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 2vmk_1_D DATA FIRST_RESID 1 DATA SEQUENCE MKRMLINATX XXXLRVALVD GQRLYDLDIX XXXXXQKKAN IYKGKITRIE DATA SEQUENCE PSLEAAFVDX XAERHGFLPL KEIAREYFPX XXXXXXRPNI KDVLREGQEV DATA SEQUENCE IVQIDKEERX XXXXALTTFI SLAGSYLVLM PNNPRAGGXX XXXXXDDRTE DATA SEQUENCE LKEALASLEL PEGMGLIVRT AXXXXSAEAL QWDLSFRLKH WEAIKKAAES DATA SEQUENCE RPAPFLIHQE SNVIVRAFRD YLRQDIGEIL IDNPKVLELA RQHIAALGRP DATA SEQUENCE DFSSKIKLYT GEIPLFSHYQ IESQIESAFQ REVRLPSGGS IVIDSTEALT DATA SEQUENCE AIDINSAXXX XXXDIEETAF NTNLEAADEI ARQLRLRDLG GLIVIDFIDM DATA SEQUENCE TPVRHQRAVE NRLREAVRQD RARIQISHIS RFGLLEMSRQ RLSXXLGESS DATA SEQUENCE HHVCPRCSGT GTVRDNESLS LSILRLIEEE ALKENTQEVH AIVPVPIASY DATA SEQUENCE LLNEKRSAVN AIETRQDGVR CVIVPNDQME TPHYHVLRVR KGEETPTLSY DATA SEQUENCE MLPKLHEEAM ALPSE VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.332 176.300 0.053 0.000 1.140 1 M CA 0.000 55.328 55.300 0.047 0.000 0.988 1 M CB 0.000 32.642 32.600 0.070 0.000 1.302 2 K N 3.830 124.257 120.400 0.045 0.000 2.227 2 K HA 0.630 4.950 4.320 0.001 0.000 0.280 2 K C -0.667 175.975 176.600 0.071 0.000 1.041 2 K CA -0.516 55.816 56.287 0.076 0.000 0.905 2 K CB 1.611 34.150 32.500 0.064 0.000 1.068 2 K HN 0.602 nan 8.250 nan 0.000 0.470 3 R N 1.796 122.323 120.500 0.045 0.000 2.854 3 R HA 0.424 4.764 4.340 0.001 0.000 0.271 3 R C -0.604 175.661 176.300 -0.059 0.000 0.996 3 R CA -0.866 55.216 56.100 -0.031 0.000 0.961 3 R CB 2.090 32.295 30.300 -0.160 0.000 1.182 3 R HN 0.494 nan 8.270 nan 0.000 0.479 4 M N 3.960 123.533 119.600 -0.044 0.000 2.036 4 M HA 0.339 4.819 4.480 0.001 0.000 0.337 4 M C -1.541 174.721 176.300 -0.065 0.000 1.012 4 M CA -0.548 54.722 55.300 -0.050 0.000 0.962 4 M CB 0.574 33.214 32.600 0.065 0.000 1.423 4 M HN 0.433 nan 8.290 nan 0.000 0.405 5 L N 6.185 127.319 121.223 -0.149 0.000 2.290 5 L HA 0.434 4.774 4.340 0.001 0.000 0.284 5 L C -0.555 176.394 176.870 0.130 0.000 1.078 5 L CA -0.239 54.563 54.840 -0.063 0.000 0.815 5 L CB 0.819 42.764 42.059 -0.189 0.000 1.162 5 L HN 0.682 nan 8.230 nan 0.000 0.435 6 I N 3.718 124.367 120.570 0.131 0.000 2.405 6 I HA 0.174 4.344 4.170 0.001 0.000 0.280 6 I C 0.038 176.169 176.117 0.023 0.000 1.027 6 I CA -0.190 61.164 61.300 0.090 0.000 1.161 6 I CB 1.078 39.106 38.000 0.047 0.000 1.300 6 I HN 0.643 nan 8.210 nan 0.000 0.463 7 N N 5.528 124.157 118.700 -0.118 0.000 2.401 7 N HA 0.370 5.111 4.740 0.001 0.000 0.255 7 N C 0.161 175.555 175.510 -0.192 0.000 1.110 7 N CA 0.067 52.921 53.050 -0.326 0.000 0.949 7 N CB 1.086 39.016 38.487 -0.929 0.000 1.110 7 N HN 0.761 nan 8.380 nan 0.000 0.490 8 A N 2.723 125.478 122.820 -0.108 0.000 2.605 8 A HA 0.143 4.463 4.320 0.001 0.000 0.292 8 A C 0.535 178.091 177.584 -0.047 0.000 1.055 8 A CA -0.477 51.520 52.037 -0.065 0.000 0.969 8 A CB -0.201 18.781 19.000 -0.029 0.000 1.236 8 A HN 0.688 nan 8.150 nan 0.000 0.534 15 R N 3.982 124.436 120.500 -0.077 0.000 2.494 15 R HA 0.883 5.223 4.340 0.001 0.000 0.305 15 R C -1.349 174.975 176.300 0.041 0.000 0.959 15 R CA -0.960 55.123 56.100 -0.027 0.000 0.864 15 R CB 2.502 32.771 30.300 -0.051 0.000 1.159 15 R HN 0.363 nan 8.270 nan 0.000 0.446 16 V N 2.135 122.063 119.914 0.024 0.000 2.444 16 V HA 0.597 4.717 4.120 0.001 0.000 0.294 16 V C -0.503 175.517 176.094 -0.122 0.000 1.022 16 V CA -0.738 61.547 62.300 -0.025 0.000 0.850 16 V CB 1.643 33.395 31.823 -0.118 0.000 0.992 16 V HN 0.915 nan 8.190 nan 0.000 0.426 17 A N 6.038 128.782 122.820 -0.127 0.000 2.330 17 A HA 0.836 5.157 4.320 0.001 0.000 0.313 17 A C -0.845 176.490 177.584 -0.416 0.000 1.124 17 A CA -0.541 51.283 52.037 -0.354 0.000 0.774 17 A CB 0.918 19.581 19.000 -0.562 0.000 1.198 17 A HN 0.806 nan 8.150 nan 0.000 0.465 18 L N 3.037 123.931 121.223 -0.548 0.000 2.281 18 L HA 0.482 4.823 4.340 0.001 0.000 0.285 18 L C -0.790 175.627 176.870 -0.755 0.000 1.074 18 L CA -0.509 53.949 54.840 -0.637 0.000 0.817 18 L CB 1.157 42.702 42.059 -0.857 0.000 1.168 18 L HN 0.425 nan 8.230 nan 0.000 0.434 19 V N 2.636 122.396 119.914 -0.257 0.000 2.525 19 V HA 0.226 4.347 4.120 0.001 0.000 0.299 19 V C -0.409 175.828 176.094 0.239 0.000 1.034 19 V CA -0.695 61.587 62.300 -0.030 0.000 0.863 19 V CB 2.173 33.881 31.823 -0.191 0.000 0.999 19 V HN 0.657 nan 8.190 nan 0.000 0.423 20 D N 3.876 124.479 120.400 0.337 0.000 2.443 20 D HA 0.468 5.108 4.640 0.001 0.000 0.221 20 D C 0.992 177.340 176.300 0.079 0.000 1.097 20 D CA 1.070 55.149 54.000 0.132 0.000 0.865 20 D CB 1.466 42.221 40.800 -0.075 0.000 1.034 20 D HN 0.805 nan 8.370 nan 0.000 0.511 21 G N 3.771 112.622 108.800 0.084 0.000 3.181 21 G HA2 -0.434 3.526 3.960 0.001 0.000 0.322 21 G HA3 -0.434 3.526 3.960 0.001 0.000 0.322 21 G C 0.705 175.685 174.900 0.133 0.000 1.246 21 G CA 1.052 46.208 45.100 0.095 0.000 0.989 21 G HN 0.882 nan 8.290 nan 0.000 0.607 22 Q N -0.142 119.711 119.800 0.089 0.000 2.112 22 Q HA 0.649 4.989 4.340 0.001 0.000 0.222 22 Q C 0.848 176.876 176.000 0.047 0.000 0.798 22 Q CA 1.020 56.874 55.803 0.085 0.000 1.060 22 Q CB 0.385 29.157 28.738 0.058 0.000 1.184 22 Q HN 0.842 nan 8.270 nan 0.000 0.475 23 R N 0.908 121.443 120.500 0.058 0.000 2.229 23 R HA 0.556 4.897 4.340 0.001 0.000 0.332 23 R C -0.871 175.486 176.300 0.095 0.000 0.989 23 R CA -0.701 55.435 56.100 0.060 0.000 0.842 23 R CB 0.769 31.104 30.300 0.058 0.000 1.119 23 R HN 0.408 nan 8.270 nan 0.000 0.456 24 L N 6.364 127.591 121.223 0.007 0.000 2.369 24 L HA 0.135 4.475 4.340 0.001 0.000 0.279 24 L C -0.462 176.403 176.870 -0.009 0.000 1.108 24 L CA 0.262 55.053 54.840 -0.081 0.000 0.852 24 L CB 0.430 42.395 42.059 -0.158 0.000 1.169 24 L HN 0.723 nan 8.230 nan 0.000 0.452 25 Y N 1.145 121.390 120.300 -0.092 0.000 2.588 25 Y HA 0.618 5.169 4.550 0.001 0.000 0.247 25 Y C -0.417 175.448 175.900 -0.059 0.000 1.157 25 Y CA -0.935 57.127 58.100 -0.062 0.000 1.215 25 Y CB 0.255 38.688 38.460 -0.044 0.000 1.245 25 Y HN 0.524 nan 8.280 nan 0.000 0.534 26 D N 0.720 120.844 120.400 -0.459 0.000 2.722 26 D HA 0.384 5.024 4.640 0.001 0.000 0.231 26 D C -2.337 173.706 176.300 -0.429 0.000 1.218 26 D CA -0.289 53.501 54.000 -0.349 0.000 0.753 26 D CB 2.466 43.088 40.800 -0.296 0.000 1.471 26 D HN 0.163 nan 8.370 nan 0.000 0.455 27 L N 2.198 123.219 121.223 -0.337 0.000 2.445 27 L HA 0.622 4.963 4.340 0.001 0.000 0.262 27 L C -1.774 174.928 176.870 -0.281 0.000 0.974 27 L CA -0.321 54.334 54.840 -0.308 0.000 0.822 27 L CB 2.028 43.980 42.059 -0.179 0.000 1.339 27 L HN 0.263 nan 8.230 nan 0.000 0.409 28 D N 3.878 124.115 120.400 -0.272 0.000 2.787 28 D HA 0.610 5.251 4.640 0.001 0.000 0.246 28 D C -1.028 175.240 176.300 -0.052 0.000 1.150 28 D CA -0.050 53.870 54.000 -0.133 0.000 0.864 28 D CB 2.001 42.729 40.800 -0.121 0.000 1.481 28 D HN 0.511 nan 8.370 nan 0.000 0.509 37 K N 0.233 120.652 120.400 0.031 0.000 2.554 37 K HA 0.358 4.679 4.320 0.001 0.000 0.211 37 K C 0.507 177.149 176.600 0.070 0.000 1.226 37 K CA 0.604 56.928 56.287 0.061 0.000 1.025 37 K CB 0.441 32.994 32.500 0.089 0.000 1.021 37 K HN 0.652 nan 8.250 nan 0.000 0.600 38 K N 0.832 121.259 120.400 0.044 0.000 2.412 38 K HA 0.392 4.712 4.320 0.001 0.000 0.281 38 K C 0.572 177.198 176.600 0.043 0.000 1.027 38 K CA 0.849 57.164 56.287 0.047 0.000 0.989 38 K CB 0.477 32.996 32.500 0.031 0.000 0.935 38 K HN 0.863 nan 8.250 nan 0.000 0.475 39 A N 2.508 125.366 122.820 0.063 0.000 2.945 39 A HA -0.165 4.155 4.320 0.001 0.000 0.251 39 A C -0.471 177.147 177.584 0.056 0.000 1.355 39 A CA 0.571 52.647 52.037 0.065 0.000 0.905 39 A CB -1.976 17.052 19.000 0.048 0.000 1.104 39 A HN 0.803 nan 8.150 nan 0.000 0.733 40 N N -0.241 118.481 118.700 0.037 0.000 2.529 40 N HA 0.632 5.372 4.740 0.001 0.000 0.278 40 N C -0.097 175.351 175.510 -0.103 0.000 1.146 40 N CA 0.113 53.106 53.050 -0.095 0.000 0.980 40 N CB 0.692 39.100 38.487 -0.132 0.000 1.124 40 N HN 0.532 nan 8.380 nan 0.000 0.458 41 I N 2.326 122.760 120.570 -0.226 0.000 2.377 41 I HA 0.335 4.505 4.170 0.001 0.000 0.293 41 I C -0.763 175.097 176.117 -0.428 0.000 0.987 41 I CA -0.652 60.578 61.300 -0.116 0.000 1.185 41 I CB 0.655 38.720 38.000 0.108 0.000 1.341 41 I HN 0.322 nan 8.210 nan 0.000 0.455 42 Y N 3.433 123.712 120.300 -0.034 0.000 2.576 42 Y HA 0.614 5.164 4.550 0.001 0.000 0.346 42 Y C 0.380 176.130 175.900 -0.249 0.000 1.018 42 Y CA -1.101 56.901 58.100 -0.164 0.000 1.050 42 Y CB 1.127 39.514 38.460 -0.121 0.000 1.280 42 Y HN 0.471 nan 8.280 nan 0.000 0.474 43 K N 0.737 120.921 120.400 -0.361 0.000 2.234 43 K HA 0.732 5.052 4.320 0.001 0.000 0.282 43 K C -0.023 176.478 176.600 -0.164 0.000 1.039 43 K CA -0.129 55.963 56.287 -0.324 0.000 0.928 43 K CB 0.353 32.512 32.500 -0.568 0.000 1.039 43 K HN 1.048 nan 8.250 nan 0.000 0.470 44 G N 0.126 108.883 108.800 -0.072 0.000 2.638 44 G HA2 0.613 4.573 3.960 0.001 0.000 0.302 44 G HA3 0.613 4.573 3.960 0.001 0.000 0.302 44 G C -0.512 174.376 174.900 -0.020 0.000 1.365 44 G CA -0.177 44.901 45.100 -0.036 0.000 0.987 44 G HN 0.904 nan 8.290 nan 0.000 0.495 45 K N 1.644 122.052 120.400 0.012 0.000 2.172 45 K HA 0.673 4.993 4.320 0.001 0.000 0.276 45 K C 0.174 176.774 176.600 0.001 0.000 1.013 45 K CA -0.717 55.578 56.287 0.013 0.000 0.913 45 K CB 0.844 33.367 32.500 0.037 0.000 1.055 45 K HN 0.571 nan 8.250 nan 0.000 0.461 46 I N 3.487 124.045 120.570 -0.021 0.000 2.494 46 I HA -0.014 4.156 4.170 0.001 0.000 0.289 46 I C 1.402 177.498 176.117 -0.034 0.000 1.106 46 I CA -0.191 61.089 61.300 -0.032 0.000 1.369 46 I CB 0.775 38.747 38.000 -0.046 0.000 1.410 46 I HN 0.872 nan 8.210 nan 0.000 0.523 47 T N 6.045 120.562 114.554 -0.062 0.000 2.698 47 T HA -0.045 4.306 4.350 0.001 0.000 0.260 47 T C 0.642 175.284 174.700 -0.097 0.000 1.044 47 T CA 0.998 63.010 62.100 -0.147 0.000 1.149 47 T CB 0.026 68.611 68.868 -0.470 0.000 0.864 47 T HN 0.695 nan 8.240 nan 0.000 0.419 48 R N -0.334 120.145 120.500 -0.035 0.000 2.629 48 R HA 0.556 4.896 4.340 0.001 0.000 0.266 48 R C -2.029 174.324 176.300 0.089 0.000 1.051 48 R CA -0.757 55.343 56.100 0.000 0.000 0.895 48 R CB 0.688 30.955 30.300 -0.055 0.000 1.246 48 R HN 0.124 nan 8.270 nan 0.000 0.459 49 I N 1.614 122.214 120.570 0.051 0.000 2.428 49 I HA 0.286 4.456 4.170 0.001 0.000 0.296 49 I C -0.084 176.076 176.117 0.072 0.000 0.985 49 I CA -0.674 60.653 61.300 0.045 0.000 1.260 49 I CB 1.772 39.775 38.000 0.006 0.000 1.389 49 I HN 0.489 nan 8.210 nan 0.000 0.484 50 E N 7.229 127.471 120.200 0.071 0.000 2.331 50 E HA 0.222 4.573 4.350 0.001 0.000 0.243 50 E C -2.006 174.618 176.600 0.040 0.000 0.925 50 E CA -1.573 54.879 56.400 0.087 0.000 0.760 50 E CB 1.710 31.520 29.700 0.183 0.000 1.254 50 E HN 0.338 nan 8.360 nan 0.000 0.419 51 P HA -0.119 nan 4.420 nan 0.000 0.223 51 P C 1.431 178.748 177.300 0.028 0.000 1.151 51 P CA 0.802 63.913 63.100 0.018 0.000 0.787 51 P CB 0.575 32.284 31.700 0.014 0.000 0.788 52 S N -0.177 115.550 115.700 0.044 0.000 2.368 52 S HA -0.038 4.432 4.470 0.001 0.000 0.224 52 S C 1.691 176.329 174.600 0.064 0.000 1.029 52 S CA 0.831 59.061 58.200 0.051 0.000 0.988 52 S CB -0.746 62.490 63.200 0.059 0.000 0.838 52 S HN 0.071 nan 8.310 nan 0.000 0.462 53 L N 1.180 122.454 121.223 0.086 0.000 2.628 53 L HA 0.390 4.730 4.340 0.001 0.000 0.229 53 L C 1.056 177.964 176.870 0.065 0.000 1.137 53 L CA 0.563 55.470 54.840 0.112 0.000 0.909 53 L CB -0.984 41.200 42.059 0.209 0.000 1.137 53 L HN 0.480 nan 8.230 nan 0.000 0.470 54 E N 0.224 120.437 120.200 0.023 0.000 2.269 54 E HA -0.034 4.317 4.350 0.001 0.000 0.223 54 E C 0.223 176.774 176.600 -0.081 0.000 1.244 54 E CA 0.770 57.162 56.400 -0.014 0.000 0.713 54 E CB -2.091 27.611 29.700 0.004 0.000 1.178 54 E HN 0.687 nan 8.360 nan 0.000 0.370 55 A N -1.697 121.038 122.820 -0.143 0.000 2.588 55 A HA 1.129 5.449 4.320 0.001 0.000 0.290 55 A C -0.026 177.354 177.584 -0.339 0.000 1.136 55 A CA 0.159 51.974 52.037 -0.370 0.000 0.681 55 A CB 1.033 19.599 19.000 -0.722 0.000 1.282 55 A HN 1.990 nan 8.150 nan 0.000 0.421 56 A N -0.672 121.841 122.820 -0.511 0.000 2.532 56 A HA 0.872 5.192 4.320 0.001 0.000 0.290 56 A C -1.685 175.584 177.584 -0.525 0.000 1.143 56 A CA -0.459 51.386 52.037 -0.322 0.000 0.728 56 A CB 0.845 19.734 19.000 -0.186 0.000 1.317 56 A HN 0.940 nan 8.150 nan 0.000 0.414 57 F N 0.220 120.084 119.950 -0.143 0.000 2.458 57 F HA 0.582 5.110 4.527 0.001 0.000 0.336 57 F C -0.042 175.694 175.800 -0.107 0.000 1.114 57 F CA -0.458 57.484 58.000 -0.096 0.000 0.987 57 F CB 2.375 41.318 39.000 -0.095 0.000 1.130 57 F HN 0.277 nan 8.300 nan 0.000 0.458 58 V N 2.570 122.558 119.914 0.123 0.000 2.495 58 V HA 0.309 4.430 4.120 0.001 0.000 0.298 58 V C -0.367 175.862 176.094 0.226 0.000 1.031 58 V CA -0.808 61.540 62.300 0.079 0.000 0.871 58 V CB 1.639 33.454 31.823 -0.013 0.000 0.988 58 V HN 0.636 nan 8.190 nan 0.000 0.432 63 E N -0.900 119.234 120.200 -0.110 0.000 2.401 63 E HA 0.315 4.666 4.350 0.001 0.000 0.199 63 E C 0.957 177.457 176.600 -0.166 0.000 1.023 63 E CA 2.240 58.570 56.400 -0.117 0.000 0.859 63 E CB -0.507 29.154 29.700 -0.066 0.000 0.780 63 E HN 1.949 nan 8.360 nan 0.000 0.523 64 R N 0.057 120.459 120.500 -0.164 0.000 2.670 64 R HA 0.625 4.966 4.340 0.001 0.000 0.289 64 R C -0.611 175.583 176.300 -0.176 0.000 0.965 64 R CA -0.550 55.461 56.100 -0.148 0.000 0.899 64 R CB 0.115 30.392 30.300 -0.038 0.000 1.173 64 R HN 0.598 nan 8.270 nan 0.000 0.456 65 H N 0.018 119.128 119.070 0.067 0.000 2.652 65 H HA 0.472 5.029 4.556 0.001 0.000 0.349 65 H C 1.319 176.758 175.328 0.185 0.000 1.099 65 H CA 1.051 57.173 56.048 0.123 0.000 1.417 65 H CB 1.711 31.589 29.762 0.193 0.000 1.457 65 H HN 0.983 nan 8.280 nan 0.000 0.568 66 G N 1.098 110.042 108.800 0.240 0.000 2.621 66 G HA2 0.272 4.232 3.960 0.001 0.000 0.271 66 G HA3 0.272 4.232 3.960 0.001 0.000 0.271 66 G C -1.242 173.753 174.900 0.159 0.000 1.236 66 G CA -0.414 44.784 45.100 0.164 0.000 0.958 66 G HN 0.523 nan 8.290 nan 0.000 0.512 67 F N 0.342 120.216 119.950 -0.126 0.000 2.496 67 F HA 0.570 5.097 4.527 0.001 0.000 0.341 67 F C -0.889 174.760 175.800 -0.251 0.000 1.134 67 F CA -1.045 56.742 58.000 -0.355 0.000 0.968 67 F CB 1.684 40.517 39.000 -0.279 0.000 1.205 67 F HN 0.282 nan 8.300 nan 0.000 0.436 68 L N 9.771 130.533 121.223 -0.768 0.000 2.301 68 L HA 0.588 4.929 4.340 0.001 0.000 0.278 68 L C -2.324 174.145 176.870 -0.668 0.000 1.022 68 L CA -2.015 52.514 54.840 -0.518 0.000 0.854 68 L CB 0.900 42.768 42.059 -0.318 0.000 1.226 68 L HN 0.371 nan 8.230 nan 0.000 0.429 69 P HA 0.073 nan 4.420 nan 0.000 0.274 69 P C 1.030 178.229 177.300 -0.168 0.000 1.237 69 P CA -0.198 62.691 63.100 -0.352 0.000 0.793 69 P CB 1.019 32.676 31.700 -0.072 0.000 0.977 70 L N 1.875 123.034 121.223 -0.106 0.000 2.083 70 L HA -0.173 4.167 4.340 0.001 0.000 0.209 70 L C 2.769 179.658 176.870 0.031 0.000 1.083 70 L CA 3.178 57.994 54.840 -0.040 0.000 0.752 70 L CB -2.732 39.315 42.059 -0.020 0.000 0.899 70 L HN 0.549 nan 8.230 nan 0.000 0.433 71 K N -0.463 119.973 120.400 0.060 0.000 2.442 71 K HA -0.119 4.202 4.320 0.001 0.000 0.198 71 K C 1.782 178.535 176.600 0.254 0.000 1.044 71 K CA 1.452 57.818 56.287 0.132 0.000 0.948 71 K CB -0.461 32.100 32.500 0.101 0.000 0.762 71 K HN 0.789 nan 8.250 nan 0.000 0.472 72 E N -1.392 118.907 120.200 0.166 0.000 2.489 72 E HA 0.210 4.560 4.350 0.001 0.000 0.204 72 E C 0.534 177.044 176.600 -0.151 0.000 1.006 72 E CA 0.507 57.024 56.400 0.196 0.000 0.936 72 E CB -0.149 29.611 29.700 0.099 0.000 1.002 72 E HN 0.642 nan 8.360 nan 0.000 0.488 73 I N 1.365 121.856 120.570 -0.131 0.000 2.416 73 I HA 0.601 4.771 4.170 0.001 0.000 0.288 73 I C 0.812 176.732 176.117 -0.327 0.000 1.051 73 I CA -0.705 60.473 61.300 -0.203 0.000 1.375 73 I CB 0.127 38.099 38.000 -0.047 0.000 1.407 73 I HN 0.043 nan 8.210 nan 0.000 0.516 74 A N 4.516 127.075 122.820 -0.434 0.000 2.386 74 A HA 0.633 4.954 4.320 0.001 0.000 0.248 74 A C 1.835 179.266 177.584 -0.255 0.000 1.082 74 A CA 0.345 52.106 52.037 -0.459 0.000 0.789 74 A CB -0.079 18.691 19.000 -0.383 0.000 1.025 74 A HN 2.113 nan 8.150 nan 0.000 0.490 75 R N 0.316 120.617 120.500 -0.331 0.000 2.200 75 R HA -0.003 4.338 4.340 0.001 0.000 0.234 75 R C 1.940 177.513 176.300 -1.212 0.000 1.127 75 R CA 2.538 57.966 56.100 -1.120 0.000 0.989 75 R CB -1.937 28.021 30.300 -0.570 0.000 0.869 75 R HN 1.193 nan 8.270 nan 0.000 0.459 76 E N -0.487 119.326 120.200 -0.645 0.000 2.204 76 E HA -0.118 4.233 4.350 0.001 0.000 0.194 76 E C 1.657 177.902 176.600 -0.591 0.000 0.989 76 E CA 1.224 57.268 56.400 -0.594 0.000 0.824 76 E CB -0.618 28.730 29.700 -0.588 0.000 0.756 76 E HN 0.930 nan 8.360 nan 0.000 0.477 77 Y N -0.631 119.511 120.300 -0.262 0.000 2.458 77 Y HA 0.250 4.800 4.550 0.001 0.000 0.256 77 Y C 0.754 176.655 175.900 0.003 0.000 1.159 77 Y CA -0.768 57.263 58.100 -0.114 0.000 1.261 77 Y CB 0.099 38.502 38.460 -0.095 0.000 1.119 77 Y HN 0.363 nan 8.280 nan 0.000 0.524 78 F N 1.686 121.669 119.950 0.055 0.000 2.384 78 F HA 0.605 5.133 4.527 0.001 0.000 0.359 78 F C -2.428 173.382 175.800 0.017 0.000 1.143 78 F CA -2.586 55.434 58.000 0.033 0.000 1.216 78 F CB -0.236 38.777 39.000 0.023 0.000 1.512 78 F HN -0.170 nan 8.300 nan 0.000 0.573 88 P HA 0.596 nan 4.420 nan 0.000 0.282 88 P C -1.025 176.257 177.300 -0.032 0.000 1.259 88 P CA -0.786 62.281 63.100 -0.054 0.000 0.826 88 P CB 0.910 32.558 31.700 -0.088 0.000 1.064 89 N N -0.517 118.168 118.700 -0.025 0.000 2.524 89 N HA 0.242 4.982 4.740 0.001 0.000 0.283 89 N C 1.369 176.869 175.510 -0.016 0.000 1.142 89 N CA -0.075 52.965 53.050 -0.016 0.000 0.984 89 N CB 0.245 38.726 38.487 -0.010 0.000 1.155 89 N HN 0.450 nan 8.380 nan 0.000 0.467 90 I N 0.877 121.437 120.570 -0.017 0.000 2.335 90 I HA -0.208 3.962 4.170 0.001 0.000 0.251 90 I C 2.270 178.378 176.117 -0.016 0.000 1.129 90 I CA 2.516 63.802 61.300 -0.023 0.000 1.402 90 I CB -2.056 35.918 38.000 -0.044 0.000 1.069 90 I HN 0.669 nan 8.210 nan 0.000 0.424 91 K N 0.144 120.538 120.400 -0.010 0.000 2.280 91 K HA -0.222 4.099 4.320 0.001 0.000 0.202 91 K C 1.765 178.364 176.600 -0.002 0.000 1.047 91 K CA 1.667 57.951 56.287 -0.004 0.000 0.942 91 K CB -1.095 31.405 32.500 -0.001 0.000 0.739 91 K HN 0.825 nan 8.250 nan 0.000 0.457 92 D N -0.375 120.023 120.400 -0.004 0.000 2.289 92 D HA -0.003 4.638 4.640 0.001 0.000 0.207 92 D C 1.732 178.036 176.300 0.008 0.000 0.966 92 D CA 0.997 54.995 54.000 -0.003 0.000 0.868 92 D CB 0.533 41.324 40.800 -0.015 0.000 0.943 92 D HN 0.255 nan 8.370 nan 0.000 0.514 93 V N 0.621 120.543 119.914 0.013 0.000 2.492 93 V HA 0.054 4.175 4.120 0.001 0.000 0.241 93 V C 1.166 177.289 176.094 0.049 0.000 1.041 93 V CA 0.720 63.046 62.300 0.044 0.000 1.057 93 V CB 0.353 32.208 31.823 0.053 0.000 0.711 93 V HN 0.030 nan 8.190 nan 0.000 0.468 94 L N 0.088 121.323 121.223 0.019 0.000 2.334 94 L HA 0.736 5.076 4.340 0.001 0.000 0.273 94 L C 0.204 177.077 176.870 0.004 0.000 1.013 94 L CA -0.540 54.305 54.840 0.008 0.000 0.816 94 L CB 1.437 43.481 42.059 -0.024 0.000 1.278 94 L HN 0.179 nan 8.230 nan 0.000 0.431 95 R N 1.360 121.864 120.500 0.007 0.000 2.486 95 R HA 0.360 4.700 4.340 0.001 0.000 0.286 95 R C -0.203 176.094 176.300 -0.004 0.000 0.999 95 R CA -0.687 55.416 56.100 0.004 0.000 0.993 95 R CB 0.848 31.155 30.300 0.012 0.000 1.084 95 R HN 0.746 nan 8.270 nan 0.000 0.487 96 E N 0.834 121.031 120.200 -0.005 0.000 2.376 96 E HA 0.290 4.641 4.350 0.001 0.000 0.266 96 E C 0.678 177.275 176.600 -0.005 0.000 1.009 96 E CA 1.318 57.712 56.400 -0.009 0.000 0.902 96 E CB 0.302 29.996 29.700 -0.010 0.000 0.972 96 E HN 1.128 nan 8.360 nan 0.000 0.439 97 G N 3.674 112.470 108.800 -0.007 0.000 2.136 97 G HA2 -0.325 3.636 3.960 0.001 0.000 0.242 97 G HA3 -0.325 3.636 3.960 0.001 0.000 0.242 97 G C 0.091 174.995 174.900 0.007 0.000 0.989 97 G CA 0.499 45.601 45.100 0.003 0.000 0.682 97 G HN 0.599 nan 8.290 nan 0.000 0.522 98 Q N 0.622 120.421 119.800 -0.001 0.000 2.267 98 Q HA 0.575 4.915 4.340 0.001 0.000 0.255 98 Q C 0.451 176.446 176.000 -0.009 0.000 0.923 98 Q CA 0.459 56.263 55.803 0.002 0.000 0.925 98 Q CB 0.531 29.269 28.738 -0.001 0.000 1.195 98 Q HN 0.721 nan 8.270 nan 0.000 0.417 99 E N 2.091 122.298 120.200 0.011 0.000 2.373 99 E HA 0.510 4.861 4.350 0.001 0.000 0.263 99 E C -1.157 175.431 176.600 -0.021 0.000 1.073 99 E CA -0.347 56.057 56.400 0.008 0.000 0.894 99 E CB 1.819 31.546 29.700 0.045 0.000 1.008 99 E HN 0.491 nan 8.360 nan 0.000 0.420 100 V N 0.183 120.061 119.914 -0.059 0.000 2.851 100 V HA 0.494 4.614 4.120 0.001 0.000 0.290 100 V C -0.208 175.826 176.094 -0.100 0.000 1.330 100 V CA -0.077 62.126 62.300 -0.161 0.000 0.944 100 V CB 1.166 32.750 31.823 -0.399 0.000 1.090 100 V HN 1.306 nan 8.190 nan 0.000 0.436 101 I N 5.837 126.406 120.570 -0.002 0.000 2.494 101 I HA 0.732 4.902 4.170 0.001 0.000 0.289 101 I C -0.165 175.985 176.117 0.055 0.000 1.106 101 I CA 0.342 61.677 61.300 0.059 0.000 1.369 101 I CB 0.625 38.726 38.000 0.169 0.000 1.410 101 I HN 0.449 nan 8.210 nan 0.000 0.523 102 V N 5.633 125.582 119.914 0.060 0.000 2.656 102 V HA 0.604 4.724 4.120 0.001 0.000 0.307 102 V C -0.168 176.020 176.094 0.156 0.000 1.051 102 V CA -0.708 61.633 62.300 0.068 0.000 0.893 102 V CB 1.706 33.547 31.823 0.030 0.000 0.999 102 V HN 1.009 nan 8.190 nan 0.000 0.426 103 Q N 2.926 122.808 119.800 0.136 0.000 2.365 103 Q HA 0.622 4.963 4.340 0.001 0.000 0.269 103 Q C -1.255 174.833 176.000 0.147 0.000 1.061 103 Q CA -0.766 55.132 55.803 0.159 0.000 0.816 103 Q CB 2.126 30.941 28.738 0.128 0.000 1.325 103 Q HN 0.733 nan 8.270 nan 0.000 0.446 104 I N 3.644 124.317 120.570 0.172 0.000 2.379 104 I HA -0.005 4.165 4.170 0.001 0.000 0.290 104 I C 0.595 176.771 176.117 0.099 0.000 1.063 104 I CA -0.011 61.371 61.300 0.137 0.000 1.351 104 I CB 0.805 38.901 38.000 0.161 0.000 1.410 104 I HN 0.808 nan 8.210 nan 0.000 0.505 105 D N 5.850 126.301 120.400 0.086 0.000 2.162 105 D HA 0.001 4.642 4.640 0.001 0.000 0.205 105 D C 0.118 176.452 176.300 0.056 0.000 0.964 105 D CA 1.492 55.534 54.000 0.070 0.000 0.847 105 D CB 0.479 41.324 40.800 0.074 0.000 0.988 105 D HN 0.413 nan 8.370 nan 0.000 0.480 106 K N 0.680 121.114 120.400 0.057 0.000 2.513 106 K HA 0.219 4.539 4.320 0.001 0.000 0.251 106 K C -0.560 176.064 176.600 0.040 0.000 0.939 106 K CA -0.780 55.532 56.287 0.041 0.000 0.793 106 K CB 2.553 35.071 32.500 0.030 0.000 1.241 106 K HN -0.050 nan 8.250 nan 0.000 0.431 107 E N 1.835 122.054 120.200 0.032 0.000 2.442 107 E HA -0.063 4.287 4.350 0.001 0.000 0.260 107 E C -0.408 176.204 176.600 0.021 0.000 1.148 107 E CA 0.303 56.721 56.400 0.029 0.000 0.976 107 E CB 0.491 30.203 29.700 0.021 0.000 0.967 107 E HN 0.461 nan 8.360 nan 0.000 0.454 108 E N 1.133 121.344 120.200 0.019 0.000 2.366 108 E HA 0.029 4.380 4.350 0.001 0.000 0.266 108 E C 0.278 176.881 176.600 0.005 0.000 1.015 108 E CA 0.432 56.839 56.400 0.012 0.000 0.906 108 E CB 0.778 30.484 29.700 0.010 0.000 0.979 108 E HN 0.237 nan 8.360 nan 0.000 0.443 116 L N 1.716 122.993 121.223 0.090 0.000 2.365 116 L HA 0.862 5.202 4.340 0.001 0.000 0.273 116 L C 0.306 177.193 176.870 0.028 0.000 1.000 116 L CA -0.648 54.219 54.840 0.046 0.000 0.819 116 L CB 2.343 44.404 42.059 0.004 0.000 1.284 116 L HN 0.795 nan 8.230 nan 0.000 0.418 117 T N -1.430 113.155 114.554 0.051 0.000 2.907 117 T HA 0.417 4.768 4.350 0.001 0.000 0.292 117 T C 0.511 175.224 174.700 0.021 0.000 1.043 117 T CA 0.093 62.229 62.100 0.060 0.000 1.003 117 T CB 1.750 70.710 68.868 0.154 0.000 1.084 117 T HN 0.784 nan 8.240 nan 0.000 0.483 118 T N 0.718 115.230 114.554 -0.071 0.000 2.985 118 T HA 0.334 4.684 4.350 0.001 0.000 0.254 118 T C 0.186 174.816 174.700 -0.117 0.000 1.021 118 T CA -0.282 61.755 62.100 -0.104 0.000 0.957 118 T CB -0.444 68.285 68.868 -0.232 0.000 1.047 118 T HN 0.440 nan 8.240 nan 0.000 0.511 119 F N 2.355 122.342 119.950 0.061 0.000 2.546 119 F HA 0.379 4.907 4.527 0.001 0.000 0.388 119 F C 0.529 176.327 175.800 -0.004 0.000 1.051 119 F CA -1.193 56.813 58.000 0.010 0.000 1.130 119 F CB -0.482 38.514 39.000 -0.007 0.000 1.044 119 F HN 0.113 nan 8.300 nan 0.000 0.553 120 I N 2.870 123.501 120.570 0.101 0.000 2.498 120 I HA 0.383 4.554 4.170 0.001 0.000 0.301 120 I C -0.217 175.868 176.117 -0.053 0.000 0.984 120 I CA -0.466 60.853 61.300 0.033 0.000 1.204 120 I CB 1.728 39.751 38.000 0.038 0.000 1.362 120 I HN 0.587 nan 8.210 nan 0.000 0.471 121 S N 6.470 122.151 115.700 -0.032 0.000 2.561 121 S HA 0.654 5.124 4.470 0.001 0.000 0.303 121 S C -0.907 173.645 174.600 -0.079 0.000 1.110 121 S CA -0.845 57.312 58.200 -0.071 0.000 1.034 121 S CB 1.065 64.241 63.200 -0.040 0.000 1.010 121 S HN 0.442 nan 8.310 nan 0.000 0.482 122 L N 3.121 124.267 121.223 -0.129 0.000 2.277 122 L HA 0.655 4.995 4.340 0.001 0.000 0.284 122 L C 0.383 177.168 176.870 -0.141 0.000 1.028 122 L CA -0.718 54.023 54.840 -0.165 0.000 0.835 122 L CB 1.158 43.084 42.059 -0.221 0.000 1.215 122 L HN 0.916 nan 8.230 nan 0.000 0.425 123 A N 2.703 125.455 122.820 -0.114 0.000 2.320 123 A HA 0.700 5.021 4.320 0.001 0.000 0.287 123 A C 0.547 178.064 177.584 -0.111 0.000 1.181 123 A CA 0.097 52.078 52.037 -0.092 0.000 0.831 123 A CB 0.797 19.758 19.000 -0.065 0.000 1.102 123 A HN 0.760 nan 8.150 nan 0.000 0.513 124 G N 0.377 109.114 108.800 -0.104 0.000 2.945 124 G HA2 0.400 4.361 3.960 0.001 0.000 0.156 124 G HA3 0.400 4.361 3.960 0.001 0.000 0.156 124 G C 0.998 175.800 174.900 -0.164 0.000 1.375 124 G CA 0.582 45.612 45.100 -0.116 0.000 1.039 124 G HN 0.592 nan 8.290 nan 0.000 0.586 125 S N -1.084 114.462 115.700 -0.257 0.000 2.406 125 S HA 0.066 4.537 4.470 0.001 0.000 0.224 125 S C 1.661 175.919 174.600 -0.570 0.000 1.030 125 S CA 1.008 58.879 58.200 -0.549 0.000 0.958 125 S CB -0.198 62.443 63.200 -0.931 0.000 0.811 125 S HN 0.491 nan 8.310 nan 0.000 0.489 126 Y N 0.007 120.329 120.300 0.037 0.000 2.467 126 Y HA 0.523 5.073 4.550 0.001 0.000 0.259 126 Y C 0.309 176.215 175.900 0.009 0.000 1.084 126 Y CA -0.470 57.647 58.100 0.029 0.000 1.275 126 Y CB 0.386 38.881 38.460 0.058 0.000 1.208 126 Y HN 0.013 nan 8.280 nan 0.000 0.511 127 L N 0.420 121.708 121.223 0.109 0.000 2.381 127 L HA 0.657 4.997 4.340 0.001 0.000 0.268 127 L C -1.124 175.738 176.870 -0.014 0.000 0.997 127 L CA -1.122 53.748 54.840 0.049 0.000 0.818 127 L CB 2.761 44.849 42.059 0.049 0.000 1.310 127 L HN -0.390 nan 8.230 nan 0.000 0.416 128 V N 3.661 123.558 119.914 -0.028 0.000 2.304 128 V HA 0.246 4.367 4.120 0.001 0.000 0.278 128 V C -0.186 175.863 176.094 -0.075 0.000 1.018 128 V CA -0.496 61.770 62.300 -0.057 0.000 0.814 128 V CB 1.545 33.338 31.823 -0.050 0.000 1.021 128 V HN 0.422 nan 8.190 nan 0.000 0.440 129 L N 6.902 128.065 121.223 -0.101 0.000 2.361 129 L HA 0.395 4.735 4.340 0.001 0.000 0.278 129 L C 0.334 177.100 176.870 -0.172 0.000 1.113 129 L CA 0.565 55.325 54.840 -0.134 0.000 0.849 129 L CB 0.814 42.782 42.059 -0.151 0.000 1.155 129 L HN 0.528 nan 8.230 nan 0.000 0.452 130 M N 8.137 127.637 119.600 -0.166 0.000 3.028 130 M HA 0.274 4.754 4.480 0.001 0.000 0.296 130 M C -1.754 174.389 176.300 -0.261 0.000 1.314 130 M CA -1.809 53.382 55.300 -0.181 0.000 1.383 130 M CB 0.253 32.782 32.600 -0.118 0.000 1.128 130 M HN 0.367 nan 8.290 nan 0.000 0.544 131 P HA -0.094 nan 4.420 nan 0.000 0.226 131 P C 1.041 178.049 177.300 -0.486 0.000 1.153 131 P CA 1.253 63.959 63.100 -0.656 0.000 0.777 131 P CB 0.230 31.002 31.700 -1.547 0.000 0.794 132 N N 0.438 118.917 118.700 -0.369 0.000 2.290 132 N HA -0.042 4.698 4.740 0.001 0.000 0.179 132 N C 0.394 175.914 175.510 0.016 0.000 1.016 132 N CA 0.519 53.495 53.050 -0.124 0.000 0.871 132 N CB -0.115 38.361 38.487 -0.018 0.000 0.987 132 N HN 0.227 nan 8.380 nan 0.000 0.431 133 N N -0.874 117.850 118.700 0.040 0.000 2.310 133 N HA 0.242 4.982 4.740 0.001 0.000 0.292 133 N C -2.850 172.642 175.510 -0.031 0.000 1.049 133 N CA -1.248 51.849 53.050 0.079 0.000 0.849 133 N CB 3.084 41.674 38.487 0.172 0.000 1.532 133 N HN -0.116 nan 8.380 nan 0.000 0.479 134 P HA 0.123 nan 4.420 nan 0.000 0.267 134 P C 0.574 177.844 177.300 -0.050 0.000 1.289 134 P CA 0.342 63.417 63.100 -0.041 0.000 0.866 134 P CB 0.214 31.900 31.700 -0.024 0.000 1.309 135 R N 0.458 120.918 120.500 -0.065 0.000 4.779 135 R HA 0.623 4.964 4.340 0.001 0.000 0.217 135 R C 0.580 176.822 176.300 -0.096 0.000 1.934 135 R CA 0.472 56.528 56.100 -0.073 0.000 1.623 135 R CB -1.391 28.857 30.300 -0.087 0.000 1.364 135 R HN 0.387 nan 8.270 nan 0.000 0.799 136 A N -1.063 121.709 122.820 -0.079 0.000 2.586 136 A HA 0.931 5.251 4.320 0.001 0.000 0.290 136 A C 0.104 177.653 177.584 -0.059 0.000 1.086 136 A CA -0.431 51.558 52.037 -0.080 0.000 0.665 136 A CB 0.769 19.706 19.000 -0.104 0.000 1.279 136 A HN 1.993 nan 8.150 nan 0.000 0.423 137 G N -1.640 107.129 108.800 -0.051 0.000 2.453 137 G HA2 0.660 4.621 3.960 0.001 0.000 0.665 137 G HA3 0.660 4.621 3.960 0.001 0.000 0.665 137 G C -0.240 174.642 174.900 -0.031 0.000 1.411 137 G CA 0.260 45.338 45.100 -0.036 0.000 0.889 137 G HN 2.510 nan 8.290 nan 0.000 0.651 147 D N -0.300 120.100 120.400 0.001 0.000 2.378 147 D HA 0.072 4.712 4.640 0.001 0.000 0.227 147 D C 2.189 178.488 176.300 -0.001 0.000 1.012 147 D CA 0.825 54.825 54.000 0.000 0.000 0.905 147 D CB -0.139 40.661 40.800 0.000 0.000 0.895 147 D HN 0.449 nan 8.370 nan 0.000 0.532 148 R N 0.375 120.875 120.500 -0.000 0.000 2.313 148 R HA 0.190 4.531 4.340 0.001 0.000 0.199 148 R C 2.119 178.418 176.300 -0.002 0.000 0.958 148 R CA 1.363 57.463 56.100 -0.001 0.000 1.047 148 R CB -1.741 28.559 30.300 -0.000 0.000 0.955 148 R HN 0.371 nan 8.270 nan 0.000 0.481 149 T N -0.339 114.214 114.554 -0.002 0.000 2.746 149 T HA -0.041 4.309 4.350 0.001 0.000 0.267 149 T C 2.227 176.925 174.700 -0.003 0.000 1.039 149 T CA 2.429 64.528 62.100 -0.002 0.000 1.142 149 T CB -0.285 68.582 68.868 -0.001 0.000 0.866 149 T HN 0.593 nan 8.240 nan 0.000 0.444 150 E N 0.240 120.437 120.200 -0.005 0.000 2.230 150 E HA 0.347 4.697 4.350 0.001 0.000 0.192 150 E C 2.129 178.723 176.600 -0.009 0.000 0.987 150 E CA 0.948 57.343 56.400 -0.007 0.000 0.841 150 E CB -0.572 29.122 29.700 -0.010 0.000 0.783 150 E HN 0.497 nan 8.360 nan 0.000 0.481 151 L N 0.504 121.722 121.223 -0.008 0.000 2.109 151 L HA 0.085 4.425 4.340 0.001 0.000 0.207 151 L C 2.816 179.683 176.870 -0.005 0.000 1.086 151 L CA 2.574 57.410 54.840 -0.008 0.000 0.760 151 L CB -0.508 41.548 42.059 -0.005 0.000 0.910 151 L HN 0.352 nan 8.230 nan 0.000 0.437 152 K N -0.289 120.109 120.400 -0.004 0.000 2.211 152 K HA -0.024 4.296 4.320 0.001 0.000 0.203 152 K C 2.007 178.605 176.600 -0.004 0.000 1.050 152 K CA 1.574 57.859 56.287 -0.004 0.000 0.945 152 K CB -1.453 31.045 32.500 -0.003 0.000 0.732 152 K HN 0.607 nan 8.250 nan 0.000 0.451 153 E N 0.112 120.309 120.200 -0.004 0.000 2.122 153 E HA 0.384 4.735 4.350 0.001 0.000 0.190 153 E C 2.386 178.984 176.600 -0.003 0.000 0.977 153 E CA 1.128 57.526 56.400 -0.003 0.000 0.820 153 E CB -0.604 29.094 29.700 -0.003 0.000 0.770 153 E HN 0.768 nan 8.360 nan 0.000 0.462 154 A N 0.029 122.847 122.820 -0.005 0.000 1.970 154 A HA 0.246 4.566 4.320 0.001 0.000 0.216 154 A C 2.349 179.933 177.584 -0.001 0.000 1.170 154 A CA 1.384 53.418 52.037 -0.005 0.000 0.645 154 A CB -0.274 18.719 19.000 -0.012 0.000 0.816 154 A HN 0.475 nan 8.150 nan 0.000 0.447 155 L N -0.398 120.824 121.223 -0.001 0.000 2.109 155 L HA 0.056 4.397 4.340 0.001 0.000 0.207 155 L C 2.520 179.390 176.870 -0.000 0.000 1.086 155 L CA 1.842 56.682 54.840 0.000 0.000 0.760 155 L CB -0.421 41.638 42.059 -0.001 0.000 0.910 155 L HN 0.296 nan 8.230 nan 0.000 0.437 156 A N -1.264 121.556 122.820 -0.001 0.000 2.121 156 A HA -0.116 4.205 4.320 0.001 0.000 0.218 156 A C 2.355 179.940 177.584 0.001 0.000 1.154 156 A CA 1.366 53.402 52.037 -0.001 0.000 0.679 156 A CB -0.757 18.242 19.000 -0.002 0.000 0.795 156 A HN 0.624 nan 8.150 nan 0.000 0.458 157 S N -0.927 114.774 115.700 0.003 0.000 2.503 157 S HA 0.280 4.751 4.470 0.001 0.000 0.217 157 S C 0.545 175.150 174.600 0.008 0.000 0.999 157 S CA -0.351 57.852 58.200 0.005 0.000 0.914 157 S CB -0.482 62.721 63.200 0.005 0.000 0.782 157 S HN 0.348 nan 8.310 nan 0.000 0.520 158 L N 2.211 123.439 121.223 0.008 0.000 2.426 158 L HA 0.457 4.798 4.340 0.001 0.000 0.271 158 L C 0.886 177.761 176.870 0.008 0.000 1.169 158 L CA 0.053 54.900 54.840 0.011 0.000 0.836 158 L CB 0.307 42.373 42.059 0.012 0.000 1.112 158 L HN 0.422 nan 8.230 nan 0.000 0.465 159 E N 4.744 124.950 120.200 0.010 0.000 1.893 159 E HA 0.342 4.693 4.350 0.001 0.000 0.269 159 E C -0.763 175.840 176.600 0.006 0.000 1.129 159 E CA -0.473 55.932 56.400 0.009 0.000 0.904 159 E CB 0.575 30.283 29.700 0.012 0.000 1.077 159 E HN 0.427 nan 8.360 nan 0.000 0.407 160 L N 3.452 124.676 121.223 0.001 0.000 2.282 160 L HA 0.595 4.935 4.340 0.001 0.000 0.288 160 L C -2.370 174.499 176.870 -0.002 0.000 1.033 160 L CA -1.878 52.959 54.840 -0.005 0.000 0.807 160 L CB 1.603 43.653 42.059 -0.014 0.000 1.209 160 L HN 0.251 nan 8.230 nan 0.000 0.423 161 P HA 0.203 nan 4.420 nan 0.000 0.268 161 P C 0.677 177.977 177.300 0.000 0.000 1.208 161 P CA 0.529 63.635 63.100 0.010 0.000 0.777 161 P CB 0.525 32.241 31.700 0.027 0.000 0.875 162 E N 1.422 121.624 120.200 0.004 0.000 2.077 162 E HA -0.114 4.236 4.350 0.001 0.000 0.193 162 E C 2.051 178.647 176.600 -0.006 0.000 0.989 162 E CA 1.698 58.097 56.400 -0.000 0.000 0.800 162 E CB -1.522 28.180 29.700 0.003 0.000 0.746 162 E HN 0.686 nan 8.360 nan 0.000 0.452 163 G N 0.118 108.916 108.800 -0.004 0.000 2.956 163 G HA2 0.324 4.284 3.960 0.001 0.000 0.207 163 G HA3 0.324 4.284 3.960 0.001 0.000 0.207 163 G C 0.758 175.640 174.900 -0.029 0.000 1.162 163 G CA 0.674 45.768 45.100 -0.011 0.000 0.796 163 G HN 0.612 nan 8.290 nan 0.000 0.527 164 M N -1.488 118.088 119.600 -0.040 0.000 2.593 164 M HA 0.760 5.241 4.480 0.001 0.000 0.290 164 M C -0.261 176.000 176.300 -0.065 0.000 1.244 164 M CA -0.976 54.279 55.300 -0.075 0.000 0.857 164 M CB 2.085 34.611 32.600 -0.123 0.000 1.738 164 M HN -0.094 nan 8.290 nan 0.000 0.461 165 G N 0.952 109.705 108.800 -0.079 0.000 2.685 165 G HA2 0.831 4.792 3.960 0.001 0.000 0.298 165 G HA3 0.831 4.792 3.960 0.001 0.000 0.298 165 G C -2.189 172.665 174.900 -0.077 0.000 1.277 165 G CA -0.714 44.346 45.100 -0.067 0.000 0.986 165 G HN 0.687 nan 8.290 nan 0.000 0.487 166 L N -0.986 120.201 121.223 -0.060 0.000 2.469 166 L HA 0.750 5.091 4.340 0.001 0.000 0.256 166 L C -1.379 175.466 176.870 -0.040 0.000 1.006 166 L CA -0.849 53.958 54.840 -0.055 0.000 0.832 166 L CB 2.180 44.213 42.059 -0.043 0.000 1.421 166 L HN 0.502 nan 8.230 nan 0.000 0.410 167 I N 2.758 123.307 120.570 -0.034 0.000 2.465 167 I HA 0.467 4.637 4.170 0.001 0.000 0.291 167 I C -0.730 175.386 176.117 -0.001 0.000 1.014 167 I CA -1.102 60.185 61.300 -0.021 0.000 1.093 167 I CB 2.069 40.053 38.000 -0.027 0.000 1.267 167 I HN 0.180 nan 8.210 nan 0.000 0.431 168 V N 6.451 126.370 119.914 0.009 0.000 2.372 168 V HA 0.274 4.394 4.120 0.001 0.000 0.261 168 V C 0.789 176.904 176.094 0.035 0.000 1.055 168 V CA -0.526 61.793 62.300 0.032 0.000 0.930 168 V CB 0.085 31.924 31.823 0.027 0.000 1.031 168 V HN 0.680 nan 8.190 nan 0.000 0.479 169 R N 2.631 123.162 120.500 0.051 0.000 2.873 169 R HA 0.027 4.367 4.340 0.001 0.000 0.267 169 R C 1.534 177.867 176.300 0.055 0.000 1.009 169 R CA 0.488 56.614 56.100 0.044 0.000 1.152 169 R CB 0.201 30.527 30.300 0.043 0.000 1.047 169 R HN 0.756 nan 8.270 nan 0.000 0.470 170 T N 0.923 115.500 114.554 0.038 0.000 2.833 170 T HA -0.128 4.223 4.350 0.001 0.000 0.269 170 T C 1.062 175.802 174.700 0.067 0.000 1.054 170 T CA 1.230 63.354 62.100 0.040 0.000 1.135 170 T CB -0.065 68.817 68.868 0.024 0.000 0.869 170 T HN 0.710 nan 8.240 nan 0.000 0.466 177 A N 0.622 123.426 122.820 -0.028 0.000 1.933 177 A HA 0.183 4.504 4.320 0.001 0.000 0.218 177 A C 2.220 179.814 177.584 0.018 0.000 1.175 177 A CA 2.473 54.507 52.037 -0.005 0.000 0.628 177 A CB -1.865 17.135 19.000 0.000 0.000 0.814 177 A HN 1.442 nan 8.150 nan 0.000 0.444 178 E N -0.458 119.752 120.200 0.017 0.000 2.106 178 E HA 0.105 4.455 4.350 0.001 0.000 0.192 178 E C 2.180 178.831 176.600 0.084 0.000 0.984 178 E CA 1.719 58.147 56.400 0.045 0.000 0.806 178 E CB -0.977 28.740 29.700 0.028 0.000 0.750 178 E HN 0.975 nan 8.360 nan 0.000 0.458 179 A N 0.024 122.869 122.820 0.040 0.000 2.016 179 A HA 0.214 4.535 4.320 0.001 0.000 0.217 179 A C 2.431 180.115 177.584 0.166 0.000 1.162 179 A CA 1.127 53.204 52.037 0.066 0.000 0.662 179 A CB -0.191 18.759 19.000 -0.082 0.000 0.812 179 A HN 0.434 nan 8.150 nan 0.000 0.450 180 L N -1.048 120.221 121.223 0.077 0.000 2.072 180 L HA -0.179 4.161 4.340 0.001 0.000 0.205 180 L C 3.352 180.309 176.870 0.145 0.000 1.079 180 L CA 1.397 56.303 54.840 0.110 0.000 0.752 180 L CB -0.888 41.194 42.059 0.038 0.000 0.906 180 L HN 0.560 nan 8.230 nan 0.000 0.436 181 Q N -0.353 119.520 119.800 0.122 0.000 2.181 181 Q HA -0.309 4.032 4.340 0.001 0.000 0.205 181 Q C 1.759 177.835 176.000 0.126 0.000 0.980 181 Q CA 2.115 57.979 55.803 0.101 0.000 0.862 181 Q CB -1.622 27.168 28.738 0.088 0.000 0.905 181 Q HN 0.737 nan 8.270 nan 0.000 0.429 182 W N 0.883 122.219 121.300 0.060 0.000 2.381 182 W HA -0.081 4.579 4.660 0.001 0.000 0.301 182 W C 1.720 178.299 176.519 0.100 0.000 1.205 182 W CA 1.532 58.928 57.345 0.085 0.000 1.285 182 W CB 0.144 29.659 29.460 0.092 0.000 1.133 182 W HN 0.449 nan 8.180 nan 0.000 0.521 183 D N 0.403 120.873 120.400 0.117 0.000 2.123 183 D HA -0.181 4.459 4.640 0.001 0.000 0.200 183 D C 2.544 178.754 176.300 -0.150 0.000 0.976 183 D CA 2.490 56.446 54.000 -0.073 0.000 0.831 183 D CB -0.575 40.437 40.800 0.352 0.000 0.974 183 D HN 0.159 nan 8.370 nan 0.000 0.469 184 L N 0.470 121.668 121.223 -0.041 0.000 2.131 184 L HA -0.042 4.299 4.340 0.001 0.000 0.210 184 L C 2.659 179.482 176.870 -0.079 0.000 1.092 184 L CA 2.496 57.309 54.840 -0.045 0.000 0.759 184 L CB -1.837 40.219 42.059 -0.005 0.000 0.903 184 L HN 0.374 nan 8.230 nan 0.000 0.435 185 S N -3.106 112.523 115.700 -0.118 0.000 2.395 185 S HA -0.164 4.306 4.470 0.001 0.000 0.225 185 S C 2.164 176.680 174.600 -0.141 0.000 1.027 185 S CA 1.195 59.332 58.200 -0.105 0.000 0.965 185 S CB -1.134 62.009 63.200 -0.094 0.000 0.812 185 S HN 0.616 nan 8.310 nan 0.000 0.482 186 F N 2.381 122.158 119.950 -0.288 0.000 2.293 186 F HA 0.092 4.619 4.527 0.001 0.000 0.300 186 F C 2.874 178.608 175.800 -0.109 0.000 1.086 186 F CA 0.762 58.606 58.000 -0.259 0.000 1.375 186 F CB -0.708 37.982 39.000 -0.516 0.000 1.045 186 F HN 0.378 nan 8.300 nan 0.000 0.516 187 R N -0.253 120.181 120.500 -0.110 0.000 2.090 187 R HA -0.021 4.320 4.340 0.001 0.000 0.228 187 R C 2.247 178.585 176.300 0.064 0.000 1.110 187 R CA 1.046 57.114 56.100 -0.053 0.000 0.973 187 R CB -1.010 29.235 30.300 -0.091 0.000 0.869 187 R HN 0.400 nan 8.270 nan 0.000 0.440 188 L N 0.637 121.890 121.223 0.050 0.000 2.072 188 L HA -0.132 4.208 4.340 0.001 0.000 0.205 188 L C 2.695 179.651 176.870 0.143 0.000 1.079 188 L CA 1.166 56.079 54.840 0.122 0.000 0.752 188 L CB -0.367 41.732 42.059 0.067 0.000 0.906 188 L HN -0.019 nan 8.230 nan 0.000 0.436 189 K N -1.138 119.309 120.400 0.079 0.000 2.057 189 K HA -0.260 4.061 4.320 0.001 0.000 0.207 189 K C 2.021 178.676 176.600 0.091 0.000 1.049 189 K CA 1.654 57.980 56.287 0.064 0.000 0.931 189 K CB -0.676 31.847 32.500 0.039 0.000 0.714 189 K HN 0.569 nan 8.250 nan 0.000 0.440 190 H N -1.385 117.699 119.070 0.024 0.000 2.326 190 H HA -0.110 4.447 4.556 0.001 0.000 0.301 190 H C 2.090 177.462 175.328 0.073 0.000 1.081 190 H CA 2.195 58.255 56.048 0.020 0.000 1.334 190 H CB -0.211 29.537 29.762 -0.022 0.000 1.385 190 H HN 0.557 nan 8.280 nan 0.000 0.504 191 W N 1.872 123.263 121.300 0.152 0.000 2.338 191 W HA -0.197 4.464 4.660 0.001 0.000 0.304 191 W C 1.615 178.151 176.519 0.028 0.000 1.212 191 W CA 1.426 58.824 57.345 0.089 0.000 1.264 191 W CB 0.031 29.514 29.460 0.040 0.000 1.142 191 W HN 0.363 nan 8.180 nan 0.000 0.512 192 E N 0.579 120.725 120.200 -0.089 0.000 2.049 192 E HA -0.249 4.102 4.350 0.001 0.000 0.198 192 E C 2.308 178.763 176.600 -0.242 0.000 1.007 192 E CA 1.839 58.104 56.400 -0.225 0.000 0.809 192 E CB -0.877 28.777 29.700 -0.078 0.000 0.749 192 E HN 0.354 nan 8.360 nan 0.000 0.450 193 A N 1.384 124.105 122.820 -0.166 0.000 1.972 193 A HA -0.130 4.191 4.320 0.001 0.000 0.219 193 A C 2.616 180.086 177.584 -0.190 0.000 1.169 193 A CA 1.945 53.883 52.037 -0.164 0.000 0.635 193 A CB -1.058 17.842 19.000 -0.167 0.000 0.810 193 A HN 0.264 nan 8.150 nan 0.000 0.446 194 I N 1.143 121.575 120.570 -0.231 0.000 2.226 194 I HA -0.167 4.004 4.170 0.001 0.000 0.245 194 I C 2.336 178.295 176.117 -0.262 0.000 1.100 194 I CA 2.421 63.607 61.300 -0.190 0.000 1.374 194 I CB -1.282 36.690 38.000 -0.046 0.000 1.057 194 I HN 0.674 nan 8.210 nan 0.000 0.413 195 K N 0.732 120.844 120.400 -0.480 0.000 2.426 195 K HA 0.110 4.431 4.320 0.001 0.000 0.193 195 K C 1.991 178.455 176.600 -0.228 0.000 1.028 195 K CA 1.105 57.135 56.287 -0.428 0.000 1.047 195 K CB -0.236 31.852 32.500 -0.685 0.000 0.821 195 K HN 0.523 nan 8.250 nan 0.000 0.513 196 K N 1.245 121.533 120.400 -0.187 0.000 2.166 196 K HA 0.250 4.571 4.320 0.001 0.000 0.201 196 K C 2.119 178.693 176.600 -0.044 0.000 1.052 196 K CA 0.843 57.067 56.287 -0.105 0.000 0.969 196 K CB -0.533 31.907 32.500 -0.101 0.000 0.761 196 K HN 0.339 nan 8.250 nan 0.000 0.459 197 A N 0.652 123.460 122.820 -0.020 0.000 2.119 197 A HA 0.455 4.775 4.320 0.001 0.000 0.216 197 A C 2.560 180.276 177.584 0.221 0.000 1.152 197 A CA 1.487 53.567 52.037 0.072 0.000 0.708 197 A CB -0.357 18.702 19.000 0.099 0.000 0.805 197 A HN 0.712 nan 8.150 nan 0.000 0.460 198 A N -0.675 122.239 122.820 0.156 0.000 1.943 198 A HA 0.304 4.625 4.320 0.001 0.000 0.213 198 A C 1.973 179.649 177.584 0.154 0.000 1.181 198 A CA 1.462 53.632 52.037 0.223 0.000 0.653 198 A CB -0.610 18.416 19.000 0.044 0.000 0.833 198 A HN 0.633 nan 8.150 nan 0.000 0.451 199 E N -0.541 119.690 120.200 0.053 0.000 2.516 199 E HA 0.236 4.586 4.350 0.001 0.000 0.199 199 E C 1.478 178.093 176.600 0.025 0.000 1.069 199 E CA 1.365 57.781 56.400 0.026 0.000 0.876 199 E CB -1.086 28.604 29.700 -0.017 0.000 0.843 199 E HN 0.894 nan 8.360 nan 0.000 0.530 200 S N -0.801 114.918 115.700 0.032 0.000 2.578 200 S HA 0.527 4.998 4.470 0.001 0.000 0.231 200 S C 0.911 175.483 174.600 -0.047 0.000 0.994 200 S CA 0.024 58.217 58.200 -0.013 0.000 0.956 200 S CB 0.301 63.482 63.200 -0.032 0.000 0.870 200 S HN 0.253 nan 8.310 nan 0.000 0.494 201 R N 0.588 121.078 120.500 -0.017 0.000 2.764 201 R HA 0.541 4.882 4.340 0.001 0.000 0.270 201 R C -2.971 173.357 176.300 0.046 0.000 1.014 201 R CA -1.349 54.690 56.100 -0.103 0.000 0.904 201 R CB 1.025 31.029 30.300 -0.493 0.000 1.236 201 R HN 0.031 nan 8.270 nan 0.000 0.466 202 P HA 0.151 nan 4.420 nan 0.000 0.274 202 P C -0.573 176.891 177.300 0.273 0.000 1.264 202 P CA -0.124 63.038 63.100 0.104 0.000 0.795 202 P CB 0.599 32.330 31.700 0.053 0.000 1.064 203 A N 0.588 123.546 122.820 0.229 0.000 2.095 203 A HA 0.114 4.434 4.320 0.001 0.000 0.212 203 A C -0.929 176.777 177.584 0.204 0.000 1.162 203 A CA 0.720 52.889 52.037 0.221 0.000 0.753 203 A CB -1.638 17.429 19.000 0.110 0.000 0.840 203 A HN 0.442 nan 8.150 nan 0.000 0.468 204 P HA 0.087 nan 4.420 nan 0.000 0.245 204 P C 0.361 177.775 177.300 0.191 0.000 1.206 204 P CA 0.026 63.225 63.100 0.164 0.000 0.781 204 P CB -0.339 31.443 31.700 0.137 0.000 0.994 205 F N -0.422 119.589 119.950 0.101 0.000 2.368 205 F HA 0.464 4.992 4.527 0.001 0.000 0.308 205 F C 0.351 176.305 175.800 0.257 0.000 1.198 205 F CA -1.807 56.274 58.000 0.135 0.000 1.130 205 F CB -0.099 38.953 39.000 0.087 0.000 1.300 205 F HN -0.310 nan 8.300 nan 0.000 0.537 206 L N 2.112 123.551 121.223 0.360 0.000 2.305 206 L HA 0.361 4.701 4.340 0.001 0.000 0.281 206 L C -0.259 176.648 176.870 0.062 0.000 1.085 206 L CA -0.059 54.880 54.840 0.165 0.000 0.813 206 L CB 0.654 42.809 42.059 0.160 0.000 1.157 206 L HN 0.837 nan 8.230 nan 0.000 0.436 207 I N 2.260 122.740 120.570 -0.151 0.000 2.899 207 I HA 0.149 4.320 4.170 0.001 0.000 0.257 207 I C -0.167 175.991 176.117 0.068 0.000 1.115 207 I CA -0.004 61.297 61.300 0.002 0.000 1.451 207 I CB 0.065 38.036 38.000 -0.049 0.000 1.251 207 I HN 0.686 nan 8.210 nan 0.000 0.456 208 H N 0.963 119.953 119.070 -0.133 0.000 2.589 208 H HA 0.431 4.988 4.556 0.001 0.000 0.351 208 H C -0.810 174.458 175.328 -0.099 0.000 1.074 208 H CA -0.803 55.225 56.048 -0.033 0.000 1.203 208 H CB 1.359 31.179 29.762 0.097 0.000 1.558 208 H HN -0.033 nan 8.280 nan 0.000 0.522 209 Q N 3.643 123.110 119.800 -0.556 0.000 2.368 209 Q HA 0.182 4.522 4.340 0.001 0.000 0.256 209 Q C 0.650 176.217 176.000 -0.721 0.000 0.980 209 Q CA -0.380 55.129 55.803 -0.491 0.000 0.887 209 Q CB 1.015 29.645 28.738 -0.181 0.000 1.221 209 Q HN 0.861 nan 8.270 nan 0.000 0.458 210 E N 1.997 121.860 120.200 -0.562 0.000 2.153 210 E HA -0.120 4.230 4.350 0.001 0.000 0.194 210 E C 0.212 176.715 176.600 -0.160 0.000 0.988 210 E CA 1.378 57.592 56.400 -0.311 0.000 0.811 210 E CB 0.153 29.786 29.700 -0.111 0.000 0.746 210 E HN 0.304 nan 8.360 nan 0.000 0.466 211 S N 0.676 116.286 115.700 -0.149 0.000 2.130 211 S HA 0.326 4.797 4.470 0.001 0.000 0.165 211 S C -1.377 173.157 174.600 -0.109 0.000 1.677 211 S CA -0.789 57.351 58.200 -0.101 0.000 1.227 211 S CB -0.822 62.338 63.200 -0.066 0.000 1.115 211 S HN 0.390 nan 8.310 nan 0.000 0.452 212 N N 1.146 119.757 118.700 -0.148 0.000 2.296 212 N HA 0.298 5.038 4.740 0.001 0.000 0.294 212 N C 0.644 176.030 175.510 -0.207 0.000 1.033 212 N CA -1.009 51.942 53.050 -0.166 0.000 0.839 212 N CB 1.535 39.910 38.487 -0.186 0.000 1.395 212 N HN 0.049 nan 8.380 nan 0.000 0.479 213 V N 2.807 122.628 119.914 -0.154 0.000 2.527 213 V HA -0.271 3.849 4.120 0.001 0.000 0.255 213 V C 1.440 177.402 176.094 -0.220 0.000 1.081 213 V CA 1.873 64.090 62.300 -0.137 0.000 1.092 213 V CB -0.764 31.004 31.823 -0.092 0.000 0.673 213 V HN 0.780 nan 8.190 nan 0.000 0.470 214 I N -1.132 119.237 120.570 -0.334 0.000 2.252 214 I HA -0.158 4.012 4.170 0.001 0.000 0.245 214 I C 2.383 178.136 176.117 -0.607 0.000 1.102 214 I CA 1.423 62.390 61.300 -0.556 0.000 1.385 214 I CB -0.438 37.237 38.000 -0.541 0.000 1.064 214 I HN 0.175 nan 8.210 nan 0.000 0.414 215 V N 0.717 120.383 119.914 -0.413 0.000 2.343 215 V HA -0.265 3.855 4.120 0.001 0.000 0.247 215 V C 2.621 178.677 176.094 -0.064 0.000 1.051 215 V CA 1.850 64.057 62.300 -0.154 0.000 1.036 215 V CB -0.674 31.092 31.823 -0.094 0.000 0.654 215 V HN 0.348 nan 8.190 nan 0.000 0.451 216 R N -0.459 119.981 120.500 -0.100 0.000 2.075 216 R HA -0.087 4.253 4.340 0.001 0.000 0.232 216 R C 2.398 178.685 176.300 -0.022 0.000 1.126 216 R CA 1.386 57.452 56.100 -0.057 0.000 0.963 216 R CB -0.458 29.811 30.300 -0.051 0.000 0.858 216 R HN 0.540 nan 8.270 nan 0.000 0.435 217 A N 0.345 123.152 122.820 -0.021 0.000 1.898 217 A HA -0.118 4.202 4.320 0.001 0.000 0.216 217 A C 1.943 179.667 177.584 0.234 0.000 1.181 217 A CA 1.090 53.221 52.037 0.157 0.000 0.620 217 A CB -0.663 18.317 19.000 -0.032 0.000 0.819 217 A HN 0.300 nan 8.150 nan 0.000 0.442 218 F N -0.992 118.995 119.950 0.063 0.000 2.259 218 F HA -0.072 4.456 4.527 0.001 0.000 0.298 218 F C 2.613 178.422 175.800 0.014 0.000 1.088 218 F CA 0.916 58.935 58.000 0.033 0.000 1.358 218 F CB -0.039 38.968 39.000 0.011 0.000 1.040 218 F HN 0.180 nan 8.300 nan 0.000 0.505 219 R N 0.562 121.155 120.500 0.155 0.000 2.115 219 R HA -0.125 4.215 4.340 0.001 0.000 0.226 219 R C 0.988 177.251 176.300 -0.062 0.000 1.100 219 R CA 1.696 57.815 56.100 0.033 0.000 0.980 219 R CB -0.065 30.228 30.300 -0.013 0.000 0.875 219 R HN 0.159 nan 8.270 nan 0.000 0.445 220 D N -1.798 118.495 120.400 -0.178 0.000 2.380 220 D HA 0.009 4.649 4.640 0.001 0.000 0.212 220 D C 0.307 176.299 176.300 -0.513 0.000 1.021 220 D CA 0.866 54.557 54.000 -0.514 0.000 0.884 220 D CB 0.410 40.634 40.800 -0.961 0.000 1.001 220 D HN 0.298 nan 8.370 nan 0.000 0.506 221 Y N -0.473 119.864 120.300 0.061 0.000 2.610 221 Y HA 0.259 4.809 4.550 0.001 0.000 0.254 221 Y C 0.042 175.989 175.900 0.079 0.000 1.110 221 Y CA -0.780 57.347 58.100 0.046 0.000 1.238 221 Y CB 1.193 39.662 38.460 0.015 0.000 1.322 221 Y HN -0.140 nan 8.280 nan 0.000 0.547 222 L N 1.874 123.239 121.223 0.237 0.000 2.312 222 L HA 0.557 4.897 4.340 0.001 0.000 0.281 222 L C -0.320 176.578 176.870 0.046 0.000 1.070 222 L CA -0.189 54.759 54.840 0.180 0.000 0.805 222 L CB 0.446 42.599 42.059 0.157 0.000 1.174 222 L HN 0.015 nan 8.230 nan 0.000 0.434 223 R N 2.188 122.589 120.500 -0.166 0.000 2.870 223 R HA 0.422 4.762 4.340 0.001 0.000 0.262 223 R C 0.432 176.498 176.300 -0.391 0.000 1.112 223 R CA 0.056 55.653 56.100 -0.837 0.000 0.976 223 R CB 1.071 30.916 30.300 -0.758 0.000 1.261 223 R HN 0.546 nan 8.270 nan 0.000 0.453 224 Q N 0.522 119.905 119.800 -0.694 0.000 2.364 224 Q HA -0.114 4.227 4.340 0.001 0.000 0.207 224 Q C 0.840 176.831 176.000 -0.013 0.000 0.970 224 Q CA 2.243 57.986 55.803 -0.100 0.000 0.888 224 Q CB -0.672 27.999 28.738 -0.112 0.000 0.951 224 Q HN 0.622 nan 8.270 nan 0.000 0.469 225 D N -1.486 118.855 120.400 -0.099 0.000 2.342 225 D HA 0.159 4.800 4.640 0.001 0.000 0.221 225 D C 0.012 176.319 176.300 0.012 0.000 1.101 225 D CA -0.375 53.601 54.000 -0.041 0.000 0.837 225 D CB -0.203 40.548 40.800 -0.081 0.000 0.938 225 D HN 0.566 nan 8.370 nan 0.000 0.508 226 I N 1.148 121.749 120.570 0.052 0.000 2.291 226 I HA 0.270 4.440 4.170 0.001 0.000 0.292 226 I C 1.589 177.778 176.117 0.119 0.000 1.064 226 I CA -0.506 60.847 61.300 0.088 0.000 1.269 226 I CB 1.703 39.760 38.000 0.094 0.000 1.418 226 I HN 0.017 nan 8.210 nan 0.000 0.485 227 G N 5.548 114.402 108.800 0.091 0.000 2.396 227 G HA2 0.009 3.969 3.960 0.001 0.000 0.214 227 G HA3 0.009 3.969 3.960 0.001 0.000 0.214 227 G C 0.477 175.438 174.900 0.101 0.000 1.166 227 G CA 0.313 45.467 45.100 0.090 0.000 0.793 227 G HN 0.570 nan 8.290 nan 0.000 0.533 228 E N -1.210 119.044 120.200 0.090 0.000 2.369 228 E HA 0.587 4.938 4.350 0.001 0.000 0.270 228 E C -1.342 175.306 176.600 0.080 0.000 0.909 228 E CA -0.666 55.788 56.400 0.091 0.000 0.775 228 E CB 2.579 32.330 29.700 0.085 0.000 1.270 228 E HN 0.027 nan 8.360 nan 0.000 0.445 229 I N 2.968 123.597 120.570 0.098 0.000 2.595 229 I HA 0.219 4.389 4.170 0.001 0.000 0.275 229 I C -0.726 175.458 176.117 0.112 0.000 1.092 229 I CA -0.355 61.011 61.300 0.110 0.000 1.145 229 I CB 0.455 38.557 38.000 0.169 0.000 1.276 229 I HN 0.242 nan 8.210 nan 0.000 0.497 230 L N 6.144 127.406 121.223 0.065 0.000 2.410 230 L HA 0.430 4.770 4.340 0.001 0.000 0.273 230 L C -0.264 176.672 176.870 0.110 0.000 1.152 230 L CA 0.039 54.938 54.840 0.098 0.000 0.855 230 L CB 0.570 42.668 42.059 0.066 0.000 1.129 230 L HN 0.454 nan 8.230 nan 0.000 0.463 231 I N 2.173 122.834 120.570 0.151 0.000 2.498 231 I HA 0.173 4.343 4.170 0.001 0.000 0.290 231 I C 0.073 176.296 176.117 0.176 0.000 1.032 231 I CA -0.534 60.849 61.300 0.138 0.000 1.073 231 I CB 2.080 40.157 38.000 0.128 0.000 1.251 231 I HN 0.585 nan 8.210 nan 0.000 0.426 232 D N 2.383 122.879 120.400 0.161 0.000 2.350 232 D HA -0.020 4.620 4.640 0.001 0.000 0.213 232 D C 0.278 176.655 176.300 0.128 0.000 1.031 232 D CA 0.378 54.509 54.000 0.219 0.000 0.861 232 D CB 0.033 40.969 40.800 0.228 0.000 0.926 232 D HN 0.322 nan 8.370 nan 0.000 0.520 233 N N 0.403 119.156 118.700 0.088 0.000 2.442 233 N HA 0.261 5.001 4.740 0.001 0.000 0.274 233 N C -2.189 173.357 175.510 0.060 0.000 1.002 233 N CA -2.167 50.918 53.050 0.058 0.000 0.910 233 N CB 2.388 40.895 38.487 0.034 0.000 1.244 233 N HN -0.318 nan 8.380 nan 0.000 0.492 234 P HA -0.121 nan 4.420 nan 0.000 0.215 234 P C 1.235 178.562 177.300 0.044 0.000 1.157 234 P CA 2.128 65.256 63.100 0.048 0.000 0.868 234 P CB 0.258 31.979 31.700 0.035 0.000 0.788 235 K N -0.215 120.207 120.400 0.037 0.000 2.152 235 K HA -0.129 4.192 4.320 0.001 0.000 0.206 235 K C 2.138 178.765 176.600 0.045 0.000 1.048 235 K CA 2.065 58.372 56.287 0.034 0.000 0.933 235 K CB -1.797 30.718 32.500 0.026 0.000 0.721 235 K HN 0.032 nan 8.250 nan 0.000 0.447 236 V N 0.076 120.021 119.914 0.052 0.000 2.446 236 V HA -0.063 4.057 4.120 0.001 0.000 0.244 236 V C 2.407 178.558 176.094 0.094 0.000 1.039 236 V CA 1.194 63.535 62.300 0.069 0.000 1.045 236 V CB -0.089 31.764 31.823 0.050 0.000 0.681 236 V HN 0.532 nan 8.190 nan 0.000 0.459 237 L N 1.346 122.624 121.223 0.091 0.000 2.043 237 L HA -0.207 4.133 4.340 0.001 0.000 0.212 237 L C 2.659 179.589 176.870 0.100 0.000 1.075 237 L CA 2.862 57.769 54.840 0.112 0.000 0.752 237 L CB -0.713 41.407 42.059 0.101 0.000 0.891 237 L HN 0.470 nan 8.230 nan 0.000 0.432 238 E N -0.222 120.018 120.200 0.067 0.000 2.077 238 E HA -0.215 4.136 4.350 0.001 0.000 0.193 238 E C 2.062 178.667 176.600 0.009 0.000 0.989 238 E CA 1.839 58.261 56.400 0.038 0.000 0.800 238 E CB -1.147 28.567 29.700 0.023 0.000 0.746 238 E HN 0.672 nan 8.360 nan 0.000 0.452 239 L N -0.213 121.023 121.223 0.021 0.000 2.083 239 L HA -0.037 4.303 4.340 0.001 0.000 0.209 239 L C 3.111 179.942 176.870 -0.066 0.000 1.083 239 L CA 1.029 55.835 54.840 -0.056 0.000 0.752 239 L CB -0.298 41.856 42.059 0.157 0.000 0.899 239 L HN 0.451 nan 8.230 nan 0.000 0.433 240 A N 0.318 123.270 122.820 0.220 0.000 1.933 240 A HA -0.190 4.130 4.320 0.001 0.000 0.218 240 A C 2.390 180.189 177.584 0.358 0.000 1.175 240 A CA 1.374 53.669 52.037 0.429 0.000 0.628 240 A CB -0.391 18.830 19.000 0.368 0.000 0.814 240 A HN 0.355 nan 8.150 nan 0.000 0.444 241 R N -0.579 120.021 120.500 0.165 0.000 2.066 241 R HA -0.149 4.192 4.340 0.001 0.000 0.232 241 R C 2.400 178.732 176.300 0.053 0.000 1.131 241 R CA 1.574 57.739 56.100 0.110 0.000 0.955 241 R CB -0.540 29.801 30.300 0.068 0.000 0.851 241 R HN 0.662 nan 8.270 nan 0.000 0.432 242 Q N 0.166 119.931 119.800 -0.059 0.000 2.112 242 Q HA -0.204 4.137 4.340 0.001 0.000 0.206 242 Q C 1.874 177.829 176.000 -0.076 0.000 0.987 242 Q CA 1.954 57.683 55.803 -0.122 0.000 0.858 242 Q CB -0.288 28.306 28.738 -0.240 0.000 0.905 242 Q HN 0.624 nan 8.270 nan 0.000 0.420 243 H N -0.355 118.805 119.070 0.151 0.000 2.456 243 H HA -0.051 4.506 4.556 0.001 0.000 0.296 243 H C 1.830 177.281 175.328 0.206 0.000 1.079 243 H CA 0.978 57.142 56.048 0.193 0.000 1.322 243 H CB 0.098 30.001 29.762 0.236 0.000 1.388 243 H HN 0.196 nan 8.280 nan 0.000 0.538 244 I N 0.282 121.013 120.570 0.268 0.000 2.286 244 I HA -0.182 3.988 4.170 0.001 0.000 0.245 244 I C 2.535 178.711 176.117 0.098 0.000 1.104 244 I CA 0.786 62.169 61.300 0.139 0.000 1.397 244 I CB -0.238 37.796 38.000 0.056 0.000 1.072 244 I HN 0.343 nan 8.210 nan 0.000 0.417 245 A N 0.690 123.554 122.820 0.073 0.000 1.930 245 A HA -0.097 4.223 4.320 0.001 0.000 0.217 245 A C 2.505 180.087 177.584 -0.004 0.000 1.175 245 A CA 1.584 53.641 52.037 0.033 0.000 0.627 245 A CB -0.641 18.370 19.000 0.017 0.000 0.815 245 A HN 0.419 nan 8.150 nan 0.000 0.443 246 A N -0.384 122.442 122.820 0.010 0.000 1.933 246 A HA 0.001 4.322 4.320 0.001 0.000 0.218 246 A C 2.009 179.467 177.584 -0.210 0.000 1.175 246 A CA 1.398 53.405 52.037 -0.049 0.000 0.628 246 A CB -0.520 18.519 19.000 0.064 0.000 0.814 246 A HN 0.452 nan 8.150 nan 0.000 0.444 247 L N -1.189 120.022 121.223 -0.020 0.000 2.552 247 L HA 0.135 4.475 4.340 0.001 0.000 0.227 247 L C 1.557 178.441 176.870 0.023 0.000 1.146 247 L CA 0.659 55.553 54.840 0.090 0.000 0.858 247 L CB -0.129 42.073 42.059 0.239 0.000 0.969 247 L HN 0.601 nan 8.230 nan 0.000 0.451 248 G N 0.041 108.824 108.800 -0.028 0.000 2.165 248 G HA2 -0.254 3.706 3.960 0.001 0.000 0.226 248 G HA3 -0.254 3.706 3.960 0.001 0.000 0.226 248 G C 0.125 175.060 174.900 0.058 0.000 1.035 248 G CA 0.113 45.208 45.100 -0.009 0.000 0.744 248 G HN 0.464 nan 8.290 nan 0.000 0.501 249 R N 0.013 120.580 120.500 0.112 0.000 2.629 249 R HA 0.788 5.129 4.340 0.001 0.000 0.275 249 R C -1.436 175.009 176.300 0.241 0.000 1.719 249 R CA -0.569 55.672 56.100 0.235 0.000 1.472 249 R CB 0.435 31.013 30.300 0.462 0.000 1.237 249 R HN 0.186 nan 8.270 nan 0.000 0.589 250 P HA -0.108 nan 4.420 nan 0.000 0.229 250 P C 0.339 177.633 177.300 -0.009 0.000 1.160 250 P CA 0.916 64.047 63.100 0.051 0.000 0.777 250 P CB 0.373 32.082 31.700 0.015 0.000 0.814 251 D N -0.683 119.650 120.400 -0.111 0.000 2.311 251 D HA -0.180 4.460 4.640 0.001 0.000 0.212 251 D C 1.278 177.342 176.300 -0.394 0.000 0.972 251 D CA 0.918 54.745 54.000 -0.289 0.000 0.887 251 D CB -0.924 39.615 40.800 -0.436 0.000 0.915 251 D HN 0.191 nan 8.370 nan 0.000 0.497 252 F N 0.805 120.750 119.950 -0.010 0.000 2.530 252 F HA 0.118 4.646 4.527 0.001 0.000 0.292 252 F C 2.764 178.552 175.800 -0.020 0.000 1.109 252 F CA 0.015 58.001 58.000 -0.023 0.000 1.450 252 F CB -0.242 38.715 39.000 -0.073 0.000 1.114 252 F HN -0.145 nan 8.300 nan 0.000 0.560 253 S N -0.030 115.752 115.700 0.138 0.000 2.402 253 S HA -0.223 4.248 4.470 0.001 0.000 0.233 253 S C 2.362 177.009 174.600 0.077 0.000 1.030 253 S CA 1.687 59.946 58.200 0.098 0.000 1.003 253 S CB -0.505 62.735 63.200 0.067 0.000 0.813 253 S HN 0.514 nan 8.310 nan 0.000 0.477 254 S N 0.893 116.622 115.700 0.049 0.000 2.399 254 S HA -0.026 4.445 4.470 0.001 0.000 0.231 254 S C 1.536 176.174 174.600 0.062 0.000 1.022 254 S CA 0.799 59.022 58.200 0.039 0.000 0.983 254 S CB -0.306 62.898 63.200 0.006 0.000 0.803 254 S HN 0.522 nan 8.310 nan 0.000 0.480 255 K N 0.430 120.884 120.400 0.089 0.000 2.361 255 K HA 0.322 4.642 4.320 0.001 0.000 0.196 255 K C 0.154 176.827 176.600 0.123 0.000 1.039 255 K CA 0.066 56.421 56.287 0.114 0.000 1.001 255 K CB -0.013 32.583 32.500 0.161 0.000 0.795 255 K HN 0.427 nan 8.250 nan 0.000 0.495 256 I N 2.798 123.442 120.570 0.124 0.000 2.517 256 I HA -0.014 4.157 4.170 0.001 0.000 0.285 256 I C -0.137 176.051 176.117 0.117 0.000 1.106 256 I CA 0.417 61.794 61.300 0.129 0.000 1.402 256 I CB 0.370 38.453 38.000 0.139 0.000 1.399 256 I HN -0.027 nan 8.210 nan 0.000 0.535 257 K N 5.836 126.311 120.400 0.125 0.000 2.426 257 K HA 0.512 4.832 4.320 0.001 0.000 0.251 257 K C -1.203 175.480 176.600 0.139 0.000 0.941 257 K CA -1.021 55.339 56.287 0.121 0.000 0.808 257 K CB 2.732 35.306 32.500 0.124 0.000 1.265 257 K HN 0.279 nan 8.250 nan 0.000 0.432 258 L N 3.042 124.339 121.223 0.125 0.000 2.281 258 L HA 0.253 4.593 4.340 0.001 0.000 0.285 258 L C -0.918 176.054 176.870 0.170 0.000 1.074 258 L CA -0.229 54.691 54.840 0.133 0.000 0.817 258 L CB 0.097 42.208 42.059 0.088 0.000 1.168 258 L HN 0.480 nan 8.230 nan 0.000 0.434 259 Y N 3.214 123.565 120.300 0.085 0.000 2.346 259 Y HA 0.338 4.888 4.550 0.001 0.000 0.330 259 Y C 1.088 177.032 175.900 0.072 0.000 1.178 259 Y CA 0.633 58.790 58.100 0.095 0.000 1.331 259 Y CB 1.178 39.712 38.460 0.122 0.000 1.253 259 Y HN 0.810 nan 8.280 nan 0.000 0.529 260 T N 0.522 114.704 114.554 -0.620 0.000 3.046 260 T HA 0.313 4.663 4.350 0.001 0.000 0.270 260 T C 0.780 175.175 174.700 -0.508 0.000 0.920 260 T CA 0.198 62.059 62.100 -0.398 0.000 0.874 260 T CB -0.536 68.220 68.868 -0.187 0.000 1.214 260 T HN 0.818 nan 8.240 nan 0.000 0.536 261 G N 0.662 108.881 108.800 -0.967 0.000 2.554 261 G HA2 0.412 4.372 3.960 0.001 0.000 0.238 261 G HA3 0.412 4.372 3.960 0.001 0.000 0.238 261 G C 0.916 175.710 174.900 -0.176 0.000 1.259 261 G CA 0.205 45.021 45.100 -0.473 0.000 0.843 261 G HN 0.451 nan 8.290 nan 0.000 0.582 262 E N 1.179 121.355 120.200 -0.040 0.000 2.158 262 E HA 0.066 4.416 4.350 0.001 0.000 0.191 262 E C 1.386 178.039 176.600 0.089 0.000 0.982 262 E CA 0.384 56.797 56.400 0.022 0.000 0.823 262 E CB -0.340 29.366 29.700 0.010 0.000 0.766 262 E HN 0.630 nan 8.360 nan 0.000 0.468 263 I N 2.744 123.386 120.570 0.121 0.000 2.662 263 I HA 0.092 4.262 4.170 0.001 0.000 0.285 263 I C -2.093 174.183 176.117 0.265 0.000 1.161 263 I CA -1.755 59.641 61.300 0.160 0.000 1.415 263 I CB 0.830 38.918 38.000 0.147 0.000 1.385 263 I HN 0.134 nan 8.210 nan 0.000 0.552 264 P HA -0.082 nan 4.420 nan 0.000 0.266 264 P C 0.686 178.071 177.300 0.142 0.000 1.195 264 P CA -0.237 62.969 63.100 0.177 0.000 0.768 264 P CB 0.792 32.545 31.700 0.089 0.000 0.838 265 L N 3.360 124.596 121.223 0.022 0.000 2.010 265 L HA -0.242 4.098 4.340 0.001 0.000 0.219 265 L C 2.002 178.975 176.870 0.171 0.000 1.077 265 L CA 2.256 56.940 54.840 -0.261 0.000 0.773 265 L CB -1.119 40.832 42.059 -0.180 0.000 0.892 265 L HN 0.198 nan 8.230 nan 0.000 0.436 266 F N -0.706 119.209 119.950 -0.058 0.000 2.325 266 F HA -0.051 4.476 4.527 0.001 0.000 0.299 266 F C 2.624 178.446 175.800 0.037 0.000 1.090 266 F CA 1.086 59.083 58.000 -0.005 0.000 1.392 266 F CB -1.155 37.836 39.000 -0.016 0.000 1.053 266 F HN 0.105 nan 8.300 nan 0.000 0.521 267 S N -1.465 114.365 115.700 0.216 0.000 2.395 267 S HA -0.118 4.353 4.470 0.001 0.000 0.225 267 S C 2.289 176.944 174.600 0.091 0.000 1.027 267 S CA 1.078 59.358 58.200 0.132 0.000 0.965 267 S CB -0.988 62.277 63.200 0.108 0.000 0.812 267 S HN 0.669 nan 8.310 nan 0.000 0.482 268 H N -1.136 117.989 119.070 0.092 0.000 2.421 268 H HA 0.044 4.600 4.556 0.001 0.000 0.298 268 H C 1.598 176.847 175.328 -0.133 0.000 1.087 268 H CA 1.616 57.669 56.048 0.009 0.000 1.330 268 H CB -0.721 29.072 29.762 0.053 0.000 1.388 268 H HN 0.565 nan 8.280 nan 0.000 0.526 269 Y N -0.468 119.814 120.300 -0.030 0.000 2.457 269 Y HA 0.332 4.882 4.550 0.001 0.000 0.263 269 Y C 2.186 178.056 175.900 -0.050 0.000 1.164 269 Y CA 1.207 59.276 58.100 -0.052 0.000 1.274 269 Y CB 0.241 38.636 38.460 -0.109 0.000 1.097 269 Y HN 0.716 nan 8.280 nan 0.000 0.523 270 Q N 0.539 120.382 119.800 0.072 0.000 2.502 270 Q HA -0.225 4.115 4.340 0.001 0.000 0.273 270 Q C 0.642 176.658 176.000 0.026 0.000 1.127 270 Q CA 1.470 57.297 55.803 0.041 0.000 0.952 270 Q CB -3.209 25.540 28.738 0.019 0.000 1.333 270 Q HN 0.851 nan 8.270 nan 0.000 0.494 271 I N -4.849 115.722 120.570 0.002 0.000 3.968 271 I HA 0.376 4.546 4.170 0.001 0.000 0.328 271 I C 1.779 177.886 176.117 -0.017 0.000 1.290 271 I CA 0.796 62.055 61.300 -0.069 0.000 1.163 271 I CB 0.520 38.371 38.000 -0.249 0.000 1.024 271 I HN 0.231 nan 8.210 nan 0.000 0.413 272 E N 2.241 122.480 120.200 0.065 0.000 2.150 272 E HA -0.164 4.186 4.350 0.001 0.000 0.193 272 E C 2.290 178.949 176.600 0.098 0.000 0.985 272 E CA 1.771 58.247 56.400 0.127 0.000 0.814 272 E CB -0.013 29.776 29.700 0.147 0.000 0.752 272 E HN 0.680 nan 8.360 nan 0.000 0.466 273 S N -0.365 115.375 115.700 0.067 0.000 2.387 273 S HA -0.159 4.312 4.470 0.001 0.000 0.226 273 S C 1.970 176.602 174.600 0.053 0.000 1.026 273 S CA 0.797 59.034 58.200 0.061 0.000 0.972 273 S CB -0.344 62.882 63.200 0.043 0.000 0.814 273 S HN 0.274 nan 8.310 nan 0.000 0.477 274 Q N 0.753 120.569 119.800 0.027 0.000 2.119 274 Q HA 0.082 4.423 4.340 0.001 0.000 0.201 274 Q C 2.175 178.175 176.000 -0.000 0.000 0.972 274 Q CA 1.461 57.266 55.803 0.004 0.000 0.847 274 Q CB -0.485 28.241 28.738 -0.020 0.000 0.903 274 Q HN 0.601 nan 8.270 nan 0.000 0.433 275 I N 1.034 121.617 120.570 0.023 0.000 2.286 275 I HA -0.254 3.916 4.170 0.001 0.000 0.248 275 I C 2.648 178.850 176.117 0.140 0.000 1.115 275 I CA 1.570 62.903 61.300 0.055 0.000 1.392 275 I CB -0.400 37.678 38.000 0.130 0.000 1.065 275 I HN 0.302 nan 8.210 nan 0.000 0.418 276 E N 0.425 120.738 120.200 0.188 0.000 2.347 276 E HA -0.168 4.183 4.350 0.001 0.000 0.196 276 E C 2.132 178.870 176.600 0.231 0.000 1.008 276 E CA 1.155 57.734 56.400 0.297 0.000 0.852 276 E CB -0.774 29.035 29.700 0.182 0.000 0.783 276 E HN 0.678 nan 8.360 nan 0.000 0.505 277 S N -0.688 115.063 115.700 0.084 0.000 2.461 277 S HA 0.352 4.822 4.470 0.001 0.000 0.228 277 S C 2.335 176.910 174.600 -0.041 0.000 1.005 277 S CA 0.840 59.058 58.200 0.031 0.000 0.942 277 S CB 0.123 63.325 63.200 0.002 0.000 0.776 277 S HN 0.800 nan 8.310 nan 0.000 0.514 278 A N 0.169 122.879 122.820 -0.183 0.000 2.239 278 A HA 0.344 4.665 4.320 0.001 0.000 0.209 278 A C 1.186 178.461 177.584 -0.515 0.000 1.171 278 A CA 0.406 52.205 52.037 -0.397 0.000 0.768 278 A CB -0.801 17.852 19.000 -0.579 0.000 0.790 278 A HN 0.640 nan 8.150 nan 0.000 0.478 279 F N -0.787 119.195 119.950 0.052 0.000 2.682 279 F HA 0.226 4.753 4.527 0.001 0.000 0.308 279 F C 0.978 176.868 175.800 0.150 0.000 1.093 279 F CA -0.275 57.774 58.000 0.081 0.000 1.244 279 F CB 0.338 39.372 39.000 0.056 0.000 1.052 279 F HN 0.132 nan 8.300 nan 0.000 0.573 280 Q N 0.319 120.249 119.800 0.217 0.000 2.205 280 Q HA 0.321 4.662 4.340 0.001 0.000 0.249 280 Q C 1.212 177.200 176.000 -0.020 0.000 0.948 280 Q CA -0.577 55.309 55.803 0.138 0.000 0.895 280 Q CB 2.022 30.798 28.738 0.064 0.000 1.249 280 Q HN 0.140 nan 8.270 nan 0.000 0.458 281 R N 0.925 121.240 120.500 -0.308 0.000 2.075 281 R HA -0.017 4.323 4.340 0.001 0.000 0.226 281 R C -0.031 176.153 176.300 -0.193 0.000 1.114 281 R CA 1.002 56.838 56.100 -0.441 0.000 0.972 281 R CB 0.447 30.298 30.300 -0.749 0.000 0.869 281 R HN 0.621 nan 8.270 nan 0.000 0.437 282 E N 0.555 120.670 120.200 -0.141 0.000 2.145 282 E HA 0.252 4.602 4.350 0.001 0.000 0.270 282 E C -1.666 174.904 176.600 -0.050 0.000 0.906 282 E CA -0.558 55.791 56.400 -0.083 0.000 0.761 282 E CB 1.944 31.601 29.700 -0.073 0.000 1.116 282 E HN -0.048 nan 8.360 nan 0.000 0.408 283 V N 3.604 123.493 119.914 -0.041 0.000 2.409 283 V HA 0.476 4.597 4.120 0.001 0.000 0.291 283 V C 0.557 176.637 176.094 -0.022 0.000 1.020 283 V CA -0.568 61.716 62.300 -0.027 0.000 0.848 283 V CB 1.141 32.947 31.823 -0.028 0.000 0.990 283 V HN 0.793 nan 8.190 nan 0.000 0.430 284 R N 5.052 125.543 120.500 -0.015 0.000 2.489 284 R HA 0.585 4.925 4.340 0.001 0.000 0.287 284 R C -0.425 175.868 176.300 -0.012 0.000 1.053 284 R CA -0.036 56.056 56.100 -0.012 0.000 1.036 284 R CB -0.201 30.094 30.300 -0.008 0.000 0.966 284 R HN 0.738 nan 8.270 nan 0.000 0.432 285 L N 3.719 124.935 121.223 -0.012 0.000 2.421 285 L HA 0.326 4.667 4.340 0.001 0.000 0.263 285 L C -1.091 175.771 176.870 -0.012 0.000 1.122 285 L CA -2.011 52.822 54.840 -0.012 0.000 0.804 285 L CB 1.751 43.803 42.059 -0.011 0.000 1.150 285 L HN 0.494 nan 8.230 nan 0.000 0.457 286 P HA -0.153 nan 4.420 nan 0.000 0.216 286 P C 1.383 178.675 177.300 -0.014 0.000 1.153 286 P CA 1.224 64.315 63.100 -0.014 0.000 0.858 286 P CB 0.262 31.950 31.700 -0.019 0.000 0.789 287 S N -2.473 113.216 115.700 -0.018 0.000 2.436 287 S HA 0.141 4.612 4.470 0.001 0.000 0.228 287 S C 1.663 176.257 174.600 -0.010 0.000 1.014 287 S CA 1.370 59.561 58.200 -0.016 0.000 0.950 287 S CB -0.355 62.832 63.200 -0.022 0.000 0.784 287 S HN 0.393 nan 8.310 nan 0.000 0.504 288 G N -0.035 108.759 108.800 -0.009 0.000 2.738 288 G HA2 -0.020 3.941 3.960 0.001 0.000 0.195 288 G HA3 -0.020 3.941 3.960 0.001 0.000 0.195 288 G C 0.375 175.271 174.900 -0.006 0.000 1.001 288 G CA -0.208 44.889 45.100 -0.006 0.000 0.759 288 G HN 0.717 nan 8.290 nan 0.000 0.494 289 G N 0.300 109.096 108.800 -0.006 0.000 2.631 289 G HA2 0.622 4.582 3.960 0.001 0.000 0.271 289 G HA3 0.622 4.582 3.960 0.001 0.000 0.271 289 G C 0.377 175.272 174.900 -0.009 0.000 1.302 289 G CA 1.150 46.247 45.100 -0.004 0.000 1.002 289 G HN 1.727 nan 8.290 nan 0.000 0.519 290 S N -1.912 113.781 115.700 -0.011 0.000 2.625 290 S HA 0.643 5.113 4.470 0.001 0.000 0.271 290 S C -0.704 173.879 174.600 -0.028 0.000 1.161 290 S CA -0.825 57.364 58.200 -0.020 0.000 0.820 290 S CB 1.447 64.633 63.200 -0.023 0.000 1.137 290 S HN 1.255 nan 8.310 nan 0.000 0.470 291 I N -0.804 119.743 120.570 -0.038 0.000 2.474 291 I HA 0.851 5.022 4.170 0.001 0.000 0.294 291 I C -1.201 174.879 176.117 -0.062 0.000 1.005 291 I CA -1.290 59.977 61.300 -0.055 0.000 1.113 291 I CB 1.878 39.840 38.000 -0.063 0.000 1.289 291 I HN 0.406 nan 8.210 nan 0.000 0.436 292 V N 6.925 126.798 119.914 -0.069 0.000 2.347 292 V HA 0.403 4.524 4.120 0.001 0.000 0.280 292 V C 0.157 176.206 176.094 -0.075 0.000 1.021 292 V CA -0.335 61.919 62.300 -0.076 0.000 0.847 292 V CB 1.296 33.077 31.823 -0.070 0.000 0.990 292 V HN 0.578 nan 8.190 nan 0.000 0.444 293 I N 4.744 125.269 120.570 -0.075 0.000 2.310 293 I HA 0.338 4.508 4.170 0.001 0.000 0.287 293 I C -0.311 175.788 176.117 -0.030 0.000 1.073 293 I CA -0.125 61.144 61.300 -0.050 0.000 1.216 293 I CB 0.575 38.553 38.000 -0.037 0.000 1.415 293 I HN 0.515 nan 8.210 nan 0.000 0.480 294 D N 4.470 124.859 120.400 -0.019 0.000 2.181 294 D HA 0.415 5.056 4.640 0.001 0.000 0.248 294 D C -0.180 176.141 176.300 0.035 0.000 1.020 294 D CA -0.092 53.916 54.000 0.013 0.000 0.891 294 D CB 2.184 42.983 40.800 -0.001 0.000 1.187 294 D HN 0.452 nan 8.370 nan 0.000 0.443 295 S N -0.277 115.469 115.700 0.077 0.000 2.521 295 S HA 0.695 5.166 4.470 0.001 0.000 0.295 295 S C 0.028 174.688 174.600 0.101 0.000 1.098 295 S CA -0.674 57.573 58.200 0.079 0.000 0.999 295 S CB 1.772 65.028 63.200 0.092 0.000 1.034 295 S HN 0.451 nan 8.310 nan 0.000 0.483 296 T N -0.360 114.231 114.554 0.061 0.000 2.797 296 T HA 0.767 5.118 4.350 0.001 0.000 0.267 296 T C 1.419 176.137 174.700 0.031 0.000 0.986 296 T CA 0.100 62.233 62.100 0.055 0.000 0.999 296 T CB -0.084 68.802 68.868 0.030 0.000 1.508 296 T HN 0.810 nan 8.240 nan 0.000 0.595 297 E N -0.090 120.121 120.200 0.018 0.000 2.072 297 E HA 0.210 4.561 4.350 0.001 0.000 0.190 297 E C 2.328 178.925 176.600 -0.005 0.000 0.982 297 E CA 1.548 57.947 56.400 -0.003 0.000 0.803 297 E CB -1.247 28.452 29.700 -0.002 0.000 0.755 297 E HN 0.875 nan 8.360 nan 0.000 0.453 298 A N -0.785 122.035 122.820 -0.001 0.000 1.903 298 A HA 0.477 4.798 4.320 0.001 0.000 0.213 298 A C 1.144 178.727 177.584 -0.002 0.000 1.185 298 A CA 1.477 53.512 52.037 -0.004 0.000 0.628 298 A CB -0.042 18.955 19.000 -0.005 0.000 0.830 298 A HN 0.923 nan 8.150 nan 0.000 0.446 299 L N -5.535 115.689 121.223 0.001 0.000 2.654 299 L HA 0.692 5.033 4.340 0.001 0.000 0.257 299 L C -0.922 175.951 176.870 0.005 0.000 1.093 299 L CA -0.578 54.262 54.840 0.000 0.000 0.903 299 L CB 1.335 43.392 42.059 -0.005 0.000 1.520 299 L HN -0.237 nan 8.230 nan 0.000 0.402 300 T N 1.052 115.606 114.554 -0.001 0.000 2.788 300 T HA 0.796 5.146 4.350 0.001 0.000 0.296 300 T C -0.197 174.492 174.700 -0.017 0.000 1.009 300 T CA -0.048 62.051 62.100 -0.001 0.000 0.949 300 T CB 1.103 69.971 68.868 -0.001 0.000 0.946 300 T HN 0.895 nan 8.240 nan 0.000 0.453 301 A N 4.502 127.311 122.820 -0.018 0.000 2.269 301 A HA 0.688 5.008 4.320 0.001 0.000 0.302 301 A C -0.051 177.501 177.584 -0.053 0.000 1.266 301 A CA -0.606 51.410 52.037 -0.036 0.000 0.894 301 A CB -0.121 18.863 19.000 -0.027 0.000 1.147 301 A HN 0.902 nan 8.150 nan 0.000 0.537 302 I N 2.778 123.297 120.570 -0.085 0.000 2.354 302 I HA 0.205 4.375 4.170 0.001 0.000 0.286 302 I C -0.563 175.471 176.117 -0.138 0.000 1.007 302 I CA -0.506 60.727 61.300 -0.112 0.000 1.167 302 I CB 1.516 39.432 38.000 -0.140 0.000 1.320 302 I HN 0.617 nan 8.210 nan 0.000 0.458 303 D N 7.014 127.353 120.400 -0.102 0.000 2.225 303 D HA 0.571 5.211 4.640 0.001 0.000 0.249 303 D C -0.721 175.524 176.300 -0.091 0.000 1.052 303 D CA -0.095 53.851 54.000 -0.089 0.000 0.909 303 D CB 1.355 42.121 40.800 -0.056 0.000 1.186 303 D HN 0.303 nan 8.370 nan 0.000 0.431 304 I N 3.049 123.575 120.570 -0.074 0.000 2.447 304 I HA 0.317 4.488 4.170 0.001 0.000 0.287 304 I C -0.329 175.785 176.117 -0.006 0.000 1.023 304 I CA -0.900 60.373 61.300 -0.045 0.000 1.083 304 I CB 1.480 39.456 38.000 -0.041 0.000 1.245 304 I HN 0.203 nan 8.210 nan 0.000 0.434 305 N N 4.182 122.878 118.700 -0.006 0.000 2.384 305 N HA 0.528 5.268 4.740 0.001 0.000 0.301 305 N C -0.574 174.942 175.510 0.009 0.000 1.133 305 N CA -0.552 52.500 53.050 0.004 0.000 0.853 305 N CB 2.247 40.731 38.487 -0.006 0.000 1.241 305 N HN 0.624 nan 8.380 nan 0.000 0.502 306 S N -0.377 115.331 115.700 0.014 0.000 2.745 306 S HA 0.813 5.284 4.470 0.001 0.000 0.292 306 S C 0.203 174.807 174.600 0.007 0.000 1.127 306 S CA -0.828 57.380 58.200 0.013 0.000 1.007 306 S CB 1.019 64.231 63.200 0.021 0.000 1.165 306 S HN 0.703 nan 8.310 nan 0.000 0.544 315 I N 1.966 122.558 120.570 0.038 0.000 2.163 315 I HA -0.127 4.043 4.170 0.001 0.000 0.240 315 I C 2.077 178.229 176.117 0.058 0.000 1.081 315 I CA 0.521 61.846 61.300 0.042 0.000 1.353 315 I CB -0.000 38.022 38.000 0.037 0.000 1.054 315 I HN 0.464 nan 8.210 nan 0.000 0.407 316 E N 0.717 120.958 120.200 0.068 0.000 2.097 316 E HA -0.292 4.059 4.350 0.001 0.000 0.196 316 E C 2.001 178.663 176.600 0.103 0.000 1.000 316 E CA 1.594 58.054 56.400 0.099 0.000 0.804 316 E CB -0.243 29.524 29.700 0.112 0.000 0.740 316 E HN 0.465 nan 8.360 nan 0.000 0.454 317 E N 0.184 120.440 120.200 0.093 0.000 2.107 317 E HA -0.091 4.260 4.350 0.001 0.000 0.191 317 E C 1.920 178.563 176.600 0.073 0.000 0.982 317 E CA 1.609 58.068 56.400 0.099 0.000 0.809 317 E CB -0.174 29.577 29.700 0.084 0.000 0.756 317 E HN 0.084 nan 8.360 nan 0.000 0.459 318 T N 0.255 114.840 114.554 0.052 0.000 2.674 318 T HA -0.114 4.236 4.350 0.001 0.000 0.265 318 T C 1.868 176.588 174.700 0.034 0.000 1.039 318 T CA 1.596 63.715 62.100 0.031 0.000 1.150 318 T CB -0.610 68.275 68.868 0.029 0.000 0.864 318 T HN 0.358 nan 8.240 nan 0.000 0.427 319 A N 1.233 124.089 122.820 0.060 0.000 1.908 319 A HA -0.071 4.250 4.320 0.001 0.000 0.218 319 A C 2.039 179.675 177.584 0.087 0.000 1.181 319 A CA 1.524 53.607 52.037 0.077 0.000 0.627 319 A CB -0.981 18.075 19.000 0.093 0.000 0.818 319 A HN 0.462 nan 8.150 nan 0.000 0.445 320 F N 1.309 121.177 119.950 -0.137 0.000 2.146 320 F HA -0.134 4.393 4.527 0.001 0.000 0.298 320 F C 2.057 177.754 175.800 -0.171 0.000 1.096 320 F CA 1.780 59.621 58.000 -0.264 0.000 1.275 320 F CB -0.416 38.201 39.000 -0.638 0.000 1.008 320 F HN 0.328 nan 8.300 nan 0.000 0.480 321 N N -0.511 118.048 118.700 -0.234 0.000 2.216 321 N HA -0.132 4.608 4.740 0.001 0.000 0.183 321 N C 1.551 176.947 175.510 -0.190 0.000 1.017 321 N CA 1.740 54.605 53.050 -0.308 0.000 0.861 321 N CB -0.046 38.350 38.487 -0.151 0.000 0.986 321 N HN 0.296 nan 8.380 nan 0.000 0.428 322 T N 1.062 115.564 114.554 -0.086 0.000 2.904 322 T HA 0.010 4.361 4.350 0.001 0.000 0.267 322 T C 1.517 176.220 174.700 0.004 0.000 1.059 322 T CA 0.613 62.695 62.100 -0.030 0.000 1.137 322 T CB -0.106 68.767 68.868 0.009 0.000 0.879 322 T HN 0.250 nan 8.240 nan 0.000 0.467 323 N N 1.273 119.978 118.700 0.008 0.000 2.188 323 N HA 0.080 4.820 4.740 0.001 0.000 0.184 323 N C 1.815 177.322 175.510 -0.005 0.000 1.018 323 N CA 0.681 53.793 53.050 0.103 0.000 0.858 323 N CB -0.429 38.090 38.487 0.054 0.000 0.989 323 N HN 0.344 nan 8.380 nan 0.000 0.426 324 L N 1.268 122.368 121.223 -0.205 0.000 2.046 324 L HA -0.125 4.216 4.340 0.001 0.000 0.208 324 L C 2.149 178.961 176.870 -0.098 0.000 1.077 324 L CA 1.199 55.903 54.840 -0.226 0.000 0.747 324 L CB -0.321 41.486 42.059 -0.419 0.000 0.896 324 L HN 0.172 nan 8.230 nan 0.000 0.432 325 E N 0.002 120.152 120.200 -0.082 0.000 2.110 325 E HA -0.215 4.135 4.350 0.001 0.000 0.193 325 E C 2.310 178.917 176.600 0.011 0.000 0.988 325 E CA 1.064 57.441 56.400 -0.038 0.000 0.804 325 E CB -0.154 29.521 29.700 -0.041 0.000 0.745 325 E HN 0.505 nan 8.360 nan 0.000 0.458 326 A N 1.707 124.559 122.820 0.054 0.000 1.883 326 A HA -0.172 4.149 4.320 0.001 0.000 0.217 326 A C 2.445 180.102 177.584 0.122 0.000 1.186 326 A CA 1.848 53.937 52.037 0.087 0.000 0.624 326 A CB -0.770 18.311 19.000 0.137 0.000 0.822 326 A HN 0.302 nan 8.150 nan 0.000 0.444 327 A N -0.182 122.769 122.820 0.217 0.000 1.940 327 A HA -0.237 4.084 4.320 0.001 0.000 0.219 327 A C 1.808 179.446 177.584 0.089 0.000 1.176 327 A CA 2.069 54.230 52.037 0.207 0.000 0.631 327 A CB -0.646 18.452 19.000 0.162 0.000 0.814 327 A HN 0.498 nan 8.150 nan 0.000 0.446 328 D N -0.800 119.627 120.400 0.044 0.000 2.084 328 D HA -0.135 4.506 4.640 0.001 0.000 0.194 328 D C 1.994 178.305 176.300 0.018 0.000 0.990 328 D CA 1.713 55.724 54.000 0.018 0.000 0.826 328 D CB -0.289 40.508 40.800 -0.005 0.000 0.971 328 D HN 0.530 nan 8.370 nan 0.000 0.453 329 E N 0.643 120.852 120.200 0.014 0.000 2.047 329 E HA -0.072 4.278 4.350 0.001 0.000 0.191 329 E C 2.209 178.809 176.600 -0.001 0.000 0.987 329 E CA 0.591 56.993 56.400 0.003 0.000 0.799 329 E CB -0.418 29.279 29.700 -0.005 0.000 0.752 329 E HN 0.268 nan 8.360 nan 0.000 0.449 330 I N 0.442 121.014 120.570 0.003 0.000 2.264 330 I HA -0.320 3.851 4.170 0.001 0.000 0.248 330 I C 2.308 178.428 176.117 0.005 0.000 1.111 330 I CA 1.152 62.447 61.300 -0.009 0.000 1.382 330 I CB -0.364 37.626 38.000 -0.017 0.000 1.060 330 I HN 0.193 nan 8.210 nan 0.000 0.418 331 A N 1.654 124.489 122.820 0.023 0.000 1.883 331 A HA -0.259 4.061 4.320 0.001 0.000 0.217 331 A C 2.287 179.885 177.584 0.024 0.000 1.186 331 A CA 2.317 54.371 52.037 0.029 0.000 0.624 331 A CB -0.592 18.430 19.000 0.037 0.000 0.822 331 A HN 0.535 nan 8.150 nan 0.000 0.444 332 R N -1.331 119.181 120.500 0.020 0.000 2.153 332 R HA 0.034 4.375 4.340 0.001 0.000 0.218 332 R C 1.849 178.142 176.300 -0.011 0.000 1.072 332 R CA 1.263 57.373 56.100 0.018 0.000 0.990 332 R CB -0.430 29.887 30.300 0.029 0.000 0.889 332 R HN 0.351 nan 8.270 nan 0.000 0.452 333 Q N 1.090 120.878 119.800 -0.021 0.000 2.124 333 Q HA -0.013 4.327 4.340 0.001 0.000 0.202 333 Q C 2.179 178.154 176.000 -0.042 0.000 0.977 333 Q CA 1.425 57.203 55.803 -0.042 0.000 0.850 333 Q CB -0.203 28.510 28.738 -0.041 0.000 0.901 333 Q HN 0.447 nan 8.270 nan 0.000 0.429 334 L N -0.075 121.136 121.223 -0.021 0.000 2.083 334 L HA -0.187 4.154 4.340 0.001 0.000 0.209 334 L C 2.622 179.486 176.870 -0.011 0.000 1.083 334 L CA 1.143 55.975 54.840 -0.013 0.000 0.752 334 L CB -0.316 41.744 42.059 0.001 0.000 0.899 334 L HN 0.168 nan 8.230 nan 0.000 0.433 335 R N -0.072 120.425 120.500 -0.005 0.000 2.057 335 R HA -0.075 4.265 4.340 0.001 0.000 0.229 335 R C 2.326 178.605 176.300 -0.036 0.000 1.136 335 R CA 1.130 57.230 56.100 -0.000 0.000 0.952 335 R CB -0.363 29.949 30.300 0.021 0.000 0.848 335 R HN 0.296 nan 8.270 nan 0.000 0.430 336 L N 0.190 121.372 121.223 -0.067 0.000 2.017 336 L HA -0.171 4.170 4.340 0.001 0.000 0.208 336 L C 2.505 179.287 176.870 -0.146 0.000 1.073 336 L CA 1.512 56.282 54.840 -0.116 0.000 0.745 336 L CB -0.414 41.562 42.059 -0.139 0.000 0.894 336 L HN 0.150 nan 8.230 nan 0.000 0.432 337 R N -0.263 120.157 120.500 -0.134 0.000 2.189 337 R HA -0.131 4.209 4.340 0.001 0.000 0.218 337 R C 0.326 176.585 176.300 -0.067 0.000 1.074 337 R CA 0.758 56.779 56.100 -0.132 0.000 0.991 337 R CB -0.274 29.967 30.300 -0.097 0.000 0.883 337 R HN 0.218 nan 8.270 nan 0.000 0.457 338 D N 0.074 120.449 120.400 -0.042 0.000 2.746 338 D HA -0.160 4.480 4.640 0.001 0.000 0.236 338 D C -0.974 175.321 176.300 -0.007 0.000 1.129 338 D CA 0.372 54.364 54.000 -0.014 0.000 0.691 338 D CB -1.020 39.777 40.800 -0.005 0.000 1.077 338 D HN 0.129 nan 8.370 nan 0.000 0.432 339 L N -0.199 121.018 121.223 -0.011 0.000 2.483 339 L HA 0.489 4.830 4.340 0.001 0.000 0.276 339 L C 1.686 178.557 176.870 0.001 0.000 1.213 339 L CA 0.883 55.720 54.840 -0.004 0.000 0.843 339 L CB 0.827 42.882 42.059 -0.007 0.000 1.107 339 L HN 0.291 nan 8.230 nan 0.000 0.487 340 G N 0.235 109.036 108.800 0.002 0.000 2.730 340 G HA2 0.637 4.597 3.960 0.001 0.000 0.289 340 G HA3 0.637 4.597 3.960 0.001 0.000 0.289 340 G C -0.157 174.745 174.900 0.002 0.000 1.341 340 G CA -0.077 45.025 45.100 0.003 0.000 0.932 340 G HN 0.976 nan 8.290 nan 0.000 0.481 341 G N -1.112 107.689 108.800 0.002 0.000 2.527 341 G HA2 -0.174 3.787 3.960 0.001 0.000 0.268 341 G HA3 -0.174 3.787 3.960 0.001 0.000 0.268 341 G C -0.144 174.757 174.900 0.002 0.000 1.175 341 G CA 0.151 45.251 45.100 0.001 0.000 0.962 341 G HN 1.051 nan 8.290 nan 0.000 0.560 342 L N 0.619 121.842 121.223 0.001 0.000 2.295 342 L HA 0.713 5.053 4.340 0.001 0.000 0.285 342 L C -0.135 176.734 176.870 -0.002 0.000 1.035 342 L CA -0.652 54.188 54.840 0.001 0.000 0.806 342 L CB 1.447 43.506 42.059 0.000 0.000 1.214 342 L HN 0.464 nan 8.230 nan 0.000 0.426 343 I N 3.577 124.145 120.570 -0.002 0.000 2.478 343 I HA 0.384 4.554 4.170 0.001 0.000 0.287 343 I C -0.659 175.451 176.117 -0.012 0.000 1.042 343 I CA -0.601 60.693 61.300 -0.011 0.000 1.067 343 I CB 2.186 40.179 38.000 -0.012 0.000 1.233 343 I HN 0.126 nan 8.210 nan 0.000 0.431 344 V N 7.064 126.963 119.914 -0.024 0.000 2.417 344 V HA 0.504 4.624 4.120 0.001 0.000 0.291 344 V C -0.094 175.957 176.094 -0.072 0.000 1.024 344 V CA -0.459 61.825 62.300 -0.027 0.000 0.861 344 V CB 1.837 33.649 31.823 -0.019 0.000 0.985 344 V HN 0.481 nan 8.190 nan 0.000 0.436 345 I N 3.407 123.915 120.570 -0.103 0.000 2.389 345 I HA 0.342 4.513 4.170 0.001 0.000 0.288 345 I C -0.515 175.458 176.117 -0.240 0.000 0.999 345 I CA -0.399 60.742 61.300 -0.266 0.000 1.129 345 I CB 1.798 39.492 38.000 -0.510 0.000 1.288 345 I HN 0.520 nan 8.210 nan 0.000 0.444 346 D N 6.946 127.219 120.400 -0.211 0.000 2.494 346 D HA 0.233 4.873 4.640 0.001 0.000 0.217 346 D C -0.361 175.873 176.300 -0.110 0.000 1.153 346 D CA -0.166 53.779 54.000 -0.091 0.000 0.954 346 D CB 0.114 40.889 40.800 -0.041 0.000 1.034 346 D HN 0.037 nan 8.370 nan 0.000 0.518 347 F N 2.168 122.144 119.950 0.043 0.000 2.496 347 F HA 0.195 4.723 4.527 0.001 0.000 0.344 347 F C 1.350 177.178 175.800 0.046 0.000 1.155 347 F CA -0.385 57.640 58.000 0.043 0.000 1.302 347 F CB 0.377 39.410 39.000 0.056 0.000 1.159 347 F HN 0.189 nan 8.300 nan 0.000 0.595 348 I N 2.048 122.783 120.570 0.276 0.000 2.710 348 I HA -0.079 4.091 4.170 0.001 0.000 0.286 348 I C 0.631 176.849 176.117 0.169 0.000 1.181 348 I CA 0.167 61.568 61.300 0.168 0.000 1.430 348 I CB 0.011 38.088 38.000 0.128 0.000 1.367 348 I HN 0.438 nan 8.210 nan 0.000 0.577 349 D N 6.760 127.236 120.400 0.126 0.000 2.455 349 D HA 0.231 4.871 4.640 0.001 0.000 0.241 349 D C -0.550 175.812 176.300 0.102 0.000 1.138 349 D CA 0.516 54.583 54.000 0.111 0.000 0.877 349 D CB 0.699 41.550 40.800 0.085 0.000 1.187 349 D HN 0.328 nan 8.370 nan 0.000 0.451 350 M N 1.137 120.795 119.600 0.097 0.000 2.393 350 M HA 0.110 4.591 4.480 0.001 0.000 0.299 350 M C 1.199 177.534 176.300 0.059 0.000 1.103 350 M CA -0.706 54.656 55.300 0.103 0.000 0.910 350 M CB 2.360 35.047 32.600 0.145 0.000 1.659 350 M HN 0.271 nan 8.290 nan 0.000 0.445 351 T N -1.904 112.675 114.554 0.041 0.000 3.009 351 T HA 0.210 4.561 4.350 0.001 0.000 0.258 351 T C -1.658 173.005 174.700 -0.061 0.000 1.063 351 T CA 0.138 62.233 62.100 -0.008 0.000 1.139 351 T CB -1.212 67.650 68.868 -0.010 0.000 0.890 351 T HN 0.381 nan 8.240 nan 0.000 0.471 352 P HA 0.443 nan 4.420 nan 0.000 0.281 352 P C 0.817 177.998 177.300 -0.199 0.000 1.252 352 P CA -0.423 62.532 63.100 -0.241 0.000 0.778 352 P CB 1.592 32.963 31.700 -0.547 0.000 0.895 353 V N 3.680 123.499 119.914 -0.159 0.000 2.594 353 V HA -0.243 3.877 4.120 0.001 0.000 0.253 353 V C 2.333 178.353 176.094 -0.123 0.000 1.069 353 V CA 2.049 64.280 62.300 -0.114 0.000 1.082 353 V CB -1.036 30.727 31.823 -0.100 0.000 0.680 353 V HN 0.630 nan 8.190 nan 0.000 0.469 354 R N -0.823 119.559 120.500 -0.196 0.000 2.148 354 R HA -0.122 4.219 4.340 0.001 0.000 0.223 354 R C 2.136 178.349 176.300 -0.145 0.000 1.088 354 R CA 1.474 57.468 56.100 -0.176 0.000 0.985 354 R CB -0.644 29.526 30.300 -0.217 0.000 0.880 354 R HN 0.447 nan 8.270 nan 0.000 0.451 355 H N 1.362 120.259 119.070 -0.288 0.000 2.357 355 H HA -0.021 4.535 4.556 0.001 0.000 0.301 355 H C 1.970 177.255 175.328 -0.071 0.000 1.082 355 H CA 1.685 57.496 56.048 -0.395 0.000 1.342 355 H CB -0.269 29.200 29.762 -0.488 0.000 1.389 355 H HN 0.417 nan 8.280 nan 0.000 0.511 356 Q N 0.389 120.220 119.800 0.052 0.000 2.096 356 Q HA -0.133 4.207 4.340 0.001 0.000 0.204 356 Q C 2.436 178.442 176.000 0.009 0.000 0.982 356 Q CA 1.245 57.056 55.803 0.013 0.000 0.850 356 Q CB -0.053 28.685 28.738 0.000 0.000 0.901 356 Q HN 0.373 nan 8.270 nan 0.000 0.422 357 R N 0.011 120.522 120.500 0.019 0.000 2.096 357 R HA -0.085 4.256 4.340 0.001 0.000 0.235 357 R C 2.218 178.550 176.300 0.053 0.000 1.127 357 R CA 1.134 57.257 56.100 0.037 0.000 0.968 357 R CB -0.266 30.045 30.300 0.019 0.000 0.861 357 R HN 0.215 nan 8.270 nan 0.000 0.440 358 A N 0.340 123.218 122.820 0.098 0.000 1.968 358 A HA -0.046 4.275 4.320 0.001 0.000 0.217 358 A C 2.194 179.847 177.584 0.115 0.000 1.169 358 A CA 0.889 53.026 52.037 0.166 0.000 0.638 358 A CB -0.077 19.133 19.000 0.350 0.000 0.812 358 A HN 0.106 nan 8.150 nan 0.000 0.446 359 V N -0.057 119.894 119.914 0.061 0.000 2.591 359 V HA -0.179 3.941 4.120 0.001 0.000 0.249 359 V C 2.280 178.246 176.094 -0.212 0.000 1.053 359 V CA 1.890 64.091 62.300 -0.165 0.000 1.068 359 V CB -0.611 30.984 31.823 -0.381 0.000 0.689 359 V HN 0.612 nan 8.190 nan 0.000 0.462 360 E N 0.474 120.609 120.200 -0.108 0.000 2.028 360 E HA -0.185 4.166 4.350 0.001 0.000 0.191 360 E C 2.009 178.609 176.600 0.001 0.000 0.988 360 E CA 1.359 57.741 56.400 -0.030 0.000 0.799 360 E CB -0.191 29.532 29.700 0.037 0.000 0.755 360 E HN 0.531 nan 8.360 nan 0.000 0.447 361 N N 0.697 119.405 118.700 0.014 0.000 2.309 361 N HA -0.121 4.619 4.740 0.001 0.000 0.182 361 N C 1.721 177.237 175.510 0.010 0.000 1.018 361 N CA 0.561 53.622 53.050 0.019 0.000 0.876 361 N CB -0.116 38.388 38.487 0.029 0.000 0.972 361 N HN -0.013 nan 8.380 nan 0.000 0.434 362 R N 1.633 122.132 120.500 -0.001 0.000 2.082 362 R HA -0.031 4.310 4.340 0.001 0.000 0.234 362 R C 2.065 178.370 176.300 0.009 0.000 1.136 362 R CA 1.053 57.147 56.100 -0.011 0.000 0.935 362 R CB -1.163 29.110 30.300 -0.045 0.000 0.842 362 R HN 0.219 nan 8.270 nan 0.000 0.430 363 L N 0.783 122.022 121.223 0.027 0.000 2.083 363 L HA -0.075 4.266 4.340 0.001 0.000 0.209 363 L C 2.282 179.180 176.870 0.048 0.000 1.083 363 L CA 1.755 56.636 54.840 0.069 0.000 0.752 363 L CB -0.344 41.799 42.059 0.138 0.000 0.899 363 L HN 0.145 nan 8.230 nan 0.000 0.433 364 R N -0.461 120.058 120.500 0.032 0.000 2.081 364 R HA -0.142 4.198 4.340 0.001 0.000 0.235 364 R C 2.224 178.534 176.300 0.016 0.000 1.131 364 R CA 1.640 57.753 56.100 0.021 0.000 0.960 364 R CB -0.556 29.752 30.300 0.013 0.000 0.856 364 R HN 0.617 nan 8.270 nan 0.000 0.436 365 E N 0.389 120.595 120.200 0.010 0.000 2.358 365 E HA 0.080 4.430 4.350 0.001 0.000 0.195 365 E C 1.639 178.241 176.600 0.004 0.000 1.010 365 E CA 0.874 57.276 56.400 0.003 0.000 0.856 365 E CB -0.175 29.523 29.700 -0.004 0.000 0.795 365 E HN 0.490 nan 8.360 nan 0.000 0.504 366 A N 0.272 123.099 122.820 0.012 0.000 2.072 366 A HA 0.224 4.544 4.320 0.001 0.000 0.216 366 A C 2.239 179.839 177.584 0.026 0.000 1.156 366 A CA 1.351 53.397 52.037 0.015 0.000 0.701 366 A CB 0.133 19.146 19.000 0.021 0.000 0.816 366 A HN 0.547 nan 8.150 nan 0.000 0.458 367 V N -0.802 119.130 119.914 0.031 0.000 3.621 367 V HA 0.083 4.203 4.120 0.001 0.000 0.285 367 V C 2.013 178.130 176.094 0.039 0.000 1.346 367 V CA 0.737 63.060 62.300 0.038 0.000 1.104 367 V CB -0.711 31.135 31.823 0.038 0.000 0.913 367 V HN 0.623 nan 8.190 nan 0.000 0.432 368 R N 2.016 122.532 120.500 0.027 0.000 2.152 368 R HA -0.230 4.111 4.340 0.001 0.000 0.232 368 R C 2.128 178.451 176.300 0.038 0.000 1.117 368 R CA 2.045 58.157 56.100 0.020 0.000 0.981 368 R CB 0.084 30.385 30.300 0.000 0.000 0.870 368 R HN 0.735 nan 8.270 nan 0.000 0.451 369 Q N -0.246 119.584 119.800 0.050 0.000 2.360 369 Q HA 0.098 4.439 4.340 0.001 0.000 0.202 369 Q C -0.262 175.811 176.000 0.123 0.000 0.915 369 Q CA 0.145 55.999 55.803 0.085 0.000 0.943 369 Q CB 0.176 28.957 28.738 0.072 0.000 1.064 369 Q HN 0.060 nan 8.270 nan 0.000 0.511 370 D N 1.090 121.550 120.400 0.100 0.000 2.390 370 D HA 0.063 4.703 4.640 0.001 0.000 0.249 370 D C 0.445 176.806 176.300 0.102 0.000 1.144 370 D CA -0.027 54.032 54.000 0.098 0.000 0.880 370 D CB 0.827 41.669 40.800 0.070 0.000 1.182 370 D HN 0.149 nan 8.370 nan 0.000 0.451 371 R N 2.283 122.836 120.500 0.088 0.000 2.115 371 R HA -0.009 4.331 4.340 0.001 0.000 0.230 371 R C 0.795 177.124 176.300 0.048 0.000 1.111 371 R CA 0.516 56.650 56.100 0.056 0.000 0.976 371 R CB -0.122 30.158 30.300 -0.033 0.000 0.870 371 R HN 0.448 nan 8.270 nan 0.000 0.445 372 A N 1.443 124.288 122.820 0.042 0.000 2.466 372 A HA 0.325 4.646 4.320 0.001 0.000 0.238 372 A C 0.362 177.968 177.584 0.037 0.000 1.074 372 A CA 0.132 52.188 52.037 0.031 0.000 0.774 372 A CB 0.003 19.020 19.000 0.028 0.000 1.015 372 A HN 0.494 nan 8.150 nan 0.000 0.498 373 R N 1.362 121.879 120.500 0.028 0.000 2.343 373 R HA 0.496 4.836 4.340 0.001 0.000 0.326 373 R C -0.482 175.831 176.300 0.022 0.000 1.055 373 R CA 0.441 56.557 56.100 0.027 0.000 0.961 373 R CB -0.730 29.582 30.300 0.020 0.000 0.978 373 R HN 0.664 nan 8.270 nan 0.000 0.443 374 I N 2.092 122.676 120.570 0.024 0.000 2.465 374 I HA 0.298 4.469 4.170 0.001 0.000 0.291 374 I C -0.091 176.034 176.117 0.013 0.000 1.014 374 I CA -0.710 60.602 61.300 0.020 0.000 1.093 374 I CB 2.421 40.436 38.000 0.025 0.000 1.267 374 I HN 0.664 nan 8.210 nan 0.000 0.431 375 Q N 6.487 126.293 119.800 0.009 0.000 2.337 375 Q HA 0.658 4.999 4.340 0.001 0.000 0.270 375 Q C -1.303 174.696 176.000 -0.002 0.000 1.043 375 Q CA -0.649 55.154 55.803 0.001 0.000 0.794 375 Q CB 3.333 32.070 28.738 -0.001 0.000 1.281 375 Q HN 0.518 nan 8.270 nan 0.000 0.446 376 I N 1.548 122.109 120.570 -0.015 0.000 2.498 376 I HA 0.285 4.455 4.170 0.001 0.000 0.290 376 I C 0.339 176.411 176.117 -0.075 0.000 1.032 376 I CA -0.403 60.886 61.300 -0.017 0.000 1.073 376 I CB 2.040 40.040 38.000 0.001 0.000 1.251 376 I HN 0.667 nan 8.210 nan 0.000 0.426 377 S N 4.789 120.448 115.700 -0.068 0.000 2.590 377 S HA 0.511 4.982 4.470 0.001 0.000 0.282 377 S C 0.079 174.565 174.600 -0.190 0.000 1.136 377 S CA -0.620 57.486 58.200 -0.158 0.000 1.030 377 S CB 0.735 63.912 63.200 -0.039 0.000 1.195 377 S HN 0.505 nan 8.310 nan 0.000 0.506 378 H N -0.622 118.485 119.070 0.062 0.000 2.523 378 H HA 0.454 5.011 4.556 0.001 0.000 0.345 378 H C -0.325 175.055 175.328 0.088 0.000 1.261 378 H CA -0.707 55.377 56.048 0.061 0.000 1.343 378 H CB 0.460 30.248 29.762 0.042 0.000 1.650 378 H HN 0.466 nan 8.280 nan 0.000 0.591 379 I N 2.153 122.870 120.570 0.246 0.000 2.421 379 I HA -0.044 4.127 4.170 0.001 0.000 0.291 379 I C 1.110 177.322 176.117 0.160 0.000 1.089 379 I CA -0.074 61.341 61.300 0.192 0.000 1.354 379 I CB 0.313 38.394 38.000 0.135 0.000 1.413 379 I HN 0.485 nan 8.210 nan 0.000 0.513 380 S N 7.024 122.829 115.700 0.176 0.000 2.633 380 S HA 0.180 4.651 4.470 0.001 0.000 0.257 380 S C 1.379 176.023 174.600 0.073 0.000 1.265 380 S CA -0.672 57.619 58.200 0.151 0.000 0.980 380 S CB 0.606 63.950 63.200 0.241 0.000 1.017 380 S HN 0.772 nan 8.310 nan 0.000 0.577 381 R N -0.493 119.980 120.500 -0.045 0.000 2.285 381 R HA 0.001 4.341 4.340 0.001 0.000 0.213 381 R C 0.826 176.946 176.300 -0.300 0.000 1.068 381 R CA 1.200 57.162 56.100 -0.230 0.000 1.004 381 R CB -0.766 29.300 30.300 -0.389 0.000 0.873 381 R HN 0.637 nan 8.270 nan 0.000 0.467 382 F N 0.725 120.701 119.950 0.043 0.000 2.749 382 F HA 0.345 4.873 4.527 0.001 0.000 0.300 382 F C 1.400 177.234 175.800 0.057 0.000 1.103 382 F CA 0.479 58.505 58.000 0.043 0.000 1.342 382 F CB 0.622 39.645 39.000 0.038 0.000 1.098 382 F HN 0.270 nan 8.300 nan 0.000 0.586 383 G N 1.427 110.355 108.800 0.214 0.000 2.171 383 G HA2 -0.252 3.709 3.960 0.001 0.000 0.238 383 G HA3 -0.252 3.709 3.960 0.001 0.000 0.238 383 G C -0.259 174.771 174.900 0.217 0.000 1.039 383 G CA -0.301 44.912 45.100 0.189 0.000 0.759 383 G HN 0.259 nan 8.290 nan 0.000 0.501 384 L N -0.764 120.592 121.223 0.221 0.000 2.330 384 L HA 0.850 5.190 4.340 0.001 0.000 0.271 384 L C -0.006 176.991 176.870 0.210 0.000 1.013 384 L CA -1.403 53.547 54.840 0.183 0.000 0.816 384 L CB 1.868 44.002 42.059 0.125 0.000 1.287 384 L HN 0.120 nan 8.230 nan 0.000 0.435 385 L N 1.688 123.032 121.223 0.202 0.000 2.343 385 L HA 0.564 4.905 4.340 0.001 0.000 0.278 385 L C 0.032 176.969 176.870 0.112 0.000 0.996 385 L CA 0.098 55.064 54.840 0.209 0.000 0.831 385 L CB 1.403 43.692 42.059 0.383 0.000 1.232 385 L HN 0.719 nan 8.230 nan 0.000 0.413 386 E N 6.225 126.478 120.200 0.089 0.000 2.197 386 E HA 0.721 5.072 4.350 0.001 0.000 0.281 386 E C -0.635 175.988 176.600 0.038 0.000 0.995 386 E CA -0.061 56.369 56.400 0.050 0.000 0.808 386 E CB 1.413 31.139 29.700 0.044 0.000 1.093 386 E HN 0.777 nan 8.360 nan 0.000 0.394 387 M N -0.529 119.087 119.600 0.026 0.000 2.644 387 M HA 0.766 5.247 4.480 0.001 0.000 0.273 387 M C -0.661 175.646 176.300 0.013 0.000 1.253 387 M CA -0.752 54.560 55.300 0.021 0.000 0.852 387 M CB 2.381 35.000 32.600 0.031 0.000 1.708 387 M HN 0.526 nan 8.290 nan 0.000 0.471 388 S N 0.680 116.386 115.700 0.011 0.000 2.548 388 S HA 0.855 5.325 4.470 0.001 0.000 0.286 388 S C -1.165 173.441 174.600 0.010 0.000 1.098 388 S CA -0.855 57.350 58.200 0.008 0.000 0.930 388 S CB 2.559 65.763 63.200 0.007 0.000 1.070 388 S HN 1.031 nan 8.310 nan 0.000 0.480 389 R N 0.809 121.315 120.500 0.009 0.000 2.651 389 R HA 0.363 4.704 4.340 0.001 0.000 0.278 389 R C -1.506 174.800 176.300 0.009 0.000 1.010 389 R CA -0.425 55.682 56.100 0.011 0.000 0.896 389 R CB 1.979 32.286 30.300 0.012 0.000 1.211 389 R HN 0.859 nan 8.270 nan 0.000 0.456 390 Q N 2.325 122.132 119.800 0.011 0.000 2.406 390 Q HA 0.259 4.600 4.340 0.001 0.000 0.242 390 Q C -0.463 175.542 176.000 0.008 0.000 1.036 390 Q CA -0.246 55.562 55.803 0.008 0.000 0.904 390 Q CB 0.893 29.636 28.738 0.008 0.000 1.244 390 Q HN 0.677 nan 8.270 nan 0.000 0.478 391 R N 3.719 124.222 120.500 0.006 0.000 2.504 391 R HA -0.032 4.308 4.340 0.001 0.000 0.291 391 R C 0.442 176.746 176.300 0.006 0.000 0.974 391 R CA 0.448 56.552 56.100 0.007 0.000 1.077 391 R CB -0.591 29.712 30.300 0.005 0.000 0.926 391 R HN 0.865 nan 8.270 nan 0.000 0.407 392 L N 1.121 122.350 121.223 0.010 0.000 2.156 392 L HA 0.010 4.350 4.340 0.001 0.000 0.208 392 L C 1.358 178.230 176.870 0.003 0.000 1.095 392 L CA 1.910 56.754 54.840 0.006 0.000 0.770 392 L CB -0.125 41.942 42.059 0.013 0.000 0.914 392 L HN 0.951 nan 8.230 nan 0.000 0.439 397 G N -0.447 108.355 108.800 0.004 0.000 2.506 397 G HA2 0.814 4.774 3.960 0.001 0.000 0.292 397 G HA3 0.814 4.774 3.960 0.001 0.000 0.292 397 G C -1.137 173.767 174.900 0.007 0.000 1.425 397 G CA 0.472 45.577 45.100 0.009 0.000 0.788 397 G HN 1.470 nan 8.290 nan 0.000 0.490 398 E N -0.950 119.259 120.200 0.015 0.000 2.433 398 E HA 0.747 5.097 4.350 0.001 0.000 0.264 398 E C -0.135 176.484 176.600 0.031 0.000 0.960 398 E CA -0.831 55.577 56.400 0.014 0.000 0.866 398 E CB 1.517 31.220 29.700 0.004 0.000 1.615 398 E HN 0.726 nan 8.360 nan 0.000 0.442 399 S N -1.098 114.629 115.700 0.045 0.000 2.766 399 S HA 0.682 5.153 4.470 0.001 0.000 0.307 399 S C 0.908 175.574 174.600 0.110 0.000 1.121 399 S CA -0.114 58.127 58.200 0.068 0.000 0.980 399 S CB 0.926 64.165 63.200 0.065 0.000 1.159 399 S HN 0.694 nan 8.310 nan 0.000 0.546 400 S N -0.207 115.575 115.700 0.137 0.000 2.325 400 S HA 0.189 4.659 4.470 0.001 0.000 0.214 400 S C 0.821 175.479 174.600 0.097 0.000 1.031 400 S CA 0.496 58.803 58.200 0.178 0.000 0.972 400 S CB -0.699 62.678 63.200 0.294 0.000 0.908 400 S HN 0.786 nan 8.310 nan 0.000 0.453 401 H N 0.747 119.861 119.070 0.073 0.000 2.538 401 H HA 0.464 5.020 4.556 0.001 0.000 0.353 401 H C -0.684 174.674 175.328 0.050 0.000 1.109 401 H CA -0.718 55.343 56.048 0.022 0.000 1.192 401 H CB 1.494 31.247 29.762 -0.016 0.000 1.555 401 H HN 0.728 nan 8.280 nan 0.000 0.518 402 H N 0.044 119.181 119.070 0.112 0.000 2.869 402 H HA 0.441 4.998 4.556 0.001 0.000 0.342 402 H C -1.080 174.284 175.328 0.060 0.000 1.250 402 H CA -1.022 55.066 56.048 0.068 0.000 1.217 402 H CB 0.890 30.673 29.762 0.035 0.000 1.917 402 H HN 0.225 nan 8.280 nan 0.000 0.586 403 V N 1.158 121.116 119.914 0.074 0.000 2.465 403 V HA 0.038 4.158 4.120 0.001 0.000 0.279 403 V C 0.802 176.912 176.094 0.027 0.000 1.045 403 V CA -0.659 61.657 62.300 0.026 0.000 0.938 403 V CB 1.049 32.907 31.823 0.059 0.000 0.986 403 V HN 0.898 nan 8.190 nan 0.000 0.467 404 C N 8.813 128.103 119.300 -0.017 0.000 2.517 404 C HA 0.089 4.550 4.460 0.001 0.000 0.403 404 C C -0.409 174.614 174.990 0.055 0.000 1.467 404 C CA -0.715 58.303 59.018 -0.001 0.000 1.542 404 C CB -0.049 27.688 27.740 -0.007 0.000 2.482 404 C HN 0.815 nan 8.230 nan 0.000 0.610 405 P HA -0.091 nan 4.420 nan 0.000 0.218 405 P C 1.703 179.086 177.300 0.139 0.000 1.148 405 P CA 1.165 64.341 63.100 0.126 0.000 0.822 405 P CB 0.034 31.813 31.700 0.132 0.000 0.784 406 R N -0.479 120.074 120.500 0.089 0.000 2.057 406 R HA -0.041 4.299 4.340 0.001 0.000 0.229 406 R C 0.758 177.044 176.300 -0.022 0.000 1.136 406 R CA 1.130 57.258 56.100 0.046 0.000 0.952 406 R CB -1.088 29.230 30.300 0.030 0.000 0.848 406 R HN 0.205 nan 8.270 nan 0.000 0.430 407 C N -1.306 117.989 119.300 -0.008 0.000 2.641 407 C HA 0.533 4.994 4.460 0.001 0.000 0.318 407 C C 1.881 176.868 174.990 -0.006 0.000 1.490 407 C CA -0.180 58.826 59.018 -0.020 0.000 2.260 407 C CB 0.419 28.151 27.740 -0.013 0.000 2.103 407 C HN 0.611 nan 8.230 nan 0.000 0.641 408 S N -0.862 114.831 115.700 -0.011 0.000 2.679 408 S HA 0.463 4.934 4.470 0.001 0.000 0.233 408 S C 1.161 175.765 174.600 0.005 0.000 0.951 408 S CA 0.623 58.824 58.200 0.002 0.000 0.973 408 S CB -0.863 62.332 63.200 -0.007 0.000 0.778 408 S HN 2.205 nan 8.310 nan 0.000 0.477 409 G N 0.510 109.312 108.800 0.003 0.000 2.173 409 G HA2 -0.142 3.819 3.960 0.001 0.000 0.174 409 G HA3 -0.142 3.819 3.960 0.001 0.000 0.174 409 G C 0.624 175.520 174.900 -0.006 0.000 1.025 409 G CA 0.909 46.010 45.100 0.001 0.000 0.706 409 G HN 1.083 nan 8.290 nan 0.000 0.499 410 T N -4.192 110.356 114.554 -0.009 0.000 3.026 410 T HA 0.484 4.834 4.350 0.001 0.000 0.245 410 T C 2.452 177.145 174.700 -0.012 0.000 1.004 410 T CA 1.851 63.944 62.100 -0.011 0.000 1.069 410 T CB 0.541 69.401 68.868 -0.013 0.000 1.005 410 T HN 2.070 nan 8.240 nan 0.000 0.472 411 G N 0.918 109.710 108.800 -0.013 0.000 2.299 411 G HA2 -0.250 3.710 3.960 0.001 0.000 0.237 411 G HA3 -0.250 3.710 3.960 0.001 0.000 0.237 411 G C 0.346 175.236 174.900 -0.015 0.000 1.027 411 G CA 0.318 45.410 45.100 -0.012 0.000 0.619 411 G HN 0.861 nan 8.290 nan 0.000 0.513 412 T N 0.734 115.278 114.554 -0.017 0.000 2.901 412 T HA 0.502 4.852 4.350 0.001 0.000 0.301 412 T C -0.254 174.430 174.700 -0.027 0.000 1.012 412 T CA 0.632 62.720 62.100 -0.020 0.000 1.135 412 T CB 1.016 69.873 68.868 -0.019 0.000 0.936 412 T HN 0.836 nan 8.240 nan 0.000 0.539 413 V N 6.613 126.510 119.914 -0.029 0.000 2.655 413 V HA 0.384 4.505 4.120 0.001 0.000 0.301 413 V C 0.015 176.087 176.094 -0.037 0.000 1.082 413 V CA -1.067 61.211 62.300 -0.037 0.000 0.899 413 V CB 2.033 33.834 31.823 -0.037 0.000 1.014 413 V HN 0.881 nan 8.190 nan 0.000 0.429 414 R N 2.719 123.197 120.500 -0.037 0.000 2.585 414 R HA 0.124 4.464 4.340 0.001 0.000 0.275 414 R C -0.165 176.105 176.300 -0.051 0.000 1.018 414 R CA -0.210 55.867 56.100 -0.038 0.000 1.072 414 R CB 0.250 30.532 30.300 -0.029 0.000 0.953 414 R HN 0.636 nan 8.270 nan 0.000 0.419 415 D N 2.178 122.542 120.400 -0.061 0.000 2.478 415 D HA -0.091 4.549 4.640 0.001 0.000 0.234 415 D C 0.758 176.978 176.300 -0.133 0.000 1.154 415 D CA 0.485 54.431 54.000 -0.090 0.000 0.874 415 D CB 0.441 41.186 40.800 -0.091 0.000 1.198 415 D HN 0.526 nan 8.370 nan 0.000 0.455 416 N N 1.347 119.938 118.700 -0.181 0.000 2.094 416 N HA -0.237 4.503 4.740 0.001 0.000 0.191 416 N C 1.987 177.234 175.510 -0.438 0.000 1.023 416 N CA 1.739 54.626 53.050 -0.271 0.000 0.857 416 N CB -0.082 38.221 38.487 -0.306 0.000 1.013 416 N HN 0.657 nan 8.380 nan 0.000 0.426 417 E N 0.914 120.801 120.200 -0.520 0.000 2.058 417 E HA -0.226 4.124 4.350 0.001 0.000 0.194 417 E C 2.000 178.491 176.600 -0.182 0.000 0.997 417 E CA 1.718 57.820 56.400 -0.497 0.000 0.801 417 E CB -1.052 28.500 29.700 -0.246 0.000 0.746 417 E HN 0.365 nan 8.360 nan 0.000 0.450 418 S N -0.847 114.775 115.700 -0.130 0.000 2.414 418 S HA 0.000 4.471 4.470 0.001 0.000 0.227 418 S C 2.058 176.619 174.600 -0.064 0.000 1.022 418 S CA 1.129 59.289 58.200 -0.066 0.000 0.958 418 S CB -0.186 62.983 63.200 -0.051 0.000 0.797 418 S HN 0.424 nan 8.310 nan 0.000 0.493 419 L N 1.478 122.647 121.223 -0.090 0.000 2.109 419 L HA 0.160 4.500 4.340 0.001 0.000 0.207 419 L C 2.366 179.176 176.870 -0.101 0.000 1.086 419 L CA 1.772 56.568 54.840 -0.074 0.000 0.760 419 L CB -0.955 41.068 42.059 -0.059 0.000 0.910 419 L HN 0.238 nan 8.230 nan 0.000 0.437 420 S N -0.355 115.291 115.700 -0.091 0.000 2.345 420 S HA -0.131 4.340 4.470 0.001 0.000 0.220 420 S C 1.918 176.511 174.600 -0.011 0.000 1.031 420 S CA 1.644 59.832 58.200 -0.020 0.000 0.996 420 S CB -0.479 62.812 63.200 0.152 0.000 0.882 420 S HN 0.421 nan 8.310 nan 0.000 0.445 421 L N 1.214 122.445 121.223 0.014 0.000 2.042 421 L HA -0.141 4.200 4.340 0.001 0.000 0.210 421 L C 2.733 179.589 176.870 -0.024 0.000 1.076 421 L CA 1.279 56.128 54.840 0.015 0.000 0.749 421 L CB -0.634 41.440 42.059 0.025 0.000 0.893 421 L HN 0.335 nan 8.230 nan 0.000 0.432 422 S N 0.496 116.168 115.700 -0.047 0.000 2.351 422 S HA -0.215 4.256 4.470 0.001 0.000 0.220 422 S C 1.987 176.520 174.600 -0.111 0.000 1.035 422 S CA 1.617 59.781 58.200 -0.060 0.000 1.031 422 S CB -0.328 62.842 63.200 -0.050 0.000 0.928 422 S HN 0.335 nan 8.310 nan 0.000 0.433 423 I N 1.072 121.515 120.570 -0.212 0.000 2.335 423 I HA -0.151 4.019 4.170 0.001 0.000 0.251 423 I C 2.345 178.376 176.117 -0.143 0.000 1.129 423 I CA 0.798 61.916 61.300 -0.304 0.000 1.402 423 I CB -0.342 37.386 38.000 -0.453 0.000 1.069 423 I HN 0.332 nan 8.210 nan 0.000 0.424 424 L N 1.308 122.482 121.223 -0.082 0.000 2.093 424 L HA -0.179 4.161 4.340 0.001 0.000 0.208 424 L C 2.933 179.786 176.870 -0.027 0.000 1.085 424 L CA 2.212 57.029 54.840 -0.037 0.000 0.755 424 L CB -0.779 41.275 42.059 -0.009 0.000 0.904 424 L HN 0.165 nan 8.230 nan 0.000 0.435 425 R N -0.503 119.980 120.500 -0.027 0.000 2.115 425 R HA -0.050 4.291 4.340 0.001 0.000 0.226 425 R C 2.004 178.295 176.300 -0.015 0.000 1.100 425 R CA 1.499 57.590 56.100 -0.016 0.000 0.980 425 R CB -1.723 28.571 30.300 -0.011 0.000 0.875 425 R HN 0.477 nan 8.270 nan 0.000 0.445 426 L N 0.515 121.721 121.223 -0.029 0.000 2.017 426 L HA 0.008 4.348 4.340 0.001 0.000 0.208 426 L C 2.367 179.232 176.870 -0.008 0.000 1.073 426 L CA 1.726 56.557 54.840 -0.015 0.000 0.745 426 L CB -0.323 41.718 42.059 -0.030 0.000 0.894 426 L HN 0.421 nan 8.230 nan 0.000 0.432 427 I N -0.266 120.292 120.570 -0.019 0.000 2.127 427 I HA -0.342 3.829 4.170 0.001 0.000 0.241 427 I C 2.564 178.681 176.117 0.001 0.000 1.075 427 I CA 1.911 63.209 61.300 -0.004 0.000 1.334 427 I CB -0.399 37.599 38.000 -0.004 0.000 1.040 427 I HN 0.436 nan 8.210 nan 0.000 0.405 428 E N 1.071 121.270 120.200 -0.002 0.000 2.085 428 E HA -0.273 4.077 4.350 0.001 0.000 0.194 428 E C 2.095 178.696 176.600 0.002 0.000 0.994 428 E CA 1.366 57.767 56.400 0.001 0.000 0.801 428 E CB -0.044 29.655 29.700 -0.001 0.000 0.743 428 E HN 0.387 nan 8.360 nan 0.000 0.453 429 E N -0.156 120.045 120.200 0.002 0.000 2.130 429 E HA -0.217 4.133 4.350 0.001 0.000 0.196 429 E C 1.933 178.536 176.600 0.004 0.000 0.998 429 E CA 1.105 57.508 56.400 0.004 0.000 0.806 429 E CB 0.071 29.775 29.700 0.007 0.000 0.738 429 E HN 0.336 nan 8.360 nan 0.000 0.459 430 E N -0.406 119.796 120.200 0.004 0.000 2.158 430 E HA -0.067 4.283 4.350 0.001 0.000 0.191 430 E C 1.804 178.402 176.600 -0.004 0.000 0.982 430 E CA 0.638 57.038 56.400 0.001 0.000 0.823 430 E CB 0.075 29.776 29.700 0.002 0.000 0.766 430 E HN 0.191 nan 8.360 nan 0.000 0.468 431 A N 0.833 123.652 122.820 -0.001 0.000 2.067 431 A HA 0.002 4.322 4.320 0.001 0.000 0.217 431 A C 2.225 179.808 177.584 -0.001 0.000 1.156 431 A CA 0.389 52.425 52.037 -0.002 0.000 0.683 431 A CB -0.377 18.625 19.000 0.003 0.000 0.808 431 A HN 0.127 nan 8.150 nan 0.000 0.455 432 L N -0.379 120.844 121.223 0.000 0.000 2.156 432 L HA -0.063 4.278 4.340 0.001 0.000 0.208 432 L C 0.685 177.555 176.870 -0.000 0.000 1.095 432 L CA 0.570 55.410 54.840 0.000 0.000 0.770 432 L CB -0.314 41.746 42.059 0.001 0.000 0.914 432 L HN 0.242 nan 8.230 nan 0.000 0.439 433 K N 1.532 121.931 120.400 -0.001 0.000 2.485 433 K HA 0.100 4.420 4.320 0.001 0.000 0.277 433 K C 0.501 177.099 176.600 -0.003 0.000 0.990 433 K CA 0.075 56.361 56.287 -0.002 0.000 0.994 433 K CB 0.228 32.726 32.500 -0.003 0.000 0.906 433 K HN 0.132 nan 8.250 nan 0.000 0.488 434 E N 2.188 122.386 120.200 -0.002 0.000 2.384 434 E HA -0.039 4.311 4.350 0.001 0.000 0.266 434 E C 0.412 177.010 176.600 -0.004 0.000 1.012 434 E CA 0.167 56.566 56.400 -0.002 0.000 0.901 434 E CB 0.097 29.796 29.700 -0.001 0.000 0.967 434 E HN 0.782 nan 8.360 nan 0.000 0.435 435 N N 0.139 118.836 118.700 -0.004 0.000 2.952 435 N HA -0.149 4.592 4.740 0.001 0.000 0.245 435 N C -0.420 175.085 175.510 -0.008 0.000 1.029 435 N CA 1.292 54.339 53.050 -0.005 0.000 0.870 435 N CB -1.650 36.835 38.487 -0.004 0.000 1.121 435 N HN 0.617 nan 8.380 nan 0.000 0.559 436 T N 0.464 115.012 114.554 -0.010 0.000 2.771 436 T HA 0.253 4.604 4.350 0.001 0.000 0.291 436 T C 1.125 175.817 174.700 -0.013 0.000 0.954 436 T CA -0.191 61.899 62.100 -0.016 0.000 1.045 436 T CB 1.844 70.702 68.868 -0.016 0.000 0.917 436 T HN 0.253 nan 8.240 nan 0.000 0.484 437 Q N 2.456 122.245 119.800 -0.019 0.000 2.287 437 Q HA 0.202 4.542 4.340 0.001 0.000 0.201 437 Q C 0.093 176.089 176.000 -0.007 0.000 0.946 437 Q CA 1.122 56.920 55.803 -0.009 0.000 0.868 437 Q CB 0.616 29.351 28.738 -0.005 0.000 0.967 437 Q HN 0.778 nan 8.270 nan 0.000 0.516 438 E N -1.133 119.044 120.200 -0.038 0.000 2.408 438 E HA 0.555 4.905 4.350 0.001 0.000 0.275 438 E C -1.993 174.534 176.600 -0.121 0.000 0.935 438 E CA -0.823 55.552 56.400 -0.042 0.000 0.775 438 E CB 2.917 32.616 29.700 -0.002 0.000 1.277 438 E HN -0.054 nan 8.360 nan 0.000 0.455 439 V N 2.229 122.109 119.914 -0.057 0.000 2.569 439 V HA 0.327 4.447 4.120 0.001 0.000 0.301 439 V C -1.714 174.435 176.094 0.091 0.000 1.044 439 V CA -0.400 61.862 62.300 -0.062 0.000 0.874 439 V CB 1.282 33.100 31.823 -0.010 0.000 1.002 439 V HN 0.704 nan 8.190 nan 0.000 0.424 440 H N 5.757 124.853 119.070 0.043 0.000 2.581 440 H HA 0.688 5.245 4.556 0.001 0.000 0.308 440 H C 0.262 175.626 175.328 0.060 0.000 1.040 440 H CA -0.262 55.821 56.048 0.059 0.000 1.231 440 H CB 1.709 31.525 29.762 0.090 0.000 1.396 440 H HN 0.857 nan 8.280 nan 0.000 0.467 441 A N 4.992 127.921 122.820 0.182 0.000 2.269 441 A HA 0.335 4.655 4.320 0.001 0.000 0.302 441 A C -0.032 177.647 177.584 0.157 0.000 1.266 441 A CA -0.545 51.579 52.037 0.145 0.000 0.894 441 A CB -0.252 18.795 19.000 0.079 0.000 1.147 441 A HN 0.731 nan 8.150 nan 0.000 0.537 442 I N 4.501 125.194 120.570 0.205 0.000 2.307 442 I HA 0.339 4.509 4.170 0.001 0.000 0.287 442 I C -0.112 176.141 176.117 0.226 0.000 1.054 442 I CA -0.424 60.993 61.300 0.195 0.000 1.218 442 I CB 0.987 39.103 38.000 0.194 0.000 1.398 442 I HN 0.491 nan 8.210 nan 0.000 0.475 443 V N 3.996 124.012 119.914 0.171 0.000 2.960 443 V HA 0.715 4.835 4.120 0.001 0.000 0.315 443 V C -2.726 173.451 176.094 0.139 0.000 1.087 443 V CA -2.892 59.510 62.300 0.171 0.000 0.982 443 V CB 1.497 33.387 31.823 0.112 0.000 1.039 443 V HN 0.282 nan 8.190 nan 0.000 0.437 444 P HA 0.136 nan 4.420 nan 0.000 0.268 444 P C 1.103 178.454 177.300 0.084 0.000 1.208 444 P CA 0.110 63.274 63.100 0.107 0.000 0.777 444 P CB 0.666 32.428 31.700 0.102 0.000 0.875 445 V N 4.562 124.519 119.914 0.070 0.000 2.252 445 V HA -0.178 3.942 4.120 0.001 0.000 0.249 445 V C -0.525 175.606 176.094 0.061 0.000 1.056 445 V CA 2.570 64.906 62.300 0.060 0.000 1.022 445 V CB -2.165 29.687 31.823 0.047 0.000 0.641 445 V HN 0.735 nan 8.190 nan 0.000 0.445 446 P HA -0.117 nan 4.420 nan 0.000 0.220 446 P C 1.692 179.045 177.300 0.087 0.000 1.148 446 P CA 1.388 64.526 63.100 0.063 0.000 0.803 446 P CB -0.075 31.650 31.700 0.041 0.000 0.782 447 I N 0.116 120.731 120.570 0.076 0.000 2.333 447 I HA -0.089 4.081 4.170 0.001 0.000 0.246 447 I C 2.506 178.688 176.117 0.107 0.000 1.106 447 I CA 1.133 62.485 61.300 0.086 0.000 1.411 447 I CB -1.935 36.099 38.000 0.057 0.000 1.082 447 I HN -0.079 nan 8.210 nan 0.000 0.420 448 A N 0.370 123.242 122.820 0.086 0.000 1.902 448 A HA -0.223 4.098 4.320 0.001 0.000 0.217 448 A C 2.640 180.267 177.584 0.073 0.000 1.181 448 A CA 2.232 54.313 52.037 0.074 0.000 0.623 448 A CB -0.829 18.212 19.000 0.067 0.000 0.818 448 A HN 0.408 nan 8.150 nan 0.000 0.443 449 S N -2.155 113.594 115.700 0.082 0.000 2.368 449 S HA -0.187 4.283 4.470 0.001 0.000 0.225 449 S C 1.894 176.548 174.600 0.090 0.000 1.030 449 S CA 1.585 59.828 58.200 0.072 0.000 0.999 449 S CB -0.510 62.733 63.200 0.072 0.000 0.844 449 S HN 0.647 nan 8.310 nan 0.000 0.459 450 Y N 1.541 121.843 120.300 0.004 0.000 2.242 450 Y HA 0.066 4.617 4.550 0.001 0.000 0.291 450 Y C 1.942 177.839 175.900 -0.004 0.000 1.137 450 Y CA 1.504 59.603 58.100 -0.001 0.000 1.181 450 Y CB -0.218 38.240 38.460 -0.003 0.000 0.989 450 Y HN 0.234 nan 8.280 nan 0.000 0.527 451 L N -0.651 120.640 121.223 0.113 0.000 2.056 451 L HA -0.189 4.152 4.340 0.001 0.000 0.207 451 L C 1.787 178.637 176.870 -0.034 0.000 1.078 451 L CA 1.119 55.981 54.840 0.036 0.000 0.749 451 L CB -0.321 41.775 42.059 0.061 0.000 0.901 451 L HN 0.245 nan 8.230 nan 0.000 0.433 452 L N -0.879 120.333 121.223 -0.018 0.000 2.607 452 L HA 0.084 4.424 4.340 0.001 0.000 0.228 452 L C 1.418 178.260 176.870 -0.046 0.000 1.123 452 L CA -0.126 54.700 54.840 -0.022 0.000 0.890 452 L CB -0.159 41.903 42.059 0.004 0.000 1.103 452 L HN 0.303 nan 8.230 nan 0.000 0.468 453 N N -0.490 118.158 118.700 -0.087 0.000 3.170 453 N HA -0.000 4.740 4.740 0.001 0.000 0.235 453 N C 1.380 176.788 175.510 -0.169 0.000 1.037 453 N CA 0.257 53.246 53.050 -0.102 0.000 1.160 453 N CB 0.140 38.581 38.487 -0.076 0.000 1.606 453 N HN -0.006 nan 8.380 nan 0.000 0.580 454 E N 1.366 121.383 120.200 -0.304 0.000 2.118 454 E HA -0.092 4.258 4.350 0.001 0.000 0.195 454 E C 1.500 177.889 176.600 -0.351 0.000 0.992 454 E CA 1.786 57.934 56.400 -0.421 0.000 0.804 454 E CB -0.073 29.103 29.700 -0.874 0.000 0.741 454 E HN 0.407 nan 8.360 nan 0.000 0.458 455 K N 0.626 120.832 120.400 -0.323 0.000 2.455 455 K HA 0.249 4.569 4.320 0.001 0.000 0.206 455 K C 1.361 177.903 176.600 -0.098 0.000 1.027 455 K CA 0.135 56.315 56.287 -0.178 0.000 1.113 455 K CB -0.212 32.212 32.500 -0.127 0.000 0.850 455 K HN 0.010 nan 8.250 nan 0.000 0.503 456 R N 0.175 120.617 120.500 -0.096 0.000 2.105 456 R HA -0.117 4.223 4.340 0.001 0.000 0.239 456 R C 1.940 178.217 176.300 -0.039 0.000 1.135 456 R CA 2.007 58.075 56.100 -0.055 0.000 0.967 456 R CB -0.273 29.997 30.300 -0.050 0.000 0.861 456 R HN 0.415 nan 8.270 nan 0.000 0.442 457 S N -0.009 115.664 115.700 -0.044 0.000 2.365 457 S HA -0.191 4.279 4.470 0.001 0.000 0.225 457 S C 1.862 176.448 174.600 -0.023 0.000 1.039 457 S CA 1.488 59.669 58.200 -0.031 0.000 1.033 457 S CB -0.196 62.985 63.200 -0.033 0.000 0.887 457 S HN 0.602 nan 8.310 nan 0.000 0.447 458 A N 0.538 123.343 122.820 -0.026 0.000 1.929 458 A HA 0.022 4.342 4.320 0.001 0.000 0.216 458 A C 2.271 179.849 177.584 -0.011 0.000 1.176 458 A CA 1.202 53.229 52.037 -0.016 0.000 0.628 458 A CB -0.663 18.328 19.000 -0.015 0.000 0.816 458 A HN 0.362 nan 8.150 nan 0.000 0.444 459 V N 1.164 121.070 119.914 -0.013 0.000 2.343 459 V HA -0.263 3.858 4.120 0.001 0.000 0.247 459 V C 2.251 178.344 176.094 -0.001 0.000 1.051 459 V CA 2.070 64.367 62.300 -0.005 0.000 1.036 459 V CB -0.946 30.874 31.823 -0.004 0.000 0.654 459 V HN 0.545 nan 8.190 nan 0.000 0.451 460 N N 0.576 119.273 118.700 -0.005 0.000 2.166 460 N HA -0.107 4.634 4.740 0.001 0.000 0.186 460 N C 1.894 177.404 175.510 -0.001 0.000 1.019 460 N CA 1.621 54.669 53.050 -0.003 0.000 0.856 460 N CB -0.376 38.107 38.487 -0.006 0.000 0.993 460 N HN 0.507 nan 8.380 nan 0.000 0.426 461 A N 0.889 123.707 122.820 -0.004 0.000 1.969 461 A HA -0.035 4.285 4.320 0.001 0.000 0.218 461 A C 2.278 179.861 177.584 -0.000 0.000 1.169 461 A CA 0.767 52.803 52.037 -0.003 0.000 0.635 461 A CB -0.460 18.537 19.000 -0.004 0.000 0.810 461 A HN 0.205 nan 8.150 nan 0.000 0.445 462 I N -0.410 120.160 120.570 0.001 0.000 2.286 462 I HA -0.119 4.051 4.170 0.001 0.000 0.245 462 I C 3.008 179.128 176.117 0.006 0.000 1.104 462 I CA 1.298 62.600 61.300 0.003 0.000 1.397 462 I CB -0.493 37.509 38.000 0.004 0.000 1.072 462 I HN 0.476 nan 8.210 nan 0.000 0.417 463 E N 0.107 120.312 120.200 0.007 0.000 2.150 463 E HA -0.250 4.101 4.350 0.001 0.000 0.193 463 E C 2.241 178.845 176.600 0.007 0.000 0.985 463 E CA 1.803 58.209 56.400 0.010 0.000 0.814 463 E CB -1.119 28.589 29.700 0.012 0.000 0.752 463 E HN 0.494 nan 8.360 nan 0.000 0.466 464 T N -1.409 113.148 114.554 0.005 0.000 3.009 464 T HA -0.005 4.345 4.350 0.001 0.000 0.258 464 T C 2.170 176.872 174.700 0.003 0.000 1.063 464 T CA 1.000 63.102 62.100 0.004 0.000 1.139 464 T CB -0.148 68.721 68.868 0.002 0.000 0.890 464 T HN 0.389 nan 8.240 nan 0.000 0.471 465 R N 0.144 120.646 120.500 0.003 0.000 2.119 465 R HA 0.145 4.486 4.340 0.001 0.000 0.222 465 R C 0.577 176.879 176.300 0.003 0.000 1.088 465 R CA 0.650 56.751 56.100 0.002 0.000 0.984 465 R CB 0.151 30.452 30.300 0.002 0.000 0.884 465 R HN 0.336 nan 8.270 nan 0.000 0.447 466 Q N 1.708 121.511 119.800 0.004 0.000 3.006 466 Q HA 0.065 4.406 4.340 0.001 0.000 0.260 466 Q C -1.082 174.921 176.000 0.005 0.000 1.356 466 Q CA -0.095 55.711 55.803 0.004 0.000 1.070 466 Q CB 0.267 29.008 28.738 0.005 0.000 1.507 466 Q HN 0.048 nan 8.270 nan 0.000 0.568 467 D N 0.590 120.993 120.400 0.005 0.000 2.455 467 D HA 0.129 4.769 4.640 0.001 0.000 0.265 467 D C 1.168 177.472 176.300 0.006 0.000 1.284 467 D CA 1.601 55.604 54.000 0.005 0.000 0.944 467 D CB -0.014 40.788 40.800 0.004 0.000 1.121 467 D HN 0.685 nan 8.370 nan 0.000 0.525 468 G N 2.253 111.058 108.800 0.008 0.000 2.184 468 G HA2 -0.193 3.767 3.960 0.001 0.000 0.206 468 G HA3 -0.193 3.767 3.960 0.001 0.000 0.206 468 G C 0.114 175.021 174.900 0.012 0.000 0.995 468 G CA 0.018 45.124 45.100 0.010 0.000 0.651 468 G HN 0.576 nan 8.290 nan 0.000 0.511 469 V N 2.706 122.627 119.914 0.012 0.000 2.383 469 V HA 0.499 4.620 4.120 0.001 0.000 0.275 469 V C 0.713 176.821 176.094 0.024 0.000 1.036 469 V CA -0.804 61.505 62.300 0.014 0.000 0.889 469 V CB 1.388 33.215 31.823 0.008 0.000 0.985 469 V HN 0.277 nan 8.190 nan 0.000 0.459 470 R N 2.888 123.409 120.500 0.036 0.000 2.216 470 R HA 0.309 4.650 4.340 0.001 0.000 0.332 470 R C -0.803 175.543 176.300 0.076 0.000 1.056 470 R CA -0.307 55.827 56.100 0.056 0.000 0.901 470 R CB 0.961 31.305 30.300 0.074 0.000 1.039 470 R HN 0.686 nan 8.270 nan 0.000 0.456 471 C N 4.219 123.558 119.300 0.065 0.000 2.349 471 C HA 0.255 4.716 4.460 0.001 0.000 0.348 471 C C 0.630 175.676 174.990 0.093 0.000 1.223 471 C CA -0.731 58.333 59.018 0.076 0.000 1.746 471 C CB -0.158 27.610 27.740 0.046 0.000 2.360 471 C HN 0.415 nan 8.230 nan 0.000 0.533 472 V N 6.323 126.326 119.914 0.149 0.000 2.313 472 V HA 0.343 4.464 4.120 0.001 0.000 0.278 472 V C 0.063 176.212 176.094 0.091 0.000 1.017 472 V CA -0.074 62.289 62.300 0.105 0.000 0.823 472 V CB 0.802 32.664 31.823 0.065 0.000 1.010 472 V HN 0.711 nan 8.190 nan 0.000 0.443 473 I N 5.425 126.033 120.570 0.063 0.000 2.337 473 I HA 0.321 4.491 4.170 0.001 0.000 0.285 473 I C -0.245 175.908 176.117 0.059 0.000 1.041 473 I CA -0.410 60.928 61.300 0.063 0.000 1.199 473 I CB 1.532 39.562 38.000 0.050 0.000 1.370 473 I HN 0.283 nan 8.210 nan 0.000 0.470 474 V N 9.398 129.352 119.914 0.067 0.000 2.383 474 V HA 0.321 4.441 4.120 0.001 0.000 0.275 474 V C -1.869 174.275 176.094 0.083 0.000 1.036 474 V CA -1.754 60.588 62.300 0.069 0.000 0.889 474 V CB 1.765 33.621 31.823 0.056 0.000 0.985 474 V HN 0.503 nan 8.190 nan 0.000 0.459 475 P HA 0.128 nan 4.420 nan 0.000 0.271 475 P C -0.927 176.422 177.300 0.081 0.000 1.226 475 P CA -0.145 63.000 63.100 0.076 0.000 0.765 475 P CB 0.585 32.321 31.700 0.060 0.000 0.835 476 N N 3.026 121.777 118.700 0.085 0.000 2.573 476 N HA 0.079 4.820 4.740 0.001 0.000 0.262 476 N C 0.231 175.785 175.510 0.073 0.000 1.029 476 N CA -0.563 52.538 53.050 0.084 0.000 0.882 476 N CB 0.525 39.071 38.487 0.099 0.000 1.204 476 N HN 0.200 nan 8.380 nan 0.000 0.519 477 D N 1.762 122.197 120.400 0.058 0.000 2.352 477 D HA -0.054 4.586 4.640 0.001 0.000 0.232 477 D C 0.554 176.882 176.300 0.046 0.000 1.055 477 D CA 0.629 54.658 54.000 0.048 0.000 0.891 477 D CB 0.326 41.147 40.800 0.035 0.000 0.897 477 D HN 0.360 nan 8.370 nan 0.000 0.529 478 Q N -0.458 119.373 119.800 0.051 0.000 2.424 478 Q HA 0.237 4.577 4.340 0.001 0.000 0.204 478 Q C 0.544 176.572 176.000 0.048 0.000 0.933 478 Q CA 0.353 56.181 55.803 0.043 0.000 0.929 478 Q CB 0.335 29.096 28.738 0.039 0.000 1.037 478 Q HN 0.457 nan 8.270 nan 0.000 0.511 479 M N 0.791 120.433 119.600 0.070 0.000 2.537 479 M HA 0.246 4.727 4.480 0.001 0.000 0.324 479 M C 0.232 176.596 176.300 0.106 0.000 1.187 479 M CA -0.422 54.934 55.300 0.093 0.000 0.993 479 M CB 1.883 34.561 32.600 0.130 0.000 1.666 479 M HN -0.055 nan 8.290 nan 0.000 0.461 480 E N -0.550 119.738 120.200 0.147 0.000 2.396 480 E HA 0.354 4.704 4.350 0.001 0.000 0.251 480 E C 0.056 176.740 176.600 0.140 0.000 0.949 480 E CA -0.711 55.768 56.400 0.131 0.000 0.834 480 E CB 1.039 30.802 29.700 0.106 0.000 1.309 480 E HN 0.621 nan 8.360 nan 0.000 0.405 481 T N -0.704 113.890 114.554 0.068 0.000 2.985 481 T HA 0.055 4.406 4.350 0.001 0.000 0.266 481 T C -0.901 173.796 174.700 -0.005 0.000 1.076 481 T CA 0.720 62.843 62.100 0.038 0.000 1.135 481 T CB -0.872 68.005 68.868 0.016 0.000 0.890 481 T HN 0.321 nan 8.240 nan 0.000 0.480 482 P HA -0.029 nan 4.420 nan 0.000 0.219 482 P C 0.271 177.404 177.300 -0.278 0.000 1.150 482 P CA 0.956 63.914 63.100 -0.236 0.000 0.814 482 P CB -0.198 31.254 31.700 -0.412 0.000 0.787 483 H N -0.028 119.036 119.070 -0.010 0.000 2.551 483 H HA 0.340 4.897 4.556 0.001 0.000 0.358 483 H C 0.321 175.641 175.328 -0.013 0.000 1.151 483 H CA 0.311 56.291 56.048 -0.115 0.000 1.374 483 H CB 0.517 30.235 29.762 -0.072 0.000 1.473 483 H HN 0.188 nan 8.280 nan 0.000 0.574 484 Y N -1.727 118.599 120.300 0.044 0.000 2.925 484 Y HA 0.481 5.031 4.550 0.000 0.000 0.349 484 Y C -1.684 174.145 175.900 -0.118 0.000 1.342 484 Y CA -1.140 56.975 58.100 0.026 0.000 1.093 484 Y CB 1.202 39.675 38.460 0.023 0.000 1.571 484 Y HN 0.640 nan 8.280 nan 0.000 0.438 485 H N -0.631 118.675 119.070 0.393 0.000 3.029 485 H HA 0.742 5.299 4.556 0.001 0.000 0.358 485 H C -1.888 173.596 175.328 0.260 0.000 1.129 485 H CA -0.890 55.302 56.048 0.240 0.000 1.230 485 H CB 2.463 32.284 29.762 0.098 0.000 1.827 485 H HN 0.672 nan 8.280 nan 0.000 0.530 486 V N 4.898 125.020 119.914 0.346 0.000 2.380 486 V HA 0.305 4.426 4.120 0.001 0.000 0.286 486 V C -0.914 175.251 176.094 0.117 0.000 1.015 486 V CA -0.500 61.919 62.300 0.199 0.000 0.834 486 V CB 1.002 32.915 31.823 0.149 0.000 1.009 486 V HN 0.421 nan 8.190 nan 0.000 0.428 487 L N 4.721 125.971 121.223 0.045 0.000 2.334 487 L HA 0.646 4.986 4.340 0.001 0.000 0.276 487 L C 0.125 176.929 176.870 -0.109 0.000 1.014 487 L CA -0.252 54.548 54.840 -0.066 0.000 0.815 487 L CB 1.771 43.690 42.059 -0.234 0.000 1.268 487 L HN 0.558 nan 8.230 nan 0.000 0.428 488 R N 1.973 122.412 120.500 -0.101 0.000 2.346 488 R HA 0.711 5.052 4.340 0.001 0.000 0.311 488 R C -1.626 174.598 176.300 -0.127 0.000 0.983 488 R CA -0.549 55.488 56.100 -0.104 0.000 0.880 488 R CB 1.326 31.596 30.300 -0.051 0.000 1.100 488 R HN 0.447 nan 8.270 nan 0.000 0.453 489 V N 5.854 125.670 119.914 -0.163 0.000 2.313 489 V HA 0.372 4.492 4.120 0.001 0.000 0.278 489 V C 0.359 176.413 176.094 -0.066 0.000 1.017 489 V CA -0.773 61.451 62.300 -0.128 0.000 0.823 489 V CB 1.121 32.819 31.823 -0.207 0.000 1.010 489 V HN 0.817 nan 8.190 nan 0.000 0.443 490 R N 2.693 123.171 120.500 -0.036 0.000 2.774 490 R HA 0.264 4.604 4.340 0.001 0.000 0.269 490 R C 0.173 176.466 176.300 -0.013 0.000 1.068 490 R CA -0.450 55.637 56.100 -0.021 0.000 1.180 490 R CB 0.717 31.010 30.300 -0.012 0.000 1.077 490 R HN 0.556 nan 8.270 nan 0.000 0.513 491 K N 0.948 121.344 120.400 -0.008 0.000 2.419 491 K HA 0.006 4.327 4.320 0.001 0.000 0.282 491 K C 0.799 177.398 176.600 -0.000 0.000 1.056 491 K CA 0.961 57.247 56.287 -0.003 0.000 1.035 491 K CB 0.568 33.067 32.500 -0.002 0.000 0.921 491 K HN 0.911 nan 8.250 nan 0.000 0.472 492 G N 2.870 111.672 108.800 0.002 0.000 2.307 492 G HA2 -0.271 3.690 3.960 0.001 0.000 0.210 492 G HA3 -0.271 3.690 3.960 0.001 0.000 0.210 492 G C 0.462 175.365 174.900 0.005 0.000 1.005 492 G CA 0.145 45.247 45.100 0.003 0.000 0.634 492 G HN 0.728 nan 8.290 nan 0.000 0.496 493 E N 1.353 121.557 120.200 0.006 0.000 2.444 493 E HA 0.279 4.629 4.350 0.001 0.000 0.191 493 E C 0.571 177.182 176.600 0.018 0.000 1.041 493 E CA 0.047 56.453 56.400 0.010 0.000 0.883 493 E CB 0.040 29.746 29.700 0.010 0.000 1.024 493 E HN 0.637 nan 8.360 nan 0.000 0.470 494 E N 2.019 122.231 120.200 0.020 0.000 2.354 494 E HA 0.098 4.448 4.350 0.001 0.000 0.269 494 E C -0.092 176.523 176.600 0.025 0.000 1.036 494 E CA -0.247 56.175 56.400 0.038 0.000 0.876 494 E CB 1.151 30.878 29.700 0.045 0.000 1.009 494 E HN 0.094 nan 8.360 nan 0.000 0.416 495 T N -1.139 113.430 114.554 0.025 0.000 2.950 495 T HA 0.449 4.800 4.350 0.001 0.000 0.288 495 T C -1.829 172.863 174.700 -0.013 0.000 1.035 495 T CA -1.792 60.304 62.100 -0.006 0.000 1.028 495 T CB 1.450 70.298 68.868 -0.034 0.000 1.109 495 T HN 0.399 nan 8.240 nan 0.000 0.514 496 P HA 0.198 nan 4.420 nan 0.000 0.249 496 P C -0.189 177.070 177.300 -0.068 0.000 1.593 496 P CA -0.327 62.752 63.100 -0.036 0.000 0.896 496 P CB -0.753 30.929 31.700 -0.029 0.000 1.581 497 T N 1.215 115.715 114.554 -0.091 0.000 2.930 497 T HA 0.169 4.519 4.350 0.001 0.000 0.306 497 T C 0.748 175.333 174.700 -0.191 0.000 1.045 497 T CA -0.107 61.904 62.100 -0.149 0.000 1.134 497 T CB 0.610 69.373 68.868 -0.175 0.000 0.961 497 T HN 0.034 nan 8.240 nan 0.000 0.545 498 L N 2.850 123.908 121.223 -0.274 0.000 2.456 498 L HA 0.071 4.411 4.340 0.001 0.000 0.272 498 L C 2.158 178.787 176.870 -0.402 0.000 1.189 498 L CA -0.346 54.269 54.840 -0.376 0.000 0.846 498 L CB 0.526 42.195 42.059 -0.650 0.000 1.111 498 L HN 0.936 nan 8.230 nan 0.000 0.475 499 S N 2.403 117.957 115.700 -0.244 0.000 2.380 499 S HA -0.307 4.163 4.470 0.001 0.000 0.229 499 S C 1.585 176.118 174.600 -0.111 0.000 1.043 499 S CA 1.975 60.087 58.200 -0.145 0.000 1.038 499 S CB -0.824 62.366 63.200 -0.017 0.000 0.872 499 S HN 0.728 nan 8.310 nan 0.000 0.456 500 Y N -0.909 119.366 120.300 -0.041 0.000 2.529 500 Y HA 0.495 5.044 4.550 -0.002 0.000 0.290 500 Y C 1.877 177.761 175.900 -0.026 0.000 1.177 500 Y CA -0.101 57.984 58.100 -0.025 0.000 1.305 500 Y CB -0.234 38.218 38.460 -0.014 0.000 1.047 500 Y HN 0.139 nan 8.280 nan 0.000 0.522 501 M N 0.071 119.452 119.600 -0.365 0.000 2.337 501 M HA 0.213 4.694 4.480 0.001 0.000 0.256 501 M C 1.445 177.645 176.300 -0.168 0.000 1.075 501 M CA 0.172 55.326 55.300 -0.244 0.000 1.024 501 M CB -0.238 32.148 32.600 -0.357 0.000 1.429 501 M HN 0.478 nan 8.290 nan 0.000 0.497 502 L N 0.503 121.625 121.223 -0.169 0.000 2.079 502 L HA -0.169 4.172 4.340 0.001 0.000 0.210 502 L C -0.509 176.352 176.870 -0.014 0.000 1.081 502 L CA 1.504 56.260 54.840 -0.140 0.000 0.752 502 L CB -2.030 39.946 42.059 -0.139 0.000 0.896 502 L HN 0.153 nan 8.230 nan 0.000 0.433 503 P HA -0.218 nan 4.420 nan 0.000 0.217 503 P C 1.703 179.026 177.300 0.039 0.000 1.148 503 P CA 1.284 64.421 63.100 0.062 0.000 0.828 503 P CB 0.022 31.758 31.700 0.059 0.000 0.783 504 K N -0.613 119.786 120.400 -0.002 0.000 2.243 504 K HA 0.035 4.356 4.320 0.001 0.000 0.201 504 K C 1.924 178.502 176.600 -0.037 0.000 1.051 504 K CA 0.409 56.688 56.287 -0.013 0.000 0.970 504 K CB -1.293 31.196 32.500 -0.018 0.000 0.755 504 K HN 0.047 nan 8.250 nan 0.000 0.465 505 L N 0.353 121.517 121.223 -0.098 0.000 2.291 505 L HA 0.129 4.470 4.340 0.001 0.000 0.214 505 L C 1.542 178.336 176.870 -0.128 0.000 1.120 505 L CA 1.906 56.644 54.840 -0.170 0.000 0.799 505 L CB -0.328 41.541 42.059 -0.317 0.000 0.925 505 L HN 0.376 nan 8.230 nan 0.000 0.446 506 H N -1.421 117.632 119.070 -0.028 0.000 2.542 506 H HA 0.136 4.693 4.556 0.002 0.000 0.283 506 H C 1.796 177.083 175.328 -0.068 0.000 1.059 506 H CA 0.691 56.715 56.048 -0.040 0.000 1.162 506 H CB 0.214 29.954 29.762 -0.036 0.000 1.539 506 H HN 0.385 nan 8.280 nan 0.000 0.543 507 E N 1.264 121.498 120.200 0.057 0.000 2.033 507 E HA -0.241 4.109 4.350 0.001 0.000 0.199 507 E C 2.323 178.921 176.600 -0.002 0.000 1.011 507 E CA 1.768 58.174 56.400 0.011 0.000 0.815 507 E CB -0.099 29.604 29.700 0.005 0.000 0.755 507 E HN 0.840 nan 8.360 nan 0.000 0.451 508 E N -0.514 119.692 120.200 0.009 0.000 2.268 508 E HA 0.162 4.513 4.350 0.001 0.000 0.195 508 E C 1.932 178.531 176.600 -0.001 0.000 0.995 508 E CA 1.427 57.829 56.400 0.003 0.000 0.836 508 E CB -0.651 29.054 29.700 0.008 0.000 0.763 508 E HN 0.645 nan 8.360 nan 0.000 0.491 509 A N -0.102 122.718 122.820 0.000 0.000 2.220 509 A HA 0.392 4.712 4.320 0.001 0.000 0.211 509 A C 2.135 179.666 177.584 -0.089 0.000 1.176 509 A CA 0.979 53.005 52.037 -0.020 0.000 0.834 509 A CB -0.130 18.876 19.000 0.010 0.000 0.868 509 A HN 0.607 nan 8.150 nan 0.000 0.488 510 M N -1.529 117.984 119.600 -0.145 0.000 2.475 510 M HA 0.625 5.106 4.480 0.001 0.000 0.283 510 M C 0.306 176.541 176.300 -0.108 0.000 1.165 510 M CA -0.034 55.068 55.300 -0.329 0.000 0.976 510 M CB 0.290 32.443 32.600 -0.745 0.000 1.428 510 M HN 0.142 nan 8.290 nan 0.000 0.495 511 A N 1.549 124.351 122.820 -0.029 0.000 2.269 511 A HA 0.833 5.153 4.320 0.001 0.000 0.319 511 A C -0.653 176.945 177.584 0.024 0.000 1.110 511 A CA -0.753 51.289 52.037 0.007 0.000 0.847 511 A CB 0.830 19.827 19.000 -0.005 0.000 1.161 511 A HN 0.575 nan 8.150 nan 0.000 0.497 512 L N 0.397 121.629 121.223 0.015 0.000 2.334 512 L HA 0.392 4.732 4.340 0.001 0.000 0.276 512 L C -1.799 175.072 176.870 0.001 0.000 1.014 512 L CA -1.811 53.037 54.840 0.012 0.000 0.815 512 L CB 2.179 44.239 42.059 0.001 0.000 1.268 512 L HN 0.483 nan 8.230 nan 0.000 0.428 513 P HA -0.052 nan 4.420 nan 0.000 0.230 513 P C 1.279 178.575 177.300 -0.007 0.000 1.158 513 P CA 0.971 64.070 63.100 -0.002 0.000 0.769 513 P CB 0.360 32.059 31.700 -0.001 0.000 0.807 514 S N -1.035 114.660 115.700 -0.009 0.000 2.406 514 S HA -0.044 4.426 4.470 0.001 0.000 0.228 514 S C 0.694 175.283 174.600 -0.018 0.000 1.020 514 S CA 0.881 59.073 58.200 -0.013 0.000 0.965 514 S CB -0.302 62.890 63.200 -0.013 0.000 0.798 514 S HN 0.137 nan 8.310 nan 0.000 0.488 515 E N 0.000 120.189 120.200 -0.018 0.000 2.725 515 E HA 0.000 4.350 4.350 0.001 0.000 0.291 515 E CA 0.000 56.388 56.400 -0.021 0.000 0.976 515 E CB 0.000 29.686 29.700 -0.023 0.000 0.812 515 E HN 0.000 nan 8.360 nan 0.000 0.440