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 2zby_1_A DATA FIRST_RESID 8 DATA SEQUENCE PQTTDAPAFP SNRSCPYQLP DGYAQLRDTP GPLHRVTLYD GRQAWVVTKH DATA SEQUENCE EAARKLLGDP RLSSNRTDDN FPATSPAFEA VRESPQAFIG LDPPEHGTRR DATA SEQUENCE RMTISEFTVK RIKGMRPEVE EVVHGFLDEM LAAGPTADLV SQFALPVPSM DATA SEQUENCE VICRLLGVPY ADHEFFQDAS KRLVQSTDAQ SALTARNDLA GYLDGLITQF DATA SEQUENCE QTEPGAGLVG ALVADQLANG EIDREELIST AMLLLIAGHE TTASMTSLSV DATA SEQUENCE ITLLDHPEQY AALRADRSLV PGAVEELLRY LAIADIAGGR VATADIEVEG DATA SEQUENCE QLIRAGEGVI VVNSIANRDG TVYEDPDALD IHRSARHHLA FGFGVHQCLG DATA SEQUENCE QNLARLELEV ILNALMDRVP TLRLAVPVEQ LVLRPGTTIQ GVNELPVTWH 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 8 P HA 0.000 nan 4.420 nan 0.000 0.216 8 P C 0.000 177.301 177.300 0.002 0.000 1.155 8 P CA 0.000 63.101 63.100 0.002 0.000 0.800 8 P CB 0.000 31.702 31.700 0.003 0.000 0.726 9 Q N -0.684 119.118 119.800 0.003 0.000 2.247 9 Q HA 0.161 4.538 4.340 0.061 0.000 0.211 9 Q C -0.007 175.997 176.000 0.007 0.000 0.861 9 Q CA 0.389 56.194 55.803 0.004 0.000 0.949 9 Q CB 0.568 29.308 28.738 0.003 0.000 1.115 9 Q HN 0.562 nan 8.270 nan 0.000 0.507 10 T N 1.772 116.331 114.554 0.008 0.000 2.946 10 T HA 0.090 4.477 4.350 0.061 0.000 0.312 10 T C 0.226 174.935 174.700 0.014 0.000 1.066 10 T CA 0.937 63.045 62.100 0.013 0.000 1.138 10 T CB 0.567 69.444 68.868 0.014 0.000 1.014 10 T HN 0.075 nan 8.240 nan 0.000 0.544 11 T N 0.681 115.248 114.554 0.022 0.000 2.906 11 T HA 0.393 4.780 4.350 0.061 0.000 0.295 11 T C 0.039 174.766 174.700 0.046 0.000 1.061 11 T CA -0.918 61.196 62.100 0.023 0.000 1.000 11 T CB 1.332 70.212 68.868 0.019 0.000 1.103 11 T HN 0.634 nan 8.240 nan 0.000 0.486 12 D N 1.441 121.864 120.400 0.038 0.000 2.340 12 D HA 0.300 4.976 4.640 0.061 0.000 0.217 12 D C 0.326 176.675 176.300 0.083 0.000 1.081 12 D CA -0.230 53.811 54.000 0.068 0.000 0.842 12 D CB 0.168 40.973 40.800 0.008 0.000 0.934 12 D HN 0.503 nan 8.370 nan 0.000 0.511 13 A N 1.566 124.416 122.820 0.051 0.000 3.082 13 A HA 0.458 4.814 4.320 0.061 0.000 0.328 13 A C -2.743 174.869 177.584 0.048 0.000 1.089 13 A CA -1.171 50.885 52.037 0.032 0.000 0.802 13 A CB 0.743 19.703 19.000 -0.067 0.000 1.138 13 A HN -0.030 nan 8.150 nan 0.000 0.474 14 P HA 0.222 nan 4.420 nan 0.000 0.269 14 P C 0.402 177.762 177.300 0.099 0.000 1.215 14 P CA 0.272 63.416 63.100 0.073 0.000 0.780 14 P CB 0.757 32.496 31.700 0.065 0.000 0.898 15 A N 2.932 125.807 122.820 0.091 0.000 2.567 15 A HA 0.232 4.589 4.320 0.061 0.000 0.240 15 A C -0.407 177.295 177.584 0.197 0.000 1.053 15 A CA 0.529 52.633 52.037 0.111 0.000 0.755 15 A CB -0.969 18.071 19.000 0.067 0.000 0.978 15 A HN 0.555 nan 8.150 nan 0.000 0.507 16 F N 4.796 124.774 119.950 0.047 0.000 2.578 16 F HA 0.673 5.235 4.527 0.058 0.000 0.311 16 F C -2.357 173.484 175.800 0.069 0.000 1.094 16 F CA -1.984 56.059 58.000 0.072 0.000 0.923 16 F CB 2.348 41.364 39.000 0.026 0.000 1.230 16 F HN 0.466 nan 8.300 nan 0.000 0.450 17 P HA 0.383 nan 4.420 nan 0.000 0.279 17 P C -1.332 175.746 177.300 -0.370 0.000 1.276 17 P CA -0.408 62.032 63.100 -1.099 0.000 0.801 17 P CB 1.464 32.638 31.700 -0.877 0.000 1.127 18 S N 0.123 115.650 115.700 -0.287 0.000 2.621 18 S HA 0.432 4.939 4.470 0.061 0.000 0.302 18 S C -0.174 174.178 174.600 -0.415 0.000 1.093 18 S CA -0.637 57.372 58.200 -0.318 0.000 1.017 18 S CB 0.579 63.571 63.200 -0.346 0.000 1.077 18 S HN 0.386 nan 8.310 nan 0.000 0.517 19 N N 1.539 120.060 118.700 -0.298 0.000 2.487 19 N HA 0.325 5.102 4.740 0.061 0.000 0.292 19 N C -0.396 174.950 175.510 -0.274 0.000 1.108 19 N CA -0.436 52.463 53.050 -0.252 0.000 0.956 19 N CB 0.654 39.041 38.487 -0.166 0.000 1.176 19 N HN 0.428 nan 8.380 nan 0.000 0.484 20 R N 0.074 120.427 120.500 -0.245 0.000 2.490 20 R HA 0.125 4.501 4.340 0.061 0.000 0.280 20 R C 0.970 177.164 176.300 -0.176 0.000 1.077 20 R CA -0.067 55.898 56.100 -0.225 0.000 1.065 20 R CB 0.509 30.691 30.300 -0.197 0.000 1.003 20 R HN 0.724 nan 8.270 nan 0.000 0.470 21 S N 0.108 115.705 115.700 -0.172 0.000 2.497 21 S HA 0.021 4.527 4.470 0.061 0.000 0.218 21 S C 0.672 175.174 174.600 -0.163 0.000 1.023 21 S CA -0.487 57.627 58.200 -0.144 0.000 0.913 21 S CB 0.419 63.545 63.200 -0.123 0.000 0.800 21 S HN 0.592 nan 8.310 nan 0.000 0.505 22 C N 2.541 121.711 119.300 -0.216 0.000 2.441 22 C HA 0.697 5.194 4.460 0.061 0.000 0.318 22 C C -1.965 172.827 174.990 -0.330 0.000 1.222 22 C CA -1.861 56.969 59.018 -0.315 0.000 1.474 22 C CB 1.283 28.768 27.740 -0.425 0.000 2.125 22 C HN 0.204 nan 8.230 nan 0.000 0.479 23 P HA -0.094 nan 4.420 nan 0.000 0.218 23 P C 0.166 177.402 177.300 -0.106 0.000 1.148 23 P CA 1.614 64.629 63.100 -0.143 0.000 0.822 23 P CB -0.119 31.573 31.700 -0.014 0.000 0.784 24 Y N -3.582 116.675 120.300 -0.071 0.000 2.660 24 Y HA 0.661 5.247 4.550 0.060 0.000 0.254 24 Y C 0.249 175.956 175.900 -0.321 0.000 1.176 24 Y CA -1.054 56.947 58.100 -0.165 0.000 1.195 24 Y CB -0.531 37.950 38.460 0.035 0.000 1.190 24 Y HN -0.219 nan 8.280 nan 0.000 0.535 25 Q N 1.287 120.917 119.800 -0.282 0.000 2.394 25 Q HA 0.498 4.874 4.340 0.061 0.000 0.273 25 Q C -0.917 174.975 176.000 -0.180 0.000 1.089 25 Q CA -0.818 54.857 55.803 -0.212 0.000 0.812 25 Q CB 2.170 30.800 28.738 -0.180 0.000 1.353 25 Q HN 0.508 nan 8.270 nan 0.000 0.438 26 L N 4.155 125.308 121.223 -0.118 0.000 2.490 26 L HA 0.213 4.590 4.340 0.061 0.000 0.274 26 L C -1.839 174.954 176.870 -0.128 0.000 1.201 26 L CA -1.474 53.325 54.840 -0.068 0.000 0.869 26 L CB 0.140 42.226 42.059 0.044 0.000 1.123 26 L HN 0.473 nan 8.230 nan 0.000 0.484 27 P HA -0.015 nan 4.420 nan 0.000 0.267 27 P C -0.006 177.217 177.300 -0.128 0.000 1.200 27 P CA -0.183 62.742 63.100 -0.292 0.000 0.772 27 P CB 0.510 31.840 31.700 -0.617 0.000 0.855 28 D N 2.454 122.800 120.400 -0.090 0.000 2.157 28 D HA -0.179 4.497 4.640 0.061 0.000 0.191 28 D C 2.227 178.540 176.300 0.020 0.000 1.004 28 D CA 2.245 56.228 54.000 -0.029 0.000 0.854 28 D CB -0.980 39.800 40.800 -0.033 0.000 0.936 28 D HN 0.574 nan 8.370 nan 0.000 0.446 29 G N -0.504 108.314 108.800 0.029 0.000 2.469 29 G HA2 -0.294 3.703 3.960 0.061 0.000 0.220 29 G HA3 -0.294 3.703 3.960 0.061 0.000 0.220 29 G C 1.363 176.412 174.900 0.249 0.000 1.136 29 G CA 0.711 45.881 45.100 0.118 0.000 0.759 29 G HN 0.243 nan 8.290 nan 0.000 0.562 30 Y N 1.032 121.333 120.300 0.001 0.000 2.263 30 Y HA 0.187 4.773 4.550 0.061 0.000 0.292 30 Y C 3.076 178.979 175.900 0.004 0.000 1.130 30 Y CA -0.067 58.045 58.100 0.020 0.000 1.179 30 Y CB -0.993 37.481 38.460 0.024 0.000 0.998 30 Y HN 0.263 nan 8.280 nan 0.000 0.532 31 A N 0.046 122.963 122.820 0.162 0.000 1.940 31 A HA -0.251 4.106 4.320 0.061 0.000 0.219 31 A C 2.182 179.801 177.584 0.058 0.000 1.176 31 A CA 1.754 53.843 52.037 0.087 0.000 0.631 31 A CB -0.709 18.324 19.000 0.055 0.000 0.814 31 A HN 0.522 nan 8.150 nan 0.000 0.446 32 Q N -0.494 119.334 119.800 0.048 0.000 2.061 32 Q HA -0.159 4.218 4.340 0.061 0.000 0.204 32 Q C 2.127 178.113 176.000 -0.023 0.000 0.984 32 Q CA 1.637 57.447 55.803 0.012 0.000 0.846 32 Q CB -0.376 28.362 28.738 0.001 0.000 0.902 32 Q HN 0.698 nan 8.270 nan 0.000 0.421 33 L N 0.322 121.518 121.223 -0.045 0.000 2.046 33 L HA -0.182 4.194 4.340 0.061 0.000 0.208 33 L C 2.714 179.566 176.870 -0.030 0.000 1.077 33 L CA 0.864 55.638 54.840 -0.110 0.000 0.747 33 L CB -0.514 41.458 42.059 -0.145 0.000 0.896 33 L HN 0.205 nan 8.230 nan 0.000 0.432 34 R N 0.596 121.101 120.500 0.009 0.000 2.103 34 R HA -0.202 4.174 4.340 0.061 0.000 0.242 34 R C 1.472 177.794 176.300 0.036 0.000 1.142 34 R CA 2.096 58.215 56.100 0.033 0.000 0.960 34 R CB -0.410 29.924 30.300 0.058 0.000 0.858 34 R HN 0.388 nan 8.270 nan 0.000 0.439 35 D N -0.147 120.273 120.400 0.033 0.000 2.289 35 D HA -0.005 4.671 4.640 0.061 0.000 0.207 35 D C 0.109 176.431 176.300 0.038 0.000 0.966 35 D CA 0.522 54.543 54.000 0.035 0.000 0.868 35 D CB 0.007 40.827 40.800 0.033 0.000 0.943 35 D HN 0.124 nan 8.370 nan 0.000 0.514 36 T N 3.256 117.835 114.554 0.041 0.000 2.834 36 T HA 0.216 4.603 4.350 0.061 0.000 0.298 36 T C -2.329 172.417 174.700 0.077 0.000 0.966 36 T CA -1.158 60.986 62.100 0.073 0.000 1.141 36 T CB 1.335 70.273 68.868 0.116 0.000 0.905 36 T HN -0.073 nan 8.240 nan 0.000 0.535 37 P HA 0.387 nan 4.420 nan 0.000 0.267 37 P C 0.432 177.759 177.300 0.045 0.000 1.200 37 P CA 0.548 63.674 63.100 0.044 0.000 0.772 37 P CB 0.298 32.017 31.700 0.032 0.000 0.855 38 G N 3.095 111.907 108.800 0.020 0.000 2.663 38 G HA2 -0.098 3.898 3.960 0.061 0.000 0.686 38 G HA3 -0.098 3.898 3.960 0.061 0.000 0.686 38 G C -2.211 172.687 174.900 -0.003 0.000 1.246 38 G CA -0.483 44.617 45.100 -0.001 0.000 0.795 38 G HN 0.336 nan 8.290 nan 0.000 0.627 39 P HA 0.068 nan 4.420 nan 0.000 0.222 39 P C 0.848 178.118 177.300 -0.050 0.000 1.153 39 P CA 1.013 64.080 63.100 -0.055 0.000 0.798 39 P CB 0.262 31.903 31.700 -0.097 0.000 0.796 40 L N -1.153 120.038 121.223 -0.054 0.000 2.341 40 L HA 0.557 4.933 4.340 0.061 0.000 0.267 40 L C 0.079 177.065 176.870 0.192 0.000 1.009 40 L CA -0.917 53.922 54.840 -0.002 0.000 0.819 40 L CB 2.029 43.924 42.059 -0.273 0.000 1.323 40 L HN 0.004 nan 8.230 nan 0.000 0.425 41 H N 1.734 120.938 119.070 0.224 0.000 2.894 41 H HA 0.423 5.015 4.556 0.060 0.000 0.367 41 H C -1.020 174.405 175.328 0.162 0.000 1.144 41 H CA -0.766 55.405 56.048 0.205 0.000 1.180 41 H CB 2.349 32.141 29.762 0.049 0.000 1.758 41 H HN 0.565 nan 8.280 nan 0.000 0.541 42 R N 1.812 122.262 120.500 -0.083 0.000 2.543 42 R HA 0.353 4.729 4.340 0.061 0.000 0.277 42 R C -0.141 176.158 176.300 -0.002 0.000 1.074 42 R CA -0.306 55.619 56.100 -0.292 0.000 1.076 42 R CB 0.833 30.847 30.300 -0.476 0.000 0.993 42 R HN 0.350 nan 8.270 nan 0.000 0.459 43 V N -1.535 118.301 119.914 -0.130 0.000 3.130 43 V HA 0.597 4.753 4.120 0.061 0.000 0.310 43 V C -0.477 175.576 176.094 -0.068 0.000 1.158 43 V CA -0.895 61.378 62.300 -0.044 0.000 1.029 43 V CB 2.401 34.186 31.823 -0.063 0.000 1.057 43 V HN 0.660 nan 8.190 nan 0.000 0.436 44 T N 3.436 117.994 114.554 0.006 0.000 2.770 44 T HA 0.670 5.057 4.350 0.061 0.000 0.283 44 T C -0.119 174.611 174.700 0.051 0.000 0.988 44 T CA -0.298 61.797 62.100 -0.009 0.000 0.957 44 T CB 0.996 69.856 68.868 -0.014 0.000 0.930 44 T HN 0.651 nan 8.240 nan 0.000 0.443 45 L N 2.287 123.523 121.223 0.023 0.000 2.479 45 L HA 0.300 4.676 4.340 0.061 0.000 0.249 45 L C 1.939 178.834 176.870 0.042 0.000 1.178 45 L CA -0.861 54.029 54.840 0.084 0.000 0.811 45 L CB 0.200 42.295 42.059 0.060 0.000 1.187 45 L HN 0.806 nan 8.230 nan 0.000 0.480 46 Y N 0.146 120.461 120.300 0.023 0.000 2.315 46 Y HA -0.229 4.355 4.550 0.057 0.000 0.288 46 Y C 1.600 177.508 175.900 0.012 0.000 1.154 46 Y CA 1.087 59.196 58.100 0.014 0.000 1.229 46 Y CB -0.850 37.618 38.460 0.013 0.000 0.980 46 Y HN 0.693 nan 8.280 nan 0.000 0.540 47 D N -0.848 119.021 120.400 -0.886 0.000 2.328 47 D HA 0.184 4.860 4.640 0.061 0.000 0.221 47 D C 1.817 177.933 176.300 -0.307 0.000 1.072 47 D CA 0.437 54.007 54.000 -0.716 0.000 0.850 47 D CB -0.105 40.166 40.800 -0.881 0.000 0.922 47 D HN 0.573 nan 8.370 nan 0.000 0.516 48 G N 0.554 109.231 108.800 -0.205 0.000 2.199 48 G HA2 -0.316 3.681 3.960 0.061 0.000 0.254 48 G HA3 -0.316 3.681 3.960 0.061 0.000 0.254 48 G C 0.336 175.167 174.900 -0.115 0.000 0.982 48 G CA -0.116 44.911 45.100 -0.121 0.000 0.632 48 G HN 0.442 nan 8.290 nan 0.000 0.529 49 R N 0.657 121.074 120.500 -0.138 0.000 2.543 49 R HA 0.407 4.783 4.340 0.061 0.000 0.277 49 R C 0.405 176.634 176.300 -0.119 0.000 1.074 49 R CA -0.080 55.950 56.100 -0.118 0.000 1.076 49 R CB 0.513 30.747 30.300 -0.110 0.000 0.993 49 R HN 0.431 nan 8.270 nan 0.000 0.459 50 Q N 0.683 120.396 119.800 -0.144 0.000 2.259 50 Q HA 0.487 4.864 4.340 0.061 0.000 0.249 50 Q C -0.796 175.058 176.000 -0.244 0.000 0.914 50 Q CA -0.328 55.354 55.803 -0.203 0.000 0.904 50 Q CB 1.922 30.507 28.738 -0.255 0.000 1.213 50 Q HN 0.667 nan 8.270 nan 0.000 0.428 51 A N 2.235 124.885 122.820 -0.282 0.000 2.530 51 A HA 0.683 5.039 4.320 0.061 0.000 0.288 51 A C -1.992 175.363 177.584 -0.382 0.000 1.172 51 A CA -0.738 51.127 52.037 -0.286 0.000 0.733 51 A CB 0.875 19.769 19.000 -0.177 0.000 1.320 51 A HN 0.748 nan 8.150 nan 0.000 0.419 52 W N 0.162 121.368 121.300 -0.157 0.000 2.438 52 W HA 0.523 5.216 4.660 0.055 0.000 0.324 52 W C 0.038 176.409 176.519 -0.246 0.000 1.119 52 W CA -0.513 56.733 57.345 -0.167 0.000 1.221 52 W CB 1.852 31.231 29.460 -0.136 0.000 1.253 52 W HN 0.634 nan 8.180 nan 0.000 0.555 53 V N 0.633 120.553 119.914 0.009 0.000 2.581 53 V HA 0.730 4.886 4.120 0.061 0.000 0.303 53 V C -0.658 175.398 176.094 -0.063 0.000 1.041 53 V CA -1.211 60.978 62.300 -0.185 0.000 0.907 53 V CB 1.109 32.646 31.823 -0.476 0.000 0.994 53 V HN 0.291 nan 8.190 nan 0.000 0.442 54 V N 4.025 123.877 119.914 -0.102 0.000 2.407 54 V HA 0.500 4.657 4.120 0.061 0.000 0.278 54 V C 1.186 177.236 176.094 -0.073 0.000 1.037 54 V CA 0.530 62.784 62.300 -0.076 0.000 0.900 54 V CB 1.038 32.811 31.823 -0.082 0.000 0.983 54 V HN 1.162 nan 8.190 nan 0.000 0.459 55 T N 0.148 114.676 114.554 -0.043 0.000 3.043 55 T HA 0.335 4.721 4.350 0.061 0.000 0.272 55 T C 0.313 175.017 174.700 0.008 0.000 0.990 55 T CA -0.366 61.718 62.100 -0.028 0.000 0.897 55 T CB 0.267 69.123 68.868 -0.019 0.000 1.111 55 T HN 0.412 nan 8.240 nan 0.000 0.529 56 K N 0.575 120.978 120.400 0.006 0.000 2.385 56 K HA 0.362 4.719 4.320 0.061 0.000 0.248 56 K C 0.321 176.948 176.600 0.046 0.000 0.955 56 K CA -0.831 55.478 56.287 0.037 0.000 0.816 56 K CB 1.666 34.175 32.500 0.016 0.000 1.250 56 K HN 0.008 nan 8.250 nan 0.000 0.434 57 H N 1.472 120.538 119.070 -0.006 0.000 2.299 57 H HA -0.098 4.496 4.556 0.063 0.000 0.302 57 H C 1.200 176.490 175.328 -0.064 0.000 1.078 57 H CA 2.236 58.282 56.048 -0.003 0.000 1.323 57 H CB 0.656 30.431 29.762 0.022 0.000 1.381 57 H HN 0.690 nan 8.280 nan 0.000 0.498 58 E N 0.804 121.034 120.200 0.050 0.000 2.072 58 E HA -0.064 4.323 4.350 0.061 0.000 0.191 58 E C 2.307 178.820 176.600 -0.145 0.000 0.985 58 E CA 1.448 57.810 56.400 -0.062 0.000 0.801 58 E CB -0.474 29.210 29.700 -0.025 0.000 0.750 58 E HN 0.478 nan 8.360 nan 0.000 0.452 59 A N 0.738 123.496 122.820 -0.103 0.000 1.933 59 A HA -0.072 4.284 4.320 0.061 0.000 0.218 59 A C 2.416 179.916 177.584 -0.139 0.000 1.175 59 A CA 2.027 53.995 52.037 -0.114 0.000 0.628 59 A CB -0.960 17.985 19.000 -0.092 0.000 0.814 59 A HN 0.387 nan 8.150 nan 0.000 0.444 60 A N -0.090 122.638 122.820 -0.152 0.000 1.877 60 A HA -0.164 4.192 4.320 0.061 0.000 0.216 60 A C 2.236 179.693 177.584 -0.212 0.000 1.186 60 A CA 1.550 53.494 52.037 -0.155 0.000 0.620 60 A CB -0.465 18.446 19.000 -0.147 0.000 0.822 60 A HN 0.554 nan 8.150 nan 0.000 0.443 61 R N -0.502 119.770 120.500 -0.380 0.000 2.083 61 R HA -0.148 4.228 4.340 0.061 0.000 0.237 61 R C 2.390 178.417 176.300 -0.455 0.000 1.137 61 R CA 1.757 57.453 56.100 -0.674 0.000 0.951 61 R CB -0.300 29.427 30.300 -0.956 0.000 0.851 61 R HN 0.600 nan 8.270 nan 0.000 0.434 62 K N 0.937 121.170 120.400 -0.279 0.000 2.026 62 K HA -0.131 4.225 4.320 0.061 0.000 0.208 62 K C 1.974 178.534 176.600 -0.068 0.000 1.048 62 K CA 1.287 57.486 56.287 -0.145 0.000 0.929 62 K CB -0.022 32.405 32.500 -0.122 0.000 0.713 62 K HN 0.117 nan 8.250 nan 0.000 0.439 63 L N 0.666 121.844 121.223 -0.076 0.000 2.179 63 L HA -0.089 4.288 4.340 0.061 0.000 0.208 63 L C 2.176 179.057 176.870 0.018 0.000 1.096 63 L CA 0.506 55.322 54.840 -0.040 0.000 0.779 63 L CB -0.156 41.861 42.059 -0.069 0.000 0.922 63 L HN 0.196 nan 8.230 nan 0.000 0.443 64 L N -0.492 120.763 121.223 0.053 0.000 2.275 64 L HA -0.085 4.291 4.340 0.061 0.000 0.215 64 L C 2.316 179.320 176.870 0.224 0.000 1.119 64 L CA 1.053 55.986 54.840 0.156 0.000 0.790 64 L CB -0.658 41.542 42.059 0.236 0.000 0.919 64 L HN 0.297 nan 8.230 nan 0.000 0.443 65 G N -1.904 107.041 108.800 0.242 0.000 2.880 65 G HA2 -0.119 3.877 3.960 0.061 0.000 0.209 65 G HA3 -0.119 3.877 3.960 0.061 0.000 0.209 65 G C 0.269 175.238 174.900 0.116 0.000 1.157 65 G CA -0.195 45.050 45.100 0.242 0.000 0.779 65 G HN 0.131 nan 8.290 nan 0.000 0.539 66 D N 1.006 121.451 120.400 0.075 0.000 2.339 66 D HA 0.196 4.872 4.640 0.061 0.000 0.241 66 D C -1.182 175.143 176.300 0.042 0.000 1.183 66 D CA -2.144 51.880 54.000 0.040 0.000 0.859 66 D CB 2.123 42.929 40.800 0.010 0.000 1.067 66 D HN 0.046 nan 8.370 nan 0.000 0.484 67 P HA -0.035 nan 4.420 nan 0.000 0.230 67 P C 0.884 178.208 177.300 0.039 0.000 1.158 67 P CA 0.402 63.526 63.100 0.041 0.000 0.769 67 P CB 0.353 32.072 31.700 0.032 0.000 0.807 68 R N -0.633 119.884 120.500 0.027 0.000 2.280 68 R HA 0.119 4.495 4.340 0.061 0.000 0.207 68 R C 0.850 177.167 176.300 0.028 0.000 1.043 68 R CA 0.318 56.431 56.100 0.023 0.000 1.006 68 R CB -0.306 29.998 30.300 0.008 0.000 0.885 68 R HN 0.256 nan 8.270 nan 0.000 0.467 69 L N 1.536 122.778 121.223 0.032 0.000 2.272 69 L HA 0.191 4.567 4.340 0.061 0.000 0.284 69 L C 0.067 176.976 176.870 0.066 0.000 1.045 69 L CA -0.407 54.455 54.840 0.037 0.000 0.842 69 L CB 1.517 43.587 42.059 0.019 0.000 1.224 69 L HN -0.006 nan 8.230 nan 0.000 0.430 70 S N 1.332 117.083 115.700 0.085 0.000 2.586 70 S HA 0.203 4.709 4.470 0.061 0.000 0.274 70 S C 0.956 175.655 174.600 0.166 0.000 1.281 70 S CA -0.509 57.762 58.200 0.118 0.000 1.035 70 S CB 1.361 64.633 63.200 0.121 0.000 0.962 70 S HN 0.585 nan 8.310 nan 0.000 0.512 71 S N 3.099 118.884 115.700 0.141 0.000 2.634 71 S HA 0.138 4.644 4.470 0.061 0.000 0.221 71 S C 0.394 175.056 174.600 0.104 0.000 0.952 71 S CA -0.375 57.901 58.200 0.126 0.000 0.930 71 S CB -0.538 62.562 63.200 -0.168 0.000 0.780 71 S HN 0.753 nan 8.310 nan 0.000 0.498 72 N N 2.560 121.339 118.700 0.132 0.000 2.406 72 N HA 0.079 4.855 4.740 0.061 0.000 0.269 72 N C 0.793 176.237 175.510 -0.110 0.000 1.210 72 N CA -0.004 53.066 53.050 0.033 0.000 0.966 72 N CB 0.196 38.731 38.487 0.081 0.000 1.293 72 N HN 0.222 nan 8.380 nan 0.000 0.491 73 R N 0.718 120.975 120.500 -0.404 0.000 2.280 73 R HA -0.050 4.326 4.340 0.061 0.000 0.207 73 R C 1.464 177.587 176.300 -0.295 0.000 1.043 73 R CA 1.377 57.005 56.100 -0.787 0.000 1.006 73 R CB -0.045 29.832 30.300 -0.703 0.000 0.885 73 R HN 0.625 nan 8.270 nan 0.000 0.467 74 T N -1.746 112.729 114.554 -0.131 0.000 3.088 74 T HA -0.064 4.322 4.350 0.061 0.000 0.259 74 T C 0.738 175.457 174.700 0.031 0.000 1.122 74 T CA -0.059 62.019 62.100 -0.038 0.000 1.095 74 T CB -0.021 68.831 68.868 -0.026 0.000 0.930 74 T HN -0.042 nan 8.240 nan 0.000 0.508 75 D N 2.054 122.497 120.400 0.073 0.000 2.450 75 D HA -0.007 4.670 4.640 0.061 0.000 0.247 75 D C 0.399 176.791 176.300 0.153 0.000 1.162 75 D CA -0.008 54.066 54.000 0.123 0.000 0.879 75 D CB 0.867 41.767 40.800 0.167 0.000 1.163 75 D HN 0.104 nan 8.370 nan 0.000 0.472 76 D N 2.949 123.416 120.400 0.111 0.000 2.190 76 D HA -0.178 4.499 4.640 0.061 0.000 0.200 76 D C 0.957 177.331 176.300 0.125 0.000 0.992 76 D CA 0.955 55.019 54.000 0.107 0.000 0.854 76 D CB 0.161 41.003 40.800 0.071 0.000 0.936 76 D HN 0.469 nan 8.370 nan 0.000 0.462 77 N N -0.203 118.573 118.700 0.126 0.000 2.398 77 N HA -0.038 4.738 4.740 0.061 0.000 0.188 77 N C 0.132 175.717 175.510 0.124 0.000 1.122 77 N CA -0.193 52.916 53.050 0.099 0.000 0.866 77 N CB 0.006 38.532 38.487 0.066 0.000 0.970 77 N HN 0.151 nan 8.380 nan 0.000 0.462 78 F N 4.132 124.119 119.950 0.062 0.000 2.578 78 F HA 0.102 4.673 4.527 0.074 0.000 0.376 78 F C -1.507 174.328 175.800 0.058 0.000 1.085 78 F CA -1.811 56.232 58.000 0.072 0.000 1.260 78 F CB 0.748 39.818 39.000 0.117 0.000 1.095 78 F HN -0.027 nan 8.300 nan 0.000 0.573 79 P HA 0.107 nan 4.420 nan 0.000 0.241 79 P C -0.864 176.357 177.300 -0.132 0.000 1.760 79 P CA -0.048 62.902 63.100 -0.250 0.000 1.081 79 P CB -0.358 31.127 31.700 -0.358 0.000 1.975 80 A N 2.623 125.516 122.820 0.122 0.000 2.546 80 A HA 0.226 4.583 4.320 0.061 0.000 0.243 80 A C 1.465 179.118 177.584 0.116 0.000 1.063 80 A CA 0.379 52.467 52.037 0.084 0.000 0.757 80 A CB -0.106 19.141 19.000 0.413 0.000 0.991 80 A HN 0.486 nan 8.150 nan 0.000 0.503 81 T N -1.148 113.356 114.554 -0.083 0.000 3.054 81 T HA 0.409 4.795 4.350 0.061 0.000 0.255 81 T C 0.421 175.048 174.700 -0.121 0.000 1.035 81 T CA 0.489 62.609 62.100 0.034 0.000 0.941 81 T CB -0.583 68.262 68.868 -0.039 0.000 1.026 81 T HN 1.608 nan 8.240 nan 0.000 0.533 82 S N -0.242 115.238 115.700 -0.367 0.000 2.587 82 S HA 0.536 5.042 4.470 0.061 0.000 0.269 82 S C -2.918 171.261 174.600 -0.702 0.000 1.154 82 S CA -1.121 56.601 58.200 -0.797 0.000 0.824 82 S CB 1.496 64.504 63.200 -0.321 0.000 1.118 82 S HN -0.148 nan 8.310 nan 0.000 0.462 83 P HA 0.063 nan 4.420 nan 0.000 0.220 83 P C 1.575 178.849 177.300 -0.043 0.000 1.148 83 P CA 1.822 64.816 63.100 -0.176 0.000 0.803 83 P CB -0.219 31.430 31.700 -0.085 0.000 0.782 84 A N -0.905 121.879 122.820 -0.060 0.000 1.940 84 A HA -0.205 4.151 4.320 0.061 0.000 0.219 84 A C 1.986 179.594 177.584 0.040 0.000 1.176 84 A CA 1.234 53.266 52.037 -0.009 0.000 0.631 84 A CB -1.942 17.049 19.000 -0.014 0.000 0.814 84 A HN 0.146 nan 8.150 nan 0.000 0.446 85 F N 0.664 120.579 119.950 -0.058 0.000 2.494 85 F HA -0.082 4.475 4.527 0.049 0.000 0.298 85 F C 1.578 177.383 175.800 0.008 0.000 1.106 85 F CA 1.399 59.394 58.000 -0.008 0.000 1.452 85 F CB 0.004 39.026 39.000 0.036 0.000 1.085 85 F HN 0.212 nan 8.300 nan 0.000 0.569 86 E N -0.256 119.993 120.200 0.081 0.000 2.516 86 E HA 0.004 4.390 4.350 0.061 0.000 0.199 86 E C 1.952 178.518 176.600 -0.056 0.000 1.069 86 E CA 0.609 57.030 56.400 0.035 0.000 0.876 86 E CB -0.359 29.387 29.700 0.077 0.000 0.843 86 E HN 0.415 nan 8.360 nan 0.000 0.530 87 A N -0.383 122.364 122.820 -0.121 0.000 1.975 87 A HA -0.041 4.315 4.320 0.061 0.000 0.215 87 A C 2.172 179.648 177.584 -0.180 0.000 1.170 87 A CA 0.680 52.641 52.037 -0.127 0.000 0.656 87 A CB -0.089 18.840 19.000 -0.118 0.000 0.821 87 A HN 0.172 nan 8.150 nan 0.000 0.449 88 V N 0.870 120.597 119.914 -0.311 0.000 2.307 88 V HA -0.236 3.921 4.120 0.061 0.000 0.245 88 V C 2.357 178.307 176.094 -0.240 0.000 1.045 88 V CA 1.955 64.049 62.300 -0.342 0.000 1.024 88 V CB -1.007 30.452 31.823 -0.607 0.000 0.651 88 V HN 0.558 nan 8.190 nan 0.000 0.449 89 R N 0.488 120.860 120.500 -0.213 0.000 2.285 89 R HA -0.126 4.251 4.340 0.061 0.000 0.213 89 R C 2.041 178.296 176.300 -0.075 0.000 1.068 89 R CA 1.139 57.163 56.100 -0.127 0.000 1.004 89 R CB -0.211 30.051 30.300 -0.064 0.000 0.873 89 R HN 0.556 nan 8.270 nan 0.000 0.467 90 E N 1.173 121.328 120.200 -0.074 0.000 2.076 90 E HA 0.007 4.393 4.350 0.061 0.000 0.190 90 E C -0.041 176.534 176.600 -0.041 0.000 0.979 90 E CA 0.788 57.161 56.400 -0.045 0.000 0.807 90 E CB 0.374 30.050 29.700 -0.039 0.000 0.761 90 E HN 0.083 nan 8.360 nan 0.000 0.454 91 S N 0.471 116.137 115.700 -0.055 0.000 2.739 91 S HA 0.528 5.035 4.470 0.061 0.000 0.306 91 S C -2.596 171.976 174.600 -0.046 0.000 1.115 91 S CA -1.443 56.731 58.200 -0.042 0.000 0.985 91 S CB 1.309 64.485 63.200 -0.040 0.000 1.133 91 S HN 0.010 nan 8.310 nan 0.000 0.541 92 P HA 0.138 nan 4.420 nan 0.000 0.268 92 P C -0.759 176.518 177.300 -0.038 0.000 1.205 92 P CA -0.174 62.911 63.100 -0.024 0.000 0.771 92 P CB 0.305 32.000 31.700 -0.009 0.000 0.858 93 Q N 1.234 121.013 119.800 -0.035 0.000 2.293 93 Q HA 0.445 4.822 4.340 0.061 0.000 0.251 93 Q C 0.302 176.284 176.000 -0.031 0.000 0.930 93 Q CA -0.231 55.541 55.803 -0.052 0.000 0.893 93 Q CB 1.236 29.947 28.738 -0.045 0.000 1.215 93 Q HN 0.512 nan 8.270 nan 0.000 0.425 94 A N 1.801 124.574 122.820 -0.078 0.000 2.280 94 A HA 0.253 4.609 4.320 0.061 0.000 0.268 94 A C 0.726 178.271 177.584 -0.064 0.000 1.111 94 A CA -0.272 51.697 52.037 -0.113 0.000 0.814 94 A CB -0.123 18.721 19.000 -0.261 0.000 1.093 94 A HN 0.756 nan 8.150 nan 0.000 0.498 95 F N -0.975 119.016 119.950 0.070 0.000 2.408 95 F HA -0.082 4.471 4.527 0.043 0.000 0.300 95 F C 1.457 177.451 175.800 0.324 0.000 1.090 95 F CA 1.077 59.169 58.000 0.154 0.000 1.427 95 F CB -0.776 38.246 39.000 0.037 0.000 1.070 95 F HN 0.400 nan 8.300 nan 0.000 0.549 96 I N 1.024 121.593 120.570 -0.001 0.000 2.423 96 I HA -0.142 4.064 4.170 0.061 0.000 0.254 96 I C 2.150 178.287 176.117 0.034 0.000 1.151 96 I CA 1.611 62.971 61.300 0.100 0.000 1.421 96 I CB -0.480 37.467 38.000 -0.089 0.000 1.079 96 I HN 0.350 nan 8.210 nan 0.000 0.431 97 G N 0.476 109.296 108.800 0.034 0.000 3.393 97 G HA2 0.315 4.312 3.960 0.061 0.000 0.255 97 G HA3 0.315 4.312 3.960 0.061 0.000 0.255 97 G C 0.272 175.212 174.900 0.067 0.000 1.097 97 G CA -0.357 44.728 45.100 -0.026 0.000 0.780 97 G HN 0.175 nan 8.290 nan 0.000 0.540 98 L N 0.418 121.773 121.223 0.220 0.000 2.334 98 L HA 0.547 4.923 4.340 0.061 0.000 0.272 98 L C -0.754 176.299 176.870 0.306 0.000 1.020 98 L CA -1.131 53.858 54.840 0.249 0.000 0.812 98 L CB 1.852 44.079 42.059 0.280 0.000 1.264 98 L HN -0.078 nan 8.230 nan 0.000 0.439 99 D N 0.546 121.075 120.400 0.214 0.000 2.340 99 D HA 0.399 5.075 4.640 0.061 0.000 0.243 99 D C -2.474 173.922 176.300 0.160 0.000 0.988 99 D CA -1.457 52.649 54.000 0.176 0.000 0.959 99 D CB 1.479 42.354 40.800 0.125 0.000 1.226 99 D HN 0.138 nan 8.370 nan 0.000 0.509 100 P HA 0.033 nan 4.420 nan 0.000 0.266 100 P C -1.681 175.662 177.300 0.071 0.000 1.193 100 P CA -0.572 62.583 63.100 0.092 0.000 0.770 100 P CB 0.143 31.875 31.700 0.054 0.000 0.836 101 P HA 0.023 nan 4.420 nan 0.000 0.245 101 P C 0.755 178.083 177.300 0.045 0.000 1.203 101 P CA 0.852 63.978 63.100 0.042 0.000 0.792 101 P CB 0.369 32.082 31.700 0.022 0.000 0.997 102 E N -0.656 119.585 120.200 0.068 0.000 2.110 102 E HA -0.201 4.185 4.350 0.061 0.000 0.193 102 E C 2.142 178.789 176.600 0.078 0.000 0.988 102 E CA 0.860 57.299 56.400 0.065 0.000 0.804 102 E CB -1.053 28.695 29.700 0.081 0.000 0.745 102 E HN 0.459 nan 8.360 nan 0.000 0.458 103 H N 0.020 119.114 119.070 0.039 0.000 2.289 103 H HA -0.128 4.456 4.556 0.047 0.000 0.296 103 H C 2.060 177.337 175.328 -0.084 0.000 1.091 103 H CA 1.922 57.991 56.048 0.034 0.000 1.274 103 H CB -0.335 29.425 29.762 -0.002 0.000 1.364 103 H HN 0.276 nan 8.280 nan 0.000 0.490 104 G N -0.386 108.279 108.800 -0.225 0.000 2.402 104 G HA2 -0.296 3.700 3.960 0.061 0.000 0.216 104 G HA3 -0.296 3.700 3.960 0.061 0.000 0.216 104 G C 1.969 176.704 174.900 -0.275 0.000 1.162 104 G CA 1.753 46.669 45.100 -0.307 0.000 0.777 104 G HN 0.639 nan 8.290 nan 0.000 0.539 105 T N -0.857 113.601 114.554 -0.160 0.000 2.788 105 T HA -0.047 4.340 4.350 0.061 0.000 0.268 105 T C 2.362 176.971 174.700 -0.152 0.000 1.044 105 T CA 1.094 63.120 62.100 -0.123 0.000 1.139 105 T CB -0.129 68.703 68.868 -0.060 0.000 0.867 105 T HN 0.139 nan 8.240 nan 0.000 0.454 106 R N 0.957 121.353 120.500 -0.173 0.000 2.062 106 R HA 0.226 4.602 4.340 0.061 0.000 0.226 106 R C 2.736 178.771 176.300 -0.442 0.000 1.125 106 R CA 1.243 57.255 56.100 -0.146 0.000 0.966 106 R CB -0.842 29.496 30.300 0.064 0.000 0.861 106 R HN 0.479 nan 8.270 nan 0.000 0.433 107 R N 1.215 121.158 120.500 -0.927 0.000 2.103 107 R HA -0.090 4.287 4.340 0.061 0.000 0.242 107 R C 2.188 178.090 176.300 -0.664 0.000 1.142 107 R CA 1.586 56.840 56.100 -1.409 0.000 0.960 107 R CB -0.098 29.358 30.300 -1.405 0.000 0.858 107 R HN 0.098 nan 8.270 nan 0.000 0.439 108 R N -0.213 120.029 120.500 -0.430 0.000 2.200 108 R HA -0.106 4.271 4.340 0.061 0.000 0.234 108 R C 2.098 178.300 176.300 -0.164 0.000 1.127 108 R CA 1.582 57.536 56.100 -0.244 0.000 0.989 108 R CB -0.186 30.005 30.300 -0.183 0.000 0.869 108 R HN 0.375 nan 8.270 nan 0.000 0.459 109 M N -0.493 119.009 119.600 -0.163 0.000 2.557 109 M HA -0.066 4.450 4.480 0.061 0.000 0.259 109 M C 1.700 177.978 176.300 -0.036 0.000 1.086 109 M CA 1.420 56.672 55.300 -0.081 0.000 1.096 109 M CB 0.165 32.735 32.600 -0.050 0.000 1.424 109 M HN 0.178 nan 8.290 nan 0.000 0.488 110 T N -2.889 111.639 114.554 -0.043 0.000 2.959 110 T HA 0.166 4.553 4.350 0.061 0.000 0.254 110 T C 1.441 176.240 174.700 0.165 0.000 1.003 110 T CA -0.281 61.875 62.100 0.093 0.000 0.950 110 T CB -0.501 68.490 68.868 0.204 0.000 1.090 110 T HN 0.489 nan 8.240 nan 0.000 0.503 111 I N 1.692 122.286 120.570 0.041 0.000 2.454 111 I HA -0.042 4.164 4.170 0.061 0.000 0.254 111 I C 2.398 178.586 176.117 0.118 0.000 1.156 111 I CA 1.345 62.697 61.300 0.087 0.000 1.433 111 I CB -0.827 37.151 38.000 -0.037 0.000 1.082 111 I HN 0.306 nan 8.210 nan 0.000 0.432 112 S N 0.814 116.542 115.700 0.047 0.000 2.474 112 S HA -0.081 4.425 4.470 0.061 0.000 0.235 112 S C 1.657 176.239 174.600 -0.030 0.000 0.997 112 S CA 0.811 59.013 58.200 0.004 0.000 0.949 112 S CB -0.476 62.711 63.200 -0.022 0.000 0.766 112 S HN 0.566 nan 8.310 nan 0.000 0.517 113 E N 0.229 120.397 120.200 -0.053 0.000 2.435 113 E HA 0.125 4.512 4.350 0.061 0.000 0.195 113 E C 0.044 176.329 176.600 -0.526 0.000 1.029 113 E CA 0.460 56.667 56.400 -0.321 0.000 0.865 113 E CB -0.123 29.276 29.700 -0.502 0.000 0.833 113 E HN 0.756 nan 8.360 nan 0.000 0.510 114 F N 0.469 120.406 119.950 -0.022 0.000 2.724 114 F HA 0.066 4.632 4.527 0.064 0.000 0.310 114 F C 1.015 176.795 175.800 -0.033 0.000 1.107 114 F CA -0.467 57.519 58.000 -0.024 0.000 1.218 114 F CB 0.285 39.272 39.000 -0.022 0.000 1.042 114 F HN -0.238 nan 8.300 nan 0.000 0.540 115 T N -1.600 112.999 114.554 0.074 0.000 2.855 115 T HA 0.129 4.516 4.350 0.061 0.000 0.314 115 T C 1.701 176.414 174.700 0.023 0.000 1.077 115 T CA -0.021 62.101 62.100 0.037 0.000 1.095 115 T CB 1.357 70.229 68.868 0.007 0.000 0.987 115 T HN 0.115 nan 8.240 nan 0.000 0.546 116 V N 0.146 120.069 119.914 0.015 0.000 2.332 116 V HA -0.134 4.023 4.120 0.061 0.000 0.248 116 V C 2.616 178.711 176.094 0.002 0.000 1.055 116 V CA 1.925 64.231 62.300 0.010 0.000 1.038 116 V CB -1.290 30.537 31.823 0.007 0.000 0.651 116 V HN 0.997 nan 8.190 nan 0.000 0.450 117 K N -0.311 120.087 120.400 -0.003 0.000 2.026 117 K HA -0.173 4.183 4.320 0.061 0.000 0.208 117 K C 2.538 179.128 176.600 -0.016 0.000 1.048 117 K CA 1.439 57.721 56.287 -0.009 0.000 0.929 117 K CB -0.134 32.360 32.500 -0.011 0.000 0.713 117 K HN 0.327 nan 8.250 nan 0.000 0.439 118 R N 0.609 121.094 120.500 -0.025 0.000 2.081 118 R HA -0.077 4.299 4.340 0.061 0.000 0.235 118 R C 2.235 178.509 176.300 -0.044 0.000 1.131 118 R CA 0.950 57.022 56.100 -0.047 0.000 0.960 118 R CB -0.656 29.596 30.300 -0.079 0.000 0.856 118 R HN 0.297 nan 8.270 nan 0.000 0.436 119 I N 1.278 121.832 120.570 -0.026 0.000 2.226 119 I HA -0.239 3.968 4.170 0.061 0.000 0.245 119 I C 2.393 178.506 176.117 -0.006 0.000 1.100 119 I CA 1.153 62.446 61.300 -0.012 0.000 1.374 119 I CB -0.981 37.029 38.000 0.017 0.000 1.057 119 I HN 0.188 nan 8.210 nan 0.000 0.413 120 K N 1.022 121.420 120.400 -0.003 0.000 2.032 120 K HA -0.161 4.196 4.320 0.061 0.000 0.209 120 K C 2.111 178.709 176.600 -0.004 0.000 1.048 120 K CA 1.716 58.003 56.287 0.000 0.000 0.927 120 K CB -0.446 32.055 32.500 0.001 0.000 0.712 120 K HN 0.356 nan 8.250 nan 0.000 0.441 121 G N 0.693 109.486 108.800 -0.012 0.000 2.470 121 G HA2 -0.208 3.788 3.960 0.061 0.000 0.220 121 G HA3 -0.208 3.788 3.960 0.061 0.000 0.220 121 G C 1.289 176.179 174.900 -0.016 0.000 1.121 121 G CA 0.574 45.665 45.100 -0.015 0.000 0.766 121 G HN 0.279 nan 8.290 nan 0.000 0.553 122 M N -0.464 119.124 119.600 -0.020 0.000 2.558 122 M HA 0.159 4.676 4.480 0.061 0.000 0.255 122 M C 2.366 178.662 176.300 -0.005 0.000 1.113 122 M CA 0.128 55.416 55.300 -0.020 0.000 1.097 122 M CB 0.019 32.599 32.600 -0.033 0.000 1.426 122 M HN 0.205 nan 8.290 nan 0.000 0.488 123 R N 1.441 121.943 120.500 0.003 0.000 2.094 123 R HA -0.164 4.213 4.340 0.061 0.000 0.239 123 R C -0.959 175.354 176.300 0.021 0.000 1.137 123 R CA 1.940 58.049 56.100 0.015 0.000 0.943 123 R CB -1.286 29.025 30.300 0.018 0.000 0.850 123 R HN 0.155 nan 8.270 nan 0.000 0.433 124 P HA -0.193 nan 4.420 nan 0.000 0.215 124 P C 0.765 178.077 177.300 0.021 0.000 1.153 124 P CA 1.459 64.570 63.100 0.019 0.000 0.853 124 P CB -0.146 31.560 31.700 0.009 0.000 0.788 125 E N -0.215 119.990 120.200 0.009 0.000 2.051 125 E HA -0.153 4.233 4.350 0.061 0.000 0.192 125 E C 1.803 178.410 176.600 0.010 0.000 0.991 125 E CA 1.375 57.777 56.400 0.003 0.000 0.799 125 E CB -0.376 29.318 29.700 -0.009 0.000 0.748 125 E HN -0.053 nan 8.360 nan 0.000 0.449 126 V N 1.464 121.384 119.914 0.011 0.000 2.343 126 V HA -0.243 3.913 4.120 0.061 0.000 0.247 126 V C 2.151 178.266 176.094 0.035 0.000 1.051 126 V CA 2.195 64.501 62.300 0.011 0.000 1.036 126 V CB -0.556 31.270 31.823 0.005 0.000 0.654 126 V HN 0.297 nan 8.190 nan 0.000 0.451 127 E N -0.100 120.138 120.200 0.064 0.000 2.077 127 E HA -0.277 4.109 4.350 0.061 0.000 0.193 127 E C 2.249 178.958 176.600 0.181 0.000 0.989 127 E CA 1.415 57.897 56.400 0.137 0.000 0.800 127 E CB -0.124 29.670 29.700 0.156 0.000 0.746 127 E HN 0.725 nan 8.360 nan 0.000 0.452 128 E N 0.763 121.026 120.200 0.105 0.000 2.051 128 E HA -0.186 4.200 4.350 0.061 0.000 0.192 128 E C 2.126 178.770 176.600 0.073 0.000 0.991 128 E CA 1.287 57.735 56.400 0.080 0.000 0.799 128 E CB 0.148 29.864 29.700 0.027 0.000 0.748 128 E HN 0.030 nan 8.360 nan 0.000 0.449 129 V N 0.431 120.379 119.914 0.057 0.000 2.295 129 V HA -0.233 3.923 4.120 0.061 0.000 0.246 129 V C 2.426 178.627 176.094 0.178 0.000 1.049 129 V CA 1.420 63.771 62.300 0.085 0.000 1.024 129 V CB -0.283 31.579 31.823 0.066 0.000 0.648 129 V HN 0.219 nan 8.190 nan 0.000 0.447 130 V N -0.406 119.573 119.914 0.107 0.000 2.255 130 V HA -0.284 3.872 4.120 0.061 0.000 0.247 130 V C 2.446 178.623 176.094 0.137 0.000 1.051 130 V CA 2.183 64.550 62.300 0.112 0.000 1.018 130 V CB -0.866 30.944 31.823 -0.022 0.000 0.641 130 V HN 0.608 nan 8.190 nan 0.000 0.445 131 H N 0.029 119.182 119.070 0.137 0.000 2.423 131 H HA -0.061 4.532 4.556 0.061 0.000 0.297 131 H C 2.346 177.700 175.328 0.042 0.000 1.075 131 H CA 1.478 57.571 56.048 0.076 0.000 1.342 131 H CB -0.553 29.227 29.762 0.030 0.000 1.395 131 H HN 0.499 nan 8.280 nan 0.000 0.530 132 G N 0.240 109.106 108.800 0.109 0.000 2.433 132 G HA2 -0.228 3.768 3.960 0.061 0.000 0.216 132 G HA3 -0.228 3.768 3.960 0.061 0.000 0.216 132 G C 1.377 176.220 174.900 -0.095 0.000 1.186 132 G CA 0.415 45.480 45.100 -0.058 0.000 0.779 132 G HN 0.238 nan 8.290 nan 0.000 0.543 133 F N -0.207 119.793 119.950 0.083 0.000 2.293 133 F HA 0.123 4.687 4.527 0.061 0.000 0.300 133 F C 2.389 178.267 175.800 0.131 0.000 1.086 133 F CA 0.224 58.299 58.000 0.125 0.000 1.375 133 F CB -0.208 38.891 39.000 0.163 0.000 1.045 133 F HN 0.032 nan 8.300 nan 0.000 0.516 134 L N 0.135 121.506 121.223 0.247 0.000 2.027 134 L HA -0.187 4.190 4.340 0.061 0.000 0.206 134 L C 1.969 178.823 176.870 -0.027 0.000 1.074 134 L CA 1.711 56.539 54.840 -0.020 0.000 0.745 134 L CB -1.073 40.919 42.059 -0.111 0.000 0.898 134 L HN -0.033 nan 8.230 nan 0.000 0.433 135 D N -0.448 119.966 120.400 0.024 0.000 2.154 135 D HA -0.285 4.391 4.640 0.061 0.000 0.190 135 D C 2.114 178.420 176.300 0.011 0.000 1.003 135 D CA 1.710 55.716 54.000 0.009 0.000 0.849 135 D CB 0.033 40.835 40.800 0.003 0.000 0.942 135 D HN 0.475 nan 8.370 nan 0.000 0.446 136 E N -0.377 119.837 120.200 0.023 0.000 2.028 136 E HA -0.139 4.248 4.350 0.061 0.000 0.191 136 E C 2.168 178.819 176.600 0.085 0.000 0.988 136 E CA 0.629 57.058 56.400 0.048 0.000 0.799 136 E CB -0.113 29.616 29.700 0.048 0.000 0.755 136 E HN 0.183 nan 8.360 nan 0.000 0.447 137 M N 0.434 120.087 119.600 0.088 0.000 2.117 137 M HA -0.179 4.337 4.480 0.061 0.000 0.262 137 M C 2.022 178.385 176.300 0.105 0.000 1.065 137 M CA 1.422 56.777 55.300 0.092 0.000 1.114 137 M CB -0.011 32.594 32.600 0.009 0.000 1.361 137 M HN 0.203 nan 8.290 nan 0.000 0.408 138 L N -0.127 121.072 121.223 -0.041 0.000 2.056 138 L HA -0.133 4.243 4.340 0.061 0.000 0.207 138 L C 2.789 179.787 176.870 0.213 0.000 1.078 138 L CA 1.119 55.965 54.840 0.010 0.000 0.749 138 L CB -1.080 40.872 42.059 -0.179 0.000 0.901 138 L HN 0.387 nan 8.230 nan 0.000 0.433 139 A N 0.316 123.206 122.820 0.118 0.000 1.908 139 A HA -0.203 4.153 4.320 0.061 0.000 0.218 139 A C 2.525 180.186 177.584 0.127 0.000 1.181 139 A CA 1.806 53.907 52.037 0.107 0.000 0.627 139 A CB -0.719 18.319 19.000 0.064 0.000 0.818 139 A HN 0.408 nan 8.150 nan 0.000 0.445 140 A N -1.253 121.655 122.820 0.145 0.000 2.019 140 A HA 0.367 4.723 4.320 0.061 0.000 0.219 140 A C 1.730 179.400 177.584 0.144 0.000 1.164 140 A CA 1.656 53.774 52.037 0.135 0.000 0.644 140 A CB -1.309 17.778 19.000 0.145 0.000 0.805 140 A HN 2.280 nan 8.150 nan 0.000 0.449 141 G N -1.500 107.456 108.800 0.261 0.000 2.758 141 G HA2 -0.032 3.964 3.960 0.061 0.000 0.686 141 G HA3 -0.032 3.964 3.960 0.061 0.000 0.686 141 G C -2.654 172.190 174.900 -0.093 0.000 1.389 141 G CA -0.341 44.843 45.100 0.140 0.000 0.845 141 G HN 0.477 nan 8.290 nan 0.000 0.572 142 P HA 0.412 nan 4.420 nan 0.000 0.274 142 P C 0.133 177.221 177.300 -0.353 0.000 1.246 142 P CA -0.047 62.533 63.100 -0.867 0.000 0.795 142 P CB 1.115 32.009 31.700 -1.343 0.000 1.006 143 T N 0.318 114.747 114.554 -0.208 0.000 2.889 143 T HA 0.543 4.929 4.350 0.061 0.000 0.291 143 T C -0.249 174.452 174.700 0.002 0.000 0.995 143 T CA 0.001 62.014 62.100 -0.145 0.000 1.092 143 T CB -0.073 68.749 68.868 -0.076 0.000 0.954 143 T HN 0.522 nan 8.240 nan 0.000 0.506 144 A N 2.945 125.845 122.820 0.134 0.000 2.413 144 A HA 0.603 4.959 4.320 0.061 0.000 0.307 144 A C -0.762 176.924 177.584 0.170 0.000 1.087 144 A CA -0.811 51.354 52.037 0.212 0.000 0.750 144 A CB 1.364 20.593 19.000 0.383 0.000 1.296 144 A HN 0.736 nan 8.150 nan 0.000 0.423 145 D N 1.595 122.075 120.400 0.134 0.000 2.365 145 D HA 0.237 4.914 4.640 0.061 0.000 0.237 145 D C 0.776 177.154 176.300 0.129 0.000 1.190 145 D CA -0.357 53.710 54.000 0.111 0.000 0.867 145 D CB 0.751 41.600 40.800 0.082 0.000 1.050 145 D HN 0.288 nan 8.370 nan 0.000 0.491 146 L N 4.605 125.908 121.223 0.133 0.000 2.131 146 L HA -0.121 4.255 4.340 0.061 0.000 0.210 146 L C 1.810 178.775 176.870 0.159 0.000 1.092 146 L CA 1.296 56.230 54.840 0.157 0.000 0.759 146 L CB -0.077 42.067 42.059 0.142 0.000 0.903 146 L HN 0.437 nan 8.230 nan 0.000 0.435 147 V N -0.799 119.176 119.914 0.102 0.000 2.223 147 V HA -0.269 3.887 4.120 0.061 0.000 0.244 147 V C 2.582 178.702 176.094 0.044 0.000 1.045 147 V CA 1.946 64.283 62.300 0.062 0.000 1.000 147 V CB -1.071 30.777 31.823 0.043 0.000 0.635 147 V HN 0.710 nan 8.190 nan 0.000 0.445 148 S N -0.291 115.441 115.700 0.054 0.000 2.428 148 S HA -0.181 4.325 4.470 0.061 0.000 0.230 148 S C 1.738 176.373 174.600 0.057 0.000 1.014 148 S CA 1.111 59.338 58.200 0.045 0.000 0.957 148 S CB -0.347 62.884 63.200 0.052 0.000 0.784 148 S HN 0.714 nan 8.310 nan 0.000 0.499 149 Q N -1.238 118.624 119.800 0.104 0.000 2.392 149 Q HA 0.359 4.735 4.340 0.061 0.000 0.203 149 Q C 0.902 177.022 176.000 0.201 0.000 0.917 149 Q CA 0.404 56.300 55.803 0.155 0.000 0.939 149 Q CB 0.235 29.082 28.738 0.181 0.000 1.063 149 Q HN 0.682 nan 8.270 nan 0.000 0.516 150 F N -1.232 118.670 119.950 -0.079 0.000 1.827 150 F HA 0.316 4.880 4.527 0.062 0.000 0.264 150 F C 1.474 177.175 175.800 -0.165 0.000 1.109 150 F CA 0.653 58.579 58.000 -0.122 0.000 1.264 150 F CB -0.473 38.498 39.000 -0.049 0.000 1.648 150 F HN -0.153 nan 8.300 nan 0.000 0.513 151 A N 1.478 124.206 122.820 -0.154 0.000 1.933 151 A HA -0.047 4.309 4.320 0.061 0.000 0.218 151 A C 2.013 179.440 177.584 -0.261 0.000 1.175 151 A CA 1.881 53.769 52.037 -0.250 0.000 0.628 151 A CB -0.917 18.065 19.000 -0.031 0.000 0.814 151 A HN 0.489 nan 8.150 nan 0.000 0.444 152 L N -0.019 121.091 121.223 -0.188 0.000 2.130 152 L HA 0.045 4.421 4.340 0.061 0.000 0.200 152 L C -0.914 175.809 176.870 -0.245 0.000 1.075 152 L CA 1.707 56.462 54.840 -0.141 0.000 0.768 152 L CB -1.516 40.525 42.059 -0.028 0.000 0.933 152 L HN 0.193 nan 8.230 nan 0.000 0.451 153 P HA -0.103 nan 4.420 nan 0.000 0.218 153 P C 2.091 178.945 177.300 -0.743 0.000 1.149 153 P CA 1.087 63.842 63.100 -0.574 0.000 0.817 153 P CB 0.081 31.180 31.700 -1.001 0.000 0.785 154 V N 2.501 121.950 119.914 -0.775 0.000 2.223 154 V HA -0.137 4.020 4.120 0.061 0.000 0.244 154 V C -0.087 175.816 176.094 -0.318 0.000 1.045 154 V CA 3.089 65.077 62.300 -0.521 0.000 1.000 154 V CB -2.500 28.969 31.823 -0.589 0.000 0.635 154 V HN 0.186 nan 8.190 nan 0.000 0.445 155 P HA -0.111 nan 4.420 nan 0.000 0.221 155 P C 1.954 179.093 177.300 -0.269 0.000 1.150 155 P CA 1.753 64.727 63.100 -0.209 0.000 0.800 155 P CB -0.022 31.581 31.700 -0.161 0.000 0.787 156 S N -0.406 115.062 115.700 -0.386 0.000 2.348 156 S HA -0.176 4.330 4.470 0.061 0.000 0.221 156 S C 2.061 176.611 174.600 -0.082 0.000 1.033 156 S CA 1.433 59.306 58.200 -0.545 0.000 1.010 156 S CB -0.898 62.161 63.200 -0.234 0.000 0.891 156 S HN 0.021 nan 8.310 nan 0.000 0.442 157 M N 0.724 120.263 119.600 -0.101 0.000 2.117 157 M HA -0.076 4.440 4.480 0.061 0.000 0.262 157 M C 1.864 178.120 176.300 -0.073 0.000 1.065 157 M CA 1.576 56.754 55.300 -0.203 0.000 1.114 157 M CB -0.237 32.122 32.600 -0.400 0.000 1.361 157 M HN 0.282 nan 8.290 nan 0.000 0.408 158 V N 0.395 120.260 119.914 -0.083 0.000 2.261 158 V HA -0.270 3.886 4.120 0.061 0.000 0.246 158 V C 2.277 178.359 176.094 -0.020 0.000 1.047 158 V CA 1.900 64.170 62.300 -0.049 0.000 1.015 158 V CB -0.703 31.087 31.823 -0.054 0.000 0.642 158 V HN 0.541 nan 8.190 nan 0.000 0.446 159 I N -0.524 120.035 120.570 -0.018 0.000 2.394 159 I HA -0.202 4.005 4.170 0.061 0.000 0.251 159 I C 2.339 178.491 176.117 0.058 0.000 1.136 159 I CA 1.363 62.682 61.300 0.031 0.000 1.425 159 I CB -0.420 37.620 38.000 0.066 0.000 1.079 159 I HN 0.330 nan 8.210 nan 0.000 0.425 160 C N 0.302 119.655 119.300 0.087 0.000 2.429 160 C HA -0.105 4.391 4.460 0.061 0.000 0.277 160 C C 2.795 177.858 174.990 0.122 0.000 1.262 160 C CA 0.472 59.571 59.018 0.135 0.000 1.733 160 C CB -1.221 26.701 27.740 0.303 0.000 2.010 160 C HN 0.428 nan 8.230 nan 0.000 0.483 161 R N 0.521 121.074 120.500 0.088 0.000 2.081 161 R HA -0.066 4.310 4.340 0.061 0.000 0.235 161 R C 2.126 178.443 176.300 0.028 0.000 1.131 161 R CA 1.101 57.237 56.100 0.060 0.000 0.960 161 R CB -1.275 29.040 30.300 0.025 0.000 0.856 161 R HN 0.597 nan 8.270 nan 0.000 0.436 162 L N 0.633 121.852 121.223 -0.006 0.000 2.046 162 L HA -0.136 4.241 4.340 0.061 0.000 0.208 162 L C 2.041 178.894 176.870 -0.027 0.000 1.077 162 L CA 1.347 56.151 54.840 -0.060 0.000 0.747 162 L CB -0.104 41.883 42.059 -0.120 0.000 0.896 162 L HN 0.122 nan 8.230 nan 0.000 0.432 163 L N -0.759 120.481 121.223 0.027 0.000 2.341 163 L HA 0.148 4.525 4.340 0.061 0.000 0.214 163 L C 1.496 178.416 176.870 0.083 0.000 1.115 163 L CA 0.625 55.494 54.840 0.049 0.000 0.820 163 L CB -0.426 41.676 42.059 0.072 0.000 0.944 163 L HN 0.523 nan 8.230 nan 0.000 0.452 164 G N 0.491 109.368 108.800 0.129 0.000 2.149 164 G HA2 -0.228 3.768 3.960 0.061 0.000 0.235 164 G HA3 -0.228 3.768 3.960 0.061 0.000 0.235 164 G C 0.047 175.123 174.900 0.293 0.000 1.018 164 G CA -0.025 45.223 45.100 0.248 0.000 0.728 164 G HN 0.092 nan 8.290 nan 0.000 0.508 165 V N 1.814 121.850 119.914 0.205 0.000 2.432 165 V HA 0.403 4.560 4.120 0.061 0.000 0.271 165 V C -1.478 174.779 176.094 0.273 0.000 1.046 165 V CA -1.417 61.001 62.300 0.198 0.000 0.945 165 V CB 1.428 33.278 31.823 0.045 0.000 0.992 165 V HN 0.182 nan 8.190 nan 0.000 0.471 166 P HA 0.077 nan 4.420 nan 0.000 0.271 166 P C 0.055 177.654 177.300 0.498 0.000 1.233 166 P CA -0.037 63.263 63.100 0.332 0.000 0.764 166 P CB 0.287 32.132 31.700 0.241 0.000 0.825 167 Y N 3.879 124.393 120.300 0.356 0.000 2.574 167 Y HA -0.125 4.461 4.550 0.060 0.000 0.294 167 Y C 2.184 178.321 175.900 0.396 0.000 1.142 167 Y CA 1.358 59.714 58.100 0.427 0.000 1.314 167 Y CB -0.487 38.140 38.460 0.279 0.000 0.991 167 Y HN 0.448 nan 8.280 nan 0.000 0.555 168 A N -0.533 122.470 122.820 0.305 0.000 2.070 168 A HA -0.161 4.195 4.320 0.061 0.000 0.220 168 A C 1.501 179.096 177.584 0.018 0.000 1.159 168 A CA 1.835 53.979 52.037 0.178 0.000 0.656 168 A CB -0.402 18.687 19.000 0.148 0.000 0.800 168 A HN 0.437 nan 8.150 nan 0.000 0.453 169 D N -0.931 119.500 120.400 0.051 0.000 2.342 169 D HA -0.008 4.669 4.640 0.061 0.000 0.221 169 D C 1.391 177.262 176.300 -0.716 0.000 1.101 169 D CA 0.369 54.302 54.000 -0.111 0.000 0.837 169 D CB -0.398 40.527 40.800 0.208 0.000 0.938 169 D HN 0.821 nan 8.370 nan 0.000 0.508 170 H N 0.550 119.019 119.070 -1.001 0.000 2.387 170 H HA -0.035 4.557 4.556 0.060 0.000 0.299 170 H C 1.213 175.908 175.328 -1.056 0.000 1.099 170 H CA 0.947 55.979 56.048 -1.693 0.000 1.315 170 H CB -0.039 28.800 29.762 -1.539 0.000 1.380 170 H HN 0.184 nan 8.280 nan 0.000 0.513 171 E N 0.316 119.864 120.200 -1.086 0.000 2.085 171 E HA -0.156 4.230 4.350 0.061 0.000 0.194 171 E C 2.084 178.439 176.600 -0.410 0.000 0.994 171 E CA 1.220 57.264 56.400 -0.594 0.000 0.801 171 E CB -0.300 29.117 29.700 -0.472 0.000 0.743 171 E HN 0.401 nan 8.360 nan 0.000 0.453 172 F N 1.882 121.522 119.950 -0.518 0.000 2.046 172 F HA -0.264 4.299 4.527 0.060 0.000 0.297 172 F C 2.122 177.722 175.800 -0.333 0.000 1.123 172 F CA 1.886 59.662 58.000 -0.373 0.000 1.199 172 F CB -0.496 38.298 39.000 -0.343 0.000 0.972 172 F HN 0.040 nan 8.300 nan 0.000 0.474 173 F N 0.283 119.961 119.950 -0.454 0.000 2.367 173 F HA 0.077 4.642 4.527 0.062 0.000 0.298 173 F C 2.081 177.632 175.800 -0.414 0.000 1.094 173 F CA 0.802 58.472 58.000 -0.550 0.000 1.409 173 F CB -1.677 37.114 39.000 -0.348 0.000 1.064 173 F HN 0.101 nan 8.300 nan 0.000 0.528 174 Q N 0.705 120.346 119.800 -0.264 0.000 2.079 174 Q HA -0.197 4.180 4.340 0.061 0.000 0.200 174 Q C 1.748 177.648 176.000 -0.167 0.000 0.974 174 Q CA 1.818 57.557 55.803 -0.107 0.000 0.840 174 Q CB -0.442 28.269 28.738 -0.045 0.000 0.898 174 Q HN 0.581 nan 8.270 nan 0.000 0.430 175 D N 0.275 120.525 120.400 -0.250 0.000 2.117 175 D HA -0.165 4.512 4.640 0.061 0.000 0.197 175 D C 1.781 177.930 176.300 -0.253 0.000 0.987 175 D CA 1.454 55.320 54.000 -0.223 0.000 0.829 175 D CB -0.007 40.657 40.800 -0.226 0.000 0.961 175 D HN 0.244 nan 8.370 nan 0.000 0.460 176 A N -0.319 122.266 122.820 -0.392 0.000 1.902 176 A HA -0.138 4.218 4.320 0.061 0.000 0.217 176 A C 2.338 179.789 177.584 -0.221 0.000 1.181 176 A CA 1.936 53.761 52.037 -0.354 0.000 0.623 176 A CB -1.030 17.646 19.000 -0.540 0.000 0.818 176 A HN 0.282 nan 8.150 nan 0.000 0.443 177 S N -0.596 114.979 115.700 -0.209 0.000 2.348 177 S HA -0.208 4.298 4.470 0.061 0.000 0.221 177 S C 2.147 176.683 174.600 -0.106 0.000 1.033 177 S CA 1.937 60.040 58.200 -0.162 0.000 1.010 177 S CB -0.311 62.757 63.200 -0.220 0.000 0.891 177 S HN 0.621 nan 8.310 nan 0.000 0.442 178 K N 0.379 120.721 120.400 -0.096 0.000 2.063 178 K HA -0.099 4.257 4.320 0.061 0.000 0.208 178 K C 2.419 178.980 176.600 -0.066 0.000 1.048 178 K CA 1.269 57.518 56.287 -0.064 0.000 0.928 178 K CB -0.163 32.303 32.500 -0.057 0.000 0.713 178 K HN 0.270 nan 8.250 nan 0.000 0.442 179 R N 0.219 120.666 120.500 -0.088 0.000 2.081 179 R HA -0.147 4.230 4.340 0.061 0.000 0.235 179 R C 2.384 178.645 176.300 -0.065 0.000 1.131 179 R CA 1.274 57.328 56.100 -0.076 0.000 0.960 179 R CB -0.377 29.869 30.300 -0.090 0.000 0.856 179 R HN 0.184 nan 8.270 nan 0.000 0.436 180 L N 0.553 121.731 121.223 -0.074 0.000 2.027 180 L HA -0.128 4.248 4.340 0.061 0.000 0.206 180 L C 2.073 178.918 176.870 -0.042 0.000 1.074 180 L CA 1.570 56.373 54.840 -0.062 0.000 0.745 180 L CB -0.287 41.728 42.059 -0.074 0.000 0.898 180 L HN -0.090 nan 8.230 nan 0.000 0.433 181 V N -0.782 119.109 119.914 -0.038 0.000 2.515 181 V HA -0.251 3.905 4.120 0.061 0.000 0.250 181 V C 2.105 178.188 176.094 -0.019 0.000 1.058 181 V CA 1.641 63.929 62.300 -0.020 0.000 1.064 181 V CB -0.739 31.076 31.823 -0.013 0.000 0.675 181 V HN 0.545 nan 8.190 nan 0.000 0.461 182 Q N -0.216 119.567 119.800 -0.028 0.000 2.320 182 Q HA 0.168 4.544 4.340 0.061 0.000 0.201 182 Q C 0.939 176.920 176.000 -0.031 0.000 0.910 182 Q CA -0.107 55.679 55.803 -0.028 0.000 0.946 182 Q CB 0.464 29.184 28.738 -0.029 0.000 1.062 182 Q HN 0.507 nan 8.270 nan 0.000 0.503 183 S N 0.722 116.404 115.700 -0.031 0.000 2.516 183 S HA 0.044 4.551 4.470 0.061 0.000 0.282 183 S C 1.133 175.713 174.600 -0.033 0.000 1.286 183 S CA 0.012 58.193 58.200 -0.032 0.000 1.066 183 S CB 0.728 63.908 63.200 -0.033 0.000 0.884 183 S HN 0.412 nan 8.310 nan 0.000 0.491 184 T N 0.771 115.304 114.554 -0.036 0.000 3.023 184 T HA 0.229 4.615 4.350 0.061 0.000 0.253 184 T C 0.111 174.782 174.700 -0.047 0.000 1.038 184 T CA -0.086 61.989 62.100 -0.043 0.000 0.962 184 T CB -0.179 68.667 68.868 -0.037 0.000 1.018 184 T HN 0.756 nan 8.240 nan 0.000 0.521 185 D N -0.473 119.904 120.400 -0.037 0.000 2.579 185 D HA 0.532 5.209 4.640 0.061 0.000 0.257 185 D C 1.024 177.310 176.300 -0.024 0.000 1.176 185 D CA -0.552 53.429 54.000 -0.031 0.000 0.914 185 D CB 1.630 42.420 40.800 -0.017 0.000 1.431 185 D HN -0.006 nan 8.370 nan 0.000 0.454 186 A N 0.230 123.043 122.820 -0.012 0.000 1.898 186 A HA -0.199 4.158 4.320 0.061 0.000 0.216 186 A C 2.103 179.682 177.584 -0.009 0.000 1.181 186 A CA 1.609 53.643 52.037 -0.005 0.000 0.620 186 A CB -0.711 18.299 19.000 0.015 0.000 0.819 186 A HN 0.625 nan 8.150 nan 0.000 0.442 187 Q N -1.000 118.797 119.800 -0.005 0.000 2.119 187 Q HA -0.093 4.283 4.340 0.061 0.000 0.201 187 Q C 2.410 178.402 176.000 -0.012 0.000 0.972 187 Q CA 1.462 57.262 55.803 -0.005 0.000 0.847 187 Q CB -0.150 28.587 28.738 -0.001 0.000 0.903 187 Q HN 0.616 nan 8.270 nan 0.000 0.433 188 S N -0.255 115.435 115.700 -0.017 0.000 2.383 188 S HA -0.100 4.407 4.470 0.061 0.000 0.227 188 S C 1.856 176.438 174.600 -0.031 0.000 1.026 188 S CA 0.941 59.127 58.200 -0.023 0.000 0.981 188 S CB -0.099 63.086 63.200 -0.025 0.000 0.818 188 S HN 0.479 nan 8.310 nan 0.000 0.472 189 A N 1.243 124.044 122.820 -0.032 0.000 1.872 189 A HA 0.089 4.445 4.320 0.061 0.000 0.214 189 A C 2.114 179.671 177.584 -0.043 0.000 1.187 189 A CA 1.044 53.056 52.037 -0.042 0.000 0.614 189 A CB -0.760 18.213 19.000 -0.044 0.000 0.826 189 A HN 0.514 nan 8.150 nan 0.000 0.442 190 L N -0.522 120.681 121.223 -0.034 0.000 2.042 190 L HA -0.194 4.182 4.340 0.061 0.000 0.210 190 L C 2.819 179.679 176.870 -0.018 0.000 1.076 190 L CA 1.877 56.700 54.840 -0.027 0.000 0.749 190 L CB -0.857 41.192 42.059 -0.017 0.000 0.893 190 L HN 0.373 nan 8.230 nan 0.000 0.432 191 T N -0.293 114.253 114.554 -0.014 0.000 2.708 191 T HA -0.167 4.220 4.350 0.061 0.000 0.266 191 T C 1.977 176.670 174.700 -0.011 0.000 1.037 191 T CA 1.321 63.417 62.100 -0.005 0.000 1.146 191 T CB -0.245 68.620 68.868 -0.005 0.000 0.865 191 T HN 0.456 nan 8.240 nan 0.000 0.435 192 A N 1.596 124.395 122.820 -0.035 0.000 1.902 192 A HA -0.091 4.265 4.320 0.061 0.000 0.217 192 A C 2.330 179.885 177.584 -0.048 0.000 1.181 192 A CA 1.477 53.477 52.037 -0.061 0.000 0.623 192 A CB -0.555 18.397 19.000 -0.080 0.000 0.818 192 A HN 0.342 nan 8.150 nan 0.000 0.443 193 R N -0.273 120.204 120.500 -0.039 0.000 2.073 193 R HA -0.153 4.224 4.340 0.061 0.000 0.234 193 R C 1.726 178.029 176.300 0.006 0.000 1.134 193 R CA 1.717 57.799 56.100 -0.030 0.000 0.952 193 R CB -0.357 29.914 30.300 -0.048 0.000 0.850 193 R HN 0.530 nan 8.270 nan 0.000 0.433 194 N N 1.118 119.827 118.700 0.015 0.000 2.166 194 N HA -0.153 4.623 4.740 0.061 0.000 0.186 194 N C 1.229 176.795 175.510 0.093 0.000 1.019 194 N CA 1.376 54.451 53.050 0.042 0.000 0.856 194 N CB -0.469 38.037 38.487 0.032 0.000 0.993 194 N HN 0.260 nan 8.380 nan 0.000 0.426 195 D N 0.829 121.293 120.400 0.107 0.000 2.104 195 D HA -0.085 4.591 4.640 0.061 0.000 0.194 195 D C 2.191 178.701 176.300 0.349 0.000 0.994 195 D CA 0.603 54.742 54.000 0.232 0.000 0.830 195 D CB -0.374 40.514 40.800 0.148 0.000 0.959 195 D HN 0.223 nan 8.370 nan 0.000 0.452 196 L N 0.555 121.885 121.223 0.178 0.000 2.056 196 L HA -0.121 4.255 4.340 0.061 0.000 0.207 196 L C 2.514 179.531 176.870 0.245 0.000 1.078 196 L CA 1.036 56.008 54.840 0.220 0.000 0.749 196 L CB -0.367 41.729 42.059 0.062 0.000 0.901 196 L HN -0.025 nan 8.230 nan 0.000 0.433 197 A N 0.244 123.150 122.820 0.145 0.000 1.902 197 A HA -0.147 4.210 4.320 0.061 0.000 0.217 197 A C 2.388 180.041 177.584 0.115 0.000 1.181 197 A CA 1.815 53.914 52.037 0.104 0.000 0.623 197 A CB -1.258 17.776 19.000 0.056 0.000 0.818 197 A HN 0.445 nan 8.150 nan 0.000 0.443 198 G N -1.889 106.995 108.800 0.140 0.000 2.408 198 G HA2 -0.234 3.763 3.960 0.061 0.000 0.217 198 G HA3 -0.234 3.763 3.960 0.061 0.000 0.217 198 G C 1.543 176.512 174.900 0.115 0.000 1.150 198 G CA 1.229 46.394 45.100 0.107 0.000 0.776 198 G HN 0.601 nan 8.290 nan 0.000 0.542 199 Y N 1.192 121.549 120.300 0.095 0.000 2.145 199 Y HA -0.020 4.566 4.550 0.059 0.000 0.286 199 Y C 2.524 178.470 175.900 0.077 0.000 1.145 199 Y CA 1.407 59.552 58.100 0.075 0.000 1.148 199 Y CB -0.297 38.328 38.460 0.275 0.000 0.981 199 Y HN 0.100 nan 8.280 nan 0.000 0.507 200 L N 0.001 121.255 121.223 0.052 0.000 2.083 200 L HA -0.193 4.184 4.340 0.061 0.000 0.209 200 L C 2.210 179.041 176.870 -0.065 0.000 1.083 200 L CA 1.618 56.429 54.840 -0.049 0.000 0.752 200 L CB -0.670 41.437 42.059 0.080 0.000 0.899 200 L HN 0.224 nan 8.230 nan 0.000 0.433 201 D N 0.257 120.642 120.400 -0.024 0.000 2.123 201 D HA -0.162 4.514 4.640 0.061 0.000 0.196 201 D C 2.151 178.418 176.300 -0.055 0.000 0.992 201 D CA 1.518 55.506 54.000 -0.020 0.000 0.833 201 D CB -0.115 40.685 40.800 0.000 0.000 0.954 201 D HN 0.218 nan 8.370 nan 0.000 0.455 202 G N 0.071 108.807 108.800 -0.107 0.000 2.408 202 G HA2 -0.205 3.792 3.960 0.061 0.000 0.217 202 G HA3 -0.205 3.792 3.960 0.061 0.000 0.217 202 G C 1.567 176.364 174.900 -0.172 0.000 1.150 202 G CA 0.754 45.774 45.100 -0.133 0.000 0.776 202 G HN 0.347 nan 8.290 nan 0.000 0.542 203 L N 0.748 121.820 121.223 -0.253 0.000 2.046 203 L HA 0.068 4.445 4.340 0.061 0.000 0.208 203 L C 2.667 179.528 176.870 -0.015 0.000 1.077 203 L CA 1.303 56.008 54.840 -0.225 0.000 0.747 203 L CB -0.346 41.562 42.059 -0.251 0.000 0.896 203 L HN 0.257 nan 8.230 nan 0.000 0.432 204 I N -1.117 119.488 120.570 0.057 0.000 2.163 204 I HA -0.345 3.862 4.170 0.061 0.000 0.243 204 I C 2.235 178.411 176.117 0.098 0.000 1.085 204 I CA 1.842 63.224 61.300 0.138 0.000 1.347 204 I CB -0.752 37.289 38.000 0.069 0.000 1.044 204 I HN 0.264 nan 8.210 nan 0.000 0.408 205 T N -0.157 114.409 114.554 0.020 0.000 2.720 205 T HA -0.290 4.096 4.350 0.061 0.000 0.268 205 T C 1.848 176.543 174.700 -0.009 0.000 1.037 205 T CA 1.557 63.659 62.100 0.004 0.000 1.144 205 T CB -0.300 68.555 68.868 -0.021 0.000 0.864 205 T HN 0.419 nan 8.240 nan 0.000 0.444 206 Q N -0.334 119.426 119.800 -0.066 0.000 2.096 206 Q HA -0.139 4.237 4.340 0.061 0.000 0.204 206 Q C 1.931 177.870 176.000 -0.102 0.000 0.982 206 Q CA 1.550 57.275 55.803 -0.130 0.000 0.850 206 Q CB -0.255 28.334 28.738 -0.247 0.000 0.901 206 Q HN 0.481 nan 8.270 nan 0.000 0.422 207 F N 0.998 120.929 119.950 -0.031 0.000 2.216 207 F HA -0.170 4.393 4.527 0.061 0.000 0.300 207 F C 2.359 178.149 175.800 -0.016 0.000 1.085 207 F CA 1.296 59.284 58.000 -0.020 0.000 1.326 207 F CB -0.200 38.788 39.000 -0.020 0.000 1.027 207 F HN 0.191 nan 8.300 nan 0.000 0.497 208 Q N -0.989 118.904 119.800 0.156 0.000 2.167 208 Q HA -0.125 4.251 4.340 0.061 0.000 0.202 208 Q C 2.069 178.102 176.000 0.055 0.000 0.970 208 Q CA 1.840 57.694 55.803 0.086 0.000 0.855 208 Q CB -0.333 28.437 28.738 0.054 0.000 0.911 208 Q HN 0.328 nan 8.270 nan 0.000 0.438 209 T N 0.065 114.641 114.554 0.038 0.000 2.809 209 T HA -0.061 4.325 4.350 0.061 0.000 0.260 209 T C 0.381 175.096 174.700 0.024 0.000 1.039 209 T CA 0.938 63.048 62.100 0.017 0.000 1.141 209 T CB 0.125 68.989 68.868 -0.006 0.000 0.869 209 T HN 0.006 nan 8.240 nan 0.000 0.437 210 E N 1.751 121.969 120.200 0.029 0.000 2.325 210 E HA 0.314 4.701 4.350 0.061 0.000 0.248 210 E C -2.729 173.933 176.600 0.104 0.000 0.912 210 E CA -2.815 53.606 56.400 0.036 0.000 0.782 210 E CB 1.258 30.954 29.700 -0.006 0.000 1.264 210 E HN 0.060 nan 8.360 nan 0.000 0.417 211 P HA 0.322 nan 4.420 nan 0.000 0.269 211 P C -0.092 177.362 177.300 0.256 0.000 1.217 211 P CA -0.080 63.147 63.100 0.212 0.000 0.783 211 P CB 1.061 32.823 31.700 0.104 0.000 0.898 212 G N -0.916 108.108 108.800 0.372 0.000 2.608 212 G HA2 0.563 4.559 3.960 0.061 0.000 0.291 212 G HA3 0.563 4.559 3.960 0.061 0.000 0.291 212 G C -1.379 173.673 174.900 0.253 0.000 1.425 212 G CA -0.285 45.031 45.100 0.360 0.000 0.787 212 G HN 0.559 nan 8.290 nan 0.000 0.484 213 A N -1.238 121.697 122.820 0.192 0.000 2.346 213 A HA 0.902 5.259 4.320 0.061 0.000 0.252 213 A C 1.041 178.670 177.584 0.076 0.000 1.089 213 A CA 1.075 53.164 52.037 0.088 0.000 0.797 213 A CB 0.137 19.180 19.000 0.071 0.000 1.047 213 A HN 2.796 nan 8.150 nan 0.000 0.494 214 G N -1.465 107.331 108.800 -0.006 0.000 2.629 214 G HA2 0.197 4.193 3.960 0.061 0.000 0.686 214 G HA3 0.197 4.193 3.960 0.061 0.000 0.686 214 G C 0.087 174.918 174.900 -0.115 0.000 1.232 214 G CA 0.016 45.101 45.100 -0.026 0.000 0.803 214 G HN 1.879 nan 8.290 nan 0.000 0.638 215 L N 1.346 122.518 121.223 -0.085 0.000 2.042 215 L HA 0.001 4.377 4.340 0.061 0.000 0.210 215 L C 2.934 179.716 176.870 -0.146 0.000 1.076 215 L CA 2.989 57.776 54.840 -0.088 0.000 0.749 215 L CB -0.666 41.380 42.059 -0.023 0.000 0.893 215 L HN 0.842 nan 8.230 nan 0.000 0.432 216 V N 0.183 119.998 119.914 -0.165 0.000 2.343 216 V HA -0.227 3.930 4.120 0.061 0.000 0.247 216 V C 2.653 178.362 176.094 -0.641 0.000 1.051 216 V CA 1.774 63.925 62.300 -0.248 0.000 1.036 216 V CB -1.721 30.060 31.823 -0.071 0.000 0.654 216 V HN 0.640 nan 8.190 nan 0.000 0.451 217 G N -0.345 107.796 108.800 -1.098 0.000 2.440 217 G HA2 -0.240 3.757 3.960 0.061 0.000 0.218 217 G HA3 -0.240 3.757 3.960 0.061 0.000 0.218 217 G C 1.765 176.344 174.900 -0.534 0.000 1.154 217 G CA 1.148 45.432 45.100 -1.360 0.000 0.767 217 G HN 0.620 nan 8.290 nan 0.000 0.552 218 A N 0.479 123.104 122.820 -0.325 0.000 1.898 218 A HA 0.133 4.489 4.320 0.061 0.000 0.216 218 A C 2.446 179.942 177.584 -0.146 0.000 1.181 218 A CA 1.255 53.186 52.037 -0.177 0.000 0.620 218 A CB -0.393 18.534 19.000 -0.122 0.000 0.819 218 A HN 0.351 nan 8.150 nan 0.000 0.442 219 L N -0.571 120.561 121.223 -0.152 0.000 2.093 219 L HA -0.140 4.236 4.340 0.061 0.000 0.208 219 L C 2.488 179.302 176.870 -0.092 0.000 1.085 219 L CA 0.847 55.630 54.840 -0.095 0.000 0.755 219 L CB -0.511 41.508 42.059 -0.066 0.000 0.904 219 L HN 0.239 nan 8.230 nan 0.000 0.435 220 V N 0.075 119.904 119.914 -0.142 0.000 2.307 220 V HA -0.253 3.903 4.120 0.061 0.000 0.245 220 V C 2.698 178.758 176.094 -0.057 0.000 1.045 220 V CA 1.844 64.091 62.300 -0.087 0.000 1.024 220 V CB -0.758 31.013 31.823 -0.086 0.000 0.651 220 V HN 0.473 nan 8.190 nan 0.000 0.449 221 A N -0.956 121.816 122.820 -0.080 0.000 2.015 221 A HA -0.175 4.182 4.320 0.061 0.000 0.219 221 A C 1.923 179.486 177.584 -0.035 0.000 1.163 221 A CA 1.979 53.990 52.037 -0.044 0.000 0.646 221 A CB -0.278 18.693 19.000 -0.048 0.000 0.806 221 A HN 0.596 nan 8.150 nan 0.000 0.448 222 D N -1.738 118.635 120.400 -0.045 0.000 2.949 222 D HA 0.058 4.734 4.640 0.061 0.000 0.247 222 D C 1.967 178.250 176.300 -0.028 0.000 1.552 222 D CA 0.641 54.620 54.000 -0.035 0.000 1.231 222 D CB -0.299 40.476 40.800 -0.040 0.000 0.990 222 D HN 0.139 nan 8.370 nan 0.000 0.270 223 Q N 0.258 120.039 119.800 -0.031 0.000 2.096 223 Q HA -0.054 4.322 4.340 0.061 0.000 0.204 223 Q C 2.088 178.078 176.000 -0.016 0.000 0.982 223 Q CA 1.031 56.821 55.803 -0.023 0.000 0.850 223 Q CB -0.363 28.361 28.738 -0.022 0.000 0.901 223 Q HN 0.254 nan 8.270 nan 0.000 0.422 224 L N 0.219 121.432 121.223 -0.018 0.000 2.046 224 L HA -0.103 4.273 4.340 0.061 0.000 0.208 224 L C 1.974 178.840 176.870 -0.006 0.000 1.077 224 L CA 2.106 56.941 54.840 -0.009 0.000 0.747 224 L CB -0.930 41.124 42.059 -0.009 0.000 0.896 224 L HN 0.206 nan 8.230 nan 0.000 0.432 225 A N -1.028 121.787 122.820 -0.009 0.000 2.070 225 A HA -0.159 4.197 4.320 0.061 0.000 0.220 225 A C 1.917 179.498 177.584 -0.005 0.000 1.159 225 A CA 1.637 53.670 52.037 -0.005 0.000 0.656 225 A CB -0.665 18.332 19.000 -0.006 0.000 0.800 225 A HN 0.654 nan 8.150 nan 0.000 0.453 226 N N -0.757 117.938 118.700 -0.008 0.000 2.336 226 N HA 0.100 4.877 4.740 0.061 0.000 0.189 226 N C 1.021 176.528 175.510 -0.005 0.000 1.113 226 N CA 0.771 53.817 53.050 -0.007 0.000 0.858 226 N CB 0.312 38.793 38.487 -0.011 0.000 0.970 226 N HN 0.562 nan 8.380 nan 0.000 0.471 227 G N 1.836 110.634 108.800 -0.004 0.000 2.225 227 G HA2 -0.297 3.699 3.960 0.061 0.000 0.267 227 G HA3 -0.297 3.699 3.960 0.061 0.000 0.267 227 G C 0.602 175.501 174.900 -0.002 0.000 1.024 227 G CA 0.481 45.581 45.100 -0.001 0.000 0.784 227 G HN 0.456 nan 8.290 nan 0.000 0.507 228 E N -1.170 119.027 120.200 -0.004 0.000 2.474 228 E HA 0.392 4.778 4.350 0.061 0.000 0.194 228 E C 0.931 177.530 176.600 -0.002 0.000 1.041 228 E CA 0.249 56.645 56.400 -0.006 0.000 0.874 228 E CB 0.765 30.458 29.700 -0.012 0.000 0.914 228 E HN 0.669 nan 8.360 nan 0.000 0.498 229 I N 0.789 121.360 120.570 0.001 0.000 2.722 229 I HA 0.173 4.379 4.170 0.061 0.000 0.295 229 I C -1.472 174.650 176.117 0.009 0.000 1.161 229 I CA -0.987 60.318 61.300 0.009 0.000 1.032 229 I CB 1.967 39.974 38.000 0.012 0.000 1.244 229 I HN -0.254 nan 8.210 nan 0.000 0.421 230 D N 5.396 125.804 120.400 0.013 0.000 2.372 230 D HA 0.155 4.832 4.640 0.061 0.000 0.243 230 D C 0.894 177.201 176.300 0.012 0.000 1.121 230 D CA -0.074 53.933 54.000 0.011 0.000 0.898 230 D CB 1.389 42.197 40.800 0.012 0.000 1.202 230 D HN 0.476 nan 8.370 nan 0.000 0.428 231 R N 1.226 121.732 120.500 0.010 0.000 2.096 231 R HA -0.180 4.196 4.340 0.061 0.000 0.240 231 R C 1.359 177.667 176.300 0.012 0.000 1.139 231 R CA 1.373 57.480 56.100 0.011 0.000 0.952 231 R CB 0.178 30.484 30.300 0.010 0.000 0.854 231 R HN 0.417 nan 8.270 nan 0.000 0.436 232 E N 0.344 120.551 120.200 0.010 0.000 2.150 232 E HA -0.181 4.205 4.350 0.061 0.000 0.193 232 E C 1.844 178.448 176.600 0.008 0.000 0.985 232 E CA 1.096 57.501 56.400 0.008 0.000 0.814 232 E CB -0.003 29.700 29.700 0.005 0.000 0.752 232 E HN 0.527 nan 8.360 nan 0.000 0.466 233 E N 0.498 120.705 120.200 0.012 0.000 2.077 233 E HA -0.167 4.219 4.350 0.061 0.000 0.193 233 E C 2.080 178.695 176.600 0.024 0.000 0.989 233 E CA 0.466 56.877 56.400 0.019 0.000 0.800 233 E CB -0.099 29.618 29.700 0.029 0.000 0.746 233 E HN 0.058 nan 8.360 nan 0.000 0.452 234 L N 1.607 122.844 121.223 0.024 0.000 2.012 234 L HA -0.179 4.197 4.340 0.061 0.000 0.210 234 L C 2.009 178.893 176.870 0.023 0.000 1.073 234 L CA 1.533 56.388 54.840 0.025 0.000 0.748 234 L CB -0.743 41.325 42.059 0.016 0.000 0.891 234 L HN 0.135 nan 8.230 nan 0.000 0.431 235 I N -0.775 119.807 120.570 0.020 0.000 2.151 235 I HA -0.357 3.850 4.170 0.061 0.000 0.243 235 I C 2.406 178.530 176.117 0.010 0.000 1.080 235 I CA 1.655 62.968 61.300 0.022 0.000 1.339 235 I CB -0.505 37.508 38.000 0.022 0.000 1.039 235 I HN 0.235 nan 8.210 nan 0.000 0.409 236 S N -0.084 115.613 115.700 -0.005 0.000 2.383 236 S HA -0.153 4.353 4.470 0.061 0.000 0.227 236 S C 2.022 176.591 174.600 -0.051 0.000 1.026 236 S CA 1.811 59.991 58.200 -0.033 0.000 0.981 236 S CB -0.313 62.861 63.200 -0.043 0.000 0.818 236 S HN 0.480 nan 8.310 nan 0.000 0.472 237 T N 2.365 116.905 114.554 -0.024 0.000 2.737 237 T HA -0.016 4.370 4.350 0.061 0.000 0.265 237 T C 2.182 176.882 174.700 -0.001 0.000 1.038 237 T CA 1.227 63.313 62.100 -0.023 0.000 1.144 237 T CB -0.508 68.406 68.868 0.076 0.000 0.866 237 T HN 0.455 nan 8.240 nan 0.000 0.434 238 A N 1.288 124.123 122.820 0.026 0.000 1.933 238 A HA -0.040 4.316 4.320 0.061 0.000 0.218 238 A C 2.318 179.915 177.584 0.022 0.000 1.175 238 A CA 1.651 53.712 52.037 0.040 0.000 0.628 238 A CB -0.713 18.316 19.000 0.047 0.000 0.814 238 A HN 0.485 nan 8.150 nan 0.000 0.444 239 M N -0.982 118.620 119.600 0.002 0.000 2.117 239 M HA -0.120 4.396 4.480 0.061 0.000 0.262 239 M C 2.092 178.370 176.300 -0.037 0.000 1.065 239 M CA 1.873 57.164 55.300 -0.015 0.000 1.114 239 M CB -0.203 32.385 32.600 -0.021 0.000 1.361 239 M HN 0.446 nan 8.290 nan 0.000 0.408 240 L N 0.825 122.009 121.223 -0.066 0.000 2.012 240 L HA -0.205 4.171 4.340 0.061 0.000 0.210 240 L C 1.874 178.718 176.870 -0.043 0.000 1.073 240 L CA 1.883 56.665 54.840 -0.096 0.000 0.748 240 L CB -0.910 41.024 42.059 -0.208 0.000 0.891 240 L HN 0.270 nan 8.230 nan 0.000 0.431 241 L N -1.098 120.122 121.223 -0.005 0.000 2.093 241 L HA -0.125 4.251 4.340 0.061 0.000 0.208 241 L C 2.355 179.290 176.870 0.109 0.000 1.085 241 L CA 1.394 56.281 54.840 0.077 0.000 0.755 241 L CB -1.328 40.824 42.059 0.155 0.000 0.904 241 L HN 0.341 nan 8.230 nan 0.000 0.435 242 L N -0.605 120.663 121.223 0.076 0.000 1.994 242 L HA -0.159 4.217 4.340 0.061 0.000 0.208 242 L C 2.334 179.284 176.870 0.132 0.000 1.071 242 L CA 1.755 56.656 54.840 0.100 0.000 0.745 242 L CB -0.383 41.661 42.059 -0.025 0.000 0.892 242 L HN 0.152 nan 8.230 nan 0.000 0.431 243 I N -0.601 119.978 120.570 0.015 0.000 2.202 243 I HA -0.260 3.946 4.170 0.061 0.000 0.242 243 I C 2.592 178.755 176.117 0.078 0.000 1.091 243 I CA 1.155 62.453 61.300 -0.003 0.000 1.368 243 I CB -0.714 37.261 38.000 -0.042 0.000 1.058 243 I HN 0.334 nan 8.210 nan 0.000 0.410 244 A N 1.061 123.921 122.820 0.067 0.000 1.908 244 A HA -0.150 4.207 4.320 0.061 0.000 0.218 244 A C 2.447 180.103 177.584 0.120 0.000 1.181 244 A CA 1.980 54.066 52.037 0.081 0.000 0.627 244 A CB -1.523 17.509 19.000 0.053 0.000 0.818 244 A HN 0.473 nan 8.150 nan 0.000 0.445 245 G N -1.464 107.427 108.800 0.152 0.000 2.442 245 G HA2 -0.240 3.756 3.960 0.061 0.000 0.219 245 G HA3 -0.240 3.756 3.960 0.061 0.000 0.219 245 G C 1.421 176.393 174.900 0.121 0.000 1.141 245 G CA 1.459 46.651 45.100 0.153 0.000 0.763 245 G HN 0.678 nan 8.290 nan 0.000 0.554 246 H N -0.067 119.033 119.070 0.050 0.000 2.294 246 H HA 0.133 4.725 4.556 0.060 0.000 0.306 246 H C 2.602 177.942 175.328 0.021 0.000 1.065 246 H CA 1.358 57.431 56.048 0.041 0.000 1.343 246 H CB 0.208 30.005 29.762 0.058 0.000 1.396 246 H HN 0.185 nan 8.280 nan 0.000 0.506 247 E N -0.240 120.065 120.200 0.175 0.000 2.170 247 E HA -0.073 4.314 4.350 0.061 0.000 0.191 247 E C 2.294 178.935 176.600 0.067 0.000 0.981 247 E CA 1.344 57.804 56.400 0.100 0.000 0.830 247 E CB -0.304 29.439 29.700 0.072 0.000 0.775 247 E HN 0.632 nan 8.360 nan 0.000 0.470 248 T N -1.012 113.589 114.554 0.077 0.000 2.732 248 T HA -0.126 4.260 4.350 0.061 0.000 0.261 248 T C 2.212 176.945 174.700 0.056 0.000 1.040 248 T CA 1.951 64.095 62.100 0.073 0.000 1.145 248 T CB -0.764 68.168 68.868 0.107 0.000 0.866 248 T HN 0.082 nan 8.240 nan 0.000 0.427 249 T N 1.167 115.752 114.554 0.052 0.000 2.867 249 T HA 0.121 4.508 4.350 0.061 0.000 0.268 249 T C 2.242 176.932 174.700 -0.018 0.000 1.057 249 T CA 1.501 63.614 62.100 0.021 0.000 1.136 249 T CB -0.954 67.919 68.868 0.009 0.000 0.874 249 T HN 0.539 nan 8.240 nan 0.000 0.466 250 A N 0.800 123.607 122.820 -0.022 0.000 1.892 250 A HA -0.085 4.272 4.320 0.061 0.000 0.218 250 A C 2.721 180.300 177.584 -0.009 0.000 1.188 250 A CA 2.493 54.508 52.037 -0.035 0.000 0.631 250 A CB -1.151 17.840 19.000 -0.014 0.000 0.822 250 A HN 0.576 nan 8.150 nan 0.000 0.447 251 S N -0.818 114.886 115.700 0.008 0.000 2.383 251 S HA -0.094 4.413 4.470 0.061 0.000 0.227 251 S C 2.006 176.610 174.600 0.008 0.000 1.026 251 S CA 1.475 59.681 58.200 0.010 0.000 0.981 251 S CB -0.280 62.928 63.200 0.013 0.000 0.818 251 S HN 0.449 nan 8.310 nan 0.000 0.472 252 M N 1.392 120.996 119.600 0.007 0.000 2.159 252 M HA -0.053 4.463 4.480 0.061 0.000 0.263 252 M C 2.184 178.487 176.300 0.005 0.000 1.063 252 M CA 1.385 56.686 55.300 0.002 0.000 1.110 252 M CB -1.984 30.621 32.600 0.008 0.000 1.374 252 M HN 0.262 nan 8.290 nan 0.000 0.411 253 T N 0.316 114.873 114.554 0.005 0.000 2.668 253 T HA -0.089 4.297 4.350 0.061 0.000 0.262 253 T C 2.123 176.847 174.700 0.041 0.000 1.045 253 T CA 1.877 63.991 62.100 0.023 0.000 1.152 253 T CB -0.190 68.679 68.868 0.000 0.000 0.864 253 T HN 0.337 nan 8.240 nan 0.000 0.419 254 S N 1.311 117.034 115.700 0.038 0.000 2.353 254 S HA 0.000 4.506 4.470 0.061 0.000 0.222 254 S C 2.081 176.703 174.600 0.037 0.000 1.035 254 S CA 1.042 59.270 58.200 0.046 0.000 1.025 254 S CB -0.534 62.690 63.200 0.039 0.000 0.902 254 S HN 0.337 nan 8.310 nan 0.000 0.440 255 L N 0.926 122.167 121.223 0.030 0.000 2.093 255 L HA -0.065 4.311 4.340 0.061 0.000 0.208 255 L C 2.519 179.410 176.870 0.036 0.000 1.085 255 L CA 0.861 55.727 54.840 0.043 0.000 0.755 255 L CB -0.647 41.434 42.059 0.036 0.000 0.904 255 L HN 0.259 nan 8.230 nan 0.000 0.435 256 S N -0.339 115.362 115.700 0.002 0.000 2.368 256 S HA -0.133 4.373 4.470 0.061 0.000 0.224 256 S C 2.080 176.622 174.600 -0.097 0.000 1.029 256 S CA 1.044 59.217 58.200 -0.045 0.000 0.988 256 S CB -0.161 63.011 63.200 -0.046 0.000 0.838 256 S HN 0.144 nan 8.310 nan 0.000 0.462 257 V N 2.199 122.074 119.914 -0.064 0.000 2.295 257 V HA -0.189 3.967 4.120 0.061 0.000 0.246 257 V C 2.058 178.101 176.094 -0.085 0.000 1.049 257 V CA 1.640 63.878 62.300 -0.103 0.000 1.024 257 V CB -0.656 31.158 31.823 -0.015 0.000 0.648 257 V HN 0.444 nan 8.190 nan 0.000 0.447 258 I N -0.108 120.462 120.570 0.001 0.000 2.163 258 I HA -0.269 3.937 4.170 0.061 0.000 0.243 258 I C 2.538 178.705 176.117 0.083 0.000 1.085 258 I CA 2.075 63.413 61.300 0.063 0.000 1.347 258 I CB -0.771 37.295 38.000 0.110 0.000 1.044 258 I HN 0.318 nan 8.210 nan 0.000 0.408 259 T N 1.220 115.810 114.554 0.060 0.000 2.746 259 T HA -0.116 4.270 4.350 0.061 0.000 0.267 259 T C 1.950 176.595 174.700 -0.091 0.000 1.039 259 T CA 1.267 63.338 62.100 -0.049 0.000 1.142 259 T CB -0.331 68.479 68.868 -0.096 0.000 0.866 259 T HN 0.225 nan 8.240 nan 0.000 0.444 260 L N 0.290 121.387 121.223 -0.210 0.000 2.093 260 L HA 0.014 4.391 4.340 0.061 0.000 0.208 260 L C 2.406 179.143 176.870 -0.223 0.000 1.085 260 L CA 0.951 55.584 54.840 -0.345 0.000 0.755 260 L CB -0.502 41.059 42.059 -0.831 0.000 0.904 260 L HN 0.241 nan 8.230 nan 0.000 0.435 261 L N -0.655 120.465 121.223 -0.173 0.000 2.141 261 L HA -0.195 4.181 4.340 0.061 0.000 0.209 261 L C 1.670 178.561 176.870 0.035 0.000 1.094 261 L CA 0.840 55.676 54.840 -0.006 0.000 0.763 261 L CB -0.411 41.660 42.059 0.020 0.000 0.908 261 L HN 0.213 nan 8.230 nan 0.000 0.437 262 D N -1.419 119.000 120.400 0.031 0.000 2.363 262 D HA -0.053 4.624 4.640 0.061 0.000 0.220 262 D C 0.147 176.294 176.300 -0.255 0.000 0.994 262 D CA 0.830 54.808 54.000 -0.037 0.000 0.890 262 D CB 0.037 40.866 40.800 0.048 0.000 0.906 262 D HN 0.336 nan 8.370 nan 0.000 0.530 263 H N -1.214 117.805 119.070 -0.084 0.000 2.336 263 H HA 0.192 4.784 4.556 0.061 0.000 0.230 263 H C -1.635 173.700 175.328 0.011 0.000 1.426 263 H CA -1.419 54.590 56.048 -0.066 0.000 1.359 263 H CB 1.105 30.779 29.762 -0.145 0.000 1.555 263 H HN -0.019 nan 8.280 nan 0.000 0.512 264 P HA -0.207 nan 4.420 nan 0.000 0.220 264 P C 1.456 178.832 177.300 0.126 0.000 1.148 264 P CA 1.115 64.300 63.100 0.140 0.000 0.803 264 P CB 0.798 32.551 31.700 0.089 0.000 0.782 265 E N 0.278 120.534 120.200 0.095 0.000 2.072 265 E HA -0.194 4.192 4.350 0.061 0.000 0.191 265 E C 2.236 178.896 176.600 0.101 0.000 0.985 265 E CA 1.018 57.465 56.400 0.080 0.000 0.801 265 E CB -0.202 29.536 29.700 0.063 0.000 0.750 265 E HN 0.267 nan 8.360 nan 0.000 0.452 266 Q N -0.793 119.079 119.800 0.119 0.000 2.119 266 Q HA -0.181 4.196 4.340 0.061 0.000 0.201 266 Q C 1.999 178.082 176.000 0.138 0.000 0.972 266 Q CA 1.129 56.993 55.803 0.103 0.000 0.847 266 Q CB -0.222 28.539 28.738 0.039 0.000 0.903 266 Q HN 0.367 nan 8.270 nan 0.000 0.433 267 Y N 1.197 121.499 120.300 0.002 0.000 2.181 267 Y HA -0.171 4.415 4.550 0.061 0.000 0.288 267 Y C 2.229 178.131 175.900 0.002 0.000 1.146 267 Y CA 0.928 59.024 58.100 -0.005 0.000 1.164 267 Y CB -0.613 37.851 38.460 0.007 0.000 0.982 267 Y HN 0.076 nan 8.280 nan 0.000 0.515 268 A N 0.041 122.874 122.820 0.022 0.000 1.902 268 A HA -0.076 4.281 4.320 0.061 0.000 0.217 268 A C 2.500 180.064 177.584 -0.033 0.000 1.181 268 A CA 1.915 53.913 52.037 -0.064 0.000 0.623 268 A CB -1.353 17.638 19.000 -0.015 0.000 0.818 268 A HN 0.490 nan 8.150 nan 0.000 0.443 269 A N -0.623 122.215 122.820 0.030 0.000 1.933 269 A HA -0.038 4.318 4.320 0.061 0.000 0.218 269 A C 2.110 179.709 177.584 0.025 0.000 1.175 269 A CA 1.723 53.794 52.037 0.056 0.000 0.628 269 A CB -0.581 18.505 19.000 0.144 0.000 0.814 269 A HN 0.570 nan 8.150 nan 0.000 0.444 270 L N -0.182 121.047 121.223 0.009 0.000 2.017 270 L HA -0.116 4.260 4.340 0.061 0.000 0.208 270 L C 2.471 179.323 176.870 -0.031 0.000 1.073 270 L CA 2.395 57.233 54.840 -0.003 0.000 0.745 270 L CB -0.652 41.449 42.059 0.071 0.000 0.894 270 L HN 0.480 nan 8.230 nan 0.000 0.432 271 R N -0.809 119.633 120.500 -0.097 0.000 2.096 271 R HA -0.140 4.237 4.340 0.061 0.000 0.235 271 R C 2.059 178.321 176.300 -0.064 0.000 1.127 271 R CA 1.382 57.409 56.100 -0.122 0.000 0.968 271 R CB -0.324 29.840 30.300 -0.226 0.000 0.861 271 R HN 0.480 nan 8.270 nan 0.000 0.440 272 A N -0.411 122.383 122.820 -0.044 0.000 2.066 272 A HA -0.064 4.292 4.320 0.061 0.000 0.218 272 A C 0.290 177.872 177.584 -0.004 0.000 1.157 272 A CA 1.046 53.071 52.037 -0.020 0.000 0.670 272 A CB 0.168 19.162 19.000 -0.009 0.000 0.804 272 A HN 0.362 nan 8.150 nan 0.000 0.453 273 D N -1.274 119.127 120.400 0.002 0.000 2.330 273 D HA 0.270 4.946 4.640 0.061 0.000 0.249 273 D C 0.662 176.966 176.300 0.006 0.000 1.306 273 D CA -0.488 53.520 54.000 0.013 0.000 0.956 273 D CB 0.455 41.276 40.800 0.034 0.000 1.261 273 D HN -0.068 nan 8.370 nan 0.000 0.544 274 R N 0.938 121.441 120.500 0.005 0.000 2.235 274 R HA -0.041 4.335 4.340 0.061 0.000 0.213 274 R C 1.810 178.116 176.300 0.010 0.000 1.059 274 R CA 0.697 56.801 56.100 0.007 0.000 0.997 274 R CB -0.785 29.522 30.300 0.011 0.000 0.884 274 R HN 0.467 nan 8.270 nan 0.000 0.462 275 S N 0.489 116.196 115.700 0.012 0.000 2.469 275 S HA -0.045 4.462 4.470 0.061 0.000 0.238 275 S C 1.893 176.498 174.600 0.008 0.000 0.998 275 S CA 0.646 58.855 58.200 0.014 0.000 0.957 275 S CB -0.368 62.843 63.200 0.019 0.000 0.764 275 S HN 0.274 nan 8.310 nan 0.000 0.514 276 L N 0.786 122.006 121.223 -0.005 0.000 2.395 276 L HA 0.067 4.443 4.340 0.061 0.000 0.218 276 L C 2.390 179.237 176.870 -0.039 0.000 1.130 276 L CA 0.167 54.984 54.840 -0.039 0.000 0.826 276 L CB -0.504 41.504 42.059 -0.085 0.000 0.941 276 L HN 0.223 nan 8.230 nan 0.000 0.451 277 V N 0.684 120.591 119.914 -0.011 0.000 2.255 277 V HA -0.179 3.977 4.120 0.061 0.000 0.247 277 V C -0.020 176.076 176.094 0.004 0.000 1.051 277 V CA 2.047 64.347 62.300 0.001 0.000 1.018 277 V CB -1.520 30.316 31.823 0.021 0.000 0.641 277 V HN 0.348 nan 8.190 nan 0.000 0.445 278 P HA -0.139 nan 4.420 nan 0.000 0.215 278 P C 1.718 179.030 177.300 0.020 0.000 1.157 278 P CA 1.969 65.085 63.100 0.026 0.000 0.874 278 P CB -0.360 31.359 31.700 0.030 0.000 0.790 279 G N -0.167 108.633 108.800 0.000 0.000 2.422 279 G HA2 -0.230 3.767 3.960 0.061 0.000 0.218 279 G HA3 -0.230 3.767 3.960 0.061 0.000 0.218 279 G C 1.648 176.520 174.900 -0.047 0.000 1.146 279 G CA 0.897 45.989 45.100 -0.013 0.000 0.769 279 G HN 0.327 nan 8.290 nan 0.000 0.547 280 A N 0.148 122.926 122.820 -0.070 0.000 1.933 280 A HA 0.099 4.456 4.320 0.061 0.000 0.218 280 A C 2.584 180.122 177.584 -0.076 0.000 1.175 280 A CA 1.682 53.659 52.037 -0.099 0.000 0.628 280 A CB -0.560 18.383 19.000 -0.095 0.000 0.814 280 A HN 0.241 nan 8.150 nan 0.000 0.444 281 V N 0.335 120.230 119.914 -0.031 0.000 2.343 281 V HA -0.221 3.935 4.120 0.061 0.000 0.247 281 V C 2.593 178.673 176.094 -0.023 0.000 1.051 281 V CA 2.166 64.459 62.300 -0.010 0.000 1.036 281 V CB -0.670 31.175 31.823 0.036 0.000 0.654 281 V HN 0.512 nan 8.190 nan 0.000 0.451 282 E N -0.042 120.161 120.200 0.005 0.000 2.077 282 E HA -0.244 4.143 4.350 0.061 0.000 0.193 282 E C 2.191 178.699 176.600 -0.154 0.000 0.989 282 E CA 1.529 57.936 56.400 0.011 0.000 0.800 282 E CB -0.270 29.499 29.700 0.115 0.000 0.746 282 E HN 0.708 nan 8.360 nan 0.000 0.452 283 E N 0.969 121.088 120.200 -0.136 0.000 2.077 283 E HA -0.118 4.268 4.350 0.061 0.000 0.193 283 E C 2.177 178.657 176.600 -0.202 0.000 0.989 283 E CA 0.808 57.090 56.400 -0.196 0.000 0.800 283 E CB -0.349 29.231 29.700 -0.199 0.000 0.746 283 E HN 0.185 nan 8.360 nan 0.000 0.452 284 L N -0.101 121.022 121.223 -0.165 0.000 2.083 284 L HA -0.166 4.210 4.340 0.061 0.000 0.209 284 L C 2.514 179.299 176.870 -0.142 0.000 1.083 284 L CA 0.925 55.695 54.840 -0.116 0.000 0.752 284 L CB -0.392 41.609 42.059 -0.096 0.000 0.899 284 L HN 0.213 nan 8.230 nan 0.000 0.433 285 L N -0.707 120.367 121.223 -0.248 0.000 2.017 285 L HA -0.227 4.150 4.340 0.061 0.000 0.208 285 L C 2.856 179.431 176.870 -0.492 0.000 1.073 285 L CA 1.291 55.893 54.840 -0.397 0.000 0.745 285 L CB -0.522 41.224 42.059 -0.521 0.000 0.894 285 L HN 0.228 nan 8.230 nan 0.000 0.432 286 R N -0.853 119.271 120.500 -0.627 0.000 2.080 286 R HA -0.263 4.113 4.340 0.061 0.000 0.236 286 R C 2.474 178.673 176.300 -0.169 0.000 1.137 286 R CA 2.099 57.930 56.100 -0.447 0.000 0.943 286 R CB -0.489 29.542 30.300 -0.448 0.000 0.846 286 R HN 0.251 nan 8.270 nan 0.000 0.431 287 Y N 0.654 120.800 120.300 -0.257 0.000 2.263 287 Y HA -0.037 4.549 4.550 0.061 0.000 0.292 287 Y C 1.879 177.728 175.900 -0.085 0.000 1.130 287 Y CA 1.365 59.373 58.100 -0.153 0.000 1.179 287 Y CB 0.080 38.442 38.460 -0.163 0.000 0.998 287 Y HN 0.050 nan 8.280 nan 0.000 0.532 288 L N -0.574 120.630 121.223 -0.031 0.000 2.354 288 L HA 0.225 4.601 4.340 0.061 0.000 0.212 288 L C 1.319 178.143 176.870 -0.077 0.000 1.091 288 L CA 0.398 55.202 54.840 -0.060 0.000 0.828 288 L CB -0.714 41.335 42.059 -0.017 0.000 0.973 288 L HN 0.107 nan 8.230 nan 0.000 0.461 289 A N 1.544 124.305 122.820 -0.099 0.000 1.949 289 A HA -0.215 4.141 4.320 0.061 0.000 0.255 289 A C 1.261 178.825 177.584 -0.033 0.000 1.286 289 A CA 1.014 53.007 52.037 -0.073 0.000 0.755 289 A CB -1.727 17.253 19.000 -0.033 0.000 1.161 289 A HN 0.648 nan 8.150 nan 0.000 0.308 290 I N -2.101 118.443 120.570 -0.042 0.000 3.111 290 I HA 0.348 4.554 4.170 0.061 0.000 0.272 290 I C 1.224 177.351 176.117 0.017 0.000 1.268 290 I CA 1.199 62.491 61.300 -0.012 0.000 1.467 290 I CB 0.211 38.203 38.000 -0.012 0.000 1.087 290 I HN 0.736 nan 8.210 nan 0.000 0.467 291 A N 0.813 123.650 122.820 0.028 0.000 3.154 291 A HA 0.284 4.641 4.320 0.061 0.000 0.310 291 A C 0.622 178.255 177.584 0.083 0.000 1.093 291 A CA -0.455 51.619 52.037 0.061 0.000 1.006 291 A CB -0.402 18.643 19.000 0.076 0.000 1.084 291 A HN 0.211 nan 8.150 nan 0.000 0.549 292 D N 0.344 120.798 120.400 0.090 0.000 2.218 292 D HA -0.146 4.530 4.640 0.061 0.000 0.204 292 D C 1.657 178.028 176.300 0.119 0.000 0.976 292 D CA 0.578 54.650 54.000 0.120 0.000 0.853 292 D CB 0.093 40.995 40.800 0.170 0.000 0.939 292 D HN 0.559 nan 8.370 nan 0.000 0.481 293 I N 0.782 121.412 120.570 0.101 0.000 2.657 293 I HA -0.183 4.023 4.170 0.061 0.000 0.261 293 I C 0.523 176.727 176.117 0.144 0.000 1.212 293 I CA 0.814 62.176 61.300 0.103 0.000 1.453 293 I CB -0.130 37.936 38.000 0.110 0.000 1.092 293 I HN -0.197 nan 8.210 nan 0.000 0.452 294 A N 0.019 122.922 122.820 0.137 0.000 3.257 294 A HA 0.595 4.951 4.320 0.061 0.000 0.308 294 A C 0.880 178.536 177.584 0.119 0.000 1.175 294 A CA 0.125 52.251 52.037 0.148 0.000 1.018 294 A CB -0.516 18.565 19.000 0.136 0.000 1.088 294 A HN 0.412 nan 8.150 nan 0.000 0.567 295 G N -0.493 108.366 108.800 0.100 0.000 3.443 295 G HA2 0.406 4.403 3.960 0.061 0.000 0.252 295 G HA3 0.406 4.403 3.960 0.061 0.000 0.252 295 G C 0.638 175.544 174.900 0.009 0.000 1.015 295 G CA 0.496 45.632 45.100 0.059 0.000 0.891 295 G HN 0.840 nan 8.290 nan 0.000 0.510 296 G N 0.620 109.431 108.800 0.019 0.000 2.442 296 G HA2 0.520 4.516 3.960 0.061 0.000 0.249 296 G HA3 0.520 4.516 3.960 0.061 0.000 0.249 296 G C -0.315 174.469 174.900 -0.193 0.000 1.263 296 G CA -0.173 44.807 45.100 -0.200 0.000 0.846 296 G HN 0.154 nan 8.290 nan 0.000 0.555 297 R N 0.082 120.345 120.500 -0.395 0.000 2.764 297 R HA 0.595 4.972 4.340 0.061 0.000 0.270 297 R C -1.610 174.546 176.300 -0.239 0.000 1.014 297 R CA -0.893 55.108 56.100 -0.164 0.000 0.904 297 R CB 1.838 32.111 30.300 -0.045 0.000 1.236 297 R HN 0.496 nan 8.270 nan 0.000 0.466 298 V N 0.690 120.593 119.914 -0.018 0.000 2.531 298 V HA 0.689 4.845 4.120 0.061 0.000 0.301 298 V C -0.552 175.567 176.094 0.042 0.000 1.034 298 V CA -0.652 61.655 62.300 0.011 0.000 0.865 298 V CB 1.675 33.563 31.823 0.108 0.000 0.995 298 V HN 0.900 nan 8.190 nan 0.000 0.424 299 A N 4.014 126.852 122.820 0.029 0.000 2.492 299 A HA 0.482 4.838 4.320 0.061 0.000 0.254 299 A C 1.149 178.757 177.584 0.041 0.000 1.091 299 A CA 0.496 52.551 52.037 0.031 0.000 0.768 299 A CB 0.411 19.428 19.000 0.027 0.000 1.028 299 A HN 1.411 nan 8.150 nan 0.000 0.498 300 T N -0.759 113.818 114.554 0.039 0.000 3.040 300 T HA 0.554 4.940 4.350 0.061 0.000 0.250 300 T C 0.441 175.158 174.700 0.029 0.000 1.058 300 T CA 0.624 62.748 62.100 0.040 0.000 0.988 300 T CB -0.100 68.795 68.868 0.045 0.000 0.993 300 T HN 1.613 nan 8.240 nan 0.000 0.519 301 A N 0.613 123.445 122.820 0.021 0.000 2.609 301 A HA 0.617 4.973 4.320 0.061 0.000 0.291 301 A C -1.633 175.954 177.584 0.005 0.000 1.096 301 A CA -0.924 51.121 52.037 0.013 0.000 0.684 301 A CB 0.901 19.907 19.000 0.009 0.000 1.282 301 A HN 0.157 nan 8.150 nan 0.000 0.412 302 D N 0.425 120.826 120.400 0.001 0.000 2.443 302 D HA 0.438 5.115 4.640 0.061 0.000 0.239 302 D C -0.440 175.844 176.300 -0.028 0.000 1.136 302 D CA 1.114 55.108 54.000 -0.009 0.000 0.879 302 D CB 0.438 41.233 40.800 -0.008 0.000 1.195 302 D HN 0.382 nan 8.370 nan 0.000 0.443 303 I N 1.419 121.958 120.570 -0.053 0.000 2.478 303 I HA 0.168 4.375 4.170 0.061 0.000 0.287 303 I C 0.116 176.165 176.117 -0.114 0.000 1.042 303 I CA -0.700 60.553 61.300 -0.078 0.000 1.067 303 I CB 2.000 39.946 38.000 -0.089 0.000 1.233 303 I HN 0.140 nan 8.210 nan 0.000 0.431 304 E N 5.527 125.668 120.200 -0.099 0.000 2.227 304 E HA 0.521 4.907 4.350 0.061 0.000 0.282 304 E C -1.362 175.158 176.600 -0.134 0.000 1.015 304 E CA -0.545 55.785 56.400 -0.118 0.000 0.823 304 E CB 1.572 31.223 29.700 -0.083 0.000 1.081 304 E HN 0.367 nan 8.360 nan 0.000 0.396 305 V N 5.130 124.937 119.914 -0.178 0.000 2.340 305 V HA 0.127 4.283 4.120 0.061 0.000 0.277 305 V C -0.396 175.603 176.094 -0.159 0.000 1.017 305 V CA -0.627 61.566 62.300 -0.177 0.000 0.820 305 V CB 0.915 32.595 31.823 -0.239 0.000 1.028 305 V HN 0.951 nan 8.190 nan 0.000 0.436 306 E N 3.480 123.613 120.200 -0.113 0.000 2.269 306 E HA -0.303 4.084 4.350 0.061 0.000 0.223 306 E C 1.338 177.884 176.600 -0.090 0.000 1.244 306 E CA 0.680 57.026 56.400 -0.090 0.000 0.713 306 E CB -1.206 28.444 29.700 -0.084 0.000 1.178 306 E HN 1.452 nan 8.360 nan 0.000 0.370 307 G N -0.391 108.355 108.800 -0.089 0.000 2.268 307 G HA2 -0.352 3.644 3.960 0.061 0.000 0.240 307 G HA3 -0.352 3.644 3.960 0.061 0.000 0.240 307 G C 0.175 175.017 174.900 -0.097 0.000 1.010 307 G CA 0.409 45.462 45.100 -0.077 0.000 0.618 307 G HN 0.344 nan 8.290 nan 0.000 0.516 308 Q N -0.101 119.605 119.800 -0.157 0.000 2.235 308 Q HA 0.692 5.069 4.340 0.061 0.000 0.250 308 Q C -0.671 175.169 176.000 -0.267 0.000 0.909 308 Q CA -0.647 55.017 55.803 -0.231 0.000 0.910 308 Q CB 2.353 30.859 28.738 -0.387 0.000 1.223 308 Q HN 0.309 nan 8.270 nan 0.000 0.432 309 L N 3.271 124.368 121.223 -0.210 0.000 2.287 309 L HA 0.443 4.819 4.340 0.061 0.000 0.287 309 L C -1.176 175.585 176.870 -0.182 0.000 1.022 309 L CA -0.211 54.535 54.840 -0.157 0.000 0.814 309 L CB 1.082 43.117 42.059 -0.041 0.000 1.217 309 L HN 0.559 nan 8.230 nan 0.000 0.420 310 I N 5.405 125.825 120.570 -0.250 0.000 2.325 310 I HA 0.342 4.549 4.170 0.061 0.000 0.291 310 I C 0.207 176.333 176.117 0.016 0.000 1.019 310 I CA -0.400 60.819 61.300 -0.136 0.000 1.302 310 I CB 0.634 38.489 38.000 -0.241 0.000 1.401 310 I HN 0.553 nan 8.210 nan 0.000 0.485 311 R N 4.665 125.237 120.500 0.120 0.000 2.457 311 R HA 0.603 4.979 4.340 0.061 0.000 0.284 311 R C -0.024 176.312 176.300 0.061 0.000 1.024 311 R CA -0.789 55.356 56.100 0.075 0.000 1.025 311 R CB 1.120 31.471 30.300 0.085 0.000 1.063 311 R HN 0.732 nan 8.270 nan 0.000 0.493 312 A N 1.427 124.270 122.820 0.038 0.000 2.580 312 A HA 0.308 4.664 4.320 0.061 0.000 0.244 312 A C 1.322 178.930 177.584 0.040 0.000 1.045 312 A CA 1.087 53.145 52.037 0.035 0.000 0.761 312 A CB -0.687 18.329 19.000 0.027 0.000 0.962 312 A HN 0.979 nan 8.150 nan 0.000 0.512 313 G N 1.700 110.526 108.800 0.043 0.000 2.194 313 G HA2 -0.178 3.818 3.960 0.061 0.000 0.236 313 G HA3 -0.178 3.818 3.960 0.061 0.000 0.236 313 G C 0.025 174.947 174.900 0.037 0.000 0.987 313 G CA 0.327 45.452 45.100 0.041 0.000 0.635 313 G HN 0.846 nan 8.290 nan 0.000 0.520 314 E N 0.597 120.828 120.200 0.052 0.000 2.301 314 E HA 0.496 4.883 4.350 0.061 0.000 0.275 314 E C 0.829 177.450 176.600 0.035 0.000 1.030 314 E CA -0.057 56.377 56.400 0.056 0.000 0.852 314 E CB 1.198 30.990 29.700 0.153 0.000 1.060 314 E HN 0.339 nan 8.360 nan 0.000 0.401 315 G N 0.935 109.722 108.800 -0.021 0.000 2.415 315 G HA2 0.415 4.412 3.960 0.061 0.000 0.269 315 G HA3 0.415 4.412 3.960 0.061 0.000 0.269 315 G C -0.664 174.209 174.900 -0.044 0.000 1.209 315 G CA -0.319 44.722 45.100 -0.097 0.000 0.835 315 G HN 0.268 nan 8.290 nan 0.000 0.534 316 V N 2.813 122.667 119.914 -0.101 0.000 2.638 316 V HA 0.425 4.581 4.120 0.061 0.000 0.306 316 V C -0.331 175.671 176.094 -0.153 0.000 1.052 316 V CA -0.562 61.707 62.300 -0.052 0.000 0.885 316 V CB 1.824 33.634 31.823 -0.022 0.000 0.999 316 V HN 0.660 nan 8.190 nan 0.000 0.424 317 I N 4.283 124.754 120.570 -0.165 0.000 2.382 317 I HA 0.385 4.591 4.170 0.061 0.000 0.286 317 I C -0.352 175.680 176.117 -0.142 0.000 1.002 317 I CA -0.874 60.321 61.300 -0.175 0.000 1.135 317 I CB 2.029 39.898 38.000 -0.218 0.000 1.288 317 I HN 0.292 nan 8.210 nan 0.000 0.448 318 V N 7.507 127.375 119.914 -0.076 0.000 2.387 318 V HA 0.082 4.238 4.120 0.061 0.000 0.260 318 V C 0.358 176.436 176.094 -0.026 0.000 1.054 318 V CA -0.432 61.837 62.300 -0.052 0.000 0.967 318 V CB 0.899 32.711 31.823 -0.018 0.000 1.036 318 V HN 0.414 nan 8.190 nan 0.000 0.481 319 V N 6.400 126.283 119.914 -0.052 0.000 2.299 319 V HA 0.105 4.261 4.120 0.061 0.000 0.255 319 V C 1.316 177.420 176.094 0.017 0.000 1.100 319 V CA -0.248 62.043 62.300 -0.014 0.000 0.938 319 V CB 0.156 31.920 31.823 -0.098 0.000 1.139 319 V HN 1.067 nan 8.190 nan 0.000 0.490 320 N N 3.240 121.972 118.700 0.053 0.000 2.381 320 N HA -0.180 4.596 4.740 0.061 0.000 0.182 320 N C 1.794 177.354 175.510 0.083 0.000 1.025 320 N CA 1.246 54.338 53.050 0.071 0.000 0.888 320 N CB -0.208 38.331 38.487 0.087 0.000 0.965 320 N HN 0.599 nan 8.380 nan 0.000 0.438 321 S N 0.867 116.615 115.700 0.080 0.000 2.356 321 S HA -0.078 4.428 4.470 0.061 0.000 0.223 321 S C 1.908 176.561 174.600 0.089 0.000 1.032 321 S CA 0.822 59.071 58.200 0.081 0.000 1.005 321 S CB -0.824 62.447 63.200 0.118 0.000 0.867 321 S HN 0.362 nan 8.310 nan 0.000 0.449 322 I N 2.476 123.091 120.570 0.075 0.000 2.252 322 I HA -0.104 4.102 4.170 0.061 0.000 0.245 322 I C 3.110 179.282 176.117 0.092 0.000 1.102 322 I CA 1.052 62.389 61.300 0.062 0.000 1.385 322 I CB -0.742 37.245 38.000 -0.022 0.000 1.064 322 I HN 0.414 nan 8.210 nan 0.000 0.414 323 A N 1.015 123.892 122.820 0.095 0.000 1.940 323 A HA -0.221 4.136 4.320 0.061 0.000 0.219 323 A C 1.921 179.685 177.584 0.300 0.000 1.176 323 A CA 1.916 54.048 52.037 0.160 0.000 0.631 323 A CB -0.663 18.395 19.000 0.097 0.000 0.814 323 A HN 0.419 nan 8.150 nan 0.000 0.446 324 N N -0.486 118.366 118.700 0.253 0.000 2.550 324 N HA -0.034 4.743 4.740 0.061 0.000 0.186 324 N C 0.762 176.400 175.510 0.214 0.000 1.110 324 N CA 0.483 53.692 53.050 0.265 0.000 0.912 324 N CB -0.033 38.519 38.487 0.108 0.000 0.968 324 N HN 0.283 nan 8.380 nan 0.000 0.448 325 R N 0.466 121.084 120.500 0.197 0.000 2.552 325 R HA 0.126 4.502 4.340 0.061 0.000 0.314 325 R C -0.402 176.010 176.300 0.187 0.000 1.041 325 R CA -0.288 55.918 56.100 0.177 0.000 1.076 325 R CB -0.383 29.985 30.300 0.114 0.000 1.290 325 R HN 0.077 nan 8.270 nan 0.000 0.563 326 D N 0.515 121.050 120.400 0.225 0.000 2.342 326 D HA 0.050 4.726 4.640 0.061 0.000 0.260 326 D C 1.151 177.514 176.300 0.104 0.000 1.278 326 D CA 0.146 54.232 54.000 0.144 0.000 0.910 326 D CB 1.081 41.965 40.800 0.140 0.000 1.079 326 D HN 0.289 nan 8.370 nan 0.000 0.496 327 G N 2.532 111.381 108.800 0.080 0.000 2.559 327 G HA2 -0.219 3.777 3.960 0.061 0.000 0.216 327 G HA3 -0.219 3.777 3.960 0.061 0.000 0.216 327 G C 1.422 176.324 174.900 0.003 0.000 1.126 327 G CA 1.118 46.255 45.100 0.061 0.000 0.778 327 G HN 0.593 nan 8.290 nan 0.000 0.543 328 T N -2.244 112.293 114.554 -0.027 0.000 3.085 328 T HA 0.110 4.497 4.350 0.061 0.000 0.263 328 T C 1.870 176.477 174.700 -0.154 0.000 1.127 328 T CA 1.116 63.176 62.100 -0.065 0.000 1.103 328 T CB 0.284 69.123 68.868 -0.049 0.000 0.921 328 T HN 0.031 nan 8.240 nan 0.000 0.510 329 V N -1.377 118.379 119.914 -0.264 0.000 3.013 329 V HA 0.329 4.485 4.120 0.061 0.000 0.238 329 V C -0.192 175.475 176.094 -0.711 0.000 1.161 329 V CA -0.122 61.824 62.300 -0.589 0.000 1.170 329 V CB -0.050 31.173 31.823 -1.001 0.000 0.917 329 V HN 0.425 nan 8.190 nan 0.000 0.478 330 Y N 1.216 121.494 120.300 -0.036 0.000 2.464 330 Y HA 0.484 5.069 4.550 0.059 0.000 0.326 330 Y C 0.296 176.205 175.900 0.016 0.000 0.969 330 Y CA -1.255 56.845 58.100 0.000 0.000 1.270 330 Y CB 0.560 39.032 38.460 0.020 0.000 1.103 330 Y HN 0.138 nan 8.280 nan 0.000 0.491 331 E N 4.490 124.759 120.200 0.116 0.000 2.480 331 E HA -0.086 4.301 4.350 0.061 0.000 0.258 331 E C -0.506 176.153 176.600 0.099 0.000 0.984 331 E CA 0.295 56.743 56.400 0.080 0.000 0.930 331 E CB 0.269 30.002 29.700 0.054 0.000 0.936 331 E HN 0.708 nan 8.360 nan 0.000 0.466 332 D N 4.584 125.035 120.400 0.086 0.000 2.927 332 D HA -0.132 4.544 4.640 0.061 0.000 0.236 332 D C -1.773 174.599 176.300 0.120 0.000 1.163 332 D CA 0.421 54.475 54.000 0.090 0.000 0.801 332 D CB -0.438 40.404 40.800 0.071 0.000 0.975 332 D HN 0.526 nan 8.370 nan 0.000 0.413 333 P HA -0.132 nan 4.420 nan 0.000 0.220 333 P C 0.772 178.198 177.300 0.211 0.000 1.148 333 P CA 0.943 64.156 63.100 0.188 0.000 0.803 333 P CB 0.371 32.187 31.700 0.193 0.000 0.782 334 D N -0.261 120.261 120.400 0.204 0.000 2.340 334 D HA 0.150 4.827 4.640 0.061 0.000 0.220 334 D C 0.776 177.293 176.300 0.362 0.000 1.039 334 D CA 0.161 54.330 54.000 0.283 0.000 0.866 334 D CB -0.077 40.831 40.800 0.181 0.000 0.913 334 D HN 0.129 nan 8.370 nan 0.000 0.523 335 A N 0.957 123.897 122.820 0.200 0.000 2.309 335 A HA 0.371 4.727 4.320 0.061 0.000 0.290 335 A C -0.059 177.401 177.584 -0.207 0.000 1.206 335 A CA -0.543 51.533 52.037 0.066 0.000 0.850 335 A CB 0.325 19.350 19.000 0.042 0.000 1.118 335 A HN 0.195 nan 8.150 nan 0.000 0.523 336 L N 2.657 123.540 121.223 -0.567 0.000 2.477 336 L HA 0.346 4.722 4.340 0.061 0.000 0.272 336 L C -0.518 176.080 176.870 -0.453 0.000 1.157 336 L CA 0.651 54.905 54.840 -0.978 0.000 0.889 336 L CB 0.426 41.663 42.059 -1.369 0.000 1.158 336 L HN 0.656 nan 8.230 nan 0.000 0.473 337 D N 4.300 124.488 120.400 -0.352 0.000 2.336 337 D HA 0.135 4.811 4.640 0.061 0.000 0.248 337 D C 0.863 177.068 176.300 -0.158 0.000 1.326 337 D CA -0.373 53.532 54.000 -0.158 0.000 0.973 337 D CB 0.625 41.391 40.800 -0.056 0.000 1.255 337 D HN 0.550 nan 8.370 nan 0.000 0.558 338 I N 0.403 120.855 120.570 -0.196 0.000 2.850 338 I HA -0.066 4.140 4.170 0.061 0.000 0.266 338 I C 0.789 176.730 176.117 -0.293 0.000 1.257 338 I CA 0.858 62.002 61.300 -0.259 0.000 1.465 338 I CB -0.103 37.720 38.000 -0.295 0.000 1.091 338 I HN 0.270 nan 8.210 nan 0.000 0.467 339 H N 2.169 121.209 119.070 -0.049 0.000 2.553 339 H HA 0.188 4.781 4.556 0.061 0.000 0.265 339 H C 0.889 176.210 175.328 -0.012 0.000 0.964 339 H CA -0.101 55.934 56.048 -0.023 0.000 1.156 339 H CB 0.037 29.790 29.762 -0.015 0.000 1.411 339 H HN 0.517 nan 8.280 nan 0.000 0.558 340 R N 1.024 121.566 120.500 0.069 0.000 2.679 340 R HA 0.184 4.560 4.340 0.061 0.000 0.269 340 R C 0.060 176.393 176.300 0.055 0.000 1.076 340 R CA -0.221 55.916 56.100 0.062 0.000 1.160 340 R CB 0.599 30.927 30.300 0.045 0.000 1.054 340 R HN -0.153 nan 8.270 nan 0.000 0.507 341 S N 0.736 116.486 115.700 0.084 0.000 2.422 341 S HA 0.305 4.811 4.470 0.061 0.000 0.283 341 S C 0.492 175.181 174.600 0.149 0.000 1.163 341 S CA -0.255 57.998 58.200 0.088 0.000 1.054 341 S CB 0.510 63.759 63.200 0.082 0.000 0.967 341 S HN 0.699 nan 8.310 nan 0.000 0.499 342 A N 5.893 128.771 122.820 0.097 0.000 2.370 342 A HA 0.282 4.638 4.320 0.061 0.000 0.238 342 A C 0.887 178.616 177.584 0.241 0.000 1.289 342 A CA -0.306 51.787 52.037 0.093 0.000 0.885 342 A CB -0.039 18.930 19.000 -0.051 0.000 0.961 342 A HN 0.814 nan 8.150 nan 0.000 0.499 343 R N 0.090 120.660 120.500 0.117 0.000 2.734 343 R HA 0.192 4.568 4.340 0.061 0.000 0.266 343 R C 0.166 176.381 176.300 -0.141 0.000 1.044 343 R CA 0.201 56.216 56.100 -0.141 0.000 1.128 343 R CB 0.027 30.077 30.300 -0.415 0.000 1.010 343 R HN 0.624 nan 8.270 nan 0.000 0.461 344 H N -2.334 116.856 119.070 0.201 0.000 3.415 344 H HA -0.174 4.417 4.556 0.060 0.000 0.213 344 H C 0.061 175.640 175.328 0.417 0.000 1.091 344 H CA 1.001 57.198 56.048 0.249 0.000 1.182 344 H CB -2.579 27.316 29.762 0.222 0.000 1.160 344 H HN 0.885 nan 8.280 nan 0.000 0.319 345 H N -0.275 119.069 119.070 0.458 0.000 2.745 345 H HA 0.428 5.020 4.556 0.060 0.000 0.373 345 H C 1.179 176.694 175.328 0.313 0.000 1.226 345 H CA -0.172 56.120 56.048 0.406 0.000 1.435 345 H CB 0.547 30.378 29.762 0.115 0.000 1.461 345 H HN 0.178 nan 8.280 nan 0.000 0.616 346 L N 1.596 123.065 121.223 0.410 0.000 2.818 346 L HA 0.314 4.690 4.340 0.061 0.000 0.243 346 L C 2.009 179.028 176.870 0.248 0.000 1.185 346 L CA 0.326 55.317 54.840 0.251 0.000 0.988 346 L CB -0.082 42.053 42.059 0.126 0.000 1.292 346 L HN 0.931 nan 8.230 nan 0.000 0.519 347 A N 0.000 123.032 122.820 0.354 0.000 2.024 347 A HA -0.140 4.216 4.320 0.061 0.000 0.220 347 A C 1.514 179.063 177.584 -0.058 0.000 1.164 347 A CA 1.601 53.650 52.037 0.020 0.000 0.643 347 A CB -0.397 18.437 19.000 -0.276 0.000 0.806 347 A HN 0.396 nan 8.150 nan 0.000 0.451 348 F N -0.874 119.214 119.950 0.229 0.000 2.653 348 F HA 0.435 4.997 4.527 0.058 0.000 0.304 348 F C 1.570 177.447 175.800 0.128 0.000 1.092 348 F CA 0.107 58.197 58.000 0.150 0.000 1.279 348 F CB -0.236 38.838 39.000 0.122 0.000 1.044 348 F HN 0.443 nan 8.300 nan 0.000 0.564 349 G N 1.030 110.001 108.800 0.286 0.000 2.584 349 G HA2 -0.195 3.801 3.960 0.061 0.000 0.229 349 G HA3 -0.195 3.801 3.960 0.061 0.000 0.229 349 G C -1.045 174.032 174.900 0.295 0.000 1.320 349 G CA -0.256 44.992 45.100 0.246 0.000 0.891 349 G HN 0.322 nan 8.290 nan 0.000 0.573 350 F N -0.130 119.876 119.950 0.093 0.000 2.672 350 F HA 0.619 5.181 4.527 0.059 0.000 0.311 350 F C 0.604 176.439 175.800 0.059 0.000 1.113 350 F CA 1.701 59.739 58.000 0.062 0.000 0.996 350 F CB 1.170 40.183 39.000 0.023 0.000 1.286 350 F HN 2.588 nan 8.300 nan 0.000 0.441 351 G N 2.802 111.052 108.800 -0.916 0.000 2.508 351 G HA2 -0.107 3.889 3.960 0.061 0.000 0.220 351 G HA3 -0.107 3.889 3.960 0.061 0.000 0.220 351 G C 0.510 175.251 174.900 -0.266 0.000 1.287 351 G CA 0.261 45.007 45.100 -0.590 0.000 0.916 351 G HN 1.885 nan 8.290 nan 0.000 0.574 352 V N -2.664 117.140 119.914 -0.183 0.000 2.594 352 V HA -0.014 4.142 4.120 0.061 0.000 0.253 352 V C 1.931 177.885 176.094 -0.234 0.000 1.069 352 V CA 2.666 64.841 62.300 -0.208 0.000 1.082 352 V CB -0.706 30.949 31.823 -0.281 0.000 0.680 352 V HN 0.747 nan 8.190 nan 0.000 0.469 353 H N 0.125 119.151 119.070 -0.073 0.000 2.526 353 H HA 0.290 4.871 4.556 0.041 0.000 0.274 353 H C 1.101 176.473 175.328 0.073 0.000 0.999 353 H CA 0.060 56.127 56.048 0.031 0.000 1.157 353 H CB 0.171 29.938 29.762 0.008 0.000 1.407 353 H HN 0.630 nan 8.280 nan 0.000 0.568 354 Q N 1.056 120.912 119.800 0.093 0.000 2.304 354 Q HA -0.045 4.331 4.340 0.061 0.000 0.301 354 Q C 0.040 176.085 176.000 0.074 0.000 1.063 354 Q CA -0.104 55.748 55.803 0.082 0.000 0.947 354 Q CB 0.627 29.356 28.738 -0.014 0.000 1.201 354 Q HN 0.377 nan 8.270 nan 0.000 0.389 355 C N 5.757 125.120 119.300 0.105 0.000 2.106 355 C HA -0.127 4.369 4.460 0.061 0.000 0.402 355 C C 1.822 176.741 174.990 -0.118 0.000 1.548 355 C CA -0.215 58.825 59.018 0.036 0.000 1.432 355 C CB -1.370 26.422 27.740 0.087 0.000 2.584 355 C HN 0.989 nan 8.230 nan 0.000 0.604 356 L N 6.255 127.405 121.223 -0.122 0.000 2.141 356 L HA 0.167 4.543 4.340 0.061 0.000 0.209 356 L C 2.203 178.789 176.870 -0.474 0.000 1.094 356 L CA 2.449 57.111 54.840 -0.296 0.000 0.763 356 L CB -0.671 41.184 42.059 -0.341 0.000 0.908 356 L HN 0.863 nan 8.230 nan 0.000 0.437 357 G N -1.299 107.276 108.800 -0.376 0.000 3.141 357 G HA2 -0.046 3.950 3.960 0.061 0.000 0.218 357 G HA3 -0.046 3.950 3.960 0.061 0.000 0.218 357 G C 1.181 175.992 174.900 -0.148 0.000 1.170 357 G CA 0.367 45.339 45.100 -0.213 0.000 0.769 357 G HN 0.658 nan 8.290 nan 0.000 0.546 358 Q N 0.531 120.097 119.800 -0.390 0.000 2.135 358 Q HA -0.148 4.228 4.340 0.061 0.000 0.204 358 Q C 1.750 177.527 176.000 -0.371 0.000 0.981 358 Q CA 1.376 56.678 55.803 -0.835 0.000 0.856 358 Q CB -0.356 27.482 28.738 -1.501 0.000 0.902 358 Q HN 0.240 nan 8.270 nan 0.000 0.425 359 N N 0.628 119.222 118.700 -0.176 0.000 2.300 359 N HA -0.055 4.722 4.740 0.061 0.000 0.179 359 N C 1.742 177.269 175.510 0.028 0.000 1.016 359 N CA 0.648 53.671 53.050 -0.045 0.000 0.876 359 N CB -0.139 38.337 38.487 -0.018 0.000 0.979 359 N HN 0.207 nan 8.380 nan 0.000 0.432 360 L N 1.476 122.746 121.223 0.078 0.000 2.042 360 L HA -0.061 4.316 4.340 0.061 0.000 0.210 360 L C 2.086 179.005 176.870 0.082 0.000 1.076 360 L CA 1.554 56.455 54.840 0.103 0.000 0.749 360 L CB -0.903 41.273 42.059 0.195 0.000 0.893 360 L HN 0.106 nan 8.230 nan 0.000 0.432 361 A N -0.496 122.379 122.820 0.090 0.000 1.902 361 A HA -0.221 4.135 4.320 0.061 0.000 0.217 361 A C 2.428 180.094 177.584 0.135 0.000 1.181 361 A CA 1.842 53.960 52.037 0.135 0.000 0.623 361 A CB -0.529 18.620 19.000 0.249 0.000 0.818 361 A HN 0.510 nan 8.150 nan 0.000 0.443 362 R N -1.164 119.415 120.500 0.132 0.000 2.081 362 R HA -0.088 4.289 4.340 0.061 0.000 0.235 362 R C 2.155 178.503 176.300 0.079 0.000 1.131 362 R CA 1.381 57.557 56.100 0.127 0.000 0.960 362 R CB -0.564 29.806 30.300 0.117 0.000 0.856 362 R HN 0.506 nan 8.270 nan 0.000 0.436 363 L N 1.672 122.931 121.223 0.060 0.000 1.989 363 L HA -0.192 4.184 4.340 0.061 0.000 0.211 363 L C 1.729 178.621 176.870 0.037 0.000 1.071 363 L CA 1.893 56.759 54.840 0.044 0.000 0.749 363 L CB -0.410 41.669 42.059 0.034 0.000 0.890 363 L HN 0.135 nan 8.230 nan 0.000 0.431 364 E N -0.496 119.724 120.200 0.034 0.000 2.058 364 E HA -0.245 4.142 4.350 0.061 0.000 0.194 364 E C 2.246 178.855 176.600 0.014 0.000 0.997 364 E CA 1.799 58.205 56.400 0.010 0.000 0.801 364 E CB -0.321 29.379 29.700 -0.001 0.000 0.746 364 E HN 0.539 nan 8.360 nan 0.000 0.450 365 L N 0.935 122.181 121.223 0.037 0.000 2.109 365 L HA -0.146 4.230 4.340 0.061 0.000 0.207 365 L C 2.740 179.636 176.870 0.044 0.000 1.086 365 L CA 0.813 55.676 54.840 0.039 0.000 0.760 365 L CB -0.384 41.706 42.059 0.051 0.000 0.910 365 L HN 0.162 nan 8.230 nan 0.000 0.437 366 E N 0.739 120.967 120.200 0.047 0.000 2.051 366 E HA -0.187 4.199 4.350 0.061 0.000 0.192 366 E C 2.170 178.798 176.600 0.046 0.000 0.991 366 E CA 1.768 58.195 56.400 0.045 0.000 0.799 366 E CB -0.018 29.708 29.700 0.044 0.000 0.748 366 E HN 0.288 nan 8.360 nan 0.000 0.449 367 V N 1.540 121.477 119.914 0.040 0.000 2.343 367 V HA -0.253 3.904 4.120 0.061 0.000 0.247 367 V C 2.676 178.789 176.094 0.033 0.000 1.051 367 V CA 1.680 64.002 62.300 0.037 0.000 1.036 367 V CB -0.471 31.369 31.823 0.028 0.000 0.654 367 V HN 0.250 nan 8.190 nan 0.000 0.451 368 I N -0.449 120.149 120.570 0.046 0.000 2.127 368 I HA -0.284 3.922 4.170 0.061 0.000 0.241 368 I C 2.344 178.532 176.117 0.119 0.000 1.075 368 I CA 1.747 63.115 61.300 0.114 0.000 1.334 368 I CB -0.309 37.745 38.000 0.090 0.000 1.040 368 I HN 0.249 nan 8.210 nan 0.000 0.405 369 L N 0.134 121.412 121.223 0.092 0.000 2.017 369 L HA -0.221 4.155 4.340 0.061 0.000 0.208 369 L C 2.350 179.275 176.870 0.092 0.000 1.073 369 L CA 1.231 56.133 54.840 0.104 0.000 0.745 369 L CB -0.824 41.292 42.059 0.094 0.000 0.894 369 L HN 0.327 nan 8.230 nan 0.000 0.432 370 N N 0.320 119.061 118.700 0.067 0.000 2.104 370 N HA -0.169 4.608 4.740 0.061 0.000 0.190 370 N C 1.858 177.399 175.510 0.052 0.000 1.024 370 N CA 1.629 54.713 53.050 0.057 0.000 0.853 370 N CB -0.199 38.323 38.487 0.058 0.000 1.008 370 N HN 0.332 nan 8.380 nan 0.000 0.424 371 A N 1.298 124.133 122.820 0.024 0.000 1.902 371 A HA -0.048 4.308 4.320 0.061 0.000 0.217 371 A C 2.439 179.998 177.584 -0.042 0.000 1.181 371 A CA 0.871 52.883 52.037 -0.041 0.000 0.623 371 A CB -0.722 18.103 19.000 -0.291 0.000 0.818 371 A HN 0.206 nan 8.150 nan 0.000 0.443 372 L N -1.169 120.033 121.223 -0.034 0.000 2.046 372 L HA -0.210 4.167 4.340 0.061 0.000 0.208 372 L C 2.870 179.732 176.870 -0.014 0.000 1.077 372 L CA 1.569 56.372 54.840 -0.062 0.000 0.747 372 L CB -0.483 41.575 42.059 -0.001 0.000 0.896 372 L HN 0.423 nan 8.230 nan 0.000 0.432 373 M N -0.788 118.825 119.600 0.022 0.000 2.175 373 M HA -0.182 4.334 4.480 0.061 0.000 0.264 373 M C 1.672 177.950 176.300 -0.036 0.000 1.063 373 M CA 1.390 56.670 55.300 -0.035 0.000 1.119 373 M CB -0.418 32.148 32.600 -0.057 0.000 1.377 373 M HN 0.194 nan 8.290 nan 0.000 0.415 374 D N 0.072 120.471 120.400 -0.001 0.000 2.091 374 D HA -0.064 4.612 4.640 0.061 0.000 0.199 374 D C 2.196 178.498 176.300 0.003 0.000 0.980 374 D CA 1.138 55.147 54.000 0.014 0.000 0.831 374 D CB -0.122 40.719 40.800 0.069 0.000 0.987 374 D HN 0.200 nan 8.370 nan 0.000 0.460 375 R N -0.121 120.377 120.500 -0.003 0.000 2.173 375 R HA 0.127 4.504 4.340 0.061 0.000 0.208 375 R C 0.571 176.815 176.300 -0.093 0.000 1.035 375 R CA 0.193 56.274 56.100 -0.033 0.000 1.004 375 R CB 0.327 30.610 30.300 -0.029 0.000 0.917 375 R HN 0.047 nan 8.270 nan 0.000 0.462 376 V N 3.775 123.620 119.914 -0.114 0.000 2.562 376 V HA 0.185 4.341 4.120 0.061 0.000 0.274 376 V C -2.021 174.053 176.094 -0.033 0.000 1.075 376 V CA -1.390 60.832 62.300 -0.130 0.000 1.204 376 V CB 1.480 33.109 31.823 -0.323 0.000 1.478 376 V HN -0.021 nan 8.190 nan 0.000 0.622 377 P HA -0.095 nan 4.420 nan 0.000 0.222 377 P C 1.211 178.524 177.300 0.022 0.000 1.147 377 P CA 1.574 64.660 63.100 -0.025 0.000 0.790 377 P CB -0.101 31.578 31.700 -0.035 0.000 0.780 378 T N -3.744 110.858 114.554 0.080 0.000 3.144 378 T HA 0.168 4.554 4.350 0.061 0.000 0.249 378 T C 0.657 175.471 174.700 0.191 0.000 1.089 378 T CA -0.561 61.619 62.100 0.133 0.000 0.989 378 T CB -0.876 68.099 68.868 0.178 0.000 0.992 378 T HN -0.124 nan 8.240 nan 0.000 0.540 379 L N 3.447 124.774 121.223 0.173 0.000 2.559 379 L HA 0.274 4.650 4.340 0.061 0.000 0.282 379 L C 0.339 177.325 176.870 0.193 0.000 1.232 379 L CA 0.549 55.511 54.840 0.202 0.000 0.885 379 L CB 0.175 42.303 42.059 0.116 0.000 1.131 379 L HN 0.548 nan 8.230 nan 0.000 0.498 380 R N 4.177 124.793 120.500 0.193 0.000 2.692 380 R HA 0.509 4.885 4.340 0.061 0.000 0.269 380 R C -1.621 174.756 176.300 0.129 0.000 1.030 380 R CA -1.132 55.054 56.100 0.143 0.000 0.882 380 R CB 0.587 30.958 30.300 0.119 0.000 1.250 380 R HN 0.526 nan 8.270 nan 0.000 0.465 381 L N 1.446 122.727 121.223 0.096 0.000 2.461 381 L HA 0.259 4.635 4.340 0.061 0.000 0.272 381 L C 1.261 178.170 176.870 0.065 0.000 1.197 381 L CA 0.100 54.989 54.840 0.081 0.000 0.836 381 L CB 1.110 43.208 42.059 0.065 0.000 1.105 381 L HN 1.019 nan 8.230 nan 0.000 0.477 382 A N 3.092 125.945 122.820 0.056 0.000 2.195 382 A HA 0.284 4.640 4.320 0.061 0.000 0.210 382 A C 0.451 178.048 177.584 0.021 0.000 1.165 382 A CA 0.278 52.332 52.037 0.030 0.000 0.806 382 A CB 0.125 19.136 19.000 0.018 0.000 0.847 382 A HN 0.515 nan 8.150 nan 0.000 0.482 383 V N -4.079 115.852 119.914 0.027 0.000 3.001 383 V HA 0.683 4.840 4.120 0.061 0.000 0.314 383 V C -3.298 172.810 176.094 0.023 0.000 1.099 383 V CA -2.881 59.431 62.300 0.020 0.000 0.989 383 V CB 1.284 33.116 31.823 0.016 0.000 1.040 383 V HN 0.027 nan 8.190 nan 0.000 0.434 384 P HA 0.281 nan 4.420 nan 0.000 0.271 384 P C 1.056 178.366 177.300 0.017 0.000 1.218 384 P CA -0.163 62.947 63.100 0.017 0.000 0.780 384 P CB 0.946 32.652 31.700 0.009 0.000 0.901 385 V N 1.942 121.870 119.914 0.023 0.000 2.380 385 V HA -0.276 3.881 4.120 0.061 0.000 0.251 385 V C 1.819 177.911 176.094 -0.003 0.000 1.063 385 V CA 2.030 64.343 62.300 0.021 0.000 1.055 385 V CB -1.197 30.649 31.823 0.039 0.000 0.657 385 V HN 0.604 nan 8.190 nan 0.000 0.455 386 E N -0.292 119.903 120.200 -0.009 0.000 2.265 386 E HA -0.215 4.171 4.350 0.061 0.000 0.196 386 E C 2.148 178.737 176.600 -0.019 0.000 0.996 386 E CA 0.858 57.245 56.400 -0.022 0.000 0.832 386 E CB -0.233 29.455 29.700 -0.019 0.000 0.756 386 E HN 0.648 nan 8.360 nan 0.000 0.491 387 Q N -0.178 119.616 119.800 -0.010 0.000 2.424 387 Q HA 0.106 4.483 4.340 0.061 0.000 0.204 387 Q C 0.013 176.008 176.000 -0.008 0.000 0.933 387 Q CA -0.076 55.722 55.803 -0.008 0.000 0.929 387 Q CB 0.225 28.961 28.738 -0.002 0.000 1.037 387 Q HN 0.276 nan 8.270 nan 0.000 0.511 388 L N 0.697 121.915 121.223 -0.008 0.000 2.467 388 L HA 0.094 4.470 4.340 0.061 0.000 0.270 388 L C -0.154 176.705 176.870 -0.019 0.000 1.205 388 L CA -0.343 54.493 54.840 -0.007 0.000 0.828 388 L CB 0.627 42.686 42.059 -0.001 0.000 1.101 388 L HN -0.151 nan 8.230 nan 0.000 0.479 389 V N 4.337 124.242 119.914 -0.016 0.000 2.311 389 V HA 0.298 4.454 4.120 0.061 0.000 0.275 389 V C 0.229 176.306 176.094 -0.029 0.000 1.022 389 V CA -0.424 61.861 62.300 -0.025 0.000 0.830 389 V CB 1.173 32.984 31.823 -0.021 0.000 1.012 389 V HN 0.452 nan 8.190 nan 0.000 0.452 390 L N 4.958 126.155 121.223 -0.043 0.000 2.350 390 L HA 0.520 4.896 4.340 0.061 0.000 0.275 390 L C 0.727 177.566 176.870 -0.052 0.000 1.099 390 L CA -0.518 54.292 54.840 -0.050 0.000 0.808 390 L CB 0.703 42.719 42.059 -0.071 0.000 1.149 390 L HN 0.524 nan 8.230 nan 0.000 0.442 391 R N 2.885 123.357 120.500 -0.046 0.000 2.694 391 R HA 0.193 4.569 4.340 0.061 0.000 0.268 391 R C -2.101 174.160 176.300 -0.065 0.000 1.061 391 R CA -1.016 55.056 56.100 -0.046 0.000 1.133 391 R CB 0.154 30.434 30.300 -0.033 0.000 1.020 391 R HN 0.407 nan 8.270 nan 0.000 0.475 392 P HA 0.018 nan 4.420 nan 0.000 0.274 392 P C 0.111 177.353 177.300 -0.098 0.000 1.256 392 P CA -0.258 62.788 63.100 -0.089 0.000 0.795 392 P CB 0.648 32.300 31.700 -0.080 0.000 1.038 393 G N -0.125 108.593 108.800 -0.136 0.000 2.708 393 G HA2 -0.141 3.855 3.960 0.061 0.000 0.210 393 G HA3 -0.141 3.855 3.960 0.061 0.000 0.210 393 G C 1.071 175.898 174.900 -0.122 0.000 1.141 393 G CA 0.860 45.872 45.100 -0.147 0.000 0.788 393 G HN 0.649 nan 8.290 nan 0.000 0.531 394 T N -3.457 111.037 114.554 -0.100 0.000 3.129 394 T HA 0.285 4.671 4.350 0.061 0.000 0.251 394 T C 0.830 175.520 174.700 -0.016 0.000 1.117 394 T CA 0.664 62.720 62.100 -0.073 0.000 1.034 394 T CB 0.488 69.305 68.868 -0.085 0.000 0.968 394 T HN 0.115 nan 8.240 nan 0.000 0.526 395 T N 0.198 114.744 114.554 -0.014 0.000 2.716 395 T HA 0.603 4.989 4.350 0.061 0.000 0.286 395 T C -0.951 173.760 174.700 0.018 0.000 1.052 395 T CA -1.115 60.994 62.100 0.016 0.000 1.024 395 T CB 0.978 69.848 68.868 0.004 0.000 1.349 395 T HN 0.234 nan 8.240 nan 0.000 0.525 396 I N 3.143 123.729 120.570 0.027 0.000 2.683 396 I HA 0.090 4.297 4.170 0.061 0.000 0.286 396 I C 0.936 177.056 176.117 0.005 0.000 1.175 396 I CA -0.288 61.027 61.300 0.025 0.000 1.429 396 I CB 0.532 38.552 38.000 0.033 0.000 1.371 396 I HN 0.491 nan 8.210 nan 0.000 0.569 397 Q N 5.008 124.808 119.800 -0.001 0.000 2.361 397 Q HA 0.444 4.820 4.340 0.061 0.000 0.276 397 Q C 0.381 176.374 176.000 -0.011 0.000 1.022 397 Q CA 0.171 55.963 55.803 -0.018 0.000 0.898 397 Q CB 1.272 29.995 28.738 -0.025 0.000 1.246 397 Q HN 0.966 nan 8.270 nan 0.000 0.410 398 G N -0.416 108.374 108.800 -0.017 0.000 2.321 398 G HA2 0.390 4.386 3.960 0.061 0.000 0.296 398 G HA3 0.390 4.386 3.960 0.061 0.000 0.296 398 G C -1.375 173.519 174.900 -0.011 0.000 1.287 398 G CA -0.203 44.893 45.100 -0.007 0.000 0.846 398 G HN 0.597 nan 8.290 nan 0.000 0.508 399 V N -1.788 118.125 119.914 -0.001 0.000 2.680 399 V HA 0.603 4.759 4.120 0.061 0.000 0.309 399 V C 0.835 176.931 176.094 0.003 0.000 1.052 399 V CA -0.816 61.484 62.300 -0.001 0.000 0.908 399 V CB 1.749 33.576 31.823 0.007 0.000 1.001 399 V HN 0.567 nan 8.190 nan 0.000 0.431 400 N N 1.455 120.154 118.700 -0.002 0.000 2.166 400 N HA -0.059 4.718 4.740 0.061 0.000 0.186 400 N C 0.444 175.961 175.510 0.011 0.000 1.019 400 N CA 1.683 54.733 53.050 0.001 0.000 0.856 400 N CB -0.015 38.469 38.487 -0.005 0.000 0.993 400 N HN 0.967 nan 8.380 nan 0.000 0.426 401 E N -0.900 119.310 120.200 0.016 0.000 2.366 401 E HA 0.396 4.782 4.350 0.061 0.000 0.278 401 E C -1.901 174.720 176.600 0.035 0.000 0.923 401 E CA -0.657 55.760 56.400 0.027 0.000 0.761 401 E CB 1.279 30.993 29.700 0.024 0.000 1.231 401 E HN -0.086 nan 8.360 nan 0.000 0.443 402 L N 4.755 126.009 121.223 0.051 0.000 2.490 402 L HA 0.465 4.841 4.340 0.061 0.000 0.256 402 L C -2.757 174.158 176.870 0.075 0.000 1.089 402 L CA -1.827 53.048 54.840 0.059 0.000 0.916 402 L CB 1.399 43.497 42.059 0.065 0.000 1.188 402 L HN 0.327 nan 8.230 nan 0.000 0.476 403 P HA 0.187 nan 4.420 nan 0.000 0.266 403 P C -0.850 176.505 177.300 0.092 0.000 1.215 403 P CA 0.238 63.381 63.100 0.072 0.000 0.763 403 P CB 0.743 32.471 31.700 0.045 0.000 0.806 404 V N 0.766 120.763 119.914 0.138 0.000 3.040 404 V HA 0.918 5.074 4.120 0.061 0.000 0.312 404 V C -0.410 175.812 176.094 0.213 0.000 1.115 404 V CA -0.584 61.830 62.300 0.190 0.000 0.998 404 V CB 2.180 34.143 31.823 0.234 0.000 1.042 404 V HN 0.485 nan 8.190 nan 0.000 0.433 405 T N 1.296 115.979 114.554 0.215 0.000 2.812 405 T HA 0.885 5.272 4.350 0.061 0.000 0.294 405 T C -1.870 173.011 174.700 0.302 0.000 1.159 405 T CA 0.048 62.165 62.100 0.027 0.000 1.008 405 T CB 1.833 70.619 68.868 -0.136 0.000 1.289 405 T HN 1.638 nan 8.240 nan 0.000 0.514 406 W N 0.063 121.377 121.300 0.024 0.000 2.926 406 W HA 0.657 5.354 4.660 0.061 0.000 0.361 406 W C -1.040 175.515 176.519 0.061 0.000 1.195 406 W CA -1.015 56.358 57.345 0.045 0.000 1.177 406 W CB -0.164 29.314 29.460 0.031 0.000 1.453 406 W HN 0.909 nan 8.180 nan 0.000 0.571 407 H N 0.000 119.212 119.070 0.236 0.000 2.539 407 H HA 0.000 4.592 4.556 0.060 0.000 0.296 407 H CA 0.000 56.119 56.048 0.118 0.000 1.023 407 H CB 0.000 29.831 29.762 0.115 0.000 1.292 407 H HN 0.000 nan 8.280 nan 0.000 0.496