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 3kvn_1_A DATA FIRST_RESID -4 DATA SEQUENCE HHHLEAPSPY STLVVFGDSL SDAGQFPDPA GPAGSTSRFT NRVGPTYQNG DATA SEQUENCE SGEIFGPTAP MLLGNQLGIA PGDLAASTSP VNAQQGIADG NNWAVGGYRT DATA SEQUENCE DQIYDSITAA NGSLIERDNT LLRSRDGYLV DRARQGLGAD PNALYYITGG DATA SEQUENCE GNDFLQGRIL NDVQAQQAAG RLVDSVQALQ QAGARYIVVW LLPDLGLTPA DATA SEQUENCE TFGGPLQPFA SQLSGTFNAE LTAQLSQAGA NVIPLNIPLL LKEGMANPAS DATA SEQUENCE FGLAADQNLI GTcFSGNGcT MNPTYGINGS TPDPSKLLFN DSVHPTITGQ DATA SEQUENCE RLIADYTYSL LSAPWELTLL PEMAHGTLRA YQDELRSQWQ ADWENWQNVG DATA SEQUENCE QWRGFVGGGG QRLDFDSQDS AASGDGNGYN LTLGGSYRID EAWRAGVAAG DATA SEQUENCE FYRQKLEAGA KDSDYRMNSY MASAFVQYQE NRWWADAALT GGYLDYDDLK DATA SEQUENCE RKFALGGGER SEKGDTNGHL WAFSARLGYD IAQQADSPWH LSPFVSADYA DATA SEQUENCE RVEVDGYSEK GASATALDYD DQKRSSKRLG AGLQGKYAFG SDTQLFAEYA DATA SEQUENCE HEREYEDDTQ DLTMSLNSLP GNRFTLEGYT PQDHLNRVSL GFSQKLAPEL DATA SEQUENCE SLRGGYNWRK GEDDTQQSVS LALSLDF VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f -4 H HA 0.000 nan 4.556 nan 0.000 0.296 -4 H C 0.000 174.995 175.328 -0.556 0.000 0.993 -4 H CA 0.000 55.751 56.048 -0.495 0.000 1.023 -4 H CB 0.000 29.586 29.762 -0.293 0.000 1.292 -3 H N 3.716 122.299 119.070 -0.812 0.000 2.552 -3 H HA 0.217 4.769 4.556 -0.005 0.000 0.311 -3 H C 0.435 175.495 175.328 -0.445 0.000 1.071 -3 H CA -0.633 55.072 56.048 -0.572 0.000 1.307 -3 H CB 0.856 30.387 29.762 -0.385 0.000 1.416 -3 H HN 0.554 nan 8.280 nan 0.000 0.464 -2 H N 2.849 121.927 119.070 0.013 0.000 2.546 -2 H HA -0.039 4.513 4.556 -0.006 0.000 0.277 -2 H C 1.444 176.808 175.328 0.061 0.000 1.004 -2 H CA 0.695 56.782 56.048 0.065 0.000 1.231 -2 H CB 0.370 30.180 29.762 0.081 0.000 1.382 -2 H HN 0.628 nan 8.280 nan 0.000 0.580 -1 L N 0.135 121.431 121.223 0.122 0.000 2.446 -1 L HA 0.090 4.427 4.340 -0.005 0.000 0.219 -1 L C 0.461 177.376 176.870 0.076 0.000 1.116 -1 L CA 0.379 55.273 54.840 0.090 0.000 0.844 -1 L CB 0.024 42.113 42.059 0.050 0.000 0.970 -1 L HN 0.070 nan 8.230 nan 0.000 0.457 0 E N 0.998 121.225 120.200 0.045 0.000 2.249 0 E HA 0.467 4.813 4.350 -0.005 0.000 0.280 0 E C 0.088 176.782 176.600 0.156 0.000 1.016 0 E CA -0.505 55.927 56.400 0.053 0.000 0.830 0 E CB 1.544 31.219 29.700 -0.042 0.000 1.081 0 E HN 0.169 nan 8.360 nan 0.000 0.395 1 A N 4.394 127.298 122.820 0.140 0.000 2.455 1 A HA 0.185 4.502 4.320 -0.005 0.000 0.244 1 A C -2.106 175.501 177.584 0.038 0.000 1.099 1 A CA -0.843 51.274 52.037 0.133 0.000 0.786 1 A CB -0.453 18.662 19.000 0.191 0.000 1.051 1 A HN 0.381 nan 8.150 nan 0.000 0.508 2 P HA 0.224 nan 4.420 nan 0.000 0.271 2 P C -0.441 176.520 177.300 -0.565 0.000 1.233 2 P CA 0.211 62.864 63.100 -0.743 0.000 0.789 2 P CB 0.686 31.373 31.700 -1.688 0.000 0.951 3 S N -0.973 114.417 115.700 -0.517 0.000 2.592 3 S HA 0.309 4.776 4.470 -0.005 0.000 0.151 3 S C -2.525 171.886 174.600 -0.315 0.000 1.280 3 S CA -0.911 57.149 58.200 -0.234 0.000 1.187 3 S CB 0.593 63.775 63.200 -0.030 0.000 1.471 3 S HN 0.145 nan 8.310 nan 0.000 0.409 4 P HA 0.064 nan 4.420 nan 0.000 0.223 4 P C -0.526 176.345 177.300 -0.714 0.000 1.151 4 P CA 0.969 63.623 63.100 -0.743 0.000 0.787 4 P CB -0.128 30.861 31.700 -1.185 0.000 0.788 5 Y N -0.859 119.418 120.300 -0.038 0.000 2.360 5 Y HA 0.234 4.781 4.550 -0.005 0.000 0.337 5 Y C 1.969 177.873 175.900 0.007 0.000 1.039 5 Y CA -0.691 57.401 58.100 -0.013 0.000 1.109 5 Y CB 0.742 39.197 38.460 -0.009 0.000 1.201 5 Y HN -0.181 nan 8.280 nan 0.000 0.458 6 S N 0.133 115.933 115.700 0.166 0.000 2.382 6 S HA -0.045 4.422 4.470 -0.005 0.000 0.228 6 S C 0.756 175.410 174.600 0.091 0.000 1.027 6 S CA 1.445 59.708 58.200 0.105 0.000 0.991 6 S CB -0.101 63.164 63.200 0.109 0.000 0.823 6 S HN 0.767 nan 8.310 nan 0.000 0.469 7 T N -0.684 113.924 114.554 0.090 0.000 2.700 7 T HA 0.503 4.850 4.350 -0.005 0.000 0.307 7 T C -2.575 172.105 174.700 -0.033 0.000 1.580 7 T CA -0.708 61.411 62.100 0.032 0.000 0.992 7 T CB 1.063 69.942 68.868 0.018 0.000 1.577 7 T HN 0.315 nan 8.240 nan 0.000 0.496 8 L N 2.954 124.129 121.223 -0.080 0.000 2.319 8 L HA 0.814 5.151 4.340 -0.005 0.000 0.281 8 L C -1.257 175.484 176.870 -0.215 0.000 1.005 8 L CA -0.381 54.367 54.840 -0.154 0.000 0.828 8 L CB 1.140 43.131 42.059 -0.114 0.000 1.227 8 L HN 0.448 nan 8.230 nan 0.000 0.415 9 V N 5.860 125.551 119.914 -0.372 0.000 2.398 9 V HA 0.611 4.727 4.120 -0.005 0.000 0.286 9 V C -0.247 175.644 176.094 -0.338 0.000 1.026 9 V CA -0.649 61.398 62.300 -0.423 0.000 0.868 9 V CB 1.671 33.082 31.823 -0.687 0.000 0.982 9 V HN 0.526 nan 8.190 nan 0.000 0.443 10 V N 5.251 124.928 119.914 -0.395 0.000 2.555 10 V HA 0.650 4.766 4.120 -0.005 0.000 0.302 10 V C -0.769 175.007 176.094 -0.529 0.000 1.038 10 V CA -0.518 61.642 62.300 -0.234 0.000 0.887 10 V CB 1.760 33.496 31.823 -0.146 0.000 0.991 10 V HN 0.694 nan 8.190 nan 0.000 0.434 11 F N 1.468 121.514 119.950 0.160 0.000 2.603 11 F HA 0.975 5.499 4.527 -0.006 0.000 0.317 11 F C 0.732 176.612 175.800 0.133 0.000 1.066 11 F CA 0.286 58.375 58.000 0.148 0.000 0.941 11 F CB 2.383 41.436 39.000 0.088 0.000 1.291 11 F HN 0.863 nan 8.300 nan 0.000 0.472 12 G N 1.202 110.201 108.800 0.332 0.000 2.292 12 G HA2 0.294 4.251 3.960 -0.005 0.000 0.194 12 G HA3 0.294 4.251 3.960 -0.005 0.000 0.194 12 G C -1.953 173.029 174.900 0.136 0.000 1.329 12 G CA -0.181 45.036 45.100 0.195 0.000 1.100 12 G HN 0.758 nan 8.290 nan 0.000 0.470 13 D N -1.514 118.902 120.400 0.027 0.000 2.726 13 D HA 0.556 5.193 4.640 -0.005 0.000 0.241 13 D C 1.888 178.133 176.300 -0.093 0.000 1.150 13 D CA 0.997 54.986 54.000 -0.019 0.000 1.089 13 D CB 0.046 40.846 40.800 -0.000 0.000 1.260 13 D HN 1.010 nan 8.370 nan 0.000 0.637 14 S N -0.833 114.762 115.700 -0.174 0.000 2.440 14 S HA -0.145 4.322 4.470 -0.005 0.000 0.238 14 S C 2.031 176.592 174.600 -0.065 0.000 1.010 14 S CA 0.656 58.674 58.200 -0.303 0.000 0.972 14 S CB -0.938 61.778 63.200 -0.807 0.000 0.774 14 S HN 0.468 nan 8.310 nan 0.000 0.501 15 L N 0.955 122.148 121.223 -0.049 0.000 2.127 15 L HA -0.060 4.277 4.340 -0.005 0.000 0.211 15 L C 2.256 179.099 176.870 -0.045 0.000 1.089 15 L CA 1.372 56.172 54.840 -0.067 0.000 0.757 15 L CB -0.415 41.412 42.059 -0.387 0.000 0.899 15 L HN 0.386 nan 8.230 nan 0.000 0.434 16 S N -2.874 112.795 115.700 -0.052 0.000 2.549 16 S HA 0.034 4.501 4.470 -0.005 0.000 0.225 16 S C 0.393 174.980 174.600 -0.022 0.000 1.039 16 S CA -0.525 57.662 58.200 -0.021 0.000 0.942 16 S CB 0.181 63.392 63.200 0.018 0.000 0.881 16 S HN 0.304 nan 8.310 nan 0.000 0.503 17 D N 2.356 122.756 120.400 0.001 0.000 2.658 17 D HA 0.051 4.688 4.640 -0.005 0.000 0.230 17 D C 0.722 177.022 176.300 -0.001 0.000 1.118 17 D CA 0.329 54.338 54.000 0.014 0.000 0.848 17 D CB 0.820 41.694 40.800 0.124 0.000 1.160 17 D HN 0.265 nan 8.370 nan 0.000 0.497 18 A N 2.791 125.584 122.820 -0.044 0.000 2.303 18 A HA 0.457 4.774 4.320 -0.005 0.000 0.217 18 A C 1.120 178.676 177.584 -0.047 0.000 1.205 18 A CA 0.652 52.658 52.037 -0.052 0.000 0.875 18 A CB 0.328 19.281 19.000 -0.079 0.000 0.910 18 A HN 0.822 nan 8.150 nan 0.000 0.501 19 G N -0.435 108.337 108.800 -0.047 0.000 2.491 19 G HA2 -0.007 3.950 3.960 -0.005 0.000 0.232 19 G HA3 -0.007 3.950 3.960 -0.005 0.000 0.232 19 G C 0.280 175.136 174.900 -0.072 0.000 1.609 19 G CA 0.047 45.124 45.100 -0.039 0.000 0.880 19 G HN 0.059 nan 8.290 nan 0.000 0.515 20 Q N -0.286 119.451 119.800 -0.105 0.000 2.016 20 Q HA 0.096 4.433 4.340 -0.005 0.000 0.200 20 Q C 0.911 176.745 176.000 -0.276 0.000 0.978 20 Q CA 1.002 56.649 55.803 -0.261 0.000 0.833 20 Q CB 0.035 28.517 28.738 -0.426 0.000 0.895 20 Q HN 0.579 nan 8.270 nan 0.000 0.427 21 F N 1.533 121.468 119.950 -0.024 0.000 2.389 21 F HA 0.210 4.733 4.527 -0.005 0.000 0.337 21 F C -1.689 174.101 175.800 -0.016 0.000 1.112 21 F CA -2.475 55.519 58.000 -0.009 0.000 1.192 21 F CB -0.220 38.789 39.000 0.014 0.000 1.185 21 F HN -0.054 nan 8.300 nan 0.000 0.552 22 P HA -0.067 nan 4.420 nan 0.000 0.267 22 P C -0.830 176.545 177.300 0.125 0.000 1.201 22 P CA 0.067 63.239 63.100 0.119 0.000 0.775 22 P CB 0.463 32.226 31.700 0.104 0.000 0.854 23 D N 2.639 123.098 120.400 0.098 0.000 2.485 23 D HA 0.197 4.833 4.640 -0.005 0.000 0.221 23 D C -1.702 174.635 176.300 0.062 0.000 1.112 23 D CA -2.412 51.660 54.000 0.120 0.000 0.911 23 D CB 0.174 41.058 40.800 0.140 0.000 1.019 23 D HN 0.047 nan 8.370 nan 0.000 0.516 24 P HA -0.100 nan 4.420 nan 0.000 0.216 24 P C 0.690 177.997 177.300 0.012 0.000 1.150 24 P CA 1.027 64.148 63.100 0.035 0.000 0.843 24 P CB 0.254 31.976 31.700 0.037 0.000 0.787 25 A N -1.112 121.711 122.820 0.005 0.000 2.337 25 A HA 0.458 4.775 4.320 -0.005 0.000 0.227 25 A C 1.138 178.671 177.584 -0.084 0.000 1.259 25 A CA 0.307 52.325 52.037 -0.032 0.000 0.870 25 A CB -0.781 18.203 19.000 -0.026 0.000 0.927 25 A HN 0.269 nan 8.150 nan 0.000 0.497 26 G N -0.328 108.422 108.800 -0.084 0.000 2.667 26 G HA2 0.570 4.527 3.960 -0.005 0.000 0.310 26 G HA3 0.570 4.527 3.960 -0.005 0.000 0.310 26 G C -2.924 171.935 174.900 -0.068 0.000 1.259 26 G CA -1.795 43.235 45.100 -0.117 0.000 1.019 26 G HN 0.075 nan 8.290 nan 0.000 0.496 27 P HA 0.276 nan 4.420 nan 0.000 0.271 27 P C 0.105 177.387 177.300 -0.031 0.000 1.233 27 P CA -0.094 62.978 63.100 -0.047 0.000 0.795 27 P CB 0.310 31.980 31.700 -0.049 0.000 0.936 28 A N 0.937 123.743 122.820 -0.024 0.000 2.511 28 A HA 0.426 4.743 4.320 -0.005 0.000 0.242 28 A C 1.494 179.069 177.584 -0.015 0.000 1.069 28 A CA 0.671 52.698 52.037 -0.015 0.000 0.763 28 A CB -1.419 17.573 19.000 -0.014 0.000 1.001 28 A HN 0.892 nan 8.150 nan 0.000 0.498 29 G N 1.701 110.496 108.800 -0.010 0.000 2.179 29 G HA2 -0.231 3.726 3.960 -0.005 0.000 0.260 29 G HA3 -0.231 3.726 3.960 -0.005 0.000 0.260 29 G C 0.651 175.547 174.900 -0.007 0.000 0.977 29 G CA 0.485 45.579 45.100 -0.010 0.000 0.641 29 G HN 1.137 nan 8.290 nan 0.000 0.533 30 S N -0.153 115.544 115.700 -0.006 0.000 2.576 30 S HA 0.572 5.038 4.470 -0.005 0.000 0.272 30 S C 0.394 175.011 174.600 0.028 0.000 1.352 30 S CA 1.062 59.263 58.200 0.003 0.000 1.021 30 S CB 1.442 64.634 63.200 -0.014 0.000 0.887 30 S HN 0.592 nan 8.310 nan 0.000 0.542 31 T N 1.385 115.972 114.554 0.055 0.000 2.900 31 T HA 0.421 4.767 4.350 -0.005 0.000 0.303 31 T C -0.980 173.793 174.700 0.122 0.000 1.142 31 T CA -0.516 61.622 62.100 0.062 0.000 1.007 31 T CB 1.219 70.097 68.868 0.016 0.000 1.156 31 T HN 0.442 nan 8.240 nan 0.000 0.490 32 S N 2.636 118.377 115.700 0.069 0.000 2.475 32 S HA 0.595 5.062 4.470 -0.005 0.000 0.281 32 S C -0.202 174.184 174.600 -0.357 0.000 1.198 32 S CA -0.656 57.483 58.200 -0.101 0.000 1.063 32 S CB 0.597 63.647 63.200 -0.250 0.000 0.972 32 S HN 0.478 nan 8.310 nan 0.000 0.486 33 R N 1.121 121.238 120.500 -0.638 0.000 2.750 33 R HA 0.412 4.749 4.340 -0.005 0.000 0.281 33 R C -1.319 174.364 176.300 -1.027 0.000 0.972 33 R CA -0.625 55.148 56.100 -0.546 0.000 0.912 33 R CB 1.192 31.391 30.300 -0.168 0.000 1.187 33 R HN 0.504 nan 8.270 nan 0.000 0.464 34 F N 1.276 120.927 119.950 -0.499 0.000 2.541 34 F HA 0.307 4.831 4.527 -0.005 0.000 0.351 34 F C 0.703 176.303 175.800 -0.334 0.000 1.209 34 F CA 0.093 57.727 58.000 -0.610 0.000 1.277 34 F CB 0.828 39.238 39.000 -0.985 0.000 1.632 34 F HN 0.347 nan 8.300 nan 0.000 0.619 35 T N 0.540 115.007 114.554 -0.146 0.000 2.677 35 T HA 0.203 4.549 4.350 -0.005 0.000 0.305 35 T C -1.056 173.755 174.700 0.185 0.000 1.569 35 T CA -1.093 61.046 62.100 0.065 0.000 0.984 35 T CB 0.793 69.699 68.868 0.063 0.000 1.629 35 T HN 0.410 nan 8.240 nan 0.000 0.494 36 N N 1.586 120.404 118.700 0.198 0.000 2.415 36 N HA 0.215 4.951 4.740 -0.005 0.000 0.248 36 N C -0.135 175.585 175.510 0.351 0.000 1.271 36 N CA -0.356 52.862 53.050 0.280 0.000 0.913 36 N CB 0.588 39.066 38.487 -0.015 0.000 1.129 36 N HN 0.558 nan 8.380 nan 0.000 0.444 37 R N -0.348 120.376 120.500 0.374 0.000 2.649 37 R HA 0.091 4.428 4.340 -0.005 0.000 0.270 37 R C 1.655 178.109 176.300 0.258 0.000 1.105 37 R CA -0.474 55.751 56.100 0.208 0.000 1.193 37 R CB 0.568 30.882 30.300 0.024 0.000 1.120 37 R HN 0.620 nan 8.270 nan 0.000 0.561 38 V N -1.155 118.817 119.914 0.096 0.000 2.809 38 V HA 0.155 4.271 4.120 -0.005 0.000 0.256 38 V C 0.954 177.031 176.094 -0.028 0.000 1.080 38 V CA 1.147 63.488 62.300 0.068 0.000 1.102 38 V CB -1.294 30.533 31.823 0.006 0.000 0.705 38 V HN 1.067 nan 8.190 nan 0.000 0.475 39 G N 0.443 109.068 108.800 -0.292 0.000 2.631 39 G HA2 -0.099 3.858 3.960 -0.005 0.000 0.504 39 G HA3 -0.099 3.858 3.960 -0.005 0.000 0.504 39 G C -1.510 173.154 174.900 -0.393 0.000 1.306 39 G CA -0.147 44.456 45.100 -0.830 0.000 0.897 39 G HN 0.320 nan 8.290 nan 0.000 0.520 40 P HA -0.027 nan 4.420 nan 0.000 0.225 40 P C 1.783 178.774 177.300 -0.516 0.000 1.156 40 P CA 2.634 65.486 63.100 -0.413 0.000 0.787 40 P CB -0.106 31.490 31.700 -0.174 0.000 0.802 41 T N -5.178 109.159 114.554 -0.362 0.000 3.035 41 T HA -0.086 4.261 4.350 -0.005 0.000 0.259 41 T C 0.917 175.620 174.700 0.006 0.000 1.078 41 T CA 0.407 62.424 62.100 -0.138 0.000 1.132 41 T CB -1.043 67.792 68.868 -0.055 0.000 0.900 41 T HN -0.027 nan 8.240 nan 0.000 0.480 42 Y N 0.324 120.678 120.300 0.091 0.000 4.916 42 Y HA -0.195 4.352 4.550 -0.005 0.000 0.247 42 Y C 0.558 176.502 175.900 0.073 0.000 0.962 42 Y CA 0.261 58.448 58.100 0.146 0.000 1.933 42 Y CB -2.351 36.347 38.460 0.397 0.000 1.451 42 Y HN 0.339 nan 8.280 nan 0.000 0.539 43 Q N 1.902 121.767 119.800 0.108 0.000 2.327 43 Q HA 0.183 4.520 4.340 -0.005 0.000 0.254 43 Q C 0.371 176.364 176.000 -0.012 0.000 0.952 43 Q CA -0.297 55.534 55.803 0.047 0.000 0.884 43 Q CB 0.466 29.215 28.738 0.018 0.000 1.224 43 Q HN 0.264 nan 8.270 nan 0.000 0.422 44 N N 0.387 119.079 118.700 -0.013 0.000 2.454 44 N HA 0.063 4.800 4.740 -0.005 0.000 0.254 44 N C 1.051 176.533 175.510 -0.047 0.000 1.228 44 N CA 1.194 54.214 53.050 -0.050 0.000 0.900 44 N CB 0.493 38.975 38.487 -0.010 0.000 1.089 44 N HN 0.842 nan 8.380 nan 0.000 0.449 45 G N 0.128 108.888 108.800 -0.067 0.000 2.184 45 G HA2 -0.349 3.607 3.960 -0.005 0.000 0.264 45 G HA3 -0.349 3.607 3.960 -0.005 0.000 0.264 45 G C 0.896 175.764 174.900 -0.053 0.000 0.975 45 G CA 0.880 45.949 45.100 -0.051 0.000 0.642 45 G HN 0.699 nan 8.290 nan 0.000 0.536 46 S N -0.467 115.193 115.700 -0.066 0.000 2.562 46 S HA 0.395 4.862 4.470 -0.005 0.000 0.221 46 S C 2.259 176.816 174.600 -0.072 0.000 0.975 46 S CA 1.357 59.519 58.200 -0.063 0.000 0.918 46 S CB 0.142 63.302 63.200 -0.068 0.000 0.772 46 S HN 2.363 nan 8.310 nan 0.000 0.531 47 G N 0.606 109.357 108.800 -0.082 0.000 2.176 47 G HA2 -0.238 3.718 3.960 -0.005 0.000 0.253 47 G HA3 -0.238 3.718 3.960 -0.005 0.000 0.253 47 G C -0.318 174.523 174.900 -0.097 0.000 0.979 47 G CA 0.138 45.191 45.100 -0.080 0.000 0.641 47 G HN 0.624 nan 8.290 nan 0.000 0.530 48 E N 0.597 120.723 120.200 -0.124 0.000 2.197 48 E HA 0.558 4.904 4.350 -0.005 0.000 0.281 48 E C 1.177 177.665 176.600 -0.187 0.000 0.995 48 E CA -0.507 55.812 56.400 -0.136 0.000 0.808 48 E CB 1.415 31.031 29.700 -0.140 0.000 1.093 48 E HN 0.650 nan 8.360 nan 0.000 0.394 49 I N -1.268 119.216 120.570 -0.143 0.000 2.945 49 I HA 0.289 4.455 4.170 -0.005 0.000 0.292 49 I C -0.247 175.773 176.117 -0.162 0.000 1.093 49 I CA -0.720 60.485 61.300 -0.157 0.000 1.336 49 I CB 0.434 38.401 38.000 -0.055 0.000 1.435 49 I HN 0.266 nan 8.210 nan 0.000 0.593 50 F N 2.122 122.058 119.950 -0.023 0.000 2.518 50 F HA 0.409 4.933 4.527 -0.005 0.000 0.359 50 F C 1.432 177.224 175.800 -0.013 0.000 1.118 50 F CA 0.451 58.438 58.000 -0.021 0.000 1.287 50 F CB 0.506 39.462 39.000 -0.074 0.000 1.132 50 F HN 0.664 nan 8.300 nan 0.000 0.587 51 G N 2.351 111.284 108.800 0.220 0.000 2.570 51 G HA2 0.421 4.378 3.960 -0.005 0.000 0.276 51 G HA3 0.421 4.378 3.960 -0.005 0.000 0.276 51 G C -2.693 172.257 174.900 0.084 0.000 1.346 51 G CA -1.037 44.132 45.100 0.116 0.000 1.034 51 G HN 0.396 nan 8.290 nan 0.000 0.512 52 P HA 0.322 nan 4.420 nan 0.000 0.282 52 P C -0.309 177.003 177.300 0.021 0.000 1.259 52 P CA -0.337 62.776 63.100 0.022 0.000 0.826 52 P CB 1.577 33.281 31.700 0.007 0.000 1.064 53 T N -0.432 114.126 114.554 0.007 0.000 2.952 53 T HA 0.502 4.849 4.350 -0.005 0.000 0.286 53 T C 1.481 176.186 174.700 0.007 0.000 1.024 53 T CA -0.034 62.077 62.100 0.018 0.000 1.029 53 T CB 0.551 69.427 68.868 0.013 0.000 1.094 53 T HN 0.311 nan 8.240 nan 0.000 0.515 54 A N 3.527 126.378 122.820 0.051 0.000 1.903 54 A HA -0.014 4.303 4.320 -0.005 0.000 0.219 54 A C -0.553 176.997 177.584 -0.057 0.000 1.191 54 A CA 1.897 53.971 52.037 0.061 0.000 0.638 54 A CB -1.891 17.241 19.000 0.220 0.000 0.823 54 A HN 0.727 nan 8.150 nan 0.000 0.451 55 P HA -0.134 nan 4.420 nan 0.000 0.217 55 P C 1.584 178.761 177.300 -0.206 0.000 1.150 55 P CA 1.413 64.273 63.100 -0.401 0.000 0.832 55 P CB -0.202 31.198 31.700 -0.500 0.000 0.787 56 M N -1.735 117.790 119.600 -0.126 0.000 2.132 56 M HA -0.113 4.363 4.480 -0.005 0.000 0.263 56 M C 2.093 178.361 176.300 -0.053 0.000 1.065 56 M CA 1.691 56.944 55.300 -0.079 0.000 1.122 56 M CB -0.918 31.649 32.600 -0.054 0.000 1.365 56 M HN -0.104 nan 8.290 nan 0.000 0.411 57 L N -0.289 120.908 121.223 -0.042 0.000 2.027 57 L HA -0.202 4.135 4.340 -0.005 0.000 0.206 57 L C 2.519 179.374 176.870 -0.025 0.000 1.074 57 L CA 0.711 55.534 54.840 -0.028 0.000 0.745 57 L CB -0.647 41.401 42.059 -0.018 0.000 0.898 57 L HN 0.294 nan 8.230 nan 0.000 0.433 58 L N 0.218 121.429 121.223 -0.020 0.000 2.017 58 L HA -0.091 4.245 4.340 -0.005 0.000 0.208 58 L C 2.350 179.247 176.870 0.045 0.000 1.073 58 L CA 2.232 57.088 54.840 0.026 0.000 0.745 58 L CB -1.132 40.938 42.059 0.020 0.000 0.894 58 L HN 0.140 nan 8.230 nan 0.000 0.432 59 G N -1.060 107.735 108.800 -0.009 0.000 2.422 59 G HA2 -0.362 3.595 3.960 -0.005 0.000 0.218 59 G HA3 -0.362 3.595 3.960 -0.005 0.000 0.218 59 G C 1.473 176.395 174.900 0.036 0.000 1.146 59 G CA 0.958 46.064 45.100 0.010 0.000 0.769 59 G HN 0.505 nan 8.290 nan 0.000 0.547 60 N N 0.174 118.880 118.700 0.011 0.000 2.069 60 N HA -0.103 4.633 4.740 -0.005 0.000 0.191 60 N C 2.393 177.919 175.510 0.027 0.000 1.031 60 N CA 1.422 54.479 53.050 0.012 0.000 0.852 60 N CB -0.174 38.308 38.487 -0.009 0.000 1.018 60 N HN 0.418 nan 8.380 nan 0.000 0.423 61 Q N -0.340 119.467 119.800 0.012 0.000 2.135 61 Q HA -0.102 4.234 4.340 -0.005 0.000 0.204 61 Q C 1.418 177.521 176.000 0.172 0.000 0.981 61 Q CA 0.929 56.721 55.803 -0.018 0.000 0.856 61 Q CB -0.103 28.497 28.738 -0.229 0.000 0.902 61 Q HN 0.457 nan 8.270 nan 0.000 0.425 62 L N -0.498 120.872 121.223 0.244 0.000 2.627 62 L HA 0.107 4.444 4.340 -0.005 0.000 0.233 62 L C 0.991 177.968 176.870 0.178 0.000 1.144 62 L CA 0.287 55.311 54.840 0.308 0.000 0.892 62 L CB -0.166 42.089 42.059 0.326 0.000 1.039 62 L HN 0.412 nan 8.230 nan 0.000 0.442 63 G N 0.510 109.383 108.800 0.121 0.000 2.160 63 G HA2 -0.256 3.701 3.960 -0.005 0.000 0.251 63 G HA3 -0.256 3.701 3.960 -0.005 0.000 0.251 63 G C 0.302 175.242 174.900 0.068 0.000 1.008 63 G CA -0.314 44.836 45.100 0.082 0.000 0.724 63 G HN 0.168 nan 8.290 nan 0.000 0.514 64 I N 1.291 121.902 120.570 0.068 0.000 2.648 64 I HA 0.410 4.577 4.170 -0.005 0.000 0.284 64 I C 1.446 177.579 176.117 0.028 0.000 1.153 64 I CA -0.315 61.014 61.300 0.049 0.000 1.426 64 I CB 0.141 38.162 38.000 0.036 0.000 1.381 64 I HN 0.505 nan 8.210 nan 0.000 0.571 65 A N 8.861 131.695 122.820 0.024 0.000 2.566 65 A HA 0.152 4.469 4.320 -0.005 0.000 0.245 65 A C -1.254 176.331 177.584 0.002 0.000 1.056 65 A CA -0.575 51.471 52.037 0.014 0.000 0.757 65 A CB -0.571 18.438 19.000 0.015 0.000 0.979 65 A HN 0.609 nan 8.150 nan 0.000 0.508 66 P HA -0.147 nan 4.420 nan 0.000 0.215 66 P C 1.726 179.014 177.300 -0.020 0.000 1.153 66 P CA 1.881 64.974 63.100 -0.012 0.000 0.853 66 P CB 0.054 31.747 31.700 -0.012 0.000 0.788 67 G N -0.300 108.491 108.800 -0.016 0.000 2.479 67 G HA2 -0.245 3.712 3.960 -0.005 0.000 0.220 67 G HA3 -0.245 3.712 3.960 -0.005 0.000 0.220 67 G C 1.061 175.944 174.900 -0.027 0.000 1.115 67 G CA 0.833 45.920 45.100 -0.022 0.000 0.757 67 G HN 0.202 nan 8.290 nan 0.000 0.560 68 D N 0.141 120.529 120.400 -0.020 0.000 2.277 68 D HA 0.023 4.660 4.640 -0.005 0.000 0.208 68 D C 2.389 178.662 176.300 -0.046 0.000 0.962 68 D CA 0.225 54.213 54.000 -0.021 0.000 0.865 68 D CB -0.012 40.784 40.800 -0.006 0.000 0.939 68 D HN 0.324 nan 8.370 nan 0.000 0.510 69 L N 0.118 121.310 121.223 -0.050 0.000 2.554 69 L HA 0.195 4.531 4.340 -0.005 0.000 0.226 69 L C 1.164 177.986 176.870 -0.080 0.000 1.137 69 L CA -0.277 54.522 54.840 -0.069 0.000 0.863 69 L CB -0.271 41.754 42.059 -0.057 0.000 0.985 69 L HN -0.102 nan 8.230 nan 0.000 0.451 70 A N 0.508 123.280 122.820 -0.079 0.000 2.313 70 A HA 0.635 4.951 4.320 -0.005 0.000 0.261 70 A C 0.631 178.134 177.584 -0.135 0.000 1.090 70 A CA -0.048 51.934 52.037 -0.092 0.000 0.807 70 A CB 0.331 19.282 19.000 -0.082 0.000 1.055 70 A HN 0.198 nan 8.150 nan 0.000 0.492 71 A N 0.084 122.815 122.820 -0.149 0.000 2.429 71 A HA 0.402 4.719 4.320 -0.005 0.000 0.242 71 A C 1.469 178.870 177.584 -0.305 0.000 1.088 71 A CA 0.461 52.371 52.037 -0.211 0.000 0.784 71 A CB -0.195 18.692 19.000 -0.188 0.000 1.038 71 A HN 1.809 nan 8.150 nan 0.000 0.501 72 S N -0.744 114.669 115.700 -0.477 0.000 2.486 72 S HA 0.055 4.522 4.470 -0.005 0.000 0.220 72 S C 0.713 174.976 174.600 -0.561 0.000 1.011 72 S CA 1.067 58.820 58.200 -0.744 0.000 0.921 72 S CB 0.083 62.273 63.200 -1.685 0.000 0.785 72 S HN 0.779 nan 8.310 nan 0.000 0.517 73 T N 1.054 115.364 114.554 -0.407 0.000 3.541 73 T HA 0.342 4.689 4.350 -0.005 0.000 0.309 73 T C -0.106 174.457 174.700 -0.229 0.000 0.973 73 T CA -0.366 61.558 62.100 -0.293 0.000 0.993 73 T CB 0.551 69.268 68.868 -0.252 0.000 1.206 73 T HN 0.287 nan 8.240 nan 0.000 0.489 74 S N 2.818 118.390 115.700 -0.213 0.000 2.531 74 S HA 0.216 4.683 4.470 -0.005 0.000 0.279 74 S C -1.464 173.064 174.600 -0.120 0.000 1.305 74 S CA -1.319 56.779 58.200 -0.172 0.000 1.058 74 S CB 0.948 64.067 63.200 -0.136 0.000 0.899 74 S HN 0.033 nan 8.310 nan 0.000 0.493 75 P HA -0.031 nan 4.420 nan 0.000 0.219 75 P C 1.423 178.699 177.300 -0.040 0.000 1.150 75 P CA 0.491 63.557 63.100 -0.056 0.000 0.814 75 P CB -0.011 31.669 31.700 -0.034 0.000 0.787 76 V N 0.484 120.375 119.914 -0.038 0.000 2.295 76 V HA -0.245 3.871 4.120 -0.005 0.000 0.246 76 V C 2.170 178.244 176.094 -0.033 0.000 1.049 76 V CA 2.026 64.311 62.300 -0.025 0.000 1.024 76 V CB -1.393 30.421 31.823 -0.015 0.000 0.648 76 V HN 0.101 nan 8.190 nan 0.000 0.447 77 N N 0.746 119.416 118.700 -0.049 0.000 2.104 77 N HA -0.171 4.566 4.740 -0.005 0.000 0.190 77 N C 1.916 177.399 175.510 -0.045 0.000 1.024 77 N CA 1.823 54.842 53.050 -0.052 0.000 0.853 77 N CB -0.695 37.749 38.487 -0.072 0.000 1.008 77 N HN 0.504 nan 8.380 nan 0.000 0.424 78 A N 1.498 124.289 122.820 -0.048 0.000 1.849 78 A HA -0.250 4.067 4.320 -0.005 0.000 0.217 78 A C 2.155 179.724 177.584 -0.026 0.000 1.202 78 A CA 1.909 53.923 52.037 -0.038 0.000 0.629 78 A CB -0.987 17.991 19.000 -0.037 0.000 0.834 78 A HN 0.408 nan 8.150 nan 0.000 0.447 79 Q N -1.072 118.715 119.800 -0.022 0.000 2.197 79 Q HA -0.208 4.129 4.340 -0.005 0.000 0.207 79 Q C 1.988 177.979 176.000 -0.015 0.000 0.984 79 Q CA 1.489 57.283 55.803 -0.015 0.000 0.869 79 Q CB -0.162 28.570 28.738 -0.011 0.000 0.906 79 Q HN 0.614 nan 8.270 nan 0.000 0.426 80 Q N -0.931 118.857 119.800 -0.019 0.000 2.451 80 Q HA 0.058 4.395 4.340 -0.005 0.000 0.206 80 Q C 0.877 176.866 176.000 -0.019 0.000 0.947 80 Q CA 0.869 56.660 55.803 -0.019 0.000 0.937 80 Q CB 0.721 29.447 28.738 -0.021 0.000 1.025 80 Q HN 0.543 nan 8.270 nan 0.000 0.511 81 G N 1.681 110.469 108.800 -0.020 0.000 2.225 81 G HA2 -0.253 3.704 3.960 -0.005 0.000 0.264 81 G HA3 -0.253 3.704 3.960 -0.005 0.000 0.264 81 G C -0.043 174.844 174.900 -0.023 0.000 1.060 81 G CA 0.110 45.199 45.100 -0.019 0.000 0.833 81 G HN 0.309 nan 8.290 nan 0.000 0.498 82 I N 0.618 121.171 120.570 -0.029 0.000 2.378 82 I HA 0.613 4.779 4.170 -0.005 0.000 0.291 82 I C 0.888 176.980 176.117 -0.041 0.000 0.992 82 I CA -0.825 60.456 61.300 -0.033 0.000 1.154 82 I CB 1.839 39.818 38.000 -0.036 0.000 1.315 82 I HN 0.297 nan 8.210 nan 0.000 0.448 83 A N 5.124 127.922 122.820 -0.037 0.000 2.498 83 A HA 0.142 4.459 4.320 -0.005 0.000 0.239 83 A C -0.133 177.414 177.584 -0.061 0.000 1.068 83 A CA -0.345 51.668 52.037 -0.040 0.000 0.766 83 A CB -0.005 18.979 19.000 -0.027 0.000 1.003 83 A HN 0.688 nan 8.150 nan 0.000 0.497 84 D N 1.017 121.370 120.400 -0.078 0.000 2.443 84 D HA 0.367 5.004 4.640 -0.005 0.000 0.239 84 D C 0.840 177.075 176.300 -0.109 0.000 1.136 84 D CA 1.119 55.044 54.000 -0.126 0.000 0.879 84 D CB 1.007 41.707 40.800 -0.167 0.000 1.195 84 D HN 0.657 nan 8.370 nan 0.000 0.443 85 G N 0.550 109.263 108.800 -0.144 0.000 2.702 85 G HA2 0.108 4.065 3.960 -0.005 0.000 0.254 85 G HA3 0.108 4.065 3.960 -0.005 0.000 0.254 85 G C 0.574 175.402 174.900 -0.120 0.000 1.380 85 G CA -0.418 44.619 45.100 -0.106 0.000 1.042 85 G HN 0.318 nan 8.290 nan 0.000 0.557 86 N N 0.280 118.945 118.700 -0.058 0.000 2.235 86 N HA 0.060 4.797 4.740 -0.005 0.000 0.209 86 N C -0.064 175.447 175.510 0.002 0.000 1.122 86 N CA -0.190 52.890 53.050 0.050 0.000 0.845 86 N CB 0.354 38.873 38.487 0.052 0.000 1.004 86 N HN 0.332 nan 8.380 nan 0.000 0.499 87 N N 0.305 118.925 118.700 -0.133 0.000 2.500 87 N HA 0.035 4.772 4.740 -0.005 0.000 0.236 87 N C -0.189 175.221 175.510 -0.167 0.000 1.022 87 N CA -0.308 52.660 53.050 -0.137 0.000 0.935 87 N CB 0.221 38.623 38.487 -0.141 0.000 1.147 87 N HN 0.064 nan 8.380 nan 0.000 0.512 88 W N 2.325 123.424 121.300 -0.335 0.000 3.290 88 W HA 0.412 5.069 4.660 -0.005 0.000 0.287 88 W C 1.036 177.503 176.519 -0.086 0.000 1.288 88 W CA -0.456 56.781 57.345 -0.181 0.000 1.725 88 W CB -0.340 29.028 29.460 -0.153 0.000 1.103 88 W HN 0.491 nan 8.180 nan 0.000 0.670 89 A N 0.901 123.754 122.820 0.055 0.000 2.498 89 A HA 0.427 4.743 4.320 -0.005 0.000 0.239 89 A C -0.288 177.212 177.584 -0.141 0.000 1.068 89 A CA 0.178 52.226 52.037 0.019 0.000 0.766 89 A CB 0.286 19.291 19.000 0.008 0.000 1.003 89 A HN -0.030 nan 8.150 nan 0.000 0.497 90 V N 2.220 121.929 119.914 -0.342 0.000 2.577 90 V HA 0.522 4.639 4.120 -0.005 0.000 0.303 90 V C 0.908 176.827 176.094 -0.292 0.000 1.042 90 V CA -0.334 61.661 62.300 -0.508 0.000 0.872 90 V CB 1.459 32.521 31.823 -1.270 0.000 0.998 90 V HN 1.293 nan 8.190 nan 0.000 0.423 91 G N 2.340 111.125 108.800 -0.025 0.000 2.225 91 G HA2 0.412 4.368 3.960 -0.005 0.000 0.245 91 G HA3 0.412 4.368 3.960 -0.005 0.000 0.245 91 G C 1.139 176.009 174.900 -0.051 0.000 1.249 91 G CA 0.959 45.944 45.100 -0.191 0.000 0.919 91 G HN 1.938 nan 8.290 nan 0.000 0.486 92 G N 1.518 110.265 108.800 -0.088 0.000 2.254 92 G HA2 -0.262 3.694 3.960 -0.005 0.000 0.225 92 G HA3 -0.262 3.694 3.960 -0.005 0.000 0.225 92 G C 0.413 175.450 174.900 0.228 0.000 1.003 92 G CA 0.103 45.242 45.100 0.065 0.000 0.622 92 G HN 0.708 nan 8.290 nan 0.000 0.507 93 Y N 2.841 123.173 120.300 0.053 0.000 2.620 93 Y HA 0.459 5.006 4.550 -0.006 0.000 0.330 93 Y C 1.629 177.563 175.900 0.056 0.000 1.186 93 Y CA -0.379 57.765 58.100 0.073 0.000 1.467 93 Y CB 0.280 38.799 38.460 0.099 0.000 1.262 93 Y HN 0.277 nan 8.280 nan 0.000 0.550 94 R N 0.519 121.109 120.500 0.149 0.000 2.541 94 R HA 0.164 4.500 4.340 -0.005 0.000 0.263 94 R C 1.563 177.919 176.300 0.093 0.000 1.112 94 R CA 0.256 56.413 56.100 0.095 0.000 1.170 94 R CB 0.407 30.734 30.300 0.046 0.000 1.167 94 R HN 0.757 nan 8.270 nan 0.000 0.582 95 T N -1.529 113.083 114.554 0.097 0.000 2.699 95 T HA -0.231 4.116 4.350 -0.005 0.000 0.268 95 T C 1.375 176.119 174.700 0.073 0.000 1.036 95 T CA 1.875 64.038 62.100 0.104 0.000 1.147 95 T CB -0.434 68.499 68.868 0.109 0.000 0.862 95 T HN 0.749 nan 8.240 nan 0.000 0.446 96 D N 1.140 121.557 120.400 0.029 0.000 2.178 96 D HA -0.168 4.469 4.640 -0.005 0.000 0.202 96 D C 2.103 178.409 176.300 0.010 0.000 0.974 96 D CA 0.956 54.967 54.000 0.019 0.000 0.841 96 D CB -0.472 40.319 40.800 -0.015 0.000 0.953 96 D HN 0.513 nan 8.370 nan 0.000 0.478 97 Q N 0.199 119.941 119.800 -0.097 0.000 2.123 97 Q HA 0.053 4.389 4.340 -0.005 0.000 0.199 97 Q C 2.618 178.453 176.000 -0.275 0.000 0.966 97 Q CA 0.610 56.208 55.803 -0.343 0.000 0.845 97 Q CB 0.069 28.377 28.738 -0.717 0.000 0.907 97 Q HN 0.341 nan 8.270 nan 0.000 0.439 98 I N -0.229 120.335 120.570 -0.010 0.000 2.163 98 I HA -0.320 3.846 4.170 -0.005 0.000 0.243 98 I C 2.196 178.359 176.117 0.077 0.000 1.085 98 I CA 1.341 62.751 61.300 0.183 0.000 1.347 98 I CB -0.337 37.797 38.000 0.224 0.000 1.044 98 I HN 0.233 nan 8.210 nan 0.000 0.408 99 Y N 2.142 122.407 120.300 -0.057 0.000 2.128 99 Y HA -0.335 4.211 4.550 -0.006 0.000 0.284 99 Y C 2.212 178.049 175.900 -0.105 0.000 1.154 99 Y CA 1.962 60.000 58.100 -0.103 0.000 1.149 99 Y CB -0.365 38.046 38.460 -0.082 0.000 0.976 99 Y HN 0.220 nan 8.280 nan 0.000 0.505 100 D N -0.680 119.692 120.400 -0.047 0.000 2.144 100 D HA -0.176 4.461 4.640 -0.005 0.000 0.199 100 D C 2.415 178.654 176.300 -0.102 0.000 0.984 100 D CA 1.679 55.618 54.000 -0.102 0.000 0.834 100 D CB -0.624 40.156 40.800 -0.032 0.000 0.955 100 D HN 0.501 nan 8.370 nan 0.000 0.465 101 S N -0.361 115.333 115.700 -0.010 0.000 2.474 101 S HA -0.042 4.424 4.470 -0.005 0.000 0.235 101 S C 1.987 176.585 174.600 -0.004 0.000 0.997 101 S CA 0.375 58.684 58.200 0.182 0.000 0.949 101 S CB -0.308 63.196 63.200 0.506 0.000 0.766 101 S HN 0.258 nan 8.310 nan 0.000 0.517 102 I N 1.598 121.982 120.570 -0.311 0.000 2.810 102 I HA -0.011 4.156 4.170 -0.005 0.000 0.262 102 I C 2.713 178.590 176.117 -0.399 0.000 1.131 102 I CA 1.348 62.318 61.300 -0.550 0.000 1.453 102 I CB -0.139 37.348 38.000 -0.856 0.000 1.161 102 I HN 0.519 nan 8.210 nan 0.000 0.444 103 T N -1.910 112.365 114.554 -0.464 0.000 3.000 103 T HA 0.419 4.766 4.350 -0.005 0.000 0.248 103 T C 0.744 175.308 174.700 -0.226 0.000 1.034 103 T CA 0.004 61.861 62.100 -0.406 0.000 1.060 103 T CB 0.065 68.525 68.868 -0.682 0.000 0.983 103 T HN 0.111 nan 8.240 nan 0.000 0.482 104 A N 1.355 124.071 122.820 -0.174 0.000 2.295 104 A HA 0.860 5.177 4.320 -0.005 0.000 0.318 104 A C 0.513 178.088 177.584 -0.014 0.000 1.134 104 A CA -0.500 51.495 52.037 -0.069 0.000 0.827 104 A CB 0.427 19.405 19.000 -0.037 0.000 1.136 104 A HN 0.759 nan 8.150 nan 0.000 0.493 105 A N 1.839 124.660 122.820 0.002 0.000 2.511 105 A HA 0.387 4.704 4.320 -0.005 0.000 0.242 105 A C 0.694 178.304 177.584 0.044 0.000 1.069 105 A CA 0.053 52.104 52.037 0.024 0.000 0.763 105 A CB -0.436 18.575 19.000 0.018 0.000 1.001 105 A HN 1.178 nan 8.150 nan 0.000 0.498 106 N N 0.947 119.687 118.700 0.066 0.000 2.701 106 N HA -0.205 4.532 4.740 -0.005 0.000 0.250 106 N C 0.964 176.531 175.510 0.096 0.000 1.046 106 N CA 1.228 54.327 53.050 0.081 0.000 0.733 106 N CB -1.271 37.253 38.487 0.060 0.000 0.973 106 N HN 0.984 nan 8.380 nan 0.000 0.541 107 G N -0.694 108.173 108.800 0.113 0.000 2.623 107 G HA2 -0.046 3.910 3.960 -0.005 0.000 0.214 107 G HA3 -0.046 3.910 3.960 -0.005 0.000 0.214 107 G C 0.583 175.602 174.900 0.198 0.000 1.138 107 G CA 0.586 45.750 45.100 0.106 0.000 0.794 107 G HN 0.363 nan 8.290 nan 0.000 0.535 108 S N 0.810 116.686 115.700 0.294 0.000 2.642 108 S HA 0.534 5.000 4.470 -0.005 0.000 0.309 108 S C -0.104 174.643 174.600 0.245 0.000 1.125 108 S CA -0.645 57.781 58.200 0.378 0.000 1.055 108 S CB -0.439 63.041 63.200 0.466 0.000 1.157 108 S HN 0.149 nan 8.310 nan 0.000 0.513 109 L N 5.350 126.743 121.223 0.284 0.000 2.295 109 L HA 0.561 4.898 4.340 -0.005 0.000 0.285 109 L C -0.418 176.562 176.870 0.183 0.000 1.035 109 L CA -0.853 54.105 54.840 0.197 0.000 0.806 109 L CB 1.317 43.482 42.059 0.178 0.000 1.214 109 L HN 0.418 nan 8.230 nan 0.000 0.426 110 I N 3.680 124.273 120.570 0.038 0.000 2.371 110 I HA 0.293 4.460 4.170 -0.005 0.000 0.282 110 I C -0.031 176.125 176.117 0.066 0.000 1.031 110 I CA -0.316 60.913 61.300 -0.119 0.000 1.180 110 I CB 0.931 38.722 38.000 -0.349 0.000 1.336 110 I HN 0.714 nan 8.210 nan 0.000 0.467 111 E N 5.881 126.247 120.200 0.277 0.000 2.314 111 E HA 0.771 5.117 4.350 -0.005 0.000 0.272 111 E C -0.970 175.869 176.600 0.398 0.000 0.884 111 E CA -1.152 55.429 56.400 0.301 0.000 0.753 111 E CB 2.944 32.763 29.700 0.198 0.000 1.213 111 E HN 0.370 nan 8.360 nan 0.000 0.432 112 R N 1.391 122.050 120.500 0.265 0.000 2.532 112 R HA 0.180 4.516 4.340 -0.005 0.000 0.297 112 R C -1.463 174.890 176.300 0.089 0.000 0.984 112 R CA -0.552 55.627 56.100 0.132 0.000 0.884 112 R CB 1.094 31.428 30.300 0.057 0.000 1.182 112 R HN 0.821 nan 8.270 nan 0.000 0.442 113 D N 3.724 124.161 120.400 0.062 0.000 2.812 113 D HA -0.207 4.429 4.640 -0.005 0.000 0.237 113 D C -0.620 175.712 176.300 0.054 0.000 1.162 113 D CA 1.420 55.449 54.000 0.047 0.000 0.740 113 D CB -0.772 40.049 40.800 0.034 0.000 1.000 113 D HN 0.861 nan 8.370 nan 0.000 0.416 114 N N -1.400 117.337 118.700 0.060 0.000 2.900 114 N HA -0.219 4.518 4.740 -0.005 0.000 0.240 114 N C -0.140 175.405 175.510 0.058 0.000 0.953 114 N CA 1.633 54.715 53.050 0.054 0.000 0.950 114 N CB -1.382 37.130 38.487 0.041 0.000 1.102 114 N HN 0.648 nan 8.380 nan 0.000 0.593 115 T N 0.526 115.122 114.554 0.070 0.000 2.792 115 T HA 0.532 4.879 4.350 -0.005 0.000 0.280 115 T C -0.659 174.093 174.700 0.087 0.000 0.990 115 T CA -0.719 61.422 62.100 0.069 0.000 0.960 115 T CB 0.839 69.744 68.868 0.061 0.000 0.939 115 T HN 0.171 nan 8.240 nan 0.000 0.439 116 L N 7.271 128.538 121.223 0.073 0.000 2.325 116 L HA 0.406 4.743 4.340 -0.005 0.000 0.284 116 L C 0.732 177.640 176.870 0.062 0.000 1.089 116 L CA 0.116 55.001 54.840 0.074 0.000 0.836 116 L CB -0.127 41.967 42.059 0.059 0.000 1.184 116 L HN 0.795 nan 8.230 nan 0.000 0.444 117 L N 3.992 125.257 121.223 0.070 0.000 2.131 117 L HA 0.174 4.510 4.340 -0.005 0.000 0.206 117 L C 1.060 177.934 176.870 0.008 0.000 1.087 117 L CA 0.524 55.391 54.840 0.046 0.000 0.767 117 L CB -0.164 41.932 42.059 0.061 0.000 0.917 117 L HN 0.722 nan 8.230 nan 0.000 0.441 118 R N -1.361 119.136 120.500 -0.004 0.000 2.825 118 R HA 0.315 4.652 4.340 -0.005 0.000 0.274 118 R C -1.617 174.678 176.300 -0.008 0.000 1.026 118 R CA -0.205 55.883 56.100 -0.019 0.000 0.867 118 R CB 1.594 31.860 30.300 -0.057 0.000 1.268 118 R HN -0.073 nan 8.270 nan 0.000 0.491 119 S N 1.267 116.969 115.700 0.003 0.000 2.570 119 S HA 0.838 5.305 4.470 -0.005 0.000 0.270 119 S C -1.864 172.757 174.600 0.035 0.000 1.149 119 S CA -0.783 57.438 58.200 0.034 0.000 0.837 119 S CB 1.382 64.612 63.200 0.050 0.000 1.124 119 S HN 0.778 nan 8.310 nan 0.000 0.465 120 R N 1.282 121.829 120.500 0.078 0.000 2.712 120 R HA 0.489 4.826 4.340 -0.005 0.000 0.272 120 R C -1.808 174.600 176.300 0.180 0.000 1.032 120 R CA -0.963 55.198 56.100 0.103 0.000 0.874 120 R CB 0.034 30.374 30.300 0.066 0.000 1.256 120 R HN 0.464 nan 8.270 nan 0.000 0.468 121 D N 0.677 121.182 120.400 0.175 0.000 2.378 121 D HA 0.144 4.781 4.640 -0.005 0.000 0.238 121 D C 0.605 177.082 176.300 0.295 0.000 1.180 121 D CA 0.759 54.865 54.000 0.177 0.000 0.895 121 D CB 0.598 41.466 40.800 0.113 0.000 1.192 121 D HN 0.645 nan 8.370 nan 0.000 0.438 122 G N -0.139 108.768 108.800 0.178 0.000 2.732 122 G HA2 -0.110 3.847 3.960 -0.005 0.000 0.244 122 G HA3 -0.110 3.847 3.960 -0.005 0.000 0.244 122 G C 0.715 175.572 174.900 -0.072 0.000 1.226 122 G CA -0.212 44.947 45.100 0.099 0.000 0.860 122 G HN 0.532 nan 8.290 nan 0.000 0.583 123 Y N 0.497 120.386 120.300 -0.686 0.000 2.069 123 Y HA -0.211 4.336 4.550 -0.006 0.000 0.278 123 Y C 2.584 178.340 175.900 -0.241 0.000 1.175 123 Y CA 2.096 59.729 58.100 -0.779 0.000 1.134 123 Y CB -0.176 37.811 38.460 -0.789 0.000 0.965 123 Y HN 0.260 nan 8.280 nan 0.000 0.498 124 L N -1.203 119.879 121.223 -0.235 0.000 2.217 124 L HA -0.147 4.189 4.340 -0.005 0.000 0.211 124 L C 2.196 178.963 176.870 -0.172 0.000 1.107 124 L CA 0.669 55.369 54.840 -0.233 0.000 0.783 124 L CB -0.579 41.394 42.059 -0.144 0.000 0.919 124 L HN 0.169 nan 8.230 nan 0.000 0.442 125 V N -0.046 119.797 119.914 -0.118 0.000 2.323 125 V HA -0.275 3.841 4.120 -0.005 0.000 0.244 125 V C 2.167 178.235 176.094 -0.043 0.000 1.041 125 V CA 2.044 64.307 62.300 -0.061 0.000 1.025 125 V CB -0.462 31.349 31.823 -0.021 0.000 0.656 125 V HN 0.436 nan 8.190 nan 0.000 0.451 126 D N -0.016 120.373 120.400 -0.017 0.000 2.158 126 D HA -0.210 4.427 4.640 -0.005 0.000 0.197 126 D C 2.333 178.596 176.300 -0.062 0.000 0.995 126 D CA 1.361 55.369 54.000 0.012 0.000 0.846 126 D CB 0.008 40.886 40.800 0.131 0.000 0.941 126 D HN 0.202 nan 8.370 nan 0.000 0.456 127 R N -0.013 120.382 120.500 -0.175 0.000 2.075 127 R HA 0.136 4.472 4.340 -0.005 0.000 0.226 127 R C 2.274 178.511 176.300 -0.104 0.000 1.114 127 R CA 0.959 56.947 56.100 -0.187 0.000 0.972 127 R CB -0.774 29.319 30.300 -0.346 0.000 0.869 127 R HN 0.214 nan 8.270 nan 0.000 0.437 128 A N 1.889 124.652 122.820 -0.095 0.000 2.234 128 A HA -0.132 4.185 4.320 -0.005 0.000 0.216 128 A C 1.186 178.749 177.584 -0.036 0.000 1.167 128 A CA 0.343 52.346 52.037 -0.058 0.000 0.698 128 A CB -0.500 18.468 19.000 -0.053 0.000 0.779 128 A HN 0.050 nan 8.150 nan 0.000 0.475 129 R N 0.153 120.633 120.500 -0.033 0.000 2.296 129 R HA 0.294 4.631 4.340 -0.005 0.000 0.323 129 R C 0.328 176.619 176.300 -0.016 0.000 1.067 129 R CA 0.666 56.757 56.100 -0.016 0.000 0.946 129 R CB -0.638 29.659 30.300 -0.006 0.000 0.991 129 R HN 0.479 nan 8.270 nan 0.000 0.448 130 Q N 2.890 122.685 119.800 -0.010 0.000 2.405 130 Q HA -0.130 4.207 4.340 -0.005 0.000 0.201 130 Q C 0.510 176.505 176.000 -0.009 0.000 0.625 130 Q CA 0.975 56.775 55.803 -0.005 0.000 1.332 130 Q CB -1.529 27.208 28.738 -0.002 0.000 1.199 130 Q HN 1.251 nan 8.270 nan 0.000 0.915 131 G N 0.908 109.699 108.800 -0.015 0.000 2.379 131 G HA2 -0.291 3.666 3.960 -0.005 0.000 0.297 131 G HA3 -0.291 3.666 3.960 -0.005 0.000 0.297 131 G C 0.031 174.921 174.900 -0.016 0.000 1.004 131 G CA 0.803 45.893 45.100 -0.017 0.000 0.921 131 G HN 0.338 nan 8.290 nan 0.000 0.511 132 L N 0.066 121.274 121.223 -0.025 0.000 2.349 132 L HA 0.556 4.893 4.340 -0.005 0.000 0.275 132 L C 1.526 178.374 176.870 -0.037 0.000 1.115 132 L CA -0.053 54.775 54.840 -0.021 0.000 0.820 132 L CB 0.989 43.035 42.059 -0.022 0.000 1.135 132 L HN 0.258 nan 8.230 nan 0.000 0.445 133 G N 1.615 110.408 108.800 -0.013 0.000 2.582 133 G HA2 0.541 4.498 3.960 -0.005 0.000 0.232 133 G HA3 0.541 4.498 3.960 -0.005 0.000 0.232 133 G C -0.083 174.836 174.900 0.031 0.000 1.458 133 G CA -0.064 45.030 45.100 -0.011 0.000 1.062 133 G HN 0.759 nan 8.290 nan 0.000 0.566 134 A N -0.880 121.991 122.820 0.086 0.000 2.366 134 A HA 0.410 4.727 4.320 -0.005 0.000 0.250 134 A C 0.035 177.786 177.584 0.279 0.000 1.099 134 A CA 0.049 52.240 52.037 0.257 0.000 0.794 134 A CB 0.169 19.237 19.000 0.112 0.000 1.056 134 A HN 0.506 nan 8.150 nan 0.000 0.499 135 D N -0.094 120.579 120.400 0.454 0.000 2.339 135 D HA 0.370 5.007 4.640 -0.005 0.000 0.241 135 D C -1.846 174.661 176.300 0.345 0.000 1.183 135 D CA -1.948 52.251 54.000 0.330 0.000 0.859 135 D CB 1.098 42.077 40.800 0.298 0.000 1.067 135 D HN 0.059 nan 8.370 nan 0.000 0.484 136 P HA -0.031 nan 4.420 nan 0.000 0.225 136 P C 0.415 177.893 177.300 0.297 0.000 1.148 136 P CA 0.683 63.906 63.100 0.206 0.000 0.779 136 P CB 0.352 32.131 31.700 0.132 0.000 0.780 137 N N -1.129 117.752 118.700 0.302 0.000 2.254 137 N HA 0.132 4.869 4.740 -0.005 0.000 0.190 137 N C 0.636 176.379 175.510 0.390 0.000 1.107 137 N CA 0.029 53.280 53.050 0.336 0.000 0.869 137 N CB 0.221 38.826 38.487 0.198 0.000 0.983 137 N HN 0.054 nan 8.380 nan 0.000 0.487 138 A N 0.918 123.938 122.820 0.333 0.000 2.322 138 A HA 0.416 4.732 4.320 -0.005 0.000 0.269 138 A C -0.134 177.552 177.584 0.170 0.000 1.094 138 A CA -0.398 51.731 52.037 0.152 0.000 0.807 138 A CB 0.449 19.361 19.000 -0.147 0.000 1.047 138 A HN 0.196 nan 8.150 nan 0.000 0.487 139 L N 1.734 122.896 121.223 -0.102 0.000 2.290 139 L HA 0.528 4.865 4.340 -0.005 0.000 0.284 139 L C -1.161 175.564 176.870 -0.242 0.000 1.078 139 L CA 0.125 54.792 54.840 -0.287 0.000 0.815 139 L CB 0.054 41.708 42.059 -0.674 0.000 1.162 139 L HN 0.584 nan 8.230 nan 0.000 0.435 140 Y N 4.794 125.112 120.300 0.031 0.000 2.457 140 Y HA 0.505 5.052 4.550 -0.006 0.000 0.333 140 Y C -0.923 175.061 175.900 0.139 0.000 1.119 140 Y CA -0.103 58.047 58.100 0.084 0.000 1.143 140 Y CB 1.574 40.094 38.460 0.100 0.000 1.230 140 Y HN 0.569 nan 8.280 nan 0.000 0.469 141 Y N 3.223 123.620 120.300 0.163 0.000 2.401 141 Y HA 0.668 5.215 4.550 -0.005 0.000 0.330 141 Y C -1.782 174.205 175.900 0.145 0.000 1.071 141 Y CA -1.002 57.164 58.100 0.110 0.000 1.049 141 Y CB 0.981 39.463 38.460 0.037 0.000 1.239 141 Y HN 0.490 nan 8.280 nan 0.000 0.437 142 I N 5.665 126.229 120.570 -0.010 0.000 2.582 142 I HA 0.542 4.708 4.170 -0.005 0.000 0.292 142 I C -0.621 175.427 176.117 -0.115 0.000 1.066 142 I CA -0.826 60.517 61.300 0.071 0.000 1.053 142 I CB 2.577 40.646 38.000 0.115 0.000 1.241 142 I HN 0.666 nan 8.210 nan 0.000 0.421 143 T N 1.057 115.545 114.554 -0.111 0.000 2.926 143 T HA 0.971 5.317 4.350 -0.005 0.000 0.289 143 T C -0.214 174.450 174.700 -0.061 0.000 1.054 143 T CA -0.950 60.983 62.100 -0.280 0.000 1.015 143 T CB 2.319 70.778 68.868 -0.683 0.000 1.167 143 T HN 1.191 nan 8.240 nan 0.000 0.526 144 G N -1.977 106.800 108.800 -0.039 0.000 2.343 144 G HA2 0.535 4.492 3.960 -0.005 0.000 0.298 144 G HA3 0.535 4.492 3.960 -0.005 0.000 0.298 144 G C 0.102 175.064 174.900 0.104 0.000 1.644 144 G CA 0.101 45.237 45.100 0.061 0.000 0.958 144 G HN 2.015 nan 8.290 nan 0.000 0.702 145 G N -0.952 107.904 108.800 0.093 0.000 2.905 145 G HA2 0.197 4.153 3.960 -0.005 0.000 0.196 145 G HA3 0.197 4.153 3.960 -0.005 0.000 0.196 145 G C 1.659 176.621 174.900 0.103 0.000 1.044 145 G CA 1.383 46.520 45.100 0.062 0.000 0.778 145 G HN 2.173 nan 8.290 nan 0.000 0.474 146 G N 1.210 110.029 108.800 0.031 0.000 2.446 146 G HA2 -0.220 3.736 3.960 -0.005 0.000 0.217 146 G HA3 -0.220 3.736 3.960 -0.005 0.000 0.217 146 G C 1.480 176.448 174.900 0.113 0.000 1.168 146 G CA 1.718 46.846 45.100 0.047 0.000 0.771 146 G HN 0.496 nan 8.290 nan 0.000 0.551 147 N N 1.130 119.874 118.700 0.073 0.000 2.223 147 N HA -0.097 4.639 4.740 -0.005 0.000 0.185 147 N C 1.763 177.317 175.510 0.074 0.000 1.016 147 N CA 1.455 54.546 53.050 0.069 0.000 0.863 147 N CB -0.308 38.220 38.487 0.067 0.000 0.983 147 N HN 0.331 nan 8.380 nan 0.000 0.429 148 D N 0.147 120.593 120.400 0.077 0.000 2.123 148 D HA -0.123 4.513 4.640 -0.005 0.000 0.196 148 D C 1.668 177.937 176.300 -0.052 0.000 0.992 148 D CA 1.033 55.035 54.000 0.003 0.000 0.833 148 D CB -0.261 40.531 40.800 -0.013 0.000 0.954 148 D HN 0.212 nan 8.370 nan 0.000 0.455 149 F N 0.340 120.280 119.950 -0.017 0.000 2.084 149 F HA -0.024 4.500 4.527 -0.006 0.000 0.296 149 F C 2.200 177.987 175.800 -0.022 0.000 1.111 149 F CA 0.723 58.710 58.000 -0.021 0.000 1.224 149 F CB -0.351 38.622 39.000 -0.045 0.000 0.991 149 F HN -0.064 nan 8.300 nan 0.000 0.471 150 L N -0.507 120.816 121.223 0.166 0.000 2.079 150 L HA -0.250 4.087 4.340 -0.005 0.000 0.210 150 L C 1.707 178.604 176.870 0.045 0.000 1.081 150 L CA 1.422 56.309 54.840 0.080 0.000 0.752 150 L CB -0.777 41.307 42.059 0.042 0.000 0.896 150 L HN 0.261 nan 8.230 nan 0.000 0.433 151 Q N -0.233 119.587 119.800 0.034 0.000 2.282 151 Q HA 0.104 4.440 4.340 -0.005 0.000 0.205 151 Q C 1.238 177.234 176.000 -0.006 0.000 0.915 151 Q CA 0.437 56.247 55.803 0.012 0.000 0.949 151 Q CB 0.337 29.082 28.738 0.012 0.000 1.035 151 Q HN 0.585 nan 8.270 nan 0.000 0.484 152 G N 1.566 110.362 108.800 -0.008 0.000 2.168 152 G HA2 -0.355 3.602 3.960 -0.005 0.000 0.257 152 G HA3 -0.355 3.602 3.960 -0.005 0.000 0.257 152 G C 0.717 175.580 174.900 -0.061 0.000 0.997 152 G CA 0.424 45.506 45.100 -0.030 0.000 0.708 152 G HN 0.383 nan 8.290 nan 0.000 0.520 153 R N -0.647 119.803 120.500 -0.084 0.000 2.310 153 R HA 0.396 4.733 4.340 -0.005 0.000 0.202 153 R C 0.619 176.816 176.300 -0.171 0.000 0.933 153 R CA 0.405 56.444 56.100 -0.103 0.000 1.054 153 R CB 0.262 30.513 30.300 -0.081 0.000 0.985 153 R HN 0.496 nan 8.270 nan 0.000 0.489 154 I N 1.078 121.497 120.570 -0.252 0.000 2.493 154 I HA 0.146 4.312 4.170 -0.005 0.000 0.279 154 I C 0.071 176.073 176.117 -0.192 0.000 1.045 154 I CA -0.167 60.918 61.300 -0.357 0.000 1.106 154 I CB 1.757 39.189 38.000 -0.948 0.000 1.216 154 I HN 0.008 nan 8.210 nan 0.000 0.459 155 L N 4.913 126.083 121.223 -0.089 0.000 3.039 155 L HA 0.291 4.628 4.340 -0.005 0.000 0.269 155 L C -0.126 176.761 176.870 0.027 0.000 1.169 155 L CA -0.102 54.722 54.840 -0.026 0.000 0.986 155 L CB 0.102 42.134 42.059 -0.045 0.000 1.377 155 L HN 0.666 nan 8.230 nan 0.000 0.575 156 N N -3.367 115.348 118.700 0.025 0.000 2.934 156 N HA 0.152 4.889 4.740 -0.005 0.000 0.253 156 N C -0.131 175.415 175.510 0.060 0.000 1.466 156 N CA -0.677 52.409 53.050 0.060 0.000 0.858 156 N CB 0.443 38.953 38.487 0.038 0.000 1.459 156 N HN -0.323 nan 8.380 nan 0.000 0.532 157 D N -0.181 120.261 120.400 0.071 0.000 2.123 157 D HA -0.095 4.541 4.640 -0.005 0.000 0.196 157 D C 1.671 177.996 176.300 0.042 0.000 0.992 157 D CA 1.241 55.284 54.000 0.071 0.000 0.833 157 D CB -0.152 40.684 40.800 0.061 0.000 0.954 157 D HN 0.347 nan 8.370 nan 0.000 0.455 158 V N 0.901 120.828 119.914 0.021 0.000 2.287 158 V HA -0.275 3.842 4.120 -0.005 0.000 0.248 158 V C 2.477 178.563 176.094 -0.013 0.000 1.053 158 V CA 1.724 64.023 62.300 -0.000 0.000 1.027 158 V CB -0.546 31.274 31.823 -0.006 0.000 0.646 158 V HN 0.233 nan 8.190 nan 0.000 0.447 159 Q N -0.458 119.331 119.800 -0.020 0.000 2.170 159 Q HA -0.131 4.206 4.340 -0.005 0.000 0.203 159 Q C 2.380 178.353 176.000 -0.045 0.000 0.976 159 Q CA 1.586 57.361 55.803 -0.047 0.000 0.858 159 Q CB -0.357 28.337 28.738 -0.073 0.000 0.907 159 Q HN 0.698 nan 8.270 nan 0.000 0.433 160 A N 0.921 123.740 122.820 -0.001 0.000 1.898 160 A HA -0.218 4.098 4.320 -0.005 0.000 0.216 160 A C 1.949 179.579 177.584 0.076 0.000 1.181 160 A CA 1.214 53.314 52.037 0.105 0.000 0.620 160 A CB -0.339 18.800 19.000 0.231 0.000 0.819 160 A HN 0.315 nan 8.150 nan 0.000 0.442 161 Q N -0.542 119.261 119.800 0.005 0.000 2.084 161 Q HA -0.225 4.112 4.340 -0.005 0.000 0.202 161 Q C 2.260 178.193 176.000 -0.111 0.000 0.978 161 Q CA 1.720 57.480 55.803 -0.073 0.000 0.844 161 Q CB -0.217 28.495 28.738 -0.043 0.000 0.898 161 Q HN 0.766 nan 8.270 nan 0.000 0.426 162 Q N -0.003 119.754 119.800 -0.072 0.000 2.119 162 Q HA -0.117 4.220 4.340 -0.005 0.000 0.201 162 Q C 2.083 178.033 176.000 -0.083 0.000 0.972 162 Q CA 1.218 56.974 55.803 -0.079 0.000 0.847 162 Q CB -0.144 28.557 28.738 -0.062 0.000 0.903 162 Q HN 0.377 nan 8.270 nan 0.000 0.433 163 A N 0.975 123.769 122.820 -0.043 0.000 1.930 163 A HA -0.052 4.264 4.320 -0.005 0.000 0.217 163 A C 2.272 179.826 177.584 -0.049 0.000 1.175 163 A CA 1.377 53.441 52.037 0.045 0.000 0.627 163 A CB -0.632 18.488 19.000 0.199 0.000 0.815 163 A HN 0.381 nan 8.150 nan 0.000 0.443 164 A N -0.362 122.189 122.820 -0.449 0.000 1.933 164 A HA 0.135 4.451 4.320 -0.005 0.000 0.218 164 A C 2.373 179.749 177.584 -0.346 0.000 1.175 164 A CA 1.814 53.335 52.037 -0.860 0.000 0.628 164 A CB -1.308 17.086 19.000 -1.010 0.000 0.814 164 A HN 0.704 nan 8.150 nan 0.000 0.444 165 G N -0.677 107.984 108.800 -0.232 0.000 2.432 165 G HA2 -0.212 3.745 3.960 -0.005 0.000 0.219 165 G HA3 -0.212 3.745 3.960 -0.005 0.000 0.219 165 G C 1.758 176.577 174.900 -0.135 0.000 1.135 165 G CA 0.824 45.829 45.100 -0.157 0.000 0.767 165 G HN 0.558 nan 8.290 nan 0.000 0.550 166 R N -0.838 119.591 120.500 -0.118 0.000 2.115 166 R HA 0.081 4.418 4.340 -0.005 0.000 0.226 166 R C 2.394 178.665 176.300 -0.047 0.000 1.100 166 R CA 0.627 56.658 56.100 -0.115 0.000 0.980 166 R CB -0.384 29.867 30.300 -0.082 0.000 0.875 166 R HN 0.344 nan 8.270 nan 0.000 0.445 167 L N 0.709 121.933 121.223 0.001 0.000 2.017 167 L HA -0.141 4.196 4.340 -0.005 0.000 0.208 167 L C 2.045 178.924 176.870 0.015 0.000 1.073 167 L CA 1.617 56.492 54.840 0.058 0.000 0.745 167 L CB -0.387 41.749 42.059 0.128 0.000 0.894 167 L HN -0.111 nan 8.230 nan 0.000 0.432 168 V N -0.109 119.782 119.914 -0.038 0.000 2.490 168 V HA -0.278 3.839 4.120 -0.005 0.000 0.250 168 V C 2.240 178.316 176.094 -0.030 0.000 1.061 168 V CA 1.722 63.998 62.300 -0.040 0.000 1.064 168 V CB -0.871 30.911 31.823 -0.069 0.000 0.670 168 V HN 0.450 nan 8.190 nan 0.000 0.461 169 D N 0.079 120.448 120.400 -0.052 0.000 2.133 169 D HA -0.154 4.483 4.640 -0.005 0.000 0.195 169 D C 2.440 178.816 176.300 0.126 0.000 0.997 169 D CA 1.770 55.744 54.000 -0.043 0.000 0.840 169 D CB -0.214 40.417 40.800 -0.282 0.000 0.947 169 D HN 0.389 nan 8.370 nan 0.000 0.452 170 S N -0.298 115.490 115.700 0.146 0.000 2.355 170 S HA -0.099 4.368 4.470 -0.005 0.000 0.222 170 S C 2.341 176.914 174.600 -0.046 0.000 1.031 170 S CA 0.605 58.858 58.200 0.088 0.000 0.993 170 S CB -0.158 63.064 63.200 0.037 0.000 0.859 170 S HN 0.083 nan 8.310 nan 0.000 0.453 171 V N 2.022 121.919 119.914 -0.028 0.000 2.282 171 V HA -0.279 3.837 4.120 -0.005 0.000 0.249 171 V C 2.420 178.472 176.094 -0.071 0.000 1.057 171 V CA 1.865 64.133 62.300 -0.053 0.000 1.032 171 V CB -0.841 30.966 31.823 -0.028 0.000 0.645 171 V HN 0.515 nan 8.190 nan 0.000 0.447 172 Q N -0.363 119.413 119.800 -0.041 0.000 2.167 172 Q HA -0.120 4.217 4.340 -0.005 0.000 0.202 172 Q C 2.416 178.386 176.000 -0.049 0.000 0.970 172 Q CA 1.540 57.319 55.803 -0.040 0.000 0.855 172 Q CB -0.397 28.328 28.738 -0.022 0.000 0.911 172 Q HN 0.696 nan 8.270 nan 0.000 0.438 173 A N 0.879 123.675 122.820 -0.039 0.000 1.902 173 A HA -0.151 4.166 4.320 -0.005 0.000 0.217 173 A C 2.042 179.537 177.584 -0.149 0.000 1.181 173 A CA 1.069 53.058 52.037 -0.080 0.000 0.623 173 A CB -0.571 18.355 19.000 -0.124 0.000 0.818 173 A HN 0.272 nan 8.150 nan 0.000 0.443 174 L N -0.683 120.416 121.223 -0.206 0.000 2.056 174 L HA -0.226 4.111 4.340 -0.005 0.000 0.207 174 L C 2.923 179.655 176.870 -0.230 0.000 1.078 174 L CA 1.724 56.392 54.840 -0.287 0.000 0.749 174 L CB -0.593 41.205 42.059 -0.434 0.000 0.901 174 L HN 0.659 nan 8.230 nan 0.000 0.433 175 Q N 0.490 120.189 119.800 -0.169 0.000 2.030 175 Q HA -0.302 4.035 4.340 -0.005 0.000 0.204 175 Q C 2.122 178.067 176.000 -0.092 0.000 0.986 175 Q CA 2.063 57.793 55.803 -0.122 0.000 0.843 175 Q CB -0.211 28.475 28.738 -0.086 0.000 0.904 175 Q HN 0.539 nan 8.270 nan 0.000 0.420 176 Q N -0.257 119.497 119.800 -0.077 0.000 2.181 176 Q HA -0.131 4.206 4.340 -0.005 0.000 0.205 176 Q C 1.814 177.780 176.000 -0.058 0.000 0.980 176 Q CA 1.335 57.104 55.803 -0.057 0.000 0.862 176 Q CB -0.145 28.566 28.738 -0.046 0.000 0.905 176 Q HN 0.541 nan 8.270 nan 0.000 0.429 177 A N -0.330 122.444 122.820 -0.077 0.000 2.238 177 A HA 0.313 4.630 4.320 -0.005 0.000 0.208 177 A C 1.398 178.956 177.584 -0.044 0.000 1.177 177 A CA 0.775 52.775 52.037 -0.062 0.000 0.804 177 A CB -0.052 18.904 19.000 -0.072 0.000 0.823 177 A HN 0.452 nan 8.150 nan 0.000 0.482 178 G N -2.219 106.548 108.800 -0.057 0.000 2.148 178 G HA2 0.163 4.120 3.960 -0.005 0.000 0.203 178 G HA3 0.163 4.120 3.960 -0.005 0.000 0.203 178 G C 0.334 175.211 174.900 -0.039 0.000 0.993 178 G CA 0.053 45.133 45.100 -0.033 0.000 0.661 178 G HN 1.486 nan 8.290 nan 0.000 0.518 179 A N -0.114 122.632 122.820 -0.124 0.000 2.440 179 A HA 0.730 5.047 4.320 -0.005 0.000 0.251 179 A C 1.185 178.701 177.584 -0.114 0.000 1.089 179 A CA 0.737 52.677 52.037 -0.162 0.000 0.779 179 A CB 0.271 18.938 19.000 -0.554 0.000 1.022 179 A HN 0.470 nan 8.150 nan 0.000 0.492 180 R N 0.049 120.492 120.500 -0.095 0.000 2.419 180 R HA 0.172 4.509 4.340 -0.005 0.000 0.235 180 R C -1.233 174.658 176.300 -0.682 0.000 0.899 180 R CA 0.416 56.273 56.100 -0.405 0.000 1.048 180 R CB 0.568 30.542 30.300 -0.542 0.000 1.182 180 R HN 0.756 nan 8.270 nan 0.000 0.544 181 Y N 0.366 120.772 120.300 0.178 0.000 2.332 181 Y HA 0.465 5.011 4.550 -0.006 0.000 0.325 181 Y C -0.685 175.280 175.900 0.109 0.000 1.054 181 Y CA -0.880 57.295 58.100 0.125 0.000 1.119 181 Y CB 1.480 40.009 38.460 0.115 0.000 1.168 181 Y HN -0.164 nan 8.280 nan 0.000 0.439 182 I N 3.929 124.590 120.570 0.153 0.000 2.468 182 I HA 0.378 4.545 4.170 -0.005 0.000 0.284 182 I C -0.830 175.287 176.117 -0.001 0.000 1.038 182 I CA -0.974 60.390 61.300 0.108 0.000 1.083 182 I CB 1.683 39.714 38.000 0.052 0.000 1.223 182 I HN 0.262 nan 8.210 nan 0.000 0.443 183 V N 7.020 126.922 119.914 -0.020 0.000 2.530 183 V HA 0.323 4.440 4.120 -0.005 0.000 0.282 183 V C 0.111 176.108 176.094 -0.162 0.000 1.048 183 V CA -0.345 61.868 62.300 -0.146 0.000 0.997 183 V CB 1.429 33.158 31.823 -0.156 0.000 0.987 183 V HN 0.431 nan 8.190 nan 0.000 0.477 184 V N 4.021 123.856 119.914 -0.133 0.000 2.577 184 V HA 0.391 4.508 4.120 -0.005 0.000 0.303 184 V C -0.812 175.316 176.094 0.057 0.000 1.042 184 V CA -0.927 61.354 62.300 -0.032 0.000 0.872 184 V CB 1.824 33.648 31.823 0.002 0.000 0.998 184 V HN 0.863 nan 8.190 nan 0.000 0.423 185 W N 4.236 125.449 121.300 -0.146 0.000 2.238 185 W HA 0.523 5.180 4.660 -0.006 0.000 0.321 185 W C -0.032 176.506 176.519 0.032 0.000 1.293 185 W CA -0.506 56.801 57.345 -0.062 0.000 1.204 185 W CB 0.453 29.891 29.460 -0.037 0.000 1.167 185 W HN 0.320 nan 8.180 nan 0.000 0.553 186 L N 4.011 125.358 121.223 0.208 0.000 2.439 186 L HA 0.118 4.455 4.340 -0.005 0.000 0.269 186 L C 0.247 177.282 176.870 0.276 0.000 1.179 186 L CA -0.387 54.589 54.840 0.227 0.000 0.828 186 L CB -0.133 42.007 42.059 0.134 0.000 1.106 186 L HN 0.221 nan 8.230 nan 0.000 0.467 187 L N 5.800 127.171 121.223 0.246 0.000 2.453 187 L HA 0.281 4.618 4.340 -0.005 0.000 0.272 187 L C -2.093 174.825 176.870 0.079 0.000 1.182 187 L CA -0.884 54.005 54.840 0.081 0.000 0.858 187 L CB 0.162 42.040 42.059 -0.300 0.000 1.120 187 L HN 0.439 nan 8.230 nan 0.000 0.474 188 P HA -0.019 nan 4.420 nan 0.000 0.269 188 P C -1.184 176.109 177.300 -0.012 0.000 1.217 188 P CA -0.224 62.922 63.100 0.077 0.000 0.783 188 P CB 0.339 32.131 31.700 0.153 0.000 0.898 189 D N 1.887 122.288 120.400 0.003 0.000 2.346 189 D HA -0.012 4.625 4.640 -0.005 0.000 0.267 189 D C 1.016 177.289 176.300 -0.045 0.000 1.320 189 D CA 0.343 54.330 54.000 -0.021 0.000 0.951 189 D CB 0.019 40.827 40.800 0.012 0.000 1.079 189 D HN 0.264 nan 8.370 nan 0.000 0.509 190 L N 3.028 124.166 121.223 -0.141 0.000 2.465 190 L HA 0.006 4.342 4.340 -0.005 0.000 0.224 190 L C 2.284 179.104 176.870 -0.083 0.000 1.145 190 L CA 0.723 55.458 54.840 -0.175 0.000 0.834 190 L CB -0.055 41.764 42.059 -0.401 0.000 0.944 190 L HN 0.448 nan 8.230 nan 0.000 0.451 191 G N -0.184 108.601 108.800 -0.025 0.000 2.650 191 G HA2 -0.016 3.940 3.960 -0.005 0.000 0.214 191 G HA3 -0.016 3.940 3.960 -0.005 0.000 0.214 191 G C 1.100 176.079 174.900 0.131 0.000 1.136 191 G CA -0.027 45.105 45.100 0.054 0.000 0.789 191 G HN 0.278 nan 8.290 nan 0.000 0.536 192 L N 2.325 123.588 121.223 0.067 0.000 3.096 192 L HA 0.288 4.624 4.340 -0.005 0.000 0.247 192 L C 0.349 177.177 176.870 -0.071 0.000 1.321 192 L CA -0.333 54.525 54.840 0.029 0.000 1.044 192 L CB 0.071 42.143 42.059 0.022 0.000 1.434 192 L HN 0.148 nan 8.230 nan 0.000 0.533 193 T N -5.249 109.210 114.554 -0.159 0.000 2.907 193 T HA 0.436 4.783 4.350 -0.005 0.000 0.292 193 T C -2.284 172.164 174.700 -0.421 0.000 1.043 193 T CA -1.999 59.785 62.100 -0.527 0.000 1.003 193 T CB 2.419 71.064 68.868 -0.371 0.000 1.084 193 T HN -0.235 nan 8.240 nan 0.000 0.483 194 P HA -0.045 nan 4.420 nan 0.000 0.218 194 P C 1.620 178.847 177.300 -0.121 0.000 1.146 194 P CA 1.377 64.320 63.100 -0.262 0.000 0.813 194 P CB -0.238 31.296 31.700 -0.277 0.000 0.778 195 A N -0.453 122.268 122.820 -0.165 0.000 1.908 195 A HA -0.205 4.111 4.320 -0.005 0.000 0.218 195 A C 2.163 179.726 177.584 -0.034 0.000 1.181 195 A CA 2.852 54.837 52.037 -0.086 0.000 0.627 195 A CB -1.615 17.325 19.000 -0.100 0.000 0.818 195 A HN 0.375 nan 8.150 nan 0.000 0.445 196 T N -5.718 108.828 114.554 -0.014 0.000 2.958 196 T HA 0.279 4.626 4.350 -0.005 0.000 0.256 196 T C 0.358 175.090 174.700 0.053 0.000 0.983 196 T CA -0.180 61.932 62.100 0.020 0.000 0.924 196 T CB -0.363 68.520 68.868 0.024 0.000 1.136 196 T HN 0.148 nan 8.240 nan 0.000 0.506 197 F N 3.519 123.425 119.950 -0.074 0.000 2.623 197 F HA 0.414 4.938 4.527 -0.005 0.000 0.383 197 F C 1.566 177.348 175.800 -0.030 0.000 1.077 197 F CA 0.952 58.919 58.000 -0.053 0.000 1.268 197 F CB -0.084 38.872 39.000 -0.074 0.000 1.053 197 F HN 0.479 nan 8.300 nan 0.000 0.571 198 G N 3.483 111.786 108.800 -0.829 0.000 2.189 198 G HA2 -0.217 3.740 3.960 -0.005 0.000 0.267 198 G HA3 -0.217 3.740 3.960 -0.005 0.000 0.267 198 G C 0.484 175.225 174.900 -0.264 0.000 0.975 198 G CA 0.211 44.924 45.100 -0.645 0.000 0.644 198 G HN 1.312 nan 8.290 nan 0.000 0.537 199 G N -0.344 108.361 108.800 -0.159 0.000 2.531 199 G HA2 0.695 4.652 3.960 -0.005 0.000 0.313 199 G HA3 0.695 4.652 3.960 -0.005 0.000 0.313 199 G C -0.520 174.364 174.900 -0.028 0.000 1.238 199 G CA -0.255 44.806 45.100 -0.066 0.000 0.994 199 G HN 0.093 nan 8.290 nan 0.000 0.493 200 P HA 0.005 nan 4.420 nan 0.000 0.229 200 P C 1.592 179.003 177.300 0.185 0.000 1.160 200 P CA 0.557 63.702 63.100 0.074 0.000 0.777 200 P CB 0.309 32.051 31.700 0.070 0.000 0.814 201 L N -0.476 120.836 121.223 0.148 0.000 2.418 201 L HA -0.017 4.320 4.340 -0.005 0.000 0.218 201 L C 2.895 179.901 176.870 0.228 0.000 1.125 201 L CA 0.619 55.598 54.840 0.231 0.000 0.835 201 L CB -0.811 41.303 42.059 0.091 0.000 0.953 201 L HN 0.060 nan 8.230 nan 0.000 0.454 202 Q N 1.346 121.212 119.800 0.110 0.000 2.062 202 Q HA -0.227 4.109 4.340 -0.005 0.000 0.209 202 Q C -0.630 175.411 176.000 0.069 0.000 0.996 202 Q CA 2.421 58.265 55.803 0.069 0.000 0.859 202 Q CB -0.656 28.083 28.738 0.001 0.000 0.920 202 Q HN 0.308 nan 8.270 nan 0.000 0.415 203 P HA -0.091 nan 4.420 nan 0.000 0.219 203 P C 0.604 177.861 177.300 -0.071 0.000 1.150 203 P CA 1.086 64.145 63.100 -0.068 0.000 0.814 203 P CB -0.170 31.421 31.700 -0.182 0.000 0.787 204 F N 0.675 120.642 119.950 0.028 0.000 2.102 204 F HA -0.159 4.365 4.527 -0.005 0.000 0.298 204 F C 2.559 178.400 175.800 0.067 0.000 1.105 204 F CA 1.623 59.654 58.000 0.052 0.000 1.239 204 F CB -1.508 37.525 39.000 0.055 0.000 0.991 204 F HN -0.111 nan 8.300 nan 0.000 0.474 205 A N -0.562 122.405 122.820 0.246 0.000 1.877 205 A HA -0.185 4.132 4.320 -0.005 0.000 0.216 205 A C 2.370 179.962 177.584 0.012 0.000 1.186 205 A CA 2.193 54.285 52.037 0.092 0.000 0.620 205 A CB -1.147 17.870 19.000 0.029 0.000 0.822 205 A HN 0.336 nan 8.150 nan 0.000 0.443 206 S N -0.774 114.947 115.700 0.034 0.000 2.368 206 S HA -0.205 4.262 4.470 -0.005 0.000 0.224 206 S C 2.151 176.775 174.600 0.041 0.000 1.029 206 S CA 1.428 59.639 58.200 0.019 0.000 0.988 206 S CB -0.326 62.890 63.200 0.027 0.000 0.838 206 S HN 0.752 nan 8.310 nan 0.000 0.462 207 Q N 0.843 120.677 119.800 0.057 0.000 2.050 207 Q HA -0.064 4.273 4.340 -0.005 0.000 0.202 207 Q C 2.018 178.097 176.000 0.131 0.000 0.980 207 Q CA 1.243 57.088 55.803 0.070 0.000 0.840 207 Q CB -0.232 28.532 28.738 0.043 0.000 0.898 207 Q HN 0.472 nan 8.270 nan 0.000 0.424 208 L N 0.358 121.700 121.223 0.197 0.000 2.217 208 L HA -0.098 4.238 4.340 -0.005 0.000 0.211 208 L C 2.522 179.604 176.870 0.354 0.000 1.107 208 L CA 0.647 55.680 54.840 0.322 0.000 0.783 208 L CB -0.196 42.168 42.059 0.507 0.000 0.919 208 L HN 0.197 nan 8.230 nan 0.000 0.442 209 S N 0.185 115.964 115.700 0.133 0.000 2.356 209 S HA -0.131 4.336 4.470 -0.005 0.000 0.223 209 S C 2.081 176.782 174.600 0.169 0.000 1.032 209 S CA 1.321 59.546 58.200 0.042 0.000 1.005 209 S CB -0.568 62.569 63.200 -0.104 0.000 0.867 209 S HN 0.601 nan 8.310 nan 0.000 0.449 210 G N 1.228 110.107 108.800 0.131 0.000 2.446 210 G HA2 -0.217 3.740 3.960 -0.005 0.000 0.217 210 G HA3 -0.217 3.740 3.960 -0.005 0.000 0.217 210 G C 1.473 176.470 174.900 0.161 0.000 1.168 210 G CA 1.595 46.771 45.100 0.126 0.000 0.771 210 G HN 0.490 nan 8.290 nan 0.000 0.551 211 T N 0.598 115.260 114.554 0.181 0.000 2.746 211 T HA -0.124 4.223 4.350 -0.005 0.000 0.267 211 T C 1.916 176.732 174.700 0.194 0.000 1.039 211 T CA 1.147 63.344 62.100 0.162 0.000 1.142 211 T CB -0.313 68.651 68.868 0.159 0.000 0.866 211 T HN 0.268 nan 8.240 nan 0.000 0.444 212 F N 2.718 122.750 119.950 0.136 0.000 2.069 212 F HA -0.202 4.322 4.527 -0.005 0.000 0.298 212 F C 2.182 178.042 175.800 0.100 0.000 1.113 212 F CA 1.378 59.464 58.000 0.142 0.000 1.214 212 F CB -0.243 38.900 39.000 0.239 0.000 0.978 212 F HN 0.060 nan 8.300 nan 0.000 0.474 213 N N 0.591 119.531 118.700 0.400 0.000 2.244 213 N HA -0.103 4.634 4.740 -0.005 0.000 0.183 213 N C 1.903 177.474 175.510 0.102 0.000 1.016 213 N CA 1.225 54.430 53.050 0.260 0.000 0.866 213 N CB -0.691 37.936 38.487 0.233 0.000 0.980 213 N HN 0.435 nan 8.380 nan 0.000 0.430 214 A N 1.288 124.158 122.820 0.084 0.000 1.898 214 A HA -0.095 4.222 4.320 -0.005 0.000 0.216 214 A C 2.104 179.687 177.584 -0.001 0.000 1.181 214 A CA 1.083 53.144 52.037 0.041 0.000 0.620 214 A CB -0.259 18.768 19.000 0.045 0.000 0.819 214 A HN 0.121 nan 8.150 nan 0.000 0.442 215 E N -0.594 119.584 120.200 -0.035 0.000 2.106 215 E HA -0.142 4.205 4.350 -0.005 0.000 0.192 215 E C 1.978 178.507 176.600 -0.118 0.000 0.984 215 E CA 1.079 57.427 56.400 -0.087 0.000 0.806 215 E CB -0.264 29.357 29.700 -0.131 0.000 0.750 215 E HN 0.520 nan 8.360 nan 0.000 0.458 216 L N 1.176 122.309 121.223 -0.151 0.000 1.994 216 L HA -0.172 4.165 4.340 -0.005 0.000 0.208 216 L C 2.559 179.402 176.870 -0.045 0.000 1.071 216 L CA 2.633 57.393 54.840 -0.133 0.000 0.745 216 L CB -1.126 40.876 42.059 -0.095 0.000 0.892 216 L HN 0.162 nan 8.230 nan 0.000 0.431 217 T N -2.816 111.733 114.554 -0.007 0.000 2.821 217 T HA -0.067 4.279 4.350 -0.005 0.000 0.267 217 T C 1.870 176.568 174.700 -0.003 0.000 1.046 217 T CA 1.038 63.143 62.100 0.008 0.000 1.139 217 T CB -0.892 67.992 68.868 0.026 0.000 0.871 217 T HN 0.387 nan 8.240 nan 0.000 0.454 218 A N 1.429 124.241 122.820 -0.013 0.000 1.897 218 A HA -0.038 4.279 4.320 -0.005 0.000 0.215 218 A C 2.534 180.104 177.584 -0.024 0.000 1.181 218 A CA 1.319 53.346 52.037 -0.015 0.000 0.620 218 A CB -0.723 18.266 19.000 -0.017 0.000 0.821 218 A HN 0.594 nan 8.150 nan 0.000 0.443 219 Q N -0.464 119.312 119.800 -0.040 0.000 2.046 219 Q HA -0.085 4.251 4.340 -0.005 0.000 0.200 219 Q C 2.140 178.120 176.000 -0.033 0.000 0.975 219 Q CA 1.358 57.134 55.803 -0.045 0.000 0.836 219 Q CB -0.310 28.386 28.738 -0.070 0.000 0.896 219 Q HN 0.671 nan 8.270 nan 0.000 0.428 220 L N 0.147 121.353 121.223 -0.028 0.000 2.079 220 L HA -0.211 4.126 4.340 -0.005 0.000 0.210 220 L C 2.629 179.497 176.870 -0.004 0.000 1.081 220 L CA 0.936 55.767 54.840 -0.015 0.000 0.752 220 L CB -0.525 41.530 42.059 -0.007 0.000 0.896 220 L HN 0.212 nan 8.230 nan 0.000 0.433 221 S N -0.673 115.026 115.700 -0.001 0.000 2.402 221 S HA -0.241 4.226 4.470 -0.005 0.000 0.233 221 S C 1.807 176.406 174.600 -0.001 0.000 1.030 221 S CA 1.538 59.741 58.200 0.005 0.000 1.003 221 S CB -0.024 63.177 63.200 0.002 0.000 0.813 221 S HN 0.507 nan 8.310 nan 0.000 0.477 222 Q N -0.991 118.804 119.800 -0.009 0.000 2.281 222 Q HA 0.340 4.677 4.340 -0.005 0.000 0.215 222 Q C 2.056 178.047 176.000 -0.015 0.000 0.867 222 Q CA 0.468 56.264 55.803 -0.012 0.000 0.940 222 Q CB 0.247 28.975 28.738 -0.016 0.000 1.111 222 Q HN 0.601 nan 8.270 nan 0.000 0.513 223 A N 0.708 123.518 122.820 -0.017 0.000 2.014 223 A HA 0.123 4.439 4.320 -0.005 0.000 0.218 223 A C 1.690 179.264 177.584 -0.017 0.000 1.163 223 A CA 1.256 53.281 52.037 -0.021 0.000 0.652 223 A CB -0.562 18.423 19.000 -0.024 0.000 0.808 223 A HN 0.450 nan 8.150 nan 0.000 0.449 224 G N -1.947 106.847 108.800 -0.010 0.000 2.153 224 G HA2 0.065 4.022 3.960 -0.005 0.000 0.252 224 G HA3 0.065 4.022 3.960 -0.005 0.000 0.252 224 G C 0.377 175.271 174.900 -0.011 0.000 0.994 224 G CA 0.590 45.685 45.100 -0.007 0.000 0.698 224 G HN 1.567 nan 8.290 nan 0.000 0.521 225 A N -0.494 122.319 122.820 -0.013 0.000 2.302 225 A HA 0.684 5.001 4.320 -0.005 0.000 0.285 225 A C 0.505 178.091 177.584 0.003 0.000 1.105 225 A CA 0.041 52.066 52.037 -0.020 0.000 0.816 225 A CB 0.497 19.478 19.000 -0.032 0.000 1.067 225 A HN 0.575 nan 8.150 nan 0.000 0.489 226 N N 1.235 119.932 118.700 -0.004 0.000 2.895 226 N HA 0.323 5.060 4.740 -0.005 0.000 0.277 226 N C -1.035 174.511 175.510 0.059 0.000 1.185 226 N CA 0.153 53.231 53.050 0.046 0.000 1.106 226 N CB -0.098 38.391 38.487 0.004 0.000 1.422 226 N HN 0.283 nan 8.380 nan 0.000 0.521 227 V N 3.601 123.543 119.914 0.046 0.000 2.427 227 V HA 0.374 4.490 4.120 -0.005 0.000 0.286 227 V C 0.206 176.180 176.094 -0.200 0.000 1.034 227 V CA -0.825 61.452 62.300 -0.038 0.000 0.893 227 V CB 1.210 33.015 31.823 -0.030 0.000 0.982 227 V HN 0.309 nan 8.190 nan 0.000 0.452 228 I N 8.268 128.599 120.570 -0.397 0.000 2.287 228 I HA 0.328 4.495 4.170 -0.005 0.000 0.290 228 I C -2.122 173.711 176.117 -0.473 0.000 1.069 228 I CA -1.875 58.929 61.300 -0.827 0.000 1.237 228 I CB 1.066 38.572 38.000 -0.822 0.000 1.418 228 I HN 0.438 nan 8.210 nan 0.000 0.481 229 P HA 0.214 nan 4.420 nan 0.000 0.285 229 P C -0.845 176.317 177.300 -0.229 0.000 1.259 229 P CA -0.534 62.450 63.100 -0.193 0.000 0.794 229 P CB 1.507 33.158 31.700 -0.082 0.000 0.940 230 L N 4.134 125.234 121.223 -0.206 0.000 2.257 230 L HA 0.279 4.616 4.340 -0.005 0.000 0.290 230 L C 0.945 177.796 176.870 -0.031 0.000 1.044 230 L CA -0.011 54.685 54.840 -0.241 0.000 0.810 230 L CB -0.262 41.544 42.059 -0.423 0.000 1.193 230 L HN 0.335 nan 8.230 nan 0.000 0.425 231 N N 4.410 123.202 118.700 0.152 0.000 3.178 231 N HA 0.036 4.773 4.740 -0.005 0.000 0.300 231 N C 1.193 176.717 175.510 0.024 0.000 1.242 231 N CA -0.057 53.054 53.050 0.101 0.000 1.192 231 N CB 0.162 38.712 38.487 0.105 0.000 1.463 231 N HN 0.447 nan 8.380 nan 0.000 0.539 232 I N 1.720 122.248 120.570 -0.070 0.000 2.163 232 I HA -0.164 4.003 4.170 -0.005 0.000 0.243 232 I C -0.660 175.386 176.117 -0.118 0.000 1.085 232 I CA 1.098 62.278 61.300 -0.200 0.000 1.347 232 I CB -2.026 35.752 38.000 -0.370 0.000 1.044 232 I HN 0.282 nan 8.210 nan 0.000 0.408 233 P HA -0.157 nan 4.420 nan 0.000 0.215 233 P C 2.089 179.371 177.300 -0.030 0.000 1.153 233 P CA 1.097 64.186 63.100 -0.018 0.000 0.853 233 P CB -0.046 31.661 31.700 0.012 0.000 0.788 234 L N -1.107 120.094 121.223 -0.037 0.000 2.109 234 L HA -0.055 4.281 4.340 -0.005 0.000 0.207 234 L C 2.146 178.974 176.870 -0.071 0.000 1.086 234 L CA 1.527 56.343 54.840 -0.039 0.000 0.760 234 L CB -1.555 40.493 42.059 -0.020 0.000 0.910 234 L HN -0.152 nan 8.230 nan 0.000 0.437 235 L N -0.813 120.321 121.223 -0.148 0.000 2.017 235 L HA -0.202 4.135 4.340 -0.005 0.000 0.208 235 L C 2.398 179.272 176.870 0.006 0.000 1.073 235 L CA 1.949 56.689 54.840 -0.168 0.000 0.745 235 L CB -0.677 41.092 42.059 -0.483 0.000 0.894 235 L HN 0.390 nan 8.230 nan 0.000 0.432 236 L N -0.802 120.401 121.223 -0.033 0.000 2.017 236 L HA -0.270 4.067 4.340 -0.005 0.000 0.208 236 L C 2.542 179.398 176.870 -0.022 0.000 1.073 236 L CA 1.647 56.488 54.840 0.002 0.000 0.745 236 L CB -0.343 41.710 42.059 -0.010 0.000 0.894 236 L HN 0.240 nan 8.230 nan 0.000 0.432 237 K N -0.211 120.169 120.400 -0.033 0.000 2.063 237 K HA -0.235 4.082 4.320 -0.005 0.000 0.208 237 K C 1.941 178.487 176.600 -0.090 0.000 1.048 237 K CA 2.100 58.359 56.287 -0.047 0.000 0.928 237 K CB -0.182 32.300 32.500 -0.030 0.000 0.713 237 K HN 0.479 nan 8.250 nan 0.000 0.442 238 E N -0.214 119.926 120.200 -0.099 0.000 2.106 238 E HA -0.129 4.218 4.350 -0.005 0.000 0.192 238 E C 2.204 178.545 176.600 -0.432 0.000 0.984 238 E CA 0.989 57.279 56.400 -0.184 0.000 0.806 238 E CB -0.161 29.480 29.700 -0.099 0.000 0.750 238 E HN 0.464 nan 8.360 nan 0.000 0.458 239 G N 1.004 109.517 108.800 -0.478 0.000 2.440 239 G HA2 -0.276 3.681 3.960 -0.005 0.000 0.218 239 G HA3 -0.276 3.681 3.960 -0.005 0.000 0.218 239 G C 1.560 176.251 174.900 -0.349 0.000 1.154 239 G CA 0.746 45.424 45.100 -0.704 0.000 0.767 239 G HN 0.096 nan 8.290 nan 0.000 0.552 240 M N 0.639 120.125 119.600 -0.190 0.000 2.132 240 M HA 0.031 4.508 4.480 -0.005 0.000 0.263 240 M C 2.985 179.207 176.300 -0.131 0.000 1.065 240 M CA 1.383 56.608 55.300 -0.125 0.000 1.122 240 M CB -0.105 32.447 32.600 -0.081 0.000 1.365 240 M HN 0.317 nan 8.290 nan 0.000 0.411 241 A N -0.307 122.423 122.820 -0.150 0.000 2.014 241 A HA -0.060 4.257 4.320 -0.005 0.000 0.218 241 A C 1.104 178.599 177.584 -0.148 0.000 1.163 241 A CA 1.286 53.250 52.037 -0.122 0.000 0.652 241 A CB -0.190 18.746 19.000 -0.106 0.000 0.808 241 A HN 0.488 nan 8.150 nan 0.000 0.449 242 N N -1.365 117.193 118.700 -0.237 0.000 2.711 242 N HA 0.247 4.984 4.740 -0.005 0.000 0.263 242 N C -2.630 172.693 175.510 -0.311 0.000 1.667 242 N CA -1.624 51.283 53.050 -0.238 0.000 0.785 242 N CB 0.913 39.264 38.487 -0.228 0.000 1.231 242 N HN -0.088 nan 8.380 nan 0.000 0.503 243 P HA -0.038 nan 4.420 nan 0.000 0.217 243 P C 1.115 178.358 177.300 -0.095 0.000 1.150 243 P CA 1.021 64.018 63.100 -0.171 0.000 0.832 243 P CB 0.284 31.929 31.700 -0.092 0.000 0.787 244 A N 0.377 123.152 122.820 -0.075 0.000 2.019 244 A HA -0.183 4.134 4.320 -0.005 0.000 0.219 244 A C 2.336 179.918 177.584 -0.003 0.000 1.164 244 A CA 2.139 54.157 52.037 -0.032 0.000 0.644 244 A CB -1.639 17.344 19.000 -0.029 0.000 0.805 244 A HN 0.362 nan 8.150 nan 0.000 0.449 245 S N -1.720 113.961 115.700 -0.032 0.000 2.481 245 S HA 0.010 4.477 4.470 -0.005 0.000 0.231 245 S C 1.105 175.878 174.600 0.289 0.000 0.996 245 S CA 0.785 59.013 58.200 0.047 0.000 0.942 245 S CB -0.431 62.746 63.200 -0.037 0.000 0.768 245 S HN 0.327 nan 8.310 nan 0.000 0.520 246 F N 1.588 121.510 119.950 -0.048 0.000 2.695 246 F HA 0.459 4.983 4.527 -0.006 0.000 0.303 246 F C 1.973 177.738 175.800 -0.059 0.000 1.091 246 F CA -0.917 57.051 58.000 -0.053 0.000 1.300 246 F CB -0.226 38.732 39.000 -0.070 0.000 1.071 246 F HN 0.391 nan 8.300 nan 0.000 0.578 247 G N 0.970 109.840 108.800 0.118 0.000 2.159 247 G HA2 -0.289 3.667 3.960 -0.005 0.000 0.256 247 G HA3 -0.289 3.667 3.960 -0.005 0.000 0.256 247 G C 0.235 175.123 174.900 -0.020 0.000 0.977 247 G CA 0.076 45.192 45.100 0.027 0.000 0.652 247 G HN 0.271 nan 8.290 nan 0.000 0.531 248 L N 0.603 121.826 121.223 -0.001 0.000 2.421 248 L HA 0.705 5.042 4.340 -0.005 0.000 0.263 248 L C 1.237 178.057 176.870 -0.083 0.000 1.122 248 L CA -0.453 54.354 54.840 -0.055 0.000 0.804 248 L CB 1.185 43.232 42.059 -0.019 0.000 1.150 248 L HN 0.285 nan 8.230 nan 0.000 0.457 249 A N 1.347 124.087 122.820 -0.134 0.000 2.492 249 A HA 0.421 4.737 4.320 -0.005 0.000 0.254 249 A C 0.918 178.491 177.584 -0.018 0.000 1.091 249 A CA 0.300 52.278 52.037 -0.099 0.000 0.768 249 A CB 0.491 19.404 19.000 -0.146 0.000 1.028 249 A HN 0.923 nan 8.150 nan 0.000 0.498 250 A N 2.121 124.940 122.820 -0.001 0.000 2.169 250 A HA 0.071 4.388 4.320 -0.005 0.000 0.212 250 A C 1.121 178.719 177.584 0.024 0.000 1.153 250 A CA 1.218 53.255 52.037 -0.001 0.000 0.756 250 A CB -0.162 18.834 19.000 -0.008 0.000 0.813 250 A HN 0.818 nan 8.150 nan 0.000 0.471 251 D N -1.012 119.422 120.400 0.056 0.000 2.368 251 D HA 0.078 4.715 4.640 -0.005 0.000 0.218 251 D C 0.141 176.491 176.300 0.083 0.000 1.112 251 D CA 0.027 54.067 54.000 0.067 0.000 0.834 251 D CB -0.017 40.829 40.800 0.077 0.000 0.953 251 D HN 0.220 nan 8.370 nan 0.000 0.505 252 Q N 0.414 120.267 119.800 0.089 0.000 2.297 252 Q HA 0.272 4.609 4.340 -0.005 0.000 0.268 252 Q C -0.554 175.491 176.000 0.075 0.000 1.045 252 Q CA -0.721 55.146 55.803 0.106 0.000 0.861 252 Q CB 1.375 30.208 28.738 0.159 0.000 1.344 252 Q HN 0.019 nan 8.270 nan 0.000 0.452 253 N N 1.617 120.368 118.700 0.085 0.000 2.555 253 N HA 0.099 4.835 4.740 -0.005 0.000 0.244 253 N C 0.098 175.645 175.510 0.061 0.000 1.114 253 N CA 0.159 53.252 53.050 0.072 0.000 0.963 253 N CB 0.031 38.579 38.487 0.103 0.000 1.276 253 N HN 0.529 nan 8.380 nan 0.000 0.510 254 L N 2.724 123.964 121.223 0.029 0.000 2.492 254 L HA 0.095 4.432 4.340 -0.005 0.000 0.223 254 L C 1.322 178.261 176.870 0.114 0.000 1.132 254 L CA 0.302 55.183 54.840 0.068 0.000 0.850 254 L CB -0.000 42.078 42.059 0.033 0.000 0.966 254 L HN 0.525 nan 8.230 nan 0.000 0.454 255 I N -0.813 119.701 120.570 -0.094 0.000 3.265 255 I HA 0.097 4.263 4.170 -0.005 0.000 0.282 255 I C 2.154 178.092 176.117 -0.298 0.000 1.207 255 I CA 0.931 62.060 61.300 -0.286 0.000 1.449 255 I CB -1.104 36.372 38.000 -0.873 0.000 1.121 255 I HN 0.146 nan 8.210 nan 0.000 0.442 256 G N 1.014 109.759 108.800 -0.092 0.000 3.126 256 G HA2 0.092 4.048 3.960 -0.005 0.000 0.224 256 G HA3 0.092 4.048 3.960 -0.005 0.000 0.224 256 G C 0.631 175.590 174.900 0.098 0.000 1.142 256 G CA 0.557 45.746 45.100 0.149 0.000 0.759 256 G HN 0.424 nan 8.290 nan 0.000 0.550 257 T N -2.018 112.590 114.554 0.089 0.000 2.916 257 T HA 0.585 4.932 4.350 -0.005 0.000 0.292 257 T C -0.183 174.608 174.700 0.150 0.000 1.055 257 T CA -0.569 61.594 62.100 0.105 0.000 1.009 257 T CB 1.922 70.857 68.868 0.112 0.000 1.118 257 T HN 0.493 nan 8.240 nan 0.000 0.497 258 c N 1.067 119.758 118.600 0.152 0.000 3.108 258 c HA 0.797 5.364 4.570 -0.005 0.000 0.321 258 c C 1.217 175.441 174.090 0.224 0.000 1.357 258 c CA -0.938 55.521 56.329 0.217 0.000 1.562 258 c CB 0.031 42.654 42.510 0.189 0.000 2.003 258 c HN 0.932 nan 8.230 nan 0.000 0.460 259 F N 1.921 121.933 119.950 0.104 0.000 2.219 259 F HA 0.067 4.591 4.527 -0.005 0.000 0.294 259 F C 2.440 178.276 175.800 0.059 0.000 1.086 259 F CA 2.250 60.286 58.000 0.060 0.000 1.330 259 F CB -0.122 38.888 39.000 0.017 0.000 1.047 259 F HN 0.737 nan 8.300 nan 0.000 0.495 260 S N -0.822 114.867 115.700 -0.019 0.000 2.458 260 S HA 0.276 4.743 4.470 -0.005 0.000 0.223 260 S C 1.904 176.462 174.600 -0.070 0.000 1.019 260 S CA 0.587 58.722 58.200 -0.109 0.000 0.937 260 S CB -0.241 63.024 63.200 0.108 0.000 0.788 260 S HN 0.895 nan 8.310 nan 0.000 0.511 261 G N 1.526 110.323 108.800 -0.005 0.000 2.176 261 G HA2 -0.235 3.722 3.960 -0.005 0.000 0.253 261 G HA3 -0.235 3.722 3.960 -0.005 0.000 0.253 261 G C -0.280 174.637 174.900 0.029 0.000 0.979 261 G CA 0.037 45.139 45.100 0.003 0.000 0.641 261 G HN 0.546 nan 8.290 nan 0.000 0.530 262 N N 1.277 120.011 118.700 0.055 0.000 2.421 262 N HA 0.473 5.209 4.740 -0.005 0.000 0.260 262 N C 1.196 176.746 175.510 0.066 0.000 1.173 262 N CA 1.256 54.346 53.050 0.068 0.000 0.960 262 N CB 0.484 39.031 38.487 0.101 0.000 1.273 262 N HN 1.409 nan 8.380 nan 0.000 0.497 263 G N 0.851 109.678 108.800 0.045 0.000 2.147 263 G HA2 -0.243 3.714 3.960 -0.005 0.000 0.244 263 G HA3 -0.243 3.714 3.960 -0.005 0.000 0.244 263 G C 0.120 175.033 174.900 0.022 0.000 1.005 263 G CA 0.106 45.226 45.100 0.033 0.000 0.713 263 G HN 0.971 nan 8.290 nan 0.000 0.515 264 c N -3.146 115.470 118.600 0.026 0.000 3.275 264 c HA 0.696 5.263 4.570 -0.005 0.000 0.345 264 c C 0.182 174.290 174.090 0.029 0.000 1.257 264 c CA -0.247 56.096 56.329 0.022 0.000 1.203 264 c CB 1.118 43.641 42.510 0.022 0.000 1.492 264 c HN 0.750 nan 8.230 nan 0.000 0.484 265 T N 2.929 117.502 114.554 0.033 0.000 2.743 265 T HA 0.227 4.573 4.350 -0.005 0.000 0.290 265 T C 0.336 175.062 174.700 0.043 0.000 0.908 265 T CA 0.346 62.468 62.100 0.035 0.000 1.092 265 T CB 0.080 68.973 68.868 0.042 0.000 0.882 265 T HN 0.795 nan 8.240 nan 0.000 0.531 266 M N 4.610 124.226 119.600 0.026 0.000 2.290 266 M HA -0.030 4.446 4.480 -0.005 0.000 0.356 266 M C 0.818 177.141 176.300 0.038 0.000 1.448 266 M CA 0.062 55.373 55.300 0.017 0.000 0.993 266 M CB 0.197 32.780 32.600 -0.028 0.000 1.934 266 M HN 0.518 nan 8.290 nan 0.000 0.461 267 N N 6.703 125.449 118.700 0.076 0.000 2.411 267 N HA 0.011 4.747 4.740 -0.005 0.000 0.265 267 N C -2.098 173.439 175.510 0.046 0.000 1.266 267 N CA -0.900 52.206 53.050 0.094 0.000 0.889 267 N CB 0.975 39.569 38.487 0.178 0.000 1.069 267 N HN 0.441 nan 8.380 nan 0.000 0.476 268 P HA -0.040 nan 4.420 nan 0.000 0.218 268 P C 0.899 178.159 177.300 -0.067 0.000 1.149 268 P CA 1.248 64.336 63.100 -0.020 0.000 0.817 268 P CB 0.313 32.003 31.700 -0.017 0.000 0.785 269 T N -2.297 112.183 114.554 -0.124 0.000 2.901 269 T HA -0.001 4.346 4.350 -0.005 0.000 0.252 269 T C 0.907 175.366 174.700 -0.401 0.000 1.035 269 T CA 1.191 63.082 62.100 -0.349 0.000 1.142 269 T CB -0.462 68.050 68.868 -0.593 0.000 0.869 269 T HN 0.064 nan 8.240 nan 0.000 0.442 270 Y N 0.938 121.288 120.300 0.083 0.000 2.481 270 Y HA 0.497 5.044 4.550 -0.005 0.000 0.247 270 Y C 1.531 177.560 175.900 0.216 0.000 1.151 270 Y CA -1.342 56.835 58.100 0.128 0.000 1.238 270 Y CB -0.147 38.379 38.460 0.110 0.000 1.179 270 Y HN 0.146 nan 8.280 nan 0.000 0.524 271 G N 0.379 109.298 108.800 0.198 0.000 2.667 271 G HA2 0.087 4.044 3.960 -0.005 0.000 0.250 271 G HA3 0.087 4.044 3.960 -0.005 0.000 0.250 271 G C 1.224 175.974 174.900 -0.250 0.000 1.212 271 G CA -0.367 44.729 45.100 -0.007 0.000 0.874 271 G HN 0.392 nan 8.290 nan 0.000 0.561 272 I N -0.366 119.706 120.570 -0.830 0.000 2.335 272 I HA -0.149 4.018 4.170 -0.005 0.000 0.251 272 I C 0.994 177.003 176.117 -0.181 0.000 1.129 272 I CA 1.069 61.953 61.300 -0.695 0.000 1.402 272 I CB 0.172 37.700 38.000 -0.787 0.000 1.069 272 I HN 0.325 nan 8.210 nan 0.000 0.424 273 N N 0.981 119.594 118.700 -0.145 0.000 2.275 273 N HA 0.186 4.923 4.740 -0.005 0.000 0.236 273 N C 0.295 175.785 175.510 -0.034 0.000 1.154 273 N CA 0.209 53.226 53.050 -0.055 0.000 0.866 273 N CB 0.747 39.205 38.487 -0.049 0.000 1.093 273 N HN 0.305 nan 8.380 nan 0.000 0.515 274 G N 0.166 108.948 108.800 -0.029 0.000 2.621 274 G HA2 0.178 4.135 3.960 -0.005 0.000 0.271 274 G HA3 0.178 4.135 3.960 -0.005 0.000 0.271 274 G C 1.049 175.938 174.900 -0.019 0.000 1.236 274 G CA -0.185 44.899 45.100 -0.026 0.000 0.958 274 G HN 0.166 nan 8.290 nan 0.000 0.512 275 S N -1.321 114.349 115.700 -0.051 0.000 2.382 275 S HA -0.099 4.368 4.470 -0.005 0.000 0.228 275 S C 1.285 175.872 174.600 -0.021 0.000 1.027 275 S CA 1.558 59.732 58.200 -0.043 0.000 0.991 275 S CB -0.371 62.788 63.200 -0.069 0.000 0.823 275 S HN 1.146 nan 8.310 nan 0.000 0.469 276 T N -0.764 113.767 114.554 -0.039 0.000 3.305 276 T HA 0.536 4.883 4.350 -0.005 0.000 0.348 276 T C -3.377 171.418 174.700 0.158 0.000 1.394 276 T CA -2.084 60.044 62.100 0.046 0.000 1.549 276 T CB 1.161 70.050 68.868 0.034 0.000 0.962 276 T HN -0.055 nan 8.240 nan 0.000 0.609 277 P HA 0.375 nan 4.420 nan 0.000 0.264 277 P C -0.504 177.001 177.300 0.343 0.000 1.193 277 P CA 0.394 63.682 63.100 0.313 0.000 0.763 277 P CB 0.384 32.286 31.700 0.337 0.000 0.810 278 D N 4.127 124.719 120.400 0.320 0.000 2.333 278 D HA 0.149 4.786 4.640 -0.005 0.000 0.225 278 D C -2.322 173.845 176.300 -0.221 0.000 1.345 278 D CA -1.770 52.263 54.000 0.056 0.000 0.971 278 D CB 1.224 42.111 40.800 0.145 0.000 1.451 278 D HN -0.001 nan 8.370 nan 0.000 0.561 279 P HA -0.069 nan 4.420 nan 0.000 0.221 279 P C 1.349 178.382 177.300 -0.445 0.000 1.150 279 P CA 0.767 63.250 63.100 -1.028 0.000 0.800 279 P CB 0.172 30.934 31.700 -1.563 0.000 0.787 280 S N -0.635 114.876 115.700 -0.315 0.000 2.474 280 S HA -0.067 4.400 4.470 -0.005 0.000 0.235 280 S C 1.688 176.169 174.600 -0.199 0.000 0.997 280 S CA 0.780 58.860 58.200 -0.199 0.000 0.949 280 S CB -0.834 62.289 63.200 -0.128 0.000 0.766 280 S HN 0.023 nan 8.310 nan 0.000 0.517 281 K N 0.544 120.781 120.400 -0.271 0.000 2.426 281 K HA 0.354 4.670 4.320 -0.005 0.000 0.193 281 K C 0.325 176.773 176.600 -0.252 0.000 1.028 281 K CA 0.137 56.195 56.287 -0.381 0.000 1.047 281 K CB -0.065 31.893 32.500 -0.905 0.000 0.821 281 K HN 0.473 nan 8.250 nan 0.000 0.513 282 L N -0.048 121.086 121.223 -0.148 0.000 2.303 282 L HA 0.262 4.599 4.340 -0.005 0.000 0.266 282 L C 0.962 177.793 176.870 -0.065 0.000 1.011 282 L CA -0.581 54.234 54.840 -0.041 0.000 0.818 282 L CB 1.223 43.327 42.059 0.075 0.000 1.326 282 L HN -0.194 nan 8.230 nan 0.000 0.435 283 L N 0.449 121.640 121.223 -0.053 0.000 2.200 283 L HA 0.320 4.657 4.340 -0.005 0.000 0.200 283 L C 0.021 176.695 176.870 -0.326 0.000 1.072 283 L CA 1.271 55.980 54.840 -0.218 0.000 0.787 283 L CB 0.172 42.053 42.059 -0.296 0.000 0.957 283 L HN 0.247 nan 8.230 nan 0.000 0.459 284 F N 0.034 120.016 119.950 0.053 0.000 2.420 284 F HA 0.280 4.804 4.527 -0.005 0.000 0.342 284 F C 1.363 177.244 175.800 0.135 0.000 1.113 284 F CA -0.401 57.649 58.000 0.083 0.000 1.059 284 F CB 0.905 39.941 39.000 0.061 0.000 1.128 284 F HN -0.034 nan 8.300 nan 0.000 0.475 285 N N 1.036 119.937 118.700 0.335 0.000 2.207 285 N HA -0.085 4.652 4.740 -0.005 0.000 0.182 285 N C 0.106 175.818 175.510 0.337 0.000 1.020 285 N CA 1.478 54.732 53.050 0.340 0.000 0.858 285 N CB 0.127 38.789 38.487 0.292 0.000 0.991 285 N HN 0.735 nan 8.380 nan 0.000 0.427 286 D N -2.216 118.382 120.400 0.329 0.000 3.035 286 D HA 0.164 4.800 4.640 -0.005 0.000 0.248 286 D C 0.820 177.217 176.300 0.161 0.000 1.260 286 D CA 0.208 54.351 54.000 0.239 0.000 1.058 286 D CB -0.258 40.697 40.800 0.257 0.000 1.262 286 D HN 0.006 nan 8.370 nan 0.000 0.633 287 S N -1.083 114.658 115.700 0.070 0.000 2.453 287 S HA -0.031 4.436 4.470 -0.005 0.000 0.231 287 S C 1.647 176.138 174.600 -0.181 0.000 1.005 287 S CA 1.443 59.602 58.200 -0.068 0.000 0.949 287 S CB -0.698 62.471 63.200 -0.052 0.000 0.774 287 S HN 0.841 nan 8.310 nan 0.000 0.510 288 V N -3.144 116.708 119.914 -0.103 0.000 3.359 288 V HA 0.465 4.582 4.120 -0.005 0.000 0.270 288 V C -0.078 176.059 176.094 0.072 0.000 1.583 288 V CA -0.621 61.607 62.300 -0.120 0.000 1.019 288 V CB -0.938 30.701 31.823 -0.306 0.000 0.831 288 V HN 0.400 nan 8.190 nan 0.000 0.426 289 H N 2.912 122.172 119.070 0.316 0.000 2.489 289 H HA 0.623 5.176 4.556 -0.005 0.000 0.322 289 H C -2.763 172.711 175.328 0.243 0.000 1.091 289 H CA -1.907 54.293 56.048 0.253 0.000 1.291 289 H CB 1.429 31.314 29.762 0.205 0.000 1.436 289 H HN 0.240 nan 8.280 nan 0.000 0.480 290 P HA 0.003 nan 4.420 nan 0.000 0.275 290 P C 0.125 177.460 177.300 0.058 0.000 1.227 290 P CA -0.494 62.614 63.100 0.013 0.000 0.781 290 P CB 0.746 32.446 31.700 0.001 0.000 0.906 291 T N 0.072 114.618 114.554 -0.012 0.000 2.667 291 T HA 0.018 4.364 4.350 -0.005 0.000 0.305 291 T C 1.344 176.016 174.700 -0.047 0.000 1.022 291 T CA -0.280 61.797 62.100 -0.039 0.000 0.995 291 T CB -0.026 68.770 68.868 -0.121 0.000 1.026 291 T HN 0.221 nan 8.240 nan 0.000 0.527 292 I N 0.915 121.444 120.570 -0.068 0.000 2.185 292 I HA -0.197 3.970 4.170 -0.005 0.000 0.246 292 I C 2.422 178.504 176.117 -0.058 0.000 1.088 292 I CA 2.123 63.394 61.300 -0.049 0.000 1.347 292 I CB -1.045 36.922 38.000 -0.055 0.000 1.041 292 I HN 0.893 nan 8.210 nan 0.000 0.415 293 T N 0.202 114.703 114.554 -0.087 0.000 2.777 293 T HA -0.067 4.279 4.350 -0.005 0.000 0.266 293 T C 1.754 176.400 174.700 -0.091 0.000 1.040 293 T CA 1.349 63.397 62.100 -0.086 0.000 1.141 293 T CB -0.950 67.862 68.868 -0.095 0.000 0.868 293 T HN 0.607 nan 8.240 nan 0.000 0.444 294 G N 1.065 109.807 108.800 -0.097 0.000 2.422 294 G HA2 -0.186 3.771 3.960 -0.005 0.000 0.218 294 G HA3 -0.186 3.771 3.960 -0.005 0.000 0.218 294 G C 1.605 176.484 174.900 -0.035 0.000 1.140 294 G CA 0.377 45.417 45.100 -0.100 0.000 0.775 294 G HN 0.363 nan 8.290 nan 0.000 0.545 295 Q N 0.363 120.163 119.800 -0.001 0.000 2.119 295 Q HA -0.004 4.333 4.340 -0.005 0.000 0.201 295 Q C 2.720 178.733 176.000 0.022 0.000 0.972 295 Q CA 0.788 56.619 55.803 0.046 0.000 0.847 295 Q CB -0.299 28.464 28.738 0.042 0.000 0.903 295 Q HN 0.479 nan 8.270 nan 0.000 0.433 296 R N -0.036 120.452 120.500 -0.020 0.000 2.092 296 R HA -0.061 4.275 4.340 -0.005 0.000 0.231 296 R C 2.267 178.534 176.300 -0.055 0.000 1.119 296 R CA 0.583 56.663 56.100 -0.034 0.000 0.970 296 R CB -0.270 30.002 30.300 -0.048 0.000 0.864 296 R HN 0.133 nan 8.270 nan 0.000 0.440 297 L N 0.945 122.101 121.223 -0.111 0.000 2.042 297 L HA -0.154 4.183 4.340 -0.005 0.000 0.210 297 L C 2.235 179.047 176.870 -0.097 0.000 1.076 297 L CA 1.584 56.300 54.840 -0.208 0.000 0.749 297 L CB -0.570 41.281 42.059 -0.347 0.000 0.893 297 L HN 0.127 nan 8.230 nan 0.000 0.432 298 I N -1.195 119.361 120.570 -0.022 0.000 2.252 298 I HA -0.278 3.889 4.170 -0.005 0.000 0.245 298 I C 2.529 178.723 176.117 0.128 0.000 1.102 298 I CA 1.104 62.443 61.300 0.065 0.000 1.385 298 I CB -0.452 37.649 38.000 0.168 0.000 1.064 298 I HN 0.209 nan 8.210 nan 0.000 0.414 299 A N 0.523 123.405 122.820 0.103 0.000 1.877 299 A HA -0.236 4.081 4.320 -0.005 0.000 0.216 299 A C 1.975 179.621 177.584 0.103 0.000 1.186 299 A CA 2.099 54.195 52.037 0.098 0.000 0.620 299 A CB -0.634 18.393 19.000 0.045 0.000 0.822 299 A HN 0.320 nan 8.150 nan 0.000 0.443 300 D N -1.713 118.728 120.400 0.070 0.000 2.144 300 D HA -0.142 4.495 4.640 -0.005 0.000 0.199 300 D C 1.677 178.065 176.300 0.147 0.000 0.984 300 D CA 1.355 55.416 54.000 0.101 0.000 0.834 300 D CB -0.430 40.401 40.800 0.051 0.000 0.955 300 D HN 0.529 nan 8.370 nan 0.000 0.465 301 Y N 1.934 122.196 120.300 -0.063 0.000 2.114 301 Y HA -0.220 4.326 4.550 -0.005 0.000 0.284 301 Y C 2.297 178.122 175.900 -0.125 0.000 1.143 301 Y CA 1.612 59.638 58.100 -0.123 0.000 1.135 301 Y CB -0.796 37.563 38.460 -0.169 0.000 0.980 301 Y HN -0.087 nan 8.280 nan 0.000 0.499 302 T N -0.141 114.322 114.554 -0.151 0.000 2.746 302 T HA -0.255 4.092 4.350 -0.005 0.000 0.267 302 T C 1.622 176.235 174.700 -0.145 0.000 1.039 302 T CA 1.769 63.729 62.100 -0.233 0.000 1.142 302 T CB -0.909 67.951 68.868 -0.014 0.000 0.866 302 T HN 0.516 nan 8.240 nan 0.000 0.444 303 Y N 2.431 122.656 120.300 -0.125 0.000 2.224 303 Y HA -0.203 4.344 4.550 -0.005 0.000 0.289 303 Y C 2.770 178.532 175.900 -0.230 0.000 1.146 303 Y CA 1.475 59.511 58.100 -0.107 0.000 1.182 303 Y CB -0.421 38.039 38.460 0.001 0.000 0.983 303 Y HN 0.308 nan 8.280 nan 0.000 0.524 304 S N -0.666 114.924 115.700 -0.184 0.000 2.382 304 S HA -0.169 4.298 4.470 -0.005 0.000 0.228 304 S C 1.873 176.154 174.600 -0.532 0.000 1.027 304 S CA 1.369 59.275 58.200 -0.491 0.000 0.991 304 S CB -0.799 61.796 63.200 -1.008 0.000 0.823 304 S HN 0.310 nan 8.310 nan 0.000 0.469 305 L N 0.697 121.652 121.223 -0.447 0.000 2.056 305 L HA 0.195 4.532 4.340 -0.005 0.000 0.207 305 L C 2.392 179.049 176.870 -0.354 0.000 1.078 305 L CA 1.151 55.783 54.840 -0.347 0.000 0.749 305 L CB -1.410 40.422 42.059 -0.379 0.000 0.901 305 L HN 0.312 nan 8.230 nan 0.000 0.433 306 L N -0.698 120.247 121.223 -0.464 0.000 2.217 306 L HA -0.082 4.254 4.340 -0.005 0.000 0.211 306 L C 2.507 178.678 176.870 -1.165 0.000 1.107 306 L CA 1.681 56.199 54.840 -0.536 0.000 0.783 306 L CB -1.083 40.754 42.059 -0.370 0.000 0.919 306 L HN 0.456 nan 8.230 nan 0.000 0.442 307 S N -2.004 112.871 115.700 -1.374 0.000 2.548 307 S HA 0.138 4.605 4.470 -0.005 0.000 0.215 307 S C 2.055 176.087 174.600 -0.947 0.000 0.976 307 S CA 0.347 57.378 58.200 -1.947 0.000 0.908 307 S CB -0.089 62.344 63.200 -1.278 0.000 0.781 307 S HN 0.233 nan 8.310 nan 0.000 0.519 308 A N 3.735 126.208 122.820 -0.578 0.000 1.865 308 A HA 0.043 4.360 4.320 -0.005 0.000 0.217 308 A C 0.311 177.770 177.584 -0.208 0.000 1.191 308 A CA 1.565 53.467 52.037 -0.224 0.000 0.623 308 A CB -1.757 17.212 19.000 -0.052 0.000 0.826 308 A HN 0.597 nan 8.150 nan 0.000 0.444 309 P HA -0.144 nan 4.420 nan 0.000 0.222 309 P C 0.753 178.047 177.300 -0.010 0.000 1.147 309 P CA 0.836 63.859 63.100 -0.129 0.000 0.790 309 P CB -0.295 31.368 31.700 -0.061 0.000 0.780 310 W N 0.889 122.137 121.300 -0.086 0.000 2.525 310 W HA 0.035 4.692 4.660 -0.006 0.000 0.259 310 W C 1.809 178.271 176.519 -0.095 0.000 1.253 310 W CA 0.401 57.694 57.345 -0.086 0.000 1.262 310 W CB -1.229 28.188 29.460 -0.072 0.000 1.122 310 W HN 0.224 nan 8.180 nan 0.000 0.607 311 E N -0.801 119.437 120.200 0.063 0.000 2.175 311 E HA -0.019 4.327 4.350 -0.005 0.000 0.195 311 E C 2.255 178.665 176.600 -0.316 0.000 0.934 311 E CA -0.092 56.273 56.400 -0.059 0.000 0.870 311 E CB -0.419 29.340 29.700 0.098 0.000 0.838 311 E HN -0.141 nan 8.360 nan 0.000 0.474 312 L N 1.256 122.274 121.223 -0.343 0.000 2.189 312 L HA -0.150 4.187 4.340 -0.005 0.000 0.214 312 L C 2.317 178.947 176.870 -0.400 0.000 1.097 312 L CA 1.671 56.213 54.840 -0.497 0.000 0.764 312 L CB -0.885 40.784 42.059 -0.649 0.000 0.900 312 L HN 0.256 nan 8.230 nan 0.000 0.436 313 T N -1.132 113.260 114.554 -0.269 0.000 3.113 313 T HA -0.016 4.331 4.350 -0.005 0.000 0.256 313 T C 1.635 176.161 174.700 -0.291 0.000 1.131 313 T CA 0.025 62.005 62.100 -0.201 0.000 1.074 313 T CB 0.186 69.016 68.868 -0.065 0.000 0.944 313 T HN 0.005 nan 8.240 nan 0.000 0.516 314 L N 0.879 121.870 121.223 -0.387 0.000 2.492 314 L HA 0.334 4.670 4.340 -0.005 0.000 0.223 314 L C 1.993 178.587 176.870 -0.460 0.000 1.132 314 L CA 0.872 55.378 54.840 -0.556 0.000 0.850 314 L CB -0.635 41.106 42.059 -0.529 0.000 0.966 314 L HN 0.344 nan 8.230 nan 0.000 0.454 315 L N 0.021 120.997 121.223 -0.412 0.000 2.017 315 L HA -0.168 4.169 4.340 -0.005 0.000 0.208 315 L C -0.128 176.640 176.870 -0.170 0.000 1.073 315 L CA 1.355 55.988 54.840 -0.344 0.000 0.745 315 L CB -1.883 39.813 42.059 -0.605 0.000 0.894 315 L HN 0.223 nan 8.230 nan 0.000 0.432 316 P HA -0.150 nan 4.420 nan 0.000 0.218 316 P C 1.217 178.497 177.300 -0.033 0.000 1.148 316 P CA 1.093 64.142 63.100 -0.085 0.000 0.822 316 P CB 0.019 31.678 31.700 -0.068 0.000 0.784 317 E N -1.185 118.911 120.200 -0.174 0.000 2.274 317 E HA -0.041 4.306 4.350 -0.005 0.000 0.194 317 E C 1.911 178.523 176.600 0.020 0.000 0.996 317 E CA 0.875 57.171 56.400 -0.173 0.000 0.840 317 E CB -0.669 28.608 29.700 -0.705 0.000 0.772 317 E HN 0.391 nan 8.360 nan 0.000 0.491 318 M N 0.108 119.707 119.600 -0.001 0.000 2.132 318 M HA -0.072 4.405 4.480 -0.005 0.000 0.263 318 M C 2.339 178.645 176.300 0.009 0.000 1.065 318 M CA 1.600 56.946 55.300 0.075 0.000 1.122 318 M CB -0.265 32.393 32.600 0.097 0.000 1.365 318 M HN 0.071 nan 8.290 nan 0.000 0.411 319 A N -0.514 122.284 122.820 -0.036 0.000 1.898 319 A HA -0.163 4.153 4.320 -0.005 0.000 0.216 319 A C 1.880 179.349 177.584 -0.193 0.000 1.181 319 A CA 1.320 53.266 52.037 -0.153 0.000 0.620 319 A CB -1.057 17.833 19.000 -0.183 0.000 0.819 319 A HN 0.450 nan 8.150 nan 0.000 0.442 320 H N -0.419 118.588 119.070 -0.105 0.000 2.387 320 H HA -0.135 4.418 4.556 -0.006 0.000 0.299 320 H C 2.453 177.724 175.328 -0.096 0.000 1.099 320 H CA 1.470 57.453 56.048 -0.109 0.000 1.315 320 H CB -0.597 29.107 29.762 -0.097 0.000 1.380 320 H HN 0.512 nan 8.280 nan 0.000 0.513 321 G N 0.414 109.249 108.800 0.059 0.000 2.433 321 G HA2 -0.296 3.661 3.960 -0.005 0.000 0.216 321 G HA3 -0.296 3.661 3.960 -0.005 0.000 0.216 321 G C 1.968 176.828 174.900 -0.066 0.000 1.186 321 G CA 2.020 47.123 45.100 0.005 0.000 0.779 321 G HN 0.538 nan 8.290 nan 0.000 0.543 322 T N -0.284 114.199 114.554 -0.119 0.000 2.867 322 T HA -0.047 4.300 4.350 -0.005 0.000 0.268 322 T C 2.325 176.769 174.700 -0.428 0.000 1.057 322 T CA 1.261 63.202 62.100 -0.265 0.000 1.136 322 T CB -0.253 68.439 68.868 -0.293 0.000 0.874 322 T HN 0.124 nan 8.240 nan 0.000 0.466 323 L N 1.191 122.241 121.223 -0.288 0.000 2.046 323 L HA 0.105 4.441 4.340 -0.005 0.000 0.208 323 L C 2.663 179.473 176.870 -0.100 0.000 1.077 323 L CA 1.614 56.328 54.840 -0.209 0.000 0.747 323 L CB -0.593 41.363 42.059 -0.172 0.000 0.896 323 L HN 0.100 nan 8.230 nan 0.000 0.432 324 R N -0.677 119.767 120.500 -0.093 0.000 2.115 324 R HA 0.023 4.360 4.340 -0.005 0.000 0.226 324 R C 2.243 178.489 176.300 -0.090 0.000 1.100 324 R CA 0.992 57.045 56.100 -0.079 0.000 0.980 324 R CB -0.460 29.800 30.300 -0.067 0.000 0.875 324 R HN 0.545 nan 8.270 nan 0.000 0.445 325 A N 0.309 123.080 122.820 -0.081 0.000 1.897 325 A HA -0.194 4.123 4.320 -0.005 0.000 0.215 325 A C 1.904 179.500 177.584 0.021 0.000 1.181 325 A CA 0.948 52.978 52.037 -0.012 0.000 0.620 325 A CB -0.671 18.385 19.000 0.094 0.000 0.821 325 A HN 0.419 nan 8.150 nan 0.000 0.443 326 Y N 0.867 121.025 120.300 -0.237 0.000 2.114 326 Y HA -0.308 4.239 4.550 -0.006 0.000 0.282 326 Y C 2.436 178.230 175.900 -0.177 0.000 1.165 326 Y CA 2.457 60.435 58.100 -0.203 0.000 1.148 326 Y CB -0.585 37.594 38.460 -0.468 0.000 0.972 326 Y HN 0.451 nan 8.280 nan 0.000 0.504 327 Q N -0.353 119.277 119.800 -0.284 0.000 2.119 327 Q HA -0.187 4.150 4.340 -0.005 0.000 0.201 327 Q C 1.809 177.562 176.000 -0.412 0.000 0.972 327 Q CA 1.485 57.043 55.803 -0.409 0.000 0.847 327 Q CB -0.140 28.465 28.738 -0.222 0.000 0.903 327 Q HN 0.498 nan 8.270 nan 0.000 0.433 328 D N 0.577 120.821 120.400 -0.260 0.000 2.144 328 D HA -0.172 4.465 4.640 -0.005 0.000 0.199 328 D C 1.535 177.674 176.300 -0.268 0.000 0.984 328 D CA 1.019 54.885 54.000 -0.223 0.000 0.834 328 D CB -0.040 40.681 40.800 -0.130 0.000 0.955 328 D HN 0.301 nan 8.370 nan 0.000 0.465 329 E N -0.429 119.617 120.200 -0.256 0.000 2.106 329 E HA -0.123 4.224 4.350 -0.005 0.000 0.192 329 E C 1.915 178.231 176.600 -0.473 0.000 0.984 329 E CA 0.327 56.577 56.400 -0.250 0.000 0.806 329 E CB 0.109 29.750 29.700 -0.097 0.000 0.750 329 E HN 0.049 nan 8.360 nan 0.000 0.458 330 L N 0.626 121.442 121.223 -0.679 0.000 2.056 330 L HA -0.098 4.239 4.340 -0.005 0.000 0.207 330 L C 2.461 178.527 176.870 -1.339 0.000 1.078 330 L CA 1.506 55.718 54.840 -1.047 0.000 0.749 330 L CB -0.499 40.832 42.059 -1.213 0.000 0.901 330 L HN 0.027 nan 8.230 nan 0.000 0.433 331 R N -1.336 118.541 120.500 -1.038 0.000 2.120 331 R HA -0.146 4.191 4.340 -0.005 0.000 0.234 331 R C 2.502 178.527 176.300 -0.458 0.000 1.123 331 R CA 1.359 57.008 56.100 -0.751 0.000 0.975 331 R CB -0.160 29.886 30.300 -0.424 0.000 0.866 331 R HN 0.257 nan 8.270 nan 0.000 0.446 332 S N 0.059 115.532 115.700 -0.379 0.000 2.368 332 S HA -0.132 4.335 4.470 -0.005 0.000 0.225 332 S C 1.795 176.195 174.600 -0.333 0.000 1.030 332 S CA 1.062 59.149 58.200 -0.188 0.000 0.999 332 S CB 0.001 63.153 63.200 -0.080 0.000 0.844 332 S HN 0.363 nan 8.310 nan 0.000 0.459 333 Q N -0.277 119.236 119.800 -0.479 0.000 2.084 333 Q HA -0.100 4.237 4.340 -0.005 0.000 0.202 333 Q C 1.940 177.810 176.000 -0.217 0.000 0.978 333 Q CA 1.102 56.633 55.803 -0.454 0.000 0.844 333 Q CB -0.423 27.851 28.738 -0.774 0.000 0.898 333 Q HN 0.677 nan 8.270 nan 0.000 0.426 334 W N 1.630 122.710 121.300 -0.367 0.000 2.388 334 W HA -0.067 4.590 4.660 -0.005 0.000 0.294 334 W C 2.072 178.387 176.519 -0.340 0.000 1.212 334 W CA 0.526 57.690 57.345 -0.301 0.000 1.271 334 W CB -0.774 28.479 29.460 -0.344 0.000 1.126 334 W HN 0.326 nan 8.180 nan 0.000 0.535 335 Q N -0.360 119.284 119.800 -0.261 0.000 2.123 335 Q HA -0.052 4.285 4.340 -0.005 0.000 0.199 335 Q C 2.380 177.976 176.000 -0.673 0.000 0.966 335 Q CA 1.546 57.082 55.803 -0.445 0.000 0.845 335 Q CB -0.469 27.956 28.738 -0.521 0.000 0.907 335 Q HN 0.178 nan 8.270 nan 0.000 0.439 336 A N 1.246 123.552 122.820 -0.856 0.000 2.015 336 A HA -0.169 4.147 4.320 -0.005 0.000 0.219 336 A C 1.339 178.822 177.584 -0.167 0.000 1.163 336 A CA 1.527 53.237 52.037 -0.546 0.000 0.646 336 A CB -0.092 18.716 19.000 -0.319 0.000 0.806 336 A HN 0.195 nan 8.150 nan 0.000 0.448 337 D N -2.229 118.135 120.400 -0.059 0.000 2.354 337 D HA -0.000 4.636 4.640 -0.005 0.000 0.209 337 D C 0.272 176.640 176.300 0.114 0.000 1.015 337 D CA -0.136 53.939 54.000 0.126 0.000 0.867 337 D CB -0.237 40.730 40.800 0.278 0.000 0.933 337 D HN 0.566 nan 8.370 nan 0.000 0.520 338 W N 3.408 124.557 121.300 -0.251 0.000 2.385 338 W HA -0.030 4.627 4.660 -0.006 0.000 0.336 338 W C 0.458 176.653 176.519 -0.541 0.000 1.351 338 W CA 0.003 57.081 57.345 -0.445 0.000 1.295 338 W CB 0.032 29.184 29.460 -0.512 0.000 1.239 338 W HN -0.004 nan 8.180 nan 0.000 0.565 339 E N 3.342 123.193 120.200 -0.581 0.000 2.297 339 E HA -0.355 3.992 4.350 -0.005 0.000 0.228 339 E C -0.103 176.199 176.600 -0.497 0.000 1.213 339 E CA 1.375 57.313 56.400 -0.770 0.000 0.712 339 E CB -1.681 27.246 29.700 -1.288 0.000 1.202 339 E HN 0.576 nan 8.360 nan 0.000 0.376 340 N N -0.731 117.755 118.700 -0.356 0.000 2.815 340 N HA -0.010 4.727 4.740 -0.005 0.000 0.212 340 N C -1.016 174.544 175.510 0.085 0.000 1.306 340 N CA -0.279 52.693 53.050 -0.129 0.000 1.744 340 N CB 0.038 38.461 38.487 -0.107 0.000 1.438 340 N HN 0.058 nan 8.380 nan 0.000 0.632 341 W N 2.209 123.456 121.300 -0.089 0.000 2.093 341 W HA 0.308 4.965 4.660 -0.006 0.000 0.352 341 W C 1.370 177.862 176.519 -0.045 0.000 1.294 341 W CA -0.426 56.883 57.345 -0.060 0.000 1.290 341 W CB 0.172 29.583 29.460 -0.081 0.000 1.149 341 W HN 0.209 nan 8.180 nan 0.000 0.606 342 Q N 1.717 121.631 119.800 0.190 0.000 2.631 342 Q HA 0.049 4.385 4.340 -0.005 0.000 0.210 342 Q C 0.071 176.107 176.000 0.060 0.000 1.094 342 Q CA 0.008 55.867 55.803 0.092 0.000 1.055 342 Q CB -0.084 28.688 28.738 0.057 0.000 1.261 342 Q HN 0.356 nan 8.270 nan 0.000 0.615 343 N N -0.352 118.363 118.700 0.024 0.000 2.415 343 N HA 0.095 4.832 4.740 -0.005 0.000 0.248 343 N C -0.266 175.204 175.510 -0.067 0.000 1.271 343 N CA -0.228 52.822 53.050 0.000 0.000 0.913 343 N CB 0.410 38.903 38.487 0.009 0.000 1.129 343 N HN 0.377 nan 8.380 nan 0.000 0.444 344 V N 0.741 120.618 119.914 -0.062 0.000 2.814 344 V HA 0.106 4.223 4.120 -0.005 0.000 0.307 344 V C 1.633 177.621 176.094 -0.177 0.000 1.089 344 V CA 1.282 63.505 62.300 -0.130 0.000 1.212 344 V CB 0.108 31.900 31.823 -0.052 0.000 0.912 344 V HN 1.026 nan 8.190 nan 0.000 0.497 345 G N 2.989 111.564 108.800 -0.375 0.000 2.184 345 G HA2 -0.287 3.670 3.960 -0.005 0.000 0.264 345 G HA3 -0.287 3.670 3.960 -0.005 0.000 0.264 345 G C 0.217 175.001 174.900 -0.193 0.000 0.975 345 G CA 0.610 45.555 45.100 -0.258 0.000 0.642 345 G HN 0.791 nan 8.290 nan 0.000 0.536 346 Q N -0.948 118.669 119.800 -0.305 0.000 2.235 346 Q HA 0.542 4.879 4.340 -0.005 0.000 0.256 346 Q C -0.687 175.237 176.000 -0.128 0.000 0.951 346 Q CA -1.112 54.652 55.803 -0.064 0.000 0.890 346 Q CB 0.887 29.642 28.738 0.028 0.000 1.279 346 Q HN 0.323 nan 8.270 nan 0.000 0.444 347 W N 2.649 124.070 121.300 0.201 0.000 2.365 347 W HA 0.389 5.045 4.660 -0.006 0.000 0.316 347 W C 0.075 176.776 176.519 0.304 0.000 1.164 347 W CA -0.397 57.087 57.345 0.232 0.000 1.204 347 W CB 1.000 30.558 29.460 0.164 0.000 1.213 347 W HN 0.435 nan 8.180 nan 0.000 0.539 348 R N 2.576 123.383 120.500 0.512 0.000 2.409 348 R HA 0.648 4.985 4.340 -0.005 0.000 0.313 348 R C -0.157 176.465 176.300 0.537 0.000 0.953 348 R CA -0.472 55.913 56.100 0.475 0.000 0.849 348 R CB 0.684 31.165 30.300 0.301 0.000 1.171 348 R HN 0.674 nan 8.270 nan 0.000 0.458 349 G N 3.239 112.397 108.800 0.598 0.000 2.454 349 G HA2 0.660 4.616 3.960 -0.005 0.000 0.329 349 G HA3 0.660 4.616 3.960 -0.005 0.000 0.329 349 G C -1.253 173.892 174.900 0.409 0.000 1.177 349 G CA -0.744 44.617 45.100 0.436 0.000 0.951 349 G HN 0.537 nan 8.290 nan 0.000 0.485 350 F N -0.826 119.263 119.950 0.232 0.000 2.619 350 F HA 0.796 5.320 4.527 -0.006 0.000 0.308 350 F C -1.116 174.770 175.800 0.144 0.000 1.097 350 F CA -1.487 56.610 58.000 0.163 0.000 0.953 350 F CB 1.717 40.787 39.000 0.117 0.000 1.287 350 F HN 0.436 nan 8.300 nan 0.000 0.446 351 V N 1.267 121.354 119.914 0.289 0.000 2.876 351 V HA 1.017 5.134 4.120 -0.005 0.000 0.312 351 V C -0.089 176.155 176.094 0.250 0.000 1.085 351 V CA -0.171 62.262 62.300 0.222 0.000 0.945 351 V CB 1.449 33.355 31.823 0.139 0.000 1.017 351 V HN 1.415 nan 8.190 nan 0.000 0.428 352 G N 0.920 109.856 108.800 0.227 0.000 2.495 352 G HA2 0.796 4.752 3.960 -0.005 0.000 0.294 352 G HA3 0.796 4.752 3.960 -0.005 0.000 0.294 352 G C -0.699 174.283 174.900 0.136 0.000 1.397 352 G CA 0.202 45.401 45.100 0.165 0.000 0.790 352 G HN 1.258 nan 8.290 nan 0.000 0.486 353 G N -2.319 106.536 108.800 0.092 0.000 2.619 353 G HA2 1.032 4.989 3.960 -0.005 0.000 0.305 353 G HA3 1.032 4.989 3.960 -0.005 0.000 0.305 353 G C -0.242 174.686 174.900 0.047 0.000 1.330 353 G CA 0.440 45.576 45.100 0.060 0.000 0.789 353 G HN 2.163 nan 8.290 nan 0.000 0.487 354 G N -2.276 106.544 108.800 0.033 0.000 2.325 354 G HA2 0.679 4.636 3.960 -0.005 0.000 0.295 354 G HA3 0.679 4.636 3.960 -0.005 0.000 0.295 354 G C -0.568 174.372 174.900 0.065 0.000 1.274 354 G CA 0.453 45.585 45.100 0.054 0.000 0.857 354 G HN 1.682 nan 8.290 nan 0.000 0.499 355 G N -0.707 108.144 108.800 0.086 0.000 2.537 355 G HA2 0.753 4.709 3.960 -0.005 0.000 0.308 355 G HA3 0.753 4.709 3.960 -0.005 0.000 0.308 355 G C -0.867 174.091 174.900 0.097 0.000 1.237 355 G CA -0.150 45.012 45.100 0.102 0.000 0.968 355 G HN 0.963 nan 8.290 nan 0.000 0.481 356 Q N -0.157 119.699 119.800 0.092 0.000 2.416 356 Q HA 0.579 4.915 4.340 -0.005 0.000 0.281 356 Q C -1.524 174.512 176.000 0.060 0.000 1.067 356 Q CA -1.068 54.782 55.803 0.080 0.000 0.809 356 Q CB 2.763 31.560 28.738 0.098 0.000 1.418 356 Q HN 0.660 nan 8.270 nan 0.000 0.411 357 R N 1.626 122.147 120.500 0.035 0.000 2.621 357 R HA 0.633 4.970 4.340 -0.005 0.000 0.292 357 R C -1.453 174.810 176.300 -0.061 0.000 0.969 357 R CA -0.649 55.458 56.100 0.011 0.000 0.887 357 R CB 1.252 31.572 30.300 0.033 0.000 1.180 357 R HN 0.518 nan 8.270 nan 0.000 0.450 358 L N 2.918 124.087 121.223 -0.090 0.000 2.329 358 L HA 0.470 4.807 4.340 -0.005 0.000 0.279 358 L C -0.796 175.887 176.870 -0.311 0.000 1.014 358 L CA -0.228 54.458 54.840 -0.256 0.000 0.814 358 L CB 1.804 43.756 42.059 -0.178 0.000 1.257 358 L HN 0.648 nan 8.230 nan 0.000 0.424 359 D N 3.158 123.237 120.400 -0.534 0.000 2.386 359 D HA 0.283 4.920 4.640 -0.005 0.000 0.247 359 D C -1.487 174.533 176.300 -0.467 0.000 1.336 359 D CA -0.158 53.636 54.000 -0.344 0.000 0.976 359 D CB 0.795 41.491 40.800 -0.173 0.000 1.257 359 D HN 0.094 nan 8.370 nan 0.000 0.570 360 F N 1.668 121.615 119.950 -0.005 0.000 2.420 360 F HA 0.309 4.833 4.527 -0.006 0.000 0.342 360 F C 1.014 176.805 175.800 -0.015 0.000 1.113 360 F CA -0.777 57.223 58.000 0.001 0.000 1.059 360 F CB 1.157 40.174 39.000 0.028 0.000 1.128 360 F HN 0.024 nan 8.300 nan 0.000 0.475 361 D N 0.939 121.388 120.400 0.081 0.000 2.283 361 D HA 0.180 4.817 4.640 -0.005 0.000 0.248 361 D C -0.104 176.282 176.300 0.144 0.000 1.072 361 D CA -0.136 53.837 54.000 -0.044 0.000 0.929 361 D CB 1.417 41.802 40.800 -0.692 0.000 1.182 361 D HN 0.509 nan 8.370 nan 0.000 0.433 362 S N 1.052 116.885 115.700 0.222 0.000 2.563 362 S HA 0.128 4.595 4.470 -0.005 0.000 0.284 362 S C 0.153 174.862 174.600 0.181 0.000 1.331 362 S CA -0.326 57.991 58.200 0.195 0.000 1.047 362 S CB 1.022 64.364 63.200 0.236 0.000 0.859 362 S HN 0.382 nan 8.310 nan 0.000 0.514 363 Q N 0.489 120.183 119.800 -0.176 0.000 2.962 363 Q HA 0.368 4.705 4.340 -0.005 0.000 0.282 363 Q C 0.137 175.505 176.000 -1.054 0.000 1.058 363 Q CA -1.064 54.463 55.803 -0.461 0.000 0.854 363 Q CB 0.597 29.166 28.738 -0.282 0.000 1.441 363 Q HN 0.578 nan 8.270 nan 0.000 0.497 364 D N 0.470 120.345 120.400 -0.876 0.000 2.117 364 D HA -0.092 4.545 4.640 -0.005 0.000 0.197 364 D C 0.749 176.608 176.300 -0.735 0.000 0.987 364 D CA 1.574 55.117 54.000 -0.762 0.000 0.829 364 D CB 0.091 40.636 40.800 -0.425 0.000 0.961 364 D HN 0.437 nan 8.370 nan 0.000 0.460 365 S N -1.181 114.168 115.700 -0.585 0.000 2.751 365 S HA 0.682 5.149 4.470 -0.005 0.000 0.247 365 S C -0.018 174.384 174.600 -0.330 0.000 1.103 365 S CA -0.714 57.154 58.200 -0.554 0.000 1.090 365 S CB 1.096 64.170 63.200 -0.210 0.000 0.928 365 S HN 0.226 nan 8.310 nan 0.000 0.502 366 A N 1.023 123.614 122.820 -0.382 0.000 2.455 366 A HA 0.892 5.209 4.320 -0.005 0.000 0.300 366 A C -0.098 177.446 177.584 -0.066 0.000 1.040 366 A CA -0.562 51.424 52.037 -0.085 0.000 0.697 366 A CB 1.050 20.077 19.000 0.045 0.000 1.265 366 A HN 0.812 nan 8.150 nan 0.000 0.407 367 A N 1.549 124.428 122.820 0.099 0.000 2.407 367 A HA 0.588 4.904 4.320 -0.005 0.000 0.248 367 A C 0.952 178.617 177.584 0.135 0.000 1.082 367 A CA 0.470 52.595 52.037 0.147 0.000 0.785 367 A CB -0.114 19.029 19.000 0.239 0.000 1.020 367 A HN 2.149 nan 8.150 nan 0.000 0.489 368 S N 1.085 116.881 115.700 0.159 0.000 2.585 368 S HA 0.634 5.100 4.470 -0.005 0.000 0.273 368 S C 0.257 174.978 174.600 0.201 0.000 1.339 368 S CA 0.151 58.461 58.200 0.182 0.000 1.028 368 S CB 0.913 64.210 63.200 0.162 0.000 0.906 368 S HN 2.054 nan 8.310 nan 0.000 0.528 369 G N 1.109 110.055 108.800 0.245 0.000 2.601 369 G HA2 0.572 4.528 3.960 -0.005 0.000 0.291 369 G HA3 0.572 4.528 3.960 -0.005 0.000 0.291 369 G C -2.113 172.936 174.900 0.248 0.000 1.456 369 G CA -0.494 44.758 45.100 0.255 0.000 0.804 369 G HN 1.080 nan 8.290 nan 0.000 0.499 370 D N -1.823 118.689 120.400 0.187 0.000 2.623 370 D HA 0.739 5.375 4.640 -0.005 0.000 0.241 370 D C -0.177 176.189 176.300 0.110 0.000 1.241 370 D CA -0.234 53.834 54.000 0.113 0.000 0.788 370 D CB 1.655 42.494 40.800 0.065 0.000 1.413 370 D HN 1.352 nan 8.370 nan 0.000 0.429 371 G N -0.010 108.835 108.800 0.075 0.000 2.442 371 G HA2 0.410 4.367 3.960 -0.005 0.000 0.296 371 G HA3 0.410 4.367 3.960 -0.005 0.000 0.296 371 G C -1.758 173.177 174.900 0.059 0.000 1.564 371 G CA -0.987 44.161 45.100 0.079 0.000 0.828 371 G HN 0.462 nan 8.290 nan 0.000 0.571 372 N N -0.741 117.998 118.700 0.065 0.000 2.472 372 N HA 0.826 5.563 4.740 -0.005 0.000 0.289 372 N C 0.293 175.843 175.510 0.066 0.000 1.156 372 N CA 0.304 53.395 53.050 0.068 0.000 0.940 372 N CB 2.057 40.591 38.487 0.079 0.000 1.200 372 N HN 1.017 nan 8.380 nan 0.000 0.511 373 G N -0.636 108.204 108.800 0.067 0.000 2.682 373 G HA2 0.609 4.566 3.960 -0.005 0.000 0.290 373 G HA3 0.609 4.566 3.960 -0.005 0.000 0.290 373 G C -1.932 173.012 174.900 0.073 0.000 1.425 373 G CA -0.557 44.553 45.100 0.018 0.000 0.807 373 G HN 0.517 nan 8.290 nan 0.000 0.482 374 Y N -1.056 119.227 120.300 -0.029 0.000 2.669 374 Y HA 0.840 5.387 4.550 -0.005 0.000 0.335 374 Y C -0.687 175.078 175.900 -0.224 0.000 1.116 374 Y CA -1.623 56.427 58.100 -0.084 0.000 1.081 374 Y CB 1.715 40.143 38.460 -0.054 0.000 1.297 374 Y HN 0.887 nan 8.280 nan 0.000 0.484 375 N N 0.274 118.920 118.700 -0.091 0.000 2.598 375 N HA 0.530 5.266 4.740 -0.005 0.000 0.263 375 N C -2.614 172.813 175.510 -0.140 0.000 1.254 375 N CA -0.876 51.883 53.050 -0.485 0.000 0.863 375 N CB 2.263 39.839 38.487 -1.518 0.000 1.586 375 N HN 0.963 nan 8.380 nan 0.000 0.491 376 L N 0.384 121.581 121.223 -0.043 0.000 2.356 376 L HA 0.799 5.135 4.340 -0.005 0.000 0.277 376 L C -1.279 175.723 176.870 0.220 0.000 0.996 376 L CA 0.158 55.090 54.840 0.155 0.000 0.822 376 L CB 1.857 44.078 42.059 0.270 0.000 1.256 376 L HN 0.826 nan 8.230 nan 0.000 0.413 377 T N 6.157 120.840 114.554 0.216 0.000 2.886 377 T HA 0.792 5.139 4.350 -0.005 0.000 0.292 377 T C -0.982 173.889 174.700 0.284 0.000 1.012 377 T CA -0.419 61.846 62.100 0.275 0.000 0.982 377 T CB 1.499 70.564 68.868 0.329 0.000 1.018 377 T HN 0.617 nan 8.240 nan 0.000 0.451 378 L N 0.053 121.392 121.223 0.194 0.000 2.359 378 L HA 1.117 5.453 4.340 -0.005 0.000 0.256 378 L C -0.085 176.568 176.870 -0.362 0.000 1.026 378 L CA -0.835 53.962 54.840 -0.071 0.000 0.828 378 L CB 1.416 43.471 42.059 -0.006 0.000 1.406 378 L HN 0.903 nan 8.230 nan 0.000 0.413 379 G N -1.731 106.420 108.800 -1.082 0.000 2.430 379 G HA2 0.718 4.675 3.960 -0.005 0.000 0.300 379 G HA3 0.718 4.675 3.960 -0.005 0.000 0.300 379 G C -1.447 173.076 174.900 -0.629 0.000 1.330 379 G CA -0.179 44.464 45.100 -0.761 0.000 0.813 379 G HN 1.216 nan 8.290 nan 0.000 0.487 380 G N -0.818 108.003 108.800 0.034 0.000 2.768 380 G HA2 0.716 4.672 3.960 -0.005 0.000 0.297 380 G HA3 0.716 4.672 3.960 -0.005 0.000 0.297 380 G C -0.583 174.650 174.900 0.555 0.000 1.430 380 G CA 0.624 45.907 45.100 0.305 0.000 1.030 380 G HN 1.668 nan 8.290 nan 0.000 0.553 381 S N 0.116 116.145 115.700 0.548 0.000 2.568 381 S HA 0.803 5.269 4.470 -0.005 0.000 0.302 381 S C -1.221 173.344 174.600 -0.057 0.000 1.082 381 S CA -0.921 57.445 58.200 0.276 0.000 1.009 381 S CB 2.201 65.557 63.200 0.260 0.000 1.069 381 S HN 1.172 nan 8.310 nan 0.000 0.500 382 Y N 1.278 121.184 120.300 -0.656 0.000 2.350 382 Y HA 0.516 5.063 4.550 -0.006 0.000 0.338 382 Y C -0.030 175.508 175.900 -0.604 0.000 0.961 382 Y CA -0.928 56.528 58.100 -1.074 0.000 1.100 382 Y CB 1.449 38.810 38.460 -1.832 0.000 1.179 382 Y HN 0.893 nan 8.280 nan 0.000 0.454 383 R N 7.051 126.934 120.500 -1.028 0.000 2.291 383 R HA 0.252 4.589 4.340 -0.005 0.000 0.333 383 R C 0.384 176.187 176.300 -0.827 0.000 1.082 383 R CA 0.248 55.906 56.100 -0.736 0.000 0.948 383 R CB 0.057 30.090 30.300 -0.445 0.000 1.009 383 R HN 1.015 nan 8.270 nan 0.000 0.460 384 I N 1.817 122.170 120.570 -0.363 0.000 2.546 384 I HA -0.072 4.095 4.170 -0.005 0.000 0.255 384 I C 0.682 176.794 176.117 -0.008 0.000 1.163 384 I CA 0.849 62.112 61.300 -0.061 0.000 1.457 384 I CB -0.109 37.949 38.000 0.098 0.000 1.092 384 I HN 0.623 nan 8.210 nan 0.000 0.434 385 D N -1.427 118.991 120.400 0.029 0.000 2.779 385 D HA 0.054 4.691 4.640 -0.005 0.000 0.331 385 D C 0.389 176.777 176.300 0.147 0.000 1.331 385 D CA -0.448 53.635 54.000 0.138 0.000 0.866 385 D CB 0.900 41.884 40.800 0.307 0.000 1.409 385 D HN -0.184 nan 8.370 nan 0.000 0.486 386 E N 0.002 120.291 120.200 0.148 0.000 2.072 386 E HA 0.104 4.451 4.350 -0.005 0.000 0.191 386 E C 1.249 177.920 176.600 0.118 0.000 0.985 386 E CA 2.025 58.488 56.400 0.105 0.000 0.801 386 E CB -0.124 29.610 29.700 0.056 0.000 0.750 386 E HN 0.365 nan 8.360 nan 0.000 0.452 387 A N -1.436 121.451 122.820 0.112 0.000 2.343 387 A HA 0.250 4.567 4.320 -0.005 0.000 0.223 387 A C -0.321 177.207 177.584 -0.094 0.000 1.214 387 A CA -0.403 51.548 52.037 -0.144 0.000 0.900 387 A CB -0.015 18.787 19.000 -0.330 0.000 0.942 387 A HN 0.200 nan 8.150 nan 0.000 0.507 388 W N -0.973 120.514 121.300 0.312 0.000 2.781 388 W HA 0.766 5.424 4.660 -0.004 0.000 0.345 388 W C 0.266 176.734 176.519 -0.085 0.000 1.085 388 W CA -0.707 56.760 57.345 0.203 0.000 1.198 388 W CB 1.280 30.827 29.460 0.145 0.000 1.423 388 W HN 0.050 nan 8.180 nan 0.000 0.532 389 R N 1.378 121.912 120.500 0.057 0.000 2.566 389 R HA 0.754 5.091 4.340 -0.005 0.000 0.271 389 R C -1.503 174.712 176.300 -0.141 0.000 1.071 389 R CA -0.584 55.319 56.100 -0.327 0.000 0.915 389 R CB 1.590 31.263 30.300 -1.044 0.000 1.228 389 R HN 0.594 nan 8.270 nan 0.000 0.449 390 A N 1.661 124.360 122.820 -0.201 0.000 2.454 390 A HA 0.938 5.255 4.320 -0.005 0.000 0.302 390 A C -0.918 176.379 177.584 -0.479 0.000 1.079 390 A CA -0.300 51.565 52.037 -0.288 0.000 0.731 390 A CB 2.084 20.991 19.000 -0.156 0.000 1.299 390 A HN 0.862 nan 8.150 nan 0.000 0.413 391 G N -1.134 107.074 108.800 -0.987 0.000 2.606 391 G HA2 0.761 4.717 3.960 -0.005 0.000 0.300 391 G HA3 0.761 4.717 3.960 -0.005 0.000 0.300 391 G C -1.088 173.422 174.900 -0.650 0.000 1.360 391 G CA 0.220 44.843 45.100 -0.795 0.000 0.783 391 G HN 2.077 nan 8.290 nan 0.000 0.484 392 V N -3.560 116.360 119.914 0.010 0.000 3.114 392 V HA 1.027 5.144 4.120 -0.005 0.000 0.308 392 V C -0.142 176.179 176.094 0.377 0.000 1.168 392 V CA -0.451 61.980 62.300 0.219 0.000 1.015 392 V CB 1.196 33.093 31.823 0.123 0.000 1.050 392 V HN 2.398 nan 8.190 nan 0.000 0.433 393 A N 1.256 124.297 122.820 0.368 0.000 2.594 393 A HA 1.103 5.420 4.320 -0.005 0.000 0.291 393 A C -0.489 177.260 177.584 0.276 0.000 1.105 393 A CA -0.350 51.878 52.037 0.319 0.000 0.694 393 A CB 1.731 20.970 19.000 0.397 0.000 1.291 393 A HN 2.687 nan 8.150 nan 0.000 0.410 394 A N -0.403 122.542 122.820 0.208 0.000 2.549 394 A HA 0.909 5.225 4.320 -0.005 0.000 0.297 394 A C -0.253 177.279 177.584 -0.088 0.000 1.061 394 A CA -0.032 52.009 52.037 0.005 0.000 0.690 394 A CB 1.671 20.618 19.000 -0.089 0.000 1.287 394 A HN 2.333 nan 8.150 nan 0.000 0.402 395 G N -0.013 108.520 108.800 -0.445 0.000 2.682 395 G HA2 0.664 4.621 3.960 -0.005 0.000 0.300 395 G HA3 0.664 4.621 3.960 -0.005 0.000 0.300 395 G C -1.464 173.045 174.900 -0.652 0.000 1.391 395 G CA -0.473 44.445 45.100 -0.304 0.000 0.990 395 G HN 0.510 nan 8.290 nan 0.000 0.501 396 F N 0.971 121.002 119.950 0.136 0.000 2.460 396 F HA 0.498 5.022 4.527 -0.005 0.000 0.341 396 F C -0.699 175.005 175.800 -0.160 0.000 1.130 396 F CA -0.878 57.090 58.000 -0.053 0.000 0.962 396 F CB 1.862 40.827 39.000 -0.059 0.000 1.171 396 F HN 0.322 nan 8.300 nan 0.000 0.436 397 Y N 1.721 121.873 120.300 -0.247 0.000 2.364 397 Y HA 0.623 5.170 4.550 -0.005 0.000 0.340 397 Y C -0.086 175.573 175.900 -0.403 0.000 0.975 397 Y CA -1.109 56.820 58.100 -0.284 0.000 1.089 397 Y CB 1.993 40.309 38.460 -0.241 0.000 1.192 397 Y HN 0.421 nan 8.280 nan 0.000 0.454 398 R N 2.878 123.088 120.500 -0.484 0.000 2.343 398 R HA 0.453 4.790 4.340 -0.005 0.000 0.320 398 R C -1.615 174.479 176.300 -0.345 0.000 0.956 398 R CA -0.730 55.063 56.100 -0.512 0.000 0.836 398 R CB 1.171 30.917 30.300 -0.923 0.000 1.151 398 R HN 0.634 nan 8.270 nan 0.000 0.450 399 Q N 3.197 122.894 119.800 -0.172 0.000 2.323 399 Q HA 0.399 4.736 4.340 -0.005 0.000 0.271 399 Q C -1.545 174.452 176.000 -0.005 0.000 1.048 399 Q CA -0.684 55.080 55.803 -0.064 0.000 0.792 399 Q CB 1.385 30.108 28.738 -0.025 0.000 1.280 399 Q HN 0.688 nan 8.270 nan 0.000 0.441 400 K N 2.184 122.605 120.400 0.036 0.000 2.267 400 K HA 0.809 5.126 4.320 -0.005 0.000 0.246 400 K C -1.366 175.304 176.600 0.116 0.000 0.954 400 K CA -1.123 55.211 56.287 0.079 0.000 0.824 400 K CB 1.816 34.357 32.500 0.068 0.000 1.167 400 K HN 0.437 nan 8.250 nan 0.000 0.431 401 L N 0.814 122.134 121.223 0.160 0.000 2.464 401 L HA 0.341 4.677 4.340 -0.005 0.000 0.266 401 L C -1.500 175.488 176.870 0.197 0.000 0.965 401 L CA -0.200 54.760 54.840 0.200 0.000 0.833 401 L CB 2.320 44.533 42.059 0.257 0.000 1.296 401 L HN 0.787 nan 8.230 nan 0.000 0.405 402 E N 3.837 124.134 120.200 0.162 0.000 2.113 402 E HA 0.733 5.080 4.350 -0.005 0.000 0.273 402 E C -1.030 175.679 176.600 0.180 0.000 0.924 402 E CA -0.579 55.901 56.400 0.133 0.000 0.764 402 E CB 1.650 31.405 29.700 0.091 0.000 1.104 402 E HN 0.699 nan 8.360 nan 0.000 0.406 403 A N 2.599 125.549 122.820 0.218 0.000 2.469 403 A HA 0.911 5.228 4.320 -0.005 0.000 0.299 403 A C 0.097 177.820 177.584 0.232 0.000 1.098 403 A CA -0.030 52.151 52.037 0.241 0.000 0.737 403 A CB 1.606 20.771 19.000 0.276 0.000 1.312 403 A HN 0.738 nan 8.150 nan 0.000 0.414 404 G N -0.948 107.990 108.800 0.230 0.000 2.757 404 G HA2 0.330 4.287 3.960 -0.005 0.000 0.638 404 G HA3 0.330 4.287 3.960 -0.005 0.000 0.638 404 G C 0.923 175.956 174.900 0.222 0.000 1.344 404 G CA 0.286 45.540 45.100 0.255 0.000 0.855 404 G HN 2.189 nan 8.290 nan 0.000 0.537 405 A N -0.668 122.306 122.820 0.256 0.000 1.978 405 A HA 0.071 4.388 4.320 -0.005 0.000 0.220 405 A C 1.978 179.657 177.584 0.158 0.000 1.170 405 A CA 2.440 54.605 52.037 0.213 0.000 0.636 405 A CB -0.219 18.933 19.000 0.253 0.000 0.810 405 A HN 0.576 nan 8.150 nan 0.000 0.448 406 K N -0.159 120.335 120.400 0.155 0.000 2.455 406 K HA 0.126 4.443 4.320 -0.005 0.000 0.206 406 K C -0.774 175.867 176.600 0.068 0.000 1.027 406 K CA -0.010 56.336 56.287 0.098 0.000 1.113 406 K CB 0.269 32.818 32.500 0.081 0.000 0.850 406 K HN 0.363 nan 8.250 nan 0.000 0.503 407 D N 1.140 121.593 120.400 0.088 0.000 2.705 407 D HA -0.134 4.503 4.640 -0.005 0.000 0.240 407 D C -0.760 175.547 176.300 0.012 0.000 1.137 407 D CA 0.679 54.718 54.000 0.064 0.000 0.677 407 D CB -1.507 39.321 40.800 0.047 0.000 1.049 407 D HN -0.008 nan 8.370 nan 0.000 0.427 408 S N 0.551 116.262 115.700 0.018 0.000 2.561 408 S HA 0.029 4.495 4.470 -0.005 0.000 0.294 408 S C 0.343 174.751 174.600 -0.321 0.000 1.294 408 S CA 0.117 58.224 58.200 -0.155 0.000 1.055 408 S CB 1.017 64.177 63.200 -0.066 0.000 0.819 408 S HN 0.326 nan 8.310 nan 0.000 0.503 409 D N 1.516 121.604 120.400 -0.520 0.000 2.440 409 D HA 0.403 5.039 4.640 -0.005 0.000 0.239 409 D C -1.656 174.338 176.300 -0.510 0.000 1.084 409 D CA -0.384 53.408 54.000 -0.348 0.000 0.843 409 D CB 0.329 41.031 40.800 -0.164 0.000 1.097 409 D HN 0.348 nan 8.370 nan 0.000 0.531 410 Y N 2.461 122.797 120.300 0.060 0.000 2.350 410 Y HA 0.534 5.081 4.550 -0.005 0.000 0.338 410 Y C 0.413 176.354 175.900 0.068 0.000 0.961 410 Y CA -0.877 57.260 58.100 0.062 0.000 1.100 410 Y CB 1.708 40.201 38.460 0.055 0.000 1.179 410 Y HN 0.051 nan 8.280 nan 0.000 0.454 411 R N 3.550 124.177 120.500 0.211 0.000 2.621 411 R HA 0.720 5.057 4.340 -0.005 0.000 0.292 411 R C -1.292 175.058 176.300 0.083 0.000 0.969 411 R CA -0.975 55.194 56.100 0.115 0.000 0.887 411 R CB 3.021 33.360 30.300 0.064 0.000 1.180 411 R HN 0.768 nan 8.270 nan 0.000 0.450 412 M N 2.328 121.909 119.600 -0.032 0.000 2.386 412 M HA 0.390 4.867 4.480 -0.005 0.000 0.293 412 M C -1.744 174.402 176.300 -0.257 0.000 1.120 412 M CA -0.713 54.447 55.300 -0.233 0.000 0.909 412 M CB 2.389 34.763 32.600 -0.378 0.000 1.661 412 M HN 0.479 nan 8.290 nan 0.000 0.452 413 N N 2.529 121.053 118.700 -0.293 0.000 2.424 413 N HA 0.310 5.047 4.740 -0.005 0.000 0.271 413 N C -1.534 173.740 175.510 -0.393 0.000 0.985 413 N CA -0.126 52.745 53.050 -0.298 0.000 0.921 413 N CB 2.044 40.460 38.487 -0.119 0.000 1.149 413 N HN 0.564 nan 8.380 nan 0.000 0.492 414 S N 2.477 117.915 115.700 -0.436 0.000 2.498 414 S HA 0.486 4.952 4.470 -0.005 0.000 0.317 414 S C -1.318 173.028 174.600 -0.423 0.000 1.090 414 S CA -0.590 57.395 58.200 -0.360 0.000 1.089 414 S CB 0.135 63.148 63.200 -0.312 0.000 0.997 414 S HN 0.335 nan 8.310 nan 0.000 0.470 415 Y N 4.550 124.829 120.300 -0.036 0.000 2.402 415 Y HA 0.528 5.075 4.550 -0.006 0.000 0.332 415 Y C 0.374 176.187 175.900 -0.144 0.000 0.960 415 Y CA -0.675 57.426 58.100 0.000 0.000 1.228 415 Y CB 0.944 39.522 38.460 0.197 0.000 1.120 415 Y HN 0.434 nan 8.280 nan 0.000 0.491 416 M N 2.811 122.245 119.600 -0.276 0.000 2.598 416 M HA 0.879 5.355 4.480 -0.005 0.000 0.317 416 M C -0.635 175.471 176.300 -0.323 0.000 1.179 416 M CA -0.748 54.313 55.300 -0.399 0.000 0.936 416 M CB 2.378 34.449 32.600 -0.882 0.000 1.713 416 M HN 0.676 nan 8.290 nan 0.000 0.460 417 A N 1.031 123.791 122.820 -0.100 0.000 2.587 417 A HA 0.957 5.274 4.320 -0.005 0.000 0.293 417 A C -1.237 176.473 177.584 0.210 0.000 1.087 417 A CA -0.630 51.454 52.037 0.078 0.000 0.692 417 A CB 1.684 20.731 19.000 0.077 0.000 1.291 417 A HN 0.781 nan 8.150 nan 0.000 0.407 418 S N -0.613 115.270 115.700 0.305 0.000 2.579 418 S HA 0.873 5.339 4.470 -0.005 0.000 0.272 418 S C -0.545 174.254 174.600 0.333 0.000 1.141 418 S CA -0.191 58.213 58.200 0.341 0.000 0.843 418 S CB 1.675 65.126 63.200 0.418 0.000 1.122 418 S HN 2.110 nan 8.310 nan 0.000 0.468 419 A N 1.318 124.321 122.820 0.305 0.000 2.355 419 A HA 0.922 5.239 4.320 -0.005 0.000 0.317 419 A C -0.825 176.953 177.584 0.323 0.000 1.094 419 A CA -0.851 51.316 52.037 0.218 0.000 0.764 419 A CB 0.424 19.502 19.000 0.129 0.000 1.230 419 A HN 1.263 nan 8.150 nan 0.000 0.448 420 F N 0.608 120.685 119.950 0.212 0.000 2.613 420 F HA 0.846 5.370 4.527 -0.005 0.000 0.314 420 F C -1.031 174.842 175.800 0.123 0.000 1.075 420 F CA -1.412 56.709 58.000 0.202 0.000 0.945 420 F CB 1.415 40.606 39.000 0.320 0.000 1.310 420 F HN 0.555 nan 8.300 nan 0.000 0.467 421 V N 1.352 121.441 119.914 0.291 0.000 2.925 421 V HA 0.624 4.740 4.120 -0.005 0.000 0.311 421 V C -1.505 174.724 176.094 0.224 0.000 1.104 421 V CA -0.269 62.155 62.300 0.207 0.000 0.954 421 V CB 2.306 34.264 31.823 0.225 0.000 1.022 421 V HN 0.986 nan 8.190 nan 0.000 0.427 422 Q N 3.378 123.311 119.800 0.221 0.000 2.389 422 Q HA 0.513 4.849 4.340 -0.005 0.000 0.277 422 Q C -2.209 173.962 176.000 0.286 0.000 1.082 422 Q CA -0.614 55.281 55.803 0.154 0.000 0.810 422 Q CB 3.262 31.985 28.738 -0.025 0.000 1.374 422 Q HN 0.785 nan 8.270 nan 0.000 0.422 423 Y N 1.658 121.970 120.300 0.022 0.000 2.406 423 Y HA 0.362 4.909 4.550 -0.005 0.000 0.340 423 Y C -1.727 174.143 175.900 -0.051 0.000 0.975 423 Y CA -0.417 57.505 58.100 -0.296 0.000 1.056 423 Y CB 1.710 39.708 38.460 -0.769 0.000 1.210 423 Y HN 0.555 nan 8.280 nan 0.000 0.448 424 Q N 4.575 123.933 119.800 -0.737 0.000 2.275 424 Q HA 0.528 4.865 4.340 -0.005 0.000 0.258 424 Q C -1.907 173.587 176.000 -0.844 0.000 0.960 424 Q CA -0.954 54.435 55.803 -0.691 0.000 0.801 424 Q CB 2.667 31.069 28.738 -0.559 0.000 1.302 424 Q HN 0.723 nan 8.270 nan 0.000 0.433 425 E N 2.720 122.514 120.200 -0.677 0.000 2.311 425 E HA 0.218 4.565 4.350 -0.005 0.000 0.281 425 E C -0.981 175.577 176.600 -0.071 0.000 0.905 425 E CA -0.624 55.541 56.400 -0.392 0.000 0.778 425 E CB 0.975 30.429 29.700 -0.409 0.000 1.240 425 E HN 0.756 nan 8.360 nan 0.000 0.410 426 N N 3.445 122.102 118.700 -0.072 0.000 2.740 426 N HA -0.245 4.492 4.740 -0.005 0.000 0.248 426 N C -0.415 175.055 175.510 -0.066 0.000 1.062 426 N CA 1.703 54.751 53.050 -0.004 0.000 0.704 426 N CB -0.789 37.776 38.487 0.131 0.000 0.968 426 N HN 0.880 nan 8.380 nan 0.000 0.547 427 R N -5.022 115.358 120.500 -0.200 0.000 3.653 427 R HA -0.244 4.092 4.340 -0.005 0.000 0.485 427 R C -0.455 175.605 176.300 -0.399 0.000 0.840 427 R CA 1.586 57.411 56.100 -0.457 0.000 1.409 427 R CB -1.789 27.945 30.300 -0.944 0.000 2.089 427 R HN 0.441 nan 8.270 nan 0.000 0.482 428 W N 2.229 123.541 121.300 0.021 0.000 2.376 428 W HA 0.533 5.191 4.660 -0.004 0.000 0.322 428 W C 0.636 177.219 176.519 0.106 0.000 1.160 428 W CA -0.312 57.112 57.345 0.130 0.000 1.218 428 W CB 0.801 30.402 29.460 0.235 0.000 1.205 428 W HN 0.143 nan 8.180 nan 0.000 0.559 429 W N 1.329 122.821 121.300 0.320 0.000 3.213 429 W HA 0.817 5.473 4.660 -0.006 0.000 0.318 429 W C -1.865 174.736 176.519 0.137 0.000 1.248 429 W CA -1.756 55.650 57.345 0.100 0.000 1.187 429 W CB 0.841 30.252 29.460 -0.082 0.000 1.403 429 W HN 0.616 nan 8.180 nan 0.000 0.556 430 A N 2.320 125.390 122.820 0.417 0.000 2.566 430 A HA 0.612 4.928 4.320 -0.005 0.000 0.297 430 A C -1.809 175.902 177.584 0.211 0.000 1.059 430 A CA -0.567 51.609 52.037 0.232 0.000 0.691 430 A CB 2.008 21.094 19.000 0.145 0.000 1.282 430 A HN 0.502 nan 8.150 nan 0.000 0.401 431 D N 0.290 120.765 120.400 0.126 0.000 2.457 431 D HA 0.761 5.398 4.640 -0.005 0.000 0.240 431 D C -0.494 175.825 176.300 0.032 0.000 1.041 431 D CA 0.167 54.146 54.000 -0.036 0.000 0.861 431 D CB 2.158 42.863 40.800 -0.158 0.000 1.394 431 D HN 0.994 nan 8.370 nan 0.000 0.473 432 A N 0.397 123.250 122.820 0.055 0.000 2.459 432 A HA 0.778 5.095 4.320 -0.005 0.000 0.296 432 A C -1.518 176.179 177.584 0.189 0.000 1.039 432 A CA -0.593 51.505 52.037 0.101 0.000 0.698 432 A CB 1.668 20.852 19.000 0.307 0.000 1.261 432 A HN 0.593 nan 8.150 nan 0.000 0.405 433 A N 1.597 124.457 122.820 0.066 0.000 2.408 433 A HA 0.680 4.997 4.320 -0.005 0.000 0.295 433 A C -1.577 176.176 177.584 0.281 0.000 1.040 433 A CA -0.396 51.802 52.037 0.268 0.000 0.707 433 A CB 1.199 20.394 19.000 0.325 0.000 1.235 433 A HN 1.768 nan 8.150 nan 0.000 0.418 434 L N 2.254 123.716 121.223 0.398 0.000 2.287 434 L HA 0.774 5.111 4.340 -0.005 0.000 0.287 434 L C -0.312 176.775 176.870 0.361 0.000 1.022 434 L CA 0.535 55.638 54.840 0.437 0.000 0.814 434 L CB 1.539 43.839 42.059 0.401 0.000 1.217 434 L HN 0.651 nan 8.230 nan 0.000 0.420 435 T N 3.745 118.516 114.554 0.361 0.000 2.863 435 T HA 0.840 5.187 4.350 -0.005 0.000 0.285 435 T C -0.155 174.721 174.700 0.293 0.000 1.009 435 T CA -0.438 61.844 62.100 0.303 0.000 0.989 435 T CB 1.655 70.689 68.868 0.276 0.000 1.004 435 T HN 0.825 nan 8.240 nan 0.000 0.455 436 G N 0.044 108.974 108.800 0.217 0.000 2.533 436 G HA2 0.782 4.738 3.960 -0.005 0.000 0.304 436 G HA3 0.782 4.738 3.960 -0.005 0.000 0.304 436 G C -0.854 174.114 174.900 0.114 0.000 1.263 436 G CA -0.924 44.301 45.100 0.208 0.000 0.964 436 G HN 0.956 nan 8.290 nan 0.000 0.479 437 G N -1.319 107.565 108.800 0.139 0.000 2.759 437 G HA2 0.526 4.483 3.960 -0.005 0.000 0.297 437 G HA3 0.526 4.483 3.960 -0.005 0.000 0.297 437 G C -2.152 172.872 174.900 0.207 0.000 1.434 437 G CA -0.585 44.571 45.100 0.094 0.000 0.980 437 G HN 0.830 nan 8.290 nan 0.000 0.531 438 Y N 1.769 122.135 120.300 0.109 0.000 2.377 438 Y HA 0.779 5.325 4.550 -0.006 0.000 0.339 438 Y C -0.918 175.071 175.900 0.149 0.000 1.011 438 Y CA -1.322 56.860 58.100 0.135 0.000 1.093 438 Y CB 1.595 40.109 38.460 0.089 0.000 1.201 438 Y HN 0.436 nan 8.280 nan 0.000 0.455 439 L N 5.935 126.690 121.223 -0.780 0.000 2.325 439 L HA 0.356 4.693 4.340 -0.005 0.000 0.281 439 L C -1.205 175.117 176.870 -0.913 0.000 1.004 439 L CA -0.821 53.591 54.840 -0.715 0.000 0.823 439 L CB 1.570 43.358 42.059 -0.452 0.000 1.236 439 L HN 0.619 nan 8.230 nan 0.000 0.415 440 D N 2.406 122.441 120.400 -0.609 0.000 2.460 440 D HA 0.197 4.833 4.640 -0.005 0.000 0.232 440 D C -1.031 175.106 176.300 -0.271 0.000 1.079 440 D CA -0.314 53.519 54.000 -0.279 0.000 0.864 440 D CB 0.554 41.384 40.800 0.049 0.000 1.048 440 D HN 0.198 nan 8.370 nan 0.000 0.523 441 Y N 3.119 123.355 120.300 -0.107 0.000 2.636 441 Y HA 0.124 4.671 4.550 -0.006 0.000 0.341 441 Y C 1.431 177.288 175.900 -0.070 0.000 1.169 441 Y CA -0.461 57.585 58.100 -0.091 0.000 1.498 441 Y CB 0.540 38.922 38.460 -0.130 0.000 1.362 441 Y HN 0.416 nan 8.280 nan 0.000 0.494 442 D N -0.398 120.039 120.400 0.061 0.000 2.323 442 D HA -0.085 4.551 4.640 -0.005 0.000 0.209 442 D C -0.185 176.142 176.300 0.046 0.000 0.973 442 D CA 0.548 54.578 54.000 0.050 0.000 0.874 442 D CB 0.352 41.182 40.800 0.049 0.000 0.930 442 D HN 0.464 nan 8.370 nan 0.000 0.521 443 D N -0.389 120.049 120.400 0.063 0.000 2.479 443 D HA 0.282 4.919 4.640 -0.005 0.000 0.246 443 D C -1.697 174.654 176.300 0.084 0.000 1.336 443 D CA -0.580 53.452 54.000 0.053 0.000 0.967 443 D CB 0.883 41.707 40.800 0.040 0.000 1.275 443 D HN -0.188 nan 8.370 nan 0.000 0.577 444 L N 3.829 125.098 121.223 0.077 0.000 2.337 444 L HA 0.411 4.747 4.340 -0.005 0.000 0.269 444 L C -0.353 176.569 176.870 0.086 0.000 1.018 444 L CA -0.528 54.418 54.840 0.177 0.000 0.876 444 L CB 1.101 43.258 42.059 0.163 0.000 1.236 444 L HN 0.379 nan 8.230 nan 0.000 0.436 445 K N 3.647 123.964 120.400 -0.138 0.000 2.414 445 K HA 0.381 4.697 4.320 -0.005 0.000 0.251 445 K C -0.217 176.247 176.600 -0.228 0.000 1.037 445 K CA -0.614 55.598 56.287 -0.125 0.000 0.980 445 K CB 0.748 33.180 32.500 -0.113 0.000 1.280 445 K HN 0.445 nan 8.250 nan 0.000 0.451 446 R N 4.099 124.605 120.500 0.011 0.000 2.221 446 R HA 0.190 4.527 4.340 -0.005 0.000 0.327 446 R C -0.897 175.473 176.300 0.116 0.000 1.033 446 R CA -0.266 55.911 56.100 0.129 0.000 0.887 446 R CB 0.636 31.157 30.300 0.368 0.000 1.057 446 R HN 0.441 nan 8.270 nan 0.000 0.455 447 K N 4.908 125.354 120.400 0.078 0.000 2.259 447 K HA 0.457 4.774 4.320 -0.005 0.000 0.252 447 K C -1.128 175.553 176.600 0.134 0.000 0.936 447 K CA -0.671 55.592 56.287 -0.040 0.000 0.810 447 K CB 1.567 34.032 32.500 -0.058 0.000 1.143 447 K HN 0.443 nan 8.250 nan 0.000 0.427 448 F N -1.382 118.625 119.950 0.094 0.000 2.686 448 F HA 0.655 5.178 4.527 -0.006 0.000 0.311 448 F C -0.995 174.867 175.800 0.104 0.000 1.128 448 F CA -1.655 56.418 58.000 0.123 0.000 0.946 448 F CB 0.723 39.802 39.000 0.133 0.000 1.336 448 F HN 0.455 nan 8.300 nan 0.000 0.457 449 A N 1.976 125.005 122.820 0.349 0.000 2.450 449 A HA 0.672 4.989 4.320 -0.005 0.000 0.255 449 A C -1.127 176.609 177.584 0.253 0.000 1.096 449 A CA -0.197 51.960 52.037 0.201 0.000 0.778 449 A CB 0.544 19.625 19.000 0.134 0.000 1.031 449 A HN 1.138 nan 8.150 nan 0.000 0.494 450 L N 1.565 122.866 121.223 0.130 0.000 2.592 450 L HA 0.609 4.946 4.340 -0.005 0.000 0.258 450 L C 0.579 177.458 176.870 0.015 0.000 0.926 450 L CA 1.180 56.071 54.840 0.085 0.000 0.885 450 L CB 1.686 43.855 42.059 0.184 0.000 1.380 450 L HN 1.772 nan 8.230 nan 0.000 0.415 451 G N 2.675 111.427 108.800 -0.081 0.000 2.258 451 G HA2 0.061 4.018 3.960 -0.005 0.000 0.274 451 G HA3 0.061 4.018 3.960 -0.005 0.000 0.274 451 G C 1.184 176.095 174.900 0.020 0.000 1.021 451 G CA 1.137 46.221 45.100 -0.026 0.000 0.798 451 G HN 2.315 nan 8.290 nan 0.000 0.507 452 G N -2.473 106.327 108.800 -0.000 0.000 2.220 452 G HA2 0.080 4.037 3.960 -0.005 0.000 0.269 452 G HA3 0.080 4.037 3.960 -0.005 0.000 0.269 452 G C 1.529 176.438 174.900 0.016 0.000 0.977 452 G CA 1.316 46.420 45.100 0.005 0.000 0.634 452 G HN 2.107 nan 8.290 nan 0.000 0.539 453 G N -0.366 108.449 108.800 0.025 0.000 3.341 453 G HA2 0.754 4.710 3.960 -0.005 0.000 0.177 453 G HA3 0.754 4.710 3.960 -0.005 0.000 0.177 453 G C -0.231 174.675 174.900 0.009 0.000 1.236 453 G CA 0.443 45.554 45.100 0.018 0.000 0.888 453 G HN 1.219 nan 8.290 nan 0.000 0.644 454 E N -1.196 118.993 120.200 -0.019 0.000 2.390 454 E HA 0.614 4.961 4.350 -0.005 0.000 0.277 454 E C -1.136 175.366 176.600 -0.165 0.000 0.939 454 E CA -0.965 55.385 56.400 -0.083 0.000 0.769 454 E CB 2.542 32.193 29.700 -0.082 0.000 1.251 454 E HN 0.462 nan 8.360 nan 0.000 0.450 455 R N 0.925 121.182 120.500 -0.404 0.000 2.832 455 R HA 0.582 4.919 4.340 -0.005 0.000 0.271 455 R C -1.223 174.632 176.300 -0.740 0.000 0.996 455 R CA -0.477 55.332 56.100 -0.486 0.000 0.977 455 R CB 1.932 32.009 30.300 -0.372 0.000 1.168 455 R HN 0.780 nan 8.270 nan 0.000 0.482 456 S N 1.576 117.052 115.700 -0.373 0.000 2.526 456 S HA 0.523 4.989 4.470 -0.005 0.000 0.293 456 S C -1.101 173.481 174.600 -0.030 0.000 1.092 456 S CA -1.001 57.062 58.200 -0.229 0.000 0.980 456 S CB 2.245 65.371 63.200 -0.124 0.000 1.048 456 S HN 0.562 nan 8.310 nan 0.000 0.483 457 E N 1.331 121.598 120.200 0.112 0.000 2.238 457 E HA 0.527 4.873 4.350 -0.005 0.000 0.267 457 E C -1.053 175.657 176.600 0.184 0.000 0.887 457 E CA -0.744 55.769 56.400 0.187 0.000 0.769 457 E CB 2.326 32.201 29.700 0.291 0.000 1.187 457 E HN 0.650 nan 8.360 nan 0.000 0.416 458 K N 0.308 120.812 120.400 0.173 0.000 2.375 458 K HA 0.800 5.117 4.320 -0.005 0.000 0.249 458 K C -0.254 176.477 176.600 0.218 0.000 0.942 458 K CA -0.836 55.548 56.287 0.161 0.000 0.806 458 K CB 2.461 35.016 32.500 0.091 0.000 1.227 458 K HN 0.625 nan 8.250 nan 0.000 0.430 459 G N 0.819 109.740 108.800 0.202 0.000 2.606 459 G HA2 0.557 4.514 3.960 -0.005 0.000 0.300 459 G HA3 0.557 4.514 3.960 -0.005 0.000 0.300 459 G C -2.014 172.820 174.900 -0.110 0.000 1.360 459 G CA -0.648 44.544 45.100 0.152 0.000 0.783 459 G HN 0.720 nan 8.290 nan 0.000 0.484 460 D N -2.274 117.935 120.400 -0.319 0.000 2.654 460 D HA 0.660 5.296 4.640 -0.005 0.000 0.231 460 D C -0.603 175.470 176.300 -0.379 0.000 1.239 460 D CA -0.433 53.397 54.000 -0.283 0.000 0.790 460 D CB 2.087 42.849 40.800 -0.064 0.000 1.480 460 D HN 0.557 nan 8.370 nan 0.000 0.442 461 T N -0.148 114.269 114.554 -0.229 0.000 2.671 461 T HA 0.550 4.897 4.350 -0.005 0.000 0.300 461 T C -1.673 173.095 174.700 0.114 0.000 1.238 461 T CA -0.685 61.364 62.100 -0.085 0.000 1.020 461 T CB 1.210 69.976 68.868 -0.170 0.000 1.503 461 T HN 0.494 nan 8.240 nan 0.000 0.497 462 N N -0.676 118.116 118.700 0.154 0.000 2.469 462 N HA 0.797 5.534 4.740 -0.005 0.000 0.286 462 N C -0.468 175.152 175.510 0.183 0.000 1.275 462 N CA -0.429 52.718 53.050 0.161 0.000 0.790 462 N CB 2.034 40.657 38.487 0.226 0.000 1.446 462 N HN 0.979 nan 8.380 nan 0.000 0.501 463 G N -1.047 107.815 108.800 0.103 0.000 2.606 463 G HA2 0.589 4.546 3.960 -0.005 0.000 0.300 463 G HA3 0.589 4.546 3.960 -0.005 0.000 0.300 463 G C -1.968 173.010 174.900 0.129 0.000 1.360 463 G CA -0.507 44.666 45.100 0.122 0.000 0.783 463 G HN 0.904 nan 8.290 nan 0.000 0.484 464 H N -2.266 116.845 119.070 0.067 0.000 3.014 464 H HA 0.790 5.343 4.556 -0.005 0.000 0.337 464 H C -1.239 174.132 175.328 0.070 0.000 1.320 464 H CA -1.029 55.074 56.048 0.092 0.000 1.128 464 H CB 1.576 31.441 29.762 0.172 0.000 1.862 464 H HN 1.172 nan 8.280 nan 0.000 0.536 465 L N -1.613 119.712 121.223 0.169 0.000 2.465 465 L HA 0.699 5.036 4.340 -0.005 0.000 0.257 465 L C -1.616 175.436 176.870 0.302 0.000 0.988 465 L CA -0.919 53.971 54.840 0.084 0.000 0.827 465 L CB 2.325 44.312 42.059 -0.121 0.000 1.397 465 L HN 1.007 nan 8.230 nan 0.000 0.410 466 W N 1.312 122.668 121.300 0.093 0.000 3.127 466 W HA 0.969 5.626 4.660 -0.005 0.000 0.330 466 W C -1.834 174.774 176.519 0.148 0.000 1.187 466 W CA -0.891 56.538 57.345 0.140 0.000 1.198 466 W CB 1.406 30.980 29.460 0.190 0.000 1.408 466 W HN 1.045 nan 8.180 nan 0.000 0.529 467 A N 3.102 126.047 122.820 0.209 0.000 2.549 467 A HA 0.794 5.111 4.320 -0.005 0.000 0.297 467 A C -2.610 175.179 177.584 0.341 0.000 1.061 467 A CA -0.678 51.382 52.037 0.038 0.000 0.690 467 A CB 2.154 21.152 19.000 -0.005 0.000 1.287 467 A HN 0.767 nan 8.150 nan 0.000 0.402 468 F N 2.158 122.204 119.950 0.160 0.000 2.507 468 F HA 0.718 5.242 4.527 -0.005 0.000 0.325 468 F C 0.009 175.913 175.800 0.173 0.000 1.116 468 F CA -0.192 57.949 58.000 0.234 0.000 0.930 468 F CB 2.190 41.367 39.000 0.294 0.000 1.146 468 F HN 0.677 nan 8.300 nan 0.000 0.447 469 S N 4.362 119.623 115.700 -0.733 0.000 2.536 469 S HA 0.984 5.450 4.470 -0.005 0.000 0.287 469 S C -0.996 173.138 174.600 -0.778 0.000 1.101 469 S CA -0.584 57.288 58.200 -0.546 0.000 0.950 469 S CB 1.612 64.708 63.200 -0.174 0.000 1.056 469 S HN 1.180 nan 8.310 nan 0.000 0.481 470 A N 2.071 124.658 122.820 -0.388 0.000 2.572 470 A HA 1.000 5.317 4.320 -0.005 0.000 0.295 470 A C -0.744 176.855 177.584 0.025 0.000 1.072 470 A CA -1.216 50.735 52.037 -0.143 0.000 0.691 470 A CB 1.572 20.598 19.000 0.044 0.000 1.291 470 A HN 1.176 nan 8.150 nan 0.000 0.404 471 R N -0.251 120.287 120.500 0.063 0.000 2.716 471 R HA 0.859 5.195 4.340 -0.005 0.000 0.271 471 R C -1.770 174.516 176.300 -0.024 0.000 1.028 471 R CA -0.749 55.397 56.100 0.077 0.000 0.883 471 R CB 1.366 31.722 30.300 0.094 0.000 1.250 471 R HN 1.074 nan 8.270 nan 0.000 0.465 472 L N -0.172 120.960 121.223 -0.151 0.000 2.505 472 L HA 0.906 5.243 4.340 -0.005 0.000 0.259 472 L C -1.284 175.238 176.870 -0.579 0.000 0.952 472 L CA -0.103 54.518 54.840 -0.364 0.000 0.840 472 L CB 2.587 44.585 42.059 -0.103 0.000 1.358 472 L HN 0.991 nan 8.230 nan 0.000 0.409 473 G N 1.600 109.749 108.800 -1.086 0.000 2.684 473 G HA2 0.498 4.455 3.960 -0.005 0.000 0.290 473 G HA3 0.498 4.455 3.960 -0.005 0.000 0.290 473 G C -2.695 171.920 174.900 -0.473 0.000 1.425 473 G CA -0.488 44.099 45.100 -0.854 0.000 0.822 473 G HN 0.563 nan 8.290 nan 0.000 0.482 474 Y N 0.877 121.021 120.300 -0.262 0.000 2.346 474 Y HA 0.468 5.015 4.550 -0.006 0.000 0.332 474 Y C -0.698 175.206 175.900 0.007 0.000 0.985 474 Y CA -1.007 56.886 58.100 -0.346 0.000 1.112 474 Y CB 2.030 40.044 38.460 -0.744 0.000 1.170 474 Y HN 0.504 nan 8.280 nan 0.000 0.447 475 D N 5.124 125.343 120.400 -0.302 0.000 2.390 475 D HA 0.110 4.747 4.640 -0.005 0.000 0.249 475 D C 1.101 177.289 176.300 -0.187 0.000 1.144 475 D CA 0.543 54.527 54.000 -0.027 0.000 0.880 475 D CB 1.024 41.819 40.800 -0.009 0.000 1.182 475 D HN 0.778 nan 8.370 nan 0.000 0.451 476 I N 2.067 122.695 120.570 0.097 0.000 2.676 476 I HA -0.097 4.070 4.170 -0.005 0.000 0.259 476 I C 1.203 177.375 176.117 0.092 0.000 1.194 476 I CA 0.270 61.669 61.300 0.165 0.000 1.473 476 I CB -0.137 38.061 38.000 0.329 0.000 1.096 476 I HN 0.341 nan 8.210 nan 0.000 0.443 477 A N 0.691 123.393 122.820 -0.198 0.000 2.451 477 A HA 0.121 4.438 4.320 -0.005 0.000 0.266 477 A C 0.938 178.295 177.584 -0.379 0.000 1.119 477 A CA -0.285 51.363 52.037 -0.648 0.000 0.786 477 A CB 0.313 18.482 19.000 -1.386 0.000 1.061 477 A HN 0.304 nan 8.150 nan 0.000 0.503 478 Q N 0.897 120.541 119.800 -0.260 0.000 2.291 478 Q HA -0.123 4.214 4.340 -0.005 0.000 0.205 478 Q C 0.361 176.225 176.000 -0.228 0.000 0.970 478 Q CA 1.351 57.037 55.803 -0.196 0.000 0.876 478 Q CB -0.056 28.622 28.738 -0.101 0.000 0.935 478 Q HN 0.899 nan 8.270 nan 0.000 0.455 479 Q N -0.431 119.183 119.800 -0.310 0.000 2.456 479 Q HA 0.550 4.887 4.340 -0.005 0.000 0.234 479 Q C 0.262 176.102 176.000 -0.266 0.000 1.061 479 Q CA 0.075 55.705 55.803 -0.289 0.000 0.896 479 Q CB 1.318 29.843 28.738 -0.355 0.000 1.233 479 Q HN 0.102 nan 8.270 nan 0.000 0.506 480 A N 4.051 126.744 122.820 -0.212 0.000 1.958 480 A HA -0.233 4.083 4.320 -0.005 0.000 0.221 480 A C 1.338 178.805 177.584 -0.196 0.000 1.178 480 A CA 1.961 53.866 52.037 -0.220 0.000 0.642 480 A CB -0.291 18.571 19.000 -0.230 0.000 0.816 480 A HN 0.895 nan 8.150 nan 0.000 0.453 481 D N -0.782 119.502 120.400 -0.193 0.000 2.491 481 D HA 0.136 4.773 4.640 -0.005 0.000 0.228 481 D C 0.389 176.540 176.300 -0.248 0.000 1.183 481 D CA 0.333 54.220 54.000 -0.188 0.000 0.827 481 D CB -0.360 40.344 40.800 -0.159 0.000 0.989 481 D HN 0.210 nan 8.370 nan 0.000 0.494 482 S N 1.311 116.777 115.700 -0.390 0.000 2.573 482 S HA 0.099 4.566 4.470 -0.005 0.000 0.277 482 S C -1.486 172.696 174.600 -0.697 0.000 1.346 482 S CA -0.751 57.035 58.200 -0.689 0.000 1.034 482 S CB 1.354 63.799 63.200 -1.258 0.000 0.879 482 S HN -0.074 nan 8.310 nan 0.000 0.528 483 P HA 0.128 nan 4.420 nan 0.000 0.227 483 P C -0.297 176.560 177.300 -0.738 0.000 1.161 483 P CA 0.529 63.277 63.100 -0.588 0.000 0.788 483 P CB 0.052 31.465 31.700 -0.479 0.000 0.822 484 W N -0.162 120.676 121.300 -0.770 0.000 2.761 484 W HA 0.539 5.196 4.660 -0.005 0.000 0.340 484 W C -0.977 175.004 176.519 -0.897 0.000 1.072 484 W CA -0.523 56.455 57.345 -0.611 0.000 1.215 484 W CB 0.638 29.950 29.460 -0.245 0.000 1.420 484 W HN -0.114 nan 8.180 nan 0.000 0.519 485 H N 2.735 121.699 119.070 -0.177 0.000 2.894 485 H HA 0.580 5.132 4.556 -0.005 0.000 0.367 485 H C -1.478 173.917 175.328 0.113 0.000 1.144 485 H CA -0.836 54.965 56.048 -0.411 0.000 1.180 485 H CB 3.009 31.996 29.762 -1.292 0.000 1.758 485 H HN 0.351 nan 8.280 nan 0.000 0.541 486 L N 1.944 123.449 121.223 0.470 0.000 2.476 486 L HA 0.405 4.742 4.340 -0.005 0.000 0.269 486 L C -0.988 176.240 176.870 0.596 0.000 0.965 486 L CA -0.165 55.025 54.840 0.583 0.000 0.845 486 L CB 1.934 44.292 42.059 0.498 0.000 1.259 486 L HN 0.556 nan 8.230 nan 0.000 0.403 487 S N 6.263 122.364 115.700 0.669 0.000 2.677 487 S HA 0.803 5.269 4.470 -0.005 0.000 0.283 487 S C -2.913 172.012 174.600 0.543 0.000 1.159 487 S CA -1.022 57.554 58.200 0.626 0.000 1.001 487 S CB 1.652 65.398 63.200 0.910 0.000 1.032 487 S HN 0.400 nan 8.310 nan 0.000 0.487 488 P HA 0.510 nan 4.420 nan 0.000 0.275 488 P C -0.976 176.486 177.300 0.270 0.000 1.228 488 P CA -0.244 62.994 63.100 0.230 0.000 0.786 488 P CB 0.211 31.997 31.700 0.144 0.000 0.927 489 F N -0.054 119.962 119.950 0.110 0.000 2.686 489 F HA 0.716 5.240 4.527 -0.006 0.000 0.311 489 F C -1.390 174.428 175.800 0.030 0.000 1.128 489 F CA -1.633 56.369 58.000 0.003 0.000 0.946 489 F CB 0.787 39.794 39.000 0.011 0.000 1.336 489 F HN 0.216 nan 8.300 nan 0.000 0.457 490 V N 0.117 120.167 119.914 0.226 0.000 2.715 490 V HA 0.935 5.052 4.120 -0.005 0.000 0.310 490 V C -0.527 175.734 176.094 0.278 0.000 1.054 490 V CA -0.354 62.048 62.300 0.170 0.000 0.928 490 V CB 0.926 32.806 31.823 0.094 0.000 1.007 490 V HN 1.290 nan 8.190 nan 0.000 0.437 491 S N 2.264 118.111 115.700 0.245 0.000 2.568 491 S HA 0.986 5.453 4.470 -0.005 0.000 0.293 491 S C -0.360 174.325 174.600 0.143 0.000 1.089 491 S CA -0.270 58.056 58.200 0.210 0.000 0.945 491 S CB 1.872 65.224 63.200 0.253 0.000 1.077 491 S HN 2.192 nan 8.310 nan 0.000 0.485 492 A N 1.214 124.110 122.820 0.127 0.000 2.414 492 A HA 0.798 5.115 4.320 -0.005 0.000 0.306 492 A C -1.447 176.211 177.584 0.124 0.000 1.054 492 A CA -0.650 51.472 52.037 0.142 0.000 0.724 492 A CB 1.313 20.424 19.000 0.186 0.000 1.267 492 A HN 0.841 nan 8.150 nan 0.000 0.418 493 D N 0.542 121.027 120.400 0.141 0.000 2.964 493 D HA 0.386 5.023 4.640 -0.005 0.000 0.234 493 D C -1.972 174.439 176.300 0.185 0.000 1.223 493 D CA 0.143 54.213 54.000 0.117 0.000 0.889 493 D CB 2.182 43.005 40.800 0.039 0.000 1.609 493 D HN 0.510 nan 8.370 nan 0.000 0.523 494 Y N 1.228 121.569 120.300 0.069 0.000 2.446 494 Y HA 0.601 5.148 4.550 -0.005 0.000 0.345 494 Y C -1.503 174.297 175.900 -0.166 0.000 0.984 494 Y CA -0.597 57.482 58.100 -0.036 0.000 1.058 494 Y CB 1.837 40.272 38.460 -0.041 0.000 1.220 494 Y HN 0.451 nan 8.280 nan 0.000 0.455 495 A N 6.567 128.813 122.820 -0.957 0.000 2.485 495 A HA 0.542 4.859 4.320 -0.005 0.000 0.285 495 A C -1.689 175.387 177.584 -0.848 0.000 1.045 495 A CA -0.801 50.807 52.037 -0.715 0.000 0.792 495 A CB 1.147 20.011 19.000 -0.227 0.000 1.307 495 A HN 0.768 nan 8.150 nan 0.000 0.406 496 R N 2.792 122.778 120.500 -0.858 0.000 2.310 496 R HA 0.620 4.957 4.340 -0.005 0.000 0.324 496 R C -1.612 174.506 176.300 -0.304 0.000 0.955 496 R CA -0.265 55.556 56.100 -0.465 0.000 0.830 496 R CB 1.335 31.499 30.300 -0.226 0.000 1.154 496 R HN 0.480 nan 8.270 nan 0.000 0.458 497 V N 4.292 124.049 119.914 -0.262 0.000 2.435 497 V HA 0.267 4.384 4.120 -0.005 0.000 0.290 497 V C -0.470 175.505 176.094 -0.198 0.000 1.030 497 V CA -0.556 61.565 62.300 -0.298 0.000 0.881 497 V CB 1.617 33.161 31.823 -0.466 0.000 0.983 497 V HN 0.818 nan 8.190 nan 0.000 0.445 498 E N 4.529 124.558 120.200 -0.285 0.000 2.241 498 E HA 0.598 4.945 4.350 -0.005 0.000 0.263 498 E C -1.308 175.188 176.600 -0.174 0.000 0.882 498 E CA -0.694 55.562 56.400 -0.240 0.000 0.769 498 E CB 2.077 31.599 29.700 -0.296 0.000 1.185 498 E HN 0.513 nan 8.360 nan 0.000 0.415 499 V N 2.754 122.615 119.914 -0.088 0.000 2.417 499 V HA 0.464 4.581 4.120 -0.005 0.000 0.291 499 V C -0.820 175.272 176.094 -0.004 0.000 1.024 499 V CA -0.719 61.555 62.300 -0.044 0.000 0.861 499 V CB 1.390 33.100 31.823 -0.188 0.000 0.985 499 V HN 0.798 nan 8.190 nan 0.000 0.436 500 D N 4.786 125.228 120.400 0.071 0.000 2.443 500 D HA 0.280 4.916 4.640 -0.005 0.000 0.239 500 D C 0.743 177.126 176.300 0.138 0.000 1.136 500 D CA 1.051 55.118 54.000 0.112 0.000 0.879 500 D CB 1.370 42.260 40.800 0.150 0.000 1.195 500 D HN 0.937 nan 8.370 nan 0.000 0.443 501 G N 0.477 109.351 108.800 0.124 0.000 2.664 501 G HA2 0.383 4.339 3.960 -0.005 0.000 0.242 501 G HA3 0.383 4.339 3.960 -0.005 0.000 0.242 501 G C -0.716 174.340 174.900 0.260 0.000 1.225 501 G CA -0.065 45.118 45.100 0.139 0.000 0.849 501 G HN 0.568 nan 8.290 nan 0.000 0.581 502 Y N -2.386 117.986 120.300 0.120 0.000 2.689 502 Y HA 0.701 5.247 4.550 -0.006 0.000 0.333 502 Y C -0.589 175.373 175.900 0.103 0.000 1.208 502 Y CA -1.350 56.815 58.100 0.109 0.000 1.055 502 Y CB 1.163 39.691 38.460 0.112 0.000 1.304 502 Y HN 0.580 nan 8.280 nan 0.000 0.455 503 S N 1.191 116.975 115.700 0.140 0.000 2.456 503 S HA 0.339 4.806 4.470 -0.005 0.000 0.316 503 S C -0.905 173.791 174.600 0.160 0.000 1.089 503 S CA -0.622 57.576 58.200 -0.003 0.000 1.101 503 S CB 0.328 63.533 63.200 0.009 0.000 0.995 503 S HN 0.687 nan 8.310 nan 0.000 0.468 504 E N 3.180 123.428 120.200 0.082 0.000 2.437 504 E HA 0.033 4.380 4.350 -0.005 0.000 0.263 504 E C 0.041 176.723 176.600 0.136 0.000 1.030 504 E CA 0.106 56.629 56.400 0.205 0.000 0.934 504 E CB 0.466 30.265 29.700 0.166 0.000 0.943 504 E HN 0.425 nan 8.360 nan 0.000 0.444 505 K N 1.786 122.274 120.400 0.146 0.000 2.414 505 K HA 0.161 4.478 4.320 -0.005 0.000 0.272 505 K C 0.639 177.285 176.600 0.076 0.000 0.993 505 K CA 0.654 57.001 56.287 0.100 0.000 0.964 505 K CB 0.414 32.968 32.500 0.091 0.000 0.925 505 K HN 0.830 nan 8.250 nan 0.000 0.487 506 G N 0.936 109.770 108.800 0.057 0.000 2.645 506 G HA2 -0.115 3.842 3.960 -0.005 0.000 0.239 506 G HA3 -0.115 3.842 3.960 -0.005 0.000 0.239 506 G C -0.272 174.651 174.900 0.039 0.000 1.331 506 G CA -0.025 45.102 45.100 0.045 0.000 0.890 506 G HN 0.856 nan 8.290 nan 0.000 0.572 507 A N -0.887 121.954 122.820 0.035 0.000 2.709 507 A HA 0.784 5.101 4.320 -0.005 0.000 0.241 507 A C 0.779 178.384 177.584 0.035 0.000 0.879 507 A CA 1.374 53.428 52.037 0.030 0.000 1.120 507 A CB -0.412 18.601 19.000 0.021 0.000 1.226 507 A HN 2.493 nan 8.150 nan 0.000 0.468 508 S N -0.275 115.455 115.700 0.049 0.000 2.592 508 S HA 0.392 4.859 4.470 -0.005 0.000 0.256 508 S C 1.458 176.096 174.600 0.062 0.000 1.369 508 S CA 0.265 58.499 58.200 0.056 0.000 0.984 508 S CB 0.873 64.125 63.200 0.087 0.000 0.919 508 S HN 1.475 nan 8.310 nan 0.000 0.576 509 A N 0.803 123.651 122.820 0.046 0.000 2.067 509 A HA 0.047 4.364 4.320 -0.005 0.000 0.219 509 A C 2.155 179.851 177.584 0.186 0.000 1.158 509 A CA 1.562 53.629 52.037 0.049 0.000 0.661 509 A CB -1.406 17.510 19.000 -0.139 0.000 0.801 509 A HN 1.135 nan 8.150 nan 0.000 0.452 510 T N -2.910 111.755 114.554 0.186 0.000 3.086 510 T HA 0.558 4.905 4.350 -0.005 0.000 0.250 510 T C 0.701 175.480 174.700 0.132 0.000 1.074 510 T CA 0.319 62.550 62.100 0.219 0.000 0.988 510 T CB -0.161 68.879 68.868 0.287 0.000 0.988 510 T HN 0.535 nan 8.240 nan 0.000 0.530 511 A N 1.809 124.695 122.820 0.110 0.000 2.450 511 A HA 0.651 4.967 4.320 -0.005 0.000 0.255 511 A C -0.087 177.471 177.584 -0.044 0.000 1.096 511 A CA -0.441 51.633 52.037 0.060 0.000 0.778 511 A CB -0.034 19.000 19.000 0.057 0.000 1.031 511 A HN 0.568 nan 8.150 nan 0.000 0.494 512 L N 1.735 122.865 121.223 -0.156 0.000 2.330 512 L HA 0.471 4.808 4.340 -0.005 0.000 0.271 512 L C -0.511 175.949 176.870 -0.685 0.000 1.013 512 L CA -0.840 53.741 54.840 -0.431 0.000 0.816 512 L CB 1.962 43.665 42.059 -0.593 0.000 1.287 512 L HN 0.688 nan 8.230 nan 0.000 0.435 513 D N 0.869 120.858 120.400 -0.685 0.000 2.408 513 D HA 0.335 4.971 4.640 -0.005 0.000 0.243 513 D C -1.361 174.514 176.300 -0.709 0.000 1.075 513 D CA -0.204 53.431 54.000 -0.607 0.000 0.832 513 D CB 0.887 41.509 40.800 -0.296 0.000 1.162 513 D HN 0.113 nan 8.370 nan 0.000 0.515 514 Y N 1.423 121.506 120.300 -0.360 0.000 2.387 514 Y HA 0.366 4.912 4.550 -0.006 0.000 0.330 514 Y C 0.877 176.648 175.900 -0.214 0.000 1.133 514 Y CA -0.970 56.934 58.100 -0.326 0.000 1.152 514 Y CB 0.905 39.113 38.460 -0.419 0.000 1.215 514 Y HN 0.223 nan 8.280 nan 0.000 0.466 515 D N 0.744 121.142 120.400 -0.004 0.000 2.383 515 D HA 0.091 4.727 4.640 -0.005 0.000 0.248 515 D C -0.679 175.629 176.300 0.014 0.000 1.170 515 D CA -0.245 53.749 54.000 -0.011 0.000 0.977 515 D CB 0.512 41.294 40.800 -0.030 0.000 1.120 515 D HN 0.447 nan 8.370 nan 0.000 0.481 516 D N 0.753 121.167 120.400 0.022 0.000 2.449 516 D HA 0.016 4.653 4.640 -0.005 0.000 0.236 516 D C -0.064 176.238 176.300 0.002 0.000 1.149 516 D CA 0.665 54.682 54.000 0.029 0.000 0.878 516 D CB 0.453 41.280 40.800 0.046 0.000 1.198 516 D HN 0.153 nan 8.370 nan 0.000 0.446 517 Q N 0.993 120.783 119.800 -0.017 0.000 2.337 517 Q HA 0.386 4.723 4.340 -0.005 0.000 0.270 517 Q C -0.971 175.008 176.000 -0.036 0.000 1.043 517 Q CA -0.903 54.876 55.803 -0.041 0.000 0.794 517 Q CB 1.638 30.321 28.738 -0.092 0.000 1.281 517 Q HN 0.433 nan 8.270 nan 0.000 0.446 518 K N 1.591 121.981 120.400 -0.017 0.000 2.469 518 K HA 0.748 5.065 4.320 -0.005 0.000 0.254 518 K C -1.363 175.241 176.600 0.007 0.000 0.939 518 K CA -1.078 55.202 56.287 -0.011 0.000 0.812 518 K CB 2.379 34.889 32.500 0.017 0.000 1.301 518 K HN 0.473 nan 8.250 nan 0.000 0.433 519 R N 0.987 121.498 120.500 0.018 0.000 2.515 519 R HA 0.334 4.671 4.340 -0.005 0.000 0.291 519 R C -1.689 174.654 176.300 0.072 0.000 1.046 519 R CA -0.225 55.905 56.100 0.050 0.000 0.914 519 R CB 2.023 32.359 30.300 0.061 0.000 1.191 519 R HN 0.651 nan 8.270 nan 0.000 0.435 520 S N 1.770 117.467 115.700 -0.006 0.000 2.565 520 S HA 0.615 5.082 4.470 -0.005 0.000 0.290 520 S C -1.084 173.417 174.600 -0.165 0.000 1.150 520 S CA -0.670 57.460 58.200 -0.117 0.000 1.058 520 S CB 1.683 64.859 63.200 -0.039 0.000 1.032 520 S HN 0.596 nan 8.310 nan 0.000 0.510 521 S N 1.894 117.422 115.700 -0.286 0.000 2.519 521 S HA 0.499 4.965 4.470 -0.005 0.000 0.309 521 S C -1.357 173.159 174.600 -0.140 0.000 1.100 521 S CA -0.802 57.265 58.200 -0.221 0.000 1.059 521 S CB 0.206 63.240 63.200 -0.278 0.000 1.008 521 S HN 0.577 nan 8.310 nan 0.000 0.478 522 K N 4.032 124.447 120.400 0.025 0.000 2.483 522 K HA 0.475 4.791 4.320 -0.005 0.000 0.256 522 K C -0.756 175.963 176.600 0.199 0.000 0.961 522 K CA -0.564 55.822 56.287 0.164 0.000 0.873 522 K CB 1.605 34.245 32.500 0.234 0.000 1.107 522 K HN 0.520 nan 8.250 nan 0.000 0.432 523 R N 3.197 123.792 120.500 0.157 0.000 2.621 523 R HA 0.518 4.854 4.340 -0.005 0.000 0.292 523 R C -0.795 175.605 176.300 0.167 0.000 0.969 523 R CA -0.881 55.297 56.100 0.129 0.000 0.887 523 R CB 1.626 31.930 30.300 0.008 0.000 1.180 523 R HN 0.313 nan 8.270 nan 0.000 0.450 524 L N 1.471 122.820 121.223 0.210 0.000 2.346 524 L HA 0.705 5.041 4.340 -0.005 0.000 0.276 524 L C 0.283 177.199 176.870 0.077 0.000 1.006 524 L CA -0.737 54.207 54.840 0.173 0.000 0.817 524 L CB 2.216 44.429 42.059 0.257 0.000 1.272 524 L HN 0.800 nan 8.230 nan 0.000 0.421 525 G N 1.464 110.307 108.800 0.072 0.000 2.605 525 G HA2 0.827 4.784 3.960 -0.005 0.000 0.296 525 G HA3 0.827 4.784 3.960 -0.005 0.000 0.296 525 G C -1.799 173.115 174.900 0.023 0.000 1.304 525 G CA -0.481 44.636 45.100 0.029 0.000 0.941 525 G HN 0.730 nan 8.290 nan 0.000 0.475 526 A N -0.757 122.028 122.820 -0.058 0.000 2.475 526 A HA 1.020 5.337 4.320 -0.005 0.000 0.301 526 A C 0.013 177.340 177.584 -0.427 0.000 1.059 526 A CA -0.036 51.884 52.037 -0.194 0.000 0.710 526 A CB 1.992 20.954 19.000 -0.063 0.000 1.288 526 A HN 2.066 nan 8.150 nan 0.000 0.408 527 G N -0.712 107.520 108.800 -0.945 0.000 2.600 527 G HA2 0.635 4.591 3.960 -0.005 0.000 0.293 527 G HA3 0.635 4.591 3.960 -0.005 0.000 0.293 527 G C -2.285 172.198 174.900 -0.696 0.000 1.408 527 G CA -0.501 44.018 45.100 -0.969 0.000 0.782 527 G HN 1.349 nan 8.290 nan 0.000 0.482 528 L N 0.393 121.594 121.223 -0.037 0.000 2.409 528 L HA 0.723 5.060 4.340 -0.005 0.000 0.272 528 L C -0.184 176.982 176.870 0.492 0.000 0.980 528 L CA -0.558 54.440 54.840 0.264 0.000 0.826 528 L CB 1.911 44.122 42.059 0.253 0.000 1.268 528 L HN 0.843 nan 8.230 nan 0.000 0.407 529 Q N 3.481 123.627 119.800 0.575 0.000 2.413 529 Q HA 0.957 5.294 4.340 -0.005 0.000 0.276 529 Q C -1.002 175.325 176.000 0.544 0.000 1.099 529 Q CA -0.841 55.244 55.803 0.470 0.000 0.814 529 Q CB 2.684 31.571 28.738 0.249 0.000 1.379 529 Q HN 0.787 nan 8.270 nan 0.000 0.436 530 G N 0.902 110.049 108.800 0.578 0.000 2.660 530 G HA2 0.620 4.577 3.960 -0.005 0.000 0.290 530 G HA3 0.620 4.577 3.960 -0.005 0.000 0.290 530 G C -1.944 173.289 174.900 0.554 0.000 1.432 530 G CA -0.809 44.676 45.100 0.642 0.000 0.807 530 G HN 0.886 nan 8.290 nan 0.000 0.485 531 K N -1.436 119.198 120.400 0.391 0.000 2.607 531 K HA 0.673 4.989 4.320 -0.005 0.000 0.287 531 K C -2.373 174.356 176.600 0.214 0.000 0.996 531 K CA -1.149 55.338 56.287 0.333 0.000 0.876 531 K CB 2.117 34.841 32.500 0.374 0.000 1.496 531 K HN 0.601 nan 8.250 nan 0.000 0.415 532 Y N 0.647 120.963 120.300 0.026 0.000 2.386 532 Y HA 0.604 5.151 4.550 -0.005 0.000 0.334 532 Y C -1.404 174.269 175.900 -0.379 0.000 1.002 532 Y CA -0.483 57.496 58.100 -0.202 0.000 1.068 532 Y CB 2.334 40.600 38.460 -0.323 0.000 1.203 532 Y HN 0.912 nan 8.280 nan 0.000 0.443 533 A N 5.377 127.807 122.820 -0.650 0.000 2.290 533 A HA 0.547 4.864 4.320 -0.005 0.000 0.310 533 A C -1.435 175.877 177.584 -0.454 0.000 1.202 533 A CA -0.399 51.407 52.037 -0.385 0.000 0.837 533 A CB -0.135 18.707 19.000 -0.263 0.000 1.139 533 A HN 0.707 nan 8.150 nan 0.000 0.509 534 F N 2.047 122.092 119.950 0.158 0.000 2.753 534 F HA 0.464 4.988 4.527 -0.005 0.000 0.314 534 F C 1.365 177.221 175.800 0.093 0.000 1.215 534 F CA 0.293 58.404 58.000 0.186 0.000 1.243 534 F CB 0.307 39.420 39.000 0.189 0.000 1.400 534 F HN 0.905 nan 8.300 nan 0.000 0.548 535 G N 1.007 109.883 108.800 0.127 0.000 2.546 535 G HA2 -0.102 3.854 3.960 -0.005 0.000 0.285 535 G HA3 -0.102 3.854 3.960 -0.005 0.000 0.285 535 G C 0.729 175.675 174.900 0.077 0.000 1.105 535 G CA 0.289 45.439 45.100 0.084 0.000 1.189 535 G HN 1.235 nan 8.290 nan 0.000 0.534 536 S N -2.066 113.660 115.700 0.042 0.000 2.879 536 S HA -0.348 4.118 4.470 -0.005 0.000 0.280 536 S C 1.041 175.684 174.600 0.072 0.000 1.317 536 S CA 2.496 60.720 58.200 0.040 0.000 1.310 536 S CB -1.071 62.142 63.200 0.022 0.000 1.616 536 S HN 0.768 nan 8.310 nan 0.000 0.717 537 D N 0.820 121.282 120.400 0.104 0.000 2.431 537 D HA 0.271 4.907 4.640 -0.005 0.000 0.227 537 D C 0.798 177.194 176.300 0.160 0.000 1.030 537 D CA 1.529 55.597 54.000 0.115 0.000 0.897 537 D CB 1.033 41.892 40.800 0.099 0.000 1.058 537 D HN 0.649 nan 8.370 nan 0.000 0.500 538 T N 0.039 114.720 114.554 0.213 0.000 2.912 538 T HA 0.538 4.885 4.350 -0.005 0.000 0.299 538 T C -1.835 173.098 174.700 0.387 0.000 1.052 538 T CA -0.618 61.657 62.100 0.290 0.000 0.996 538 T CB 1.621 70.642 68.868 0.256 0.000 1.070 538 T HN 0.010 nan 8.240 nan 0.000 0.465 539 Q N 3.505 123.549 119.800 0.406 0.000 2.418 539 Q HA 0.743 5.080 4.340 -0.005 0.000 0.282 539 Q C -1.715 174.562 176.000 0.461 0.000 1.044 539 Q CA -1.226 54.816 55.803 0.400 0.000 0.813 539 Q CB 2.226 31.134 28.738 0.284 0.000 1.428 539 Q HN 0.563 nan 8.270 nan 0.000 0.402 540 L N 2.482 123.962 121.223 0.429 0.000 2.365 540 L HA 0.744 5.081 4.340 -0.005 0.000 0.273 540 L C -1.090 175.970 176.870 0.317 0.000 1.000 540 L CA -0.929 54.080 54.840 0.282 0.000 0.819 540 L CB 1.233 43.497 42.059 0.342 0.000 1.284 540 L HN 0.742 nan 8.230 nan 0.000 0.418 541 F N 0.900 120.987 119.950 0.229 0.000 2.613 541 F HA 0.985 5.509 4.527 -0.005 0.000 0.314 541 F C -0.471 175.455 175.800 0.209 0.000 1.075 541 F CA -0.949 57.183 58.000 0.220 0.000 0.945 541 F CB 1.805 40.927 39.000 0.204 0.000 1.310 541 F HN 0.478 nan 8.300 nan 0.000 0.467 542 A N 1.364 124.421 122.820 0.395 0.000 2.609 542 A HA 0.827 5.144 4.320 -0.005 0.000 0.291 542 A C -1.590 176.198 177.584 0.340 0.000 1.096 542 A CA -0.637 51.580 52.037 0.300 0.000 0.684 542 A CB 2.088 21.222 19.000 0.223 0.000 1.282 542 A HN 1.088 nan 8.150 nan 0.000 0.412 543 E N -0.427 119.961 120.200 0.313 0.000 2.392 543 E HA 0.599 4.946 4.350 -0.005 0.000 0.279 543 E C -1.873 174.951 176.600 0.374 0.000 0.964 543 E CA -0.712 55.902 56.400 0.356 0.000 0.777 543 E CB 1.655 31.558 29.700 0.337 0.000 1.249 543 E HN 0.998 nan 8.360 nan 0.000 0.449 544 Y N 1.728 122.185 120.300 0.261 0.000 2.446 544 Y HA 0.793 5.340 4.550 -0.005 0.000 0.345 544 Y C -1.642 174.380 175.900 0.202 0.000 0.984 544 Y CA -0.524 57.708 58.100 0.219 0.000 1.058 544 Y CB 2.090 40.653 38.460 0.172 0.000 1.220 544 Y HN 0.909 nan 8.280 nan 0.000 0.455 545 A N 4.074 126.417 122.820 -0.795 0.000 2.515 545 A HA 0.551 4.867 4.320 -0.005 0.000 0.298 545 A C -2.297 174.854 177.584 -0.722 0.000 1.059 545 A CA -0.676 50.984 52.037 -0.629 0.000 0.698 545 A CB 0.998 19.947 19.000 -0.085 0.000 1.289 545 A HN 0.946 nan 8.150 nan 0.000 0.404 546 H N 0.824 119.600 119.070 -0.490 0.000 2.589 546 H HA 0.635 5.188 4.556 -0.006 0.000 0.335 546 H C -0.583 174.665 175.328 -0.132 0.000 1.019 546 H CA -0.125 55.793 56.048 -0.217 0.000 1.213 546 H CB 0.980 30.727 29.762 -0.026 0.000 1.472 546 H HN 0.662 nan 8.280 nan 0.000 0.508 547 E N 3.723 123.573 120.200 -0.584 0.000 2.263 547 E HA 0.430 4.777 4.350 -0.005 0.000 0.264 547 E C -0.570 175.649 176.600 -0.635 0.000 0.923 547 E CA -1.420 54.717 56.400 -0.438 0.000 0.802 547 E CB 2.089 31.648 29.700 -0.235 0.000 1.228 547 E HN 0.322 nan 8.360 nan 0.000 0.417 548 R N 1.754 121.987 120.500 -0.447 0.000 2.494 548 R HA 0.219 4.556 4.340 -0.005 0.000 0.305 548 R C -0.903 175.117 176.300 -0.467 0.000 0.959 548 R CA -0.536 55.213 56.100 -0.585 0.000 0.864 548 R CB 1.420 31.349 30.300 -0.619 0.000 1.159 548 R HN 0.548 nan 8.270 nan 0.000 0.446 549 E N 3.326 123.269 120.200 -0.429 0.000 2.229 549 E HA 0.075 4.421 4.350 -0.005 0.000 0.283 549 E C -0.101 176.287 176.600 -0.353 0.000 1.030 549 E CA -0.089 56.148 56.400 -0.270 0.000 0.836 549 E CB 0.884 30.476 29.700 -0.179 0.000 1.068 549 E HN 0.510 nan 8.360 nan 0.000 0.401 550 Y N 0.856 121.129 120.300 -0.046 0.000 2.497 550 Y HA 0.058 4.605 4.550 -0.005 0.000 0.265 550 Y C 0.805 176.700 175.900 -0.009 0.000 1.111 550 Y CA 0.111 58.200 58.100 -0.018 0.000 1.288 550 Y CB 0.843 39.304 38.460 0.003 0.000 1.082 550 Y HN 0.264 nan 8.280 nan 0.000 0.536 551 E N 1.850 122.105 120.200 0.092 0.000 2.127 551 E HA 0.055 4.402 4.350 -0.005 0.000 0.262 551 E C -0.518 176.076 176.600 -0.010 0.000 1.144 551 E CA 0.081 56.509 56.400 0.047 0.000 1.144 551 E CB -0.073 29.648 29.700 0.034 0.000 1.297 551 E HN 0.507 nan 8.360 nan 0.000 0.469 552 D N -0.187 120.203 120.400 -0.016 0.000 2.643 552 D HA 0.085 4.722 4.640 -0.005 0.000 0.244 552 D C -0.350 175.922 176.300 -0.047 0.000 1.257 552 D CA -0.521 53.448 54.000 -0.053 0.000 0.831 552 D CB 0.094 40.854 40.800 -0.067 0.000 1.043 552 D HN -0.127 nan 8.370 nan 0.000 0.488 553 D N 0.425 120.811 120.400 -0.024 0.000 2.302 553 D HA 0.175 4.811 4.640 -0.005 0.000 0.248 553 D C 0.270 176.546 176.300 -0.040 0.000 1.094 553 D CA -0.030 53.958 54.000 -0.020 0.000 0.897 553 D CB 1.041 41.845 40.800 0.006 0.000 1.200 553 D HN -0.096 nan 8.370 nan 0.000 0.429 554 T N 3.250 117.776 114.554 -0.047 0.000 2.908 554 T HA 0.020 4.366 4.350 -0.005 0.000 0.301 554 T C 0.543 175.236 174.700 -0.012 0.000 1.019 554 T CA -0.348 61.719 62.100 -0.056 0.000 1.152 554 T CB 0.344 69.180 68.868 -0.053 0.000 0.966 554 T HN 0.107 nan 8.240 nan 0.000 0.540 555 Q N 2.577 122.376 119.800 -0.002 0.000 2.317 555 Q HA 0.410 4.746 4.340 -0.005 0.000 0.229 555 Q C -0.142 175.878 176.000 0.033 0.000 0.984 555 Q CA -0.415 55.403 55.803 0.025 0.000 0.911 555 Q CB 1.021 29.784 28.738 0.042 0.000 1.217 555 Q HN 0.854 nan 8.270 nan 0.000 0.501 556 D N -0.890 119.532 120.400 0.036 0.000 2.570 556 D HA 0.556 5.193 4.640 -0.005 0.000 0.244 556 D C -1.459 174.856 176.300 0.025 0.000 1.178 556 D CA -0.785 53.245 54.000 0.049 0.000 0.881 556 D CB 1.016 41.864 40.800 0.081 0.000 1.453 556 D HN 0.222 nan 8.370 nan 0.000 0.447 557 L N 0.073 121.310 121.223 0.022 0.000 2.385 557 L HA 0.649 4.986 4.340 -0.005 0.000 0.273 557 L C -0.918 175.934 176.870 -0.030 0.000 0.990 557 L CA 0.027 54.859 54.840 -0.013 0.000 0.821 557 L CB 2.215 44.253 42.059 -0.035 0.000 1.279 557 L HN 0.602 nan 8.230 nan 0.000 0.412 558 T N 6.734 121.253 114.554 -0.059 0.000 2.837 558 T HA 0.791 5.138 4.350 -0.005 0.000 0.285 558 T C -0.181 174.388 174.700 -0.219 0.000 0.984 558 T CA -0.369 61.651 62.100 -0.133 0.000 1.049 558 T CB 0.891 69.707 68.868 -0.087 0.000 0.947 558 T HN 0.728 nan 8.240 nan 0.000 0.472 559 M N 0.604 119.923 119.600 -0.469 0.000 2.949 559 M HA 0.738 5.215 4.480 -0.005 0.000 0.270 559 M C -1.634 174.164 176.300 -0.837 0.000 1.221 559 M CA -0.978 53.977 55.300 -0.575 0.000 0.818 559 M CB 2.042 34.333 32.600 -0.515 0.000 1.635 559 M HN 0.610 nan 8.290 nan 0.000 0.492 560 S N 0.522 115.896 115.700 -0.544 0.000 2.570 560 S HA 0.744 5.210 4.470 -0.005 0.000 0.270 560 S C -1.334 173.200 174.600 -0.110 0.000 1.149 560 S CA -0.892 57.161 58.200 -0.245 0.000 0.837 560 S CB 1.752 64.880 63.200 -0.120 0.000 1.124 560 S HN 0.710 nan 8.310 nan 0.000 0.465 561 L N 3.046 124.313 121.223 0.073 0.000 2.416 561 L HA 0.374 4.710 4.340 -0.005 0.000 0.272 561 L C 1.614 178.471 176.870 -0.021 0.000 1.161 561 L CA 0.029 54.883 54.840 0.023 0.000 0.845 561 L CB -0.188 41.913 42.059 0.069 0.000 1.119 561 L HN 0.727 nan 8.230 nan 0.000 0.464 562 N N 0.536 119.210 118.700 -0.044 0.000 2.205 562 N HA -0.177 4.559 4.740 -0.005 0.000 0.186 562 N C 1.674 177.182 175.510 -0.003 0.000 1.015 562 N CA 1.503 54.533 53.050 -0.034 0.000 0.862 562 N CB -0.076 38.396 38.487 -0.025 0.000 0.986 562 N HN 0.782 nan 8.380 nan 0.000 0.429 563 S N -0.632 115.078 115.700 0.016 0.000 2.522 563 S HA 0.076 4.543 4.470 -0.005 0.000 0.227 563 S C 0.784 175.401 174.600 0.028 0.000 0.986 563 S CA 0.244 58.459 58.200 0.025 0.000 0.929 563 S CB 0.011 63.233 63.200 0.037 0.000 0.769 563 S HN 0.188 nan 8.310 nan 0.000 0.529 564 L N 1.247 122.488 121.223 0.029 0.000 2.502 564 L HA 0.394 4.731 4.340 -0.005 0.000 0.249 564 L C -2.400 174.487 176.870 0.028 0.000 1.446 564 L CA -1.587 53.273 54.840 0.034 0.000 0.887 564 L CB 1.838 43.925 42.059 0.046 0.000 1.126 564 L HN -0.026 nan 8.230 nan 0.000 0.509 565 P HA -0.084 nan 4.420 nan 0.000 0.222 565 P C 1.462 178.761 177.300 -0.000 0.000 1.147 565 P CA 0.789 63.886 63.100 -0.005 0.000 0.790 565 P CB 0.348 32.044 31.700 -0.007 0.000 0.780 566 G N -1.275 107.532 108.800 0.012 0.000 3.042 566 G HA2 -0.030 3.927 3.960 -0.005 0.000 0.212 566 G HA3 -0.030 3.927 3.960 -0.005 0.000 0.212 566 G C 0.109 175.025 174.900 0.026 0.000 1.166 566 G CA -0.128 44.980 45.100 0.013 0.000 0.767 566 G HN 0.289 nan 8.290 nan 0.000 0.546 567 N N 0.630 119.359 118.700 0.049 0.000 2.851 567 N HA 0.371 5.107 4.740 -0.005 0.000 0.248 567 N C -0.442 175.168 175.510 0.166 0.000 1.221 567 N CA -0.483 52.622 53.050 0.092 0.000 0.847 567 N CB 1.147 39.688 38.487 0.090 0.000 1.150 567 N HN 0.135 nan 8.380 nan 0.000 0.507 568 R N 1.443 122.000 120.500 0.095 0.000 2.404 568 R HA 0.596 4.933 4.340 -0.005 0.000 0.291 568 R C -0.586 175.790 176.300 0.128 0.000 1.025 568 R CA -0.576 55.530 56.100 0.011 0.000 0.991 568 R CB 0.781 31.039 30.300 -0.070 0.000 1.053 568 R HN 0.383 nan 8.270 nan 0.000 0.479 569 F N -2.196 117.749 119.950 -0.008 0.000 2.629 569 F HA 0.656 5.180 4.527 -0.005 0.000 0.316 569 F C -0.796 175.029 175.800 0.041 0.000 1.081 569 F CA -1.141 56.871 58.000 0.019 0.000 0.954 569 F CB 1.883 40.897 39.000 0.025 0.000 1.337 569 F HN 0.164 nan 8.300 nan 0.000 0.474 570 T N 2.798 117.490 114.554 0.229 0.000 2.841 570 T HA 0.685 5.032 4.350 -0.005 0.000 0.285 570 T C -0.803 174.094 174.700 0.327 0.000 0.991 570 T CA -0.519 61.677 62.100 0.159 0.000 0.966 570 T CB 1.322 70.256 68.868 0.110 0.000 0.962 570 T HN 0.558 nan 8.240 nan 0.000 0.438 571 L N 1.890 123.265 121.223 0.253 0.000 2.323 571 L HA 0.579 4.915 4.340 -0.005 0.000 0.265 571 L C 0.361 177.337 176.870 0.176 0.000 1.012 571 L CA -1.185 53.819 54.840 0.273 0.000 0.820 571 L CB 1.964 44.150 42.059 0.212 0.000 1.334 571 L HN 0.508 nan 8.230 nan 0.000 0.427 572 E N 0.062 120.345 120.200 0.138 0.000 2.349 572 E HA 0.472 4.818 4.350 -0.005 0.000 0.265 572 E C -0.231 176.429 176.600 0.100 0.000 1.064 572 E CA -0.114 56.338 56.400 0.087 0.000 0.886 572 E CB 1.779 31.489 29.700 0.017 0.000 1.036 572 E HN 0.765 nan 8.360 nan 0.000 0.413 573 G N 0.801 109.640 108.800 0.064 0.000 3.214 573 G HA2 0.083 4.039 3.960 -0.005 0.000 0.188 573 G HA3 0.083 4.039 3.960 -0.005 0.000 0.188 573 G C -1.305 173.616 174.900 0.036 0.000 1.126 573 G CA -0.598 44.553 45.100 0.085 0.000 0.796 573 G HN 0.486 nan 8.290 nan 0.000 0.631 574 Y N 1.498 121.747 120.300 -0.085 0.000 2.811 574 Y HA 0.318 4.864 4.550 -0.006 0.000 0.334 574 Y C 0.273 176.115 175.900 -0.097 0.000 1.247 574 Y CA 0.622 58.651 58.100 -0.119 0.000 1.526 574 Y CB 0.463 38.827 38.460 -0.160 0.000 1.284 574 Y HN 0.193 nan 8.280 nan 0.000 0.586 575 T N 9.538 123.672 114.554 -0.699 0.000 2.821 575 T HA 0.289 4.636 4.350 -0.005 0.000 0.307 575 T C -2.663 171.564 174.700 -0.787 0.000 1.034 575 T CA -1.472 60.304 62.100 -0.539 0.000 0.953 575 T CB 0.954 69.614 68.868 -0.346 0.000 0.968 575 T HN 0.402 nan 8.240 nan 0.000 0.462 576 P HA 0.126 nan 4.420 nan 0.000 0.267 576 P C -0.059 177.121 177.300 -0.201 0.000 1.205 576 P CA -0.373 62.576 63.100 -0.252 0.000 0.765 576 P CB 0.500 32.157 31.700 -0.072 0.000 0.828 577 Q N 2.387 122.103 119.800 -0.140 0.000 2.312 577 Q HA 0.084 4.420 4.340 -0.005 0.000 0.236 577 Q C 0.799 176.762 176.000 -0.061 0.000 0.965 577 Q CA 0.124 55.879 55.803 -0.080 0.000 0.894 577 Q CB 0.430 29.149 28.738 -0.032 0.000 1.225 577 Q HN 0.497 nan 8.270 nan 0.000 0.478 578 D N -1.309 119.081 120.400 -0.017 0.000 2.339 578 D HA -0.029 4.608 4.640 -0.005 0.000 0.217 578 D C -0.161 176.053 176.300 -0.144 0.000 1.050 578 D CA 0.527 54.482 54.000 -0.074 0.000 0.856 578 D CB 0.272 41.045 40.800 -0.044 0.000 0.922 578 D HN 0.339 nan 8.370 nan 0.000 0.518 579 H N -0.161 118.834 119.070 -0.125 0.000 2.600 579 H HA 0.532 5.085 4.556 -0.005 0.000 0.357 579 H C -0.908 174.332 175.328 -0.147 0.000 1.106 579 H CA -1.064 54.898 56.048 -0.143 0.000 1.193 579 H CB 2.441 32.207 29.762 0.008 0.000 1.594 579 H HN -0.003 nan 8.280 nan 0.000 0.526 580 L N 1.126 122.251 121.223 -0.164 0.000 2.434 580 L HA 0.574 4.911 4.340 -0.005 0.000 0.260 580 L C -1.242 175.558 176.870 -0.116 0.000 0.983 580 L CA -0.806 53.959 54.840 -0.126 0.000 0.820 580 L CB 1.924 43.890 42.059 -0.156 0.000 1.361 580 L HN 0.404 nan 8.230 nan 0.000 0.410 581 N N 1.684 120.353 118.700 -0.052 0.000 2.258 581 N HA 0.713 5.450 4.740 -0.005 0.000 0.299 581 N C -1.333 174.158 175.510 -0.031 0.000 1.047 581 N CA -0.633 52.453 53.050 0.061 0.000 0.814 581 N CB 2.479 41.176 38.487 0.350 0.000 1.413 581 N HN 0.754 nan 8.380 nan 0.000 0.478 582 R N -0.448 120.069 120.500 0.028 0.000 2.673 582 R HA 0.749 5.086 4.340 -0.005 0.000 0.281 582 R C -0.766 175.722 176.300 0.313 0.000 0.991 582 R CA -1.115 55.049 56.100 0.106 0.000 0.896 582 R CB 1.660 31.949 30.300 -0.019 0.000 1.201 582 R HN 0.286 nan 8.270 nan 0.000 0.457 583 V N -1.569 118.615 119.914 0.450 0.000 2.823 583 V HA 0.801 4.917 4.120 -0.005 0.000 0.312 583 V C -0.553 175.687 176.094 0.243 0.000 1.072 583 V CA -0.615 61.915 62.300 0.383 0.000 0.937 583 V CB 2.169 34.230 31.823 0.397 0.000 1.013 583 V HN 0.752 nan 8.190 nan 0.000 0.430 584 S N 4.487 120.313 115.700 0.211 0.000 2.557 584 S HA 0.815 5.281 4.470 -0.005 0.000 0.291 584 S C -0.720 173.990 174.600 0.184 0.000 1.116 584 S CA -0.614 57.677 58.200 0.151 0.000 0.992 584 S CB 1.382 64.656 63.200 0.125 0.000 1.028 584 S HN 0.763 nan 8.310 nan 0.000 0.484 585 L N 2.032 123.358 121.223 0.171 0.000 2.342 585 L HA 0.955 5.291 4.340 -0.005 0.000 0.271 585 L C 0.412 177.257 176.870 -0.041 0.000 1.008 585 L CA -0.698 54.200 54.840 0.096 0.000 0.818 585 L CB 2.131 44.285 42.059 0.158 0.000 1.296 585 L HN 0.808 nan 8.230 nan 0.000 0.427 586 G N 1.255 109.798 108.800 -0.429 0.000 2.677 586 G HA2 0.707 4.664 3.960 -0.005 0.000 0.291 586 G HA3 0.707 4.664 3.960 -0.005 0.000 0.291 586 G C -1.880 172.358 174.900 -1.102 0.000 1.435 586 G CA -0.448 44.144 45.100 -0.846 0.000 0.826 586 G HN 0.497 nan 8.290 nan 0.000 0.491 587 F N -0.891 118.704 119.950 -0.591 0.000 2.626 587 F HA 0.891 5.415 4.527 -0.005 0.000 0.311 587 F C -0.631 175.299 175.800 0.216 0.000 1.088 587 F CA -1.501 56.390 58.000 -0.183 0.000 0.949 587 F CB 2.161 41.129 39.000 -0.055 0.000 1.322 587 F HN 0.584 nan 8.300 nan 0.000 0.461 588 S N 1.545 117.524 115.700 0.465 0.000 2.594 588 S HA 0.577 5.044 4.470 -0.005 0.000 0.296 588 S C -1.726 173.118 174.600 0.406 0.000 1.124 588 S CA -0.360 58.038 58.200 0.330 0.000 1.011 588 S CB 1.446 64.815 63.200 0.282 0.000 1.016 588 S HN 0.886 nan 8.310 nan 0.000 0.485 589 Q N 3.566 123.590 119.800 0.374 0.000 2.290 589 Q HA 0.416 4.753 4.340 -0.005 0.000 0.269 589 Q C -1.253 174.864 176.000 0.195 0.000 1.016 589 Q CA -0.422 55.555 55.803 0.291 0.000 0.754 589 Q CB 1.042 29.961 28.738 0.302 0.000 1.247 589 Q HN 0.597 nan 8.270 nan 0.000 0.451 590 K N 4.134 124.624 120.400 0.149 0.000 2.451 590 K HA 0.109 4.426 4.320 -0.005 0.000 0.280 590 K C 0.235 176.892 176.600 0.095 0.000 1.020 590 K CA 0.228 56.581 56.287 0.109 0.000 1.008 590 K CB 0.594 33.147 32.500 0.089 0.000 0.917 590 K HN 0.739 nan 8.250 nan 0.000 0.478 591 L N 1.836 123.109 121.223 0.082 0.000 2.556 591 L HA 0.237 4.574 4.340 -0.005 0.000 0.226 591 L C 0.527 177.427 176.870 0.050 0.000 1.089 591 L CA -0.109 54.772 54.840 0.067 0.000 0.864 591 L CB 0.368 42.468 42.059 0.068 0.000 1.067 591 L HN 0.659 nan 8.230 nan 0.000 0.477 592 A N -0.966 121.882 122.820 0.047 0.000 2.567 592 A HA 0.584 4.900 4.320 -0.005 0.000 0.291 592 A C -2.810 174.794 177.584 0.034 0.000 1.048 592 A CA -0.884 51.173 52.037 0.034 0.000 0.661 592 A CB 0.309 19.324 19.000 0.024 0.000 1.288 592 A HN -0.241 nan 8.150 nan 0.000 0.424 593 P HA 0.266 nan 4.420 nan 0.000 0.261 593 P C 0.021 177.333 177.300 0.019 0.000 1.183 593 P CA 1.252 64.368 63.100 0.025 0.000 0.761 593 P CB 0.228 31.941 31.700 0.020 0.000 0.785 594 E N -0.677 119.538 120.200 0.025 0.000 4.202 594 E HA -0.230 4.116 4.350 -0.005 0.000 0.388 594 E C -0.094 176.515 176.600 0.015 0.000 0.580 594 E CA 0.479 56.888 56.400 0.016 0.000 1.386 594 E CB -1.306 28.386 29.700 -0.012 0.000 1.836 594 E HN 0.228 nan 8.360 nan 0.000 0.378 595 L N 1.188 122.428 121.223 0.029 0.000 2.372 595 L HA 0.507 4.844 4.340 -0.005 0.000 0.273 595 L C -0.998 175.912 176.870 0.067 0.000 0.989 595 L CA -0.187 54.676 54.840 0.039 0.000 0.841 595 L CB 2.104 44.178 42.059 0.024 0.000 1.225 595 L HN -0.050 nan 8.230 nan 0.000 0.414 596 S N 4.653 120.403 115.700 0.084 0.000 2.472 596 S HA 0.674 5.140 4.470 -0.005 0.000 0.303 596 S C -0.943 173.720 174.600 0.105 0.000 1.099 596 S CA -0.480 57.781 58.200 0.101 0.000 1.077 596 S CB 1.658 64.919 63.200 0.101 0.000 1.031 596 S HN 0.619 nan 8.310 nan 0.000 0.487 597 L N 3.998 125.301 121.223 0.133 0.000 2.292 597 L HA 0.602 4.939 4.340 -0.005 0.000 0.284 597 L C -0.423 176.474 176.870 0.045 0.000 1.065 597 L CA 0.230 55.151 54.840 0.135 0.000 0.806 597 L CB 0.525 42.716 42.059 0.221 0.000 1.175 597 L HN 0.621 nan 8.230 nan 0.000 0.431 598 R N 3.146 123.570 120.500 -0.126 0.000 2.686 598 R HA 0.813 5.150 4.340 -0.005 0.000 0.283 598 R C -0.721 175.204 176.300 -0.625 0.000 0.978 598 R CA -0.741 55.093 56.100 -0.444 0.000 0.897 598 R CB 2.096 32.288 30.300 -0.179 0.000 1.192 598 R HN 0.856 nan 8.270 nan 0.000 0.457 599 G N -0.020 108.063 108.800 -1.195 0.000 2.563 599 G HA2 0.692 4.648 3.960 -0.005 0.000 0.302 599 G HA3 0.692 4.648 3.960 -0.005 0.000 0.302 599 G C -1.181 173.575 174.900 -0.240 0.000 1.301 599 G CA -0.903 43.868 45.100 -0.547 0.000 0.965 599 G HN 0.640 nan 8.290 nan 0.000 0.480 600 G N -1.063 107.727 108.800 -0.016 0.000 2.667 600 G HA2 0.573 4.530 3.960 -0.005 0.000 0.298 600 G HA3 0.573 4.530 3.960 -0.005 0.000 0.298 600 G C -2.162 172.835 174.900 0.162 0.000 1.377 600 G CA -0.648 44.486 45.100 0.056 0.000 0.964 600 G HN 0.824 nan 8.290 nan 0.000 0.493 601 Y N 1.829 122.161 120.300 0.054 0.000 2.406 601 Y HA 0.594 5.141 4.550 -0.005 0.000 0.340 601 Y C -0.829 175.134 175.900 0.105 0.000 0.975 601 Y CA -1.264 56.884 58.100 0.080 0.000 1.056 601 Y CB 1.742 40.252 38.460 0.082 0.000 1.210 601 Y HN 0.472 nan 8.280 nan 0.000 0.448 602 N N 4.818 123.089 118.700 -0.715 0.000 2.269 602 N HA 0.235 4.972 4.740 -0.005 0.000 0.304 602 N C -2.186 172.930 175.510 -0.657 0.000 1.072 602 N CA -0.483 52.253 53.050 -0.523 0.000 0.802 602 N CB 2.409 40.763 38.487 -0.221 0.000 1.348 602 N HN 0.847 nan 8.380 nan 0.000 0.484 603 W N 2.860 123.878 121.300 -0.471 0.000 2.647 603 W HA 0.398 5.055 4.660 -0.005 0.000 0.328 603 W C -1.072 175.391 176.519 -0.093 0.000 1.018 603 W CA -0.607 56.597 57.345 -0.236 0.000 1.245 603 W CB 0.870 30.298 29.460 -0.054 0.000 1.356 603 W HN 0.341 nan 8.180 nan 0.000 0.443 604 R N 4.679 124.753 120.500 -0.710 0.000 2.534 604 R HA 0.492 4.829 4.340 -0.005 0.000 0.301 604 R C -1.159 174.573 176.300 -0.947 0.000 0.961 604 R CA -1.226 54.453 56.100 -0.702 0.000 0.871 604 R CB 2.130 32.210 30.300 -0.367 0.000 1.170 604 R HN 0.161 nan 8.270 nan 0.000 0.446 605 K N 1.183 121.039 120.400 -0.906 0.000 2.463 605 K HA 0.473 4.789 4.320 -0.005 0.000 0.255 605 K C -0.665 175.773 176.600 -0.271 0.000 0.942 605 K CA -0.367 55.535 56.287 -0.641 0.000 0.814 605 K CB 1.889 33.957 32.500 -0.719 0.000 1.122 605 K HN 0.733 nan 8.250 nan 0.000 0.425 606 G N 1.352 110.053 108.800 -0.165 0.000 2.753 606 G HA2 0.156 4.113 3.960 -0.005 0.000 0.285 606 G HA3 0.156 4.113 3.960 -0.005 0.000 0.285 606 G C -0.019 174.881 174.900 0.000 0.000 1.344 606 G CA -0.419 44.650 45.100 -0.053 0.000 1.050 606 G HN 0.734 nan 8.290 nan 0.000 0.532 607 E N -1.030 119.193 120.200 0.038 0.000 2.150 607 E HA -0.093 4.254 4.350 -0.005 0.000 0.193 607 E C 0.310 176.971 176.600 0.103 0.000 0.985 607 E CA 0.983 57.428 56.400 0.074 0.000 0.814 607 E CB 0.213 29.952 29.700 0.064 0.000 0.752 607 E HN 0.375 nan 8.360 nan 0.000 0.466 608 D N 0.832 121.274 120.400 0.069 0.000 2.538 608 D HA 0.070 4.707 4.640 -0.005 0.000 0.231 608 D C -0.580 175.731 176.300 0.018 0.000 1.229 608 D CA 0.154 54.183 54.000 0.048 0.000 0.828 608 D CB 0.447 41.324 40.800 0.128 0.000 1.035 608 D HN 0.230 nan 8.370 nan 0.000 0.495 609 D N -1.082 119.299 120.400 -0.032 0.000 2.683 609 D HA 0.174 4.811 4.640 -0.005 0.000 0.246 609 D C -1.113 175.068 176.300 -0.199 0.000 1.238 609 D CA -0.351 53.579 54.000 -0.117 0.000 0.759 609 D CB 1.291 42.046 40.800 -0.075 0.000 1.349 609 D HN -0.280 nan 8.370 nan 0.000 0.426 610 T N 0.797 115.188 114.554 -0.273 0.000 2.921 610 T HA 0.498 4.845 4.350 -0.005 0.000 0.297 610 T C -0.705 173.805 174.700 -0.318 0.000 1.013 610 T CA -0.662 61.263 62.100 -0.293 0.000 0.990 610 T CB 1.835 70.617 68.868 -0.145 0.000 1.023 610 T HN 0.332 nan 8.240 nan 0.000 0.447 611 Q N 1.812 121.408 119.800 -0.340 0.000 2.365 611 Q HA 0.645 4.982 4.340 -0.005 0.000 0.269 611 Q C -0.852 175.029 176.000 -0.198 0.000 1.061 611 Q CA -0.885 54.764 55.803 -0.256 0.000 0.816 611 Q CB 2.598 31.192 28.738 -0.239 0.000 1.325 611 Q HN 0.528 nan 8.270 nan 0.000 0.446 612 Q N 0.489 120.233 119.800 -0.093 0.000 2.456 612 Q HA 0.712 5.049 4.340 -0.005 0.000 0.283 612 Q C -1.490 174.504 176.000 -0.011 0.000 1.084 612 Q CA -0.708 55.073 55.803 -0.037 0.000 0.801 612 Q CB 2.750 31.568 28.738 0.135 0.000 1.434 612 Q HN 0.736 nan 8.270 nan 0.000 0.419 613 S N -0.774 114.906 115.700 -0.032 0.000 2.535 613 S HA 0.761 5.227 4.470 -0.005 0.000 0.272 613 S C -1.023 173.629 174.600 0.087 0.000 1.149 613 S CA -0.801 57.422 58.200 0.039 0.000 0.888 613 S CB 1.139 64.355 63.200 0.026 0.000 1.110 613 S HN 0.583 nan 8.310 nan 0.000 0.463 614 V N -0.284 119.718 119.914 0.146 0.000 2.823 614 V HA 1.024 5.141 4.120 -0.005 0.000 0.312 614 V C -0.305 175.855 176.094 0.111 0.000 1.072 614 V CA -0.483 61.923 62.300 0.176 0.000 0.937 614 V CB 1.215 33.167 31.823 0.214 0.000 1.013 614 V HN 1.472 nan 8.190 nan 0.000 0.430 615 S N 3.363 119.119 115.700 0.094 0.000 2.564 615 S HA 0.876 5.342 4.470 -0.005 0.000 0.274 615 S C -1.178 173.451 174.600 0.048 0.000 1.124 615 S CA -0.820 57.415 58.200 0.058 0.000 0.869 615 S CB 1.894 65.110 63.200 0.026 0.000 1.105 615 S HN 0.898 nan 8.310 nan 0.000 0.472 616 L N 1.200 122.452 121.223 0.048 0.000 2.408 616 L HA 0.896 5.233 4.340 -0.005 0.000 0.268 616 L C -0.484 176.414 176.870 0.048 0.000 0.986 616 L CA -0.701 54.165 54.840 0.044 0.000 0.820 616 L CB 2.100 44.212 42.059 0.087 0.000 1.303 616 L HN 1.092 nan 8.230 nan 0.000 0.411 617 A N 3.694 126.531 122.820 0.029 0.000 2.587 617 A HA 0.846 5.163 4.320 -0.005 0.000 0.293 617 A C -1.704 175.933 177.584 0.089 0.000 1.087 617 A CA -0.497 51.586 52.037 0.076 0.000 0.692 617 A CB 1.855 20.889 19.000 0.056 0.000 1.291 617 A HN 0.595 nan 8.150 nan 0.000 0.407 618 L N 1.118 122.425 121.223 0.140 0.000 2.322 618 L HA 0.631 4.968 4.340 -0.005 0.000 0.281 618 L C 0.283 177.268 176.870 0.192 0.000 1.014 618 L CA -0.509 54.413 54.840 0.136 0.000 0.815 618 L CB 2.028 44.158 42.059 0.118 0.000 1.247 618 L HN 0.659 nan 8.230 nan 0.000 0.421 619 S N 3.112 118.911 115.700 0.165 0.000 2.475 619 S HA 0.784 5.251 4.470 -0.005 0.000 0.298 619 S C -0.998 173.689 174.600 0.144 0.000 1.119 619 S CA -0.464 57.860 58.200 0.207 0.000 1.085 619 S CB 1.256 64.557 63.200 0.168 0.000 1.028 619 S HN 0.411 nan 8.310 nan 0.000 0.489 620 L N 3.791 125.106 121.223 0.153 0.000 2.455 620 L HA 0.625 4.962 4.340 -0.005 0.000 0.264 620 L C -1.709 175.157 176.870 -0.005 0.000 0.968 620 L CA -0.300 54.538 54.840 -0.003 0.000 0.827 620 L CB 2.247 44.204 42.059 -0.169 0.000 1.317 620 L HN 0.534 nan 8.230 nan 0.000 0.407 621 D N 3.814 124.184 120.400 -0.050 0.000 2.225 621 D HA 0.480 5.117 4.640 -0.005 0.000 0.248 621 D C -0.691 175.567 176.300 -0.070 0.000 1.096 621 D CA 0.450 54.481 54.000 0.053 0.000 0.863 621 D CB 0.868 41.715 40.800 0.078 0.000 1.156 621 D HN 0.227 nan 8.370 nan 0.000 0.450 622 F N 0.000 120.055 119.950 0.175 0.000 2.286 622 F HA 0.000 4.524 4.527 -0.005 0.000 0.279 622 F CA 0.000 58.103 58.000 0.171 0.000 1.383 622 F CB 0.000 39.126 39.000 0.209 0.000 1.145 622 F HN 0.000 nan 8.300 nan 0.000 0.574