 0.280 nan 8.280 nan 0.000 0.581 353 A N 1.122 123.829 122.820 -0.189 0.000 2.371 353 A HA 0.594 4.919 4.320 0.008 0.000 0.311 353 A C -1.032 176.514 177.584 -0.064 0.000 1.068 353 A CA -0.616 51.247 52.037 -0.290 0.000 0.744 353 A CB 2.278 20.941 19.000 -0.562 0.000 1.239 353 A HN 0.119 nan 8.150 nan 0.000 0.435 354 V N 2.568 122.432 119.914 -0.082 0.000 2.588 354 V HA 0.454 4.578 4.120 0.008 0.000 0.304 354 V C -0.718 175.230 176.094 -0.243 0.000 1.042 354 V CA -0.502 61.653 62.300 -0.242 0.000 0.877 354 V CB 1.553 33.183 31.823 -0.321 0.000 0.996 354 V HN 0.867 nan 8.190 nan 0.000 0.425 355 L N 6.500 127.559 121.223 -0.274 0.000 2.264 355 L HA 0.648 4.993 4.340 0.008 0.000 0.289 355 L C -0.631 176.134 176.870 -0.175 0.000 1.044 355 L CA 0.470 55.167 54.840 -0.237 0.000 0.807 355 L CB 0.642 42.494 42.059 -0.344 0.000 1.192 355 L HN 0.548 nan 8.230 nan 0.000 0.425 356 I N 4.548 125.036 120.570 -0.136 0.000 2.433 356 I HA 0.559 4.733 4.170 0.008 0.000 0.292 356 I C 0.004 176.090 176.117 -0.052 0.000 1.001 356 I CA -0.223 61.033 61.300 -0.074 0.000 1.119 356 I CB 1.846 39.819 38.000 -0.045 0.000 1.289 356 I HN 0.674 nan 8.210 nan 0.000 0.438 357 S N 4.148 119.845 115.700 -0.005 0.000 2.688 357 S HA 0.498 4.973 4.470 0.008 0.000 0.275 357 S C -1.420 173.233 174.600 0.089 0.000 1.175 357 S CA -0.860 57.349 58.200 0.014 0.000 0.818 357 S CB 1.872 65.041 63.200 -0.051 0.000 1.157 357 S HN 0.823 nan 8.310 nan 0.000 0.482 358 N N -0.195 118.574 118.700 0.113 0.000 2.443 358 N HA 0.638 5.383 4.740 0.008 0.000 0.293 358 N C -1.288 174.326 175.510 0.173 0.000 1.159 358 N CA -0.864 52.286 53.050 0.167 0.000 0.904 358 N CB 1.310 39.897 38.487 0.168 0.000 1.214 358 N HN 0.237 nan 8.380 nan 0.000 0.513 359 V N 1.772 121.802 119.914 0.195 0.000 2.348 359 V HA 0.140 4.265 4.120 0.008 0.000 0.270 359 V C 1.065 177.239 176.094 0.133 0.000 1.037 359 V CA -0.571 61.760 62.300 0.053 0.000 0.872 359 V CB 0.278 31.924 31.823 -0.295 0.000 1.002 359 V HN 0.763 nan 8.190 nan 0.000 0.464 360 I N 1.886 122.506 120.570 0.084 0.000 3.968 360 I HA 0.690 4.864 4.170 0.008 0.000 0.328 360 I C 0.769 176.913 176.117 0.045 0.000 1.290 360 I CA 0.226 61.615 61.300 0.149 0.000 1.163 360 I CB 0.408 38.485 38.000 0.129 0.000 1.024 360 I HN 0.581 nan 8.210 nan 0.000 0.413 361 G N 0.605 109.256 108.800 -0.248 0.000 2.623 361 G HA2 0.578 4.543 3.960 0.008 0.000 0.290 361 G HA3 0.578 4.543 3.960 0.008 0.000 0.290 361 G C -1.126 173.371 174.900 -0.672 0.000 1.437 361 G CA 0.031 44.811 45.100 -0.533 0.000 0.798 361 G HN 0.216 nan 8.290 nan 0.000 0.488 362 T N -1.938 112.195 114.554 -0.702 0.000 2.883 362 T HA 0.746 5.100 4.350 0.008 0.000 0.296 362 T C -1.460 173.234 174.700 -0.010 0.000 1.117 362 T CA -0.826 61.094 62.100 -0.300 0.000 1.006 362 T CB 2.799 71.368 68.868 -0.499 0.000 1.191 362 T HN 0.321 nan 8.240 nan 0.000 0.508 363 E N 2.131 122.419 120.200 0.147 0.000 2.145 363 E HA 0.480 4.835 4.350 0.008 0.000 0.262 363 E C -0.397 176.273 176.600 0.116 0.000 0.883 363 E CA -0.362 56.118 56.400 0.133 0.000 0.748 363 E CB 1.703 31.514 29.700 0.185 0.000 1.140 363 E HN 0.925 nan 8.360 nan 0.000 0.417 364 T N 0.228 114.847 114.554 0.109 0.000 2.908 364 T HA 0.419 4.773 4.350 0.008 0.000 0.290 364 T C -0.515 174.273 174.700 0.146 0.000 1.034 364 T CA -0.822 61.360 62.100 0.136 0.000 1.010 364 T CB 1.113 70.071 68.868 0.149 0.000 1.068 364 T HN 0.297 nan 8.240 nan 0.000 0.481 365 Y N 2.015 122.357 120.300 0.069 0.000 2.359 365 Y HA 0.489 5.044 4.550 0.008 0.000 0.334 365 Y C 0.222 176.123 175.900 0.000 0.000 1.058 365 Y CA -0.771 57.350 58.100 0.035 0.000 1.244 365 Y CB 0.831 39.322 38.460 0.053 0.000 1.187 365 Y HN 0.875 nan 8.280 nan 0.000 0.510 366 K N 8.840 128.723 120.400 -0.862 0.000 2.293 366 K HA 0.457 4.782 4.320 0.008 0.000 0.267 366 K C -2.865 173.019 176.600 -1.194 0.000 1.010 366 K CA -2.264 53.574 56.287 -0.748 0.000 0.875 366 K CB 0.947 33.252 32.500 -0.325 0.000 1.106 366 K HN 0.411 nan 8.250 nan 0.000 0.450 367 P HA -0.051 nan 4.420 nan 0.000 0.260 367 P C -1.177 175.880 177.300 -0.404 0.000 1.185 367 P CA 0.463 63.082 63.100 -0.801 0.000 0.763 367 P CB 0.494 31.768 31.700 -0.710 0.000 0.776 368 E N 0.617 120.663 120.200 -0.256 0.000 2.256 368 E HA 0.318 4.673 4.350 0.008 0.000 0.267 368 E C -0.008 176.519 176.600 -0.121 0.000 0.892 368 E CA -0.884 55.427 56.400 -0.149 0.000 0.775 368 E CB 1.460 31.089 29.700 -0.119 0.000 1.207 368 E HN 0.365 nan 8.360 nan 0.000 0.420 369 T N -0.860 113.657 114.554 -0.062 0.000 2.919 369 T HA 0.162 4.517 4.350 0.008 0.000 0.302 369 T C 0.171 174.810 174.700 -0.101 0.000 1.031 369 T CA -0.720 61.363 62.100 -0.027 0.000 1.127 369 T CB 0.429 69.343 68.868 0.078 0.000 0.952 369 T HN 0.103 nan 8.240 nan 0.000 0.540 370 V N 5.696 125.480 119.914 -0.217 0.000 2.470 370 V HA 0.292 4.417 4.120 0.008 0.000 0.276 370 V C 1.359 177.566 176.094 0.189 0.000 1.040 370 V CA -0.419 61.733 62.300 -0.248 0.000 1.008 370 V CB 0.322 31.715 31.823 -0.717 0.000 0.990 370 V HN 1.173 nan 8.190 nan 0.000 0.477 371 T N 1.807 116.488 114.554 0.212 0.000 2.897 371 T HA 0.334 4.689 4.350 0.008 0.000 0.294 371 T C -0.024 174.735 174.700 0.099 0.000 1.004 371 T CA -0.674 61.562 62.100 0.226 0.000 1.106 371 T CB 1.099 70.089 68.868 0.203 0.000 0.949 371 T HN 0.782 nan 8.240 nan 0.000 0.520 372 E N 3.444 123.369 120.200 -0.459 0.000 2.414 372 E HA 0.111 4.466 4.350 0.008 0.000 0.263 372 E C -1.926 174.151 176.600 -0.872 0.000 1.000 372 E CA -1.761 53.881 56.400 -1.263 0.000 0.914 372 E CB 0.320 29.501 29.700 -0.864 0.000 0.948 372 E HN 0.454 nan 8.360 nan 0.000 0.444 373 P HA -0.057 nan 4.420 nan 0.000 0.266 373 P C -0.675 175.922 177.300 -1.171 0.000 1.195 373 P CA 0.344 62.696 63.100 -1.248 0.000 0.768 373 P CB 0.507 31.740 31.700 -0.777 0.000 0.838 374 E N 2.355 121.556 120.200 -1.665 0.000 2.408 374 E HA -0.028 4.327 4.350 0.008 0.000 0.259 374 E C 1.148 177.401 176.600 -0.579 0.000 1.110 374 E CA -0.021 55.831 56.400 -0.914 0.000 0.929 374 E CB 0.580 29.834 29.700 -0.744 0.000 0.971 374 E HN 0.467 nan 8.360 nan 0.000 0.438 375 E N 0.804 120.821 120.200 -0.306 0.000 2.204 375 E HA -0.188 4.167 4.350 0.008 0.000 0.195 375 E C 1.285 177.841 176.600 -0.073 0.000 0.990 375 E CA 1.081 57.381 56.400 -0.165 0.000 0.821 375 E CB 0.087 29.719 29.700 -0.113 0.000 0.750 375 E HN 0.480 nan 8.360 nan 0.000 0.477 376 D N 0.314 120.701 120.400 -0.021 0.000 2.378 376 D HA -0.137 4.508 4.640 0.008 0.000 0.227 376 D C 0.130 176.559 176.300 0.214 0.000 1.012 376 D CA 0.104 54.164 54.000 0.100 0.000 0.905 376 D CB -0.198 40.685 40.800 0.138 0.000 0.895 376 D HN 0.111 nan 8.370 nan 0.000 0.532 377 F N 1.998 121.851 119.950 -0.162 0.000 2.429 377 F HA 0.232 4.764 4.527 0.008 0.000 0.348 377 F C -1.244 174.404 175.800 -0.253 0.000 1.109 377 F CA -2.240 55.592 58.000 -0.279 0.000 1.232 377 F CB 0.716 39.478 39.000 -0.398 0.000 1.157 377 F HN -0.115 nan 8.300 nan 0.000 0.564 378 P HA 0.042 nan 4.420 nan 0.000 0.272 378 P C 0.732 177.979 177.300 -0.089 0.000 1.240 378 P CA -0.217 62.793 63.100 -0.151 0.000 0.791 378 P CB 1.117 32.684 31.700 -0.222 0.000 0.978 379 L N 0.332 121.529 121.223 -0.043 0.000 2.042 379 L HA -0.210 4.135 4.340 0.008 0.000 0.210 379 L C 2.527 179.404 176.870 0.011 0.000 1.076 379 L CA 1.207 56.045 54.840 -0.003 0.000 0.749 379 L CB -0.655 41.406 42.059 0.005 0.000 0.893 379 L HN 0.335 nan 8.230 nan 0.000 0.432 380 L N -0.481 120.733 121.223 -0.014 0.000 2.012 380 L HA -0.243 4.101 4.340 0.008 0.000 0.210 380 L C 2.217 179.112 176.870 0.043 0.000 1.073 380 L CA 1.832 56.676 54.840 0.008 0.000 0.748 380 L CB -0.372 41.677 42.059 -0.018 0.000 0.891 380 L HN 0.077 nan 8.230 nan 0.000 0.431 381 L N -0.069 121.143 121.223 -0.017 0.000 2.201 381 L HA -0.120 4.224 4.340 0.008 0.000 0.212 381 L C 2.324 179.269 176.870 0.125 0.000 1.105 381 L CA 1.278 56.134 54.840 0.027 0.000 0.775 381 L CB -1.178 40.708 42.059 -0.288 0.000 0.913 381 L HN 0.399 nan 8.230 nan 0.000 0.440 382 N N -0.211 118.550 118.700 0.101 0.000 2.188 382 N HA -0.155 4.589 4.740 0.008 0.000 0.184 382 N C 1.349 177.023 175.510 0.274 0.000 1.018 382 N CA 1.044 54.216 53.050 0.202 0.000 0.858 382 N CB -0.113 38.453 38.487 0.132 0.000 0.989 382 N HN 0.417 nan 8.380 nan 0.000 0.426 383 N N 1.378 120.190 118.700 0.186 0.000 2.120 383 N HA -0.079 4.666 4.740 0.008 0.000 0.188 383 N C 1.829 177.462 175.510 0.205 0.000 1.024 383 N CA 0.931 54.077 53.050 0.161 0.000 0.852 383 N CB -0.294 38.254 38.487 0.102 0.000 1.003 383 N HN 0.351 nan 8.380 nan 0.000 0.424 384 M N -0.749 119.012 119.600 0.268 0.000 2.117 384 M HA -0.143 4.342 4.480 0.008 0.000 0.262 384 M C 2.185 178.754 176.300 0.448 0.000 1.065 384 M CA 1.177 56.665 55.300 0.314 0.000 1.114 384 M CB -0.362 32.456 32.600 0.362 0.000 1.361 384 M HN 0.321 nan 8.290 nan 0.000 0.408 385 W N 2.029 123.576 121.300 0.412 0.000 2.335 385 W HA -0.261 4.404 4.660 0.008 0.000 0.311 385 W C 2.352 179.057 176.519 0.311 0.000 1.213 385 W CA 1.734 59.335 57.345 0.426 0.000 1.274 385 W CB -0.412 29.269 29.460 0.368 0.000 1.148 385 W HN 0.215 nan 8.180 nan 0.000 0.498 386 R N 0.611 121.213 120.500 0.170 0.000 2.092 386 R HA -0.132 4.213 4.340 0.008 0.000 0.231 386 R C 2.511 178.799 176.300 -0.019 0.000 1.119 386 R CA 2.095 58.192 56.100 -0.004 0.000 0.970 386 R CB -0.596 29.747 30.300 0.071 0.000 0.864 386 R HN -0.029 nan 8.270 nan 0.000 0.440 387 S N 0.391 116.130 115.700 0.066 0.000 2.370 387 S HA -0.211 4.264 4.470 0.008 0.000 0.226 387 S C 1.322 175.950 174.600 0.046 0.000 1.033 387 S CA 1.352 59.583 58.200 0.051 0.000 1.011 387 S CB -0.534 62.718 63.200 0.088 0.000 0.852 387 S HN 0.564 nan 8.310 nan 0.000 0.457 388 W N 2.403 123.638 121.300 -0.108 0.000 2.335 388 W HA -0.159 4.506 4.660 0.008 0.000 0.311 388 W C 1.455 177.849 176.519 -0.209 0.000 1.213 388 W CA 1.084 58.340 57.345 -0.149 0.000 1.274 388 W CB -0.419 28.962 29.460 -0.132 0.000 1.148 388 W HN 0.272 nan 8.180 nan 0.000 0.498 389 L N 1.232 122.151 121.223 -0.507 0.000 2.127 389 L HA -0.266 4.079 4.340 0.008 0.000 0.211 389 L C 1.662 178.353 176.870 -0.299 0.000 1.089 389 L CA 1.307 55.826 54.840 -0.534 0.000 0.757 389 L CB -1.199 40.579 42.059 -0.468 0.000 0.899 389 L HN -0.041 nan 8.230 nan 0.000 0.434 390 N N 0.380 118.937 118.700 -0.238 0.000 2.449 390 N HA 0.055 4.800 4.740 0.008 0.000 0.191 390 N C 0.028 175.271 175.510 -0.445 0.000 1.161 390 N CA 0.302 53.223 53.050 -0.215 0.000 0.863 390 N CB 0.266 38.671 38.487 -0.136 0.000 0.980 390 N HN 0.124 nan 8.380 nan 0.000 0.458 391 L N 1.709 122.653 121.223 -0.466 0.000 2.335 391 L HA 0.300 4.644 4.340 0.008 0.000 0.268 391 L C -0.723 175.871 176.870 -0.460 0.000 1.037 391 L CA -0.549 54.014 54.840 -0.462 0.000 0.895 391 L CB -0.205 41.697 42.059 -0.262 0.000 1.266 391 L HN 0.248 nan 8.230 nan 0.000 0.439 392 H N 0.187 119.138 119.070 -0.199 0.000 2.905 392 H HA 0.429 4.989 4.556 0.008 0.000 0.280 392 H C 0.028 175.299 175.328 -0.094 0.000 1.445 392 H CA -0.808 55.137 56.048 -0.171 0.000 1.165 392 H CB 0.177 29.820 29.762 -0.198 0.000 1.857 392 H HN 0.191 nan 8.280 nan 0.000 0.567 393 N N -1.022 117.778 118.700 0.166 0.000 2.519 393 N HA -0.046 4.699 4.740 0.008 0.000 0.186 393 N C 1.433 177.026 175.510 0.139 0.000 1.062 393 N CA 0.959 54.068 53.050 0.099 0.000 0.910 393 N CB 0.012 38.534 38.487 0.058 0.000 0.958 393 N HN 0.718 nan 8.380 nan 0.000 0.445 394 G N -0.266 108.752 108.800 0.363 0.000 2.662 394 G HA2 -0.048 3.917 3.960 0.008 0.000 0.212 394 G HA3 -0.048 3.917 3.960 0.008 0.000 0.212 394 G C 0.449 175.414 174.900 0.108 0.000 1.141 394 G CA -0.103 45.151 45.100 0.256 0.000 0.797 394 G HN 0.133 nan 8.290 nan 0.000 0.531 395 T N 2.175 116.665 114.554 -0.106 0.000 2.902 395 T HA 0.309 4.664 4.350 0.008 0.000 0.301 395 T C 0.187 174.855 174.700 -0.052 0.000 1.012 395 T CA 0.117 62.107 62.100 -0.184 0.000 1.151 395 T CB 1.119 69.787 68.868 -0.333 0.000 0.946 395 T HN 0.522 nan 8.240 nan 0.000 0.542 396 D N 1.802 122.188 120.400 -0.022 0.000 2.358 396 D HA 0.421 5.066 4.640 0.008 0.000 0.244 396 D C 1.374 177.702 176.300 0.048 0.000 1.163 396 D CA -0.351 53.659 54.000 0.017 0.000 0.945 396 D CB 0.589 41.398 40.800 0.016 0.000 1.152 396 D HN 0.371 nan 8.370 nan 0.000 0.451 397 A N 1.481 124.358 122.820 0.095 0.000 1.927 397 A HA -0.281 4.044 4.320 0.008 0.000 0.220 397 A C 2.142 179.863 177.584 0.229 0.000 1.185 397 A CA 1.757 53.922 52.037 0.215 0.000 0.639 397 A CB -0.654 18.412 19.000 0.111 0.000 0.820 397 A HN 0.679 nan 8.150 nan 0.000 0.451 398 R N -0.761 119.792 120.500 0.088 0.000 2.093 398 R HA 0.136 4.481 4.340 0.008 0.000 0.224 398 R C 2.434 178.756 176.300 0.036 0.000 1.101 398 R CA 0.978 57.102 56.100 0.040 0.000 0.979 398 R CB -0.435 29.854 30.300 -0.018 0.000 0.877 398 R HN 0.470 nan 8.270 nan 0.000 0.441 399 A N 1.400 124.232 122.820 0.020 0.000 1.972 399 A HA -0.094 4.230 4.320 0.008 0.000 0.219 399 A C 2.125 179.710 177.584 0.001 0.000 1.169 399 A CA 1.065 53.101 52.037 -0.001 0.000 0.635 399 A CB -0.474 18.510 19.000 -0.028 0.000 0.810 399 A HN 0.163 nan 8.150 nan 0.000 0.446 400 L N -0.733 120.494 121.223 0.006 0.000 2.046 400 L HA -0.181 4.164 4.340 0.008 0.000 0.208 400 L C 2.436 179.324 176.870 0.030 0.000 1.077 400 L CA 1.322 56.147 54.840 -0.026 0.000 0.747 400 L CB -0.526 41.462 42.059 -0.120 0.000 0.896 400 L HN 0.367 nan 8.230 nan 0.000 0.432 401 I N -0.303 120.308 120.570 0.069 0.000 2.226 401 I HA -0.291 3.884 4.170 0.008 0.000 0.245 401 I C 2.674 178.882 176.117 0.153 0.000 1.100 401 I CA 1.403 62.779 61.300 0.127 0.000 1.374 401 I CB -0.323 37.752 38.000 0.125 0.000 1.057 401 I HN 0.341 nan 8.210 nan 0.000 0.413 402 E N 1.662 121.913 120.200 0.086 0.000 2.077 402 E HA -0.225 4.130 4.350 0.008 0.000 0.193 402 E C 2.330 178.971 176.600 0.069 0.000 0.989 402 E CA 1.318 57.756 56.400 0.063 0.000 0.800 402 E CB -0.057 29.661 29.700 0.029 0.000 0.746 402 E HN 0.479 nan 8.360 nan 0.000 0.452 403 I N 0.500 121.112 120.570 0.069 0.000 2.264 403 I HA -0.282 3.893 4.170 0.008 0.000 0.248 403 I C 2.407 178.607 176.117 0.138 0.000 1.111 403 I CA 1.232 62.578 61.300 0.076 0.000 1.382 403 I CB -0.424 37.605 38.000 0.047 0.000 1.060 403 I HN 0.252 nan 8.210 nan 0.000 0.418 404 Y N 2.279 122.613 120.300 0.057 0.000 2.145 404 Y HA -0.281 4.273 4.550 0.008 0.000 0.286 404 Y C 2.388 178.351 175.900 0.104 0.000 1.145 404 Y CA 1.760 59.923 58.100 0.105 0.000 1.148 404 Y CB -0.383 38.116 38.460 0.064 0.000 0.981 404 Y HN 0.190 nan 8.280 nan 0.000 0.507 405 N N 0.402 119.090 118.700 -0.020 0.000 2.171 405 N HA -0.148 4.596 4.740 0.008 0.000 0.184 405 N C 1.404 176.872 175.510 -0.071 0.000 1.021 405 N CA 1.483 54.471 53.050 -0.103 0.000 0.854 405 N CB -0.559 37.931 38.487 0.004 0.000 0.994 405 N HN 0.417 nan 8.380 nan 0.000 0.426 406 D N 0.327 120.719 120.400 -0.014 0.000 2.092 406 D HA -0.102 4.542 4.640 0.008 0.000 0.193 406 D C 1.736 178.030 176.300 -0.010 0.000 0.994 406 D CA 1.294 55.293 54.000 -0.001 0.000 0.828 406 D CB -0.662 40.151 40.800 0.021 0.000 0.963 406 D HN 0.221 nan 8.370 nan 0.000 0.450 407 T N 1.316 115.866 114.554 -0.008 0.000 2.684 407 T HA -0.182 4.173 4.350 0.008 0.000 0.267 407 T C 1.978 176.666 174.700 -0.020 0.000 1.036 407 T CA 1.192 63.282 62.100 -0.016 0.000 1.148 407 T CB -0.253 68.605 68.868 -0.017 0.000 0.863 407 T HN 0.259 nan 8.240 nan 0.000 0.436 408 Q N 0.553 120.320 119.800 -0.054 0.000 2.096 408 Q HA -0.091 4.254 4.340 0.008 0.000 0.204 408 Q C 2.784 178.762 176.000 -0.037 0.000 0.982 408 Q CA 1.396 57.165 55.803 -0.057 0.000 0.850 408 Q CB -0.301 28.309 28.738 -0.213 0.000 0.901 408 Q HN 0.409 nan 8.270 nan 0.000 0.422 409 S N 0.915 116.589 115.700 -0.044 0.000 2.356 409 S HA -0.152 4.322 4.470 0.008 0.000 0.223 409 S C 1.441 176.036 174.600 -0.009 0.000 1.032 409 S CA 1.362 59.550 58.200 -0.020 0.000 1.005 409 S CB -0.268 62.922 63.200 -0.016 0.000 0.867 409 S HN 0.334 nan 8.310 nan 0.000 0.449 410 D N 1.097 121.492 120.400 -0.008 0.000 2.116 410 D HA -0.106 4.538 4.640 0.008 0.000 0.193 410 D C 1.889 178.170 176.300 -0.033 0.000 0.998 410 D CA 0.786 54.784 54.000 -0.003 0.000 0.836 410 D CB -0.517 40.294 40.800 0.019 0.000 0.951 410 D HN 0.204 nan 8.370 nan 0.000 0.449 411 L N 0.810 121.999 121.223 -0.056 0.000 2.046 411 L HA -0.061 4.283 4.340 0.008 0.000 0.208 411 L C 2.138 178.911 176.870 -0.162 0.000 1.077 411 L CA 1.748 56.504 54.840 -0.140 0.000 0.747 411 L CB -0.854 41.142 42.059 -0.105 0.000 0.896 411 L HN -0.014 nan 8.230 nan 0.000 0.432 412 A N -0.957 121.846 122.820 -0.029 0.000 1.933 412 A HA -0.266 4.059 4.320 0.008 0.000 0.218 412 A C 2.332 179.941 177.584 0.042 0.000 1.175 412 A CA 1.767 53.833 52.037 0.048 0.000 0.628 412 A CB -0.671 18.360 19.000 0.051 0.000 0.814 412 A HN 0.618 nan 8.150 nan 0.000 0.444 413 E N -0.262 119.944 120.200 0.010 0.000 2.152 413 E HA -0.094 4.260 4.350 0.008 0.000 0.192 413 E C 1.772 178.385 176.600 0.021 0.000 0.983 413 E CA 1.105 57.518 56.400 0.021 0.000 0.818 413 E CB -0.089 29.619 29.700 0.012 0.000 0.758 413 E HN 0.308 nan 8.360 nan 0.000 0.467 414 V N 0.774 120.669 119.914 -0.031 0.000 2.295 414 V HA -0.278 3.846 4.120 0.008 0.000 0.246 414 V C 1.901 178.033 176.094 0.064 0.000 1.049 414 V CA 2.375 64.656 62.300 -0.032 0.000 1.024 414 V CB -0.731 31.021 31.823 -0.118 0.000 0.648 414 V HN 0.428 nan 8.190 nan 0.000 0.447 415 H N -0.463 118.657 119.070 0.083 0.000 2.353 415 H HA -0.133 4.428 4.556 0.008 0.000 0.300 415 H C 2.537 177.943 175.328 0.131 0.000 1.090 415 H CA 1.422 57.535 56.048 0.107 0.000 1.327 415 H CB -0.025 29.776 29.762 0.065 0.000 1.383 415 H HN 0.354 nan 8.280 nan 0.000 0.508 416 S N 0.511 116.335 115.700 0.206 0.000 2.382 416 S HA -0.187 4.288 4.470 0.008 0.000 0.228 416 S C 1.958 176.628 174.600 0.116 0.000 1.027 416 S CA 1.198 59.477 58.200 0.132 0.000 0.991 416 S CB -0.113 63.138 63.200 0.085 0.000 0.823 416 S HN 0.494 nan 8.310 nan 0.000 0.469 417 Q N -0.526 119.347 119.800 0.121 0.000 2.137 417 Q HA 0.014 4.358 4.340 0.008 0.000 0.198 417 Q C 1.861 177.932 176.000 0.118 0.000 0.960 417 Q CA 0.825 56.684 55.803 0.092 0.000 0.847 417 Q CB -0.276 28.501 28.738 0.064 0.000 0.915 417 Q HN 0.547 nan 8.270 nan 0.000 0.448 418 F N 1.716 121.703 119.950 0.061 0.000 2.091 418 F HA -0.264 4.267 4.527 0.008 0.000 0.299 418 F C 2.180 178.009 175.800 0.049 0.000 1.103 418 F CA 1.645 59.684 58.000 0.066 0.000 1.228 418 F CB -0.285 38.776 39.000 0.102 0.000 0.984 418 F HN 0.012 nan 8.300 nan 0.000 0.477 419 A N -0.986 121.908 122.820 0.122 0.000 2.015 419 A HA -0.140 4.184 4.320 0.008 0.000 0.219 419 A C 1.958 179.504 177.584 -0.064 0.000 1.163 419 A CA 1.895 53.946 52.037 0.024 0.000 0.646 419 A CB -1.364 17.698 19.000 0.103 0.000 0.806 419 A HN 0.502 nan 8.150 nan 0.000 0.448 420 T N -5.134 109.391 114.554 -0.048 0.000 3.145 420 T HA 0.440 4.795 4.350 0.008 0.000 0.255 420 T C 1.191 175.838 174.700 -0.088 0.000 1.039 420 T CA 0.966 63.033 62.100 -0.054 0.000 0.928 420 T CB 0.166 69.024 68.868 -0.017 0.000 1.029 420 T HN 1.622 nan 8.240 nan 0.000 0.554 421 G N 0.428 109.133 108.800 -0.158 0.000 2.157 421 G HA2 -0.284 3.680 3.960 0.008 0.000 0.248 421 G HA3 -0.284 3.680 3.960 0.008 0.000 0.248 421 G C 0.736 175.583 174.900 -0.089 0.000 0.979 421 G CA 0.148 45.149 45.100 -0.166 0.000 0.650 421 G HN 0.510 nan 8.290 nan 0.000 0.529 422 V N 0.084 119.972 119.914 -0.043 0.000 2.788 422 V HA 0.318 4.443 4.120 0.008 0.000 0.251 422 V C 1.461 177.584 176.094 0.049 0.000 1.068 422 V CA 1.525 63.825 62.300 0.001 0.000 1.090 422 V CB -0.018 31.809 31.823 0.007 0.000 0.710 422 V HN 0.401 nan 8.190 nan 0.000 0.467 423 L N 0.073 121.353 121.223 0.094 0.000 2.342 423 L HA 0.453 4.798 4.340 0.008 0.000 0.271 423 L C 0.493 177.507 176.870 0.240 0.000 1.008 423 L CA -0.498 54.495 54.840 0.255 0.000 0.818 423 L CB 2.148 44.369 42.059 0.270 0.000 1.296 423 L HN 0.183 nan 8.230 nan 0.000 0.427 424 T N -1.408 113.229 114.554 0.138 0.000 2.788 424 T HA 0.130 4.485 4.350 0.008 0.000 0.287 424 T C 0.976 175.818 174.700 0.238 0.000 1.007 424 T CA -0.591 61.521 62.100 0.020 0.000 1.005 424 T CB 1.023 69.701 68.868 -0.317 0.000 1.012 424 T HN 0.438 nan 8.240 nan 0.000 0.530 425 L N 0.525 121.927 121.223 0.299 0.000 2.079 425 L HA -0.032 4.312 4.340 0.008 0.000 0.210 425 L C 2.748 179.622 176.870 0.008 0.000 1.081 425 L CA 2.094 57.017 54.840 0.140 0.000 0.752 425 L CB -1.100 41.032 42.059 0.122 0.000 0.896 425 L HN 0.987 nan 8.230 nan 0.000 0.433 426 E N -1.398 118.784 120.200 -0.031 0.000 2.085 426 E HA -0.279 4.075 4.350 0.008 0.000 0.194 426 E C 2.070 178.696 176.600 0.042 0.000 0.994 426 E CA 1.661 58.054 56.400 -0.011 0.000 0.801 426 E CB -0.253 29.427 29.700 -0.034 0.000 0.743 426 E HN 0.734 nan 8.360 nan 0.000 0.453 427 H N -0.409 118.611 119.070 -0.083 0.000 2.319 427 H HA -0.133 4.428 4.556 0.008 0.000 0.299 427 H C 2.468 177.781 175.328 -0.024 0.000 1.092 427 H CA 1.440 57.368 56.048 -0.200 0.000 1.302 427 H CB -0.075 29.539 29.762 -0.246 0.000 1.373 427 H HN 0.080 nan 8.280 nan 0.000 0.497 428 R N 1.005 121.569 120.500 0.108 0.000 2.081 428 R HA -0.118 4.226 4.340 0.008 0.000 0.235 428 R C 2.496 178.800 176.300 0.007 0.000 1.131 428 R CA 1.096 57.195 56.100 -0.001 0.000 0.960 428 R CB -0.219 29.943 30.300 -0.230 0.000 0.856 428 R HN 0.297 nan 8.270 nan 0.000 0.436 429 A N 0.352 123.184 122.820 0.021 0.000 1.865 429 A HA -0.236 4.089 4.320 0.008 0.000 0.217 429 A C 1.971 179.607 177.584 0.087 0.000 1.191 429 A CA 1.462 53.521 52.037 0.036 0.000 0.623 429 A CB -1.231 17.796 19.000 0.044 0.000 0.826 429 A HN 0.738 nan 8.150 nan 0.000 0.444 430 W N 0.500 121.798 121.300 -0.004 0.000 2.358 430 W HA -0.128 4.537 4.660 0.008 0.000 0.303 430 W C 2.472 178.983 176.519 -0.014 0.000 1.208 430 W CA 2.367 59.730 57.345 0.030 0.000 1.274 430 W CB -0.108 29.426 29.460 0.123 0.000 1.138 430 W HN 0.375 nan 8.180 nan 0.000 0.515 431 A N 0.265 123.261 122.820 0.293 0.000 1.877 431 A HA -0.232 4.093 4.320 0.008 0.000 0.216 431 A C 1.786 179.277 177.584 -0.155 0.000 1.186 431 A CA 1.962 54.058 52.037 0.097 0.000 0.620 431 A CB -0.915 18.142 19.000 0.095 0.000 0.822 431 A HN 0.477 nan 8.150 nan 0.000 0.443 432 E N -0.589 119.541 120.200 -0.118 0.000 2.077 432 E HA -0.199 4.156 4.350 0.008 0.000 0.193 432 E C 2.269 178.750 176.600 -0.198 0.000 0.989 432 E CA 1.211 57.536 56.400 -0.125 0.000 0.800 432 E CB -0.130 29.552 29.700 -0.031 0.000 0.746 432 E HN 0.527 nan 8.360 nan 0.000 0.452 433 Q N -0.024 119.637 119.800 -0.231 0.000 2.119 433 Q HA -0.076 4.269 4.340 0.008 0.000 0.201 433 Q C 2.278 178.015 176.000 -0.437 0.000 0.972 433 Q CA 1.273 56.914 55.803 -0.271 0.000 0.847 433 Q CB -0.495 28.117 28.738 -0.211 0.000 0.903 433 Q HN 0.268 nan 8.270 nan 0.000 0.433 434 T N 1.022 115.192 114.554 -0.640 0.000 2.708 434 T HA -0.099 4.256 4.350 0.008 0.000 0.266 434 T C 2.147 176.514 174.700 -0.556 0.000 1.037 434 T CA 1.511 63.167 62.100 -0.740 0.000 1.146 434 T CB -0.188 68.047 68.868 -1.055 0.000 0.865 434 T HN 0.222 nan 8.240 nan 0.000 0.435 435 S N 1.501 116.899 115.700 -0.504 0.000 2.365 435 S HA -0.061 4.414 4.470 0.008 0.000 0.225 435 S C 2.057 176.123 174.600 -0.891 0.000 1.039 435 S CA 1.077 58.875 58.200 -0.670 0.000 1.033 435 S CB -0.630 62.271 63.200 -0.499 0.000 0.887 435 S HN 0.349 nan 8.310 nan 0.000 0.447 436 L N 0.668 121.554 121.223 -0.561 0.000 2.042 436 L HA -0.153 4.191 4.340 0.008 0.000 0.210 436 L C 2.735 179.285 176.870 -0.533 0.000 1.076 436 L CA 1.396 55.914 54.840 -0.538 0.000 0.749 436 L CB -0.429 41.233 42.059 -0.662 0.000 0.893 436 L HN 0.207 nan 8.230 nan 0.000 0.432 437 R N 0.727 120.965 120.500 -0.437 0.000 2.096 437 R HA -0.124 4.220 4.340 0.008 0.000 0.235 437 R C 2.035 178.305 176.300 -0.050 0.000 1.127 437 R CA 1.530 57.489 56.100 -0.236 0.000 0.968 437 R CB -0.527 29.489 30.300 -0.473 0.000 0.861 437 R HN 0.286 nan 8.270 nan 0.000 0.440 438 I N -0.397 120.072 120.570 -0.169 0.000 2.252 438 I HA -0.281 3.894 4.170 0.008 0.000 0.245 438 I C 1.526 177.717 176.117 0.122 0.000 1.102 438 I CA 1.053 62.384 61.300 0.052 0.000 1.385 438 I CB -0.307 37.640 38.000 -0.088 0.000 1.064 438 I HN 0.154 nan 8.210 nan 0.000 0.414 439 Y N -0.382 119.974 120.300 0.093 0.000 2.181 439 Y HA -0.302 4.253 4.550 0.008 0.000 0.288 439 Y C 2.486 178.448 175.900 0.103 0.000 1.146 439 Y CA 1.066 59.222 58.100 0.093 0.000 1.164 439 Y CB -1.495 36.992 38.460 0.045 0.000 0.982 439 Y HN 0.213 nan 8.280 nan 0.000 0.515 440 Y N 1.124 121.511 120.300 0.145 0.000 2.200 440 Y HA -0.174 4.381 4.550 0.008 0.000 0.290 440 Y C 2.085 178.082 175.900 0.161 0.000 1.137 440 Y CA 1.752 59.947 58.100 0.157 0.000 1.163 440 Y CB 0.023 38.626 38.460 0.239 0.000 0.988 440 Y HN 0.025 nan 8.280 nan 0.000 0.518 441 E N 0.328 120.733 120.200 0.340 0.000 2.076 441 E HA -0.125 4.230 4.350 0.008 0.000 0.190 441 E C 2.348 178.998 176.600 0.085 0.000 0.979 441 E CA 0.917 57.454 56.400 0.229 0.000 0.807 441 E CB -0.534 29.391 29.700 0.376 0.000 0.761 441 E HN 0.527 nan 8.360 nan 0.000 0.454 442 L N 1.398 122.688 121.223 0.112 0.000 2.021 442 L HA -0.277 4.067 4.340 0.008 0.000 0.215 442 L C 2.332 179.166 176.870 -0.060 0.000 1.074 442 L CA 1.601 56.455 54.840 0.022 0.000 0.760 442 L CB -0.545 41.565 42.059 0.085 0.000 0.889 442 L HN 0.153 nan 8.230 nan 0.000 0.433 443 N N -0.220 118.449 118.700 -0.051 0.000 2.364 443 N HA -0.148 4.596 4.740 0.008 0.000 0.183 443 N C 1.785 177.215 175.510 -0.133 0.000 1.022 443 N CA 1.001 53.985 53.050 -0.110 0.000 0.883 443 N CB 0.134 38.553 38.487 -0.115 0.000 0.965 443 N HN 0.217 nan 8.380 nan 0.000 0.438 444 R N -0.953 119.467 120.500 -0.134 0.000 2.189 444 R HA 0.233 4.577 4.340 0.008 0.000 0.203 444 R C 1.611 177.876 176.300 -0.059 0.000 1.012 444 R CA 0.387 56.423 56.100 -0.108 0.000 1.015 444 R CB 0.156 30.387 30.300 -0.115 0.000 0.938 444 R HN 0.221 nan 8.270 nan 0.000 0.472 445 L N 0.058 121.246 121.223 -0.058 0.000 2.307 445 L HA 0.165 4.509 4.340 0.008 0.000 0.211 445 L C 0.984 177.815 176.870 -0.065 0.000 1.099 445 L CA 0.192 55.003 54.840 -0.049 0.000 0.816 445 L CB 0.028 42.053 42.059 -0.056 0.000 0.952 445 L HN 0.123 nan 8.230 nan 0.000 0.455 446 M N -0.318 119.197 119.600 -0.142 0.000 2.240 446 M HA 0.038 4.523 4.480 0.008 0.000 0.333 446 M C 0.395 176.740 176.300 0.074 0.000 1.110 446 M CA 0.411 55.585 55.300 -0.210 0.000 1.173 446 M CB 1.123 33.460 32.600 -0.439 0.000 1.458 446 M HN -0.050 nan 8.290 nan 0.000 0.458 447 S N -0.003 115.920 115.700 0.372 0.000 2.454 447 S HA 0.267 4.741 4.470 0.008 0.000 0.306 447 S C 0.998 175.668 174.600 0.116 0.000 1.100 447 S CA -0.812 57.494 58.200 0.176 0.000 1.087 447 S CB 1.069 64.343 63.200 0.125 0.000 1.019 447 S HN 0.820 nan 8.310 nan 0.000 0.480 448 T N 2.850 117.428 114.554 0.041 0.000 2.946 448 T HA -0.051 4.304 4.350 0.008 0.000 0.271 448 T C 1.189 175.878 174.700 -0.018 0.000 1.104 448 T CA 1.078 63.181 62.100 0.005 0.000 1.114 448 T CB -0.277 68.584 68.868 -0.013 0.000 0.867 448 T HN 0.497 nan 8.240 nan 0.000 0.513 449 K N 1.227 121.615 120.400 -0.019 0.000 2.444 449 K HA 0.225 4.550 4.320 0.008 0.000 0.193 449 K C 0.508 177.059 176.600 -0.083 0.000 1.024 449 K CA -0.108 56.152 56.287 -0.045 0.000 1.077 449 K CB 0.092 32.572 32.500 -0.032 0.000 0.833 449 K HN 0.329 nan 8.250 nan 0.000 0.517 450 N N 0.650 119.285 118.700 -0.107 0.000 2.408 450 N HA 0.078 4.823 4.740 0.008 0.000 0.280 450 N C 0.522 175.901 175.510 -0.217 0.000 1.002 450 N CA -0.153 52.775 53.050 -0.203 0.000 0.907 450 N CB 1.208 39.445 38.487 -0.418 0.000 1.161 450 N HN -0.016 nan 8.380 nan 0.000 0.488 451 R N 3.204 123.495 120.500 -0.349 0.000 2.090 451 R HA -0.016 4.328 4.340 0.008 0.000 0.228 451 R C 0.672 176.702 176.300 -0.450 0.000 1.110 451 R CA 1.546 57.369 56.100 -0.461 0.000 0.973 451 R CB -0.148 29.734 30.300 -0.697 0.000 0.869 451 R HN 0.525 nan 8.270 nan 0.000 0.440 452 F N -0.563 119.344 119.950 -0.072 0.000 2.512 452 F HA 0.107 4.639 4.527 0.008 0.000 0.296 452 F C 1.883 177.721 175.800 0.064 0.000 1.110 452 F CA 0.773 58.762 58.000 -0.018 0.000 1.446 452 F CB -0.383 38.611 39.000 -0.011 0.000 1.092 452 F HN 0.110 nan 8.300 nan 0.000 0.554 453 H N -0.042 119.082 119.070 0.089 0.000 2.395 453 H HA -0.010 4.551 4.556 0.008 0.000 0.299 453 H C 2.223 177.521 175.328 -0.050 0.000 1.070 453 H CA 0.568 56.617 56.048 0.003 0.000 1.356 453 H CB 0.009 29.764 29.762 -0.011 0.000 1.401 453 H HN 0.117 nan 8.280 nan 0.000 0.524 454 R N 0.195 120.734 120.500 0.066 0.000 2.113 454 R HA -0.135 4.210 4.340 0.008 0.000 0.244 454 R C -0.675 175.613 176.300 -0.021 0.000 1.142 454 R CA 1.705 57.803 56.100 -0.004 0.000 0.953 454 R CB -1.352 28.924 30.300 -0.040 0.000 0.860 454 R HN 0.429 nan 8.270 nan 0.000 0.438 455 P HA -0.057 nan 4.420 nan 0.000 0.220 455 P C 1.257 178.525 177.300 -0.055 0.000 1.152 455 P CA 0.905 63.995 63.100 -0.018 0.000 0.812 455 P CB -0.099 31.608 31.700 0.012 0.000 0.792 456 I N -0.650 119.864 120.570 -0.094 0.000 2.226 456 I HA -0.172 4.003 4.170 0.008 0.000 0.245 456 I C 2.366 178.316 176.117 -0.278 0.000 1.100 456 I CA 1.274 62.401 61.300 -0.289 0.000 1.374 456 I CB -1.749 35.978 38.000 -0.456 0.000 1.057 456 I HN -0.032 nan 8.210 nan 0.000 0.413 457 L N 0.368 121.490 121.223 -0.167 0.000 2.131 457 L HA -0.214 4.130 4.340 0.008 0.000 0.210 457 L C 2.247 179.055 176.870 -0.103 0.000 1.092 457 L CA 1.086 55.847 54.840 -0.131 0.000 0.759 457 L CB -0.580 41.432 42.059 -0.078 0.000 0.903 457 L HN 0.219 nan 8.230 nan 0.000 0.435 458 D N 0.167 120.517 120.400 -0.082 0.000 2.097 458 D HA -0.187 4.458 4.640 0.008 0.000 0.195 458 D C 2.090 178.352 176.300 -0.063 0.000 0.989 458 D CA 1.300 55.265 54.000 -0.059 0.000 0.827 458 D CB -0.062 40.716 40.800 -0.038 0.000 0.966 458 D HN 0.411 nan 8.370 nan 0.000 0.456 459 E N 0.312 120.466 120.200 -0.077 0.000 2.077 459 E HA -0.101 4.254 4.350 0.008 0.000 0.193 459 E C 2.409 178.949 176.600 -0.100 0.000 0.989 459 E CA 0.401 56.762 56.400 -0.066 0.000 0.800 459 E CB -0.094 29.594 29.700 -0.019 0.000 0.746 459 E HN 0.240 nan 8.360 nan 0.000 0.452 460 L N 0.632 121.766 121.223 -0.148 0.000 2.083 460 L HA -0.173 4.171 4.340 0.008 0.000 0.209 460 L C 2.519 179.342 176.870 -0.077 0.000 1.083 460 L CA 0.678 55.438 54.840 -0.133 0.000 0.752 460 L CB -0.265 41.708 42.059 -0.144 0.000 0.899 460 L HN 0.060 nan 8.230 nan 0.000 0.433 461 S N -0.465 115.191 115.700 -0.073 0.000 2.400 461 S HA -0.201 4.274 4.470 0.008 0.000 0.232 461 S C 1.852 176.421 174.600 -0.051 0.000 1.025 461 S CA 1.378 59.544 58.200 -0.058 0.000 0.993 461 S CB -0.088 63.077 63.200 -0.059 0.000 0.808 461 S HN 0.468 nan 8.310 nan 0.000 0.478 462 E N 0.271 120.441 120.200 -0.050 0.000 2.086 462 E HA -0.036 4.318 4.350 0.008 0.000 0.190 462 E C 2.191 178.771 176.600 -0.034 0.000 0.975 462 E CA 0.508 56.884 56.400 -0.041 0.000 0.813 462 E CB -0.055 29.627 29.700 -0.030 0.000 0.768 462 E HN 0.160 nan 8.360 nan 0.000 0.457 463 R N 0.931 121.402 120.500 -0.048 0.000 2.159 463 R HA -0.083 4.262 4.340 0.008 0.000 0.237 463 R C 1.370 177.676 176.300 0.010 0.000 1.131 463 R CA 1.290 57.363 56.100 -0.045 0.000 0.982 463 R CB -0.107 30.107 30.300 -0.144 0.000 0.868 463 R HN 0.160 nan 8.270 nan 0.000 0.453 464 L N -0.118 121.118 121.223 0.021 0.000 2.808 464 L HA 0.461 4.806 4.340 0.008 0.000 0.246 464 L C 0.303 177.218 176.870 0.075 0.000 1.153 464 L CA -0.242 54.649 54.840 0.084 0.000 0.956 464 L CB 0.346 42.471 42.059 0.109 0.000 1.270 464 L HN 0.130 nan 8.230 nan 0.000 0.528 465 A N 0.018 122.844 122.820 0.010 0.000 2.445 465 A HA 0.171 4.495 4.320 0.008 0.000 0.242 465 A C -0.349 177.218 177.584 -0.027 0.000 1.075 465 A CA -0.221 51.788 52.037 -0.046 0.000 0.777 465 A CB 0.063 19.003 19.000 -0.100 0.000 1.013 465 A HN 0.122 nan 8.150 nan 0.000 0.493 466 D N 1.238 121.593 120.400 -0.074 0.000 2.345 466 D HA 0.265 4.909 4.640 0.008 0.000 0.247 466 D C -0.109 176.120 176.300 -0.119 0.000 1.108 466 D CA 0.424 54.406 54.000 -0.030 0.000 0.894 466 D CB 0.722 41.541 40.800 0.032 0.000 1.203 466 D HN 0.386 nan 8.370 nan 0.000 0.430 467 K N 1.621 122.006 120.400 -0.024 0.000 2.276 467 K HA 0.243 4.568 4.320 0.008 0.000 0.285 467 K C -0.620 175.988 176.600 0.012 0.000 1.062 467 K CA -0.474 55.739 56.287 -0.124 0.000 0.918 467 K CB 0.682 33.074 32.500 -0.180 0.000 1.055 467 K HN 0.191 nan 8.250 nan 0.000 0.477 468 F N 3.121 122.846 119.950 -0.374 0.000 2.415 468 F HA 0.329 4.861 4.527 0.008 0.000 0.348 468 F C -0.021 175.526 175.800 -0.423 0.000 1.119 468 F CA -1.459 56.323 58.000 -0.363 0.000 1.069 468 F CB 0.474 39.312 39.000 -0.271 0.000 1.124 468 F HN 0.322 nan 8.300 nan 0.000 0.472 469 F N 3.174 123.104 119.950 -0.034 0.000 2.390 469 F HA 0.439 4.970 4.527 0.008 0.000 0.361 469 F C 0.126 175.945 175.800 0.030 0.000 1.124 469 F CA -0.698 57.303 58.000 0.001 0.000 1.149 469 F CB 0.842 39.808 39.000 -0.057 0.000 1.160 469 F HN -0.009 nan 8.300 nan 0.000 0.501 470 V N 2.955 123.030 119.914 0.269 0.000 2.539 470 V HA 0.206 4.331 4.120 0.008 0.000 0.292 470 V C 0.141 176.437 176.094 0.336 0.000 1.045 470 V CA -0.998 61.486 62.300 0.307 0.000 0.945 470 V CB 1.648 33.706 31.823 0.391 0.000 0.993 470 V HN 0.583 nan 8.190 nan 0.000 0.464 471 N N 4.983 123.824 118.700 0.235 0.000 2.968 471 N HA 0.354 5.098 4.740 0.008 0.000 0.271 471 N C -0.890 174.687 175.510 0.110 0.000 1.174 471 N CA -0.082 53.053 53.050 0.142 0.000 1.096 471 N CB -0.584 37.966 38.487 0.105 0.000 1.403 471 N HN 0.639 nan 8.380 nan 0.000 0.522 472 F N -1.174 118.646 119.950 -0.217 0.000 2.900 472 F HA 0.391 4.923 4.527 0.008 0.000 0.321 472 F C -1.386 174.275 175.800 -0.231 0.000 1.160 472 F CA -1.217 56.563 58.000 -0.368 0.000 0.890 472 F CB 0.634 39.372 39.000 -0.436 0.000 1.334 472 F HN -0.041 nan 8.300 nan 0.000 0.459 473 S N 2.277 117.549 115.700 -0.713 0.000 2.530 473 S HA 0.373 4.848 4.470 0.008 0.000 0.322 473 S C 0.437 174.494 174.600 -0.904 0.000 1.085 473 S CA -0.664 57.115 58.200 -0.702 0.000 1.096 473 S CB 1.345 64.449 63.200 -0.159 0.000 0.988 473 S HN 0.932 nan 8.310 nan 0.000 0.466 474 L N 5.175 125.718 121.223 -1.134 0.000 2.043 474 L HA -0.060 4.285 4.340 0.008 0.000 0.212 474 L C 1.384 177.992 176.870 -0.436 0.000 1.075 474 L CA 2.099 56.518 54.840 -0.700 0.000 0.752 474 L CB -0.354 41.317 42.059 -0.647 0.000 0.891 474 L HN 0.834 nan 8.230 nan 0.000 0.432 475 F N -1.114 118.691 119.950 -0.242 0.000 2.407 475 F HA -0.149 4.383 4.527 0.008 0.000 0.299 475 F C 2.560 178.282 175.800 -0.129 0.000 1.097 475 F CA 1.072 58.950 58.000 -0.203 0.000 1.422 475 F CB -0.371 38.460 39.000 -0.282 0.000 1.067 475 F HN 0.233 nan 8.300 nan 0.000 0.539 476 Q N -0.320 119.516 119.800 0.059 0.000 2.259 476 Q HA 0.020 4.365 4.340 0.008 0.000 0.201 476 Q C 1.832 177.834 176.000 0.003 0.000 0.938 476 Q CA 1.608 57.438 55.803 0.045 0.000 0.872 476 Q CB -0.035 28.755 28.738 0.088 0.000 0.971 476 Q HN 0.103 nan 8.270 nan 0.000 0.494 477 S N -0.993 114.680 115.700 -0.045 0.000 2.514 477 S HA 0.293 4.768 4.470 0.008 0.000 0.223 477 S C -0.153 174.367 174.600 -0.132 0.000 1.046 477 S CA -0.077 58.081 58.200 -0.069 0.000 0.914 477 S CB 0.637 63.805 63.200 -0.053 0.000 0.807 477 S HN 0.232 nan 8.310 nan 0.000 0.497 478 L N 2.160 123.310 121.223 -0.121 0.000 2.678 478 L HA 0.356 4.700 4.340 0.008 0.000 0.250 478 L C -2.048 174.827 176.870 0.008 0.000 1.455 478 L CA -1.303 53.443 54.840 -0.157 0.000 0.823 478 L CB 1.366 43.317 42.059 -0.180 0.000 1.107 478 L HN -0.058 nan 8.230 nan 0.000 0.514 479 P HA -0.154 nan 4.420 nan 0.000 0.218 479 P C 0.668 178.114 177.300 0.243 0.000 1.148 479 P CA 1.249 64.457 63.100 0.180 0.000 0.822 479 P CB 0.441 32.255 31.700 0.189 0.000 0.784 480 D N -0.833 119.684 120.400 0.194 0.000 2.264 480 D HA -0.087 4.557 4.640 0.008 0.000 0.208 480 D C 2.141 178.472 176.300 0.052 0.000 0.966 480 D CA 0.866 54.926 54.000 0.100 0.000 0.864 480 D CB -0.512 40.339 40.800 0.085 0.000 0.933 480 D HN 0.126 nan 8.370 nan 0.000 0.499 481 S N -0.520 115.290 115.700 0.182 0.000 2.368 481 S HA -0.170 4.305 4.470 0.008 0.000 0.225 481 S C 1.818 176.438 174.600 0.033 0.000 1.030 481 S CA 1.215 59.481 58.200 0.109 0.000 0.999 481 S CB -0.287 63.048 63.200 0.226 0.000 0.844 481 S HN 0.499 nan 8.310 nan 0.000 0.459 482 W N 1.734 122.954 121.300 -0.133 0.000 2.409 482 W HA 0.197 4.861 4.660 0.008 0.000 0.299 482 W C 2.172 178.643 176.519 -0.080 0.000 1.203 482 W CA 1.233 58.483 57.345 -0.158 0.000 1.298 482 W CB -0.954 28.339 29.460 -0.278 0.000 1.127 482 W HN 0.258 nan 8.180 nan 0.000 0.528 483 G N 1.110 109.629 108.800 -0.469 0.000 2.408 483 G HA2 -0.083 3.881 3.960 0.008 0.000 0.215 483 G HA3 -0.083 3.881 3.960 0.008 0.000 0.215 483 G C 1.226 175.831 174.900 -0.491 0.000 1.156 483 G CA 1.175 45.783 45.100 -0.820 0.000 0.793 483 G HN 0.550 nan 8.290 nan 0.000 0.535 484 I N -3.773 116.615 120.570 -0.303 0.000 3.813 484 I HA 0.290 4.465 4.170 0.008 0.000 0.323 484 I C -0.554 175.434 176.117 -0.215 0.000 1.536 484 I CA -0.308 60.847 61.300 -0.241 0.000 1.083 484 I CB 0.275 38.154 38.000 -0.202 0.000 1.265 484 I HN -0.115 nan 8.210 nan 0.000 0.507 485 D N 1.097 121.372 120.400 -0.209 0.000 2.792 485 D HA -0.258 4.386 4.640 0.008 0.000 0.231 485 D C 0.409 176.567 176.300 -0.237 0.000 1.160 485 D CA 0.889 54.779 54.000 -0.185 0.000 0.697 485 D CB -0.739 39.964 40.800 -0.160 0.000 1.070 485 D HN 0.638 nan 8.370 nan 0.000 0.426 486 Q N 0.584 120.211 119.800 -0.288 0.000 2.269 486 Q HA 0.172 4.516 4.340 0.008 0.000 0.300 486 Q C -0.646 175.000 176.000 -0.590 0.000 1.070 486 Q CA 0.254 55.741 55.803 -0.528 0.000 0.957 486 Q CB 0.908 29.285 28.738 -0.602 0.000 1.131 486 Q HN 0.169 nan 8.270 nan 0.000 0.377 487 V N 6.100 125.632 119.914 -0.637 0.000 2.509 487 V HA 0.444 4.568 4.120 0.008 0.000 0.284 487 V C -0.467 175.179 176.094 -0.746 0.000 1.047 487 V CA -0.175 61.829 62.300 -0.493 0.000 0.952 487 V CB 0.407 32.050 31.823 -0.300 0.000 0.988 487 V HN 0.673 nan 8.190 nan 0.000 0.469 488 F N 4.327 124.183 119.950 -0.157 0.000 2.556 488 F HA 0.553 5.084 4.527 0.008 0.000 0.314 488 F C -2.323 173.352 175.800 -0.209 0.000 1.106 488 F CA -2.599 55.335 58.000 -0.109 0.000 0.911 488 F CB 1.881 40.869 39.000 -0.020 0.000 1.190 488 F HN 0.308 nan 8.300 nan 0.000 0.448 489 P HA 0.237 nan 4.420 nan 0.000 0.268 489 P C -1.114 176.083 177.300 -0.172 0.000 1.205 489 P CA -0.143 62.682 63.100 -0.459 0.000 0.771 489 P CB 0.843 31.653 31.700 -1.484 0.000 0.858 490 V N 4.569 124.398 119.914 -0.142 0.000 2.525 490 V HA 0.470 4.595 4.120 0.008 0.000 0.299 490 V C -0.150 175.869 176.094 -0.125 0.000 1.034 490 V CA -0.377 61.783 62.300 -0.234 0.000 0.863 490 V CB 1.336 33.011 31.823 -0.247 0.000 0.999 490 V HN 0.358 nan 8.190 nan 0.000 0.423 491 L N 6.145 127.332 121.223 -0.060 0.000 2.434 491 L HA 0.644 4.989 4.340 0.008 0.000 0.260 491 L C -2.691 174.171 176.870 -0.014 0.000 0.983 491 L CA -1.893 52.890 54.840 -0.094 0.000 0.820 491 L CB 3.351 45.285 42.059 -0.208 0.000 1.361 491 L HN 0.387 nan 8.230 nan 0.000 0.410 492 P HA 0.192 nan 4.420 nan 0.000 0.274 492 P C 0.239 177.539 177.300 0.001 0.000 1.231 492 P CA -0.272 62.856 63.100 0.047 0.000 0.790 492 P CB 0.928 32.675 31.700 0.078 0.000 0.951 493 L N -0.464 120.757 121.223 -0.004 0.000 2.416 493 L HA 0.124 4.469 4.340 0.008 0.000 0.216 493 L C 0.780 177.654 176.870 0.007 0.000 1.098 493 L CA 0.933 55.792 54.840 0.033 0.000 0.840 493 L CB -0.060 42.029 42.059 0.052 0.000 0.981 493 L HN 0.356 nan 8.230 nan 0.000 0.462 494 S N -1.596 114.068 115.700 -0.060 0.000 2.661 494 S HA 0.578 5.053 4.470 0.008 0.000 0.285 494 S C 0.512 175.063 174.600 -0.082 0.000 1.138 494 S CA -0.100 58.065 58.200 -0.058 0.000 0.855 494 S CB 1.885 65.041 63.200 -0.074 0.000 1.136 494 S HN 0.283 nan 8.310 nan 0.000 0.484 495 G N 0.630 109.407 108.800 -0.038 0.000 2.321 495 G HA2 -0.237 3.727 3.960 0.008 0.000 0.287 495 G HA3 -0.237 3.727 3.960 0.008 0.000 0.287 495 G C 0.470 175.379 174.900 0.015 0.000 1.018 495 G CA 0.607 45.694 45.100 -0.021 0.000 0.855 495 G HN 0.626 nan 8.290 nan 0.000 0.507 496 L N 0.121 121.370 121.223 0.043 0.000 2.362 496 L HA -0.122 4.222 4.340 0.008 0.000 0.219 496 L C 3.099 180.022 176.870 0.088 0.000 1.134 496 L CA 1.487 56.386 54.840 0.099 0.000 0.807 496 L CB -0.266 41.875 42.059 0.137 0.000 0.927 496 L HN 0.617 nan 8.230 nan 0.000 0.447 497 Q N 0.189 120.023 119.800 0.057 0.000 2.297 497 Q HA -0.238 4.107 4.340 0.008 0.000 0.208 497 Q C 0.764 176.787 176.000 0.039 0.000 0.981 497 Q CA 1.868 57.695 55.803 0.041 0.000 0.876 497 Q CB -0.849 27.907 28.738 0.030 0.000 0.921 497 Q HN 0.616 nan 8.270 nan 0.000 0.446 498 N N 0.517 119.249 118.700 0.052 0.000 2.270 498 N HA 0.297 5.042 4.740 0.008 0.000 0.198 498 N C 1.177 176.732 175.510 0.074 0.000 1.117 498 N CA 0.350 53.435 53.050 0.059 0.000 0.845 498 N CB 0.387 38.914 38.487 0.068 0.000 0.980 498 N HN 0.341 nan 8.380 nan 0.000 0.486 499 A N 0.814 123.678 122.820 0.074 0.000 2.186 499 A HA -0.001 4.324 4.320 0.008 0.000 0.219 499 A C 2.137 179.725 177.584 0.006 0.000 1.159 499 A CA 1.231 53.316 52.037 0.080 0.000 0.680 499 A CB -0.387 18.671 19.000 0.097 0.000 0.787 499 A HN 0.360 nan 8.150 nan 0.000 0.467 500 A N -0.445 122.371 122.820 -0.007 0.000 2.235 500 A HA 0.075 4.400 4.320 0.008 0.000 0.208 500 A C 1.404 178.998 177.584 0.017 0.000 1.172 500 A CA 1.025 53.051 52.037 -0.018 0.000 0.786 500 A CB -0.318 18.666 19.000 -0.026 0.000 0.804 500 A HN 0.429 nan 8.150 nan 0.000 0.479 501 D N 0.755 121.189 120.400 0.056 0.000 2.108 501 D HA -0.102 4.542 4.640 0.008 0.000 0.190 501 D C 1.338 177.683 176.300 0.075 0.000 0.995 501 D CA 1.542 55.593 54.000 0.084 0.000 0.834 501 D CB 0.014 40.895 40.800 0.136 0.000 0.967 501 D HN 0.684 nan 8.370 nan 0.000 0.446 502 R N -1.176 119.370 120.500 0.076 0.000 2.906 502 R HA 0.619 4.963 4.340 0.008 0.000 0.258 502 R C -0.483 175.798 176.300 -0.031 0.000 1.156 502 R CA -0.905 55.219 56.100 0.039 0.000 0.996 502 R CB 1.339 31.685 30.300 0.077 0.000 1.259 502 R HN -0.193 nan 8.270 nan 0.000 0.462 503 R N -0.072 120.381 120.500 -0.078 0.000 2.589 503 R HA 0.775 5.120 4.340 0.008 0.000 0.293 503 R C -0.862 175.266 176.300 -0.286 0.000 0.963 503 R CA -0.860 55.142 56.100 -0.164 0.000 0.905 503 R CB 1.960 32.182 30.300 -0.129 0.000 1.144 503 R HN 0.801 nan 8.270 nan 0.000 0.459 504 A N 1.405 123.952 122.820 -0.456 0.000 2.556 504 A HA 0.676 5.001 4.320 0.008 0.000 0.294 504 A C -0.661 176.542 177.584 -0.636 0.000 1.091 504 A CA -0.759 50.876 52.037 -0.671 0.000 0.704 504 A CB 1.769 19.931 19.000 -1.396 0.000 1.300 504 A HN 0.495 nan 8.150 nan 0.000 0.406 505 V N -1.056 118.570 119.914 -0.480 0.000 2.667 505 V HA 0.848 4.972 4.120 0.008 0.000 0.308 505 V C -0.506 175.487 176.094 -0.169 0.000 1.048 505 V CA -1.001 61.122 62.300 -0.295 0.000 0.928 505 V CB 1.682 33.452 31.823 -0.090 0.000 1.004 505 V HN 0.763 nan 8.190 nan 0.000 0.444 506 M N 4.632 124.276 119.600 0.073 0.000 2.205 506 M HA 0.655 5.140 4.480 0.008 0.000 0.344 506 M C -0.964 175.408 176.300 0.120 0.000 1.085 506 M CA -0.634 54.751 55.300 0.142 0.000 1.001 506 M CB 0.730 33.512 32.600 0.304 0.000 1.626 506 M HN 0.682 nan 8.290 nan 0.000 0.442 507 L N 2.927 124.147 121.223 -0.004 0.000 2.362 507 L HA 0.501 4.846 4.340 0.008 0.000 0.271 507 L C 0.110 177.032 176.870 0.087 0.000 1.002 507 L CA -0.766 54.042 54.840 -0.054 0.000 0.818 507 L CB 1.813 43.651 42.059 -0.370 0.000 1.298 507 L HN 0.633 nan 8.230 nan 0.000 0.420 508 D N 2.107 122.550 120.400 0.072 0.000 2.423 508 D HA 0.172 4.816 4.640 0.008 0.000 0.255 508 D C 0.820 177.153 176.300 0.056 0.000 1.174 508 D CA -0.470 53.516 54.000 -0.024 0.000 1.008 508 D CB 0.953 41.465 40.800 -0.480 0.000 1.101 508 D HN 0.557 nan 8.370 nan 0.000 0.516 509 I N -2.540 118.002 120.570 -0.047 0.000 3.812 509 I HA 0.100 4.275 4.170 0.008 0.000 0.320 509 I C 0.477 176.597 176.117 0.005 0.000 1.276 509 I CA -0.301 61.006 61.300 0.012 0.000 1.164 509 I CB -0.947 37.011 38.000 -0.070 0.000 1.009 509 I HN 0.316 nan 8.210 nan 0.000 0.431 510 T N -1.858 112.692 114.554 -0.007 0.000 2.802 510 T HA 0.013 4.367 4.350 0.008 0.000 0.305 510 T C 0.940 175.699 174.700 0.099 0.000 1.053 510 T CA -0.353 61.821 62.100 0.123 0.000 1.058 510 T CB 1.414 70.371 68.868 0.147 0.000 0.988 510 T HN 0.318 nan 8.240 nan 0.000 0.539 511 C N 1.480 120.796 119.300 0.027 0.000 2.536 511 C HA 0.156 4.620 4.460 0.008 0.000 0.285 511 C C 0.599 175.609 174.990 0.033 0.000 1.371 511 C CA -0.094 58.928 59.018 0.007 0.000 1.675 511 C CB -2.312 25.392 27.740 -0.060 0.000 1.689 511 C HN 0.860 nan 8.230 nan 0.000 0.589 512 D N -0.680 119.774 120.400 0.089 0.000 2.278 512 D HA 0.189 4.834 4.640 0.008 0.000 0.245 512 D C 1.101 177.517 176.300 0.193 0.000 1.052 512 D CA 0.126 54.211 54.000 0.141 0.000 0.834 512 D CB 2.008 42.913 40.800 0.174 0.000 1.194 512 D HN 0.339 nan 8.370 nan 0.000 0.481 513 S N 2.825 118.618 115.700 0.154 0.000 2.387 513 S HA -0.219 4.256 4.470 0.008 0.000 0.230 513 S C 1.046 175.745 174.600 0.166 0.000 1.035 513 S CA 0.991 59.274 58.200 0.138 0.000 1.014 513 S CB -0.051 63.215 63.200 0.109 0.000 0.836 513 S HN 0.508 nan 8.310 nan 0.000 0.466 514 D N 1.945 122.491 120.400 0.242 0.000 2.378 514 D HA 0.125 4.770 4.640 0.008 0.000 0.227 514 D C 1.098 177.474 176.300 0.127 0.000 1.012 514 D CA 0.628 54.783 54.000 0.259 0.000 0.905 514 D CB -0.565 40.497 40.800 0.437 0.000 0.895 514 D HN 0.543 nan 8.370 nan 0.000 0.532 515 G N 0.172 109.068 108.800 0.160 0.000 3.343 515 G HA2 0.486 4.451 3.960 0.008 0.000 0.264 515 G HA3 0.486 4.451 3.960 0.008 0.000 0.264 515 G C -0.270 174.624 174.900 -0.009 0.000 0.884 515 G CA -0.037 45.050 45.100 -0.021 0.000 1.916 515 G HN 0.222 nan 8.290 nan 0.000 0.618 516 A N 1.667 124.482 122.820 -0.007 0.000 2.572 516 A HA 0.722 5.047 4.320 0.008 0.000 0.295 516 A C -0.361 177.248 177.584 0.042 0.000 1.072 516 A CA -0.796 51.265 52.037 0.040 0.000 0.691 516 A CB 1.292 20.319 19.000 0.044 0.000 1.291 516 A HN 0.520 nan 8.150 nan 0.000 0.404 517 I N 0.500 121.121 120.570 0.085 0.000 2.342 517 I HA 0.346 4.521 4.170 0.008 0.000 0.291 517 I C -0.560 175.491 176.117 -0.110 0.000 1.010 517 I CA -0.396 60.883 61.300 -0.035 0.000 1.308 517 I CB 1.026 38.977 38.000 -0.082 0.000 1.400 517 I HN 0.612 nan 8.210 nan 0.000 0.488 518 D N 4.313 124.620 120.400 -0.155 0.000 2.305 518 D HA 0.208 4.853 4.640 0.008 0.000 0.206 518 D C 0.708 176.899 176.300 -0.182 0.000 0.974 518 D CA 0.701 54.644 54.000 -0.094 0.000 0.871 518 D CB 0.939 41.703 40.800 -0.060 0.000 0.947 518 D HN 0.722 nan 8.370 nan 0.000 0.516 519 A N -0.012 122.541 122.820 -0.444 0.000 2.475 519 A HA 0.624 4.949 4.320 0.008 0.000 0.301 519 A C -1.681 175.460 177.584 -0.738 0.000 1.059 519 A CA -0.646 51.155 52.037 -0.394 0.000 0.710 519 A CB 1.303 20.185 19.000 -0.195 0.000 1.288 519 A HN -0.032 nan 8.150 nan 0.000 0.408 520 Y N -0.262 120.021 120.300 -0.028 0.000 2.570 520 Y HA 0.578 5.133 4.550 0.008 0.000 0.345 520 Y C -0.110 175.777 175.900 -0.022 0.000 1.014 520 Y CA -1.041 57.041 58.100 -0.030 0.000 1.063 520 Y CB 2.352 40.798 38.460 -0.023 0.000 1.272 520 Y HN 0.363 nan 8.280 nan 0.000 0.477 521 V N 3.429 123.403 119.914 0.101 0.000 2.313 521 V HA 0.280 4.404 4.120 0.008 0.000 0.278 521 V C -0.687 175.515 176.094 0.179 0.000 1.017 521 V CA -0.546 61.796 62.300 0.071 0.000 0.823 521 V CB 0.332 32.101 31.823 -0.091 0.000 1.010 521 V HN 0.857 nan 8.190 nan 0.000 0.443 522 D N 3.832 124.350 120.400 0.195 0.000 2.668 522 D HA 0.360 5.004 4.640 0.008 0.000 0.249 522 D C 1.522 177.943 176.300 0.201 0.000 1.150 522 D CA 0.061 54.209 54.000 0.247 0.000 1.090 522 D CB 0.812 41.714 40.800 0.170 0.000 1.244 522 D HN 0.308 nan 8.370 nan 0.000 0.636 523 G N -1.103 107.779 108.800 0.135 0.000 2.462 523 G HA2 -0.258 3.707 3.960 0.008 0.000 0.220 523 G HA3 -0.258 3.707 3.960 0.008 0.000 0.220 523 G C 1.120 176.111 174.900 0.151 0.000 1.121 523 G CA 0.765 45.927 45.100 0.103 0.000 0.758 523 G HN 0.492 nan 8.290 nan 0.000 0.559 524 Q N -0.272 119.594 119.800 0.110 0.000 2.403 524 Q HA 0.400 4.744 4.340 0.008 0.000 0.203 524 Q C 1.521 177.576 176.000 0.091 0.000 0.932 524 Q CA 0.288 56.145 55.803 0.090 0.000 0.945 524 Q CB 0.419 29.188 28.738 0.052 0.000 1.045 524 Q HN 0.515 nan 8.270 nan 0.000 0.511 525 G N 1.156 110.029 108.800 0.123 0.000 2.578 525 G HA2 -0.267 3.698 3.960 0.008 0.000 0.232 525 G HA3 -0.267 3.698 3.960 0.008 0.000 0.232 525 G C -0.525 174.421 174.900 0.076 0.000 1.176 525 G CA -0.657 44.502 45.100 0.099 0.000 0.968 525 G HN 0.184 nan 8.290 nan 0.000 0.583 526 I N 2.320 122.917 120.570 0.044 0.000 2.416 526 I HA 0.434 4.608 4.170 0.008 0.000 0.288 526 I C 0.372 176.517 176.117 0.047 0.000 1.051 526 I CA 0.019 61.337 61.300 0.031 0.000 1.375 526 I CB 1.133 39.130 38.000 -0.004 0.000 1.407 526 I HN 0.371 nan 8.210 nan 0.000 0.516 527 E N 3.129 123.378 120.200 0.081 0.000 2.378 527 E HA 0.285 4.639 4.350 0.008 0.000 0.265 527 E C 0.099 176.795 176.600 0.160 0.000 0.932 527 E CA -0.309 56.148 56.400 0.095 0.000 0.795 527 E CB 2.022 31.780 29.700 0.096 0.000 1.296 527 E HN 0.571 nan 8.360 nan 0.000 0.438 528 S N -1.305 114.474 115.700 0.132 0.000 2.535 528 S HA 0.055 4.529 4.470 0.008 0.000 0.214 528 S C 0.742 175.456 174.600 0.191 0.000 0.980 528 S CA 0.155 58.462 58.200 0.178 0.000 0.907 528 S CB -0.111 63.136 63.200 0.079 0.000 0.790 528 S HN 0.524 nan 8.310 nan 0.000 0.510 529 T N -0.706 113.871 114.554 0.038 0.000 2.865 529 T HA 0.731 5.086 4.350 0.008 0.000 0.294 529 T C -1.268 173.255 174.700 -0.295 0.000 1.119 529 T CA -0.893 61.062 62.100 -0.242 0.000 1.007 529 T CB 1.542 70.299 68.868 -0.186 0.000 1.225 529 T HN 0.124 nan 8.240 nan 0.000 0.515 530 L N 2.274 123.207 121.223 -0.484 0.000 2.341 530 L HA 0.667 5.012 4.340 0.008 0.000 0.278 530 L C -2.575 174.203 176.870 -0.153 0.000 1.005 530 L CA -2.232 52.453 54.840 -0.260 0.000 0.818 530 L CB 1.935 43.790 42.059 -0.340 0.000 1.259 530 L HN 0.493 nan 8.230 nan 0.000 0.418 531 P HA 0.268 nan 4.420 nan 0.000 0.276 531 P C -1.351 175.997 177.300 0.079 0.000 1.230 531 P CA -0.032 63.044 63.100 -0.039 0.000 0.776 531 P CB 1.234 32.859 31.700 -0.124 0.000 0.888 532 V N -0.003 119.962 119.914 0.084 0.000 3.120 532 V HA 0.610 4.734 4.120 0.008 0.000 0.303 532 V C -3.083 173.167 176.094 0.259 0.000 1.238 532 V CA -3.127 59.307 62.300 0.224 0.000 1.008 532 V CB 1.663 33.640 31.823 0.256 0.000 1.064 532 V HN 0.187 nan 8.190 nan 0.000 0.434 533 P HA 0.377 nan 4.420 nan 0.000 0.269 533 P C -0.157 177.432 177.300 0.483 0.000 1.215 533 P CA 0.455 63.735 63.100 0.299 0.000 0.780 533 P CB 0.499 32.309 31.700 0.183 0.000 0.898 534 A N 2.480 125.519 122.820 0.365 0.000 2.462 534 A HA 0.132 4.456 4.320 0.008 0.000 0.243 534 A C -0.575 177.309 177.584 0.500 0.000 1.076 534 A CA -0.217 52.059 52.037 0.398 0.000 0.773 534 A CB -0.379 18.772 19.000 0.252 0.000 1.010 534 A HN 0.636 nan 8.150 nan 0.000 0.493 535 W N 2.260 123.678 121.300 0.196 0.000 2.272 535 W HA 0.405 5.070 4.660 0.008 0.000 0.318 535 W C -0.298 176.250 176.519 0.050 0.000 1.255 535 W CA 0.074 57.414 57.345 -0.008 0.000 1.200 535 W CB 0.523 29.693 29.460 -0.482 0.000 1.170 535 W HN 0.718 nan 8.180 nan 0.000 0.549 536 N N 4.884 123.259 118.700 -0.543 0.000 2.314 536 N HA -0.006 4.738 4.740 0.008 0.000 0.294 536 N C 0.924 175.720 175.510 -1.189 0.000 1.029 536 N CA -0.495 52.191 53.050 -0.607 0.000 0.845 536 N CB 1.853 40.164 38.487 -0.293 0.000 1.321 536 N HN 0.642 nan 8.380 nan 0.000 0.481 537 E N 1.846 121.421 120.200 -1.041 0.000 2.118 537 E HA -0.257 4.097 4.350 0.008 0.000 0.195 537 E C -0.097 176.265 176.600 -0.398 0.000 0.992 537 E CA 1.424 57.365 56.400 -0.765 0.000 0.804 537 E CB -0.048 29.474 29.700 -0.297 0.000 0.741 537 E HN 0.551 nan 8.360 nan 0.000 0.458 538 D N 1.127 121.353 120.400 -0.289 0.000 2.269 538 D HA 0.008 4.652 4.640 0.008 0.000 0.208 538 D C 0.215 176.430 176.300 -0.142 0.000 0.963 538 D CA 0.774 54.677 54.000 -0.162 0.000 0.864 538 D CB 0.151 40.882 40.800 -0.114 0.000 0.936 538 D HN 0.353 nan 8.370 nan 0.000 0.505 539 E N 0.509 120.592 120.200 -0.195 0.000 2.288 539 E HA 0.319 4.673 4.350 0.008 0.000 0.268 539 E C -2.453 174.091 176.600 -0.093 0.000 0.885 539 E CA -2.035 54.293 56.400 -0.120 0.000 0.767 539 E CB 2.513 32.153 29.700 -0.101 0.000 1.220 539 E HN -0.115 nan 8.360 nan 0.000 0.427 540 P HA 0.007 nan 4.420 nan 0.000 0.271 540 P C -1.441 175.918 177.300 0.099 0.000 1.218 540 P CA 0.154 63.280 63.100 0.043 0.000 0.780 540 P CB 0.328 32.054 31.700 0.044 0.000 0.901 541 Y N 2.104 122.427 120.300 0.038 0.000 2.349 541 Y HA 0.438 4.993 4.550 0.008 0.000 0.324 541 Y C -0.822 175.139 175.900 0.102 0.000 1.005 541 Y CA -0.834 57.315 58.100 0.082 0.000 1.240 541 Y CB 0.981 39.531 38.460 0.149 0.000 1.117 541 Y HN 0.173 nan 8.280 nan 0.000 0.463 542 L N 6.464 127.798 121.223 0.185 0.000 2.309 542 L HA 0.555 4.899 4.340 0.008 0.000 0.282 542 L C -0.538 176.420 176.870 0.147 0.000 1.036 542 L CA -0.697 54.233 54.840 0.151 0.000 0.806 542 L CB 1.437 43.538 42.059 0.071 0.000 1.220 542 L HN 0.596 nan 8.230 nan 0.000 0.429 543 M N 1.839 121.516 119.600 0.128 0.000 2.535 543 M HA 0.495 4.979 4.480 0.008 0.000 0.314 543 M C 0.009 176.263 176.300 -0.076 0.000 1.153 543 M CA -0.402 54.917 55.300 0.031 0.000 0.924 543 M CB 1.992 34.587 32.600 -0.009 0.000 1.710 543 M HN 0.597 nan 8.290 nan 0.000 0.451 544 G N 1.744 110.439 108.800 -0.176 0.000 2.415 544 G HA2 0.743 4.707 3.960 0.008 0.000 0.327 544 G HA3 0.743 4.707 3.960 0.008 0.000 0.327 544 G C -1.626 172.938 174.900 -0.559 0.000 1.182 544 G CA -0.286 44.565 45.100 -0.416 0.000 0.924 544 G HN 0.443 nan 8.290 nan 0.000 0.470 545 F N 1.047 120.653 119.950 -0.572 0.000 2.427 545 F HA 0.616 5.147 4.527 0.008 0.000 0.346 545 F C -0.183 175.304 175.800 -0.520 0.000 1.120 545 F CA -1.007 56.755 58.000 -0.397 0.000 1.033 545 F CB 1.599 40.353 39.000 -0.409 0.000 1.126 545 F HN 0.244 nan 8.300 nan 0.000 0.462 546 F N 2.075 121.950 119.950 -0.124 0.000 2.541 546 F HA 0.608 5.140 4.527 0.008 0.000 0.331 546 F C 0.416 176.194 175.800 -0.037 0.000 1.057 546 F CA -1.113 56.785 58.000 -0.170 0.000 0.975 546 F CB 1.341 40.155 39.000 -0.310 0.000 1.246 546 F HN 0.277 nan 8.300 nan 0.000 0.484 547 L N 0.260 121.620 121.223 0.228 0.000 4.089 547 L HA -0.175 4.169 4.340 0.008 0.000 0.408 547 L C 0.528 177.633 176.870 0.392 0.000 1.184 547 L CA 0.222 55.213 54.840 0.251 0.000 0.947 547 L CB -2.147 40.041 42.059 0.215 0.000 2.066 547 L HN 0.569 nan 8.230 nan 0.000 0.851 548 V N -3.932 116.064 119.914 0.137 0.000 3.596 548 V HA 0.350 4.474 4.120 0.008 0.000 0.289 548 V C 1.974 178.094 176.094 0.044 0.000 1.336 548 V CA 0.970 63.252 62.300 -0.030 0.000 1.137 548 V CB 0.547 32.194 31.823 -0.293 0.000 0.966 548 V HN 0.338 nan 8.190 nan 0.000 0.428 549 G N 1.017 109.889 108.800 0.120 0.000 2.422 549 G HA2 0.130 4.095 3.960 0.008 0.000 0.218 549 G HA3 0.130 4.095 3.960 0.008 0.000 0.218 549 G C 0.758 175.803 174.900 0.241 0.000 1.146 549 G CA 0.698 45.901 45.100 0.172 0.000 0.769 549 G HN 1.035 nan 8.290 nan 0.000 0.547 550 A N -1.586 121.384 122.820 0.249 0.000 2.260 550 A HA 0.653 4.977 4.320 0.008 0.000 0.314 550 A C 0.086 177.831 177.584 0.269 0.000 1.257 550 A CA -0.561 51.575 52.037 0.164 0.000 0.871 550 A CB 0.544 19.659 19.000 0.191 0.000 1.166 550 A HN 0.664 nan 8.150 nan 0.000 0.522 551 Y N -0.157 120.244 120.300 0.169 0.000 4.884 551 Y HA -0.304 4.250 4.550 0.008 0.000 0.276 551 Y C 1.854 177.819 175.900 0.109 0.000 0.915 551 Y CA 1.420 59.599 58.100 0.131 0.000 1.768 551 Y CB -1.533 37.006 38.460 0.130 0.000 1.172 551 Y HN 0.682 nan 8.280 nan 0.000 0.470 552 Q N 0.498 120.436 119.800 0.230 0.000 2.046 552 Q HA -0.138 4.207 4.340 0.008 0.000 0.200 552 Q C 1.981 178.026 176.000 0.074 0.000 0.975 552 Q CA 1.963 57.835 55.803 0.115 0.000 0.836 552 Q CB -0.292 28.442 28.738 -0.008 0.000 0.896 552 Q HN 0.707 nan 8.270 nan 0.000 0.428 553 E N -0.057 120.184 120.200 0.069 0.000 2.110 553 E HA -0.130 4.225 4.350 0.008 0.000 0.193 553 E C 1.560 178.199 176.600 0.065 0.000 0.988 553 E CA 0.741 57.172 56.400 0.052 0.000 0.804 553 E CB 0.004 29.737 29.700 0.055 0.000 0.745 553 E HN 0.181 nan 8.360 nan 0.000 0.458 554 I N -0.082 120.541 120.570 0.090 0.000 3.860 554 I HA 0.008 4.183 4.170 0.008 0.000 0.319 554 I C 0.967 177.142 176.117 0.096 0.000 1.279 554 I CA 0.424 61.777 61.300 0.087 0.000 1.220 554 I CB 0.498 38.553 38.000 0.092 0.000 1.027 554 I HN 0.027 nan 8.210 nan 0.000 0.428 555 L N 0.074 121.365 121.223 0.114 0.000 2.616 555 L HA 0.357 4.701 4.340 0.008 0.000 0.229 555 L C 1.282 178.211 176.870 0.098 0.000 1.110 555 L CA -0.128 54.781 54.840 0.116 0.000 0.884 555 L CB -0.527 41.620 42.059 0.145 0.000 1.115 555 L HN 0.237 nan 8.230 nan 0.000 0.481 556 G N 1.083 109.927 108.800 0.073 0.000 2.441 556 G HA2 0.274 4.238 3.960 0.008 0.000 0.243 556 G HA3 0.274 4.238 3.960 0.008 0.000 0.243 556 G C -0.714 174.201 174.900 0.026 0.000 1.281 556 G CA -0.215 44.917 45.100 0.053 0.000 0.854 556 G HN 0.261 nan 8.290 nan 0.000 0.560 557 D N 0.846 121.255 120.400 0.016 0.000 2.493 557 D HA 0.238 4.883 4.640 0.008 0.000 0.239 557 D C 0.144 176.420 176.300 -0.040 0.000 1.049 557 D CA -0.990 52.989 54.000 -0.034 0.000 1.008 557 D CB 1.513 42.276 40.800 -0.062 0.000 1.398 557 D HN 0.294 nan 8.370 nan 0.000 0.513 558 M N 1.201 120.743 119.600 -0.096 0.000 3.607 558 M HA 0.074 4.559 4.480 0.008 0.000 0.206 558 M C -0.114 176.128 176.300 -0.098 0.000 1.314 558 M CA -0.302 54.931 55.300 -0.113 0.000 1.526 558 M CB -0.897 31.577 32.600 -0.210 0.000 1.101 558 M HN 0.285 nan 8.290 nan 0.000 0.539 559 H N 1.569 120.507 119.070 -0.220 0.000 2.848 559 H HA 0.110 4.670 4.556 0.008 0.000 0.341 559 H C 0.544 175.733 175.328 -0.232 0.000 1.060 559 H CA 1.264 57.112 56.048 -0.333 0.000 1.444 559 H CB 0.323 29.689 29.762 -0.661 0.000 1.446 559 H HN 0.588 nan 8.280 nan 0.000 0.583 560 N N 3.144 121.491 118.700 -0.587 0.000 2.753 560 N HA -0.242 4.503 4.740 0.008 0.000 0.251 560 N C -0.368 174.772 175.510 -0.617 0.000 1.097 560 N CA 0.547 53.271 53.050 -0.544 0.000 0.786 560 N CB -0.580 37.670 38.487 -0.395 0.000 1.137 560 N HN 0.726 nan 8.380 nan 0.000 0.566 561 L N -2.823 118.127 121.223 -0.455 0.000 4.040 561 L HA -0.256 4.089 4.340 0.008 0.000 0.410 561 L C -0.483 176.043 176.870 -0.572 0.000 1.187 561 L CA 0.617 55.189 54.840 -0.446 0.000 0.956 561 L CB -1.966 39.849 42.059 -0.406 0.000 2.022 561 L HN 0.119 nan 8.230 nan 0.000 0.897 562 F N 0.637 120.396 119.950 -0.318 0.000 2.438 562 F HA 0.537 5.069 4.527 0.008 0.000 0.356 562 F C 1.438 177.067 175.800 -0.286 0.000 1.099 562 F CA 0.539 58.269 58.000 -0.449 0.000 1.185 562 F CB 0.974 39.697 39.000 -0.463 0.000 1.115 562 F HN -0.014 nan 8.300 nan 0.000 0.526 563 G N 1.561 110.304 108.800 -0.095 0.000 2.671 563 G HA2 0.245 4.210 3.960 0.008 0.000 0.275 563 G HA3 0.245 4.210 3.960 0.008 0.000 0.275 563 G C -0.833 174.160 174.900 0.155 0.000 1.368 563 G CA -0.851 44.249 45.100 0.000 0.000 1.044 563 G HN 0.421 nan 8.290 nan 0.000 0.543 564 D N 0.549 121.022 120.400 0.122 0.000 2.515 564 D HA 0.223 4.868 4.640 0.008 0.000 0.232 564 D C 1.175 177.627 176.300 0.252 0.000 1.157 564 D CA 0.618 54.711 54.000 0.155 0.000 0.871 564 D CB 0.797 41.667 40.800 0.117 0.000 1.200 564 D HN 0.458 nan 8.370 nan 0.000 0.466 565 T N -0.549 114.106 114.554 0.168 0.000 2.881 565 T HA 0.220 4.574 4.350 0.008 0.000 0.278 565 T C 0.477 175.236 174.700 0.097 0.000 0.982 565 T CA -0.808 61.370 62.100 0.130 0.000 0.989 565 T CB 0.732 69.571 68.868 -0.048 0.000 1.058 565 T HN 0.235 nan 8.240 nan 0.000 0.529 566 H N 0.890 120.064 119.070 0.174 0.000 2.836 566 H HA 0.433 4.993 4.556 0.008 0.000 0.368 566 H C 0.604 175.944 175.328 0.020 0.000 1.164 566 H CA 0.041 56.108 56.048 0.032 0.000 1.425 566 H CB 0.435 30.160 29.762 -0.062 0.000 1.414 566 H HN 0.854 nan 8.280 nan 0.000 0.614 567 S N 0.453 116.239 115.700 0.143 0.000 2.549 567 S HA 0.667 5.141 4.470 0.008 0.000 0.280 567 S C -0.281 174.345 174.600 0.043 0.000 1.109 567 S CA -0.790 57.447 58.200 0.062 0.000 0.905 567 S CB 1.735 64.962 63.200 0.045 0.000 1.081 567 S HN 0.614 nan 8.310 nan 0.000 0.477 568 V N -1.220 118.693 119.914 -0.002 0.000 3.114 568 V HA 0.917 5.042 4.120 0.008 0.000 0.308 568 V C -1.128 174.939 176.094 -0.046 0.000 1.168 568 V CA -0.894 61.402 62.300 -0.007 0.000 1.015 568 V CB 1.508 33.308 31.823 -0.038 0.000 1.050 568 V HN 0.823 nan 8.190 nan 0.000 0.433 569 V N 2.532 122.441 119.914 -0.007 0.000 2.417 569 V HA 0.654 4.779 4.120 0.008 0.000 0.291 569 V C -0.358 175.680 176.094 -0.094 0.000 1.024 569 V CA -0.419 61.865 62.300 -0.026 0.000 0.861 569 V CB 1.655 33.570 31.823 0.154 0.000 0.985 569 V HN 0.797 nan 8.190 nan 0.000 0.436 570 V N 4.927 124.748 119.914 -0.154 0.000 2.444 570 V HA 0.459 4.584 4.120 0.008 0.000 0.294 570 V C -0.370 175.767 176.094 0.072 0.000 1.022 570 V CA -0.761 61.500 62.300 -0.066 0.000 0.850 570 V CB 1.973 33.742 31.823 -0.091 0.000 0.992 570 V HN 0.961 nan 8.190 nan 0.000 0.426 571 N N 2.717 121.456 118.700 0.065 0.000 2.372 571 N HA 0.581 5.325 4.740 0.008 0.000 0.291 571 N C -0.845 174.723 175.510 0.097 0.000 1.024 571 N CA -0.515 52.595 53.050 0.100 0.000 0.873 571 N CB 2.317 40.837 38.487 0.055 0.000 1.206 571 N HN 0.430 nan 8.380 nan 0.000 0.486 572 V N 1.726 121.713 119.914 0.121 0.000 2.385 572 V HA 0.455 4.579 4.120 0.008 0.000 0.269 572 V C 1.116 177.244 176.094 0.055 0.000 1.043 572 V CA -0.559 61.791 62.300 0.083 0.000 0.906 572 V CB 0.742 32.627 31.823 0.104 0.000 0.995 572 V HN 0.772 nan 8.190 nan 0.000 0.467 573 G N 2.737 111.541 108.800 0.007 0.000 2.599 573 G HA2 0.174 4.139 3.960 0.008 0.000 0.264 573 G HA3 0.174 4.139 3.960 0.008 0.000 0.264 573 G C 0.571 175.467 174.900 -0.006 0.000 1.200 573 G CA -0.348 44.750 45.100 -0.003 0.000 0.896 573 G HN 0.704 nan 8.290 nan 0.000 0.536 574 D N -0.270 120.141 120.400 0.020 0.000 2.182 574 D HA -0.099 4.546 4.640 0.008 0.000 0.201 574 D C 1.972 178.313 176.300 0.067 0.000 0.986 574 D CA 1.103 55.143 54.000 0.067 0.000 0.847 574 D CB 0.230 41.059 40.800 0.049 0.000 0.942 574 D HN 0.218 nan 8.370 nan 0.000 0.467 575 Q N -0.877 118.875 119.800 -0.079 0.000 2.319 575 Q HA 0.276 4.620 4.340 0.008 0.000 0.202 575 Q C 1.050 176.667 176.000 -0.638 0.000 0.896 575 Q CA 0.296 55.985 55.803 -0.190 0.000 0.942 575 Q CB 0.629 29.312 28.738 -0.092 0.000 1.083 575 Q HN 0.338 nan 8.270 nan 0.000 0.510 576 G N 0.551 108.902 108.800 -0.749 0.000 2.131 576 G HA2 -0.273 3.692 3.960 0.008 0.000 0.223 576 G HA3 -0.273 3.692 3.960 0.008 0.000 0.223 576 G C -0.047 174.707 174.900 -0.244 0.000 0.990 576 G CA 0.174 44.865 45.100 -0.682 0.000 0.671 576 G HN 0.350 nan 8.290 nan 0.000 0.521 577 E N 0.011 120.116 120.200 -0.159 0.000 2.392 577 E HA 0.395 4.750 4.350 0.008 0.000 0.264 577 E C 0.511 177.089 176.600 -0.036 0.000 1.024 577 E CA -0.630 55.723 56.400 -0.079 0.000 0.903 577 E CB 0.277 29.941 29.700 -0.060 0.000 0.963 577 E HN 0.342 nan 8.360 nan 0.000 0.432 578 I N 4.618 125.181 120.570 -0.012 0.000 2.347 578 I HA 0.053 4.228 4.170 0.008 0.000 0.294 578 I C -0.364 175.754 176.117 0.002 0.000 1.090 578 I CA 0.099 61.411 61.300 0.020 0.000 1.314 578 I CB 0.310 38.333 38.000 0.038 0.000 1.423 578 I HN 0.431 nan 8.210 nan 0.000 0.503 579 N N 7.700 126.400 118.700 0.000 0.000 2.437 579 N HA 0.429 5.173 4.740 0.008 0.000 0.259 579 N C -0.707 174.771 175.510 -0.054 0.000 0.983 579 N CA -0.467 52.563 53.050 -0.034 0.000 0.937 579 N CB 1.386 39.847 38.487 -0.042 0.000 1.122 579 N HN 0.449 nan 8.380 nan 0.000 0.499 580 I N 2.050 122.578 120.570 -0.071 0.000 2.310 580 I HA 0.149 4.324 4.170 0.008 0.000 0.287 580 I C 0.013 176.038 176.117 -0.153 0.000 1.073 580 I CA -0.279 60.968 61.300 -0.089 0.000 1.216 580 I CB 0.799 38.764 38.000 -0.057 0.000 1.415 580 I HN 0.562 nan 8.210 nan 0.000 0.480 581 D N 4.766 125.011 120.400 -0.258 0.000 2.327 581 D HA 0.130 4.775 4.640 0.008 0.000 0.205 581 D C -0.083 175.741 176.300 -0.792 0.000 0.989 581 D CA 1.210 54.876 54.000 -0.557 0.000 0.873 581 D CB 0.537 40.890 40.800 -0.745 0.000 0.955 581 D HN 0.226 nan 8.370 nan 0.000 0.515 582 F N -0.122 119.821 119.950 -0.013 0.000 2.613 582 F HA 0.510 5.042 4.527 0.008 0.000 0.310 582 F C -0.414 175.373 175.800 -0.022 0.000 1.085 582 F CA -1.015 56.979 58.000 -0.011 0.000 0.945 582 F CB 1.983 40.982 39.000 -0.001 0.000 1.298 582 F HN -0.377 nan 8.300 nan 0.000 0.455 583 I N 2.539 123.219 120.570 0.184 0.000 2.586 583 I HA 0.275 4.450 4.170 0.008 0.000 0.288 583 I C -1.285 174.876 176.117 0.074 0.000 1.147 583 I CA -0.610 60.736 61.300 0.077 0.000 1.047 583 I CB 1.944 39.951 38.000 0.011 0.000 1.244 583 I HN 0.467 nan 8.210 nan 0.000 0.429 584 N N 6.083 124.826 118.700 0.073 0.000 2.417 584 N HA 0.294 5.039 4.740 0.008 0.000 0.274 584 N C -0.750 174.828 175.510 0.113 0.000 0.987 584 N CA -0.529 52.568 53.050 0.079 0.000 0.912 584 N CB 2.051 40.583 38.487 0.076 0.000 1.177 584 N HN 0.555 nan 8.380 nan 0.000 0.490 585 E N 0.503 120.770 120.200 0.111 0.000 2.360 585 E HA 0.212 4.567 4.350 0.008 0.000 0.269 585 E C 0.754 177.512 176.600 0.262 0.000 1.022 585 E CA -0.355 56.169 56.400 0.205 0.000 0.887 585 E CB 1.161 30.916 29.700 0.091 0.000 0.990 585 E HN 0.514 nan 8.360 nan 0.000 0.426 586 G N 2.520 111.533 108.800 0.355 0.000 2.621 586 G HA2 0.012 3.977 3.960 0.008 0.000 0.271 586 G HA3 0.012 3.977 3.960 0.008 0.000 0.271 586 G C -0.151 174.887 174.900 0.230 0.000 1.236 586 G CA -0.543 44.670 45.100 0.189 0.000 0.958 586 G HN 0.444 nan 8.290 nan 0.000 0.512 587 D N -0.149 120.405 120.400 0.256 0.000 2.341 587 D HA 0.351 4.995 4.640 0.008 0.000 0.245 587 D C 1.020 177.462 176.300 0.237 0.000 1.106 587 D CA 0.279 54.402 54.000 0.205 0.000 0.905 587 D CB 1.387 42.269 40.800 0.137 0.000 1.202 587 D HN 0.446 nan 8.370 nan 0.000 0.426 588 T N -2.481 112.176 114.554 0.173 0.000 2.897 588 T HA 0.248 4.602 4.350 0.008 0.000 0.278 588 T C 1.563 176.306 174.700 0.072 0.000 0.981 588 T CA -0.839 61.352 62.100 0.152 0.000 0.973 588 T CB 0.722 69.666 68.868 0.126 0.000 1.092 588 T HN 0.033 nan 8.240 nan 0.000 0.543 589 V N 0.608 120.546 119.914 0.039 0.000 2.392 589 V HA -0.147 3.978 4.120 0.008 0.000 0.249 589 V C 2.782 178.879 176.094 0.006 0.000 1.059 589 V CA 2.280 64.571 62.300 -0.016 0.000 1.051 589 V CB -1.092 30.717 31.823 -0.023 0.000 0.658 589 V HN 1.032 nan 8.190 nan 0.000 0.455 590 E N 0.073 120.295 120.200 0.037 0.000 2.072 590 E HA -0.246 4.108 4.350 0.008 0.000 0.191 590 E C 1.919 178.549 176.600 0.050 0.000 0.985 590 E CA 1.385 57.808 56.400 0.039 0.000 0.801 590 E CB -0.081 29.647 29.700 0.047 0.000 0.750 590 E HN 0.614 nan 8.360 nan 0.000 0.452 591 D N 0.475 120.921 120.400 0.077 0.000 2.133 591 D HA -0.233 4.411 4.640 0.008 0.000 0.192 591 D C 1.957 178.370 176.300 0.188 0.000 1.001 591 D CA 1.311 55.388 54.000 0.129 0.000 0.844 591 D CB -0.226 40.673 40.800 0.164 0.000 0.944 591 D HN 0.294 nan 8.370 nan 0.000 0.447 592 M N -0.279 119.383 119.600 0.103 0.000 2.117 592 M HA -0.054 4.431 4.480 0.008 0.000 0.262 592 M C 2.421 178.743 176.300 0.037 0.000 1.065 592 M CA 1.017 56.348 55.300 0.052 0.000 1.114 592 M CB -0.804 31.745 32.600 -0.084 0.000 1.361 592 M HN 0.078 nan 8.290 nan 0.000 0.408 593 M N -0.912 118.693 119.600 0.008 0.000 2.117 593 M HA -0.190 4.294 4.480 0.008 0.000 0.262 593 M C 2.343 178.644 176.300 0.000 0.000 1.065 593 M CA 1.530 56.823 55.300 -0.012 0.000 1.114 593 M CB -0.450 32.141 32.600 -0.014 0.000 1.361 593 M HN 0.183 nan 8.290 nan 0.000 0.408 594 R N -0.571 119.939 120.500 0.017 0.000 2.096 594 R HA -0.180 4.165 4.340 0.008 0.000 0.235 594 R C 1.956 178.237 176.300 -0.033 0.000 1.127 594 R CA 1.607 57.704 56.100 -0.006 0.000 0.968 594 R CB -0.250 30.035 30.300 -0.025 0.000 0.861 594 R HN 0.317 nan 8.270 nan 0.000 0.440 595 Y N -0.045 120.204 120.300 -0.085 0.000 2.274 595 Y HA -0.165 4.389 4.550 0.008 0.000 0.290 595 Y C 1.889 177.575 175.900 -0.358 0.000 1.145 595 Y CA 1.580 59.593 58.100 -0.145 0.000 1.203 595 Y CB 0.261 38.651 38.460 -0.115 0.000 0.984 595 Y HN 0.044 nan 8.280 nan 0.000 0.533 596 V N -2.972 116.849 119.914 -0.155 0.000 3.421 596 V HA 0.188 4.313 4.120 0.008 0.000 0.316 596 V C -0.268 175.652 176.094 -0.290 0.000 1.347 596 V CA 0.136 62.243 62.300 -0.322 0.000 1.183 596 V CB -0.840 30.892 31.823 -0.151 0.000 1.092 596 V HN 0.560 nan 8.190 nan 0.000 0.433 597 H N -1.585 117.488 119.070 0.005 0.000 2.969 597 H HA -0.116 4.445 4.556 0.008 0.000 0.269 597 H C 0.129 175.442 175.328 -0.025 0.000 1.230 597 H CA 0.932 56.969 56.048 -0.019 0.000 1.123 597 H CB -2.179 27.573 29.762 -0.017 0.000 1.289 597 H HN 0.572 nan 8.280 nan 0.000 0.364 598 I N 1.303 121.901 120.570 0.048 0.000 2.428 598 I HA 0.049 4.224 4.170 0.008 0.000 0.289 598 I C 1.054 177.176 176.117 0.008 0.000 1.019 598 I CA -0.128 61.180 61.300 0.014 0.000 1.351 598 I CB 0.873 38.864 38.000 -0.015 0.000 1.412 598 I HN -0.018 nan 8.210 nan 0.000 0.513 599 D N 5.878 126.274 120.400 -0.007 0.000 2.435 599 D HA 0.086 4.731 4.640 0.008 0.000 0.230 599 D C 0.875 177.158 176.300 -0.028 0.000 1.215 599 D CA 0.048 54.038 54.000 -0.017 0.000 0.947 599 D CB 1.036 41.822 40.800 -0.023 0.000 1.048 599 D HN 0.249 nan 8.370 nan 0.000 0.512 600 V N 3.573 123.476 119.914 -0.018 0.000 2.427 600 V HA -0.192 3.933 4.120 0.008 0.000 0.248 600 V C 1.776 177.861 176.094 -0.015 0.000 1.051 600 V CA 1.441 63.733 62.300 -0.015 0.000 1.048 600 V CB -0.169 31.656 31.823 0.003 0.000 0.666 600 V HN 0.512 nan 8.190 nan 0.000 0.456 601 D N -0.555 119.837 120.400 -0.013 0.000 2.144 601 D HA -0.187 4.458 4.640 0.008 0.000 0.200 601 D C 2.192 178.477 176.300 -0.025 0.000 0.978 601 D CA 1.194 55.187 54.000 -0.012 0.000 0.833 601 D CB -0.104 40.688 40.800 -0.013 0.000 0.961 601 D HN 0.379 nan 8.370 nan 0.000 0.470 602 Q N 0.417 120.195 119.800 -0.037 0.000 2.124 602 Q HA -0.098 4.246 4.340 0.008 0.000 0.202 602 Q C 1.982 177.933 176.000 -0.081 0.000 0.977 602 Q CA 0.823 56.596 55.803 -0.050 0.000 0.850 602 Q CB -0.144 28.564 28.738 -0.049 0.000 0.901 602 Q HN 0.180 nan 8.270 nan 0.000 0.429 603 I N 0.019 120.523 120.570 -0.110 0.000 2.252 603 I HA -0.189 3.986 4.170 0.008 0.000 0.245 603 I C 2.192 178.175 176.117 -0.223 0.000 1.102 603 I CA 1.237 62.397 61.300 -0.232 0.000 1.385 603 I CB -1.033 36.833 38.000 -0.223 0.000 1.064 603 I HN 0.270 nan 8.210 nan 0.000 0.414 604 R N 0.782 121.259 120.500 -0.038 0.000 2.096 604 R HA -0.258 4.086 4.340 0.008 0.000 0.240 604 R C 2.287 178.688 176.300 0.167 0.000 1.139 604 R CA 1.956 58.123 56.100 0.113 0.000 0.952 604 R CB -0.306 30.049 30.300 0.091 0.000 0.854 604 R HN 0.154 nan 8.270 nan 0.000 0.436 605 K N 1.000 121.433 120.400 0.055 0.000 2.002 605 K HA -0.127 4.198 4.320 0.008 0.000 0.209 605 K C 1.566 178.215 176.600 0.082 0.000 1.048 605 K CA 1.825 58.143 56.287 0.051 0.000 0.930 605 K CB -0.350 32.145 32.500 -0.009 0.000 0.714 605 K HN 0.097 nan 8.250 nan 0.000 0.438 606 N N -0.267 118.426 118.700 -0.013 0.000 2.272 606 N HA -0.173 4.572 4.740 0.008 0.000 0.185 606 N C 1.564 177.101 175.510 0.045 0.000 1.014 606 N CA 1.108 54.138 53.050 -0.033 0.000 0.870 606 N CB -0.405 37.998 38.487 -0.140 0.000 0.975 606 N HN 0.251 nan 8.380 nan 0.000 0.433 607 Y N 0.757 121.093 120.300 0.060 0.000 2.242 607 Y HA -0.102 4.452 4.550 0.008 0.000 0.291 607 Y C 2.261 178.153 175.900 -0.014 0.000 1.137 607 Y CA 0.730 58.840 58.100 0.017 0.000 1.181 607 Y CB -0.858 37.604 38.460 0.003 0.000 0.989 607 Y HN 0.248 nan 8.280 nan 0.000 0.527 608 H N -1.640 117.527 119.070 0.162 0.000 2.321 608 H HA -0.135 4.426 4.556 0.008 0.000 0.300 608 H C 2.594 177.959 175.328 0.062 0.000 1.087 608 H CA 1.781 57.882 56.048 0.087 0.000 1.319 608 H CB -0.380 29.417 29.762 0.059 0.000 1.379 608 H HN 0.147 nan 8.280 nan 0.000 0.501 609 S N -0.202 115.599 115.700 0.169 0.000 2.365 609 S HA -0.181 4.294 4.470 0.008 0.000 0.221 609 S C 2.155 176.798 174.600 0.073 0.000 1.037 609 S CA 1.478 59.735 58.200 0.095 0.000 1.060 609 S CB -0.491 62.749 63.200 0.066 0.000 0.974 609 S HN 0.241 nan 8.310 nan 0.000 0.427 610 L N 1.168 122.442 121.223 0.086 0.000 2.012 610 L HA -0.046 4.298 4.340 0.008 0.000 0.210 610 L C 2.465 179.362 176.870 0.045 0.000 1.073 610 L CA 1.500 56.385 54.840 0.075 0.000 0.748 610 L CB -0.765 41.369 42.059 0.125 0.000 0.891 610 L HN 0.220 nan 8.230 nan 0.000 0.431 611 V N -0.787 119.143 119.914 0.028 0.000 2.270 611 V HA -0.278 3.847 4.120 0.008 0.000 0.245 611 V C 2.603 178.689 176.094 -0.014 0.000 1.043 611 V CA 1.798 64.084 62.300 -0.022 0.000 1.014 611 V CB -0.698 31.073 31.823 -0.088 0.000 0.645 611 V HN 0.723 nan 8.190 nan 0.000 0.447 612 S N -0.073 115.627 115.700 -0.001 0.000 2.419 612 S HA -0.290 4.185 4.470 0.008 0.000 0.235 612 S C 1.733 176.341 174.600 0.012 0.000 1.019 612 S CA 1.603 59.809 58.200 0.010 0.000 0.982 612 S CB -0.481 62.738 63.200 0.031 0.000 0.789 612 S HN 0.750 nan 8.310 nan 0.000 0.490 613 Q N 0.025 119.835 119.800 0.017 0.000 2.424 613 Q HA 0.248 4.593 4.340 0.008 0.000 0.204 613 Q C 1.826 177.831 176.000 0.008 0.000 0.933 613 Q CA 0.369 56.180 55.803 0.014 0.000 0.929 613 Q CB 0.115 28.864 28.738 0.018 0.000 1.037 613 Q HN 0.537 nan 8.270 nan 0.000 0.511 614 R N -0.633 119.870 120.500 0.004 0.000 2.521 614 R HA 0.234 4.579 4.340 0.008 0.000 0.289 614 R C -0.604 175.691 176.300 -0.008 0.000 0.936 614 R CA 0.018 56.118 56.100 0.000 0.000 1.089 614 R CB 1.637 31.940 30.300 0.004 0.000 1.348 614 R HN -0.105 nan 8.270 nan 0.000 0.536 615 V N 1.932 121.839 119.914 -0.013 0.000 2.540 615 V HA 0.183 4.308 4.120 0.008 0.000 0.302 615 V C -0.775 175.309 176.094 -0.016 0.000 1.035 615 V CA -1.101 61.187 62.300 -0.020 0.000 0.873 615 V CB 2.051 33.853 31.823 -0.034 0.000 0.992 615 V HN 0.060 nan 8.190 nan 0.000 0.428 616 D N 2.431 122.822 120.400 -0.015 0.000 2.525 616 D HA -0.025 4.620 4.640 0.008 0.000 0.235 616 D C 1.069 177.361 176.300 -0.012 0.000 1.137 616 D CA 0.507 54.501 54.000 -0.011 0.000 0.868 616 D CB 0.640 41.434 40.800 -0.011 0.000 1.180 616 D HN 0.658 nan 8.370 nan 0.000 0.465 617 Q N 1.725 121.520 119.800 -0.008 0.000 2.112 617 Q HA -0.301 4.044 4.340 0.008 0.000 0.206 617 Q C 1.449 177.444 176.000 -0.009 0.000 0.987 617 Q CA 1.663 57.462 55.803 -0.007 0.000 0.858 617 Q CB 0.058 28.795 28.738 -0.002 0.000 0.905 617 Q HN 0.598 nan 8.270 nan 0.000 0.420 618 E N -0.248 119.947 120.200 -0.009 0.000 2.401 618 E HA -0.162 4.193 4.350 0.008 0.000 0.199 618 E C 1.220 177.812 176.600 -0.013 0.000 1.023 618 E CA 0.949 57.343 56.400 -0.009 0.000 0.859 618 E CB 0.216 29.912 29.700 -0.007 0.000 0.780 618 E HN 0.402 nan 8.360 nan 0.000 0.523 619 E N -0.688 119.502 120.200 -0.018 0.000 2.389 619 E HA -0.033 4.322 4.350 0.008 0.000 0.199 619 E C 1.780 178.358 176.600 -0.036 0.000 0.978 619 E CA -0.039 56.346 56.400 -0.026 0.000 0.912 619 E CB 0.246 29.930 29.700 -0.027 0.000 0.907 619 E HN 0.347 nan 8.360 nan 0.000 0.494 620 Q N 0.761 120.540 119.800 -0.035 0.000 2.045 620 Q HA -0.223 4.122 4.340 0.008 0.000 0.206 620 Q C 2.119 178.081 176.000 -0.063 0.000 0.991 620 Q CA 1.251 57.023 55.803 -0.052 0.000 0.851 620 Q CB -0.094 28.621 28.738 -0.039 0.000 0.911 620 Q HN 0.185 nan 8.270 nan 0.000 0.418 621 Q N 0.415 120.192 119.800 -0.038 0.000 2.181 621 Q HA -0.215 4.130 4.340 0.008 0.000 0.205 621 Q C 2.011 177.989 176.000 -0.037 0.000 0.980 621 Q CA 1.335 57.120 55.803 -0.030 0.000 0.862 621 Q CB -0.228 28.506 28.738 -0.006 0.000 0.905 621 Q HN 0.322 nan 8.270 nan 0.000 0.429 622 Q N 0.742 120.520 119.800 -0.037 0.000 2.046 622 Q HA -0.042 4.302 4.340 0.008 0.000 0.200 622 Q C 1.953 177.919 176.000 -0.056 0.000 0.975 622 Q CA 1.285 57.066 55.803 -0.037 0.000 0.836 622 Q CB -0.219 28.501 28.738 -0.031 0.000 0.896 622 Q HN 0.418 nan 8.270 nan 0.000 0.428 623 I N -0.535 119.989 120.570 -0.077 0.000 2.286 623 I HA -0.209 3.965 4.170 0.008 0.000 0.245 623 I C 1.625 177.654 176.117 -0.146 0.000 1.104 623 I CA 0.347 61.582 61.300 -0.107 0.000 1.397 623 I CB -0.176 37.758 38.000 -0.111 0.000 1.072 623 I HN 0.233 nan 8.210 nan 0.000 0.417 624 L N 0.865 121.994 121.223 -0.157 0.000 2.083 624 L HA -0.141 4.203 4.340 0.008 0.000 0.209 624 L C 2.680 179.487 176.870 -0.105 0.000 1.083 624 L CA 2.042 56.763 54.840 -0.200 0.000 0.752 624 L CB -1.433 40.448 42.059 -0.296 0.000 0.899 624 L HN 0.190 nan 8.230 nan 0.000 0.433 625 A N -1.203 121.580 122.820 -0.062 0.000 1.969 625 A HA -0.174 4.151 4.320 0.008 0.000 0.218 625 A C 2.195 179.762 177.584 -0.029 0.000 1.169 625 A CA 1.337 53.361 52.037 -0.021 0.000 0.635 625 A CB -0.322 18.672 19.000 -0.010 0.000 0.810 625 A HN 0.512 nan 8.150 nan 0.000 0.445 626 E N -0.251 119.916 120.200 -0.056 0.000 2.112 626 E HA -0.066 4.288 4.350 0.008 0.000 0.190 626 E C 1.883 178.437 176.600 -0.076 0.000 0.979 626 E CA 0.836 57.202 56.400 -0.057 0.000 0.814 626 E CB -0.234 29.428 29.700 -0.064 0.000 0.762 626 E HN 0.621 nan 8.360 nan 0.000 0.460 627 L N 1.176 122.317 121.223 -0.137 0.000 2.083 627 L HA -0.193 4.152 4.340 0.008 0.000 0.209 627 L C 2.336 179.183 176.870 -0.038 0.000 1.083 627 L CA 1.195 55.929 54.840 -0.175 0.000 0.752 627 L CB -0.291 41.509 42.059 -0.432 0.000 0.899 627 L HN 0.103 nan 8.230 nan 0.000 0.433 628 E N -0.321 119.879 120.200 -0.000 0.000 2.076 628 E HA -0.202 4.153 4.350 0.008 0.000 0.190 628 E C 2.195 178.824 176.600 0.048 0.000 0.979 628 E CA 0.784 57.219 56.400 0.058 0.000 0.807 628 E CB -0.092 29.658 29.700 0.084 0.000 0.761 628 E HN 0.562 nan 8.360 nan 0.000 0.454 629 Q N 0.287 120.106 119.800 0.030 0.000 2.181 629 Q HA -0.130 4.214 4.340 0.008 0.000 0.205 629 Q C 2.202 178.225 176.000 0.038 0.000 0.980 629 Q CA 1.271 57.095 55.803 0.035 0.000 0.862 629 Q CB -0.258 28.496 28.738 0.027 0.000 0.905 629 Q HN 0.310 nan 8.270 nan 0.000 0.429 630 G N 0.857 109.670 108.800 0.021 0.000 2.433 630 G HA2 -0.239 3.725 3.960 0.008 0.000 0.216 630 G HA3 -0.239 3.725 3.960 0.008 0.000 0.216 630 G C 1.343 176.264 174.900 0.036 0.000 1.186 630 G CA 0.656 45.768 45.100 0.019 0.000 0.779 630 G HN 0.201 nan 8.290 nan 0.000 0.543 631 L N 0.816 122.072 121.223 0.053 0.000 2.012 631 L HA -0.090 4.254 4.340 0.008 0.000 0.210 631 L C 2.950 179.856 176.870 0.062 0.000 1.073 631 L CA 1.477 56.355 54.840 0.063 0.000 0.748 631 L CB -0.350 41.761 42.059 0.087 0.000 0.891 631 L HN 0.163 nan 8.230 nan 0.000 0.431 632 S N -0.476 115.264 115.700 0.066 0.000 2.603 632 S HA 0.093 4.568 4.470 0.008 0.000 0.220 632 S C 0.958 175.613 174.600 0.092 0.000 0.967 632 S CA 0.260 58.504 58.200 0.073 0.000 0.920 632 S CB -0.213 63.026 63.200 0.065 0.000 0.773 632 S HN 0.470 nan 8.310 nan 0.000 0.529 633 G N 0.053 108.912 108.800 0.098 0.000 2.476 633 G HA2 0.393 4.357 3.960 0.008 0.000 0.269 633 G HA3 0.393 4.357 3.960 0.008 0.000 0.269 633 G C -0.533 174.494 174.900 0.211 0.000 1.195 633 G CA -0.659 44.526 45.100 0.143 0.000 0.843 633 G HN 0.411 nan 8.290 nan 0.000 0.545 634 Y N 0.549 120.910 120.300 0.103 0.000 2.903 634 Y HA -0.108 4.446 4.550 0.008 0.000 0.338 634 Y C 2.409 178.347 175.900 0.063 0.000 1.265 634 Y CA 0.490 58.658 58.100 0.113 0.000 1.532 634 Y CB 0.948 39.514 38.460 0.176 0.000 1.293 634 Y HN 0.728 nan 8.280 nan 0.000 0.609 635 T N 2.049 116.577 114.554 -0.042 0.000 2.881 635 T HA -0.171 4.184 4.350 0.008 0.000 0.270 635 T C 0.275 174.782 174.700 -0.322 0.000 1.068 635 T CA 0.751 62.692 62.100 -0.266 0.000 1.131 635 T CB -0.399 68.225 68.868 -0.407 0.000 0.871 635 T HN 0.481 nan 8.240 nan 0.000 0.479 636 Y N 1.179 121.305 120.300 -0.290 0.000 2.281 636 Y HA 0.542 5.097 4.550 0.008 0.000 0.337 636 Y C 1.042 176.918 175.900 -0.039 0.000 1.304 636 Y CA -1.357 56.616 58.100 -0.211 0.000 1.465 636 Y CB 0.346 38.485 38.460 -0.535 0.000 1.350 636 Y HN 0.047 nan 8.280 nan 0.000 0.575 637 L N 0.360 121.687 121.223 0.173 0.000 2.431 637 L HA 0.442 4.787 4.340 0.008 0.000 0.260 637 L C -0.402 176.554 176.870 0.143 0.000 1.098 637 L CA -0.901 54.021 54.840 0.136 0.000 0.800 637 L CB 0.786 42.911 42.059 0.109 0.000 1.210 637 L HN 0.536 nan 8.230 nan 0.000 0.465 638 E N -0.285 119.987 120.200 0.119 0.000 2.191 638 E HA 0.184 4.539 4.350 0.008 0.000 0.274 638 E C -1.150 175.512 176.600 0.103 0.000 0.948 638 E CA -0.665 55.806 56.400 0.118 0.000 0.802 638 E CB 1.614 31.376 29.700 0.105 0.000 1.137 638 E HN 0.570 nan 8.360 nan 0.000 0.397 639 D N 0.000 120.466 120.400 0.111 0.000 6.856 639 D HA 0.000 4.645 4.640 0.008 0.000 0.175 639 D CA 0.000 54.068 54.000 0.114 0.000 0.868 639 D CB 0.000 40.877 40.800 0.129 0.000 0.688 639 D HN 0.000 nan 8.370 nan 0.000 0.683