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 2pp3_1_C DATA FIRST_RESID 4 DATA SEQUENCE SANSDAVTYA KAANTRTAAE TGDRIEWVKL SLAFLPLATP VSDAKVLTGR DATA SEQUENCE QKPLTEVAII IAEIRSRDGF EGVGFSYSKR AGGQGIYAHA KEIADNLLGE DATA SEQUENCE DPNDIDKIYT KLLWAGASVG RSGMAVQAIS PIDIALWDMK AKRAGLPLAK DATA SEQUENCE LLGAHRDSVQ CYNTSGGFLH TPLDQVLKNV VISRENGIGG IKLAVGQPNC DATA SEQUENCE AEDIRRLTAV REALGDEFPL MVDANQQWDR ETAIRMGRKM EQFNLIWIEE DATA SEQUENCE PLDAYDIEGH AQLAAALDTP IATGEMLTSF REHEQLILGN ASDFVQPDAP DATA SEQUENCE RVGGISPFLK IMDLAAKHGR KLAPHFAMEV HLHLSAAYPL EPWLEHFEWL DATA SEQUENCE NPLFNEQLEL RDGRMWISDR HGLGFTLSEQ ARRWTQLTCE FGKRP 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 4 S HA 0.000 nan 4.470 nan 0.000 0.327 4 S C 0.000 174.590 174.600 -0.017 0.000 1.055 4 S CA 0.000 58.192 58.200 -0.013 0.000 1.107 4 S CB 0.000 63.192 63.200 -0.013 0.000 0.593 5 A N 3.354 126.162 122.820 -0.020 0.000 2.238 5 A HA 0.342 4.662 4.320 0.000 0.000 0.210 5 A C 0.712 178.275 177.584 -0.035 0.000 1.179 5 A CA 0.794 52.816 52.037 -0.026 0.000 0.827 5 A CB -0.418 18.567 19.000 -0.024 0.000 0.856 5 A HN 1.019 nan 8.150 nan 0.000 0.488 6 N N -0.993 117.688 118.700 -0.032 0.000 3.204 6 N HA 0.566 5.306 4.740 0.000 0.000 0.285 6 N C -0.778 174.714 175.510 -0.030 0.000 1.536 6 N CA 0.375 53.403 53.050 -0.038 0.000 0.832 6 N CB 0.994 39.460 38.487 -0.037 0.000 1.645 6 N HN 0.313 nan 8.380 nan 0.000 0.586 7 S N -1.799 113.883 115.700 -0.031 0.000 2.703 7 S HA 0.329 4.800 4.470 0.000 0.000 0.273 7 S C -0.473 174.116 174.600 -0.019 0.000 1.178 7 S CA -0.477 57.710 58.200 -0.022 0.000 0.838 7 S CB 0.936 64.124 63.200 -0.020 0.000 1.178 7 S HN 0.367 nan 8.310 nan 0.000 0.494 8 D N 1.183 121.575 120.400 -0.013 0.000 2.178 8 D HA 0.314 4.954 4.640 0.000 0.000 0.201 8 D C 0.801 177.096 176.300 -0.008 0.000 0.980 8 D CA 1.943 55.937 54.000 -0.009 0.000 0.842 8 D CB -0.179 40.618 40.800 -0.005 0.000 0.948 8 D HN 0.839 nan 8.370 nan 0.000 0.472 9 A N -0.395 122.420 122.820 -0.009 0.000 2.354 9 A HA 0.574 4.895 4.320 0.000 0.000 0.321 9 A C -0.603 176.969 177.584 -0.020 0.000 1.125 9 A CA -0.648 51.386 52.037 -0.005 0.000 0.799 9 A CB 1.619 20.623 19.000 0.006 0.000 1.293 9 A HN -0.019 nan 8.150 nan 0.000 0.452 10 V N 1.367 121.270 119.914 -0.019 0.000 2.811 10 V HA 0.588 4.708 4.120 0.000 0.000 0.302 10 V C 0.353 176.403 176.094 -0.074 0.000 1.063 10 V CA 1.012 63.268 62.300 -0.073 0.000 1.088 10 V CB 1.253 33.039 31.823 -0.061 0.000 0.982 10 V HN 1.340 nan 8.190 nan 0.000 0.485 11 T N 3.685 118.130 114.554 -0.183 0.000 2.893 11 T HA 0.635 4.985 4.350 0.000 0.000 0.293 11 T C -1.215 173.313 174.700 -0.286 0.000 1.027 11 T CA -0.545 61.487 62.100 -0.114 0.000 0.988 11 T CB 1.372 70.205 68.868 -0.058 0.000 1.043 11 T HN 0.501 nan 8.240 nan 0.000 0.461 12 Y N 0.895 121.195 120.300 -0.000 0.000 2.393 12 Y HA 0.688 5.238 4.550 0.000 0.000 0.341 12 Y C 0.766 176.666 175.900 -0.001 0.000 0.988 12 Y CA -0.797 57.302 58.100 -0.001 0.000 1.078 12 Y CB 1.885 40.345 38.460 -0.001 0.000 1.203 12 Y HN 1.140 nan 8.280 nan 0.000 0.453 13 A N 2.976 125.872 122.820 0.127 0.000 2.250 13 A HA 0.701 5.021 4.320 0.000 0.000 0.283 13 A C -0.584 177.049 177.584 0.082 0.000 1.206 13 A CA -0.484 51.599 52.037 0.075 0.000 0.840 13 A CB 0.542 19.567 19.000 0.042 0.000 1.220 13 A HN 0.549 nan 8.150 nan 0.000 0.505 14 K N -0.657 119.773 120.400 0.050 0.000 2.507 14 K HA 0.614 4.934 4.320 0.000 0.000 0.251 14 K C -0.776 175.840 176.600 0.027 0.000 0.943 14 K CA -0.214 56.096 56.287 0.038 0.000 0.794 14 K CB 1.780 34.298 32.500 0.030 0.000 1.188 14 K HN 0.880 nan 8.250 nan 0.000 0.428 15 A N 1.606 124.440 122.820 0.024 0.000 2.279 15 A HA 0.731 5.051 4.320 0.000 0.000 0.303 15 A C 0.604 178.196 177.584 0.013 0.000 1.108 15 A CA 0.329 52.377 52.037 0.017 0.000 0.830 15 A CB 1.055 20.065 19.000 0.017 0.000 1.106 15 A HN 0.753 nan 8.150 nan 0.000 0.493 16 A N 0.923 123.749 122.820 0.010 0.000 1.963 16 A HA 0.167 4.487 4.320 0.000 0.000 0.211 16 A C 1.121 178.709 177.584 0.007 0.000 1.380 16 A CA 0.353 52.395 52.037 0.008 0.000 0.690 16 A CB -0.468 18.537 19.000 0.007 0.000 1.060 16 A HN 0.762 nan 8.150 nan 0.000 0.498 17 N N 1.935 120.639 118.700 0.007 0.000 2.394 17 N HA -0.001 4.739 4.740 0.000 0.000 0.288 17 N C -0.115 175.398 175.510 0.006 0.000 1.272 17 N CA 0.649 53.703 53.050 0.006 0.000 1.004 17 N CB 0.304 38.794 38.487 0.006 0.000 1.393 17 N HN 0.295 nan 8.380 nan 0.000 0.488 18 T N 2.648 117.205 114.554 0.005 0.000 3.169 18 T HA 0.097 4.447 4.350 0.000 0.000 0.250 18 T C 0.734 175.436 174.700 0.003 0.000 1.111 18 T CA -0.007 62.096 62.100 0.004 0.000 1.010 18 T CB 0.078 68.947 68.868 0.003 0.000 0.984 18 T HN 0.335 nan 8.240 nan 0.000 0.537 19 R N 3.004 123.507 120.500 0.004 0.000 2.347 19 R HA 0.313 4.654 4.340 0.000 0.000 0.304 19 R C 0.609 176.911 176.300 0.003 0.000 1.072 19 R CA -0.104 55.998 56.100 0.004 0.000 0.980 19 R CB 0.269 30.571 30.300 0.005 0.000 0.986 19 R HN 0.281 nan 8.270 nan 0.000 0.448 20 T N -1.124 113.431 114.554 0.002 0.000 2.929 20 T HA 0.367 4.717 4.350 0.000 0.000 0.284 20 T C 1.279 175.979 174.700 -0.000 0.000 1.014 20 T CA -0.588 61.512 62.100 0.000 0.000 1.051 20 T CB 1.929 70.797 68.868 -0.000 0.000 1.028 20 T HN 0.554 nan 8.240 nan 0.000 0.485 21 A N 1.358 124.177 122.820 -0.003 0.000 2.019 21 A HA 0.227 4.547 4.320 0.000 0.000 0.219 21 A C 2.492 180.073 177.584 -0.005 0.000 1.164 21 A CA 1.530 53.564 52.037 -0.005 0.000 0.644 21 A CB -1.337 17.658 19.000 -0.009 0.000 0.805 21 A HN 1.213 nan 8.150 nan 0.000 0.449 22 A N 0.749 123.566 122.820 -0.004 0.000 1.930 22 A HA -0.134 4.186 4.320 0.000 0.000 0.217 22 A C 1.937 179.521 177.584 -0.000 0.000 1.175 22 A CA 1.500 53.535 52.037 -0.003 0.000 0.627 22 A CB -0.432 18.566 19.000 -0.003 0.000 0.815 22 A HN 0.771 nan 8.150 nan 0.000 0.443 23 E N -0.491 119.710 120.200 0.001 0.000 2.442 23 E HA -0.053 4.297 4.350 0.000 0.000 0.195 23 E C 1.209 177.813 176.600 0.007 0.000 1.030 23 E CA 1.196 57.599 56.400 0.004 0.000 0.869 23 E CB -0.335 29.367 29.700 0.004 0.000 0.857 23 E HN 0.575 nan 8.360 nan 0.000 0.505 24 T N -2.519 112.039 114.554 0.007 0.000 3.010 24 T HA 0.284 4.634 4.350 0.000 0.000 0.257 24 T C 1.056 175.764 174.700 0.013 0.000 1.020 24 T CA -0.005 62.101 62.100 0.011 0.000 0.938 24 T CB 0.527 69.400 68.868 0.009 0.000 1.049 24 T HN 0.157 nan 8.240 nan 0.000 0.522 25 G N 1.092 109.897 108.800 0.008 0.000 2.664 25 G HA2 0.343 4.303 3.960 0.000 0.000 0.242 25 G HA3 0.343 4.303 3.960 0.000 0.000 0.242 25 G C -0.400 174.512 174.900 0.020 0.000 1.225 25 G CA -0.347 44.756 45.100 0.006 0.000 0.849 25 G HN 0.271 nan 8.290 nan 0.000 0.581 26 D N -0.689 119.726 120.400 0.025 0.000 2.371 26 D HA 0.334 4.974 4.640 0.000 0.000 0.242 26 D C 0.308 176.632 176.300 0.041 0.000 1.218 26 D CA 0.070 54.101 54.000 0.053 0.000 0.945 26 D CB 0.585 41.430 40.800 0.075 0.000 1.137 26 D HN 0.125 nan 8.370 nan 0.000 0.464 27 R N 1.084 121.618 120.500 0.057 0.000 2.651 27 R HA 0.401 4.741 4.340 0.000 0.000 0.278 27 R C -0.637 175.704 176.300 0.067 0.000 1.010 27 R CA -0.765 55.364 56.100 0.049 0.000 0.896 27 R CB 1.110 31.436 30.300 0.043 0.000 1.211 27 R HN 0.458 nan 8.270 nan 0.000 0.456 28 I N 2.463 123.068 120.570 0.058 0.000 2.471 28 I HA 0.050 4.220 4.170 0.000 0.000 0.286 28 I C 1.242 177.417 176.117 0.097 0.000 1.079 28 I CA 0.560 61.906 61.300 0.078 0.000 1.398 28 I CB 0.731 38.758 38.000 0.046 0.000 1.403 28 I HN 0.554 nan 8.210 nan 0.000 0.530 29 E N 4.257 124.546 120.200 0.148 0.000 2.453 29 E HA 0.061 4.411 4.350 0.000 0.000 0.211 29 E C -0.719 176.054 176.600 0.288 0.000 0.897 29 E CA -0.044 56.461 56.400 0.174 0.000 1.063 29 E CB 1.021 30.810 29.700 0.149 0.000 1.080 29 E HN 0.610 nan 8.360 nan 0.000 0.512 30 W N 0.791 122.132 121.300 0.068 0.000 3.256 30 W HA 0.439 5.098 4.660 -0.001 0.000 0.324 30 W C -1.898 174.686 176.519 0.108 0.000 1.196 30 W CA -0.520 56.878 57.345 0.089 0.000 1.206 30 W CB 1.311 30.812 29.460 0.068 0.000 1.385 30 W HN -0.376 nan 8.180 nan 0.000 0.522 31 V N 5.207 124.793 119.914 -0.547 0.000 2.808 31 V HA 0.478 4.598 4.120 0.000 0.000 0.308 31 V C -0.935 174.673 176.094 -0.810 0.000 1.099 31 V CA -1.254 60.736 62.300 -0.516 0.000 0.920 31 V CB 1.901 33.630 31.823 -0.156 0.000 1.014 31 V HN 0.438 nan 8.190 nan 0.000 0.425 32 K N 4.694 124.648 120.400 -0.743 0.000 2.426 32 K HA 0.745 5.065 4.320 0.000 0.000 0.254 32 K C -1.764 174.771 176.600 -0.109 0.000 0.936 32 K CA -0.615 55.381 56.287 -0.486 0.000 0.801 32 K CB 1.626 33.789 32.500 -0.561 0.000 1.139 32 K HN 0.647 nan 8.250 nan 0.000 0.424 33 L N 2.463 123.712 121.223 0.042 0.000 2.334 33 L HA 0.525 4.865 4.340 0.000 0.000 0.276 33 L C -0.549 176.483 176.870 0.270 0.000 1.014 33 L CA -0.853 54.089 54.840 0.170 0.000 0.815 33 L CB 2.098 44.274 42.059 0.195 0.000 1.268 33 L HN 0.633 nan 8.230 nan 0.000 0.428 34 S N 2.914 118.753 115.700 0.231 0.000 2.541 34 S HA 0.596 5.066 4.470 0.000 0.000 0.280 34 S C -1.179 173.384 174.600 -0.062 0.000 1.112 34 S CA -0.511 57.738 58.200 0.082 0.000 0.925 34 S CB 2.408 65.634 63.200 0.042 0.000 1.067 34 S HN 0.401 nan 8.310 nan 0.000 0.479 35 L N 3.199 124.190 121.223 -0.386 0.000 2.316 35 L HA 0.872 5.212 4.340 0.000 0.000 0.280 35 L C -0.287 176.342 176.870 -0.402 0.000 1.006 35 L CA -0.184 54.368 54.840 -0.481 0.000 0.836 35 L CB 0.337 41.905 42.059 -0.819 0.000 1.221 35 L HN 0.816 nan 8.230 nan 0.000 0.418 36 A N 4.013 126.597 122.820 -0.393 0.000 2.346 36 A HA 0.875 5.195 4.320 0.000 0.000 0.313 36 A C -1.490 175.752 177.584 -0.571 0.000 1.140 36 A CA -0.438 51.431 52.037 -0.280 0.000 0.826 36 A CB 0.931 19.887 19.000 -0.072 0.000 1.332 36 A HN 0.528 nan 8.150 nan 0.000 0.457 37 F N 0.003 119.899 119.950 -0.090 0.000 2.507 37 F HA 0.448 4.975 4.527 -0.000 0.000 0.328 37 F C -0.372 175.138 175.800 -0.485 0.000 1.136 37 F CA -0.456 57.415 58.000 -0.214 0.000 0.930 37 F CB 2.037 40.919 39.000 -0.195 0.000 1.166 37 F HN 0.329 nan 8.300 nan 0.000 0.436 38 L N 7.541 128.561 121.223 -0.338 0.000 2.312 38 L HA 0.412 4.752 4.340 0.000 0.000 0.287 38 L C -2.122 174.367 176.870 -0.636 0.000 1.091 38 L CA -2.180 52.252 54.840 -0.679 0.000 0.846 38 L CB 0.120 41.957 42.059 -0.370 0.000 1.219 38 L HN 0.228 nan 8.230 nan 0.000 0.439 39 P HA 0.107 nan 4.420 nan 0.000 0.276 39 P C -1.059 175.971 177.300 -0.450 0.000 1.230 39 P CA -0.171 62.610 63.100 -0.531 0.000 0.776 39 P CB 0.926 32.344 31.700 -0.470 0.000 0.888 40 L N 2.895 123.884 121.223 -0.390 0.000 2.337 40 L HA 0.331 4.672 4.340 0.000 0.000 0.269 40 L C 1.684 178.390 176.870 -0.275 0.000 1.018 40 L CA -0.728 53.870 54.840 -0.403 0.000 0.876 40 L CB 1.262 42.983 42.059 -0.562 0.000 1.236 40 L HN 0.356 nan 8.230 nan 0.000 0.436 41 A N 1.955 124.661 122.820 -0.191 0.000 1.917 41 A HA -0.112 4.208 4.320 0.000 0.000 0.219 41 A C 1.141 178.646 177.584 -0.132 0.000 1.182 41 A CA 1.575 53.537 52.037 -0.126 0.000 0.633 41 A CB -0.365 18.596 19.000 -0.065 0.000 0.819 41 A HN 0.575 nan 8.150 nan 0.000 0.448 42 T N 2.069 116.536 114.554 -0.146 0.000 2.781 42 T HA 0.464 4.814 4.350 0.000 0.000 0.305 42 T C -2.689 171.833 174.700 -0.295 0.000 1.001 42 T CA -0.995 61.009 62.100 -0.160 0.000 0.950 42 T CB 1.124 69.954 68.868 -0.062 0.000 0.955 42 T HN 0.081 nan 8.240 nan 0.000 0.471 43 P HA 0.087 nan 4.420 nan 0.000 0.262 43 P C -0.608 176.330 177.300 -0.603 0.000 1.182 43 P CA -0.172 62.711 63.100 -0.362 0.000 0.761 43 P CB 0.403 31.951 31.700 -0.254 0.000 0.795 44 V N 3.802 123.414 119.914 -0.504 0.000 2.439 44 V HA 0.352 4.472 4.120 0.000 0.000 0.282 44 V C 0.351 176.313 176.094 -0.221 0.000 1.039 44 V CA 0.097 62.095 62.300 -0.503 0.000 0.913 44 V CB 1.448 33.020 31.823 -0.420 0.000 0.983 44 V HN 0.464 nan 8.190 nan 0.000 0.460 45 S N 3.102 118.875 115.700 0.121 0.000 2.647 45 S HA 0.572 5.042 4.470 0.000 0.000 0.300 45 S C -0.779 173.996 174.600 0.291 0.000 1.129 45 S CA -0.914 57.383 58.200 0.161 0.000 1.029 45 S CB 1.466 64.765 63.200 0.166 0.000 1.007 45 S HN 0.986 nan 8.310 nan 0.000 0.484 46 D N 1.573 122.119 120.400 0.243 0.000 2.616 46 D HA 0.651 5.291 4.640 0.000 0.000 0.260 46 D C 1.245 177.629 176.300 0.141 0.000 1.158 46 D CA -0.739 53.438 54.000 0.296 0.000 1.085 46 D CB -0.040 40.973 40.800 0.355 0.000 1.222 46 D HN 0.360 nan 8.370 nan 0.000 0.626 47 A N -0.342 122.522 122.820 0.075 0.000 1.978 47 A HA -0.231 4.089 4.320 0.000 0.000 0.220 47 A C 1.844 179.439 177.584 0.019 0.000 1.170 47 A CA 1.666 53.710 52.037 0.012 0.000 0.636 47 A CB -0.861 18.090 19.000 -0.082 0.000 0.810 47 A HN 0.554 nan 8.150 nan 0.000 0.448 48 K N -0.586 119.833 120.400 0.032 0.000 2.152 48 K HA -0.090 4.230 4.320 0.000 0.000 0.206 48 K C 1.780 178.399 176.600 0.031 0.000 1.048 48 K CA 1.456 57.760 56.287 0.028 0.000 0.933 48 K CB -0.290 32.232 32.500 0.036 0.000 0.721 48 K HN 0.373 nan 8.250 nan 0.000 0.447 49 V N 1.396 121.335 119.914 0.043 0.000 2.407 49 V HA -0.159 3.961 4.120 0.000 0.000 0.245 49 V C 2.100 178.216 176.094 0.036 0.000 1.041 49 V CA 1.085 63.406 62.300 0.035 0.000 1.040 49 V CB -0.280 31.567 31.823 0.041 0.000 0.671 49 V HN 0.278 nan 8.190 nan 0.000 0.455 50 L N 1.194 122.444 121.223 0.046 0.000 2.191 50 L HA -0.118 4.222 4.340 0.000 0.000 0.212 50 L C 2.429 179.320 176.870 0.035 0.000 1.103 50 L CA 2.531 57.397 54.840 0.043 0.000 0.769 50 L CB -1.586 40.502 42.059 0.048 0.000 0.908 50 L HN 0.655 nan 8.230 nan 0.000 0.438 51 T N -4.558 110.014 114.554 0.030 0.000 3.086 51 T HA 0.290 4.640 4.350 0.000 0.000 0.250 51 T C 1.390 176.104 174.700 0.024 0.000 1.074 51 T CA 0.483 62.600 62.100 0.029 0.000 0.988 51 T CB 0.463 69.348 68.868 0.028 0.000 0.988 51 T HN 0.409 nan 8.240 nan 0.000 0.530 52 G N 2.004 110.817 108.800 0.021 0.000 2.162 52 G HA2 -0.299 3.661 3.960 0.000 0.000 0.260 52 G HA3 -0.299 3.661 3.960 0.000 0.000 0.260 52 G C 1.185 176.092 174.900 0.013 0.000 0.976 52 G CA 0.226 45.336 45.100 0.016 0.000 0.655 52 G HN 0.435 nan 8.290 nan 0.000 0.533 53 R N -0.103 120.406 120.500 0.016 0.000 2.115 53 R HA 0.077 4.417 4.340 0.000 0.000 0.226 53 R C 1.318 177.625 176.300 0.011 0.000 1.100 53 R CA 1.502 57.611 56.100 0.014 0.000 0.980 53 R CB -0.104 30.206 30.300 0.017 0.000 0.875 53 R HN 0.726 nan 8.270 nan 0.000 0.445 54 Q N -0.843 118.964 119.800 0.010 0.000 2.565 54 Q HA 0.358 4.698 4.340 0.000 0.000 0.294 54 Q C -0.869 175.130 176.000 -0.002 0.000 1.005 54 Q CA -0.977 54.828 55.803 0.004 0.000 0.771 54 Q CB 1.972 30.715 28.738 0.008 0.000 1.486 54 Q HN -0.285 nan 8.270 nan 0.000 0.422 55 K N 0.869 121.261 120.400 -0.014 0.000 2.090 55 K HA 0.512 4.832 4.320 0.000 0.000 0.249 55 K C -2.437 174.141 176.600 -0.038 0.000 0.995 55 K CA -2.051 54.221 56.287 -0.025 0.000 0.914 55 K CB 0.222 32.701 32.500 -0.035 0.000 1.057 55 K HN 0.335 nan 8.250 nan 0.000 0.462 56 P HA -0.037 nan 4.420 nan 0.000 0.266 56 P C -0.492 176.739 177.300 -0.115 0.000 1.193 56 P CA -0.278 62.769 63.100 -0.088 0.000 0.770 56 P CB 0.343 31.977 31.700 -0.110 0.000 0.836 57 L N 3.504 124.639 121.223 -0.147 0.000 2.313 57 L HA 0.275 4.615 4.340 0.000 0.000 0.282 57 L C 1.037 177.760 176.870 -0.244 0.000 1.092 57 L CA 0.850 55.588 54.840 -0.170 0.000 0.831 57 L CB 0.323 42.283 42.059 -0.165 0.000 1.159 57 L HN 0.491 nan 8.230 nan 0.000 0.442 58 T N 0.362 114.782 114.554 -0.222 0.000 3.040 58 T HA 0.370 4.721 4.350 0.000 0.000 0.266 58 T C 0.000 174.535 174.700 -0.276 0.000 1.005 58 T CA 0.278 62.229 62.100 -0.249 0.000 0.906 58 T CB -0.241 68.508 68.868 -0.198 0.000 1.082 58 T HN 0.711 nan 8.240 nan 0.000 0.531 59 E N -0.521 119.525 120.200 -0.257 0.000 2.398 59 E HA 0.548 4.898 4.350 0.000 0.000 0.280 59 E C -2.154 174.373 176.600 -0.122 0.000 1.122 59 E CA -1.263 54.999 56.400 -0.231 0.000 0.873 59 E CB 1.190 30.783 29.700 -0.178 0.000 1.294 59 E HN -0.018 nan 8.360 nan 0.000 0.435 60 V N 0.541 120.412 119.914 -0.071 0.000 2.588 60 V HA 0.725 4.845 4.120 0.000 0.000 0.304 60 V C -0.170 175.976 176.094 0.087 0.000 1.042 60 V CA -0.382 61.945 62.300 0.045 0.000 0.877 60 V CB 1.457 33.312 31.823 0.054 0.000 0.996 60 V HN 0.876 nan 8.190 nan 0.000 0.425 61 A N 6.217 129.106 122.820 0.115 0.000 2.363 61 A HA 0.785 5.105 4.320 0.000 0.000 0.270 61 A C -0.494 177.040 177.584 -0.083 0.000 1.121 61 A CA -0.220 51.700 52.037 -0.195 0.000 0.800 61 A CB 0.168 19.108 19.000 -0.099 0.000 1.052 61 A HN 0.625 nan 8.150 nan 0.000 0.493 62 I N 3.237 123.670 120.570 -0.229 0.000 2.447 62 I HA 0.311 4.481 4.170 0.000 0.000 0.287 62 I C -1.069 175.015 176.117 -0.055 0.000 1.023 62 I CA -0.427 60.845 61.300 -0.047 0.000 1.083 62 I CB 1.386 39.307 38.000 -0.131 0.000 1.245 62 I HN 0.408 nan 8.210 nan 0.000 0.434 63 I N 7.232 127.864 120.570 0.103 0.000 2.328 63 I HA 0.400 4.570 4.170 0.000 0.000 0.287 63 I C 0.182 176.422 176.117 0.205 0.000 1.012 63 I CA -0.019 61.357 61.300 0.126 0.000 1.195 63 I CB 0.983 39.081 38.000 0.164 0.000 1.350 63 I HN 0.294 nan 8.210 nan 0.000 0.464 64 I N 5.234 125.904 120.570 0.167 0.000 2.437 64 I HA 0.761 4.931 4.170 0.000 0.000 0.298 64 I C 0.202 176.420 176.117 0.167 0.000 0.984 64 I CA -0.635 60.785 61.300 0.201 0.000 1.214 64 I CB 1.637 39.729 38.000 0.153 0.000 1.365 64 I HN 0.612 nan 8.210 nan 0.000 0.469 65 A N 5.193 128.111 122.820 0.162 0.000 2.356 65 A HA 0.711 5.032 4.320 0.000 0.000 0.310 65 A C -0.846 176.801 177.584 0.106 0.000 1.075 65 A CA -0.534 51.562 52.037 0.099 0.000 0.746 65 A CB 0.960 20.001 19.000 0.069 0.000 1.221 65 A HN 0.762 nan 8.150 nan 0.000 0.443 66 E N 1.782 122.016 120.200 0.057 0.000 2.224 66 E HA 0.575 4.925 4.350 0.000 0.000 0.265 66 E C -1.347 175.287 176.600 0.056 0.000 0.878 66 E CA -0.250 56.217 56.400 0.113 0.000 0.759 66 E CB 2.253 32.065 29.700 0.186 0.000 1.164 66 E HN 0.611 nan 8.360 nan 0.000 0.414 67 I N 2.527 123.182 120.570 0.142 0.000 2.498 67 I HA 0.457 4.627 4.170 0.000 0.000 0.290 67 I C -0.253 176.021 176.117 0.261 0.000 1.032 67 I CA -0.805 60.583 61.300 0.148 0.000 1.073 67 I CB 1.812 39.863 38.000 0.084 0.000 1.251 67 I HN 0.264 nan 8.210 nan 0.000 0.426 68 R N 3.324 124.035 120.500 0.353 0.000 2.562 68 R HA 0.554 4.894 4.340 0.000 0.000 0.298 68 R C -0.553 175.885 176.300 0.230 0.000 0.961 68 R CA -0.593 55.694 56.100 0.313 0.000 0.881 68 R CB 2.451 32.970 30.300 0.366 0.000 1.159 68 R HN 0.789 nan 8.270 nan 0.000 0.450 69 S N 1.205 117.016 115.700 0.185 0.000 2.651 69 S HA 0.258 4.729 4.470 0.000 0.000 0.291 69 S C 1.023 175.694 174.600 0.117 0.000 1.141 69 S CA -0.942 57.353 58.200 0.159 0.000 1.027 69 S CB 2.236 65.556 63.200 0.200 0.000 1.043 69 S HN 0.797 nan 8.310 nan 0.000 0.530 70 R N 0.519 121.079 120.500 0.100 0.000 2.103 70 R HA -0.148 4.193 4.340 0.000 0.000 0.242 70 R C 0.144 176.473 176.300 0.048 0.000 1.142 70 R CA 2.078 58.218 56.100 0.066 0.000 0.960 70 R CB -0.642 29.695 30.300 0.061 0.000 0.858 70 R HN 0.741 nan 8.270 nan 0.000 0.439 71 D N -1.020 119.432 120.400 0.087 0.000 2.352 71 D HA 0.087 4.727 4.640 0.000 0.000 0.232 71 D C 0.804 177.044 176.300 -0.101 0.000 1.055 71 D CA 1.066 55.104 54.000 0.064 0.000 0.891 71 D CB 0.461 41.375 40.800 0.189 0.000 0.897 71 D HN 0.596 nan 8.370 nan 0.000 0.529 72 G N 0.081 108.811 108.800 -0.116 0.000 2.141 72 G HA2 -0.252 3.708 3.960 0.000 0.000 0.231 72 G HA3 -0.252 3.708 3.960 0.000 0.000 0.231 72 G C -0.013 174.626 174.900 -0.436 0.000 0.984 72 G CA -0.556 44.376 45.100 -0.280 0.000 0.660 72 G HN 0.220 nan 8.290 nan 0.000 0.525 73 F N 1.003 120.980 119.950 0.044 0.000 2.425 73 F HA 0.679 5.206 4.527 0.000 0.000 0.331 73 F C 0.413 176.258 175.800 0.075 0.000 1.085 73 F CA -0.839 57.194 58.000 0.054 0.000 1.028 73 F CB 1.673 40.699 39.000 0.042 0.000 1.177 73 F HN 0.175 nan 8.300 nan 0.000 0.487 74 E N 0.201 120.559 120.200 0.264 0.000 2.272 74 E HA 0.698 5.048 4.350 0.000 0.000 0.269 74 E C -0.682 176.039 176.600 0.202 0.000 0.877 74 E CA -1.141 55.387 56.400 0.214 0.000 0.755 74 E CB 1.476 31.281 29.700 0.175 0.000 1.192 74 E HN 0.707 nan 8.360 nan 0.000 0.422 75 G N 0.380 109.290 108.800 0.183 0.000 2.566 75 G HA2 0.585 4.545 3.960 0.000 0.000 0.311 75 G HA3 0.585 4.545 3.960 0.000 0.000 0.311 75 G C -1.364 173.634 174.900 0.164 0.000 1.322 75 G CA -0.983 44.211 45.100 0.156 0.000 0.969 75 G HN 0.465 nan 8.290 nan 0.000 0.490 76 V N 1.391 121.407 119.914 0.170 0.000 2.656 76 V HA 0.985 5.106 4.120 0.000 0.000 0.307 76 V C 0.166 176.378 176.094 0.197 0.000 1.051 76 V CA 0.364 62.784 62.300 0.198 0.000 0.893 76 V CB 1.719 33.684 31.823 0.237 0.000 0.999 76 V HN 1.322 nan 8.190 nan 0.000 0.426 77 G N 4.751 113.676 108.800 0.208 0.000 2.684 77 G HA2 0.832 4.792 3.960 0.000 0.000 0.290 77 G HA3 0.832 4.792 3.960 0.000 0.000 0.290 77 G C -1.577 173.484 174.900 0.269 0.000 1.425 77 G CA -0.366 44.829 45.100 0.160 0.000 0.822 77 G HN 1.431 nan 8.290 nan 0.000 0.482 78 F N -1.173 118.845 119.950 0.114 0.000 2.668 78 F HA 0.884 5.411 4.527 0.000 0.000 0.309 78 F C -0.539 175.348 175.800 0.145 0.000 1.117 78 F CA -1.244 56.832 58.000 0.127 0.000 0.951 78 F CB 1.634 40.722 39.000 0.146 0.000 1.323 78 F HN 0.709 nan 8.300 nan 0.000 0.451 79 S N 0.716 116.651 115.700 0.393 0.000 2.709 79 S HA 0.899 5.369 4.470 0.000 0.000 0.302 79 S C -1.584 173.307 174.600 0.484 0.000 1.127 79 S CA -0.314 58.070 58.200 0.307 0.000 0.905 79 S CB 1.596 64.885 63.200 0.148 0.000 1.151 79 S HN 1.271 nan 8.310 nan 0.000 0.510 80 Y N -0.867 119.593 120.300 0.266 0.000 2.705 80 Y HA 0.810 5.360 4.550 -0.000 0.000 0.332 80 Y C -0.929 175.061 175.900 0.150 0.000 1.221 80 Y CA -0.879 57.355 58.100 0.223 0.000 1.059 80 Y CB 1.075 39.743 38.460 0.347 0.000 1.298 80 Y HN 0.594 nan 8.280 nan 0.000 0.459 81 S N 0.748 116.537 115.700 0.149 0.000 2.562 81 S HA 0.463 4.933 4.470 0.000 0.000 0.274 81 S C -2.075 172.642 174.600 0.195 0.000 1.160 81 S CA -0.945 57.270 58.200 0.025 0.000 0.933 81 S CB 0.936 64.145 63.200 0.014 0.000 1.100 81 S HN 0.645 nan 8.310 nan 0.000 0.468 82 K N 3.678 124.177 120.400 0.165 0.000 2.292 82 K HA 0.606 4.926 4.320 0.000 0.000 0.270 82 K C 0.027 176.667 176.600 0.067 0.000 1.062 82 K CA -0.547 55.814 56.287 0.124 0.000 0.916 82 K CB 0.884 33.455 32.500 0.118 0.000 1.166 82 K HN 0.749 nan 8.250 nan 0.000 0.458 83 R N 0.059 120.591 120.500 0.054 0.000 4.183 83 R HA -0.164 4.176 4.340 0.000 0.000 0.290 83 R C -0.608 175.722 176.300 0.050 0.000 0.241 83 R CA 0.250 56.368 56.100 0.031 0.000 0.985 83 R CB -1.047 29.263 30.300 0.016 0.000 1.166 83 R HN 0.746 nan 8.270 nan 0.000 0.474 84 A N 0.565 123.405 122.820 0.033 0.000 2.567 84 A HA 0.400 4.720 4.320 0.000 0.000 0.240 84 A C 1.307 178.918 177.584 0.045 0.000 1.053 84 A CA 1.502 53.565 52.037 0.043 0.000 0.755 84 A CB -0.150 18.864 19.000 0.024 0.000 0.978 84 A HN 1.229 nan 8.150 nan 0.000 0.507 85 G N 1.368 110.207 108.800 0.064 0.000 3.611 85 G HA2 0.034 3.994 3.960 0.000 0.000 0.217 85 G HA3 0.034 3.994 3.960 0.000 0.000 0.217 85 G C 1.249 176.192 174.900 0.072 0.000 1.023 85 G CA 0.592 45.721 45.100 0.049 0.000 0.887 85 G HN 1.550 nan 8.290 nan 0.000 0.420 86 G N 0.719 109.580 108.800 0.101 0.000 2.440 86 G HA2 -0.112 3.848 3.960 0.000 0.000 0.218 86 G HA3 -0.112 3.848 3.960 0.000 0.000 0.218 86 G C 1.633 176.615 174.900 0.138 0.000 1.154 86 G CA 1.829 46.984 45.100 0.093 0.000 0.767 86 G HN 0.427 nan 8.290 nan 0.000 0.552 87 Q N 0.417 120.323 119.800 0.176 0.000 2.050 87 Q HA -0.071 4.269 4.340 0.000 0.000 0.202 87 Q C 2.827 178.938 176.000 0.186 0.000 0.980 87 Q CA 1.595 57.516 55.803 0.196 0.000 0.840 87 Q CB -1.049 27.787 28.738 0.164 0.000 0.898 87 Q HN 0.454 nan 8.270 nan 0.000 0.424 88 G N 0.821 109.698 108.800 0.129 0.000 2.402 88 G HA2 -0.165 3.795 3.960 0.000 0.000 0.216 88 G HA3 -0.165 3.795 3.960 0.000 0.000 0.216 88 G C 1.604 176.574 174.900 0.117 0.000 1.162 88 G CA 0.453 45.615 45.100 0.104 0.000 0.777 88 G HN 0.273 nan 8.290 nan 0.000 0.539 89 I N -0.685 119.954 120.570 0.114 0.000 2.179 89 I HA -0.179 3.991 4.170 0.000 0.000 0.242 89 I C 2.459 178.665 176.117 0.147 0.000 1.088 89 I CA 1.247 62.616 61.300 0.115 0.000 1.357 89 I CB -0.307 37.747 38.000 0.090 0.000 1.051 89 I HN 0.217 nan 8.210 nan 0.000 0.409 90 Y N 1.843 122.173 120.300 0.050 0.000 2.145 90 Y HA -0.268 4.282 4.550 -0.000 0.000 0.286 90 Y C 2.528 178.463 175.900 0.058 0.000 1.145 90 Y CA 1.333 59.459 58.100 0.044 0.000 1.148 90 Y CB -0.524 37.956 38.460 0.032 0.000 0.981 90 Y HN 0.110 nan 8.280 nan 0.000 0.507 91 A N -0.581 122.252 122.820 0.022 0.000 1.883 91 A HA -0.292 4.028 4.320 0.000 0.000 0.217 91 A C 2.105 179.650 177.584 -0.065 0.000 1.186 91 A CA 2.176 54.182 52.037 -0.053 0.000 0.624 91 A CB -1.362 17.684 19.000 0.076 0.000 0.822 91 A HN 0.712 nan 8.150 nan 0.000 0.444 92 H N -0.248 118.778 119.070 -0.073 0.000 2.357 92 H HA 0.118 4.674 4.556 0.000 0.000 0.301 92 H C 2.194 177.452 175.328 -0.117 0.000 1.082 92 H CA 1.629 57.632 56.048 -0.074 0.000 1.342 92 H CB -0.290 29.445 29.762 -0.045 0.000 1.389 92 H HN 0.391 nan 8.280 nan 0.000 0.511 93 A N 0.857 123.583 122.820 -0.158 0.000 1.908 93 A HA -0.215 4.105 4.320 0.000 0.000 0.218 93 A C 2.306 179.706 177.584 -0.308 0.000 1.181 93 A CA 1.896 53.799 52.037 -0.223 0.000 0.627 93 A CB -0.625 18.308 19.000 -0.113 0.000 0.818 93 A HN 0.512 nan 8.150 nan 0.000 0.445 94 K N -0.282 119.917 120.400 -0.334 0.000 2.147 94 K HA -0.174 4.146 4.320 0.000 0.000 0.205 94 K C 1.892 178.392 176.600 -0.167 0.000 1.049 94 K CA 1.677 57.825 56.287 -0.230 0.000 0.936 94 K CB -0.131 32.148 32.500 -0.370 0.000 0.722 94 K HN 0.605 nan 8.250 nan 0.000 0.446 95 E N 0.518 120.579 120.200 -0.231 0.000 2.427 95 E HA -0.072 4.279 4.350 0.000 0.000 0.196 95 E C 1.603 178.031 176.600 -0.286 0.000 1.028 95 E CA 0.729 57.009 56.400 -0.200 0.000 0.864 95 E CB 0.106 29.715 29.700 -0.151 0.000 0.813 95 E HN 0.617 nan 8.360 nan 0.000 0.514 96 I N -4.769 115.558 120.570 -0.405 0.000 4.323 96 I HA 0.412 4.582 4.170 0.000 0.000 0.328 96 I C 2.043 177.911 176.117 -0.415 0.000 1.310 96 I CA 0.203 61.277 61.300 -0.376 0.000 1.186 96 I CB 0.266 38.023 38.000 -0.404 0.000 1.130 96 I HN -0.067 nan 8.210 nan 0.000 0.411 97 A N 2.029 124.510 122.820 -0.566 0.000 1.986 97 A HA -0.333 3.987 4.320 0.000 0.000 0.220 97 A C 1.933 179.054 177.584 -0.771 0.000 1.171 97 A CA 2.533 54.146 52.037 -0.706 0.000 0.640 97 A CB -0.991 17.441 19.000 -0.948 0.000 0.811 97 A HN 0.620 nan 8.150 nan 0.000 0.451 98 D N 0.081 119.962 120.400 -0.865 0.000 2.228 98 D HA -0.168 4.472 4.640 0.000 0.000 0.203 98 D C 1.578 177.730 176.300 -0.247 0.000 0.988 98 D CA 1.430 55.138 54.000 -0.488 0.000 0.864 98 D CB -0.280 40.372 40.800 -0.247 0.000 0.928 98 D HN 0.472 nan 8.370 nan 0.000 0.469 99 N N -0.236 118.325 118.700 -0.232 0.000 2.443 99 N HA -0.102 4.638 4.740 0.000 0.000 0.184 99 N C 1.742 177.185 175.510 -0.112 0.000 1.037 99 N CA 0.408 53.377 53.050 -0.136 0.000 0.896 99 N CB 0.002 38.419 38.487 -0.117 0.000 0.959 99 N HN 0.393 nan 8.380 nan 0.000 0.442 100 L N 0.782 121.915 121.223 -0.150 0.000 2.156 100 L HA 0.019 4.359 4.340 0.000 0.000 0.208 100 L C 0.773 177.612 176.870 -0.052 0.000 1.095 100 L CA 0.250 55.029 54.840 -0.102 0.000 0.770 100 L CB -0.272 41.712 42.059 -0.126 0.000 0.914 100 L HN 0.045 nan 8.230 nan 0.000 0.439 101 L N 0.804 121.999 121.223 -0.046 0.000 2.559 101 L HA 0.028 4.368 4.340 0.000 0.000 0.274 101 L C 1.369 178.245 176.870 0.009 0.000 1.205 101 L CA 0.763 55.606 54.840 0.006 0.000 0.907 101 L CB -0.138 41.938 42.059 0.029 0.000 1.153 101 L HN 0.417 nan 8.230 nan 0.000 0.490 102 G N 1.506 110.321 108.800 0.024 0.000 2.217 102 G HA2 -0.201 3.759 3.960 0.000 0.000 0.246 102 G HA3 -0.201 3.759 3.960 0.000 0.000 0.246 102 G C 0.290 175.197 174.900 0.011 0.000 0.990 102 G CA -0.364 44.748 45.100 0.020 0.000 0.627 102 G HN 0.559 nan 8.290 nan 0.000 0.522 103 E N 1.140 121.342 120.200 0.003 0.000 2.373 103 E HA 0.311 4.661 4.350 0.000 0.000 0.263 103 E C -0.353 176.246 176.600 -0.002 0.000 1.073 103 E CA -0.506 55.892 56.400 -0.004 0.000 0.894 103 E CB 0.859 30.550 29.700 -0.014 0.000 1.008 103 E HN 0.296 nan 8.360 nan 0.000 0.420 104 D N 3.210 123.604 120.400 -0.009 0.000 2.339 104 D HA 0.037 4.677 4.640 0.000 0.000 0.256 104 D C -1.506 174.774 176.300 -0.033 0.000 1.214 104 D CA -1.799 52.192 54.000 -0.015 0.000 0.877 104 D CB 0.979 41.766 40.800 -0.021 0.000 1.111 104 D HN 0.051 nan 8.370 nan 0.000 0.478 105 P HA -0.126 nan 4.420 nan 0.000 0.226 105 P C 0.354 177.587 177.300 -0.112 0.000 1.146 105 P CA 0.860 63.928 63.100 -0.054 0.000 0.773 105 P CB 0.349 32.036 31.700 -0.022 0.000 0.772 106 N N -0.201 118.430 118.700 -0.115 0.000 2.416 106 N HA -0.041 4.699 4.740 0.000 0.000 0.177 106 N C 0.223 175.630 175.510 -0.171 0.000 1.036 106 N CA 0.471 53.422 53.050 -0.165 0.000 0.901 106 N CB -0.254 38.152 38.487 -0.136 0.000 0.976 106 N HN 0.043 nan 8.380 nan 0.000 0.444 107 D N 0.821 121.152 120.400 -0.114 0.000 2.713 107 D HA 0.127 4.767 4.640 0.000 0.000 0.229 107 D C 1.088 177.336 176.300 -0.086 0.000 1.136 107 D CA -0.017 53.930 54.000 -0.089 0.000 1.010 107 D CB -0.036 40.737 40.800 -0.046 0.000 1.084 107 D HN 0.286 nan 8.370 nan 0.000 0.495 108 I N -0.108 120.366 120.570 -0.160 0.000 2.151 108 I HA -0.310 3.860 4.170 0.000 0.000 0.243 108 I C 1.504 177.634 176.117 0.022 0.000 1.080 108 I CA 1.347 62.565 61.300 -0.137 0.000 1.339 108 I CB 0.043 37.813 38.000 -0.382 0.000 1.039 108 I HN 0.009 nan 8.210 nan 0.000 0.409 109 D N 0.387 120.801 120.400 0.022 0.000 2.224 109 D HA -0.154 4.487 4.640 0.000 0.000 0.205 109 D C 2.137 178.495 176.300 0.097 0.000 0.965 109 D CA 0.799 54.847 54.000 0.080 0.000 0.852 109 D CB -0.031 40.786 40.800 0.028 0.000 0.947 109 D HN 0.205 nan 8.370 nan 0.000 0.494 110 K N 0.359 120.793 120.400 0.056 0.000 2.057 110 K HA -0.066 4.254 4.320 0.000 0.000 0.206 110 K C 1.902 178.553 176.600 0.085 0.000 1.050 110 K CA 0.787 57.113 56.287 0.064 0.000 0.935 110 K CB -0.019 32.498 32.500 0.029 0.000 0.715 110 K HN 0.124 nan 8.250 nan 0.000 0.439 111 I N 0.074 120.682 120.570 0.064 0.000 2.252 111 I HA -0.279 3.891 4.170 0.000 0.000 0.245 111 I C 2.147 178.312 176.117 0.080 0.000 1.102 111 I CA 1.173 62.500 61.300 0.046 0.000 1.385 111 I CB -0.302 37.699 38.000 0.002 0.000 1.064 111 I HN 0.235 nan 8.210 nan 0.000 0.414 112 Y N 1.536 121.842 120.300 0.011 0.000 2.165 112 Y HA -0.340 4.210 4.550 0.001 0.000 0.286 112 Y C 2.783 178.695 175.900 0.020 0.000 1.155 112 Y CA 2.230 60.342 58.100 0.020 0.000 1.164 112 Y CB -0.184 38.296 38.460 0.034 0.000 0.978 112 Y HN 0.092 nan 8.280 nan 0.000 0.513 113 T N 0.025 114.746 114.554 0.278 0.000 2.746 113 T HA -0.220 4.130 4.350 0.000 0.000 0.267 113 T C 1.838 176.676 174.700 0.229 0.000 1.039 113 T CA 1.672 63.894 62.100 0.205 0.000 1.142 113 T CB -0.255 68.731 68.868 0.198 0.000 0.866 113 T HN 0.273 nan 8.240 nan 0.000 0.444 114 K N 0.729 121.251 120.400 0.203 0.000 2.097 114 K HA -0.020 4.300 4.320 0.000 0.000 0.206 114 K C 2.170 178.851 176.600 0.134 0.000 1.049 114 K CA 1.043 57.445 56.287 0.192 0.000 0.933 114 K CB -0.251 32.306 32.500 0.094 0.000 0.717 114 K HN 0.307 nan 8.250 nan 0.000 0.442 115 L N 0.777 122.026 121.223 0.043 0.000 2.093 115 L HA -0.161 4.179 4.340 0.000 0.000 0.208 115 L C 2.352 179.229 176.870 0.012 0.000 1.085 115 L CA 0.792 55.613 54.840 -0.031 0.000 0.755 115 L CB -0.331 41.636 42.059 -0.154 0.000 0.904 115 L HN 0.218 nan 8.230 nan 0.000 0.435 116 L N -1.704 119.532 121.223 0.020 0.000 2.056 116 L HA -0.199 4.141 4.340 0.000 0.000 0.207 116 L C 2.418 179.267 176.870 -0.035 0.000 1.078 116 L CA 1.621 56.444 54.840 -0.029 0.000 0.749 116 L CB -0.503 41.500 42.059 -0.094 0.000 0.901 116 L HN 0.314 nan 8.230 nan 0.000 0.433 117 W N -0.327 121.000 121.300 0.044 0.000 2.363 117 W HA -0.182 4.478 4.660 -0.000 0.000 0.296 117 W C 2.637 179.168 176.519 0.020 0.000 1.212 117 W CA 0.785 58.148 57.345 0.030 0.000 1.260 117 W CB -0.166 29.306 29.460 0.021 0.000 1.131 117 W HN 0.109 nan 8.180 nan 0.000 0.530 118 A N -0.297 122.664 122.820 0.235 0.000 2.019 118 A HA 0.016 4.336 4.320 0.000 0.000 0.219 118 A C 1.861 179.515 177.584 0.117 0.000 1.164 118 A CA 1.603 53.715 52.037 0.126 0.000 0.644 118 A CB -0.947 18.074 19.000 0.036 0.000 0.805 118 A HN 0.241 nan 8.150 nan 0.000 0.449 119 G N -1.767 107.115 108.800 0.137 0.000 4.331 119 G HA2 0.437 4.397 3.960 0.000 0.000 0.299 119 G HA3 0.437 4.397 3.960 0.000 0.000 0.299 119 G C 0.927 175.883 174.900 0.092 0.000 1.158 119 G CA 0.744 45.949 45.100 0.175 0.000 0.916 119 G HN 0.537 nan 8.290 nan 0.000 0.553 120 A N 0.451 123.329 122.820 0.097 0.000 1.948 120 A HA -0.102 4.218 4.320 0.000 0.000 0.220 120 A C 2.524 180.121 177.584 0.022 0.000 1.177 120 A CA 2.297 54.358 52.037 0.040 0.000 0.636 120 A CB -0.407 18.694 19.000 0.167 0.000 0.815 120 A HN 0.508 nan 8.150 nan 0.000 0.449 121 S N -0.666 115.062 115.700 0.047 0.000 2.442 121 S HA -0.083 4.387 4.470 0.000 0.000 0.236 121 S C 1.475 176.070 174.600 -0.009 0.000 1.007 121 S CA 1.498 59.713 58.200 0.026 0.000 0.965 121 S CB -0.493 62.730 63.200 0.038 0.000 0.773 121 S HN 0.902 nan 8.310 nan 0.000 0.504 122 V N -1.434 118.459 119.914 -0.034 0.000 3.444 122 V HA 0.646 4.766 4.120 0.000 0.000 0.308 122 V C 0.843 176.884 176.094 -0.089 0.000 1.371 122 V CA -0.014 62.234 62.300 -0.087 0.000 1.141 122 V CB -1.073 30.636 31.823 -0.191 0.000 1.037 122 V HN 0.521 nan 8.190 nan 0.000 0.433 123 G N 1.456 110.218 108.800 -0.063 0.000 2.710 123 G HA2 -0.159 3.801 3.960 0.000 0.000 0.668 123 G HA3 -0.159 3.801 3.960 0.000 0.000 0.668 123 G C -0.126 174.745 174.900 -0.048 0.000 1.320 123 G CA -0.154 44.913 45.100 -0.056 0.000 0.860 123 G HN 0.422 nan 8.290 nan 0.000 0.538 124 R N 0.119 120.601 120.500 -0.029 0.000 2.613 124 R HA 0.472 4.812 4.340 0.000 0.000 0.361 124 R C 0.576 176.902 176.300 0.043 0.000 1.072 124 R CA 0.527 56.629 56.100 0.003 0.000 1.089 124 R CB 0.529 30.817 30.300 -0.020 0.000 1.343 124 R HN 1.056 nan 8.270 nan 0.000 0.571 125 S N -1.824 113.894 115.700 0.030 0.000 2.615 125 S HA 0.778 5.248 4.470 0.000 0.000 0.269 125 S C 0.247 174.863 174.600 0.025 0.000 1.161 125 S CA -0.291 57.938 58.200 0.049 0.000 0.817 125 S CB 2.115 65.344 63.200 0.048 0.000 1.131 125 S HN 0.309 nan 8.310 nan 0.000 0.467 126 G N 1.473 110.296 108.800 0.038 0.000 2.553 126 G HA2 -0.281 3.679 3.960 0.000 0.000 0.242 126 G HA3 -0.281 3.679 3.960 0.000 0.000 0.242 126 G C 0.660 175.560 174.900 0.002 0.000 1.277 126 G CA 0.391 45.500 45.100 0.015 0.000 0.910 126 G HN 1.439 nan 8.290 nan 0.000 0.576 127 M N 0.233 119.819 119.600 -0.023 0.000 2.089 127 M HA -0.086 4.395 4.480 0.000 0.000 0.257 127 M C 2.860 179.133 176.300 -0.045 0.000 1.071 127 M CA 3.570 58.850 55.300 -0.032 0.000 1.096 127 M CB -0.622 31.951 32.600 -0.045 0.000 1.330 127 M HN 1.357 nan 8.290 nan 0.000 0.403 128 A N -0.323 122.424 122.820 -0.122 0.000 1.883 128 A HA -0.184 4.136 4.320 0.000 0.000 0.217 128 A C 2.054 179.647 177.584 0.015 0.000 1.186 128 A CA 2.373 54.308 52.037 -0.170 0.000 0.624 128 A CB -1.514 17.323 19.000 -0.271 0.000 0.822 128 A HN 0.646 nan 8.150 nan 0.000 0.444 129 V N -2.800 117.134 119.914 0.032 0.000 2.667 129 V HA -0.193 3.927 4.120 0.000 0.000 0.252 129 V C 1.946 178.086 176.094 0.077 0.000 1.065 129 V CA 2.043 64.394 62.300 0.085 0.000 1.083 129 V CB -1.034 30.893 31.823 0.173 0.000 0.692 129 V HN 0.597 nan 8.190 nan 0.000 0.468 130 Q N 0.479 120.314 119.800 0.058 0.000 2.369 130 Q HA 0.139 4.479 4.340 0.000 0.000 0.206 130 Q C 2.272 178.302 176.000 0.051 0.000 0.963 130 Q CA 1.253 57.086 55.803 0.050 0.000 0.894 130 Q CB -0.158 28.590 28.738 0.016 0.000 0.965 130 Q HN 0.807 nan 8.270 nan 0.000 0.475 131 A N 0.062 122.920 122.820 0.062 0.000 2.072 131 A HA 0.016 4.336 4.320 0.000 0.000 0.216 131 A C 1.759 179.347 177.584 0.007 0.000 1.156 131 A CA 0.442 52.522 52.037 0.073 0.000 0.701 131 A CB -0.013 19.096 19.000 0.183 0.000 0.816 131 A HN 0.257 nan 8.150 nan 0.000 0.458 132 I N -0.843 119.707 120.570 -0.033 0.000 2.852 132 I HA -0.098 4.072 4.170 0.000 0.000 0.264 132 I C 2.340 178.404 176.117 -0.089 0.000 1.179 132 I CA 0.520 61.722 61.300 -0.162 0.000 1.480 132 I CB -0.062 37.690 38.000 -0.414 0.000 1.111 132 I HN 0.169 nan 8.210 nan 0.000 0.441 133 S N 2.024 117.731 115.700 0.012 0.000 2.368 133 S HA -0.135 4.335 4.470 0.000 0.000 0.226 133 S C -0.323 174.301 174.600 0.041 0.000 1.044 133 S CA 1.932 60.170 58.200 0.065 0.000 1.062 133 S CB -1.439 61.806 63.200 0.075 0.000 0.931 133 S HN 0.375 nan 8.310 nan 0.000 0.440 134 P HA -0.058 nan 4.420 nan 0.000 0.217 134 P C 1.363 178.692 177.300 0.049 0.000 1.150 134 P CA 1.099 64.234 63.100 0.058 0.000 0.832 134 P CB -0.180 31.585 31.700 0.108 0.000 0.787 135 I N 0.364 120.942 120.570 0.013 0.000 2.202 135 I HA -0.216 3.954 4.170 0.000 0.000 0.242 135 I C 2.459 178.594 176.117 0.030 0.000 1.091 135 I CA 1.902 63.198 61.300 -0.007 0.000 1.368 135 I CB -0.874 37.081 38.000 -0.076 0.000 1.058 135 I HN -0.036 nan 8.210 nan 0.000 0.410 136 D N 1.312 121.745 120.400 0.056 0.000 2.104 136 D HA -0.192 4.449 4.640 0.000 0.000 0.194 136 D C 2.159 178.630 176.300 0.285 0.000 0.994 136 D CA 1.482 55.597 54.000 0.193 0.000 0.830 136 D CB -0.015 40.977 40.800 0.321 0.000 0.959 136 D HN 0.284 nan 8.370 nan 0.000 0.452 137 I N 0.347 121.029 120.570 0.188 0.000 2.315 137 I HA -0.207 3.963 4.170 0.000 0.000 0.248 137 I C 2.472 178.680 176.117 0.152 0.000 1.117 137 I CA 0.957 62.347 61.300 0.151 0.000 1.404 137 I CB -0.337 37.651 38.000 -0.020 0.000 1.071 137 I HN 0.091 nan 8.210 nan 0.000 0.419 138 A N 0.946 123.834 122.820 0.113 0.000 1.933 138 A HA -0.138 4.182 4.320 0.000 0.000 0.218 138 A C 2.285 179.926 177.584 0.095 0.000 1.175 138 A CA 1.309 53.412 52.037 0.109 0.000 0.628 138 A CB -0.752 18.306 19.000 0.096 0.000 0.814 138 A HN 0.378 nan 8.150 nan 0.000 0.444 139 L N -2.797 118.465 121.223 0.064 0.000 2.093 139 L HA -0.197 4.143 4.340 0.000 0.000 0.208 139 L C 2.553 179.382 176.870 -0.068 0.000 1.085 139 L CA 1.172 55.995 54.840 -0.029 0.000 0.755 139 L CB -0.468 41.531 42.059 -0.100 0.000 0.904 139 L HN 0.593 nan 8.230 nan 0.000 0.435 140 W N 0.583 121.881 121.300 -0.004 0.000 2.381 140 W HA -0.199 4.461 4.660 0.000 0.000 0.301 140 W C 2.387 178.881 176.519 -0.042 0.000 1.205 140 W CA 1.384 58.713 57.345 -0.026 0.000 1.285 140 W CB -0.284 29.156 29.460 -0.033 0.000 1.133 140 W HN 0.222 nan 8.180 nan 0.000 0.521 141 D N -0.086 120.428 120.400 0.190 0.000 2.123 141 D HA -0.270 4.370 4.640 0.000 0.000 0.196 141 D C 2.153 178.505 176.300 0.086 0.000 0.992 141 D CA 1.901 55.965 54.000 0.107 0.000 0.833 141 D CB -0.358 40.507 40.800 0.108 0.000 0.954 141 D HN 0.053 nan 8.370 nan 0.000 0.455 142 M N -0.163 119.481 119.600 0.073 0.000 2.086 142 M HA -0.171 4.309 4.480 0.000 0.000 0.261 142 M C 2.161 178.434 176.300 -0.044 0.000 1.067 142 M CA 1.500 56.831 55.300 0.052 0.000 1.116 142 M CB -0.087 32.542 32.600 0.049 0.000 1.348 142 M HN -0.083 nan 8.290 nan 0.000 0.407 143 K N 0.084 120.432 120.400 -0.086 0.000 2.063 143 K HA -0.162 4.158 4.320 0.000 0.000 0.208 143 K C 1.795 178.335 176.600 -0.100 0.000 1.048 143 K CA 1.576 57.774 56.287 -0.148 0.000 0.928 143 K CB -0.219 32.163 32.500 -0.196 0.000 0.713 143 K HN 0.441 nan 8.250 nan 0.000 0.442 144 A N 1.397 124.208 122.820 -0.016 0.000 1.883 144 A HA -0.207 4.113 4.320 0.000 0.000 0.217 144 A C 1.926 179.475 177.584 -0.060 0.000 1.186 144 A CA 1.883 53.906 52.037 -0.023 0.000 0.624 144 A CB -0.422 18.577 19.000 -0.002 0.000 0.822 144 A HN 0.331 nan 8.150 nan 0.000 0.444 145 K N -0.894 119.511 120.400 0.008 0.000 2.057 145 K HA -0.150 4.170 4.320 0.000 0.000 0.207 145 K C 2.347 178.962 176.600 0.025 0.000 1.049 145 K CA 1.423 57.772 56.287 0.102 0.000 0.931 145 K CB -0.191 32.444 32.500 0.224 0.000 0.714 145 K HN 0.478 nan 8.250 nan 0.000 0.440 146 R N 0.750 121.117 120.500 -0.223 0.000 2.105 146 R HA -0.133 4.207 4.340 0.000 0.000 0.239 146 R C 1.815 177.955 176.300 -0.267 0.000 1.135 146 R CA 1.574 57.314 56.100 -0.601 0.000 0.967 146 R CB -0.126 29.708 30.300 -0.776 0.000 0.861 146 R HN 0.190 nan 8.270 nan 0.000 0.442 147 A N -0.369 122.340 122.820 -0.185 0.000 2.218 147 A HA 0.219 4.540 4.320 0.000 0.000 0.209 147 A C 1.155 178.642 177.584 -0.162 0.000 1.168 147 A CA 0.619 52.572 52.037 -0.139 0.000 0.804 147 A CB -0.039 18.892 19.000 -0.115 0.000 0.834 147 A HN 0.542 nan 8.150 nan 0.000 0.482 148 G N -0.687 107.973 108.800 -0.233 0.000 2.272 148 G HA2 -0.195 3.765 3.960 0.000 0.000 0.280 148 G HA3 -0.195 3.765 3.960 0.000 0.000 0.280 148 G C -0.217 174.191 174.900 -0.821 0.000 1.067 148 G CA 0.660 45.426 45.100 -0.556 0.000 0.902 148 G HN 0.566 nan 8.290 nan 0.000 0.500 149 L N -1.279 119.600 121.223 -0.573 0.000 2.393 149 L HA 0.571 4.911 4.340 0.000 0.000 0.260 149 L C -2.396 174.398 176.870 -0.127 0.000 1.002 149 L CA -2.727 51.939 54.840 -0.290 0.000 0.818 149 L CB 2.479 44.459 42.059 -0.132 0.000 1.369 149 L HN -0.160 nan 8.230 nan 0.000 0.412 150 P HA 0.058 nan 4.420 nan 0.000 0.272 150 P C 0.401 177.690 177.300 -0.018 0.000 1.223 150 P CA -0.422 62.721 63.100 0.072 0.000 0.784 150 P CB 0.739 32.544 31.700 0.176 0.000 0.923 151 L N 3.648 124.724 121.223 -0.245 0.000 2.043 151 L HA -0.226 4.114 4.340 0.000 0.000 0.212 151 L C 2.081 178.938 176.870 -0.022 0.000 1.075 151 L CA 2.401 57.096 54.840 -0.242 0.000 0.752 151 L CB -1.621 40.102 42.059 -0.560 0.000 0.891 151 L HN 0.419 nan 8.230 nan 0.000 0.432 152 A N -0.896 122.055 122.820 0.219 0.000 1.986 152 A HA -0.216 4.104 4.320 0.000 0.000 0.220 152 A C 2.221 179.851 177.584 0.076 0.000 1.171 152 A CA 1.859 54.010 52.037 0.191 0.000 0.640 152 A CB -0.498 18.640 19.000 0.229 0.000 0.811 152 A HN 0.442 nan 8.150 nan 0.000 0.451 153 K N -0.977 119.460 120.400 0.062 0.000 2.243 153 K HA 0.060 4.380 4.320 0.000 0.000 0.201 153 K C 1.793 178.397 176.600 0.008 0.000 1.051 153 K CA 0.768 57.068 56.287 0.020 0.000 0.970 153 K CB -0.495 32.013 32.500 0.014 0.000 0.755 153 K HN 0.486 nan 8.250 nan 0.000 0.465 154 L N 1.014 122.247 121.223 0.017 0.000 2.093 154 L HA -0.050 4.290 4.340 0.000 0.000 0.208 154 L C 1.870 178.778 176.870 0.064 0.000 1.085 154 L CA 1.407 56.270 54.840 0.039 0.000 0.755 154 L CB -0.275 41.828 42.059 0.073 0.000 0.904 154 L HN 0.009 nan 8.230 nan 0.000 0.435 155 L N -0.247 121.003 121.223 0.045 0.000 2.179 155 L HA 0.267 4.607 4.340 0.000 0.000 0.208 155 L C 0.828 177.700 176.870 0.003 0.000 1.096 155 L CA 0.419 55.274 54.840 0.025 0.000 0.779 155 L CB -0.785 41.256 42.059 -0.030 0.000 0.922 155 L HN 0.465 nan 8.230 nan 0.000 0.443 156 G N 0.315 109.104 108.800 -0.018 0.000 3.444 156 G HA2 0.164 4.124 3.960 0.000 0.000 0.685 156 G HA3 0.164 4.124 3.960 0.000 0.000 0.685 156 G C -0.654 174.177 174.900 -0.114 0.000 1.145 156 G CA -0.549 44.506 45.100 -0.075 0.000 0.973 156 G HN 0.359 nan 8.290 nan 0.000 0.525 157 A N 2.789 125.535 122.820 -0.122 0.000 2.282 157 A HA 0.885 5.205 4.320 0.000 0.000 0.319 157 A C 0.664 178.110 177.584 -0.230 0.000 1.121 157 A CA -0.440 51.537 52.037 -0.101 0.000 0.836 157 A CB 0.928 19.913 19.000 -0.025 0.000 1.146 157 A HN 0.918 nan 8.150 nan 0.000 0.494 158 H N 0.238 119.307 119.070 -0.003 0.000 3.046 158 H HA 0.167 4.723 4.556 0.000 0.000 0.262 158 H C 0.139 175.450 175.328 -0.029 0.000 1.044 158 H CA 0.746 56.785 56.048 -0.017 0.000 1.209 158 H CB 0.571 30.320 29.762 -0.021 0.000 1.507 158 H HN 0.767 nan 8.280 nan 0.000 0.507 159 R N -0.242 120.292 120.500 0.055 0.000 2.710 159 R HA 0.255 4.595 4.340 0.000 0.000 0.270 159 R C -1.155 175.109 176.300 -0.060 0.000 1.021 159 R CA -0.631 55.455 56.100 -0.023 0.000 0.889 159 R CB 1.176 31.441 30.300 -0.059 0.000 1.243 159 R HN -0.268 nan 8.270 nan 0.000 0.464 160 D N 0.432 120.765 120.400 -0.111 0.000 2.369 160 D HA 0.083 4.723 4.640 0.000 0.000 0.211 160 D C -0.163 175.973 176.300 -0.272 0.000 1.077 160 D CA 0.616 54.562 54.000 -0.091 0.000 0.842 160 D CB 0.737 41.565 40.800 0.047 0.000 0.947 160 D HN 0.583 nan 8.370 nan 0.000 0.509 161 S N -0.896 114.518 115.700 -0.477 0.000 2.570 161 S HA 0.639 5.110 4.470 0.000 0.000 0.270 161 S C -0.956 173.370 174.600 -0.456 0.000 1.149 161 S CA -0.807 56.971 58.200 -0.703 0.000 0.837 161 S CB 2.527 64.708 63.200 -1.697 0.000 1.124 161 S HN -0.180 nan 8.310 nan 0.000 0.465 162 V N 1.750 121.441 119.914 -0.372 0.000 2.709 162 V HA 0.433 4.553 4.120 0.000 0.000 0.308 162 V C -0.351 175.588 176.094 -0.258 0.000 1.062 162 V CA -0.838 61.308 62.300 -0.257 0.000 0.901 162 V CB 1.796 33.539 31.823 -0.133 0.000 1.003 162 V HN 0.997 nan 8.190 nan 0.000 0.425 163 Q N 1.746 121.331 119.800 -0.360 0.000 2.304 163 Q HA 0.186 4.526 4.340 0.000 0.000 0.301 163 Q C -0.290 175.607 176.000 -0.172 0.000 1.063 163 Q CA 0.393 55.918 55.803 -0.464 0.000 0.947 163 Q CB 0.694 28.735 28.738 -1.160 0.000 1.201 163 Q HN 0.731 nan 8.270 nan 0.000 0.389 164 C N 3.631 122.948 119.300 0.027 0.000 2.626 164 C HA 0.739 5.199 4.460 0.000 0.000 0.310 164 C C -1.449 173.754 174.990 0.355 0.000 1.191 164 C CA -0.618 58.521 59.018 0.203 0.000 1.517 164 C CB 0.440 28.225 27.740 0.076 0.000 2.102 164 C HN 0.850 nan 8.230 nan 0.000 0.479 165 Y N 3.921 124.384 120.300 0.271 0.000 2.545 165 Y HA 0.607 5.158 4.550 0.000 0.000 0.348 165 Y C -0.603 175.330 175.900 0.054 0.000 1.002 165 Y CA -1.026 57.145 58.100 0.118 0.000 1.039 165 Y CB 0.873 39.299 38.460 -0.057 0.000 1.271 165 Y HN 0.686 nan 8.280 nan 0.000 0.467 166 N N 1.088 119.804 118.700 0.025 0.000 2.430 166 N HA 0.312 5.052 4.740 0.000 0.000 0.292 166 N C -0.597 174.832 175.510 -0.135 0.000 1.051 166 N CA -0.120 52.877 53.050 -0.089 0.000 0.917 166 N CB 2.176 40.640 38.487 -0.039 0.000 1.164 166 N HN 0.981 nan 8.380 nan 0.000 0.484 167 T N 0.495 114.803 114.554 -0.409 0.000 3.056 167 T HA -0.053 4.297 4.350 0.000 0.000 0.243 167 T C 1.842 176.147 174.700 -0.658 0.000 0.995 167 T CA 0.782 62.553 62.100 -0.549 0.000 1.091 167 T CB -0.295 68.148 68.868 -0.707 0.000 0.990 167 T HN 0.716 nan 8.240 nan 0.000 0.464 168 S N 1.618 116.886 115.700 -0.720 0.000 2.441 168 S HA -0.052 4.418 4.470 0.000 0.000 0.242 168 S C 1.902 176.591 174.600 0.149 0.000 1.018 168 S CA 1.283 59.397 58.200 -0.144 0.000 0.988 168 S CB -0.715 62.393 63.200 -0.153 0.000 0.778 168 S HN 0.513 nan 8.310 nan 0.000 0.498 169 G N -0.265 108.524 108.800 -0.019 0.000 3.434 169 G HA2 0.512 4.472 3.960 0.000 0.000 0.258 169 G HA3 0.512 4.472 3.960 0.000 0.000 0.258 169 G C 0.553 175.424 174.900 -0.048 0.000 1.128 169 G CA 0.012 45.131 45.100 0.032 0.000 0.792 169 G HN 0.638 nan 8.290 nan 0.000 0.539 170 G N -0.020 108.680 108.800 -0.167 0.000 4.110 170 G HA2 0.388 4.348 3.960 0.000 0.000 0.292 170 G HA3 0.388 4.348 3.960 0.000 0.000 0.292 170 G C -0.108 174.638 174.900 -0.256 0.000 1.020 170 G CA -0.491 44.484 45.100 -0.208 0.000 0.808 170 G HN 0.132 nan 8.290 nan 0.000 0.474 171 F N 0.190 120.073 119.950 -0.112 0.000 2.480 171 F HA 0.294 4.821 4.527 0.001 0.000 0.319 171 F C 1.787 177.470 175.800 -0.195 0.000 1.230 171 F CA -0.189 57.738 58.000 -0.121 0.000 1.285 171 F CB 0.890 39.844 39.000 -0.076 0.000 1.208 171 F HN -0.142 nan 8.300 nan 0.000 0.579 172 L N 0.461 121.774 121.223 0.150 0.000 2.478 172 L HA -0.138 4.203 4.340 0.000 0.000 0.223 172 L C 1.755 178.660 176.870 0.059 0.000 1.140 172 L CA 0.588 55.470 54.840 0.071 0.000 0.842 172 L CB -0.666 41.455 42.059 0.105 0.000 0.953 172 L HN 0.722 nan 8.230 nan 0.000 0.452 173 H N -3.213 115.945 119.070 0.146 0.000 2.547 173 H HA 0.114 4.671 4.556 0.000 0.000 0.266 173 H C 0.213 175.594 175.328 0.089 0.000 0.988 173 H CA -0.045 56.057 56.048 0.090 0.000 1.147 173 H CB -0.623 29.175 29.762 0.060 0.000 1.365 173 H HN -0.082 nan 8.280 nan 0.000 0.589 174 T N 4.841 119.251 114.554 -0.240 0.000 2.749 174 T HA 0.232 4.582 4.350 0.000 0.000 0.287 174 T C -2.525 172.159 174.700 -0.027 0.000 0.970 174 T CA -1.547 60.486 62.100 -0.112 0.000 0.980 174 T CB 1.592 70.361 68.868 -0.165 0.000 0.924 174 T HN 0.243 nan 8.240 nan 0.000 0.456 175 P HA 0.030 nan 4.420 nan 0.000 0.266 175 P C 1.059 178.360 177.300 0.000 0.000 1.195 175 P CA -0.536 62.572 63.100 0.014 0.000 0.768 175 P CB 0.765 32.480 31.700 0.025 0.000 0.838 176 L N 3.743 124.965 121.223 -0.002 0.000 2.064 176 L HA -0.276 4.064 4.340 0.000 0.000 0.216 176 L C 1.849 178.714 176.870 -0.008 0.000 1.077 176 L CA 2.803 57.638 54.840 -0.010 0.000 0.766 176 L CB -1.565 40.490 42.059 -0.006 0.000 0.890 176 L HN 0.497 nan 8.230 nan 0.000 0.435 177 D N -2.529 117.871 120.400 -0.000 0.000 2.144 177 D HA -0.249 4.392 4.640 0.000 0.000 0.199 177 D C 1.885 178.186 176.300 0.002 0.000 0.984 177 D CA 1.176 55.176 54.000 0.001 0.000 0.834 177 D CB -0.449 40.355 40.800 0.007 0.000 0.955 177 D HN 0.378 nan 8.370 nan 0.000 0.465 178 Q N 0.194 119.998 119.800 0.007 0.000 2.123 178 Q HA -0.015 4.325 4.340 0.000 0.000 0.199 178 Q C 2.549 178.551 176.000 0.004 0.000 0.966 178 Q CA 0.587 56.398 55.803 0.014 0.000 0.845 178 Q CB -0.221 28.534 28.738 0.029 0.000 0.907 178 Q HN 0.354 nan 8.270 nan 0.000 0.439 179 V N 1.275 121.183 119.914 -0.011 0.000 2.332 179 V HA -0.264 3.856 4.120 0.000 0.000 0.248 179 V C 2.426 178.502 176.094 -0.030 0.000 1.055 179 V CA 1.449 63.733 62.300 -0.026 0.000 1.038 179 V CB -0.620 31.176 31.823 -0.044 0.000 0.651 179 V HN 0.282 nan 8.190 nan 0.000 0.450 180 L N -0.714 120.493 121.223 -0.027 0.000 2.141 180 L HA -0.164 4.176 4.340 0.000 0.000 0.209 180 L C 2.578 179.431 176.870 -0.029 0.000 1.094 180 L CA 1.516 56.337 54.840 -0.032 0.000 0.763 180 L CB -0.574 41.470 42.059 -0.026 0.000 0.908 180 L HN 0.290 nan 8.230 nan 0.000 0.437 181 K N -0.126 120.265 120.400 -0.014 0.000 2.097 181 K HA -0.106 4.214 4.320 0.000 0.000 0.205 181 K C 1.831 178.427 176.600 -0.007 0.000 1.050 181 K CA 1.065 57.347 56.287 -0.008 0.000 0.938 181 K CB -0.107 32.396 32.500 0.006 0.000 0.718 181 K HN 0.320 nan 8.250 nan 0.000 0.442 182 N N 0.657 119.355 118.700 -0.004 0.000 2.244 182 N HA -0.107 4.633 4.740 0.000 0.000 0.183 182 N C 1.869 177.366 175.510 -0.022 0.000 1.016 182 N CA 0.742 53.793 53.050 0.002 0.000 0.866 182 N CB -0.297 38.198 38.487 0.013 0.000 0.980 182 N HN -0.062 nan 8.380 nan 0.000 0.430 183 V N 1.035 120.924 119.914 -0.042 0.000 2.255 183 V HA -0.182 3.938 4.120 0.000 0.000 0.247 183 V C 2.437 178.475 176.094 -0.095 0.000 1.051 183 V CA 1.457 63.714 62.300 -0.073 0.000 1.018 183 V CB -0.753 31.015 31.823 -0.092 0.000 0.641 183 V HN 0.130 nan 8.190 nan 0.000 0.445 184 V N -0.061 119.804 119.914 -0.081 0.000 2.287 184 V HA -0.285 3.836 4.120 0.000 0.000 0.248 184 V C 2.176 178.235 176.094 -0.058 0.000 1.053 184 V CA 2.465 64.717 62.300 -0.080 0.000 1.027 184 V CB -0.323 31.467 31.823 -0.056 0.000 0.646 184 V HN 0.493 nan 8.190 nan 0.000 0.447 185 I N 0.005 120.555 120.570 -0.033 0.000 2.151 185 I HA -0.263 3.907 4.170 0.000 0.000 0.243 185 I C 2.652 178.756 176.117 -0.022 0.000 1.080 185 I CA 2.128 63.419 61.300 -0.015 0.000 1.339 185 I CB -0.615 37.388 38.000 0.006 0.000 1.039 185 I HN 0.327 nan 8.210 nan 0.000 0.409 186 S N 0.269 115.950 115.700 -0.030 0.000 2.382 186 S HA -0.139 4.331 4.470 0.000 0.000 0.228 186 S C 2.019 176.603 174.600 -0.026 0.000 1.027 186 S CA 1.172 59.352 58.200 -0.035 0.000 0.991 186 S CB -0.231 62.954 63.200 -0.025 0.000 0.823 186 S HN 0.389 nan 8.310 nan 0.000 0.469 187 R N 0.990 121.451 120.500 -0.066 0.000 2.073 187 R HA 0.025 4.366 4.340 0.000 0.000 0.229 187 R C 2.001 178.280 176.300 -0.035 0.000 1.120 187 R CA 0.923 56.972 56.100 -0.084 0.000 0.967 187 R CB -0.270 29.886 30.300 -0.242 0.000 0.862 187 R HN 0.296 nan 8.270 nan 0.000 0.436 188 E N 0.682 120.859 120.200 -0.038 0.000 2.265 188 E HA -0.118 4.232 4.350 0.000 0.000 0.196 188 E C 1.003 177.603 176.600 0.000 0.000 0.996 188 E CA 0.827 57.217 56.400 -0.017 0.000 0.832 188 E CB -0.198 29.492 29.700 -0.016 0.000 0.756 188 E HN 0.335 nan 8.360 nan 0.000 0.491 189 N N -0.193 118.507 118.700 -0.001 0.000 2.270 189 N HA 0.040 4.780 4.740 0.000 0.000 0.198 189 N C 0.558 176.079 175.510 0.019 0.000 1.117 189 N CA 0.703 53.756 53.050 0.005 0.000 0.845 189 N CB 1.087 39.567 38.487 -0.012 0.000 0.980 189 N HN 0.191 nan 8.380 nan 0.000 0.486 190 G N 1.749 110.573 108.800 0.039 0.000 2.171 190 G HA2 -0.262 3.699 3.960 0.000 0.000 0.238 190 G HA3 -0.262 3.699 3.960 0.000 0.000 0.238 190 G C 0.011 174.970 174.900 0.098 0.000 1.039 190 G CA -0.233 44.913 45.100 0.077 0.000 0.759 190 G HN 0.302 nan 8.290 nan 0.000 0.501 191 I N 0.727 121.361 120.570 0.107 0.000 2.696 191 I HA 0.579 4.749 4.170 0.000 0.000 0.284 191 I C 1.503 177.787 176.117 0.278 0.000 1.129 191 I CA 0.652 62.033 61.300 0.134 0.000 1.410 191 I CB 1.327 39.392 38.000 0.108 0.000 1.399 191 I HN 0.148 nan 8.210 nan 0.000 0.579 192 G N 4.529 113.448 108.800 0.198 0.000 3.088 192 G HA2 0.533 4.494 3.960 0.000 0.000 0.217 192 G HA3 0.533 4.494 3.960 0.000 0.000 0.217 192 G C 0.319 175.161 174.900 -0.097 0.000 1.159 192 G CA 0.478 45.640 45.100 0.104 0.000 0.760 192 G HN 1.016 nan 8.290 nan 0.000 0.550 193 G N -0.523 108.304 108.800 0.046 0.000 2.523 193 G HA2 0.472 4.432 3.960 0.000 0.000 0.291 193 G HA3 0.472 4.432 3.960 0.000 0.000 0.291 193 G C -1.986 172.994 174.900 0.134 0.000 1.450 193 G CA -0.636 44.369 45.100 -0.158 0.000 0.790 193 G HN 0.000 nan 8.290 nan 0.000 0.496 194 I N 0.487 121.065 120.570 0.012 0.000 2.533 194 I HA 0.491 4.661 4.170 0.000 0.000 0.290 194 I C -0.469 175.540 176.117 -0.181 0.000 1.056 194 I CA -0.886 60.429 61.300 0.025 0.000 1.057 194 I CB 2.033 40.085 38.000 0.086 0.000 1.240 194 I HN 0.518 nan 8.210 nan 0.000 0.423 195 K N 5.866 126.186 120.400 -0.133 0.000 2.323 195 K HA 0.529 4.849 4.320 0.000 0.000 0.259 195 K C -1.672 174.792 176.600 -0.227 0.000 0.947 195 K CA -0.660 55.473 56.287 -0.256 0.000 0.819 195 K CB 2.064 34.476 32.500 -0.147 0.000 1.109 195 K HN 0.439 nan 8.250 nan 0.000 0.429 196 L N 3.783 124.860 121.223 -0.243 0.000 2.282 196 L HA 0.477 4.818 4.340 0.000 0.000 0.288 196 L C -0.738 176.008 176.870 -0.206 0.000 1.033 196 L CA -0.085 54.624 54.840 -0.218 0.000 0.807 196 L CB 1.291 43.230 42.059 -0.200 0.000 1.209 196 L HN 0.727 nan 8.230 nan 0.000 0.423 197 A N 5.702 128.392 122.820 -0.216 0.000 2.404 197 A HA 0.588 4.908 4.320 0.000 0.000 0.273 197 A C -0.048 177.466 177.584 -0.116 0.000 1.144 197 A CA 0.236 52.174 52.037 -0.165 0.000 0.806 197 A CB -0.101 18.813 19.000 -0.143 0.000 1.080 197 A HN 1.039 nan 8.150 nan 0.000 0.509 198 V N 0.003 119.830 119.914 -0.145 0.000 3.271 198 V HA 0.972 5.092 4.120 0.000 0.000 0.305 198 V C 0.880 176.821 176.094 -0.255 0.000 1.303 198 V CA -0.305 61.917 62.300 -0.130 0.000 1.038 198 V CB 0.605 32.385 31.823 -0.071 0.000 1.197 198 V HN 2.427 nan 8.190 nan 0.000 0.478 199 G N 0.543 109.178 108.800 -0.274 0.000 2.130 199 G HA2 -0.170 3.791 3.960 0.000 0.000 0.216 199 G HA3 -0.170 3.791 3.960 0.000 0.000 0.216 199 G C 0.022 174.844 174.900 -0.129 0.000 0.999 199 G CA 0.411 45.192 45.100 -0.532 0.000 0.686 199 G HN 1.459 nan 8.290 nan 0.000 0.515 200 Q N -0.489 119.326 119.800 0.025 0.000 2.260 200 Q HA 0.649 4.990 4.340 0.000 0.000 0.242 200 Q C -1.413 174.658 176.000 0.118 0.000 0.932 200 Q CA -1.339 54.499 55.803 0.058 0.000 0.891 200 Q CB 1.464 30.235 28.738 0.055 0.000 1.222 200 Q HN 0.082 nan 8.270 nan 0.000 0.453 201 P HA -0.262 nan 4.420 nan 0.000 0.218 201 P C -0.277 177.084 177.300 0.101 0.000 1.154 201 P CA 1.730 64.890 63.100 0.099 0.000 0.872 201 P CB 0.036 31.776 31.700 0.068 0.000 0.790 202 N N -0.848 117.904 118.700 0.086 0.000 2.448 202 N HA 0.034 4.774 4.740 0.000 0.000 0.250 202 N C 0.585 176.153 175.510 0.097 0.000 1.136 202 N CA -0.525 52.571 53.050 0.075 0.000 0.953 202 N CB 0.040 38.561 38.487 0.057 0.000 1.251 202 N HN 0.010 nan 8.380 nan 0.000 0.502 203 C N 2.503 121.865 119.300 0.103 0.000 2.440 203 C HA -0.096 4.364 4.460 0.000 0.000 0.278 203 C C 2.694 177.734 174.990 0.084 0.000 1.295 203 C CA 0.845 59.933 59.018 0.118 0.000 1.738 203 C CB -1.295 26.483 27.740 0.063 0.000 1.987 203 C HN 0.910 nan 8.230 nan 0.000 0.492 204 A N 0.730 123.584 122.820 0.058 0.000 1.908 204 A HA -0.242 4.078 4.320 0.000 0.000 0.218 204 A C 2.035 179.650 177.584 0.051 0.000 1.181 204 A CA 2.301 54.366 52.037 0.047 0.000 0.627 204 A CB -0.547 18.474 19.000 0.035 0.000 0.818 204 A HN 0.577 nan 8.150 nan 0.000 0.445 205 E N 0.583 120.815 120.200 0.052 0.000 2.047 205 E HA -0.175 4.175 4.350 0.000 0.000 0.191 205 E C 1.458 178.084 176.600 0.042 0.000 0.987 205 E CA 1.642 58.068 56.400 0.044 0.000 0.799 205 E CB -0.345 29.380 29.700 0.042 0.000 0.752 205 E HN 0.525 nan 8.360 nan 0.000 0.449 206 D N 0.061 120.499 120.400 0.063 0.000 2.158 206 D HA -0.165 4.475 4.640 0.000 0.000 0.197 206 D C 1.841 178.159 176.300 0.031 0.000 0.995 206 D CA 0.945 54.979 54.000 0.056 0.000 0.846 206 D CB -0.096 40.781 40.800 0.129 0.000 0.941 206 D HN 0.266 nan 8.370 nan 0.000 0.456 207 I N 0.703 121.309 120.570 0.061 0.000 2.315 207 I HA -0.171 4.000 4.170 0.000 0.000 0.248 207 I C 2.492 178.643 176.117 0.057 0.000 1.117 207 I CA 0.699 62.045 61.300 0.075 0.000 1.404 207 I CB -0.879 37.186 38.000 0.108 0.000 1.071 207 I HN 0.031 nan 8.210 nan 0.000 0.419 208 R N 1.476 122.003 120.500 0.044 0.000 2.088 208 R HA -0.172 4.168 4.340 0.000 0.000 0.232 208 R C 2.523 178.826 176.300 0.006 0.000 1.136 208 R CA 1.697 57.818 56.100 0.034 0.000 0.926 208 R CB -0.184 30.133 30.300 0.028 0.000 0.837 208 R HN 0.194 nan 8.270 nan 0.000 0.429 209 R N 0.212 120.704 120.500 -0.013 0.000 2.103 209 R HA -0.182 4.158 4.340 0.000 0.000 0.242 209 R C 2.389 178.635 176.300 -0.090 0.000 1.142 209 R CA 1.662 57.737 56.100 -0.041 0.000 0.960 209 R CB -0.608 29.667 30.300 -0.042 0.000 0.858 209 R HN 0.242 nan 8.270 nan 0.000 0.439 210 L N 0.884 122.022 121.223 -0.142 0.000 2.017 210 L HA -0.158 4.182 4.340 0.000 0.000 0.208 210 L C 2.325 178.998 176.870 -0.329 0.000 1.073 210 L CA 2.341 56.987 54.840 -0.323 0.000 0.745 210 L CB -0.838 40.920 42.059 -0.501 0.000 0.894 210 L HN 0.332 nan 8.230 nan 0.000 0.432 211 T N -3.096 111.403 114.554 -0.092 0.000 2.867 211 T HA -0.081 4.269 4.350 0.000 0.000 0.268 211 T C 1.884 176.631 174.700 0.078 0.000 1.057 211 T CA 0.931 63.130 62.100 0.165 0.000 1.136 211 T CB -0.837 68.178 68.868 0.245 0.000 0.874 211 T HN 0.350 nan 8.240 nan 0.000 0.466 212 A N 1.047 123.875 122.820 0.013 0.000 1.930 212 A HA 0.135 4.455 4.320 0.000 0.000 0.217 212 A C 2.577 180.151 177.584 -0.017 0.000 1.175 212 A CA 1.341 53.379 52.037 0.002 0.000 0.627 212 A CB -0.885 18.109 19.000 -0.009 0.000 0.815 212 A HN 0.420 nan 8.150 nan 0.000 0.443 213 V N 0.057 119.940 119.914 -0.051 0.000 2.323 213 V HA -0.170 3.950 4.120 0.000 0.000 0.244 213 V C 2.621 178.696 176.094 -0.033 0.000 1.041 213 V CA 2.103 64.366 62.300 -0.062 0.000 1.025 213 V CB -0.775 30.985 31.823 -0.105 0.000 0.656 213 V HN 0.632 nan 8.190 nan 0.000 0.451 214 R N 0.686 121.176 120.500 -0.018 0.000 2.127 214 R HA -0.151 4.189 4.340 0.000 0.000 0.238 214 R C 2.095 178.438 176.300 0.071 0.000 1.134 214 R CA 1.559 57.697 56.100 0.064 0.000 0.975 214 R CB -0.615 29.815 30.300 0.217 0.000 0.865 214 R HN 0.455 nan 8.270 nan 0.000 0.447 215 E N 0.142 120.377 120.200 0.059 0.000 2.031 215 E HA -0.128 4.222 4.350 0.000 0.000 0.193 215 E C 1.832 178.439 176.600 0.012 0.000 0.994 215 E CA 1.628 58.053 56.400 0.041 0.000 0.800 215 E CB -0.423 29.298 29.700 0.036 0.000 0.752 215 E HN 0.424 nan 8.360 nan 0.000 0.447 216 A N 1.105 123.920 122.820 -0.008 0.000 1.877 216 A HA -0.141 4.179 4.320 0.000 0.000 0.216 216 A C 2.406 179.955 177.584 -0.059 0.000 1.186 216 A CA 1.234 53.249 52.037 -0.036 0.000 0.620 216 A CB -0.766 18.203 19.000 -0.051 0.000 0.822 216 A HN 0.224 nan 8.150 nan 0.000 0.443 217 L N -1.335 119.855 121.223 -0.055 0.000 2.275 217 L HA 0.148 4.488 4.340 0.000 0.000 0.215 217 L C 1.483 178.355 176.870 0.004 0.000 1.119 217 L CA 0.491 55.285 54.840 -0.077 0.000 0.790 217 L CB -1.144 40.929 42.059 0.024 0.000 0.919 217 L HN 0.718 nan 8.230 nan 0.000 0.443 218 G N -0.168 108.650 108.800 0.030 0.000 2.660 218 G HA2 -0.220 3.740 3.960 0.000 0.000 0.247 218 G HA3 -0.220 3.740 3.960 0.000 0.000 0.247 218 G C -0.147 174.800 174.900 0.079 0.000 1.328 218 G CA -0.116 45.013 45.100 0.048 0.000 0.884 218 G HN 0.099 nan 8.290 nan 0.000 0.531 219 D N 0.097 120.540 120.400 0.071 0.000 2.213 219 D HA -0.012 4.628 4.640 0.000 0.000 0.205 219 D C 2.076 178.424 176.300 0.080 0.000 0.961 219 D CA 1.361 55.404 54.000 0.071 0.000 0.853 219 D CB 0.172 41.001 40.800 0.047 0.000 0.967 219 D HN 0.451 nan 8.370 nan 0.000 0.496 220 E N 0.516 120.773 120.200 0.096 0.000 2.122 220 E HA -0.032 4.318 4.350 0.000 0.000 0.190 220 E C 0.622 177.290 176.600 0.112 0.000 0.977 220 E CA -0.249 56.207 56.400 0.093 0.000 0.820 220 E CB -0.504 29.250 29.700 0.091 0.000 0.770 220 E HN 0.169 nan 8.360 nan 0.000 0.462 221 F N 3.553 123.511 119.950 0.013 0.000 2.549 221 F HA -0.004 4.523 4.527 0.000 0.000 0.400 221 F C -1.879 173.906 175.800 -0.025 0.000 1.011 221 F CA -1.931 56.074 58.000 0.009 0.000 1.148 221 F CB 0.261 39.259 39.000 -0.003 0.000 0.993 221 F HN -0.194 nan 8.300 nan 0.000 0.540 222 P HA 0.020 nan 4.420 nan 0.000 0.258 222 P C -1.079 175.948 177.300 -0.456 0.000 1.187 222 P CA 0.316 63.158 63.100 -0.430 0.000 0.767 222 P CB 0.478 31.956 31.700 -0.370 0.000 0.770 223 L N 5.511 126.502 121.223 -0.387 0.000 2.381 223 L HA 0.712 5.052 4.340 0.000 0.000 0.268 223 L C -0.818 175.705 176.870 -0.578 0.000 0.997 223 L CA -0.585 54.031 54.840 -0.372 0.000 0.818 223 L CB 1.599 43.550 42.059 -0.179 0.000 1.310 223 L HN 0.260 nan 8.230 nan 0.000 0.416 224 M N 4.652 123.843 119.600 -0.682 0.000 2.618 224 M HA 0.778 5.258 4.480 0.000 0.000 0.281 224 M C -1.176 174.808 176.300 -0.527 0.000 1.267 224 M CA -0.845 53.950 55.300 -0.842 0.000 0.845 224 M CB 1.394 32.949 32.600 -1.743 0.000 1.732 224 M HN 0.434 nan 8.290 nan 0.000 0.461 225 V N -1.399 118.300 119.914 -0.359 0.000 3.001 225 V HA 0.928 5.048 4.120 0.000 0.000 0.314 225 V C -1.688 174.359 176.094 -0.079 0.000 1.099 225 V CA -0.443 61.741 62.300 -0.194 0.000 0.989 225 V CB 2.177 33.927 31.823 -0.122 0.000 1.040 225 V HN 0.982 nan 8.190 nan 0.000 0.434 226 D N 1.492 121.830 120.400 -0.103 0.000 2.736 226 D HA 0.717 5.358 4.640 0.000 0.000 0.243 226 D C 0.261 176.438 176.300 -0.205 0.000 1.304 226 D CA 0.189 54.140 54.000 -0.082 0.000 0.934 226 D CB 2.090 42.882 40.800 -0.014 0.000 1.382 226 D HN 0.910 nan 8.370 nan 0.000 0.571 227 A N 3.661 126.282 122.820 -0.332 0.000 2.275 227 A HA 0.134 4.454 4.320 0.000 0.000 0.212 227 A C 0.812 178.183 177.584 -0.355 0.000 1.201 227 A CA -0.077 51.602 52.037 -0.596 0.000 0.843 227 A CB -0.339 17.919 19.000 -1.238 0.000 0.873 227 A HN 0.703 nan 8.150 nan 0.000 0.492 228 N N 0.365 118.959 118.700 -0.176 0.000 2.714 228 N HA -0.247 4.493 4.740 0.000 0.000 0.252 228 N C -0.325 175.134 175.510 -0.085 0.000 1.014 228 N CA 1.282 54.281 53.050 -0.086 0.000 0.735 228 N CB -1.354 37.117 38.487 -0.027 0.000 0.924 228 N HN 0.796 nan 8.380 nan 0.000 0.540 229 Q N -2.922 116.826 119.800 -0.087 0.000 2.452 229 Q HA -0.264 4.076 4.340 0.000 0.000 0.248 229 Q C 0.071 176.043 176.000 -0.046 0.000 0.874 229 Q CA 1.063 56.846 55.803 -0.033 0.000 1.208 229 Q CB -0.890 27.851 28.738 0.005 0.000 1.569 229 Q HN 0.458 nan 8.270 nan 0.000 0.579 230 Q N -0.952 118.761 119.800 -0.145 0.000 2.280 230 Q HA 0.067 4.408 4.340 0.000 0.000 0.202 230 Q C -0.117 175.900 176.000 0.028 0.000 0.903 230 Q CA 0.614 56.359 55.803 -0.096 0.000 0.948 230 Q CB 0.355 29.010 28.738 -0.140 0.000 1.058 230 Q HN 0.297 nan 8.270 nan 0.000 0.493 231 W N 1.962 123.264 121.300 0.004 0.000 2.639 231 W HA 0.250 4.910 4.660 0.000 0.000 0.347 231 W C 0.106 176.612 176.519 -0.021 0.000 1.067 231 W CA -1.685 55.656 57.345 -0.007 0.000 1.218 231 W CB 0.900 30.354 29.460 -0.010 0.000 1.393 231 W HN -0.001 nan 8.180 nan 0.000 0.557 232 D N -0.258 120.267 120.400 0.207 0.000 2.432 232 D HA 0.304 4.944 4.640 0.000 0.000 0.258 232 D C 1.121 177.450 176.300 0.049 0.000 1.146 232 D CA -0.502 53.552 54.000 0.089 0.000 1.015 232 D CB 0.998 41.829 40.800 0.051 0.000 1.107 232 D HN 0.225 nan 8.370 nan 0.000 0.529 233 R N -0.232 120.271 120.500 0.006 0.000 2.096 233 R HA -0.187 4.153 4.340 0.000 0.000 0.240 233 R C 1.781 178.053 176.300 -0.046 0.000 1.139 233 R CA 1.800 57.886 56.100 -0.023 0.000 0.952 233 R CB -0.352 29.931 30.300 -0.028 0.000 0.854 233 R HN 0.558 nan 8.270 nan 0.000 0.436 234 E N -0.290 119.882 120.200 -0.046 0.000 2.038 234 E HA -0.163 4.187 4.350 0.000 0.000 0.195 234 E C 2.082 178.607 176.600 -0.126 0.000 1.000 234 E CA 2.076 58.434 56.400 -0.069 0.000 0.803 234 E CB -0.407 29.263 29.700 -0.051 0.000 0.750 234 E HN 0.267 nan 8.360 nan 0.000 0.448 235 T N 0.826 115.288 114.554 -0.154 0.000 2.746 235 T HA -0.179 4.171 4.350 0.000 0.000 0.267 235 T C 1.943 176.329 174.700 -0.524 0.000 1.039 235 T CA 1.278 63.184 62.100 -0.324 0.000 1.142 235 T CB -0.518 68.160 68.868 -0.317 0.000 0.866 235 T HN 0.304 nan 8.240 nan 0.000 0.444 236 A N 1.680 124.304 122.820 -0.326 0.000 1.849 236 A HA -0.141 4.179 4.320 0.000 0.000 0.217 236 A C 2.283 179.722 177.584 -0.241 0.000 1.202 236 A CA 1.867 53.758 52.037 -0.244 0.000 0.629 236 A CB -1.062 17.953 19.000 0.025 0.000 0.834 236 A HN 0.417 nan 8.150 nan 0.000 0.447 237 I N -0.268 120.217 120.570 -0.142 0.000 2.208 237 I HA -0.236 3.934 4.170 0.000 0.000 0.245 237 I C 2.422 178.455 176.117 -0.140 0.000 1.097 237 I CA 2.134 63.371 61.300 -0.104 0.000 1.363 237 I CB -0.464 37.495 38.000 -0.068 0.000 1.051 237 I HN 0.462 nan 8.210 nan 0.000 0.413 238 R N -0.280 120.109 120.500 -0.185 0.000 2.088 238 R HA -0.201 4.139 4.340 0.000 0.000 0.232 238 R C 2.261 178.432 176.300 -0.215 0.000 1.136 238 R CA 2.154 58.147 56.100 -0.179 0.000 0.926 238 R CB -0.285 29.902 30.300 -0.189 0.000 0.837 238 R HN 0.235 nan 8.270 nan 0.000 0.429 239 M N -0.053 119.319 119.600 -0.381 0.000 2.080 239 M HA -0.082 4.398 4.480 0.000 0.000 0.260 239 M C 2.396 178.577 176.300 -0.197 0.000 1.068 239 M CA 1.910 56.974 55.300 -0.394 0.000 1.109 239 M CB -1.383 30.651 32.600 -0.943 0.000 1.342 239 M HN 0.502 nan 8.290 nan 0.000 0.405 240 G N -0.444 108.243 108.800 -0.188 0.000 2.446 240 G HA2 -0.271 3.689 3.960 0.000 0.000 0.217 240 G HA3 -0.271 3.689 3.960 0.000 0.000 0.217 240 G C 1.783 176.680 174.900 -0.006 0.000 1.168 240 G CA 1.195 46.279 45.100 -0.027 0.000 0.771 240 G HN 0.397 nan 8.290 nan 0.000 0.551 241 R N 0.435 120.910 120.500 -0.040 0.000 2.120 241 R HA -0.007 4.333 4.340 0.000 0.000 0.234 241 R C 2.440 178.726 176.300 -0.023 0.000 1.123 241 R CA 1.751 57.834 56.100 -0.028 0.000 0.975 241 R CB -0.206 30.067 30.300 -0.044 0.000 0.866 241 R HN 0.401 nan 8.270 nan 0.000 0.446 242 K N -0.231 120.154 120.400 -0.026 0.000 2.116 242 K HA -0.045 4.276 4.320 0.000 0.000 0.203 242 K C 1.657 178.283 176.600 0.043 0.000 1.052 242 K CA 1.199 57.481 56.287 -0.009 0.000 0.952 242 K CB 0.083 32.578 32.500 -0.007 0.000 0.729 242 K HN 0.189 nan 8.250 nan 0.000 0.446 243 M N 1.181 120.855 119.600 0.123 0.000 2.686 243 M HA -0.045 4.435 4.480 0.000 0.000 0.246 243 M C 0.982 177.406 176.300 0.206 0.000 1.096 243 M CA 0.665 56.151 55.300 0.310 0.000 1.076 243 M CB 0.169 32.935 32.600 0.276 0.000 1.504 243 M HN 0.077 nan 8.290 nan 0.000 0.524 244 E N 1.056 121.291 120.200 0.059 0.000 2.267 244 E HA -0.210 4.140 4.350 0.000 0.000 0.197 244 E C 1.410 177.982 176.600 -0.047 0.000 0.998 244 E CA 0.950 57.361 56.400 0.020 0.000 0.830 244 E CB -0.292 29.405 29.700 -0.005 0.000 0.751 244 E HN 0.720 nan 8.360 nan 0.000 0.491 245 Q N -0.768 118.922 119.800 -0.184 0.000 2.265 245 Q HA 0.048 4.389 4.340 0.000 0.000 0.217 245 Q C 0.208 175.847 176.000 -0.600 0.000 0.916 245 Q CA 0.170 55.745 55.803 -0.381 0.000 0.948 245 Q CB -0.054 28.387 28.738 -0.496 0.000 1.020 245 Q HN 0.107 nan 8.270 nan 0.000 0.462 246 F N 0.227 120.165 119.950 -0.019 0.000 2.871 246 F HA 0.288 4.815 4.527 0.000 0.000 0.344 246 F C -0.266 175.510 175.800 -0.040 0.000 1.078 246 F CA -0.854 57.129 58.000 -0.029 0.000 1.149 246 F CB 0.236 39.215 39.000 -0.036 0.000 1.087 246 F HN 0.144 nan 8.300 nan 0.000 0.557 247 N N 2.167 120.929 118.700 0.103 0.000 2.667 247 N HA -0.197 4.543 4.740 0.000 0.000 0.263 247 N C -0.652 174.870 175.510 0.020 0.000 1.038 247 N CA -0.171 52.909 53.050 0.050 0.000 0.749 247 N CB -1.118 37.388 38.487 0.032 0.000 0.892 247 N HN 0.227 nan 8.380 nan 0.000 0.546 248 L N 0.815 122.045 121.223 0.011 0.000 2.436 248 L HA 0.156 4.496 4.340 0.000 0.000 0.265 248 L C 2.044 178.810 176.870 -0.173 0.000 1.168 248 L CA -0.777 53.993 54.840 -0.116 0.000 0.815 248 L CB 0.419 42.411 42.059 -0.110 0.000 1.109 248 L HN 0.227 nan 8.230 nan 0.000 0.462 249 I N 0.484 120.812 120.570 -0.403 0.000 2.394 249 I HA -0.107 4.063 4.170 0.000 0.000 0.251 249 I C 0.267 176.229 176.117 -0.257 0.000 1.136 249 I CA 1.298 62.335 61.300 -0.438 0.000 1.425 249 I CB -0.725 36.668 38.000 -1.011 0.000 1.079 249 I HN 0.802 nan 8.210 nan 0.000 0.425 250 W N -0.418 120.652 121.300 -0.382 0.000 2.986 250 W HA 0.552 5.212 4.660 0.000 0.000 0.345 250 W C -2.091 174.294 176.519 -0.223 0.000 1.191 250 W CA -1.661 55.498 57.345 -0.310 0.000 1.170 250 W CB -0.225 28.901 29.460 -0.556 0.000 1.438 250 W HN -0.265 nan 8.180 nan 0.000 0.567 251 I N 2.309 123.063 120.570 0.307 0.000 2.382 251 I HA 0.272 4.442 4.170 0.000 0.000 0.286 251 I C -0.227 176.035 176.117 0.242 0.000 1.002 251 I CA -0.836 60.607 61.300 0.239 0.000 1.135 251 I CB 1.720 39.849 38.000 0.215 0.000 1.288 251 I HN 0.535 nan 8.210 nan 0.000 0.448 252 E N 6.281 126.612 120.200 0.218 0.000 2.216 252 E HA 0.199 4.549 4.350 0.000 0.000 0.279 252 E C -0.430 176.175 176.600 0.009 0.000 0.997 252 E CA -0.407 56.023 56.400 0.050 0.000 0.817 252 E CB 0.839 30.591 29.700 0.087 0.000 1.096 252 E HN 0.495 nan 8.360 nan 0.000 0.393 253 E N 2.938 123.135 120.200 -0.006 0.000 2.149 253 E HA -0.183 4.167 4.350 0.000 0.000 0.191 253 E C -1.813 174.840 176.600 0.087 0.000 1.384 253 E CA 0.085 56.518 56.400 0.055 0.000 0.698 253 E CB -0.420 29.260 29.700 -0.034 0.000 1.086 253 E HN 0.532 nan 8.360 nan 0.000 0.338 254 P HA -0.113 nan 4.420 nan 0.000 0.221 254 P C 0.613 178.000 177.300 0.145 0.000 1.150 254 P CA 1.261 64.485 63.100 0.207 0.000 0.800 254 P CB 0.364 32.274 31.700 0.350 0.000 0.787 255 L N -1.654 119.585 121.223 0.028 0.000 2.230 255 L HA 0.450 4.790 4.340 0.000 0.000 0.255 255 L C 0.151 177.054 176.870 0.055 0.000 1.039 255 L CA -1.374 53.421 54.840 -0.074 0.000 0.846 255 L CB 0.393 42.224 42.059 -0.381 0.000 1.419 255 L HN -0.322 nan 8.230 nan 0.000 0.435 256 D N 0.176 120.602 120.400 0.042 0.000 2.525 256 D HA 0.091 4.731 4.640 0.000 0.000 0.235 256 D C 0.933 177.326 176.300 0.155 0.000 1.137 256 D CA 0.769 54.825 54.000 0.094 0.000 0.868 256 D CB 1.444 42.299 40.800 0.092 0.000 1.180 256 D HN 0.614 nan 8.370 nan 0.000 0.465 257 A N 3.438 126.296 122.820 0.063 0.000 2.084 257 A HA -0.200 4.120 4.320 0.000 0.000 0.221 257 A C 1.291 178.674 177.584 -0.336 0.000 1.161 257 A CA 1.260 53.204 52.037 -0.155 0.000 0.653 257 A CB -0.601 18.218 19.000 -0.300 0.000 0.802 257 A HN 0.762 nan 8.150 nan 0.000 0.457 258 Y N -1.096 119.212 120.300 0.013 0.000 2.458 258 Y HA 0.165 4.715 4.550 0.000 0.000 0.256 258 Y C 0.532 176.449 175.900 0.028 0.000 1.159 258 Y CA -0.551 57.545 58.100 -0.008 0.000 1.261 258 Y CB 0.434 38.877 38.460 -0.027 0.000 1.119 258 Y HN 0.194 nan 8.280 nan 0.000 0.524 259 D N 1.262 121.763 120.400 0.167 0.000 2.551 259 D HA 0.092 4.732 4.640 0.000 0.000 0.223 259 D C 1.148 177.541 176.300 0.155 0.000 1.144 259 D CA 0.297 54.364 54.000 0.111 0.000 1.025 259 D CB -0.302 40.506 40.800 0.013 0.000 1.085 259 D HN 0.326 nan 8.370 nan 0.000 0.506 260 I N 1.139 121.773 120.570 0.107 0.000 2.142 260 I HA -0.253 3.917 4.170 0.000 0.000 0.240 260 I C 2.147 178.307 176.117 0.070 0.000 1.078 260 I CA 0.962 62.309 61.300 0.078 0.000 1.343 260 I CB -0.062 37.950 38.000 0.021 0.000 1.046 260 I HN 0.304 nan 8.210 nan 0.000 0.405 261 E N 0.827 121.051 120.200 0.040 0.000 2.153 261 E HA -0.167 4.184 4.350 0.000 0.000 0.194 261 E C 2.296 178.905 176.600 0.015 0.000 0.988 261 E CA 1.139 57.553 56.400 0.024 0.000 0.811 261 E CB -0.299 29.409 29.700 0.013 0.000 0.746 261 E HN 0.625 nan 8.360 nan 0.000 0.466 262 G N 0.706 109.502 108.800 -0.007 0.000 2.418 262 G HA2 -0.250 3.710 3.960 0.000 0.000 0.217 262 G HA3 -0.250 3.710 3.960 0.000 0.000 0.217 262 G C 1.329 176.177 174.900 -0.086 0.000 1.158 262 G CA 0.659 45.719 45.100 -0.067 0.000 0.771 262 G HN 0.268 nan 8.290 nan 0.000 0.545 263 H N 0.758 119.828 119.070 0.001 0.000 2.326 263 H HA 0.035 4.591 4.556 0.000 0.000 0.301 263 H C 3.025 178.353 175.328 -0.000 0.000 1.081 263 H CA 1.241 57.288 56.048 -0.001 0.000 1.334 263 H CB -0.460 29.284 29.762 -0.030 0.000 1.385 263 H HN 0.361 nan 8.280 nan 0.000 0.504 264 A N 1.156 124.047 122.820 0.118 0.000 1.892 264 A HA -0.283 4.037 4.320 0.000 0.000 0.218 264 A C 2.422 180.032 177.584 0.044 0.000 1.188 264 A CA 2.182 54.255 52.037 0.061 0.000 0.631 264 A CB -0.813 18.209 19.000 0.037 0.000 0.822 264 A HN 0.537 nan 8.150 nan 0.000 0.447 265 Q N -1.183 118.635 119.800 0.031 0.000 2.096 265 Q HA -0.186 4.154 4.340 0.000 0.000 0.204 265 Q C 1.932 177.945 176.000 0.021 0.000 0.982 265 Q CA 1.694 57.507 55.803 0.016 0.000 0.850 265 Q CB -0.228 28.511 28.738 0.001 0.000 0.901 265 Q HN 0.454 nan 8.270 nan 0.000 0.422 266 L N 0.553 121.793 121.223 0.027 0.000 2.027 266 L HA -0.075 4.265 4.340 0.000 0.000 0.206 266 L C 2.399 179.304 176.870 0.057 0.000 1.074 266 L CA 2.074 56.937 54.840 0.038 0.000 0.745 266 L CB -1.100 40.990 42.059 0.050 0.000 0.898 266 L HN 0.343 nan 8.230 nan 0.000 0.433 267 A N -1.120 121.743 122.820 0.072 0.000 1.972 267 A HA -0.108 4.212 4.320 0.000 0.000 0.219 267 A C 2.376 179.991 177.584 0.052 0.000 1.169 267 A CA 1.681 53.761 52.037 0.071 0.000 0.635 267 A CB -0.788 18.254 19.000 0.069 0.000 0.810 267 A HN 0.435 nan 8.150 nan 0.000 0.446 268 A N -0.725 122.118 122.820 0.039 0.000 2.016 268 A HA 0.396 4.716 4.320 0.000 0.000 0.217 268 A C 2.285 179.884 177.584 0.025 0.000 1.162 268 A CA 1.420 53.474 52.037 0.029 0.000 0.662 268 A CB -0.560 18.453 19.000 0.022 0.000 0.812 268 A HN 0.931 nan 8.150 nan 0.000 0.450 269 A N -0.956 121.878 122.820 0.024 0.000 2.072 269 A HA 0.479 4.799 4.320 0.000 0.000 0.216 269 A C 0.772 178.368 177.584 0.020 0.000 1.156 269 A CA 0.268 52.315 52.037 0.016 0.000 0.701 269 A CB -0.151 18.854 19.000 0.008 0.000 0.816 269 A HN 0.393 nan 8.150 nan 0.000 0.458 270 L N -0.916 120.327 121.223 0.033 0.000 2.342 270 L HA 0.380 4.720 4.340 0.000 0.000 0.271 270 L C 0.142 177.041 176.870 0.048 0.000 1.008 270 L CA -0.869 53.994 54.840 0.039 0.000 0.818 270 L CB 1.614 43.704 42.059 0.052 0.000 1.296 270 L HN -0.003 nan 8.230 nan 0.000 0.427 271 D N 0.004 120.431 120.400 0.045 0.000 2.149 271 D HA -0.048 4.593 4.640 0.000 0.000 0.201 271 D C 0.467 176.811 176.300 0.074 0.000 0.972 271 D CA 0.956 54.986 54.000 0.051 0.000 0.835 271 D CB 0.166 40.989 40.800 0.039 0.000 0.966 271 D HN 0.494 nan 8.370 nan 0.000 0.476 272 T N 3.222 117.823 114.554 0.078 0.000 2.871 272 T HA 0.105 4.455 4.350 0.000 0.000 0.296 272 T C -2.334 172.449 174.700 0.138 0.000 0.998 272 T CA -0.831 61.330 62.100 0.101 0.000 1.162 272 T CB 0.985 69.910 68.868 0.094 0.000 0.947 272 T HN -0.038 nan 8.240 nan 0.000 0.536 273 P HA 0.207 nan 4.420 nan 0.000 0.269 273 P C -0.461 176.985 177.300 0.242 0.000 1.215 273 P CA -0.387 62.874 63.100 0.268 0.000 0.780 273 P CB 0.440 32.438 31.700 0.496 0.000 0.898 274 I N 1.300 121.991 120.570 0.202 0.000 2.441 274 I HA 0.593 4.763 4.170 0.000 0.000 0.295 274 I C 0.158 176.306 176.117 0.051 0.000 0.994 274 I CA -0.945 60.437 61.300 0.136 0.000 1.144 274 I CB 1.166 39.245 38.000 0.131 0.000 1.314 274 I HN 0.325 nan 8.210 nan 0.000 0.445 275 A N 4.117 126.873 122.820 -0.108 0.000 2.386 275 A HA 0.885 5.206 4.320 0.000 0.000 0.311 275 A C -0.335 177.064 177.584 -0.309 0.000 1.068 275 A CA -0.498 51.340 52.037 -0.332 0.000 0.743 275 A CB 2.080 20.492 19.000 -0.980 0.000 1.258 275 A HN 0.732 nan 8.150 nan 0.000 0.429 276 T N -0.601 113.759 114.554 -0.324 0.000 2.686 276 T HA 0.573 4.923 4.350 0.000 0.000 0.308 276 T C 0.367 174.881 174.700 -0.309 0.000 1.667 276 T CA 0.713 62.603 62.100 -0.350 0.000 0.987 276 T CB 0.783 69.306 68.868 -0.575 0.000 1.652 276 T HN 2.489 nan 8.240 nan 0.000 0.496 277 G N 1.250 109.855 108.800 -0.325 0.000 2.260 277 G HA2 -0.166 3.794 3.960 0.000 0.000 0.179 277 G HA3 -0.166 3.794 3.960 0.000 0.000 0.179 277 G C 0.729 175.519 174.900 -0.183 0.000 1.002 277 G CA 1.142 46.051 45.100 -0.317 0.000 0.677 277 G HN 1.024 nan 8.290 nan 0.000 0.486 278 E N 0.121 120.216 120.200 -0.176 0.000 2.204 278 E HA -0.059 4.291 4.350 0.000 0.000 0.195 278 E C 2.098 178.591 176.600 -0.178 0.000 0.990 278 E CA 1.358 57.647 56.400 -0.185 0.000 0.821 278 E CB -0.213 29.201 29.700 -0.476 0.000 0.750 278 E HN 0.430 nan 8.360 nan 0.000 0.477 279 M N 0.955 120.430 119.600 -0.208 0.000 2.506 279 M HA 0.195 4.675 4.480 0.000 0.000 0.260 279 M C 0.851 177.070 176.300 -0.134 0.000 1.104 279 M CA 0.340 55.549 55.300 -0.150 0.000 1.112 279 M CB -0.493 32.021 32.600 -0.143 0.000 1.401 279 M HN 0.099 nan 8.290 nan 0.000 0.473 280 L N 1.341 122.420 121.223 -0.240 0.000 2.456 280 L HA 0.046 4.386 4.340 0.000 0.000 0.272 280 L C 1.089 177.956 176.870 -0.005 0.000 1.189 280 L CA 0.127 54.817 54.840 -0.252 0.000 0.846 280 L CB 0.129 41.769 42.059 -0.697 0.000 1.111 280 L HN 0.277 nan 8.230 nan 0.000 0.475 281 T N -2.054 112.528 114.554 0.047 0.000 3.355 281 T HA 0.399 4.750 4.350 0.000 0.000 0.276 281 T C -0.068 174.706 174.700 0.123 0.000 1.003 281 T CA -0.101 62.057 62.100 0.098 0.000 0.943 281 T CB -0.070 68.842 68.868 0.074 0.000 1.158 281 T HN 0.723 nan 8.240 nan 0.000 0.513 282 S N -0.440 115.355 115.700 0.159 0.000 2.686 282 S HA 0.378 4.848 4.470 0.000 0.000 0.273 282 S C 0.002 174.722 174.600 0.200 0.000 1.060 282 S CA -0.847 57.455 58.200 0.170 0.000 0.845 282 S CB 0.018 63.294 63.200 0.127 0.000 1.086 282 S HN 0.108 nan 8.310 nan 0.000 0.461 283 F N 2.231 122.216 119.950 0.058 0.000 2.069 283 F HA 0.056 4.583 4.527 0.000 0.000 0.298 283 F C 2.474 178.297 175.800 0.039 0.000 1.113 283 F CA 1.908 59.923 58.000 0.024 0.000 1.214 283 F CB -0.294 38.691 39.000 -0.024 0.000 0.978 283 F HN 0.706 nan 8.300 nan 0.000 0.474 284 R N 0.409 120.940 120.500 0.051 0.000 2.103 284 R HA -0.214 4.126 4.340 0.000 0.000 0.242 284 R C 2.112 178.326 176.300 -0.144 0.000 1.142 284 R CA 2.123 58.188 56.100 -0.058 0.000 0.960 284 R CB -0.732 29.614 30.300 0.077 0.000 0.858 284 R HN 0.492 nan 8.270 nan 0.000 0.439 285 E N -0.624 119.528 120.200 -0.081 0.000 2.072 285 E HA -0.185 4.165 4.350 0.000 0.000 0.191 285 E C 1.895 178.339 176.600 -0.261 0.000 0.985 285 E CA 1.242 57.573 56.400 -0.114 0.000 0.801 285 E CB -0.139 29.517 29.700 -0.073 0.000 0.750 285 E HN 0.502 nan 8.360 nan 0.000 0.452 286 H N 0.312 119.206 119.070 -0.294 0.000 2.423 286 H HA -0.082 4.474 4.556 0.000 0.000 0.297 286 H C 2.047 177.120 175.328 -0.426 0.000 1.075 286 H CA 1.533 57.369 56.048 -0.354 0.000 1.342 286 H CB 0.115 29.658 29.762 -0.364 0.000 1.395 286 H HN 0.187 nan 8.280 nan 0.000 0.530 287 E N 0.235 120.155 120.200 -0.467 0.000 2.110 287 E HA -0.229 4.121 4.350 0.000 0.000 0.193 287 E C 1.740 178.171 176.600 -0.281 0.000 0.988 287 E CA 0.902 57.012 56.400 -0.484 0.000 0.804 287 E CB 0.212 29.537 29.700 -0.625 0.000 0.745 287 E HN 0.400 nan 8.360 nan 0.000 0.458 288 Q N 0.262 119.931 119.800 -0.219 0.000 2.050 288 Q HA -0.136 4.204 4.340 0.000 0.000 0.202 288 Q C 2.341 178.250 176.000 -0.152 0.000 0.980 288 Q CA 0.859 56.577 55.803 -0.143 0.000 0.840 288 Q CB -0.291 28.392 28.738 -0.092 0.000 0.898 288 Q HN 0.386 nan 8.270 nan 0.000 0.424 289 L N 0.168 121.271 121.223 -0.199 0.000 2.046 289 L HA -0.138 4.202 4.340 0.000 0.000 0.208 289 L C 2.374 179.130 176.870 -0.189 0.000 1.077 289 L CA 1.283 56.004 54.840 -0.200 0.000 0.747 289 L CB -0.817 41.074 42.059 -0.280 0.000 0.896 289 L HN 0.233 nan 8.230 nan 0.000 0.432 290 I N -0.440 119.988 120.570 -0.237 0.000 2.202 290 I HA -0.306 3.864 4.170 0.000 0.000 0.242 290 I C 2.489 178.412 176.117 -0.322 0.000 1.091 290 I CA 0.971 62.090 61.300 -0.301 0.000 1.368 290 I CB -0.173 37.590 38.000 -0.395 0.000 1.058 290 I HN 0.186 nan 8.210 nan 0.000 0.410 291 L N 0.404 121.470 121.223 -0.262 0.000 2.191 291 L HA -0.101 4.239 4.340 0.000 0.000 0.212 291 L C 2.251 179.083 176.870 -0.064 0.000 1.103 291 L CA 1.238 55.995 54.840 -0.139 0.000 0.769 291 L CB -0.883 41.130 42.059 -0.077 0.000 0.908 291 L HN 0.330 nan 8.230 nan 0.000 0.438 292 G N -0.824 107.930 108.800 -0.077 0.000 3.181 292 G HA2 -0.044 3.917 3.960 0.000 0.000 0.219 292 G HA3 -0.044 3.917 3.960 0.000 0.000 0.219 292 G C 0.431 175.314 174.900 -0.029 0.000 1.182 292 G CA -0.209 44.868 45.100 -0.039 0.000 0.791 292 G HN 0.582 nan 8.290 nan 0.000 0.537 293 N N -0.917 117.758 118.700 -0.042 0.000 2.716 293 N HA -0.275 4.465 4.740 0.000 0.000 0.250 293 N C 1.514 177.014 175.510 -0.017 0.000 1.033 293 N CA 0.119 53.157 53.050 -0.021 0.000 0.727 293 N CB -0.606 37.889 38.487 0.013 0.000 0.950 293 N HN 0.422 nan 8.380 nan 0.000 0.541 294 A N -0.299 122.494 122.820 -0.045 0.000 1.930 294 A HA 0.058 4.378 4.320 0.000 0.000 0.217 294 A C 1.211 178.780 177.584 -0.026 0.000 1.175 294 A CA 1.735 53.757 52.037 -0.024 0.000 0.627 294 A CB 0.116 19.057 19.000 -0.098 0.000 0.815 294 A HN 0.632 nan 8.150 nan 0.000 0.443 295 S N -2.621 113.040 115.700 -0.064 0.000 2.607 295 S HA 0.445 4.916 4.470 0.000 0.000 0.273 295 S C -0.464 174.119 174.600 -0.029 0.000 1.148 295 S CA -0.318 57.856 58.200 -0.042 0.000 0.833 295 S CB 1.124 64.259 63.200 -0.108 0.000 1.130 295 S HN 0.172 nan 8.310 nan 0.000 0.470 296 D N -0.237 120.175 120.400 0.020 0.000 2.240 296 D HA 0.172 4.812 4.640 0.000 0.000 0.206 296 D C -0.527 175.683 176.300 -0.149 0.000 0.963 296 D CA 1.172 55.161 54.000 -0.018 0.000 0.863 296 D CB 0.072 40.922 40.800 0.083 0.000 0.973 296 D HN 0.408 nan 8.370 nan 0.000 0.501 297 F N 1.006 120.873 119.950 -0.139 0.000 2.467 297 F HA 0.274 4.801 4.527 0.000 0.000 0.336 297 F C 0.061 175.695 175.800 -0.277 0.000 1.123 297 F CA -0.856 57.008 58.000 -0.227 0.000 0.964 297 F CB 1.974 40.721 39.000 -0.422 0.000 1.136 297 F HN -0.406 nan 8.300 nan 0.000 0.447 298 V N 3.874 123.722 119.914 -0.111 0.000 2.439 298 V HA 0.310 4.430 4.120 0.000 0.000 0.282 298 V C -0.384 175.605 176.094 -0.175 0.000 1.039 298 V CA -0.622 61.586 62.300 -0.154 0.000 0.913 298 V CB 1.507 33.221 31.823 -0.181 0.000 0.983 298 V HN 0.681 nan 8.190 nan 0.000 0.460 299 Q N 5.948 125.662 119.800 -0.144 0.000 2.849 299 Q HA 0.299 4.639 4.340 0.000 0.000 0.289 299 Q C -2.551 173.438 176.000 -0.020 0.000 1.012 299 Q CA -1.600 54.136 55.803 -0.111 0.000 0.899 299 Q CB 1.672 30.328 28.738 -0.136 0.000 1.235 299 Q HN 0.545 nan 8.270 nan 0.000 0.457 300 P HA 0.082 nan 4.420 nan 0.000 0.276 300 P C -0.741 176.633 177.300 0.123 0.000 1.252 300 P CA -0.144 62.817 63.100 -0.230 0.000 0.802 300 P CB 1.226 32.347 31.700 -0.965 0.000 1.035 301 D N 0.303 120.889 120.400 0.310 0.000 2.505 301 D HA 0.318 4.958 4.640 0.000 0.000 0.250 301 D C 1.000 177.658 176.300 0.596 0.000 1.164 301 D CA -0.686 53.641 54.000 0.545 0.000 0.870 301 D CB 1.755 42.880 40.800 0.540 0.000 1.160 301 D HN 0.257 nan 8.370 nan 0.000 0.549 302 A N 5.500 128.773 122.820 0.755 0.000 1.873 302 A HA -0.094 4.226 4.320 0.000 0.000 0.218 302 A C -0.742 176.990 177.584 0.246 0.000 1.193 302 A CA 1.427 53.712 52.037 0.414 0.000 0.629 302 A CB -1.219 17.757 19.000 -0.040 0.000 0.826 302 A HN 0.494 nan 8.150 nan 0.000 0.447 303 P HA -0.133 nan 4.420 nan 0.000 0.215 303 P C 1.566 178.948 177.300 0.136 0.000 1.153 303 P CA 1.346 64.537 63.100 0.152 0.000 0.853 303 P CB -0.115 31.743 31.700 0.263 0.000 0.788 304 R N -0.412 120.195 120.500 0.177 0.000 2.115 304 R HA -0.042 4.298 4.340 0.000 0.000 0.226 304 R C 1.850 178.238 176.300 0.147 0.000 1.100 304 R CA 1.469 57.636 56.100 0.112 0.000 0.980 304 R CB -0.773 29.604 30.300 0.129 0.000 0.875 304 R HN 0.204 nan 8.270 nan 0.000 0.445 305 V N -3.537 116.500 119.914 0.206 0.000 3.623 305 V HA 0.382 4.502 4.120 0.000 0.000 0.271 305 V C 0.964 177.184 176.094 0.209 0.000 1.248 305 V CA 0.881 63.302 62.300 0.201 0.000 1.156 305 V CB 0.413 32.348 31.823 0.187 0.000 0.870 305 V HN 0.412 nan 8.190 nan 0.000 0.453 306 G N -1.761 107.169 108.800 0.217 0.000 2.175 306 G HA2 0.365 4.325 3.960 0.000 0.000 0.182 306 G HA3 0.365 4.325 3.960 0.000 0.000 0.182 306 G C 0.898 175.999 174.900 0.334 0.000 1.003 306 G CA -0.057 45.214 45.100 0.285 0.000 0.666 306 G HN 2.218 nan 8.290 nan 0.000 0.506 307 G N -1.101 107.845 108.800 0.244 0.000 2.422 307 G HA2 0.104 4.064 3.960 0.000 0.000 0.607 307 G HA3 0.104 4.064 3.960 0.000 0.000 0.607 307 G C 0.767 175.762 174.900 0.159 0.000 1.270 307 G CA -0.093 45.128 45.100 0.202 0.000 0.992 307 G HN 0.857 nan 8.290 nan 0.000 0.499 308 I N 0.741 121.335 120.570 0.041 0.000 2.286 308 I HA -0.165 4.005 4.170 0.000 0.000 0.248 308 I C 2.940 178.996 176.117 -0.100 0.000 1.115 308 I CA 2.011 63.198 61.300 -0.188 0.000 1.392 308 I CB -0.451 37.175 38.000 -0.624 0.000 1.065 308 I HN 0.519 nan 8.210 nan 0.000 0.418 309 S N 1.304 117.080 115.700 0.127 0.000 2.351 309 S HA -0.111 4.360 4.470 0.000 0.000 0.220 309 S C -0.304 174.319 174.600 0.038 0.000 1.035 309 S CA 1.768 60.071 58.200 0.173 0.000 1.031 309 S CB -1.485 61.860 63.200 0.242 0.000 0.928 309 S HN 0.389 nan 8.310 nan 0.000 0.433 310 P HA -0.056 nan 4.420 nan 0.000 0.219 310 P C 1.327 178.696 177.300 0.115 0.000 1.150 310 P CA 0.886 64.001 63.100 0.025 0.000 0.814 310 P CB -0.146 31.589 31.700 0.059 0.000 0.787 311 F N 0.969 120.912 119.950 -0.012 0.000 2.161 311 F HA -0.165 4.363 4.527 0.000 0.000 0.300 311 F C 2.280 178.057 175.800 -0.039 0.000 1.089 311 F CA 1.275 59.254 58.000 -0.035 0.000 1.282 311 F CB -0.647 38.334 39.000 -0.033 0.000 1.010 311 F HN -0.292 nan 8.300 nan 0.000 0.485 312 L N 0.011 121.360 121.223 0.210 0.000 2.046 312 L HA -0.251 4.089 4.340 0.000 0.000 0.208 312 L C 2.383 179.295 176.870 0.070 0.000 1.077 312 L CA 1.538 56.448 54.840 0.117 0.000 0.747 312 L CB -0.708 41.351 42.059 -0.000 0.000 0.896 312 L HN 0.081 nan 8.230 nan 0.000 0.432 313 K N 0.241 120.661 120.400 0.035 0.000 2.057 313 K HA -0.138 4.182 4.320 0.000 0.000 0.207 313 K C 2.067 178.789 176.600 0.204 0.000 1.049 313 K CA 1.277 57.576 56.287 0.019 0.000 0.931 313 K CB -0.179 32.172 32.500 -0.249 0.000 0.714 313 K HN 0.257 nan 8.250 nan 0.000 0.440 314 I N 0.883 121.550 120.570 0.162 0.000 2.226 314 I HA -0.308 3.863 4.170 0.000 0.000 0.245 314 I C 2.533 178.599 176.117 -0.085 0.000 1.100 314 I CA 1.267 62.556 61.300 -0.019 0.000 1.374 314 I CB -0.205 37.553 38.000 -0.403 0.000 1.057 314 I HN 0.210 nan 8.210 nan 0.000 0.413 315 M N 0.310 119.855 119.600 -0.092 0.000 2.080 315 M HA -0.263 4.217 4.480 0.000 0.000 0.260 315 M C 1.845 178.276 176.300 0.217 0.000 1.068 315 M CA 1.897 57.253 55.300 0.093 0.000 1.109 315 M CB -0.448 32.284 32.600 0.220 0.000 1.342 315 M HN 0.214 nan 8.290 nan 0.000 0.405 316 D N 0.235 120.717 120.400 0.137 0.000 2.117 316 D HA -0.143 4.497 4.640 0.000 0.000 0.197 316 D C 1.792 178.166 176.300 0.124 0.000 0.987 316 D CA 1.071 55.135 54.000 0.106 0.000 0.829 316 D CB -0.433 40.414 40.800 0.079 0.000 0.961 316 D HN 0.224 nan 8.370 nan 0.000 0.460 317 L N 1.093 122.408 121.223 0.153 0.000 2.017 317 L HA -0.055 4.285 4.340 0.000 0.000 0.208 317 L C 2.154 179.118 176.870 0.156 0.000 1.073 317 L CA 1.793 56.734 54.840 0.168 0.000 0.745 317 L CB -0.907 41.238 42.059 0.143 0.000 0.894 317 L HN -0.022 nan 8.230 nan 0.000 0.432 318 A N -0.423 122.449 122.820 0.087 0.000 1.908 318 A HA -0.154 4.166 4.320 0.000 0.000 0.218 318 A C 2.463 180.153 177.584 0.177 0.000 1.181 318 A CA 2.027 54.117 52.037 0.088 0.000 0.627 318 A CB -1.236 17.788 19.000 0.040 0.000 0.818 318 A HN 0.600 nan 8.150 nan 0.000 0.445 319 A N -0.067 122.859 122.820 0.176 0.000 1.883 319 A HA -0.196 4.125 4.320 0.000 0.000 0.217 319 A C 2.088 179.679 177.584 0.011 0.000 1.186 319 A CA 1.894 53.939 52.037 0.013 0.000 0.624 319 A CB -0.493 18.422 19.000 -0.143 0.000 0.822 319 A HN 0.566 nan 8.150 nan 0.000 0.444 320 K N -1.160 119.277 120.400 0.062 0.000 2.152 320 K HA -0.170 4.150 4.320 0.000 0.000 0.206 320 K C 1.160 177.715 176.600 -0.075 0.000 1.048 320 K CA 1.648 57.935 56.287 -0.000 0.000 0.933 320 K CB -0.273 32.244 32.500 0.029 0.000 0.721 320 K HN 0.661 nan 8.250 nan 0.000 0.447 321 H N -0.721 118.339 119.070 -0.017 0.000 2.538 321 H HA 0.177 4.733 4.556 0.000 0.000 0.286 321 H C 0.672 175.981 175.328 -0.031 0.000 1.035 321 H CA 0.355 56.389 56.048 -0.023 0.000 1.169 321 H CB 0.255 30.003 29.762 -0.024 0.000 1.417 321 H HN 0.367 nan 8.280 nan 0.000 0.567 322 G N 1.509 110.332 108.800 0.038 0.000 2.341 322 G HA2 -0.335 3.625 3.960 0.000 0.000 0.292 322 G HA3 -0.335 3.625 3.960 0.000 0.000 0.292 322 G C 0.021 174.919 174.900 -0.004 0.000 1.021 322 G CA -0.087 45.010 45.100 -0.004 0.000 0.905 322 G HN 0.188 nan 8.290 nan 0.000 0.508 323 R N -0.330 120.186 120.500 0.028 0.000 2.536 323 R HA 0.543 4.883 4.340 0.000 0.000 0.279 323 R C 0.695 176.977 176.300 -0.031 0.000 1.001 323 R CA -0.618 55.455 56.100 -0.045 0.000 1.027 323 R CB 0.890 31.162 30.300 -0.047 0.000 1.096 323 R HN 0.351 nan 8.270 nan 0.000 0.502 324 K N 0.720 120.952 120.400 -0.281 0.000 2.090 324 K HA 0.367 4.687 4.320 0.000 0.000 0.250 324 K C -0.314 176.122 176.600 -0.273 0.000 1.004 324 K CA -0.659 55.448 56.287 -0.299 0.000 0.919 324 K CB 0.641 32.599 32.500 -0.903 0.000 1.045 324 K HN 0.158 nan 8.250 nan 0.000 0.471 325 L N 0.789 121.866 121.223 -0.242 0.000 2.341 325 L HA 0.537 4.877 4.340 0.000 0.000 0.278 325 L C -1.315 175.582 176.870 0.045 0.000 1.005 325 L CA 0.043 54.676 54.840 -0.346 0.000 0.818 325 L CB 1.785 43.259 42.059 -0.976 0.000 1.259 325 L HN 0.723 nan 8.230 nan 0.000 0.418 326 A N 5.634 128.473 122.820 0.032 0.000 3.266 326 A HA 0.634 4.954 4.320 0.000 0.000 0.310 326 A C -2.668 174.943 177.584 0.044 0.000 1.066 326 A CA -1.128 50.980 52.037 0.118 0.000 0.839 326 A CB -0.250 18.649 19.000 -0.168 0.000 1.192 326 A HN 0.523 nan 8.150 nan 0.000 0.496 327 P HA -0.055 nan 4.420 nan 0.000 0.266 327 P C -0.303 177.008 177.300 0.019 0.000 1.186 327 P CA 0.561 63.599 63.100 -0.104 0.000 0.767 327 P CB 0.235 31.732 31.700 -0.338 0.000 0.820 328 H N 4.529 123.579 119.070 -0.034 0.000 2.488 328 H HA 0.289 4.845 4.556 0.000 0.000 0.322 328 H C 0.367 175.953 175.328 0.430 0.000 1.078 328 H CA -0.390 55.783 56.048 0.208 0.000 1.260 328 H CB 0.105 29.986 29.762 0.198 0.000 1.425 328 H HN 0.317 nan 8.280 nan 0.000 0.471 329 F N 2.384 122.087 119.950 -0.412 0.000 2.183 329 F HA -0.350 4.177 4.527 -0.000 0.000 0.318 329 F C 0.579 176.376 175.800 -0.004 0.000 0.129 329 F CA 1.415 59.161 58.000 -0.425 0.000 0.912 329 F CB -1.281 37.251 39.000 -0.781 0.000 4.135 329 F HN 0.887 nan 8.300 nan 0.000 0.137 330 A N 1.229 123.672 122.820 -0.628 0.000 1.928 330 A HA -0.173 4.147 4.320 0.000 0.000 0.252 330 A C 1.312 178.733 177.584 -0.271 0.000 1.250 330 A CA 1.571 53.340 52.037 -0.448 0.000 0.764 330 A CB -1.651 17.188 19.000 -0.269 0.000 1.129 330 A HN 1.280 nan 8.150 nan 0.000 0.318 331 M N -1.286 118.205 119.600 -0.182 0.000 2.374 331 M HA -0.103 4.377 4.480 0.000 0.000 0.264 331 M C 1.193 177.464 176.300 -0.047 0.000 1.067 331 M CA 2.054 57.329 55.300 -0.041 0.000 1.103 331 M CB -0.520 32.075 32.600 -0.009 0.000 1.402 331 M HN 0.426 nan 8.290 nan 0.000 0.444 332 E N 1.334 121.456 120.200 -0.130 0.000 2.265 332 E HA -0.077 4.273 4.350 0.000 0.000 0.196 332 E C 1.995 178.626 176.600 0.052 0.000 0.996 332 E CA 1.168 57.503 56.400 -0.109 0.000 0.832 332 E CB -0.302 28.995 29.700 -0.671 0.000 0.756 332 E HN 0.491 nan 8.360 nan 0.000 0.491 333 V N -0.391 119.437 119.914 -0.143 0.000 2.908 333 V HA -0.040 4.080 4.120 0.000 0.000 0.240 333 V C 1.581 177.568 176.094 -0.179 0.000 1.117 333 V CA 0.563 62.746 62.300 -0.195 0.000 1.133 333 V CB -0.258 31.273 31.823 -0.487 0.000 0.857 333 V HN 0.261 nan 8.190 nan 0.000 0.478 334 H N 0.171 119.171 119.070 -0.116 0.000 2.491 334 H HA -0.029 4.527 4.556 0.000 0.000 0.290 334 H C 2.097 177.386 175.328 -0.065 0.000 1.050 334 H CA 1.375 57.344 56.048 -0.132 0.000 1.309 334 H CB -0.119 29.612 29.762 -0.051 0.000 1.392 334 H HN 0.313 nan 8.280 nan 0.000 0.554 335 L N 0.806 122.050 121.223 0.035 0.000 2.012 335 L HA -0.202 4.138 4.340 0.000 0.000 0.210 335 L C 2.290 179.084 176.870 -0.127 0.000 1.073 335 L CA 1.845 56.643 54.840 -0.070 0.000 0.748 335 L CB -0.645 41.314 42.059 -0.166 0.000 0.891 335 L HN 0.258 nan 8.230 nan 0.000 0.431 336 H N -0.542 118.525 119.070 -0.004 0.000 2.326 336 H HA -0.078 4.479 4.556 0.000 0.000 0.301 336 H C 2.353 177.663 175.328 -0.029 0.000 1.081 336 H CA 2.009 58.044 56.048 -0.023 0.000 1.334 336 H CB -0.256 29.478 29.762 -0.047 0.000 1.385 336 H HN 0.373 nan 8.280 nan 0.000 0.504 337 L N 0.846 122.099 121.223 0.049 0.000 2.017 337 L HA -0.169 4.171 4.340 0.000 0.000 0.208 337 L C 2.802 179.752 176.870 0.134 0.000 1.073 337 L CA 1.565 56.412 54.840 0.011 0.000 0.745 337 L CB -0.507 41.406 42.059 -0.245 0.000 0.894 337 L HN 0.288 nan 8.230 nan 0.000 0.432 338 S N -0.080 115.692 115.700 0.120 0.000 2.447 338 S HA -0.085 4.385 4.470 0.000 0.000 0.233 338 S C 2.068 176.750 174.600 0.137 0.000 1.006 338 S CA 0.692 58.976 58.200 0.141 0.000 0.957 338 S CB -0.343 62.921 63.200 0.107 0.000 0.773 338 S HN 0.339 nan 8.310 nan 0.000 0.507 339 A N 1.390 124.260 122.820 0.084 0.000 2.014 339 A HA 0.510 4.830 4.320 0.000 0.000 0.218 339 A C 2.267 179.929 177.584 0.130 0.000 1.163 339 A CA 1.158 53.233 52.037 0.063 0.000 0.652 339 A CB -0.939 18.066 19.000 0.007 0.000 0.808 339 A HN 0.850 nan 8.150 nan 0.000 0.449 340 A N -2.218 120.699 122.820 0.163 0.000 2.251 340 A HA 0.319 4.639 4.320 0.000 0.000 0.209 340 A C 0.573 178.361 177.584 0.339 0.000 1.187 340 A CA -0.210 51.946 52.037 0.199 0.000 0.823 340 A CB -0.362 18.711 19.000 0.122 0.000 0.846 340 A HN 0.441 nan 8.150 nan 0.000 0.486 341 Y N 0.690 121.083 120.300 0.155 0.000 2.359 341 Y HA 0.321 4.871 4.550 0.000 0.000 0.330 341 Y C -1.704 174.169 175.900 -0.045 0.000 1.143 341 Y CA -1.989 56.161 58.100 0.083 0.000 1.318 341 Y CB 0.970 39.465 38.460 0.058 0.000 1.234 341 Y HN 0.075 nan 8.280 nan 0.000 0.522 342 P HA -0.154 nan 4.420 nan 0.000 0.215 342 P C -0.495 176.480 177.300 -0.541 0.000 1.157 342 P CA 1.586 64.187 63.100 -0.832 0.000 0.868 342 P CB 0.198 31.481 31.700 -0.695 0.000 0.788 343 L N -0.643 120.316 121.223 -0.439 0.000 2.379 343 L HA 0.291 4.631 4.340 0.000 0.000 0.269 343 L C 0.724 177.654 176.870 0.100 0.000 1.084 343 L CA -1.112 53.667 54.840 -0.102 0.000 0.802 343 L CB 0.335 42.382 42.059 -0.020 0.000 1.175 343 L HN -0.152 nan 8.230 nan 0.000 0.448 344 E N 4.162 124.387 120.200 0.043 0.000 2.498 344 E HA 0.068 4.418 4.350 0.000 0.000 0.252 344 E C -2.250 174.414 176.600 0.106 0.000 1.025 344 E CA -0.848 55.574 56.400 0.036 0.000 0.938 344 E CB 0.507 30.190 29.700 -0.029 0.000 0.947 344 E HN 0.213 nan 8.360 nan 0.000 0.478 345 P HA 0.359 nan 4.420 nan 0.000 0.304 345 P C -1.181 176.168 177.300 0.082 0.000 1.310 345 P CA -0.731 62.472 63.100 0.172 0.000 0.796 345 P CB 0.721 32.503 31.700 0.136 0.000 1.297 346 W N -0.826 120.632 121.300 0.264 0.000 2.915 346 W HA 0.551 5.211 4.660 0.000 0.000 0.337 346 W C -0.914 175.783 176.519 0.296 0.000 1.102 346 W CA -0.494 57.044 57.345 0.322 0.000 1.224 346 W CB 1.871 31.633 29.460 0.503 0.000 1.416 346 W HN 0.122 nan 8.180 nan 0.000 0.503 347 L N 2.491 124.010 121.223 0.493 0.000 2.346 347 L HA 0.480 4.820 4.340 0.000 0.000 0.276 347 L C -0.205 176.754 176.870 0.148 0.000 1.006 347 L CA -0.605 54.405 54.840 0.284 0.000 0.817 347 L CB 1.565 43.707 42.059 0.137 0.000 1.272 347 L HN 0.458 nan 8.230 nan 0.000 0.421 348 E N 3.690 123.899 120.200 0.015 0.000 2.249 348 E HA 0.185 4.535 4.350 0.000 0.000 0.280 348 E C -1.335 175.149 176.600 -0.192 0.000 1.016 348 E CA -0.518 55.632 56.400 -0.417 0.000 0.830 348 E CB 0.603 30.278 29.700 -0.041 0.000 1.081 348 E HN 0.665 nan 8.360 nan 0.000 0.395 349 H N 4.989 123.799 119.070 -0.433 0.000 2.489 349 H HA 0.367 4.924 4.556 0.000 0.000 0.343 349 H C -1.677 173.452 175.328 -0.332 0.000 1.086 349 H CA -0.454 55.456 56.048 -0.230 0.000 1.198 349 H CB 0.438 30.089 29.762 -0.184 0.000 1.490 349 H HN 0.458 nan 8.280 nan 0.000 0.504 350 F N 2.003 121.310 119.950 -1.072 0.000 2.613 350 F HA 0.158 4.685 4.527 0.000 0.000 0.314 350 F C 1.212 176.459 175.800 -0.922 0.000 1.075 350 F CA -0.677 56.778 58.000 -0.907 0.000 0.945 350 F CB 1.990 40.521 39.000 -0.780 0.000 1.310 350 F HN 0.596 nan 8.300 nan 0.000 0.467 351 E N 0.189 120.277 120.200 -0.188 0.000 2.473 351 E HA -0.024 4.326 4.350 0.000 0.000 0.204 351 E C 1.091 177.845 176.600 0.257 0.000 0.994 351 E CA 0.242 56.687 56.400 0.075 0.000 0.945 351 E CB -0.147 29.698 29.700 0.240 0.000 0.990 351 E HN 0.654 nan 8.360 nan 0.000 0.493 352 W N 2.198 123.552 121.300 0.091 0.000 2.290 352 W HA -0.150 4.510 4.660 0.001 0.000 0.318 352 W C 2.119 178.615 176.519 -0.039 0.000 1.248 352 W CA 0.978 58.354 57.345 0.052 0.000 1.263 352 W CB -1.032 28.486 29.460 0.096 0.000 1.147 352 W HN 0.086 nan 8.180 nan 0.000 0.494 353 L N 0.315 121.603 121.223 0.109 0.000 2.554 353 L HA -0.039 4.301 4.340 0.000 0.000 0.226 353 L C 1.879 178.712 176.870 -0.063 0.000 1.137 353 L CA 0.197 54.991 54.840 -0.076 0.000 0.863 353 L CB -0.850 41.090 42.059 -0.199 0.000 0.985 353 L HN -0.042 nan 8.230 nan 0.000 0.451 354 N N 1.434 120.178 118.700 0.073 0.000 2.060 354 N HA -0.160 4.580 4.740 0.000 0.000 0.195 354 N C -0.715 174.837 175.510 0.069 0.000 1.028 354 N CA 1.638 54.765 53.050 0.129 0.000 0.861 354 N CB -1.531 37.054 38.487 0.162 0.000 1.029 354 N HN 0.304 nan 8.380 nan 0.000 0.428 355 P HA -0.071 nan 4.420 nan 0.000 0.228 355 P C 1.311 178.531 177.300 -0.133 0.000 1.151 355 P CA 0.803 63.915 63.100 0.020 0.000 0.770 355 P CB -0.033 31.765 31.700 0.164 0.000 0.786 356 L N -2.352 118.682 121.223 -0.314 0.000 2.313 356 L HA 0.053 4.393 4.340 0.000 0.000 0.214 356 L C 0.805 177.230 176.870 -0.741 0.000 1.119 356 L CA 0.663 55.109 54.840 -0.656 0.000 0.809 356 L CB -0.327 41.021 42.059 -1.185 0.000 0.933 356 L HN -0.136 nan 8.230 nan 0.000 0.449 357 F N -1.572 118.378 119.950 0.000 0.000 2.561 357 F HA 0.288 4.816 4.527 0.001 0.000 0.321 357 F C 1.071 176.943 175.800 0.120 0.000 1.065 357 F CA -1.109 56.944 58.000 0.088 0.000 0.934 357 F CB 0.806 39.898 39.000 0.154 0.000 1.215 357 F HN -0.254 nan 8.300 nan 0.000 0.471 358 N N -0.305 118.600 118.700 0.341 0.000 2.409 358 N HA -0.025 4.715 4.740 0.000 0.000 0.179 358 N C -0.526 175.112 175.510 0.213 0.000 1.032 358 N CA 0.529 53.701 53.050 0.204 0.000 0.898 358 N CB 0.120 38.694 38.487 0.145 0.000 0.971 358 N HN 0.540 nan 8.380 nan 0.000 0.441 359 E N 0.307 120.692 120.200 0.309 0.000 2.227 359 E HA 0.343 4.693 4.350 0.000 0.000 0.268 359 E C -0.531 176.287 176.600 0.363 0.000 0.990 359 E CA -0.522 56.010 56.400 0.220 0.000 0.856 359 E CB 0.979 30.686 29.700 0.012 0.000 1.159 359 E HN -0.068 nan 8.360 nan 0.000 0.401 360 Q N 0.708 120.653 119.800 0.242 0.000 2.397 360 Q HA 0.451 4.791 4.340 0.000 0.000 0.275 360 Q C -0.634 175.490 176.000 0.207 0.000 1.090 360 Q CA -0.642 55.334 55.803 0.287 0.000 0.809 360 Q CB 2.026 30.888 28.738 0.206 0.000 1.362 360 Q HN 0.487 nan 8.270 nan 0.000 0.431 361 L N 0.885 122.261 121.223 0.256 0.000 2.436 361 L HA 0.238 4.578 4.340 0.000 0.000 0.265 361 L C 0.777 177.739 176.870 0.153 0.000 1.168 361 L CA -0.200 54.750 54.840 0.183 0.000 0.815 361 L CB 0.421 42.612 42.059 0.221 0.000 1.109 361 L HN 0.591 nan 8.230 nan 0.000 0.462 362 E N 2.589 122.875 120.200 0.143 0.000 2.130 362 E HA 0.238 4.588 4.350 0.000 0.000 0.284 362 E C -1.266 175.459 176.600 0.209 0.000 1.018 362 E CA -0.843 55.643 56.400 0.144 0.000 0.817 362 E CB 1.265 31.028 29.700 0.106 0.000 1.078 362 E HN 0.291 nan 8.360 nan 0.000 0.396 363 L N 6.084 127.402 121.223 0.159 0.000 2.262 363 L HA 0.387 4.728 4.340 0.000 0.000 0.288 363 L C -0.916 176.055 176.870 0.170 0.000 1.035 363 L CA -0.103 54.833 54.840 0.160 0.000 0.820 363 L CB 0.778 42.883 42.059 0.077 0.000 1.204 363 L HN 0.538 nan 8.230 nan 0.000 0.424 364 R N 4.351 125.020 120.500 0.283 0.000 2.532 364 R HA 0.282 4.622 4.340 0.000 0.000 0.297 364 R C -0.990 175.478 176.300 0.279 0.000 0.984 364 R CA -0.449 55.797 56.100 0.243 0.000 0.884 364 R CB 1.031 31.429 30.300 0.163 0.000 1.182 364 R HN 0.756 nan 8.270 nan 0.000 0.442 365 D N 3.623 124.126 120.400 0.172 0.000 2.735 365 D HA -0.196 4.444 4.640 0.000 0.000 0.235 365 D C 0.735 177.114 176.300 0.132 0.000 1.175 365 D CA 1.774 55.865 54.000 0.151 0.000 0.683 365 D CB -0.817 40.078 40.800 0.158 0.000 1.008 365 D HN 1.094 nan 8.370 nan 0.000 0.416 366 G N -0.142 108.732 108.800 0.122 0.000 2.189 366 G HA2 -0.377 3.583 3.960 0.000 0.000 0.267 366 G HA3 -0.377 3.583 3.960 0.000 0.000 0.267 366 G C 0.384 175.294 174.900 0.016 0.000 0.975 366 G CA 0.840 45.991 45.100 0.084 0.000 0.644 366 G HN 0.591 nan 8.290 nan 0.000 0.537 367 R N -1.355 119.161 120.500 0.027 0.000 2.807 367 R HA 0.743 5.083 4.340 0.000 0.000 0.276 367 R C -0.729 175.545 176.300 -0.044 0.000 0.979 367 R CA -1.172 54.866 56.100 -0.102 0.000 0.928 367 R CB 1.300 31.425 30.300 -0.292 0.000 1.191 367 R HN 0.121 nan 8.270 nan 0.000 0.471 368 M N 1.825 121.352 119.600 -0.122 0.000 2.088 368 M HA 0.301 4.781 4.480 0.000 0.000 0.346 368 M C -1.684 174.538 176.300 -0.129 0.000 1.111 368 M CA -0.667 54.626 55.300 -0.012 0.000 1.017 368 M CB 0.676 33.283 32.600 0.012 0.000 1.568 368 M HN 0.421 nan 8.290 nan 0.000 0.445 369 W N 5.719 127.011 121.300 -0.014 0.000 2.315 369 W HA 0.498 5.158 4.660 0.000 0.000 0.316 369 W C -0.350 176.142 176.519 -0.045 0.000 1.211 369 W CA -0.328 57.002 57.345 -0.025 0.000 1.201 369 W CB 0.364 29.815 29.460 -0.015 0.000 1.184 369 W HN 0.466 nan 8.180 nan 0.000 0.544 370 I N 3.907 124.551 120.570 0.123 0.000 2.396 370 I HA 0.037 4.207 4.170 0.000 0.000 0.289 370 I C 1.041 177.219 176.117 0.103 0.000 1.056 370 I CA -0.243 61.075 61.300 0.031 0.000 1.365 370 I CB 0.230 38.218 38.000 -0.019 0.000 1.407 370 I HN 0.441 nan 8.210 nan 0.000 0.509 371 S N 4.049 119.780 115.700 0.051 0.000 2.634 371 S HA 0.053 4.523 4.470 0.000 0.000 0.261 371 S C 0.829 175.467 174.600 0.063 0.000 1.271 371 S CA -0.505 57.720 58.200 0.042 0.000 0.985 371 S CB 0.997 64.181 63.200 -0.026 0.000 0.968 371 S HN 0.752 nan 8.310 nan 0.000 0.568 372 D N -0.714 119.718 120.400 0.054 0.000 2.340 372 D HA -0.015 4.626 4.640 0.000 0.000 0.220 372 D C 0.271 176.641 176.300 0.117 0.000 1.039 372 D CA -0.157 53.896 54.000 0.087 0.000 0.866 372 D CB -0.270 40.572 40.800 0.069 0.000 0.913 372 D HN 0.423 nan 8.370 nan 0.000 0.523 373 R N 0.479 121.009 120.500 0.051 0.000 2.643 373 R HA 0.196 4.536 4.340 0.000 0.000 0.270 373 R C 0.305 176.705 176.300 0.167 0.000 1.061 373 R CA -0.141 55.969 56.100 0.016 0.000 1.107 373 R CB 0.469 30.716 30.300 -0.089 0.000 0.999 373 R HN 0.348 nan 8.270 nan 0.000 0.460 374 H N 0.144 119.214 119.070 -0.000 0.000 2.607 374 H HA 0.161 4.717 4.556 0.000 0.000 0.367 374 H C 1.315 176.633 175.328 -0.017 0.000 1.181 374 H CA -0.062 55.990 56.048 0.007 0.000 1.402 374 H CB 0.866 30.648 29.762 0.032 0.000 1.474 374 H HN 0.844 nan 8.280 nan 0.000 0.596 375 G N 0.717 109.562 108.800 0.075 0.000 2.596 375 G HA2 -0.344 3.616 3.960 0.000 0.000 0.295 375 G HA3 -0.344 3.616 3.960 0.000 0.000 0.295 375 G C 0.938 175.730 174.900 -0.179 0.000 1.240 375 G CA 0.438 45.521 45.100 -0.028 0.000 0.985 375 G HN 0.580 nan 8.290 nan 0.000 0.555 376 L N 1.787 122.947 121.223 -0.105 0.000 2.275 376 L HA 0.255 4.595 4.340 0.000 0.000 0.215 376 L C 2.468 179.399 176.870 0.103 0.000 1.119 376 L CA 1.262 56.078 54.840 -0.039 0.000 0.790 376 L CB -0.805 41.334 42.059 0.133 0.000 0.919 376 L HN 2.122 nan 8.230 nan 0.000 0.443 377 G N -0.307 108.478 108.800 -0.025 0.000 2.160 377 G HA2 -0.286 3.674 3.960 0.000 0.000 0.244 377 G HA3 -0.286 3.674 3.960 0.000 0.000 0.244 377 G C -0.177 174.393 174.900 -0.550 0.000 1.022 377 G CA -0.249 44.716 45.100 -0.224 0.000 0.741 377 G HN 0.204 nan 8.290 nan 0.000 0.508 378 F N 0.093 120.020 119.950 -0.039 0.000 2.576 378 F HA 0.740 5.267 4.527 0.000 0.000 0.313 378 F C 0.519 176.352 175.800 0.055 0.000 1.078 378 F CA -0.090 57.861 58.000 -0.081 0.000 0.921 378 F CB 2.393 41.108 39.000 -0.475 0.000 1.232 378 F HN 0.257 nan 8.300 nan 0.000 0.459 379 T N 0.186 114.947 114.554 0.346 0.000 2.887 379 T HA 0.716 5.066 4.350 0.000 0.000 0.288 379 T C -0.685 174.238 174.700 0.370 0.000 1.021 379 T CA -0.918 61.353 62.100 0.285 0.000 1.000 379 T CB 1.282 70.253 68.868 0.172 0.000 1.034 379 T HN 0.488 nan 8.240 nan 0.000 0.467 380 L N 2.994 124.389 121.223 0.287 0.000 2.426 380 L HA 0.398 4.738 4.340 0.000 0.000 0.271 380 L C 1.262 178.195 176.870 0.105 0.000 1.169 380 L CA -0.562 54.400 54.840 0.203 0.000 0.836 380 L CB 0.794 42.939 42.059 0.143 0.000 1.112 380 L HN 0.999 nan 8.230 nan 0.000 0.465 381 S N 0.784 116.495 115.700 0.018 0.000 2.693 381 S HA 0.143 4.613 4.470 0.000 0.000 0.276 381 S C 0.806 175.359 174.600 -0.079 0.000 1.192 381 S CA -0.666 57.517 58.200 -0.027 0.000 0.994 381 S CB 1.603 64.759 63.200 -0.072 0.000 1.012 381 S HN 0.750 nan 8.310 nan 0.000 0.550 382 E N 0.006 120.150 120.200 -0.093 0.000 2.085 382 E HA -0.270 4.080 4.350 0.000 0.000 0.194 382 E C 1.872 178.347 176.600 -0.208 0.000 0.994 382 E CA 1.407 57.738 56.400 -0.115 0.000 0.801 382 E CB -0.228 29.409 29.700 -0.105 0.000 0.743 382 E HN 0.715 nan 8.360 nan 0.000 0.453 383 Q N 0.537 120.148 119.800 -0.315 0.000 2.135 383 Q HA -0.135 4.206 4.340 0.000 0.000 0.204 383 Q C 1.829 177.488 176.000 -0.568 0.000 0.981 383 Q CA 1.925 57.364 55.803 -0.608 0.000 0.856 383 Q CB -0.489 27.779 28.738 -0.783 0.000 0.902 383 Q HN 0.371 nan 8.270 nan 0.000 0.425 384 A N 0.244 122.887 122.820 -0.297 0.000 1.933 384 A HA -0.197 4.123 4.320 0.000 0.000 0.218 384 A C 1.937 179.486 177.584 -0.058 0.000 1.175 384 A CA 1.529 53.491 52.037 -0.124 0.000 0.628 384 A CB -0.400 18.527 19.000 -0.121 0.000 0.814 384 A HN 0.254 nan 8.150 nan 0.000 0.444 385 R N -0.262 120.187 120.500 -0.084 0.000 2.115 385 R HA 0.007 4.347 4.340 0.000 0.000 0.226 385 R C 2.126 178.401 176.300 -0.042 0.000 1.100 385 R CA 1.227 57.304 56.100 -0.038 0.000 0.980 385 R CB -0.632 29.650 30.300 -0.031 0.000 0.875 385 R HN 0.597 nan 8.270 nan 0.000 0.445 386 R N -0.483 119.940 120.500 -0.129 0.000 2.092 386 R HA -0.077 4.263 4.340 0.000 0.000 0.231 386 R C 1.628 177.949 176.300 0.034 0.000 1.119 386 R CA 0.980 57.009 56.100 -0.118 0.000 0.970 386 R CB -0.087 30.045 30.300 -0.279 0.000 0.864 386 R HN 0.233 nan 8.270 nan 0.000 0.440 387 W N 1.209 122.489 121.300 -0.034 0.000 3.077 387 W HA 0.108 4.768 4.660 -0.000 0.000 0.245 387 W C 0.090 176.596 176.519 -0.021 0.000 1.316 387 W CA 0.034 57.366 57.345 -0.022 0.000 1.537 387 W CB -0.551 28.882 29.460 -0.045 0.000 1.131 387 W HN -0.142 nan 8.180 nan 0.000 0.695 388 T N 1.313 115.960 114.554 0.155 0.000 2.814 388 T HA 0.098 4.448 4.350 0.000 0.000 0.297 388 T C 1.176 175.910 174.700 0.057 0.000 0.956 388 T CA 0.239 62.373 62.100 0.058 0.000 1.123 388 T CB 1.609 70.489 68.868 0.021 0.000 0.902 388 T HN 0.122 nan 8.240 nan 0.000 0.528 389 Q N 1.935 121.753 119.800 0.030 0.000 2.402 389 Q HA 0.331 4.671 4.340 0.000 0.000 0.231 389 Q C -0.041 175.942 176.000 -0.028 0.000 0.888 389 Q CA 0.463 56.294 55.803 0.047 0.000 0.938 389 Q CB 0.558 29.388 28.738 0.154 0.000 1.086 389 Q HN 0.530 nan 8.270 nan 0.000 0.543 390 L N -0.241 120.893 121.223 -0.148 0.000 2.422 390 L HA 0.600 4.940 4.340 0.000 0.000 0.264 390 L C -0.671 176.088 176.870 -0.184 0.000 0.984 390 L CA -0.625 54.099 54.840 -0.194 0.000 0.819 390 L CB 2.583 44.406 42.059 -0.393 0.000 1.330 390 L HN -0.215 nan 8.230 nan 0.000 0.410 391 T N 0.905 115.478 114.554 0.032 0.000 2.889 391 T HA 0.715 5.065 4.350 0.000 0.000 0.315 391 T C -1.521 173.269 174.700 0.150 0.000 1.291 391 T CA -0.427 61.747 62.100 0.123 0.000 1.028 391 T CB 1.342 70.247 68.868 0.062 0.000 1.235 391 T HN 0.906 nan 8.240 nan 0.000 0.491 392 C N 1.940 121.304 119.300 0.106 0.000 3.239 392 C HA 0.938 5.398 4.460 0.000 0.000 0.317 392 C C -1.088 173.748 174.990 -0.256 0.000 1.310 392 C CA -0.850 58.113 59.018 -0.093 0.000 1.371 392 C CB 1.099 28.762 27.740 -0.128 0.000 1.714 392 C HN 0.998 nan 8.230 nan 0.000 0.473 393 E N 0.013 119.912 120.200 -0.502 0.000 2.369 393 E HA 0.776 5.126 4.350 0.000 0.000 0.270 393 E C -1.788 174.275 176.600 -0.896 0.000 0.909 393 E CA -0.361 55.721 56.400 -0.530 0.000 0.775 393 E CB 2.455 32.075 29.700 -0.134 0.000 1.270 393 E HN 0.613 nan 8.360 nan 0.000 0.445 394 F N 0.128 119.940 119.950 -0.229 0.000 2.578 394 F HA 0.591 5.119 4.527 0.001 0.000 0.311 394 F C 0.794 176.573 175.800 -0.035 0.000 1.094 394 F CA -0.042 57.890 58.000 -0.112 0.000 0.923 394 F CB 2.166 41.083 39.000 -0.138 0.000 1.230 394 F HN 0.731 nan 8.300 nan 0.000 0.450 395 G N 2.245 111.179 108.800 0.224 0.000 2.553 395 G HA2 -0.140 3.820 3.960 0.000 0.000 0.242 395 G HA3 -0.140 3.820 3.960 0.000 0.000 0.242 395 G C -1.169 173.932 174.900 0.334 0.000 1.277 395 G CA -0.342 44.905 45.100 0.246 0.000 0.910 395 G HN 0.855 nan 8.290 nan 0.000 0.576 396 K N 0.076 120.682 120.400 0.343 0.000 2.501 396 K HA 0.498 4.818 4.320 0.000 0.000 0.252 396 K C 0.241 176.893 176.600 0.085 0.000 0.934 396 K CA -0.860 55.565 56.287 0.230 0.000 0.797 396 K CB 1.186 33.747 32.500 0.102 0.000 1.270 396 K HN 0.673 nan 8.250 nan 0.000 0.431 397 R N 3.666 123.998 120.500 -0.280 0.000 2.486 397 R HA 0.034 4.374 4.340 0.000 0.000 0.303 397 R C -2.023 174.160 176.300 -0.196 0.000 0.958 397 R CA -0.988 54.808 56.100 -0.506 0.000 1.077 397 R CB -0.316 29.557 30.300 -0.712 0.000 0.921 397 R HN 0.426 nan 8.270 nan 0.000 0.406 398 P HA 0.000 nan 4.420 nan 0.000 0.216 398 P CA 0.000 63.069 63.100 -0.052 0.000 0.800 398 P CB 0.000 31.693 31.700 -0.012 0.000 0.726