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 2xzj_1_A DATA FIRST_RESID 21 DATA SEQUENCE INDPAKSAAP YHDEFPLFRS ANMASPDKLS TGIGFHSFRI PAVVRTTTGR DATA SEQUENCE ILAFAEGRRH TNQDFGDINL VYKRTKTTAN NGASPSDWEP LREVVGSGAG DATA SEQUENCE TWGNPTPVVD DDNTIYLFLS WNGATYSQNG KDVLPDGTVT KKIDSTWEGR DATA SEQUENCE RHLYLTESRD DGNTWSKPVD LTKELTPDGW AWDAVGPGNG IRLTTGELVI DATA SEQUENCE PAMGRNIIGR GAPGNRTWSV QRLSGAGAEG TIVQTPDGKL YRNDRPSQKG DATA SEQUENCE YRMVARGTLE GFGAFAPDAG LPDPACQGSV LRYNSDAPAR TIFLNSASGT DATA SEQUENCE SRRAMRVRIS YDADAKKFNY GRKLEDAKVS GAGHEGGYSS MTKTGDYKIG DATA SEQUENCE ALVESDFFND GTGKNSYRAI IWRRFNLSWI LNGPNN 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 21 I HA 0.000 nan 4.170 nan 0.000 0.288 21 I C 0.000 175.981 176.117 -0.226 0.000 1.063 21 I CA 0.000 61.180 61.300 -0.201 0.000 1.566 21 I CB 0.000 37.931 38.000 -0.115 0.000 1.214 22 N N 3.349 121.953 118.700 -0.161 0.000 2.518 22 N HA 0.292 5.033 4.740 0.001 0.000 0.266 22 N C -0.794 174.633 175.510 -0.138 0.000 1.196 22 N CA 0.045 53.023 53.050 -0.121 0.000 0.947 22 N CB 0.661 39.106 38.487 -0.070 0.000 1.098 22 N HN 0.117 nan 8.380 nan 0.000 0.450 23 D N 0.866 121.217 120.400 -0.081 0.000 2.542 23 D HA 0.199 4.840 4.640 0.001 0.000 0.252 23 D C -1.860 174.452 176.300 0.020 0.000 1.222 23 D CA -2.187 51.803 54.000 -0.017 0.000 0.895 23 D CB 1.656 42.482 40.800 0.044 0.000 1.207 23 D HN 0.286 nan 8.370 nan 0.000 0.558 24 P HA -0.078 nan 4.420 nan 0.000 0.222 24 P C 1.049 178.376 177.300 0.046 0.000 1.147 24 P CA 0.510 63.628 63.100 0.030 0.000 0.790 24 P CB 0.319 32.037 31.700 0.030 0.000 0.780 25 A N 0.664 123.525 122.820 0.067 0.000 1.969 25 A HA -0.162 4.158 4.320 0.001 0.000 0.218 25 A C 2.354 179.985 177.584 0.079 0.000 1.169 25 A CA 1.507 53.592 52.037 0.081 0.000 0.635 25 A CB -1.097 17.959 19.000 0.095 0.000 0.810 25 A HN 0.133 nan 8.150 nan 0.000 0.445 26 K N 0.509 120.949 120.400 0.066 0.000 2.211 26 K HA -0.152 4.169 4.320 0.001 0.000 0.204 26 K C 2.016 178.646 176.600 0.049 0.000 1.047 26 K CA 1.604 57.925 56.287 0.055 0.000 0.935 26 K CB -0.130 32.391 32.500 0.035 0.000 0.728 26 K HN 0.646 nan 8.250 nan 0.000 0.452 27 S N -0.459 115.267 115.700 0.044 0.000 2.527 27 S HA 0.156 4.627 4.470 0.001 0.000 0.222 27 S C 0.691 175.321 174.600 0.050 0.000 0.985 27 S CA -0.032 58.191 58.200 0.038 0.000 0.921 27 S CB 0.070 63.286 63.200 0.026 0.000 0.772 27 S HN 0.285 nan 8.310 nan 0.000 0.529 28 A N 1.603 124.461 122.820 0.065 0.000 2.386 28 A HA 0.703 5.023 4.320 0.001 0.000 0.248 28 A C 0.669 178.314 177.584 0.102 0.000 1.082 28 A CA -0.097 51.987 52.037 0.077 0.000 0.789 28 A CB -0.298 18.754 19.000 0.087 0.000 1.025 28 A HN 0.927 nan 8.150 nan 0.000 0.490 29 A N 3.568 126.452 122.820 0.108 0.000 2.522 29 A HA 0.485 4.806 4.320 0.001 0.000 0.256 29 A C -2.053 175.650 177.584 0.199 0.000 1.086 29 A CA -0.893 51.226 52.037 0.136 0.000 0.763 29 A CB -0.685 18.392 19.000 0.129 0.000 1.024 29 A HN 0.628 nan 8.150 nan 0.000 0.502 30 P HA 0.173 nan 4.420 nan 0.000 0.271 30 P C -1.060 176.484 177.300 0.406 0.000 1.216 30 P CA 0.454 63.754 63.100 0.333 0.000 0.776 30 P CB 0.367 32.254 31.700 0.312 0.000 0.881 31 Y N 3.038 123.522 120.300 0.306 0.000 2.421 31 Y HA 0.510 5.061 4.550 0.001 0.000 0.339 31 Y C -0.734 175.245 175.900 0.132 0.000 0.996 31 Y CA -0.696 57.514 58.100 0.183 0.000 1.046 31 Y CB 1.581 40.112 38.460 0.120 0.000 1.226 31 Y HN 0.643 nan 8.280 nan 0.000 0.445 32 H N 2.663 121.391 119.070 -0.571 0.000 2.996 32 H HA 0.736 5.292 4.556 0.001 0.000 0.368 32 H C -2.123 172.808 175.328 -0.662 0.000 1.185 32 H CA -0.910 54.767 56.048 -0.618 0.000 1.160 32 H CB 2.181 31.414 29.762 -0.882 0.000 1.820 32 H HN 0.552 nan 8.280 nan 0.000 0.547 33 D N 1.804 121.949 120.400 -0.425 0.000 2.654 33 D HA 0.347 4.987 4.640 0.001 0.000 0.231 33 D C -1.186 175.041 176.300 -0.121 0.000 1.239 33 D CA -0.780 53.065 54.000 -0.259 0.000 0.790 33 D CB 2.370 43.062 40.800 -0.180 0.000 1.480 33 D HN 0.844 nan 8.370 nan 0.000 0.442 34 E N 0.386 120.579 120.200 -0.011 0.000 2.363 34 E HA 0.624 4.975 4.350 0.001 0.000 0.281 34 E C -1.300 175.361 176.600 0.102 0.000 0.953 34 E CA -0.847 55.494 56.400 -0.098 0.000 0.778 34 E CB 1.556 31.207 29.700 -0.082 0.000 1.220 34 E HN 0.527 nan 8.360 nan 0.000 0.431 35 F N -2.339 117.646 119.950 0.057 0.000 2.725 35 F HA 0.623 5.150 4.527 0.001 0.000 0.309 35 F C -3.137 172.692 175.800 0.049 0.000 1.132 35 F CA -2.363 55.670 58.000 0.054 0.000 0.957 35 F CB 0.877 39.915 39.000 0.064 0.000 1.286 35 F HN 0.055 nan 8.300 nan 0.000 0.440 36 P HA 0.209 nan 4.420 nan 0.000 0.271 36 P C 0.037 177.398 177.300 0.101 0.000 1.216 36 P CA -0.048 63.125 63.100 0.122 0.000 0.771 36 P CB 1.275 33.050 31.700 0.124 0.000 0.864 37 L N 2.886 124.065 121.223 -0.074 0.000 2.609 37 L HA 0.428 4.769 4.340 0.001 0.000 0.230 37 L C -0.232 176.246 176.870 -0.653 0.000 1.064 37 L CA 0.929 55.528 54.840 -0.400 0.000 0.873 37 L CB 0.104 41.742 42.059 -0.701 0.000 1.139 37 L HN 0.113 nan 8.230 nan 0.000 0.490 38 F N 1.295 121.055 119.950 -0.317 0.000 2.434 38 F HA 0.496 5.023 4.527 0.001 0.000 0.355 38 F C 0.087 175.753 175.800 -0.222 0.000 1.115 38 F CA -0.628 57.043 58.000 -0.548 0.000 1.010 38 F CB 0.865 39.385 39.000 -0.800 0.000 1.234 38 F HN -0.266 nan 8.300 nan 0.000 0.439 39 R N 1.990 122.483 120.500 -0.013 0.000 2.202 39 R HA 0.405 4.745 4.340 0.001 0.000 0.334 39 R C 0.233 176.774 176.300 0.402 0.000 1.036 39 R CA -0.478 55.734 56.100 0.187 0.000 0.878 39 R CB 1.034 31.383 30.300 0.081 0.000 1.067 39 R HN 0.681 nan 8.270 nan 0.000 0.457 40 S N 1.747 117.698 115.700 0.418 0.000 2.596 40 S HA 0.078 4.548 4.470 0.001 0.000 0.260 40 S C 1.481 176.122 174.600 0.070 0.000 1.336 40 S CA -0.280 58.114 58.200 0.323 0.000 0.993 40 S CB 1.116 64.486 63.200 0.283 0.000 0.923 40 S HN 0.693 nan 8.310 nan 0.000 0.567 41 A N 1.513 124.325 122.820 -0.013 0.000 2.070 41 A HA -0.156 4.165 4.320 0.001 0.000 0.220 41 A C 2.011 179.382 177.584 -0.354 0.000 1.159 41 A CA 1.527 53.502 52.037 -0.103 0.000 0.656 41 A CB -1.073 17.930 19.000 0.004 0.000 0.800 41 A HN 0.936 nan 8.150 nan 0.000 0.453 42 N N -0.597 117.627 118.700 -0.792 0.000 2.463 42 N HA 0.025 4.766 4.740 0.001 0.000 0.181 42 N C 0.530 175.713 175.510 -0.544 0.000 1.078 42 N CA 0.248 52.745 53.050 -0.923 0.000 0.902 42 N CB -0.374 37.118 38.487 -1.659 0.000 0.970 42 N HN 0.499 nan 8.380 nan 0.000 0.451 43 M N 0.658 120.042 119.600 -0.360 0.000 2.291 43 M HA 0.450 4.930 4.480 0.001 0.000 0.324 43 M C 0.406 176.645 176.300 -0.101 0.000 1.148 43 M CA -0.837 54.357 55.300 -0.176 0.000 1.104 43 M CB 1.386 33.974 32.600 -0.020 0.000 1.483 43 M HN -0.003 nan 8.290 nan 0.000 0.467 44 A N 1.041 123.826 122.820 -0.058 0.000 2.483 44 A HA 0.253 4.574 4.320 0.001 0.000 0.238 44 A C 0.606 178.178 177.584 -0.020 0.000 1.070 44 A CA -0.133 51.881 52.037 -0.038 0.000 0.770 44 A CB -0.243 18.743 19.000 -0.024 0.000 1.008 44 A HN 0.930 nan 8.150 nan 0.000 0.497 45 S N 1.374 117.063 115.700 -0.019 0.000 3.405 45 S HA -0.105 4.366 4.470 0.001 0.000 0.373 45 S C -2.073 172.531 174.600 0.007 0.000 0.939 45 S CA 0.724 58.918 58.200 -0.010 0.000 1.295 45 S CB -1.759 61.431 63.200 -0.016 0.000 0.919 45 S HN 0.804 nan 8.310 nan 0.000 0.535 46 P HA 0.188 nan 4.420 nan 0.000 0.269 46 P C -0.284 177.084 177.300 0.114 0.000 1.209 46 P CA -0.128 63.019 63.100 0.078 0.000 0.776 46 P CB 0.536 32.273 31.700 0.063 0.000 0.876 47 D N 2.987 123.501 120.400 0.189 0.000 2.371 47 D HA 0.146 4.787 4.640 0.001 0.000 0.256 47 D C 0.328 176.843 176.300 0.358 0.000 1.193 47 D CA 0.576 54.682 54.000 0.176 0.000 0.881 47 D CB 0.852 41.649 40.800 -0.005 0.000 1.143 47 D HN 0.275 nan 8.370 nan 0.000 0.473 48 K N 1.773 122.308 120.400 0.224 0.000 2.443 48 K HA 0.474 4.795 4.320 0.001 0.000 0.251 48 K C -0.055 176.652 176.600 0.178 0.000 0.972 48 K CA -0.893 55.529 56.287 0.226 0.000 0.833 48 K CB 2.093 34.650 32.500 0.095 0.000 1.317 48 K HN 0.163 nan 8.250 nan 0.000 0.441 49 L N 0.937 122.275 121.223 0.191 0.000 2.475 49 L HA 0.045 4.386 4.340 0.001 0.000 0.253 49 L C 1.859 178.766 176.870 0.062 0.000 1.198 49 L CA 0.053 54.974 54.840 0.135 0.000 0.814 49 L CB 0.881 43.039 42.059 0.166 0.000 1.134 49 L HN 0.899 nan 8.230 nan 0.000 0.478 50 S N -1.790 113.934 115.700 0.041 0.000 2.419 50 S HA -0.173 4.297 4.470 0.001 0.000 0.233 50 S C 1.595 176.207 174.600 0.020 0.000 1.016 50 S CA 1.270 59.483 58.200 0.022 0.000 0.974 50 S CB -0.821 62.388 63.200 0.015 0.000 0.786 50 S HN 0.888 nan 8.310 nan 0.000 0.492 51 T N -2.371 112.199 114.554 0.027 0.000 3.072 51 T HA 0.385 4.736 4.350 0.001 0.000 0.266 51 T C 1.721 176.423 174.700 0.004 0.000 1.127 51 T CA 0.910 63.021 62.100 0.017 0.000 1.107 51 T CB -0.613 68.268 68.868 0.022 0.000 0.910 51 T HN 1.229 nan 8.240 nan 0.000 0.513 52 G N 1.027 109.829 108.800 0.003 0.000 2.176 52 G HA2 -0.167 3.794 3.960 0.001 0.000 0.232 52 G HA3 -0.167 3.794 3.960 0.001 0.000 0.232 52 G C 0.013 174.887 174.900 -0.044 0.000 0.986 52 G CA -0.167 44.925 45.100 -0.012 0.000 0.643 52 G HN 0.540 nan 8.290 nan 0.000 0.522 53 I N 2.267 122.798 120.570 -0.065 0.000 2.533 53 I HA 0.455 4.626 4.170 0.001 0.000 0.284 53 I C 1.292 177.223 176.117 -0.311 0.000 1.109 53 I CA 0.810 61.998 61.300 -0.187 0.000 1.412 53 I CB 0.382 38.270 38.000 -0.186 0.000 1.396 53 I HN 0.196 nan 8.210 nan 0.000 0.543 54 G N 6.001 114.550 108.800 -0.419 0.000 2.667 54 G HA2 0.753 4.714 3.960 0.001 0.000 0.310 54 G HA3 0.753 4.714 3.960 0.001 0.000 0.310 54 G C -1.463 172.934 174.900 -0.839 0.000 1.259 54 G CA -0.414 44.446 45.100 -0.400 0.000 1.019 54 G HN 0.337 nan 8.290 nan 0.000 0.496 55 F N -1.014 118.893 119.950 -0.071 0.000 2.574 55 F HA 0.348 4.876 4.527 0.001 0.000 0.313 55 F C 1.074 176.757 175.800 -0.194 0.000 1.130 55 F CA -0.826 57.025 58.000 -0.248 0.000 0.936 55 F CB 1.998 40.619 39.000 -0.631 0.000 1.219 55 F HN 0.653 nan 8.300 nan 0.000 0.445 56 H N 1.202 120.252 119.070 -0.032 0.000 2.290 56 H HA 0.001 4.558 4.556 0.001 0.000 0.298 56 H C -0.165 175.194 175.328 0.051 0.000 1.087 56 H CA 1.800 57.874 56.048 0.043 0.000 1.291 56 H CB 0.510 30.241 29.762 -0.051 0.000 1.369 56 H HN 0.453 nan 8.280 nan 0.000 0.492 57 S N -1.022 114.685 115.700 0.012 0.000 2.569 57 S HA 0.445 4.916 4.470 0.001 0.000 0.280 57 S C -1.505 172.860 174.600 -0.390 0.000 1.111 57 S CA -0.657 57.526 58.200 -0.027 0.000 0.887 57 S CB 1.861 65.147 63.200 0.143 0.000 1.095 57 S HN 0.178 nan 8.310 nan 0.000 0.476 58 F N 1.807 121.797 119.950 0.065 0.000 2.467 58 F HA 0.637 5.164 4.527 0.001 0.000 0.336 58 F C 0.786 176.524 175.800 -0.103 0.000 1.123 58 F CA -0.563 57.390 58.000 -0.077 0.000 0.964 58 F CB 1.378 40.327 39.000 -0.086 0.000 1.136 58 F HN 0.234 nan 8.300 nan 0.000 0.447 59 R N 2.215 122.701 120.500 -0.024 0.000 2.869 59 R HA 0.619 4.960 4.340 0.001 0.000 0.263 59 R C -1.137 175.080 176.300 -0.139 0.000 1.066 59 R CA -1.156 54.886 56.100 -0.097 0.000 0.960 59 R CB 2.007 32.212 30.300 -0.157 0.000 1.221 59 R HN 0.524 nan 8.270 nan 0.000 0.474 60 I N 0.027 120.493 120.570 -0.173 0.000 6.963 60 I HA -0.140 4.030 4.170 0.001 0.000 0.126 60 I C -2.341 173.774 176.117 -0.004 0.000 1.830 60 I CA -0.234 61.017 61.300 -0.082 0.000 2.046 60 I CB -2.289 35.655 38.000 -0.095 0.000 3.568 60 I HN 0.498 nan 8.210 nan 0.000 0.172 61 P HA 0.530 nan 4.420 nan 0.000 0.274 61 P C -0.314 177.057 177.300 0.119 0.000 1.231 61 P CA -0.086 63.029 63.100 0.025 0.000 0.790 61 P CB 2.124 33.858 31.700 0.057 0.000 0.951 62 A N 1.469 124.393 122.820 0.174 0.000 2.517 62 A HA 0.602 4.923 4.320 0.001 0.000 0.297 62 A C -1.583 176.224 177.584 0.373 0.000 1.050 62 A CA -0.683 51.498 52.037 0.240 0.000 0.694 62 A CB 1.773 20.882 19.000 0.183 0.000 1.277 62 A HN 0.397 nan 8.150 nan 0.000 0.400 63 V N 2.992 123.107 119.914 0.336 0.000 2.808 63 V HA 0.811 4.931 4.120 0.001 0.000 0.308 63 V C -1.078 175.215 176.094 0.331 0.000 1.099 63 V CA -0.167 62.351 62.300 0.363 0.000 0.920 63 V CB 2.039 34.076 31.823 0.358 0.000 1.014 63 V HN 1.796 nan 8.190 nan 0.000 0.425 64 V N 3.677 123.798 119.914 0.345 0.000 2.925 64 V HA 0.710 4.830 4.120 0.001 0.000 0.311 64 V C -0.551 175.674 176.094 0.217 0.000 1.104 64 V CA -1.096 61.369 62.300 0.274 0.000 0.954 64 V CB 1.848 33.847 31.823 0.294 0.000 1.022 64 V HN 1.026 nan 8.190 nan 0.000 0.427 65 R N 2.036 122.632 120.500 0.161 0.000 2.254 65 R HA 0.597 4.937 4.340 0.001 0.000 0.318 65 R C 0.424 176.775 176.300 0.086 0.000 1.031 65 R CA 0.298 56.459 56.100 0.101 0.000 0.905 65 R CB 1.383 31.721 30.300 0.063 0.000 1.050 65 R HN 1.149 nan 8.270 nan 0.000 0.456 66 T N 0.033 114.624 114.554 0.062 0.000 2.788 66 T HA 0.020 4.370 4.350 0.001 0.000 0.280 66 T C 1.559 176.270 174.700 0.017 0.000 0.984 66 T CA 0.025 62.154 62.100 0.048 0.000 0.972 66 T CB 1.276 70.162 68.868 0.031 0.000 1.039 66 T HN 0.714 nan 8.240 nan 0.000 0.530 67 T N -2.092 112.468 114.554 0.009 0.000 2.962 67 T HA -0.113 4.237 4.350 0.001 0.000 0.270 67 T C 1.939 176.628 174.700 -0.018 0.000 1.088 67 T CA 1.551 63.649 62.100 -0.003 0.000 1.127 67 T CB -1.349 67.517 68.868 -0.003 0.000 0.883 67 T HN 0.890 nan 8.240 nan 0.000 0.493 68 T N -2.243 112.296 114.554 -0.025 0.000 3.067 68 T HA 0.404 4.755 4.350 0.001 0.000 0.261 68 T C 2.008 176.682 174.700 -0.044 0.000 1.110 68 T CA 0.912 62.990 62.100 -0.036 0.000 1.113 68 T CB -0.532 68.311 68.868 -0.042 0.000 0.917 68 T HN 0.980 nan 8.240 nan 0.000 0.499 69 G N 1.264 110.039 108.800 -0.042 0.000 2.195 69 G HA2 -0.237 3.723 3.960 0.001 0.000 0.224 69 G HA3 -0.237 3.723 3.960 0.001 0.000 0.224 69 G C 0.185 175.044 174.900 -0.068 0.000 0.990 69 G CA -0.026 45.041 45.100 -0.056 0.000 0.639 69 G HN 0.798 nan 8.290 nan 0.000 0.514 70 R N 0.559 121.019 120.500 -0.068 0.000 2.623 70 R HA 0.507 4.848 4.340 0.001 0.000 0.271 70 R C 0.106 176.361 176.300 -0.075 0.000 1.043 70 R CA 0.031 56.072 56.100 -0.098 0.000 1.083 70 R CB 0.075 30.329 30.300 -0.078 0.000 0.974 70 R HN 0.309 nan 8.270 nan 0.000 0.436 71 I N 5.505 125.984 120.570 -0.151 0.000 2.377 71 I HA 0.253 4.423 4.170 0.001 0.000 0.293 71 I C -0.417 175.678 176.117 -0.036 0.000 0.987 71 I CA -0.687 60.568 61.300 -0.076 0.000 1.185 71 I CB 1.607 39.541 38.000 -0.110 0.000 1.341 71 I HN 0.396 nan 8.210 nan 0.000 0.455 72 L N 6.024 127.293 121.223 0.075 0.000 2.305 72 L HA 0.709 5.049 4.340 0.001 0.000 0.284 72 L C -0.145 176.688 176.870 -0.062 0.000 1.013 72 L CA -0.606 54.236 54.840 0.004 0.000 0.819 72 L CB 1.676 43.757 42.059 0.037 0.000 1.227 72 L HN 0.648 nan 8.230 nan 0.000 0.417 73 A N 4.008 126.776 122.820 -0.087 0.000 2.304 73 A HA 0.836 5.156 4.320 0.001 0.000 0.314 73 A C -1.065 176.491 177.584 -0.045 0.000 1.187 73 A CA -0.297 51.747 52.037 0.012 0.000 0.810 73 A CB 0.485 19.480 19.000 -0.009 0.000 1.183 73 A HN 0.505 nan 8.150 nan 0.000 0.487 74 F N 1.297 121.354 119.950 0.179 0.000 2.507 74 F HA 0.830 5.357 4.527 0.001 0.000 0.327 74 F C 0.605 176.294 175.800 -0.184 0.000 1.068 74 F CA -0.088 57.946 58.000 0.056 0.000 0.965 74 F CB 2.365 41.353 39.000 -0.021 0.000 1.192 74 F HN 0.810 nan 8.300 nan 0.000 0.476 75 A N 0.724 123.493 122.820 -0.086 0.000 2.601 75 A HA 0.547 4.868 4.320 0.001 0.000 0.291 75 A C -1.513 175.987 177.584 -0.141 0.000 1.075 75 A CA -0.909 50.951 52.037 -0.295 0.000 0.671 75 A CB 1.100 19.556 19.000 -0.907 0.000 1.277 75 A HN 0.705 nan 8.150 nan 0.000 0.417 76 E N 0.447 120.574 120.200 -0.122 0.000 2.223 76 E HA 0.416 4.767 4.350 0.001 0.000 0.282 76 E C 0.277 176.779 176.600 -0.164 0.000 1.046 76 E CA -0.103 56.237 56.400 -0.100 0.000 0.857 76 E CB 1.201 30.850 29.700 -0.084 0.000 1.055 76 E HN 0.740 nan 8.360 nan 0.000 0.409 77 G N 4.183 112.795 108.800 -0.314 0.000 2.393 77 G HA2 0.149 4.110 3.960 0.001 0.000 0.311 77 G HA3 0.149 4.110 3.960 0.001 0.000 0.311 77 G C -0.163 174.538 174.900 -0.333 0.000 1.067 77 G CA -0.555 44.041 45.100 -0.841 0.000 1.000 77 G HN 0.424 nan 8.290 nan 0.000 0.422 78 R N 2.865 123.224 120.500 -0.235 0.000 2.196 78 R HA 0.235 4.576 4.340 0.001 0.000 0.340 78 R C 0.981 177.284 176.300 0.006 0.000 1.043 78 R CA -0.761 55.291 56.100 -0.080 0.000 0.883 78 R CB 1.538 31.758 30.300 -0.133 0.000 1.078 78 R HN 0.472 nan 8.270 nan 0.000 0.462 79 R N 1.180 121.653 120.500 -0.045 0.000 2.066 79 R HA -0.094 4.246 4.340 0.001 0.000 0.232 79 R C 1.116 177.187 176.300 -0.381 0.000 1.131 79 R CA 1.408 57.334 56.100 -0.289 0.000 0.955 79 R CB 0.106 30.009 30.300 -0.661 0.000 0.851 79 R HN 0.649 nan 8.270 nan 0.000 0.432 80 H N -1.332 117.716 119.070 -0.038 0.000 2.695 80 H HA 0.172 4.728 4.556 0.001 0.000 0.267 80 H C 0.948 176.099 175.328 -0.296 0.000 0.973 80 H CA 1.024 57.015 56.048 -0.095 0.000 1.223 80 H CB 0.803 30.507 29.762 -0.097 0.000 1.442 80 H HN 0.232 nan 8.280 nan 0.000 0.478 81 T N -0.706 113.659 114.554 -0.315 0.000 2.754 81 T HA 0.124 4.475 4.350 0.001 0.000 0.296 81 T C 0.471 174.891 174.700 -0.467 0.000 1.205 81 T CA -0.626 61.057 62.100 -0.695 0.000 1.009 81 T CB 1.626 70.228 68.868 -0.443 0.000 1.368 81 T HN 0.143 nan 8.240 nan 0.000 0.509 82 N N -0.461 117.995 118.700 -0.406 0.000 2.461 82 N HA 0.064 4.805 4.740 0.001 0.000 0.188 82 N C 0.281 175.642 175.510 -0.248 0.000 1.134 82 N CA -0.126 52.812 53.050 -0.186 0.000 0.878 82 N CB -0.474 37.969 38.487 -0.073 0.000 0.972 82 N HN 0.689 nan 8.380 nan 0.000 0.456 83 Q N 0.159 119.728 119.800 -0.384 0.000 2.432 83 Q HA 0.045 4.385 4.340 0.001 0.000 0.264 83 Q C 0.044 175.723 176.000 -0.535 0.000 1.035 83 Q CA 0.001 55.458 55.803 -0.576 0.000 0.908 83 Q CB 0.640 28.733 28.738 -1.075 0.000 1.280 83 Q HN 0.236 nan 8.270 nan 0.000 0.455 84 D N 0.508 120.639 120.400 -0.449 0.000 2.312 84 D HA -0.002 4.639 4.640 0.001 0.000 0.211 84 D C 0.177 176.423 176.300 -0.090 0.000 0.964 84 D CA 0.825 54.724 54.000 -0.167 0.000 0.877 84 D CB 0.030 40.849 40.800 0.032 0.000 0.924 84 D HN 0.326 nan 8.370 nan 0.000 0.515 85 F N -0.944 118.990 119.950 -0.027 0.000 2.631 85 F HA 0.721 5.249 4.527 0.001 0.000 0.350 85 F C 0.950 176.724 175.800 -0.044 0.000 1.080 85 F CA -0.807 57.172 58.000 -0.035 0.000 1.026 85 F CB 0.612 39.595 39.000 -0.028 0.000 1.347 85 F HN 0.039 nan 8.300 nan 0.000 0.501 86 G N 0.437 109.370 108.800 0.222 0.000 2.660 86 G HA2 -0.108 3.852 3.960 0.001 0.000 0.215 86 G HA3 -0.108 3.852 3.960 0.001 0.000 0.215 86 G C -1.464 173.465 174.900 0.049 0.000 1.345 86 G CA -0.377 44.801 45.100 0.130 0.000 0.877 86 G HN 1.096 nan 8.290 nan 0.000 0.549 87 D N 0.486 120.939 120.400 0.087 0.000 2.342 87 D HA 0.457 5.098 4.640 0.001 0.000 0.260 87 D C 0.383 176.707 176.300 0.042 0.000 1.278 87 D CA 0.296 54.345 54.000 0.082 0.000 0.910 87 D CB -0.303 40.572 40.800 0.125 0.000 1.079 87 D HN 0.567 nan 8.370 nan 0.000 0.496 88 I N 3.652 124.270 120.570 0.080 0.000 2.499 88 I HA 0.265 4.436 4.170 0.001 0.000 0.288 88 I C -0.359 175.876 176.117 0.198 0.000 1.048 88 I CA -1.023 60.331 61.300 0.088 0.000 1.062 88 I CB 1.829 39.837 38.000 0.014 0.000 1.238 88 I HN 0.160 nan 8.210 nan 0.000 0.426 89 N N 5.550 124.365 118.700 0.193 0.000 2.417 89 N HA 0.494 5.234 4.740 0.001 0.000 0.300 89 N C -0.893 174.655 175.510 0.063 0.000 1.102 89 N CA -0.611 52.554 53.050 0.191 0.000 0.886 89 N CB 2.406 41.059 38.487 0.276 0.000 1.203 89 N HN 0.452 nan 8.380 nan 0.000 0.496 90 L N 2.093 123.349 121.223 0.054 0.000 2.283 90 L HA 0.282 4.623 4.340 0.001 0.000 0.287 90 L C -0.173 176.716 176.870 0.033 0.000 1.073 90 L CA -0.449 54.399 54.840 0.013 0.000 0.822 90 L CB 0.197 42.240 42.059 -0.026 0.000 1.186 90 L HN 0.371 nan 8.230 nan 0.000 0.436 91 V N 2.708 122.654 119.914 0.054 0.000 3.093 91 V HA 0.760 4.881 4.120 0.001 0.000 0.320 91 V C -0.816 175.464 176.094 0.310 0.000 1.093 91 V CA -0.587 61.804 62.300 0.151 0.000 1.016 91 V CB 1.680 33.537 31.823 0.055 0.000 1.096 91 V HN 0.719 nan 8.190 nan 0.000 0.452 92 Y N -1.043 119.302 120.300 0.075 0.000 2.689 92 Y HA 0.839 5.390 4.550 0.001 0.000 0.333 92 Y C -1.223 174.669 175.900 -0.013 0.000 1.208 92 Y CA -1.618 56.487 58.100 0.009 0.000 1.055 92 Y CB 1.454 39.746 38.460 -0.280 0.000 1.304 92 Y HN 0.723 nan 8.280 nan 0.000 0.455 93 K N 1.855 122.201 120.400 -0.090 0.000 2.469 93 K HA 0.616 4.936 4.320 0.001 0.000 0.254 93 K C -1.323 175.345 176.600 0.112 0.000 0.939 93 K CA -1.108 55.074 56.287 -0.175 0.000 0.812 93 K CB 3.160 35.463 32.500 -0.328 0.000 1.301 93 K HN 0.812 nan 8.250 nan 0.000 0.433 94 R N 0.362 120.915 120.500 0.088 0.000 2.787 94 R HA 0.340 4.681 4.340 0.001 0.000 0.271 94 R C -0.188 176.012 176.300 -0.166 0.000 0.993 94 R CA -0.930 55.199 56.100 0.049 0.000 0.993 94 R CB 1.355 31.679 30.300 0.041 0.000 1.155 94 R HN 0.683 nan 8.270 nan 0.000 0.486 95 T N -0.868 113.341 114.554 -0.575 0.000 2.940 95 T HA 0.065 4.415 4.350 0.001 0.000 0.309 95 T C 0.907 175.396 174.700 -0.352 0.000 1.056 95 T CA -0.440 61.206 62.100 -0.756 0.000 1.137 95 T CB 0.881 69.267 68.868 -0.804 0.000 0.976 95 T HN 0.505 nan 8.240 nan 0.000 0.547 96 K N 0.946 121.173 120.400 -0.289 0.000 2.148 96 K HA -0.003 4.318 4.320 0.001 0.000 0.204 96 K C 1.393 177.907 176.600 -0.143 0.000 1.050 96 K CA 1.261 57.449 56.287 -0.166 0.000 0.942 96 K CB -0.110 32.311 32.500 -0.131 0.000 0.724 96 K HN 0.908 nan 8.250 nan 0.000 0.446 97 T N -3.222 111.230 114.554 -0.170 0.000 2.926 97 T HA 0.151 4.502 4.350 0.001 0.000 0.289 97 T C 1.090 175.703 174.700 -0.145 0.000 1.054 97 T CA -0.567 61.455 62.100 -0.131 0.000 1.015 97 T CB 1.724 70.528 68.868 -0.107 0.000 1.167 97 T HN 0.085 nan 8.240 nan 0.000 0.526 98 T N -2.170 112.319 114.554 -0.108 0.000 3.088 98 T HA 0.258 4.608 4.350 0.001 0.000 0.259 98 T C 1.631 176.273 174.700 -0.097 0.000 1.122 98 T CA 0.473 62.514 62.100 -0.099 0.000 1.095 98 T CB -0.346 68.479 68.868 -0.072 0.000 0.930 98 T HN 0.874 nan 8.240 nan 0.000 0.508 99 A N 1.929 124.692 122.820 -0.094 0.000 2.431 99 A HA 0.294 4.615 4.320 0.001 0.000 0.239 99 A C 1.822 179.356 177.584 -0.083 0.000 1.230 99 A CA 0.222 52.211 52.037 -0.079 0.000 0.928 99 A CB -0.269 18.696 19.000 -0.057 0.000 1.006 99 A HN 0.603 nan 8.150 nan 0.000 0.520 100 N N -0.027 118.604 118.700 -0.116 0.000 2.422 100 N HA -0.083 4.657 4.740 0.001 0.000 0.181 100 N C 0.146 175.603 175.510 -0.088 0.000 1.080 100 N CA 0.692 53.680 53.050 -0.104 0.000 0.893 100 N CB -0.517 37.892 38.487 -0.131 0.000 0.973 100 N HN 0.243 nan 8.380 nan 0.000 0.456 101 N N -0.122 118.512 118.700 -0.110 0.000 2.708 101 N HA -0.171 4.570 4.740 0.001 0.000 0.251 101 N C 0.634 176.186 175.510 0.070 0.000 1.123 101 N CA 1.177 54.210 53.050 -0.029 0.000 0.739 101 N CB -1.744 36.748 38.487 0.009 0.000 1.113 101 N HN 0.738 nan 8.380 nan 0.000 0.561 102 G N -0.649 108.049 108.800 -0.170 0.000 2.283 102 G HA2 -0.234 3.726 3.960 0.001 0.000 0.280 102 G HA3 -0.234 3.726 3.960 0.001 0.000 0.280 102 G C 1.185 176.449 174.900 0.606 0.000 1.029 102 G CA 1.109 46.125 45.100 -0.140 0.000 0.840 102 G HN 0.975 nan 8.290 nan 0.000 0.505 103 A N -0.860 122.178 122.820 0.364 0.000 1.972 103 A HA 0.424 4.744 4.320 0.001 0.000 0.219 103 A C 1.786 179.689 177.584 0.531 0.000 1.169 103 A CA 2.196 54.489 52.037 0.428 0.000 0.635 103 A CB -0.126 19.013 19.000 0.232 0.000 0.810 103 A HN 2.092 nan 8.150 nan 0.000 0.446 104 S N -3.701 112.234 115.700 0.392 0.000 2.618 104 S HA 0.579 5.050 4.470 0.001 0.000 0.277 104 S C -2.582 171.937 174.600 -0.135 0.000 1.138 104 S CA -1.141 57.091 58.200 0.054 0.000 0.844 104 S CB 1.549 64.738 63.200 -0.017 0.000 1.127 104 S HN -0.087 nan 8.310 nan 0.000 0.474 105 P HA -0.112 nan 4.420 nan 0.000 0.216 105 P C 1.584 178.847 177.300 -0.062 0.000 1.150 105 P CA 1.850 64.678 63.100 -0.453 0.000 0.837 105 P CB -0.169 31.193 31.700 -0.564 0.000 0.786 106 S N -1.664 113.983 115.700 -0.089 0.000 2.547 106 S HA -0.100 4.370 4.470 0.001 0.000 0.235 106 S C 1.422 176.006 174.600 -0.026 0.000 0.980 106 S CA 0.879 59.053 58.200 -0.044 0.000 0.941 106 S CB -1.020 62.145 63.200 -0.058 0.000 0.763 106 S HN 0.074 nan 8.310 nan 0.000 0.532 107 D N 0.311 120.705 120.400 -0.011 0.000 2.363 107 D HA 0.095 4.735 4.640 0.001 0.000 0.220 107 D C -0.563 175.572 176.300 -0.275 0.000 0.994 107 D CA 0.405 54.325 54.000 -0.133 0.000 0.890 107 D CB 0.022 40.724 40.800 -0.165 0.000 0.906 107 D HN 0.567 nan 8.370 nan 0.000 0.530 108 W N 1.774 123.007 121.300 -0.111 0.000 2.478 108 W HA 0.288 4.949 4.660 0.001 0.000 0.318 108 W C 0.703 177.122 176.519 -0.166 0.000 1.062 108 W CA -0.868 56.380 57.345 -0.161 0.000 1.210 108 W CB 1.047 30.390 29.460 -0.195 0.000 1.325 108 W HN -0.303 nan 8.180 nan 0.000 0.496 109 E N 3.164 123.396 120.200 0.053 0.000 2.409 109 E HA 0.085 4.436 4.350 0.001 0.000 0.257 109 E C -1.918 174.650 176.600 -0.054 0.000 1.150 109 E CA -1.419 54.966 56.400 -0.026 0.000 0.942 109 E CB -0.032 29.630 29.700 -0.062 0.000 0.979 109 E HN -0.009 nan 8.360 nan 0.000 0.447 110 P HA -0.015 nan 4.420 nan 0.000 0.272 110 P C -0.595 176.604 177.300 -0.168 0.000 1.240 110 P CA -0.403 62.631 63.100 -0.110 0.000 0.791 110 P CB 0.379 32.035 31.700 -0.073 0.000 0.978 111 L N 2.098 123.221 121.223 -0.167 0.000 2.540 111 L HA 0.036 4.376 4.340 0.001 0.000 0.276 111 L C 0.603 177.379 176.870 -0.158 0.000 1.212 111 L CA 1.198 55.934 54.840 -0.174 0.000 0.893 111 L CB -0.328 41.704 42.059 -0.045 0.000 1.138 111 L HN 0.322 nan 8.230 nan 0.000 0.491 112 R N 3.056 123.370 120.500 -0.309 0.000 2.960 112 R HA 0.552 4.893 4.340 0.001 0.000 0.249 112 R C -1.139 175.111 176.300 -0.084 0.000 1.192 112 R CA -0.971 54.949 56.100 -0.301 0.000 1.035 112 R CB 1.509 31.408 30.300 -0.668 0.000 1.234 112 R HN 0.627 nan 8.270 nan 0.000 0.493 113 E N 0.392 120.674 120.200 0.137 0.000 2.224 113 E HA 0.191 4.542 4.350 0.001 0.000 0.265 113 E C -0.154 176.616 176.600 0.284 0.000 0.878 113 E CA -0.413 56.124 56.400 0.227 0.000 0.759 113 E CB 1.931 31.722 29.700 0.152 0.000 1.164 113 E HN 0.312 nan 8.360 nan 0.000 0.414 114 V N 3.840 123.823 119.914 0.114 0.000 2.302 114 V HA 0.042 4.163 4.120 0.001 0.000 0.243 114 V C 0.486 176.454 176.094 -0.209 0.000 1.036 114 V CA 0.802 62.970 62.300 -0.221 0.000 1.020 114 V CB 0.649 32.112 31.823 -0.600 0.000 0.657 114 V HN 0.512 nan 8.190 nan 0.000 0.453 115 V N -1.129 118.613 119.914 -0.286 0.000 2.924 115 V HA 0.757 4.878 4.120 0.001 0.000 0.300 115 V C 0.140 175.958 176.094 -0.460 0.000 1.227 115 V CA 0.387 62.377 62.300 -0.516 0.000 0.954 115 V CB 1.765 32.971 31.823 -1.028 0.000 1.055 115 V HN 0.258 nan 8.190 nan 0.000 0.429 116 G N 2.917 111.519 108.800 -0.329 0.000 4.213 116 G HA2 0.228 4.189 3.960 0.001 0.000 0.274 116 G HA3 0.228 4.189 3.960 0.001 0.000 0.274 116 G C 0.296 175.241 174.900 0.076 0.000 1.033 116 G CA 0.512 45.573 45.100 -0.065 0.000 0.822 116 G HN 1.268 nan 8.290 nan 0.000 0.432 117 S N 0.612 116.315 115.700 0.005 0.000 2.552 117 S HA 0.532 5.002 4.470 0.001 0.000 0.289 117 S C 0.938 175.775 174.600 0.395 0.000 1.304 117 S CA 0.482 58.789 58.200 0.179 0.000 1.063 117 S CB 1.107 64.372 63.200 0.109 0.000 0.848 117 S HN 1.901 nan 8.310 nan 0.000 0.499 118 G N 1.746 110.704 108.800 0.264 0.000 2.760 118 G HA2 0.251 4.211 3.960 0.001 0.000 0.246 118 G HA3 0.251 4.211 3.960 0.001 0.000 0.246 118 G C 0.297 175.338 174.900 0.234 0.000 1.359 118 G CA -0.246 45.009 45.100 0.259 0.000 0.861 118 G HN 1.937 nan 8.290 nan 0.000 0.541 119 A N -0.100 122.830 122.820 0.184 0.000 2.430 119 A HA 0.730 5.051 4.320 0.001 0.000 0.243 119 A C 1.481 179.121 177.584 0.092 0.000 1.254 119 A CA 1.433 53.555 52.037 0.141 0.000 0.914 119 A CB -0.259 18.810 19.000 0.115 0.000 0.998 119 A HN 2.223 nan 8.150 nan 0.000 0.515 120 G N -0.837 108.002 108.800 0.065 0.000 2.510 120 G HA2 0.442 4.402 3.960 0.001 0.000 0.280 120 G HA3 0.442 4.402 3.960 0.001 0.000 0.280 120 G C -0.326 174.449 174.900 -0.208 0.000 1.386 120 G CA -0.110 44.890 45.100 -0.167 0.000 1.047 120 G HN 0.110 nan 8.290 nan 0.000 0.527 121 T N 0.470 114.723 114.554 -0.501 0.000 2.749 121 T HA 0.319 4.669 4.350 0.001 0.000 0.287 121 T C -1.313 173.142 174.700 -0.408 0.000 0.970 121 T CA 0.150 62.055 62.100 -0.325 0.000 0.980 121 T CB 0.598 69.308 68.868 -0.263 0.000 0.924 121 T HN 0.368 nan 8.240 nan 0.000 0.456 122 W N 2.477 123.759 121.300 -0.029 0.000 2.318 122 W HA 0.628 5.289 4.660 0.001 0.000 0.315 122 W C 0.592 177.101 176.519 -0.016 0.000 1.033 122 W CA -0.350 57.014 57.345 0.032 0.000 1.275 122 W CB 1.593 31.077 29.460 0.040 0.000 1.250 122 W HN 0.965 nan 8.180 nan 0.000 0.421 123 G N 1.283 110.195 108.800 0.187 0.000 2.772 123 G HA2 0.265 4.226 3.960 0.001 0.000 0.284 123 G HA3 0.265 4.226 3.960 0.001 0.000 0.284 123 G C -0.491 174.454 174.900 0.074 0.000 1.217 123 G CA -0.995 44.162 45.100 0.095 0.000 0.831 123 G HN 0.272 nan 8.290 nan 0.000 0.523 124 N N 0.753 119.484 118.700 0.052 0.000 2.714 124 N HA -0.115 4.625 4.740 0.001 0.000 0.253 124 N C -2.601 172.934 175.510 0.043 0.000 1.024 124 N CA 0.874 53.961 53.050 0.061 0.000 0.726 124 N CB -0.680 37.838 38.487 0.051 0.000 0.908 124 N HN 0.409 nan 8.380 nan 0.000 0.542 125 P HA 0.038 nan 4.420 nan 0.000 0.267 125 P C -0.631 176.640 177.300 -0.048 0.000 1.209 125 P CA 0.536 63.591 63.100 -0.076 0.000 0.763 125 P CB 0.858 32.495 31.700 -0.104 0.000 0.816 126 T N 5.495 120.019 114.554 -0.050 0.000 3.133 126 T HA 0.332 4.683 4.350 0.001 0.000 0.368 126 T C -2.485 172.241 174.700 0.044 0.000 1.190 126 T CA -1.375 60.739 62.100 0.024 0.000 1.282 126 T CB 1.094 69.999 68.868 0.062 0.000 1.042 126 T HN 0.351 nan 8.240 nan 0.000 0.536 127 P HA 0.667 nan 4.420 nan 0.000 0.281 127 P C -0.911 176.494 177.300 0.176 0.000 1.264 127 P CA -0.769 62.344 63.100 0.020 0.000 0.824 127 P CB 2.025 33.665 31.700 -0.100 0.000 1.092 128 V N 1.295 121.365 119.914 0.260 0.000 2.969 128 V HA 0.285 4.406 4.120 0.001 0.000 0.304 128 V C -1.245 175.030 176.094 0.302 0.000 1.192 128 V CA -0.820 61.649 62.300 0.281 0.000 0.962 128 V CB 2.498 34.504 31.823 0.306 0.000 1.045 128 V HN 0.197 nan 8.190 nan 0.000 0.428 129 V N 5.498 125.553 119.914 0.235 0.000 2.370 129 V HA 0.487 4.607 4.120 0.001 0.000 0.279 129 V C -0.005 176.195 176.094 0.176 0.000 1.029 129 V CA -0.314 62.094 62.300 0.180 0.000 0.870 129 V CB 1.461 33.367 31.823 0.138 0.000 0.984 129 V HN 0.930 nan 8.190 nan 0.000 0.451 130 D N 2.461 122.954 120.400 0.155 0.000 2.432 130 D HA 0.190 4.830 4.640 0.001 0.000 0.258 130 D C 0.775 177.122 176.300 0.079 0.000 1.146 130 D CA -0.510 53.584 54.000 0.156 0.000 1.015 130 D CB 1.567 42.488 40.800 0.201 0.000 1.107 130 D HN 0.524 nan 8.370 nan 0.000 0.529 131 D N -0.418 120.024 120.400 0.071 0.000 2.182 131 D HA -0.160 4.481 4.640 0.001 0.000 0.201 131 D C 1.052 177.362 176.300 0.017 0.000 0.986 131 D CA 0.979 55.003 54.000 0.041 0.000 0.847 131 D CB -0.069 40.752 40.800 0.037 0.000 0.942 131 D HN 0.504 nan 8.370 nan 0.000 0.467 132 D N -0.764 119.639 120.400 0.005 0.000 2.340 132 D HA -0.055 4.585 4.640 0.001 0.000 0.220 132 D C 0.383 176.661 176.300 -0.036 0.000 1.039 132 D CA -0.008 53.981 54.000 -0.018 0.000 0.866 132 D CB -0.347 40.437 40.800 -0.027 0.000 0.913 132 D HN -0.035 nan 8.370 nan 0.000 0.523 133 N N -0.695 117.989 118.700 -0.027 0.000 2.828 133 N HA -0.164 4.576 4.740 0.001 0.000 0.248 133 N C -0.997 174.458 175.510 -0.090 0.000 1.044 133 N CA 1.074 54.099 53.050 -0.041 0.000 0.851 133 N CB -2.001 36.461 38.487 -0.042 0.000 1.136 133 N HN 0.185 nan 8.380 nan 0.000 0.572 134 T N 1.192 115.670 114.554 -0.128 0.000 2.867 134 T HA 0.250 4.600 4.350 0.001 0.000 0.297 134 T C 0.646 175.212 174.700 -0.223 0.000 0.989 134 T CA 0.202 62.155 62.100 -0.245 0.000 1.159 134 T CB 0.220 68.862 68.868 -0.376 0.000 0.928 134 T HN 0.171 nan 8.240 nan 0.000 0.538 135 I N 4.551 124.996 120.570 -0.207 0.000 2.307 135 I HA 0.256 4.427 4.170 0.001 0.000 0.289 135 I C -0.279 175.850 176.117 0.021 0.000 1.021 135 I CA -0.606 60.682 61.300 -0.019 0.000 1.224 135 I CB 0.250 38.327 38.000 0.128 0.000 1.376 135 I HN 0.506 nan 8.210 nan 0.000 0.470 136 Y N 6.332 126.742 120.300 0.184 0.000 2.319 136 Y HA 0.448 4.998 4.550 0.001 0.000 0.328 136 Y C -0.056 175.881 175.900 0.061 0.000 1.133 136 Y CA -0.468 57.706 58.100 0.122 0.000 1.265 136 Y CB 1.008 39.561 38.460 0.155 0.000 1.218 136 Y HN 0.410 nan 8.280 nan 0.000 0.508 137 L N 5.129 126.409 121.223 0.094 0.000 2.377 137 L HA 0.524 4.864 4.340 0.001 0.000 0.270 137 L C -1.612 175.120 176.870 -0.231 0.000 0.991 137 L CA -0.544 54.209 54.840 -0.146 0.000 0.851 137 L CB -0.025 41.770 42.059 -0.441 0.000 1.218 137 L HN 0.356 nan 8.230 nan 0.000 0.420 138 F N 5.337 125.230 119.950 -0.096 0.000 2.412 138 F HA 0.565 5.093 4.527 0.001 0.000 0.348 138 F C 0.051 175.814 175.800 -0.061 0.000 1.102 138 F CA 0.152 58.093 58.000 -0.098 0.000 1.196 138 F CB 0.893 39.800 39.000 -0.155 0.000 1.144 138 F HN 0.285 nan 8.300 nan 0.000 0.541 139 L N 1.845 123.176 121.223 0.180 0.000 2.393 139 L HA 0.502 4.843 4.340 0.001 0.000 0.260 139 L C -0.575 176.429 176.870 0.224 0.000 1.002 139 L CA -0.773 54.176 54.840 0.183 0.000 0.818 139 L CB 2.365 44.568 42.059 0.241 0.000 1.369 139 L HN 0.409 nan 8.230 nan 0.000 0.412 140 S N 0.084 115.878 115.700 0.156 0.000 2.565 140 S HA 0.576 5.047 4.470 0.001 0.000 0.290 140 S C -1.533 173.139 174.600 0.119 0.000 1.150 140 S CA -0.454 57.806 58.200 0.101 0.000 1.058 140 S CB 1.511 64.677 63.200 -0.056 0.000 1.032 140 S HN 0.537 nan 8.310 nan 0.000 0.510 141 W N 4.004 125.214 121.300 -0.151 0.000 2.915 141 W HA 0.577 5.238 4.660 0.001 0.000 0.337 141 W C -1.196 175.121 176.519 -0.337 0.000 1.102 141 W CA -0.475 56.615 57.345 -0.425 0.000 1.224 141 W CB 1.075 30.083 29.460 -0.753 0.000 1.416 141 W HN 0.782 nan 8.180 nan 0.000 0.503 142 N N 3.366 121.277 118.700 -1.315 0.000 2.357 142 N HA 0.603 5.343 4.740 0.001 0.000 0.284 142 N C -0.279 173.933 175.510 -2.163 0.000 1.236 142 N CA -0.838 51.330 53.050 -1.470 0.000 0.774 142 N CB 1.544 39.691 38.487 -0.567 0.000 1.534 142 N HN 0.626 nan 8.380 nan 0.000 0.478 143 G N -0.831 107.023 108.800 -1.576 0.000 2.667 143 G HA2 0.353 4.313 3.960 0.001 0.000 0.250 143 G HA3 0.353 4.313 3.960 0.001 0.000 0.250 143 G C 1.023 175.760 174.900 -0.271 0.000 1.212 143 G CA 0.043 44.711 45.100 -0.720 0.000 0.874 143 G HN 0.758 nan 8.290 nan 0.000 0.561 144 A N -0.343 122.439 122.820 -0.065 0.000 2.019 144 A HA 0.016 4.336 4.320 0.001 0.000 0.219 144 A C 2.207 179.783 177.584 -0.014 0.000 1.164 144 A CA 2.288 54.316 52.037 -0.014 0.000 0.644 144 A CB -0.438 18.587 19.000 0.042 0.000 0.805 144 A HN 1.073 nan 8.150 nan 0.000 0.449 145 T N -4.572 109.963 114.554 -0.031 0.000 3.129 145 T HA 0.461 4.811 4.350 0.001 0.000 0.267 145 T C -0.230 174.239 174.700 -0.385 0.000 1.018 145 T CA -0.406 61.578 62.100 -0.193 0.000 0.903 145 T CB -0.433 68.286 68.868 -0.247 0.000 1.067 145 T HN 0.228 nan 8.240 nan 0.000 0.549 146 Y N 1.994 122.218 120.300 -0.126 0.000 2.429 146 Y HA 0.649 5.200 4.550 0.001 0.000 0.342 146 Y C 0.438 176.252 175.900 -0.143 0.000 1.004 146 Y CA -0.907 57.115 58.100 -0.130 0.000 1.075 146 Y CB 2.246 40.638 38.460 -0.114 0.000 1.214 146 Y HN 0.294 nan 8.280 nan 0.000 0.455 147 S N 0.591 116.268 115.700 -0.038 0.000 2.627 147 S HA 0.262 4.732 4.470 0.001 0.000 0.283 147 S C 0.416 174.998 174.600 -0.030 0.000 1.127 147 S CA -0.985 57.153 58.200 -0.103 0.000 0.863 147 S CB 2.031 64.847 63.200 -0.640 0.000 1.121 147 S HN 0.814 nan 8.310 nan 0.000 0.479 148 Q N 0.827 120.610 119.800 -0.029 0.000 2.077 148 Q HA -0.219 4.121 4.340 0.001 0.000 0.206 148 Q C 1.093 176.965 176.000 -0.213 0.000 0.989 148 Q CA 2.263 57.928 55.803 -0.232 0.000 0.853 148 Q CB -0.233 28.068 28.738 -0.727 0.000 0.907 148 Q HN 0.746 nan 8.270 nan 0.000 0.418 149 N N -0.799 117.775 118.700 -0.211 0.000 2.368 149 N HA 0.099 4.840 4.740 0.001 0.000 0.176 149 N C 0.407 175.822 175.510 -0.158 0.000 1.021 149 N CA 1.096 54.038 53.050 -0.180 0.000 0.888 149 N CB 0.497 38.884 38.487 -0.166 0.000 0.995 149 N HN 0.388 nan 8.380 nan 0.000 0.437 150 G N 1.480 110.161 108.800 -0.198 0.000 2.758 150 G HA2 -0.229 3.731 3.960 0.001 0.000 0.686 150 G HA3 -0.229 3.731 3.960 0.001 0.000 0.686 150 G C -0.295 174.480 174.900 -0.209 0.000 1.389 150 G CA -0.135 44.851 45.100 -0.189 0.000 0.845 150 G HN 0.097 nan 8.290 nan 0.000 0.572 151 K N -1.090 119.191 120.400 -0.198 0.000 3.130 151 K HA -0.158 4.163 4.320 0.001 0.000 0.282 151 K C 0.156 176.641 176.600 -0.192 0.000 1.145 151 K CA 1.805 57.991 56.287 -0.169 0.000 0.831 151 K CB -1.604 30.824 32.500 -0.120 0.000 1.226 151 K HN 0.813 nan 8.250 nan 0.000 0.478 152 D N 0.578 120.795 120.400 -0.305 0.000 2.255 152 D HA 0.237 4.878 4.640 0.001 0.000 0.249 152 D C 0.258 176.445 176.300 -0.189 0.000 1.078 152 D CA -0.372 53.444 54.000 -0.307 0.000 0.896 152 D CB 1.453 41.794 40.800 -0.765 0.000 1.194 152 D HN -0.228 nan 8.370 nan 0.000 0.429 153 V N 3.270 123.151 119.914 -0.056 0.000 2.406 153 V HA 0.174 4.295 4.120 0.001 0.000 0.272 153 V C 0.782 176.910 176.094 0.056 0.000 1.043 153 V CA -0.564 61.723 62.300 -0.021 0.000 0.915 153 V CB 0.735 32.545 31.823 -0.022 0.000 0.988 153 V HN 0.312 nan 8.190 nan 0.000 0.466 154 L N 6.635 127.879 121.223 0.035 0.000 2.466 154 L HA 0.262 4.603 4.340 0.001 0.000 0.257 154 L C -1.057 175.812 176.870 -0.001 0.000 1.189 154 L CA -1.338 53.542 54.840 0.067 0.000 0.813 154 L CB 0.494 42.574 42.059 0.036 0.000 1.118 154 L HN 0.399 nan 8.230 nan 0.000 0.471 155 P HA -0.185 nan 4.420 nan 0.000 0.217 155 P C 0.481 177.724 177.300 -0.094 0.000 1.148 155 P CA 1.191 64.232 63.100 -0.098 0.000 0.828 155 P CB 0.007 31.581 31.700 -0.210 0.000 0.783 156 D N -2.282 118.067 120.400 -0.085 0.000 2.328 156 D HA 0.091 4.731 4.640 0.001 0.000 0.226 156 D C 1.417 177.686 176.300 -0.052 0.000 1.066 156 D CA 0.569 54.527 54.000 -0.070 0.000 0.861 156 D CB -0.710 40.050 40.800 -0.067 0.000 0.912 156 D HN 0.231 nan 8.370 nan 0.000 0.521 157 G N -0.439 108.333 108.800 -0.047 0.000 2.234 157 G HA2 -0.273 3.688 3.960 0.001 0.000 0.235 157 G HA3 -0.273 3.688 3.960 0.001 0.000 0.235 157 G C 0.533 175.405 174.900 -0.046 0.000 0.997 157 G CA 0.195 45.270 45.100 -0.042 0.000 0.623 157 G HN 0.460 nan 8.290 nan 0.000 0.514 158 T N 1.320 115.845 114.554 -0.048 0.000 2.933 158 T HA 0.378 4.729 4.350 0.001 0.000 0.306 158 T C 0.554 175.209 174.700 -0.075 0.000 1.045 158 T CA 0.555 62.619 62.100 -0.060 0.000 1.143 158 T CB 1.869 70.702 68.868 -0.058 0.000 1.003 158 T HN 0.567 nan 8.240 nan 0.000 0.540 159 V N 4.588 124.445 119.914 -0.094 0.000 2.427 159 V HA 0.359 4.480 4.120 0.001 0.000 0.286 159 V C 0.992 176.985 176.094 -0.168 0.000 1.034 159 V CA -0.987 61.241 62.300 -0.120 0.000 0.893 159 V CB 1.497 33.259 31.823 -0.103 0.000 0.982 159 V HN 1.125 nan 8.190 nan 0.000 0.452 160 T N 2.745 117.167 114.554 -0.221 0.000 2.898 160 T HA 0.356 4.707 4.350 0.001 0.000 0.301 160 T C -0.147 174.390 174.700 -0.271 0.000 1.049 160 T CA -0.567 61.364 62.100 -0.282 0.000 1.095 160 T CB 0.535 69.180 68.868 -0.371 0.000 0.976 160 T HN 0.572 nan 8.240 nan 0.000 0.539 161 K N 1.271 121.456 120.400 -0.357 0.000 2.144 161 K HA 0.274 4.595 4.320 0.001 0.000 0.270 161 K C 0.241 176.767 176.600 -0.122 0.000 1.005 161 K CA -0.764 55.351 56.287 -0.287 0.000 0.932 161 K CB 0.915 33.119 32.500 -0.494 0.000 1.021 161 K HN 0.625 nan 8.250 nan 0.000 0.462 162 K N 2.829 123.215 120.400 -0.023 0.000 2.412 162 K HA 0.070 4.390 4.320 0.001 0.000 0.281 162 K C -0.246 176.473 176.600 0.199 0.000 1.027 162 K CA -0.200 56.109 56.287 0.037 0.000 0.989 162 K CB 0.320 32.819 32.500 -0.001 0.000 0.935 162 K HN 0.451 nan 8.250 nan 0.000 0.475 163 I N 4.996 125.684 120.570 0.196 0.000 2.821 163 I HA -0.194 3.976 4.170 0.001 0.000 0.294 163 I C 0.361 176.553 176.117 0.126 0.000 1.210 163 I CA 0.747 62.161 61.300 0.190 0.000 1.430 163 I CB 0.116 38.263 38.000 0.245 0.000 1.356 163 I HN 0.828 nan 8.210 nan 0.000 0.563 164 D N 2.690 123.129 120.400 0.066 0.000 2.837 164 D HA 0.226 4.867 4.640 0.001 0.000 0.294 164 D C 0.311 176.640 176.300 0.049 0.000 1.158 164 D CA -0.403 53.639 54.000 0.068 0.000 1.073 164 D CB 0.641 41.499 40.800 0.098 0.000 1.419 164 D HN 0.298 nan 8.370 nan 0.000 0.584 165 S N -1.873 113.867 115.700 0.067 0.000 2.575 165 S HA 0.150 4.620 4.470 0.001 0.000 0.215 165 S C 0.748 175.407 174.600 0.099 0.000 0.966 165 S CA 0.182 58.434 58.200 0.086 0.000 0.911 165 S CB -1.257 61.997 63.200 0.090 0.000 0.780 165 S HN 0.747 nan 8.310 nan 0.000 0.514 166 T N -2.476 112.132 114.554 0.090 0.000 2.828 166 T HA 0.145 4.495 4.350 0.001 0.000 0.290 166 T C 0.739 175.556 174.700 0.195 0.000 1.019 166 T CA -0.760 61.422 62.100 0.137 0.000 1.031 166 T CB 0.403 69.348 68.868 0.128 0.000 1.001 166 T HN 0.500 nan 8.240 nan 0.000 0.531 167 W N 1.205 122.531 121.300 0.044 0.000 2.355 167 W HA -0.161 4.500 4.660 0.001 0.000 0.309 167 W C 1.619 178.262 176.519 0.207 0.000 1.206 167 W CA 1.590 58.996 57.345 0.100 0.000 1.284 167 W CB -0.049 29.462 29.460 0.085 0.000 1.145 167 W HN 0.845 nan 8.180 nan 0.000 0.502 168 E N -0.520 119.780 120.200 0.167 0.000 2.150 168 E HA -0.081 4.269 4.350 0.001 0.000 0.193 168 E C 2.202 178.612 176.600 -0.316 0.000 0.985 168 E CA 1.575 57.992 56.400 0.028 0.000 0.814 168 E CB -0.860 28.936 29.700 0.161 0.000 0.752 168 E HN 0.296 nan 8.360 nan 0.000 0.466 169 G N 0.540 109.054 108.800 -0.477 0.000 3.020 169 G HA2 -0.020 3.940 3.960 0.001 0.000 0.217 169 G HA3 -0.020 3.940 3.960 0.001 0.000 0.217 169 G C 0.360 174.945 174.900 -0.526 0.000 1.144 169 G CA -0.407 43.998 45.100 -1.158 0.000 0.760 169 G HN 0.133 nan 8.290 nan 0.000 0.548 170 R N 0.121 120.508 120.500 -0.189 0.000 2.549 170 R HA 0.527 4.868 4.340 0.001 0.000 0.267 170 R C -0.532 175.768 176.300 0.000 0.000 1.045 170 R CA -0.816 55.250 56.100 -0.056 0.000 1.115 170 R CB 0.981 31.273 30.300 -0.013 0.000 1.121 170 R HN -0.197 nan 8.270 nan 0.000 0.543 171 R N 1.907 122.381 120.500 -0.044 0.000 2.347 171 R HA 0.153 4.493 4.340 0.001 0.000 0.304 171 R C -0.151 176.147 176.300 -0.004 0.000 1.072 171 R CA -0.131 55.918 56.100 -0.085 0.000 0.980 171 R CB 0.468 30.542 30.300 -0.376 0.000 0.986 171 R HN 0.664 nan 8.270 nan 0.000 0.448 172 H N 1.733 120.781 119.070 -0.037 0.000 2.496 172 H HA 0.266 4.822 4.556 0.001 0.000 0.342 172 H C -0.431 174.888 175.328 -0.015 0.000 1.170 172 H CA -0.857 55.155 56.048 -0.060 0.000 1.274 172 H CB 2.151 31.882 29.762 -0.053 0.000 1.538 172 H HN 0.157 nan 8.280 nan 0.000 0.542 173 L N 2.958 124.177 121.223 -0.006 0.000 2.298 173 L HA 0.269 4.609 4.340 0.001 0.000 0.284 173 L C -1.549 175.300 176.870 -0.034 0.000 1.013 173 L CA -0.324 54.533 54.840 0.028 0.000 0.824 173 L CB 0.251 42.290 42.059 -0.033 0.000 1.221 173 L HN 0.434 nan 8.230 nan 0.000 0.418 174 Y N 4.418 124.782 120.300 0.107 0.000 2.496 174 Y HA 0.693 5.244 4.550 0.001 0.000 0.331 174 Y C -0.645 175.244 175.900 -0.018 0.000 1.140 174 Y CA -0.474 57.687 58.100 0.101 0.000 1.166 174 Y CB 2.077 40.694 38.460 0.263 0.000 1.249 174 Y HN 0.541 nan 8.280 nan 0.000 0.479 175 L N 1.932 123.198 121.223 0.073 0.000 2.409 175 L HA 0.622 4.963 4.340 0.001 0.000 0.272 175 L C -0.661 176.197 176.870 -0.021 0.000 0.980 175 L CA -0.089 54.630 54.840 -0.201 0.000 0.826 175 L CB 1.983 43.741 42.059 -0.502 0.000 1.268 175 L HN 0.646 nan 8.230 nan 0.000 0.407 176 T N 3.375 117.916 114.554 -0.022 0.000 2.930 176 T HA 0.840 5.190 4.350 0.001 0.000 0.290 176 T C -1.379 173.457 174.700 0.226 0.000 1.052 176 T CA -0.379 61.786 62.100 0.109 0.000 1.017 176 T CB 1.217 70.146 68.868 0.103 0.000 1.137 176 T HN 0.802 nan 8.240 nan 0.000 0.511 177 E N 1.047 121.411 120.200 0.272 0.000 2.408 177 E HA 0.534 4.885 4.350 0.001 0.000 0.275 177 E C -1.557 174.956 176.600 -0.145 0.000 0.935 177 E CA -0.838 55.648 56.400 0.143 0.000 0.775 177 E CB 1.614 31.269 29.700 -0.074 0.000 1.277 177 E HN 0.434 nan 8.360 nan 0.000 0.455 178 S N 0.188 115.541 115.700 -0.578 0.000 2.482 178 S HA 0.497 4.968 4.470 0.001 0.000 0.303 178 S C 0.027 174.343 174.600 -0.473 0.000 1.091 178 S CA -0.662 57.035 58.200 -0.839 0.000 1.057 178 S CB 0.790 63.023 63.200 -1.611 0.000 1.031 178 S HN 0.453 nan 8.310 nan 0.000 0.485 179 R N 2.195 122.486 120.500 -0.347 0.000 2.397 179 R HA 0.205 4.546 4.340 0.001 0.000 0.241 179 R C -0.522 175.658 176.300 -0.199 0.000 0.914 179 R CA 0.183 56.144 56.100 -0.232 0.000 1.071 179 R CB -0.210 29.991 30.300 -0.164 0.000 1.116 179 R HN 0.744 nan 8.270 nan 0.000 0.524 180 D N -0.744 119.512 120.400 -0.240 0.000 2.895 180 D HA 0.104 4.744 4.640 0.001 0.000 0.350 180 D C -0.378 175.820 176.300 -0.170 0.000 1.389 180 D CA -0.606 53.291 54.000 -0.172 0.000 0.812 180 D CB 0.144 40.859 40.800 -0.143 0.000 1.164 180 D HN -0.193 nan 8.370 nan 0.000 0.455 181 D N 0.104 120.395 120.400 -0.181 0.000 2.835 181 D HA -0.126 4.515 4.640 0.001 0.000 0.230 181 D C 1.317 177.551 176.300 -0.111 0.000 1.130 181 D CA 1.756 55.683 54.000 -0.121 0.000 0.738 181 D CB -1.310 39.444 40.800 -0.078 0.000 1.090 181 D HN 0.762 nan 8.370 nan 0.000 0.433 182 G N -0.510 108.132 108.800 -0.263 0.000 2.179 182 G HA2 -0.448 3.512 3.960 0.001 0.000 0.260 182 G HA3 -0.448 3.512 3.960 0.001 0.000 0.260 182 G C 0.985 175.861 174.900 -0.041 0.000 0.977 182 G CA 0.887 45.858 45.100 -0.214 0.000 0.641 182 G HN 0.576 nan 8.290 nan 0.000 0.533 183 N N 0.752 119.394 118.700 -0.097 0.000 2.142 183 N HA 0.045 4.785 4.740 0.001 0.000 0.186 183 N C 1.346 176.879 175.510 0.039 0.000 1.023 183 N CA 2.355 55.419 53.050 0.022 0.000 0.852 183 N CB -0.002 38.468 38.487 -0.029 0.000 0.998 183 N HN 0.917 nan 8.380 nan 0.000 0.424 184 T N -3.900 110.548 114.554 -0.177 0.000 2.906 184 T HA 0.590 4.940 4.350 0.001 0.000 0.295 184 T C -1.260 173.173 174.700 -0.444 0.000 1.075 184 T CA -0.862 61.170 62.100 -0.113 0.000 1.005 184 T CB 1.208 70.045 68.868 -0.053 0.000 1.136 184 T HN 0.130 nan 8.240 nan 0.000 0.498 185 W N 1.136 122.429 121.300 -0.013 0.000 2.819 185 W HA 0.595 5.255 4.660 0.001 0.000 0.337 185 W C 0.406 176.899 176.519 -0.044 0.000 1.077 185 W CA -0.747 56.569 57.345 -0.049 0.000 1.226 185 W CB 1.944 31.355 29.460 -0.082 0.000 1.419 185 W HN 0.984 nan 8.180 nan 0.000 0.502 186 S N 1.270 117.069 115.700 0.165 0.000 2.584 186 S HA 0.189 4.660 4.470 0.001 0.000 0.270 186 S C 0.074 174.723 174.600 0.082 0.000 1.346 186 S CA -0.751 57.508 58.200 0.097 0.000 1.018 186 S CB 0.874 64.120 63.200 0.076 0.000 0.899 186 S HN 0.478 nan 8.310 nan 0.000 0.542 187 K N 1.812 122.236 120.400 0.040 0.000 2.447 187 K HA 0.140 4.460 4.320 0.001 0.000 0.281 187 K C -2.478 174.139 176.600 0.027 0.000 1.031 187 K CA -1.397 54.888 56.287 -0.004 0.000 1.019 187 K CB -0.230 32.275 32.500 0.009 0.000 0.918 187 K HN 0.374 nan 8.250 nan 0.000 0.476 188 P HA -0.055 nan 4.420 nan 0.000 0.264 188 P C -1.055 176.446 177.300 0.336 0.000 1.193 188 P CA -0.222 62.950 63.100 0.119 0.000 0.763 188 P CB 0.686 32.380 31.700 -0.010 0.000 0.810 189 V N 3.669 123.753 119.914 0.283 0.000 2.481 189 V HA 0.148 4.268 4.120 0.001 0.000 0.286 189 V C 0.486 176.630 176.094 0.083 0.000 1.042 189 V CA -0.324 62.097 62.300 0.201 0.000 0.928 189 V CB 1.362 33.253 31.823 0.114 0.000 0.986 189 V HN 0.483 nan 8.190 nan 0.000 0.462 190 D N 4.249 124.569 120.400 -0.133 0.000 2.336 190 D HA 0.237 4.878 4.640 0.001 0.000 0.249 190 D C 0.244 176.411 176.300 -0.222 0.000 1.213 190 D CA 0.105 53.752 54.000 -0.587 0.000 0.870 190 D CB 1.029 41.520 40.800 -0.515 0.000 1.076 190 D HN 0.460 nan 8.370 nan 0.000 0.483 191 L N 3.391 124.487 121.223 -0.212 0.000 2.965 191 L HA 0.101 4.441 4.340 0.001 0.000 0.254 191 L C 1.849 178.665 176.870 -0.089 0.000 1.220 191 L CA -0.197 54.589 54.840 -0.089 0.000 1.023 191 L CB 0.289 42.311 42.059 -0.062 0.000 1.355 191 L HN 0.297 nan 8.230 nan 0.000 0.545 192 T N -0.375 114.114 114.554 -0.109 0.000 2.652 192 T HA -0.141 4.210 4.350 0.001 0.000 0.267 192 T C 1.919 176.582 174.700 -0.061 0.000 1.039 192 T CA 1.216 63.248 62.100 -0.113 0.000 1.153 192 T CB 0.031 68.773 68.868 -0.210 0.000 0.863 192 T HN 0.142 nan 8.240 nan 0.000 0.428 193 K N 1.052 121.455 120.400 0.006 0.000 2.209 193 K HA -0.002 4.318 4.320 0.001 0.000 0.204 193 K C 2.157 178.720 176.600 -0.062 0.000 1.048 193 K CA 1.094 57.359 56.287 -0.037 0.000 0.940 193 K CB -0.225 32.235 32.500 -0.068 0.000 0.729 193 K HN 0.413 nan 8.250 nan 0.000 0.451 194 E N -0.180 119.991 120.200 -0.048 0.000 2.102 194 E HA 0.098 4.449 4.350 0.001 0.000 0.190 194 E C 1.387 177.950 176.600 -0.061 0.000 0.971 194 E CA 0.605 56.984 56.400 -0.034 0.000 0.821 194 E CB 0.214 29.922 29.700 0.012 0.000 0.777 194 E HN 0.114 nan 8.360 nan 0.000 0.460 195 L N -0.198 120.969 121.223 -0.095 0.000 2.966 195 L HA 0.289 4.629 4.340 0.001 0.000 0.262 195 L C -0.229 176.501 176.870 -0.234 0.000 1.165 195 L CA -0.024 54.735 54.840 -0.135 0.000 0.978 195 L CB 0.946 42.936 42.059 -0.115 0.000 1.337 195 L HN -0.104 nan 8.230 nan 0.000 0.563 196 T N 0.844 115.237 114.554 -0.268 0.000 2.792 196 T HA 0.405 4.756 4.350 0.001 0.000 0.280 196 T C -2.532 171.861 174.700 -0.512 0.000 0.990 196 T CA -1.458 60.381 62.100 -0.436 0.000 0.960 196 T CB 1.858 70.542 68.868 -0.307 0.000 0.939 196 T HN -0.235 nan 8.240 nan 0.000 0.439 197 P HA 0.134 nan 4.420 nan 0.000 0.266 197 P C -0.252 176.787 177.300 -0.435 0.000 1.195 197 P CA -0.293 62.393 63.100 -0.690 0.000 0.768 197 P CB 0.378 31.490 31.700 -0.978 0.000 0.838 198 D N 1.534 121.833 120.400 -0.167 0.000 2.449 198 D HA 0.222 4.862 4.640 0.001 0.000 0.236 198 D C 1.667 178.032 176.300 0.108 0.000 1.149 198 D CA 1.725 55.709 54.000 -0.026 0.000 0.878 198 D CB 0.002 40.794 40.800 -0.014 0.000 1.198 198 D HN 0.658 nan 8.370 nan 0.000 0.446 199 G N 0.565 109.450 108.800 0.141 0.000 2.179 199 G HA2 -0.271 3.689 3.960 0.001 0.000 0.260 199 G HA3 -0.271 3.689 3.960 0.001 0.000 0.260 199 G C -0.032 175.041 174.900 0.288 0.000 0.977 199 G CA -0.027 45.186 45.100 0.187 0.000 0.641 199 G HN 0.377 nan 8.290 nan 0.000 0.533 200 W N 0.355 121.656 121.300 0.002 0.000 2.150 200 W HA 0.685 5.345 4.660 0.001 0.000 0.341 200 W C 0.951 177.473 176.519 0.004 0.000 1.276 200 W CA 0.389 57.735 57.345 0.001 0.000 1.238 200 W CB 0.938 30.384 29.460 -0.023 0.000 1.128 200 W HN 0.359 nan 8.180 nan 0.000 0.581 201 A N 3.286 126.208 122.820 0.170 0.000 2.284 201 A HA 0.157 4.478 4.320 0.001 0.000 0.219 201 A C 0.110 177.782 177.584 0.147 0.000 2.353 201 A CA -0.333 51.779 52.037 0.126 0.000 1.164 201 A CB -0.876 18.183 19.000 0.098 0.000 1.293 201 A HN 0.674 nan 8.150 nan 0.000 0.586 202 W N 1.567 122.848 121.300 -0.032 0.000 2.170 202 W HA 0.406 5.067 4.660 0.001 0.000 0.342 202 W C -1.081 175.461 176.519 0.039 0.000 1.294 202 W CA 1.544 58.874 57.345 -0.026 0.000 1.246 202 W CB 0.603 30.019 29.460 -0.073 0.000 1.156 202 W HN 0.542 nan 8.180 nan 0.000 0.572 203 D N 2.502 122.417 120.400 -0.809 0.000 2.622 203 D HA 0.647 5.288 4.640 0.001 0.000 0.255 203 D C -1.888 173.983 176.300 -0.714 0.000 1.246 203 D CA -0.434 53.321 54.000 -0.408 0.000 0.795 203 D CB 1.657 42.422 40.800 -0.058 0.000 1.369 203 D HN 0.446 nan 8.370 nan 0.000 0.425 204 A N 0.813 123.480 122.820 -0.255 0.000 2.547 204 A HA 0.614 4.934 4.320 0.001 0.000 0.297 204 A C -1.649 175.906 177.584 -0.049 0.000 1.056 204 A CA -0.633 51.313 52.037 -0.151 0.000 0.688 204 A CB 1.631 20.637 19.000 0.010 0.000 1.282 204 A HN 0.452 nan 8.150 nan 0.000 0.400 205 V N 2.896 122.789 119.914 -0.034 0.000 2.483 205 V HA 0.688 4.808 4.120 0.001 0.000 0.295 205 V C 1.188 177.287 176.094 0.009 0.000 1.035 205 V CA 1.426 63.709 62.300 -0.028 0.000 0.896 205 V CB 0.986 32.795 31.823 -0.023 0.000 0.986 205 V HN 2.660 nan 8.190 nan 0.000 0.447 206 G N 7.842 116.641 108.800 -0.002 0.000 2.651 206 G HA2 -0.221 3.740 3.960 0.001 0.000 0.315 206 G HA3 -0.221 3.740 3.960 0.001 0.000 0.315 206 G C -2.372 172.564 174.900 0.059 0.000 1.258 206 G CA 0.323 45.440 45.100 0.029 0.000 1.002 206 G HN 0.818 nan 8.290 nan 0.000 0.551 207 P HA 0.553 nan 4.420 nan 0.000 0.287 207 P C 0.548 177.903 177.300 0.092 0.000 1.270 207 P CA 1.151 64.314 63.100 0.106 0.000 0.844 207 P CB 1.614 33.418 31.700 0.174 0.000 1.068 208 G N 1.428 110.281 108.800 0.087 0.000 2.725 208 G HA2 -0.012 3.949 3.960 0.001 0.000 0.100 208 G HA3 -0.012 3.949 3.960 0.001 0.000 0.100 208 G C -0.747 174.216 174.900 0.105 0.000 2.315 208 G CA -0.032 45.126 45.100 0.098 0.000 1.153 208 G HN 0.886 nan 8.290 nan 0.000 0.325 209 N N 0.529 119.289 118.700 0.100 0.000 2.745 209 N HA 0.519 5.259 4.740 0.001 0.000 0.256 209 N C -0.062 175.513 175.510 0.108 0.000 1.268 209 N CA 0.151 53.270 53.050 0.116 0.000 0.887 209 N CB 1.253 39.827 38.487 0.145 0.000 1.575 209 N HN 0.945 nan 8.380 nan 0.000 0.496 210 G N -0.010 108.864 108.800 0.123 0.000 2.535 210 G HA2 0.710 4.670 3.960 0.001 0.000 0.303 210 G HA3 0.710 4.670 3.960 0.001 0.000 0.303 210 G C 0.041 175.031 174.900 0.150 0.000 1.237 210 G CA -0.939 44.234 45.100 0.121 0.000 0.986 210 G HN 0.811 nan 8.290 nan 0.000 0.494 211 I N -3.081 117.579 120.570 0.150 0.000 3.074 211 I HA 0.737 4.908 4.170 0.001 0.000 0.310 211 I C -0.872 175.337 176.117 0.153 0.000 1.153 211 I CA -1.390 60.001 61.300 0.151 0.000 0.993 211 I CB 2.646 40.733 38.000 0.145 0.000 1.237 211 I HN 0.367 nan 8.210 nan 0.000 0.443 212 R N 4.262 124.845 120.500 0.138 0.000 2.393 212 R HA 0.593 4.934 4.340 0.001 0.000 0.315 212 R C -1.469 174.891 176.300 0.101 0.000 0.952 212 R CA -0.691 55.484 56.100 0.125 0.000 0.842 212 R CB 1.424 31.797 30.300 0.122 0.000 1.163 212 R HN 0.817 nan 8.270 nan 0.000 0.450 213 L N 2.998 124.277 121.223 0.093 0.000 2.436 213 L HA 0.173 4.514 4.340 0.001 0.000 0.265 213 L C 2.104 179.010 176.870 0.060 0.000 1.168 213 L CA -0.267 54.619 54.840 0.077 0.000 0.815 213 L CB 1.094 43.197 42.059 0.073 0.000 1.109 213 L HN 0.778 nan 8.230 nan 0.000 0.462 214 T N -3.401 111.183 114.554 0.051 0.000 2.737 214 T HA -0.210 4.140 4.350 0.001 0.000 0.269 214 T C 1.485 176.205 174.700 0.035 0.000 1.040 214 T CA 1.799 63.922 62.100 0.040 0.000 1.142 214 T CB -0.742 68.146 68.868 0.034 0.000 0.861 214 T HN 0.837 nan 8.240 nan 0.000 0.456 215 T N -1.957 112.617 114.554 0.035 0.000 3.160 215 T HA 0.463 4.813 4.350 0.001 0.000 0.257 215 T C 1.872 176.590 174.700 0.029 0.000 1.147 215 T CA 0.634 62.750 62.100 0.028 0.000 1.064 215 T CB -0.341 68.542 68.868 0.024 0.000 0.949 215 T HN 0.972 nan 8.240 nan 0.000 0.526 216 G N 0.706 109.529 108.800 0.038 0.000 2.238 216 G HA2 -0.188 3.772 3.960 0.001 0.000 0.217 216 G HA3 -0.188 3.772 3.960 0.001 0.000 0.217 216 G C -0.176 174.752 174.900 0.046 0.000 0.996 216 G CA -0.245 44.878 45.100 0.039 0.000 0.632 216 G HN 0.601 nan 8.290 nan 0.000 0.503 217 E N 0.515 120.745 120.200 0.049 0.000 2.392 217 E HA 0.650 5.001 4.350 0.001 0.000 0.259 217 E C 0.683 177.340 176.600 0.094 0.000 1.108 217 E CA -0.159 56.275 56.400 0.057 0.000 0.916 217 E CB 0.875 30.609 29.700 0.056 0.000 0.989 217 E HN 0.404 nan 8.360 nan 0.000 0.432 218 L N 1.197 122.491 121.223 0.120 0.000 2.343 218 L HA 0.537 4.877 4.340 0.001 0.000 0.275 218 L C -0.782 176.190 176.870 0.170 0.000 1.056 218 L CA -1.090 53.859 54.840 0.182 0.000 0.804 218 L CB 1.139 43.370 42.059 0.288 0.000 1.203 218 L HN 0.223 nan 8.230 nan 0.000 0.440 219 V N 3.836 123.839 119.914 0.148 0.000 2.482 219 V HA 0.415 4.535 4.120 0.001 0.000 0.295 219 V C -0.479 175.648 176.094 0.054 0.000 1.026 219 V CA -0.366 61.998 62.300 0.105 0.000 0.856 219 V CB 1.951 33.850 31.823 0.126 0.000 1.001 219 V HN 0.446 nan 8.190 nan 0.000 0.424 220 I N 7.800 128.336 120.570 -0.057 0.000 2.362 220 I HA 0.491 4.662 4.170 0.001 0.000 0.289 220 I C -2.284 173.739 176.117 -0.155 0.000 0.994 220 I CA -2.023 59.175 61.300 -0.170 0.000 1.158 220 I CB 2.151 39.833 38.000 -0.530 0.000 1.315 220 I HN 0.411 nan 8.210 nan 0.000 0.451 221 P HA 0.494 nan 4.420 nan 0.000 0.279 221 P C -0.986 176.261 177.300 -0.088 0.000 1.239 221 P CA -0.220 62.846 63.100 -0.057 0.000 0.789 221 P CB 1.836 33.540 31.700 0.007 0.000 0.933 222 A N 3.286 126.059 122.820 -0.078 0.000 2.567 222 A HA 0.612 4.932 4.320 0.001 0.000 0.289 222 A C -0.431 177.152 177.584 -0.002 0.000 1.177 222 A CA -1.051 50.950 52.037 -0.060 0.000 0.694 222 A CB 1.036 19.968 19.000 -0.114 0.000 1.292 222 A HN 0.576 nan 8.150 nan 0.000 0.425 223 M N 1.407 121.042 119.600 0.059 0.000 2.303 223 M HA 0.392 4.872 4.480 0.001 0.000 0.350 223 M C 1.177 177.608 176.300 0.218 0.000 1.518 223 M CA 2.193 57.568 55.300 0.126 0.000 1.070 223 M CB -0.272 32.443 32.600 0.190 0.000 1.910 223 M HN 2.128 nan 8.290 nan 0.000 0.458 224 G N 4.333 113.196 108.800 0.105 0.000 2.168 224 G HA2 -0.297 3.663 3.960 0.001 0.000 0.263 224 G HA3 -0.297 3.663 3.960 0.001 0.000 0.263 224 G C -0.135 174.826 174.900 0.102 0.000 0.977 224 G CA 0.799 45.986 45.100 0.146 0.000 0.659 224 G HN 0.990 nan 8.290 nan 0.000 0.533 225 R N -1.877 118.637 120.500 0.023 0.000 2.753 225 R HA 0.453 4.794 4.340 0.001 0.000 0.272 225 R C -1.727 174.525 176.300 -0.080 0.000 1.034 225 R CA -1.047 55.031 56.100 -0.036 0.000 0.869 225 R CB 0.196 30.458 30.300 -0.064 0.000 1.264 225 R HN 0.019 nan 8.270 nan 0.000 0.481 226 N N 1.115 119.763 118.700 -0.088 0.000 2.417 226 N HA 0.487 5.227 4.740 0.001 0.000 0.300 226 N C -0.670 174.787 175.510 -0.090 0.000 1.102 226 N CA -0.579 52.422 53.050 -0.083 0.000 0.886 226 N CB 1.603 40.070 38.487 -0.033 0.000 1.203 226 N HN 0.443 nan 8.380 nan 0.000 0.496 227 I N 2.317 122.799 120.570 -0.146 0.000 2.321 227 I HA 0.310 4.481 4.170 0.001 0.000 0.291 227 I C -0.154 175.950 176.117 -0.021 0.000 0.998 227 I CA -0.555 60.650 61.300 -0.158 0.000 1.227 227 I CB 0.960 38.693 38.000 -0.446 0.000 1.368 227 I HN 0.165 nan 8.210 nan 0.000 0.466 228 I N 5.104 125.735 120.570 0.101 0.000 2.412 228 I HA 0.481 4.652 4.170 0.001 0.000 0.296 228 I C 0.579 176.864 176.117 0.280 0.000 0.987 228 I CA -0.480 60.915 61.300 0.158 0.000 1.180 228 I CB 1.362 39.423 38.000 0.103 0.000 1.340 228 I HN 0.604 nan 8.210 nan 0.000 0.455 229 G N 6.368 115.311 108.800 0.238 0.000 2.487 229 G HA2 0.688 4.649 3.960 0.001 0.000 0.314 229 G HA3 0.688 4.649 3.960 0.001 0.000 0.314 229 G C -0.338 174.489 174.900 -0.121 0.000 1.267 229 G CA -0.569 44.504 45.100 -0.046 0.000 0.937 229 G HN 0.538 nan 8.290 nan 0.000 0.481 230 R N 0.942 121.321 120.500 -0.201 0.000 2.892 230 R HA 0.828 5.168 4.340 0.001 0.000 0.265 230 R C 0.533 176.740 176.300 -0.155 0.000 1.025 230 R CA 0.176 56.203 56.100 -0.122 0.000 0.982 230 R CB 2.106 32.366 30.300 -0.067 0.000 1.185 230 R HN 1.144 nan 8.270 nan 0.000 0.484 231 G N 0.393 109.139 108.800 -0.090 0.000 2.568 231 G HA2 -0.119 3.841 3.960 0.001 0.000 0.222 231 G HA3 -0.119 3.841 3.960 0.001 0.000 0.222 231 G C -0.723 174.140 174.900 -0.063 0.000 1.321 231 G CA -0.446 44.606 45.100 -0.078 0.000 0.893 231 G HN 0.801 nan 8.290 nan 0.000 0.569 232 A N 1.258 124.046 122.820 -0.053 0.000 2.520 232 A HA 0.593 4.914 4.320 0.001 0.000 0.245 232 A C -1.612 175.966 177.584 -0.011 0.000 1.072 232 A CA 0.060 52.081 52.037 -0.027 0.000 0.761 232 A CB -0.290 18.696 19.000 -0.023 0.000 1.004 232 A HN 0.587 nan 8.150 nan 0.000 0.499 233 P HA 0.150 nan 4.420 nan 0.000 0.260 233 P C 1.102 178.432 177.300 0.051 0.000 1.172 233 P CA 2.158 65.287 63.100 0.049 0.000 0.760 233 P CB 0.489 32.209 31.700 0.034 0.000 0.773 234 G N 2.916 111.789 108.800 0.122 0.000 2.184 234 G HA2 -0.281 3.679 3.960 0.001 0.000 0.264 234 G HA3 -0.281 3.679 3.960 0.001 0.000 0.264 234 G C 0.538 175.512 174.900 0.122 0.000 0.975 234 G CA 0.312 45.431 45.100 0.032 0.000 0.642 234 G HN 0.648 nan 8.290 nan 0.000 0.536 235 N N -0.474 118.294 118.700 0.113 0.000 2.622 235 N HA 0.201 4.941 4.740 0.001 0.000 0.293 235 N C 0.361 175.820 175.510 -0.084 0.000 1.788 235 N CA -0.476 52.600 53.050 0.042 0.000 0.860 235 N CB 0.267 38.758 38.487 0.006 0.000 1.388 235 N HN 0.205 nan 8.380 nan 0.000 0.496 236 R N -0.065 120.303 120.500 -0.220 0.000 2.539 236 R HA 0.324 4.664 4.340 0.001 0.000 0.275 236 R C -0.225 175.612 176.300 -0.772 0.000 1.077 236 R CA -0.047 55.698 56.100 -0.591 0.000 1.097 236 R CB 0.248 29.877 30.300 -1.118 0.000 1.018 236 R HN 0.163 nan 8.270 nan 0.000 0.483 237 T N 2.821 117.039 114.554 -0.561 0.000 2.780 237 T HA 0.271 4.622 4.350 0.001 0.000 0.294 237 T C -0.250 174.181 174.700 -0.450 0.000 0.949 237 T CA -0.231 61.620 62.100 -0.415 0.000 1.074 237 T CB 0.362 69.120 68.868 -0.183 0.000 0.910 237 T HN 0.344 nan 8.240 nan 0.000 0.501 238 W N 2.174 123.472 121.300 -0.003 0.000 2.496 238 W HA 0.574 5.235 4.660 0.001 0.000 0.327 238 W C 0.510 177.017 176.519 -0.019 0.000 1.086 238 W CA -0.766 56.573 57.345 -0.009 0.000 1.222 238 W CB 1.132 30.602 29.460 0.016 0.000 1.304 238 W HN 0.702 nan 8.180 nan 0.000 0.547 239 S N -0.065 115.771 115.700 0.227 0.000 2.607 239 S HA 0.773 5.243 4.470 0.001 0.000 0.273 239 S C -1.473 173.163 174.600 0.060 0.000 1.148 239 S CA -1.077 57.185 58.200 0.104 0.000 0.833 239 S CB 1.459 64.697 63.200 0.063 0.000 1.130 239 S HN 0.224 nan 8.310 nan 0.000 0.470 240 V N 1.751 121.670 119.914 0.009 0.000 2.398 240 V HA 0.523 4.643 4.120 0.001 0.000 0.286 240 V C -0.219 175.868 176.094 -0.011 0.000 1.026 240 V CA -0.462 61.818 62.300 -0.033 0.000 0.868 240 V CB 1.318 33.087 31.823 -0.090 0.000 0.982 240 V HN 0.943 nan 8.190 nan 0.000 0.443 241 Q N 4.888 124.685 119.800 -0.005 0.000 2.400 241 Q HA 0.362 4.703 4.340 0.001 0.000 0.255 241 Q C -0.511 175.492 176.000 0.003 0.000 1.008 241 Q CA -0.834 54.983 55.803 0.024 0.000 0.841 241 Q CB 0.709 29.487 28.738 0.066 0.000 1.220 241 Q HN 0.579 nan 8.270 nan 0.000 0.474 242 R N 3.319 123.828 120.500 0.015 0.000 2.490 242 R HA 0.387 4.728 4.340 0.001 0.000 0.280 242 R C -0.450 175.876 176.300 0.044 0.000 1.077 242 R CA -0.019 56.095 56.100 0.023 0.000 1.065 242 R CB 0.278 30.598 30.300 0.034 0.000 1.003 242 R HN 0.618 nan 8.270 nan 0.000 0.470 243 L N 0.791 122.041 121.223 0.045 0.000 2.362 243 L HA 0.376 4.717 4.340 0.001 0.000 0.271 243 L C -0.028 176.899 176.870 0.096 0.000 1.002 243 L CA -0.713 54.164 54.840 0.062 0.000 0.818 243 L CB 2.281 44.348 42.059 0.012 0.000 1.298 243 L HN 0.458 nan 8.230 nan 0.000 0.420 244 S N 0.912 116.695 115.700 0.139 0.000 2.438 244 S HA 0.500 4.971 4.470 0.001 0.000 0.293 244 S C 0.800 175.491 174.600 0.152 0.000 1.141 244 S CA 0.245 58.518 58.200 0.122 0.000 1.080 244 S CB 1.233 64.503 63.200 0.117 0.000 0.978 244 S HN 1.042 nan 8.310 nan 0.000 0.479 245 G N 2.086 110.900 108.800 0.023 0.000 2.143 245 G HA2 -0.168 3.792 3.960 0.001 0.000 0.249 245 G HA3 -0.168 3.792 3.960 0.001 0.000 0.249 245 G C 0.271 174.887 174.900 -0.474 0.000 0.981 245 G CA -0.121 44.936 45.100 -0.072 0.000 0.665 245 G HN 1.100 nan 8.290 nan 0.000 0.528 246 A N -0.089 122.377 122.820 -0.590 0.000 2.386 246 A HA 0.741 5.061 4.320 0.001 0.000 0.246 246 A C 1.319 178.562 177.584 -0.568 0.000 1.089 246 A CA 0.960 52.383 52.037 -1.024 0.000 0.790 246 A CB 0.247 18.973 19.000 -0.456 0.000 1.042 246 A HN 1.745 nan 8.150 nan 0.000 0.497 247 G N -1.746 106.754 108.800 -0.499 0.000 2.588 247 G HA2 0.493 4.453 3.960 0.001 0.000 0.281 247 G HA3 0.493 4.453 3.960 0.001 0.000 0.281 247 G C 0.983 175.814 174.900 -0.116 0.000 1.236 247 G CA 0.205 45.160 45.100 -0.242 0.000 0.969 247 G HN 1.280 nan 8.290 nan 0.000 0.504 248 A N -0.929 121.868 122.820 -0.038 0.000 1.898 248 A HA 0.186 4.507 4.320 0.001 0.000 0.214 248 A C 1.121 178.742 177.584 0.061 0.000 1.183 248 A CA 0.873 52.944 52.037 0.057 0.000 0.622 248 A CB -0.097 18.995 19.000 0.154 0.000 0.824 248 A HN 0.592 nan 8.150 nan 0.000 0.444 249 E N 0.078 120.299 120.200 0.034 0.000 2.101 249 E HA 0.468 4.818 4.350 0.001 0.000 0.260 249 E C -0.256 176.342 176.600 -0.003 0.000 0.897 249 E CA -0.454 55.962 56.400 0.027 0.000 0.744 249 E CB 1.231 30.944 29.700 0.023 0.000 1.140 249 E HN 0.409 nan 8.360 nan 0.000 0.419 250 G N 1.537 110.341 108.800 0.006 0.000 2.441 250 G HA2 0.518 4.479 3.960 0.001 0.000 0.334 250 G HA3 0.518 4.479 3.960 0.001 0.000 0.334 250 G C -0.231 174.699 174.900 0.050 0.000 1.161 250 G CA -0.414 44.699 45.100 0.022 0.000 0.935 250 G HN 0.341 nan 8.290 nan 0.000 0.488 251 T N -1.935 112.675 114.554 0.093 0.000 2.924 251 T HA 0.707 5.058 4.350 0.001 0.000 0.291 251 T C -0.904 173.897 174.700 0.168 0.000 1.045 251 T CA -0.717 61.464 62.100 0.136 0.000 1.015 251 T CB 1.924 70.907 68.868 0.191 0.000 1.103 251 T HN 0.584 nan 8.240 nan 0.000 0.496 252 I N 1.455 122.143 120.570 0.196 0.000 2.686 252 I HA 0.821 4.991 4.170 0.001 0.000 0.295 252 I C -1.414 174.868 176.117 0.276 0.000 1.114 252 I CA -0.837 60.603 61.300 0.233 0.000 1.038 252 I CB 1.985 40.089 38.000 0.174 0.000 1.238 252 I HN 0.772 nan 8.210 nan 0.000 0.420 253 V N 6.349 126.468 119.914 0.341 0.000 3.147 253 V HA 0.474 4.595 4.120 0.001 0.000 0.306 253 V C -1.136 175.097 176.094 0.231 0.000 1.209 253 V CA -0.537 61.923 62.300 0.267 0.000 1.023 253 V CB 2.294 34.272 31.823 0.257 0.000 1.059 253 V HN 0.820 nan 8.190 nan 0.000 0.435 254 Q N 2.232 122.125 119.800 0.156 0.000 2.322 254 Q HA 0.487 4.828 4.340 0.001 0.000 0.256 254 Q C -0.003 176.036 176.000 0.065 0.000 0.960 254 Q CA -0.408 55.462 55.803 0.112 0.000 0.934 254 Q CB 1.309 30.102 28.738 0.091 0.000 1.200 254 Q HN 0.961 nan 8.270 nan 0.000 0.435 255 T N 1.365 115.940 114.554 0.035 0.000 2.788 255 T HA 0.240 4.590 4.350 0.001 0.000 0.287 255 T C -1.921 172.771 174.700 -0.012 0.000 1.007 255 T CA -1.462 60.618 62.100 -0.032 0.000 1.005 255 T CB 0.506 69.327 68.868 -0.079 0.000 1.012 255 T HN 0.438 nan 8.240 nan 0.000 0.530 256 P HA -0.066 nan 4.420 nan 0.000 0.218 256 P C 1.055 178.355 177.300 -0.000 0.000 1.149 256 P CA 1.006 64.104 63.100 -0.003 0.000 0.817 256 P CB -0.182 31.515 31.700 -0.006 0.000 0.785 257 D N -1.450 118.945 120.400 -0.009 0.000 2.392 257 D HA -0.019 4.622 4.640 0.001 0.000 0.228 257 D C 1.494 177.792 176.300 -0.004 0.000 1.003 257 D CA 1.072 55.068 54.000 -0.007 0.000 0.917 257 D CB -1.136 39.656 40.800 -0.014 0.000 0.890 257 D HN 0.252 nan 8.370 nan 0.000 0.532 258 G N -0.361 108.441 108.800 0.003 0.000 2.175 258 G HA2 -0.299 3.661 3.960 0.001 0.000 0.244 258 G HA3 -0.299 3.661 3.960 0.001 0.000 0.244 258 G C 0.316 175.218 174.900 0.003 0.000 0.982 258 G CA 0.219 45.324 45.100 0.009 0.000 0.641 258 G HN 0.480 nan 8.290 nan 0.000 0.527 259 K N -0.066 120.329 120.400 -0.008 0.000 2.102 259 K HA 0.642 4.962 4.320 0.001 0.000 0.244 259 K C 0.737 177.341 176.600 0.006 0.000 1.021 259 K CA -0.448 55.820 56.287 -0.032 0.000 0.913 259 K CB 0.797 33.265 32.500 -0.054 0.000 1.062 259 K HN 0.214 nan 8.250 nan 0.000 0.485 260 L N 1.246 122.444 121.223 -0.042 0.000 2.399 260 L HA 0.372 4.713 4.340 0.001 0.000 0.265 260 L C -0.660 176.315 176.870 0.176 0.000 1.089 260 L CA -0.792 54.095 54.840 0.078 0.000 0.802 260 L CB 0.393 42.508 42.059 0.095 0.000 1.180 260 L HN 0.570 nan 8.230 nan 0.000 0.454 261 Y N 2.052 122.464 120.300 0.188 0.000 2.307 261 Y HA 0.395 4.945 4.550 0.001 0.000 0.323 261 Y C -0.902 175.147 175.900 0.248 0.000 1.100 261 Y CA -0.886 57.327 58.100 0.187 0.000 1.140 261 Y CB 0.842 39.377 38.460 0.126 0.000 1.159 261 Y HN 0.439 nan 8.280 nan 0.000 0.436 262 R N 4.462 124.970 120.500 0.013 0.000 2.312 262 R HA 0.324 4.665 4.340 0.001 0.000 0.311 262 R C -1.006 175.133 176.300 -0.268 0.000 1.004 262 R CA -0.503 55.574 56.100 -0.038 0.000 0.902 262 R CB 1.308 31.629 30.300 0.034 0.000 1.073 262 R HN 0.762 nan 8.270 nan 0.000 0.457 263 N N 2.611 121.258 118.700 -0.088 0.000 2.577 263 N HA 0.148 4.888 4.740 0.001 0.000 0.275 263 N C -1.581 173.991 175.510 0.104 0.000 1.091 263 N CA -0.305 52.706 53.050 -0.064 0.000 0.843 263 N CB 0.986 39.444 38.487 -0.049 0.000 1.295 263 N HN 0.349 nan 8.380 nan 0.000 0.530 264 D N 0.799 121.267 120.400 0.114 0.000 2.228 264 D HA 0.281 4.921 4.640 0.001 0.000 0.247 264 D C 0.220 176.536 176.300 0.027 0.000 0.995 264 D CA -0.369 53.663 54.000 0.054 0.000 0.903 264 D CB 1.854 42.631 40.800 -0.038 0.000 1.205 264 D HN 0.356 nan 8.370 nan 0.000 0.459 265 R N 1.809 122.304 120.500 -0.008 0.000 2.489 265 R HA 0.181 4.522 4.340 0.001 0.000 0.287 265 R C -2.203 174.078 176.300 -0.032 0.000 1.053 265 R CA -0.928 55.160 56.100 -0.022 0.000 1.036 265 R CB 0.316 30.587 30.300 -0.048 0.000 0.966 265 R HN 0.234 nan 8.270 nan 0.000 0.432 266 P HA 0.018 nan 4.420 nan 0.000 0.276 266 P C 0.012 177.288 177.300 -0.040 0.000 1.244 266 P CA -0.307 62.778 63.100 -0.025 0.000 0.801 266 P CB 1.436 33.135 31.700 -0.001 0.000 1.006 267 S N 0.572 116.243 115.700 -0.049 0.000 2.402 267 S HA -0.097 4.373 4.470 0.001 0.000 0.229 267 S C 0.756 175.329 174.600 -0.045 0.000 1.021 267 S CA 0.760 58.928 58.200 -0.053 0.000 0.974 267 S CB -0.362 62.800 63.200 -0.063 0.000 0.800 267 S HN 0.492 nan 8.310 nan 0.000 0.484 268 Q N 0.761 120.540 119.800 -0.036 0.000 2.413 268 Q HA 0.448 4.789 4.340 0.001 0.000 0.276 268 Q C -1.043 174.931 176.000 -0.042 0.000 1.099 268 Q CA -0.691 55.091 55.803 -0.036 0.000 0.814 268 Q CB 1.639 30.359 28.738 -0.030 0.000 1.379 268 Q HN 0.301 nan 8.270 nan 0.000 0.436 269 K N 0.327 120.695 120.400 -0.053 0.000 2.561 269 K HA 0.178 4.498 4.320 0.001 0.000 0.280 269 K C 0.573 177.100 176.600 -0.123 0.000 0.975 269 K CA 1.146 57.384 56.287 -0.081 0.000 1.024 269 K CB 0.152 32.606 32.500 -0.076 0.000 0.883 269 K HN 0.913 nan 8.250 nan 0.000 0.496 270 G N 1.834 110.505 108.800 -0.216 0.000 2.123 270 G HA2 -0.025 3.936 3.960 0.001 0.000 0.100 270 G HA3 -0.025 3.936 3.960 0.001 0.000 0.100 270 G C -1.520 172.905 174.900 -0.793 0.000 1.023 270 G CA -0.535 44.302 45.100 -0.437 0.000 1.101 270 G HN 0.480 nan 8.290 nan 0.000 0.331 271 Y N 1.042 121.342 120.300 0.001 0.000 2.588 271 Y HA 0.777 5.327 4.550 0.001 0.000 0.343 271 Y C 0.156 176.058 175.900 0.003 0.000 1.065 271 Y CA -1.216 56.885 58.100 0.001 0.000 1.038 271 Y CB 1.225 39.686 38.460 0.001 0.000 1.297 271 Y HN 0.220 nan 8.280 nan 0.000 0.467 272 R N 1.864 122.462 120.500 0.164 0.000 2.623 272 R HA 0.235 4.576 4.340 0.001 0.000 0.271 272 R C -0.677 175.680 176.300 0.095 0.000 1.043 272 R CA 0.034 56.189 56.100 0.093 0.000 1.083 272 R CB 0.187 30.500 30.300 0.021 0.000 0.974 272 R HN 0.589 nan 8.270 nan 0.000 0.436 273 M N 2.889 122.547 119.600 0.097 0.000 2.101 273 M HA 0.289 4.769 4.480 0.001 0.000 0.340 273 M C -0.554 175.895 176.300 0.248 0.000 1.057 273 M CA -0.818 54.580 55.300 0.165 0.000 0.984 273 M CB 1.502 34.179 32.600 0.129 0.000 1.560 273 M HN 0.135 nan 8.290 nan 0.000 0.435 274 V N 2.724 122.714 119.914 0.126 0.000 2.555 274 V HA 0.929 5.049 4.120 0.001 0.000 0.302 274 V C -0.170 175.730 176.094 -0.324 0.000 1.038 274 V CA -0.725 61.495 62.300 -0.133 0.000 0.887 274 V CB 1.838 33.551 31.823 -0.183 0.000 0.991 274 V HN 0.958 nan 8.190 nan 0.000 0.434 275 A N 5.022 127.453 122.820 -0.648 0.000 2.515 275 A HA 0.935 5.255 4.320 0.001 0.000 0.298 275 A C -0.782 176.673 177.584 -0.217 0.000 1.059 275 A CA -0.847 50.794 52.037 -0.660 0.000 0.698 275 A CB 1.848 19.924 19.000 -1.539 0.000 1.289 275 A HN 0.793 nan 8.150 nan 0.000 0.404 276 R N -0.023 120.424 120.500 -0.089 0.000 2.807 276 R HA 0.798 5.138 4.340 0.001 0.000 0.276 276 R C 0.193 176.260 176.300 -0.389 0.000 0.979 276 R CA -0.087 55.951 56.100 -0.103 0.000 0.928 276 R CB 2.515 32.794 30.300 -0.035 0.000 1.191 276 R HN 1.293 nan 8.270 nan 0.000 0.471 277 G N -0.194 108.127 108.800 -0.798 0.000 2.435 277 G HA2 0.392 4.352 3.960 0.001 0.000 0.296 277 G HA3 0.392 4.352 3.960 0.001 0.000 0.296 277 G C -1.084 173.354 174.900 -0.770 0.000 1.240 277 G CA -0.033 44.479 45.100 -0.981 0.000 0.872 277 G HN 0.649 nan 8.290 nan 0.000 0.480 278 T N -2.546 111.644 114.554 -0.607 0.000 2.654 278 T HA 0.539 4.889 4.350 0.001 0.000 0.289 278 T C 1.057 175.693 174.700 -0.105 0.000 1.062 278 T CA -0.497 61.444 62.100 -0.266 0.000 1.041 278 T CB 1.022 69.808 68.868 -0.136 0.000 1.417 278 T HN 0.473 nan 8.240 nan 0.000 0.510 279 L N 0.352 121.575 121.223 -0.000 0.000 2.456 279 L HA 0.061 4.402 4.340 0.001 0.000 0.224 279 L C 2.347 179.254 176.870 0.062 0.000 1.148 279 L CA 1.197 56.078 54.840 0.068 0.000 0.825 279 L CB -0.458 41.634 42.059 0.055 0.000 0.937 279 L HN 0.750 nan 8.230 nan 0.000 0.450 280 E N -0.475 119.739 120.200 0.024 0.000 2.447 280 E HA 0.197 4.548 4.350 0.001 0.000 0.195 280 E C 0.777 177.407 176.600 0.049 0.000 1.028 280 E CA 0.329 56.746 56.400 0.028 0.000 0.876 280 E CB 0.558 30.261 29.700 0.005 0.000 0.885 280 E HN 0.436 nan 8.360 nan 0.000 0.500 281 G N 0.272 109.108 108.800 0.060 0.000 2.345 281 G HA2 0.180 4.141 3.960 0.001 0.000 0.310 281 G HA3 0.180 4.141 3.960 0.001 0.000 0.310 281 G C -1.664 173.286 174.900 0.082 0.000 1.476 281 G CA -1.080 44.107 45.100 0.145 0.000 0.978 281 G HN -0.016 nan 8.290 nan 0.000 0.656 282 F N 0.469 120.419 119.950 -0.000 0.000 2.538 282 F HA 0.737 5.265 4.527 0.001 0.000 0.325 282 F C 1.227 177.001 175.800 -0.043 0.000 1.066 282 F CA 0.433 58.410 58.000 -0.038 0.000 0.946 282 F CB 2.105 41.067 39.000 -0.063 0.000 1.199 282 F HN 0.779 nan 8.300 nan 0.000 0.473 283 G N 0.360 109.204 108.800 0.073 0.000 2.553 283 G HA2 0.482 4.442 3.960 0.001 0.000 0.278 283 G HA3 0.482 4.442 3.960 0.001 0.000 0.278 283 G C -0.678 174.237 174.900 0.025 0.000 1.349 283 G CA -0.351 44.768 45.100 0.031 0.000 1.037 283 G HN 0.867 nan 8.290 nan 0.000 0.508 284 A N -1.117 121.716 122.820 0.021 0.000 2.386 284 A HA 0.555 4.875 4.320 0.001 0.000 0.248 284 A C -0.527 177.048 177.584 -0.015 0.000 1.082 284 A CA -0.299 51.775 52.037 0.061 0.000 0.789 284 A CB 0.029 19.070 19.000 0.069 0.000 1.025 284 A HN 0.382 nan 8.150 nan 0.000 0.490 285 F N 0.560 120.526 119.950 0.027 0.000 2.443 285 F HA 0.480 5.008 4.527 0.001 0.000 0.353 285 F C 0.871 176.672 175.800 0.002 0.000 1.101 285 F CA 1.058 59.061 58.000 0.005 0.000 1.226 285 F CB 1.224 40.217 39.000 -0.013 0.000 1.140 285 F HN 0.709 nan 8.300 nan 0.000 0.557 286 A N 4.430 127.337 122.820 0.144 0.000 2.515 286 A HA 0.764 5.084 4.320 0.001 0.000 0.298 286 A C -2.879 174.751 177.584 0.076 0.000 1.059 286 A CA -1.859 50.230 52.037 0.086 0.000 0.698 286 A CB 1.501 20.521 19.000 0.033 0.000 1.289 286 A HN 0.383 nan 8.150 nan 0.000 0.404 287 P HA 0.155 nan 4.420 nan 0.000 0.271 287 P C -1.069 176.214 177.300 -0.027 0.000 1.216 287 P CA 0.169 63.298 63.100 0.050 0.000 0.771 287 P CB 0.680 32.421 31.700 0.067 0.000 0.864 288 D N 2.571 122.968 120.400 -0.006 0.000 2.365 288 D HA 0.221 4.862 4.640 0.001 0.000 0.237 288 D C 1.231 177.449 176.300 -0.137 0.000 1.190 288 D CA -0.358 53.616 54.000 -0.043 0.000 0.867 288 D CB 0.792 41.591 40.800 -0.002 0.000 1.050 288 D HN 0.277 nan 8.370 nan 0.000 0.491 289 A N 3.211 125.861 122.820 -0.283 0.000 2.070 289 A HA -0.014 4.307 4.320 0.001 0.000 0.220 289 A C 1.947 179.422 177.584 -0.183 0.000 1.159 289 A CA 1.402 53.124 52.037 -0.525 0.000 0.656 289 A CB -0.298 18.475 19.000 -0.379 0.000 0.800 289 A HN 0.602 nan 8.150 nan 0.000 0.453 290 G N -1.109 107.663 108.800 -0.046 0.000 2.650 290 G HA2 0.276 4.236 3.960 0.001 0.000 0.214 290 G HA3 0.276 4.236 3.960 0.001 0.000 0.214 290 G C 0.523 175.465 174.900 0.070 0.000 1.136 290 G CA 0.179 45.302 45.100 0.037 0.000 0.789 290 G HN 0.400 nan 8.290 nan 0.000 0.536 291 L N 2.341 123.621 121.223 0.095 0.000 2.502 291 L HA 0.306 4.647 4.340 0.001 0.000 0.247 291 L C -2.335 174.664 176.870 0.215 0.000 1.180 291 L CA -1.940 52.947 54.840 0.079 0.000 0.956 291 L CB 1.744 43.737 42.059 -0.109 0.000 1.282 291 L HN -0.106 nan 8.230 nan 0.000 0.470 292 P HA 0.047 nan 4.420 nan 0.000 0.269 292 P C -0.954 176.329 177.300 -0.028 0.000 1.215 292 P CA 0.146 63.251 63.100 0.009 0.000 0.780 292 P CB 1.473 33.144 31.700 -0.048 0.000 0.898 293 D N 1.564 121.891 120.400 -0.121 0.000 2.803 293 D HA 0.156 4.796 4.640 0.001 0.000 0.218 293 D C -2.522 173.719 176.300 -0.099 0.000 1.245 293 D CA -1.752 52.214 54.000 -0.057 0.000 0.821 293 D CB 2.783 43.586 40.800 0.005 0.000 1.626 293 D HN 0.100 nan 8.370 nan 0.000 0.487 294 P HA 0.248 nan 4.420 nan 0.000 0.254 294 P C -0.199 177.076 177.300 -0.043 0.000 1.494 294 P CA 0.249 63.312 63.100 -0.063 0.000 0.961 294 P CB 0.041 31.715 31.700 -0.043 0.000 1.493 295 A N -1.505 121.289 122.820 -0.042 0.000 2.514 295 A HA -0.122 4.198 4.320 0.001 0.000 0.290 295 A C 0.022 177.600 177.584 -0.009 0.000 1.435 295 A CA 0.420 52.441 52.037 -0.027 0.000 0.728 295 A CB -2.482 16.503 19.000 -0.025 0.000 1.128 295 A HN 0.516 nan 8.150 nan 0.000 0.394 296 C N 1.748 121.027 119.300 -0.035 0.000 3.171 296 C HA 0.722 5.183 4.460 0.001 0.000 0.308 296 C C 0.342 175.193 174.990 -0.232 0.000 1.334 296 C CA -0.144 58.833 59.018 -0.068 0.000 1.473 296 C CB 1.757 29.488 27.740 -0.016 0.000 1.866 296 C HN 1.174 nan 8.230 nan 0.000 0.465 297 Q N 1.531 120.954 119.800 -0.628 0.000 2.454 297 Q HA 0.500 4.841 4.340 0.001 0.000 0.247 297 Q C 0.020 175.778 176.000 -0.403 0.000 1.028 297 Q CA 0.813 56.202 55.803 -0.690 0.000 0.910 297 Q CB 1.224 29.092 28.738 -1.450 0.000 1.276 297 Q HN 1.060 nan 8.270 nan 0.000 0.489 298 G N 0.612 109.261 108.800 -0.251 0.000 2.866 298 G HA2 0.606 4.567 3.960 0.001 0.000 0.289 298 G HA3 0.606 4.567 3.960 0.001 0.000 0.289 298 G C -1.494 173.282 174.900 -0.207 0.000 1.396 298 G CA -0.165 44.782 45.100 -0.255 0.000 0.848 298 G HN 0.745 nan 8.290 nan 0.000 0.515 299 S N -2.162 113.341 115.700 -0.328 0.000 2.595 299 S HA 0.811 5.281 4.470 0.001 0.000 0.281 299 S C -1.445 173.073 174.600 -0.137 0.000 1.117 299 S CA -0.870 57.244 58.200 -0.143 0.000 0.873 299 S CB 1.956 65.116 63.200 -0.066 0.000 1.108 299 S HN 1.468 nan 8.310 nan 0.000 0.477 300 V N 1.579 121.557 119.914 0.107 0.000 2.841 300 V HA 0.844 4.964 4.120 0.001 0.000 0.310 300 V C -1.964 174.261 176.094 0.219 0.000 1.090 300 V CA -0.795 61.659 62.300 0.257 0.000 0.930 300 V CB 1.895 33.990 31.823 0.453 0.000 1.014 300 V HN 1.046 nan 8.190 nan 0.000 0.425 301 L N 5.648 127.013 121.223 0.237 0.000 2.436 301 L HA 0.645 4.986 4.340 0.001 0.000 0.268 301 L C -0.360 176.642 176.870 0.220 0.000 0.974 301 L CA -0.380 54.589 54.840 0.214 0.000 0.826 301 L CB 1.845 44.033 42.059 0.216 0.000 1.291 301 L HN 0.783 nan 8.230 nan 0.000 0.406 302 R N 3.204 123.811 120.500 0.178 0.000 2.242 302 R HA 0.093 4.434 4.340 0.001 0.000 0.334 302 R C -0.376 176.022 176.300 0.163 0.000 1.071 302 R CA 0.145 56.337 56.100 0.152 0.000 0.922 302 R CB 0.368 30.735 30.300 0.111 0.000 1.023 302 R HN 0.833 nan 8.270 nan 0.000 0.458 303 Y N 4.767 125.112 120.300 0.074 0.000 2.262 303 Y HA 0.072 4.622 4.550 0.001 0.000 0.295 303 Y C 0.042 175.988 175.900 0.077 0.000 1.121 303 Y CA 1.183 59.331 58.100 0.079 0.000 1.144 303 Y CB 0.540 39.049 38.460 0.083 0.000 1.043 303 Y HN 0.740 nan 8.280 nan 0.000 0.528 304 N N -1.600 117.209 118.700 0.181 0.000 3.171 304 N HA 0.044 4.785 4.740 0.001 0.000 0.239 304 N C -0.700 174.878 175.510 0.114 0.000 1.275 304 N CA 0.300 53.422 53.050 0.119 0.000 0.920 304 N CB 0.925 39.532 38.487 0.200 0.000 1.554 304 N HN 0.063 nan 8.380 nan 0.000 0.504 305 S N -1.064 114.684 115.700 0.079 0.000 2.526 305 S HA 0.104 4.575 4.470 0.001 0.000 0.220 305 S C 0.170 174.808 174.600 0.063 0.000 1.017 305 S CA 0.065 58.303 58.200 0.064 0.000 0.930 305 S CB 0.174 63.402 63.200 0.046 0.000 0.856 305 S HN 0.597 nan 8.310 nan 0.000 0.497 306 D N 2.538 122.980 120.400 0.070 0.000 2.329 306 D HA 0.565 5.206 4.640 0.001 0.000 0.246 306 D C 0.142 176.487 176.300 0.076 0.000 1.111 306 D CA -0.123 53.914 54.000 0.063 0.000 0.941 306 D CB 1.353 42.187 40.800 0.057 0.000 1.169 306 D HN 0.369 nan 8.370 nan 0.000 0.441 307 A N 3.161 126.017 122.820 0.060 0.000 2.566 307 A HA 0.287 4.608 4.320 0.001 0.000 0.245 307 A C -2.018 175.612 177.584 0.076 0.000 1.056 307 A CA -0.655 51.419 52.037 0.061 0.000 0.757 307 A CB -0.417 18.604 19.000 0.035 0.000 0.979 307 A HN 0.428 nan 8.150 nan 0.000 0.508 308 P HA 0.460 nan 4.420 nan 0.000 0.297 308 P C -0.233 177.185 177.300 0.197 0.000 1.331 308 P CA -0.156 63.028 63.100 0.140 0.000 0.803 308 P CB 1.218 33.005 31.700 0.145 0.000 0.929 309 A N 5.347 128.259 122.820 0.153 0.000 2.531 309 A HA 0.265 4.586 4.320 0.001 0.000 0.236 309 A C 0.307 177.956 177.584 0.108 0.000 1.062 309 A CA 0.119 52.230 52.037 0.124 0.000 0.760 309 A CB -0.076 18.968 19.000 0.073 0.000 0.995 309 A HN 0.556 nan 8.150 nan 0.000 0.501 310 R N 0.888 121.434 120.500 0.077 0.000 2.621 310 R HA 0.575 4.915 4.340 0.001 0.000 0.284 310 R C -1.302 175.006 176.300 0.012 0.000 0.998 310 R CA -0.533 55.539 56.100 -0.046 0.000 0.895 310 R CB 2.454 32.717 30.300 -0.063 0.000 1.195 310 R HN 0.681 nan 8.270 nan 0.000 0.450 311 T N 3.482 117.985 114.554 -0.085 0.000 2.829 311 T HA 0.519 4.870 4.350 0.001 0.000 0.280 311 T C -0.142 174.682 174.700 0.207 0.000 0.999 311 T CA -0.665 61.465 62.100 0.051 0.000 0.983 311 T CB 1.126 69.960 68.868 -0.058 0.000 0.968 311 T HN 0.248 nan 8.240 nan 0.000 0.446 312 I N 2.795 123.560 120.570 0.324 0.000 2.493 312 I HA 0.601 4.771 4.170 0.001 0.000 0.298 312 I C -0.710 175.656 176.117 0.416 0.000 0.998 312 I CA -1.030 60.488 61.300 0.363 0.000 1.137 312 I CB 1.464 39.619 38.000 0.258 0.000 1.310 312 I HN 0.605 nan 8.210 nan 0.000 0.445 313 F N 6.362 126.368 119.950 0.094 0.000 2.569 313 F HA 0.673 5.201 4.527 0.001 0.000 0.312 313 F C -1.703 174.034 175.800 -0.104 0.000 1.109 313 F CA -0.903 56.992 58.000 -0.175 0.000 0.919 313 F CB 1.813 40.294 39.000 -0.865 0.000 1.211 313 F HN 0.289 nan 8.300 nan 0.000 0.446 314 L N 7.527 128.216 121.223 -0.891 0.000 2.409 314 L HA 0.595 4.936 4.340 0.001 0.000 0.272 314 L C -1.391 174.988 176.870 -0.817 0.000 0.980 314 L CA -0.172 54.314 54.840 -0.590 0.000 0.826 314 L CB 1.406 43.325 42.059 -0.233 0.000 1.268 314 L HN 0.831 nan 8.230 nan 0.000 0.407 315 N N 1.673 120.100 118.700 -0.455 0.000 3.277 315 N HA 0.263 5.003 4.740 0.001 0.000 0.278 315 N C -1.699 173.746 175.510 -0.109 0.000 1.544 315 N CA -0.610 52.282 53.050 -0.263 0.000 0.869 315 N CB 1.390 39.780 38.487 -0.163 0.000 1.584 315 N HN 0.361 nan 8.380 nan 0.000 0.564 316 S N -0.609 115.053 115.700 -0.063 0.000 2.416 316 S HA 0.553 5.023 4.470 0.001 0.000 0.287 316 S C 0.074 174.655 174.600 -0.031 0.000 1.139 316 S CA -0.362 57.813 58.200 -0.042 0.000 1.058 316 S CB -0.767 62.414 63.200 -0.031 0.000 0.967 316 S HN 0.739 nan 8.310 nan 0.000 0.495 317 A N 4.632 127.426 122.820 -0.043 0.000 3.051 317 A HA 0.507 4.828 4.320 0.001 0.000 0.257 317 A C 0.463 178.016 177.584 -0.051 0.000 1.785 317 A CA -0.244 51.764 52.037 -0.048 0.000 1.420 317 A CB -0.649 18.287 19.000 -0.107 0.000 1.063 317 A HN 0.677 nan 8.150 nan 0.000 0.630 318 S N -0.745 114.923 115.700 -0.053 0.000 2.537 318 S HA 0.531 5.001 4.470 0.001 0.000 0.271 318 S C 0.879 175.420 174.600 -0.099 0.000 1.148 318 S CA 0.178 58.340 58.200 -0.065 0.000 0.868 318 S CB 1.127 64.295 63.200 -0.053 0.000 1.115 318 S HN 0.783 nan 8.310 nan 0.000 0.461 319 G N 1.051 109.774 108.800 -0.129 0.000 2.813 319 G HA2 0.112 4.072 3.960 0.001 0.000 0.209 319 G HA3 0.112 4.072 3.960 0.001 0.000 0.209 319 G C 1.026 175.859 174.900 -0.112 0.000 1.150 319 G CA 1.115 46.111 45.100 -0.174 0.000 0.785 319 G HN 0.969 nan 8.290 nan 0.000 0.535 320 T N -4.269 110.238 114.554 -0.078 0.000 2.989 320 T HA 0.347 4.698 4.350 0.001 0.000 0.250 320 T C 0.870 175.542 174.700 -0.047 0.000 0.981 320 T CA 0.598 62.664 62.100 -0.057 0.000 0.980 320 T CB 0.625 69.464 68.868 -0.048 0.000 1.133 320 T HN 0.141 nan 8.240 nan 0.000 0.489 321 S N -0.001 115.669 115.700 -0.050 0.000 2.536 321 S HA 0.550 5.020 4.470 0.001 0.000 0.298 321 S C 0.185 174.762 174.600 -0.039 0.000 1.083 321 S CA -0.873 57.298 58.200 -0.049 0.000 0.995 321 S CB 1.743 64.905 63.200 -0.063 0.000 1.058 321 S HN 0.309 nan 8.310 nan 0.000 0.488 322 R N 1.684 122.166 120.500 -0.029 0.000 2.310 322 R HA 0.235 4.576 4.340 0.001 0.000 0.202 322 R C 0.804 177.093 176.300 -0.019 0.000 0.933 322 R CA 0.225 56.319 56.100 -0.009 0.000 1.054 322 R CB 0.108 30.425 30.300 0.028 0.000 0.985 322 R HN 0.478 nan 8.270 nan 0.000 0.489 323 R N 0.210 120.684 120.500 -0.042 0.000 2.702 323 R HA 0.233 4.573 4.340 0.001 0.000 0.314 323 R C 0.048 176.328 176.300 -0.035 0.000 1.152 323 R CA -0.073 56.001 56.100 -0.043 0.000 1.097 323 R CB 1.130 31.381 30.300 -0.081 0.000 1.343 323 R HN -0.005 nan 8.270 nan 0.000 0.575 324 A N 0.869 123.669 122.820 -0.032 0.000 2.855 324 A HA 0.282 4.603 4.320 0.001 0.000 0.301 324 A C 0.062 177.624 177.584 -0.037 0.000 1.076 324 A CA -0.562 51.456 52.037 -0.032 0.000 1.004 324 A CB 0.235 19.212 19.000 -0.038 0.000 1.152 324 A HN 0.088 nan 8.150 nan 0.000 0.531 325 M N 0.536 120.119 119.600 -0.029 0.000 2.260 325 M HA 0.198 4.679 4.480 0.001 0.000 0.348 325 M C 0.328 176.602 176.300 -0.043 0.000 1.342 325 M CA 0.784 56.062 55.300 -0.037 0.000 1.040 325 M CB -0.361 32.226 32.600 -0.022 0.000 1.810 325 M HN 0.500 nan 8.290 nan 0.000 0.453 326 R N 1.961 122.422 120.500 -0.065 0.000 2.512 326 R HA 0.549 4.890 4.340 0.001 0.000 0.291 326 R C -1.959 174.302 176.300 -0.065 0.000 1.097 326 R CA -0.426 55.630 56.100 -0.074 0.000 0.940 326 R CB 1.464 31.689 30.300 -0.126 0.000 1.198 326 R HN 0.570 nan 8.270 nan 0.000 0.429 327 V N 5.394 125.281 119.914 -0.045 0.000 2.509 327 V HA 0.642 4.763 4.120 0.001 0.000 0.284 327 V C -0.543 175.581 176.094 0.050 0.000 1.047 327 V CA -0.166 62.133 62.300 -0.001 0.000 0.952 327 V CB 1.077 32.898 31.823 -0.004 0.000 0.988 327 V HN 0.806 nan 8.190 nan 0.000 0.469 328 R N 5.292 125.867 120.500 0.125 0.000 2.837 328 R HA 0.686 5.026 4.340 0.001 0.000 0.271 328 R C -1.482 175.018 176.300 0.332 0.000 0.993 328 R CA -0.851 55.379 56.100 0.216 0.000 0.931 328 R CB 2.387 32.845 30.300 0.262 0.000 1.206 328 R HN 0.590 nan 8.270 nan 0.000 0.474 329 I N 0.262 120.979 120.570 0.246 0.000 2.474 329 I HA 0.303 4.474 4.170 0.001 0.000 0.294 329 I C -0.308 175.680 176.117 -0.216 0.000 1.005 329 I CA -0.471 60.831 61.300 0.003 0.000 1.113 329 I CB 2.231 40.068 38.000 -0.271 0.000 1.289 329 I HN 0.429 nan 8.210 nan 0.000 0.436 330 S N 3.850 119.178 115.700 -0.621 0.000 2.503 330 S HA 0.490 4.960 4.470 0.001 0.000 0.301 330 S C -0.297 173.896 174.600 -0.679 0.000 1.087 330 S CA -0.305 57.377 58.200 -0.864 0.000 1.042 330 S CB 0.705 62.955 63.200 -1.583 0.000 1.043 330 S HN 0.479 nan 8.310 nan 0.000 0.489 331 Y N 1.053 121.219 120.300 -0.223 0.000 2.467 331 Y HA 0.337 4.888 4.550 0.001 0.000 0.250 331 Y C 0.370 176.192 175.900 -0.130 0.000 1.155 331 Y CA -0.659 57.363 58.100 -0.130 0.000 1.249 331 Y CB 0.299 38.712 38.460 -0.079 0.000 1.146 331 Y HN 0.489 nan 8.280 nan 0.000 0.524 332 D N 0.345 120.700 120.400 -0.075 0.000 2.389 332 D HA 0.163 4.803 4.640 0.001 0.000 0.247 332 D C 1.186 177.429 176.300 -0.095 0.000 1.128 332 D CA 0.324 54.276 54.000 -0.081 0.000 0.884 332 D CB 1.778 42.506 40.800 -0.120 0.000 1.194 332 D HN 0.246 nan 8.370 nan 0.000 0.441 333 A N 2.584 125.373 122.820 -0.051 0.000 2.070 333 A HA -0.176 4.145 4.320 0.001 0.000 0.220 333 A C 1.104 178.653 177.584 -0.059 0.000 1.159 333 A CA 1.325 53.336 52.037 -0.043 0.000 0.656 333 A CB -0.072 18.916 19.000 -0.021 0.000 0.800 333 A HN 0.577 nan 8.150 nan 0.000 0.453 334 D N -2.679 117.678 120.400 -0.070 0.000 2.501 334 D HA 0.402 5.042 4.640 0.001 0.000 0.224 334 D C 0.530 176.765 176.300 -0.108 0.000 1.202 334 D CA 0.331 54.299 54.000 -0.054 0.000 0.829 334 D CB -0.622 40.173 40.800 -0.008 0.000 1.023 334 D HN 0.811 nan 8.370 nan 0.000 0.499 335 A N 0.918 123.595 122.820 -0.238 0.000 2.704 335 A HA -0.356 3.964 4.320 0.001 0.000 0.299 335 A C 1.508 178.984 177.584 -0.180 0.000 1.507 335 A CA 1.492 53.283 52.037 -0.410 0.000 0.776 335 A CB -2.513 16.069 19.000 -0.696 0.000 1.027 335 A HN 0.427 nan 8.150 nan 0.000 0.475 336 K N -0.407 119.938 120.400 -0.092 0.000 2.026 336 K HA -0.048 4.272 4.320 0.001 0.000 0.208 336 K C 0.901 177.513 176.600 0.020 0.000 1.048 336 K CA 1.814 58.105 56.287 0.007 0.000 0.929 336 K CB -0.022 32.477 32.500 -0.003 0.000 0.713 336 K HN 0.617 nan 8.250 nan 0.000 0.439 337 K N -0.098 120.267 120.400 -0.058 0.000 2.397 337 K HA 0.244 4.564 4.320 0.001 0.000 0.253 337 K C -1.482 175.050 176.600 -0.113 0.000 0.932 337 K CA -0.702 55.586 56.287 0.001 0.000 0.795 337 K CB 1.005 33.516 32.500 0.018 0.000 1.159 337 K HN -0.154 nan 8.250 nan 0.000 0.424 338 F N 2.795 122.737 119.950 -0.013 0.000 2.425 338 F HA 0.245 4.772 4.527 0.001 0.000 0.331 338 F C 1.028 176.848 175.800 0.034 0.000 1.085 338 F CA -0.559 57.438 58.000 -0.006 0.000 1.028 338 F CB 0.923 39.916 39.000 -0.012 0.000 1.177 338 F HN 0.625 nan 8.300 nan 0.000 0.487 339 N N 1.810 120.637 118.700 0.212 0.000 2.260 339 N HA -0.177 4.563 4.740 0.001 0.000 0.230 339 N C 0.819 176.459 175.510 0.217 0.000 1.323 339 N CA -0.046 53.124 53.050 0.201 0.000 0.897 339 N CB -0.085 38.517 38.487 0.193 0.000 1.146 339 N HN 0.728 nan 8.380 nan 0.000 0.460 340 Y N 0.287 120.637 120.300 0.084 0.000 2.165 340 Y HA -0.016 4.535 4.550 0.001 0.000 0.286 340 Y C 1.615 177.543 175.900 0.046 0.000 1.155 340 Y CA 2.257 60.392 58.100 0.057 0.000 1.164 340 Y CB -0.721 37.753 38.460 0.023 0.000 0.978 340 Y HN 0.954 nan 8.280 nan 0.000 0.513 341 G N 0.429 109.389 108.800 0.267 0.000 2.553 341 G HA2 -0.319 3.641 3.960 0.001 0.000 0.242 341 G HA3 -0.319 3.641 3.960 0.001 0.000 0.242 341 G C -0.599 174.385 174.900 0.140 0.000 1.277 341 G CA 0.086 45.270 45.100 0.140 0.000 0.910 341 G HN 0.600 nan 8.290 nan 0.000 0.576 342 R N 0.152 120.647 120.500 -0.008 0.000 2.621 342 R HA 0.480 4.821 4.340 0.001 0.000 0.284 342 R C -0.200 176.069 176.300 -0.051 0.000 0.998 342 R CA -0.857 55.174 56.100 -0.115 0.000 0.895 342 R CB 1.089 31.069 30.300 -0.534 0.000 1.195 342 R HN 0.541 nan 8.270 nan 0.000 0.450 343 K N 4.370 124.770 120.400 -0.001 0.000 2.379 343 K HA 0.086 4.406 4.320 0.001 0.000 0.284 343 K C 1.076 177.722 176.600 0.077 0.000 1.044 343 K CA -0.089 56.213 56.287 0.024 0.000 0.974 343 K CB 0.827 33.353 32.500 0.043 0.000 0.962 343 K HN 0.546 nan 8.250 nan 0.000 0.474 344 L N 2.031 123.295 121.223 0.069 0.000 2.191 344 L HA -0.188 4.153 4.340 0.001 0.000 0.212 344 L C 2.018 178.929 176.870 0.068 0.000 1.103 344 L CA 1.064 55.953 54.840 0.082 0.000 0.769 344 L CB -0.341 41.717 42.059 -0.001 0.000 0.908 344 L HN 0.686 nan 8.230 nan 0.000 0.438 345 E N 0.597 120.824 120.200 0.046 0.000 2.333 345 E HA -0.206 4.145 4.350 0.001 0.000 0.198 345 E C 1.401 178.025 176.600 0.040 0.000 1.007 345 E CA 0.797 57.216 56.400 0.032 0.000 0.845 345 E CB -0.050 29.662 29.700 0.021 0.000 0.766 345 E HN 0.340 nan 8.360 nan 0.000 0.507 346 D N -0.415 120.027 120.400 0.069 0.000 2.263 346 D HA -0.074 4.567 4.640 0.001 0.000 0.208 346 D C 0.059 176.402 176.300 0.071 0.000 0.971 346 D CA 1.272 55.309 54.000 0.063 0.000 0.867 346 D CB 0.101 40.915 40.800 0.023 0.000 0.929 346 D HN 0.207 nan 8.370 nan 0.000 0.492 347 A N 0.860 123.714 122.820 0.056 0.000 3.297 347 A HA 0.223 4.543 4.320 0.001 0.000 0.304 347 A C 0.124 177.692 177.584 -0.026 0.000 0.963 347 A CA -0.785 51.193 52.037 -0.098 0.000 0.935 347 A CB -0.094 18.646 19.000 -0.434 0.000 1.093 347 A HN 0.051 nan 8.150 nan 0.000 0.480 348 K N 0.157 120.562 120.400 0.008 0.000 2.258 348 K HA 0.527 4.847 4.320 0.001 0.000 0.264 348 K C -0.554 176.054 176.600 0.014 0.000 1.007 348 K CA -0.362 55.929 56.287 0.006 0.000 0.941 348 K CB 0.913 33.418 32.500 0.008 0.000 0.966 348 K HN 0.026 nan 8.250 nan 0.000 0.480 349 V N 1.925 121.838 119.914 -0.001 0.000 2.539 349 V HA 0.174 4.295 4.120 0.001 0.000 0.292 349 V C -0.205 175.883 176.094 -0.010 0.000 1.045 349 V CA -0.699 61.606 62.300 0.008 0.000 0.945 349 V CB 1.632 33.457 31.823 0.002 0.000 0.993 349 V HN 0.885 nan 8.190 nan 0.000 0.464 350 S N 2.024 117.729 115.700 0.007 0.000 2.509 350 S HA 0.658 5.129 4.470 0.001 0.000 0.297 350 S C 0.907 175.509 174.600 0.002 0.000 1.118 350 S CA 0.296 58.493 58.200 -0.005 0.000 1.074 350 S CB 1.433 64.641 63.200 0.014 0.000 1.038 350 S HN 1.516 nan 8.310 nan 0.000 0.498 351 G N 1.065 109.857 108.800 -0.012 0.000 2.143 351 G HA2 -0.190 3.770 3.960 0.001 0.000 0.249 351 G HA3 -0.190 3.770 3.960 0.001 0.000 0.249 351 G C 0.428 175.367 174.900 0.066 0.000 0.981 351 G CA 0.207 45.336 45.100 0.048 0.000 0.665 351 G HN 1.112 nan 8.290 nan 0.000 0.528 352 A N -0.513 122.235 122.820 -0.121 0.000 2.538 352 A HA 0.744 5.064 4.320 0.001 0.000 0.269 352 A C 1.883 178.929 177.584 -0.896 0.000 1.231 352 A CA 1.367 53.247 52.037 -0.262 0.000 0.948 352 A CB -0.056 18.891 19.000 -0.088 0.000 1.110 352 A HN 2.536 nan 8.150 nan 0.000 0.529 353 G N -0.302 107.870 108.800 -1.047 0.000 2.615 353 G HA2 -0.134 3.826 3.960 0.001 0.000 0.218 353 G HA3 -0.134 3.826 3.960 0.001 0.000 0.218 353 G C -0.641 173.890 174.900 -0.615 0.000 1.339 353 G CA -0.440 44.012 45.100 -1.081 0.000 0.884 353 G HN 0.579 nan 8.290 nan 0.000 0.559 354 H N 1.444 120.382 119.070 -0.220 0.000 2.761 354 H HA 0.390 4.947 4.556 0.001 0.000 0.284 354 H C 0.717 175.981 175.328 -0.108 0.000 1.105 354 H CA 0.078 56.046 56.048 -0.133 0.000 1.352 354 H CB 0.954 30.639 29.762 -0.129 0.000 1.423 354 H HN 0.659 nan 8.280 nan 0.000 0.464 355 E N 2.359 122.554 120.200 -0.008 0.000 2.384 355 E HA 0.344 4.695 4.350 0.001 0.000 0.266 355 E C -0.028 176.579 176.600 0.012 0.000 1.012 355 E CA -0.163 56.232 56.400 -0.008 0.000 0.901 355 E CB 0.523 30.212 29.700 -0.018 0.000 0.967 355 E HN 0.958 nan 8.360 nan 0.000 0.435 356 G N 1.549 110.361 108.800 0.021 0.000 2.397 356 G HA2 0.427 4.388 3.960 0.001 0.000 0.453 356 G HA3 0.427 4.388 3.960 0.001 0.000 0.453 356 G C -0.245 174.688 174.900 0.056 0.000 1.579 356 G CA -0.318 44.797 45.100 0.025 0.000 0.906 356 G HN 0.987 nan 8.290 nan 0.000 0.675 357 G N 0.130 108.976 108.800 0.076 0.000 2.366 357 G HA2 0.477 4.438 3.960 0.001 0.000 0.190 357 G HA3 0.477 4.438 3.960 0.001 0.000 0.190 357 G C -0.639 174.384 174.900 0.205 0.000 1.299 357 G CA -0.152 45.045 45.100 0.161 0.000 1.056 357 G HN 1.389 nan 8.290 nan 0.000 0.468 358 Y N 1.565 121.867 120.300 0.003 0.000 2.652 358 Y HA 0.458 5.009 4.550 0.001 0.000 0.344 358 Y C 1.365 177.265 175.900 -0.000 0.000 1.254 358 Y CA 0.303 58.404 58.100 0.001 0.000 1.480 358 Y CB 0.935 39.402 38.460 0.012 0.000 1.345 358 Y HN 0.993 nan 8.280 nan 0.000 0.617 359 S N -0.125 115.637 115.700 0.104 0.000 2.607 359 S HA 0.791 5.262 4.470 0.001 0.000 0.273 359 S C -0.947 173.692 174.600 0.066 0.000 1.148 359 S CA -0.854 57.385 58.200 0.065 0.000 0.833 359 S CB 2.152 65.349 63.200 -0.005 0.000 1.130 359 S HN 0.586 nan 8.310 nan 0.000 0.470 360 S N 0.488 116.245 115.700 0.095 0.000 2.543 360 S HA 0.700 5.171 4.470 0.001 0.000 0.271 360 S C -1.434 173.248 174.600 0.137 0.000 1.148 360 S CA -0.697 57.575 58.200 0.120 0.000 0.914 360 S CB 0.972 64.271 63.200 0.165 0.000 1.096 360 S HN 0.771 nan 8.310 nan 0.000 0.471 361 M N 2.491 122.169 119.600 0.130 0.000 2.535 361 M HA 0.544 5.025 4.480 0.001 0.000 0.314 361 M C -0.336 176.060 176.300 0.160 0.000 1.153 361 M CA -0.607 54.770 55.300 0.129 0.000 0.924 361 M CB 2.397 35.061 32.600 0.107 0.000 1.710 361 M HN 0.638 nan 8.290 nan 0.000 0.451 362 T N 0.615 115.264 114.554 0.159 0.000 2.883 362 T HA 0.515 4.865 4.350 0.001 0.000 0.296 362 T C -1.247 173.519 174.700 0.110 0.000 1.117 362 T CA -0.831 61.364 62.100 0.158 0.000 1.006 362 T CB 1.624 70.621 68.868 0.215 0.000 1.191 362 T HN 0.627 nan 8.240 nan 0.000 0.508 363 K N 2.089 122.532 120.400 0.073 0.000 2.174 363 K HA 0.492 4.813 4.320 0.001 0.000 0.275 363 K C 0.487 177.092 176.600 0.009 0.000 1.015 363 K CA -0.655 55.641 56.287 0.015 0.000 0.933 363 K CB 1.190 33.625 32.500 -0.109 0.000 1.025 363 K HN 0.780 nan 8.250 nan 0.000 0.463 364 T N -1.815 112.731 114.554 -0.012 0.000 2.881 364 T HA 0.231 4.582 4.350 0.001 0.000 0.278 364 T C 1.265 175.874 174.700 -0.151 0.000 0.982 364 T CA -0.690 61.395 62.100 -0.023 0.000 0.989 364 T CB 1.438 70.311 68.868 0.009 0.000 1.058 364 T HN 0.606 nan 8.240 nan 0.000 0.529 365 G N 0.048 108.753 108.800 -0.157 0.000 2.744 365 G HA2 0.041 4.001 3.960 0.001 0.000 0.211 365 G HA3 0.041 4.001 3.960 0.001 0.000 0.211 365 G C 0.631 175.311 174.900 -0.366 0.000 1.143 365 G CA 0.349 45.294 45.100 -0.257 0.000 0.788 365 G HN 0.917 nan 8.290 nan 0.000 0.534 366 D N -1.109 119.142 120.400 -0.250 0.000 2.755 366 D HA 0.092 4.732 4.640 0.001 0.000 0.257 366 D C -0.237 176.047 176.300 -0.028 0.000 1.291 366 D CA -1.487 52.429 54.000 -0.140 0.000 0.836 366 D CB -0.907 39.858 40.800 -0.058 0.000 1.059 366 D HN 0.328 nan 8.370 nan 0.000 0.486 367 Y N -0.542 119.754 120.300 -0.008 0.000 3.389 367 Y HA -0.302 4.249 4.550 0.001 0.000 0.213 367 Y C 0.288 176.232 175.900 0.074 0.000 1.272 367 Y CA 0.441 58.571 58.100 0.049 0.000 1.444 367 Y CB -1.748 36.749 38.460 0.062 0.000 1.445 367 Y HN 0.142 nan 8.280 nan 0.000 0.583 368 K N 0.280 120.725 120.400 0.076 0.000 2.306 368 K HA 0.729 5.049 4.320 0.001 0.000 0.236 368 K C 0.127 176.747 176.600 0.033 0.000 1.013 368 K CA -1.037 55.274 56.287 0.039 0.000 0.857 368 K CB 1.880 34.329 32.500 -0.086 0.000 1.214 368 K HN 0.133 nan 8.250 nan 0.000 0.449 369 I N 0.725 121.216 120.570 -0.132 0.000 2.359 369 I HA 0.294 4.464 4.170 0.001 0.000 0.294 369 I C 0.530 176.274 176.117 -0.622 0.000 0.987 369 I CA -0.588 60.545 61.300 -0.278 0.000 1.225 369 I CB 1.762 39.579 38.000 -0.306 0.000 1.366 369 I HN 0.541 nan 8.210 nan 0.000 0.466 370 G N 4.672 113.238 108.800 -0.389 0.000 2.368 370 G HA2 0.712 4.672 3.960 0.001 0.000 0.320 370 G HA3 0.712 4.672 3.960 0.001 0.000 0.320 370 G C -0.958 173.705 174.900 -0.395 0.000 1.158 370 G CA -0.377 44.346 45.100 -0.628 0.000 0.912 370 G HN 0.743 nan 8.290 nan 0.000 0.456 371 A N 2.828 125.315 122.820 -0.555 0.000 2.371 371 A HA 0.769 5.090 4.320 0.001 0.000 0.311 371 A C -0.498 177.104 177.584 0.029 0.000 1.068 371 A CA -0.583 51.384 52.037 -0.116 0.000 0.744 371 A CB 1.221 20.219 19.000 -0.004 0.000 1.239 371 A HN 0.673 nan 8.150 nan 0.000 0.435 372 L N 2.242 123.589 121.223 0.206 0.000 2.307 372 L HA 0.677 5.018 4.340 0.001 0.000 0.282 372 L C -0.812 176.132 176.870 0.124 0.000 1.051 372 L CA -0.767 54.203 54.840 0.216 0.000 0.804 372 L CB 1.646 43.851 42.059 0.243 0.000 1.197 372 L HN 0.445 nan 8.230 nan 0.000 0.431 373 V N 2.128 122.101 119.914 0.097 0.000 2.733 373 V HA 0.244 4.365 4.120 0.001 0.000 0.306 373 V C -0.247 175.891 176.094 0.073 0.000 1.084 373 V CA -0.970 61.374 62.300 0.074 0.000 0.905 373 V CB 1.955 33.806 31.823 0.045 0.000 1.010 373 V HN 0.703 nan 8.190 nan 0.000 0.424 374 E N 1.481 121.731 120.200 0.084 0.000 2.418 374 E HA 0.426 4.776 4.350 0.001 0.000 0.261 374 E C -0.184 176.449 176.600 0.056 0.000 1.070 374 E CA 0.105 56.550 56.400 0.075 0.000 0.931 374 E CB 1.008 30.755 29.700 0.077 0.000 0.954 374 E HN 0.601 nan 8.360 nan 0.000 0.439 375 S N 0.722 116.455 115.700 0.054 0.000 2.546 375 S HA 0.268 4.738 4.470 0.001 0.000 0.274 375 S C -1.905 172.718 174.600 0.038 0.000 1.121 375 S CA -0.845 57.360 58.200 0.008 0.000 0.887 375 S CB 1.581 64.740 63.200 -0.069 0.000 1.094 375 S HN 0.479 nan 8.310 nan 0.000 0.474 376 D N 2.294 122.716 120.400 0.038 0.000 2.620 376 D HA 0.375 5.016 4.640 0.001 0.000 0.252 376 D C 0.177 176.598 176.300 0.202 0.000 1.207 376 D CA -0.600 53.505 54.000 0.175 0.000 0.884 376 D CB 0.557 41.495 40.800 0.231 0.000 1.262 376 D HN 0.389 nan 8.370 nan 0.000 0.552 377 F N 2.569 122.675 119.950 0.260 0.000 2.269 377 F HA 0.038 4.565 4.527 0.001 0.000 0.301 377 F C 1.491 177.544 175.800 0.422 0.000 1.082 377 F CA 0.514 58.668 58.000 0.257 0.000 1.360 377 F CB -0.256 38.879 39.000 0.225 0.000 1.041 377 F HN 0.478 nan 8.300 nan 0.000 0.512 378 F N 1.162 121.323 119.950 0.351 0.000 3.034 378 F HA -0.373 4.155 4.527 0.001 0.000 0.286 378 F C 1.515 177.440 175.800 0.210 0.000 0.804 378 F CA 0.528 58.670 58.000 0.237 0.000 1.161 378 F CB -1.669 37.459 39.000 0.213 0.000 1.317 378 F HN 0.286 nan 8.300 nan 0.000 0.453 379 N N 0.288 119.140 118.700 0.253 0.000 2.381 379 N HA -0.144 4.597 4.740 0.001 0.000 0.182 379 N C 1.162 176.680 175.510 0.014 0.000 1.025 379 N CA 1.545 54.695 53.050 0.166 0.000 0.888 379 N CB -0.173 38.454 38.487 0.234 0.000 0.965 379 N HN 0.591 nan 8.380 nan 0.000 0.438 380 D N -0.227 120.119 120.400 -0.090 0.000 2.593 380 D HA 0.257 4.897 4.640 0.001 0.000 0.241 380 D C 1.045 177.142 176.300 -0.338 0.000 1.257 380 D CA 0.242 54.147 54.000 -0.159 0.000 0.828 380 D CB 0.130 40.860 40.800 -0.117 0.000 1.049 380 D HN 0.357 nan 8.370 nan 0.000 0.490 381 G N 0.715 109.112 108.800 -0.671 0.000 2.634 381 G HA2 -0.421 3.540 3.960 0.001 0.000 0.309 381 G HA3 -0.421 3.540 3.960 0.001 0.000 0.309 381 G C 1.239 175.562 174.900 -0.962 0.000 1.265 381 G CA 1.262 45.548 45.100 -1.357 0.000 0.998 381 G HN 0.551 nan 8.290 nan 0.000 0.551 382 T N 0.076 114.361 114.554 -0.449 0.000 3.160 382 T HA 0.447 4.798 4.350 0.001 0.000 0.257 382 T C 1.396 176.028 174.700 -0.112 0.000 1.147 382 T CA 1.244 63.269 62.100 -0.126 0.000 1.064 382 T CB -0.294 68.571 68.868 -0.004 0.000 0.949 382 T HN 1.696 nan 8.240 nan 0.000 0.526 383 G N 1.496 110.197 108.800 -0.164 0.000 2.599 383 G HA2 0.353 4.314 3.960 0.001 0.000 0.264 383 G HA3 0.353 4.314 3.960 0.001 0.000 0.264 383 G C 0.823 175.646 174.900 -0.128 0.000 1.200 383 G CA -0.522 44.503 45.100 -0.125 0.000 0.896 383 G HN 0.434 nan 8.290 nan 0.000 0.536 384 K N -0.647 119.670 120.400 -0.137 0.000 2.280 384 K HA -0.106 4.214 4.320 0.001 0.000 0.202 384 K C 1.344 177.774 176.600 -0.283 0.000 1.047 384 K CA 1.496 57.664 56.287 -0.198 0.000 0.942 384 K CB -0.021 32.363 32.500 -0.193 0.000 0.739 384 K HN 0.337 nan 8.250 nan 0.000 0.457 385 N N 0.928 119.494 118.700 -0.224 0.000 2.322 385 N HA 0.027 4.767 4.740 0.001 0.000 0.194 385 N C -0.803 174.592 175.510 -0.191 0.000 1.126 385 N CA -0.092 52.815 53.050 -0.239 0.000 0.845 385 N CB 0.343 38.741 38.487 -0.149 0.000 0.976 385 N HN 0.068 nan 8.380 nan 0.000 0.475 386 S N 1.083 116.723 115.700 -0.100 0.000 2.443 386 S HA 0.094 4.565 4.470 0.001 0.000 0.284 386 S C -0.649 174.004 174.600 0.089 0.000 1.206 386 S CA -0.307 57.897 58.200 0.006 0.000 1.074 386 S CB -0.240 62.981 63.200 0.035 0.000 0.963 386 S HN 0.188 nan 8.310 nan 0.000 0.501 387 Y N 3.275 123.691 120.300 0.194 0.000 2.620 387 Y HA 0.167 4.717 4.550 0.001 0.000 0.330 387 Y C 1.189 177.281 175.900 0.319 0.000 1.186 387 Y CA 0.123 58.274 58.100 0.086 0.000 1.467 387 Y CB 0.475 38.823 38.460 -0.187 0.000 1.262 387 Y HN 0.336 nan 8.280 nan 0.000 0.550 388 R N 2.374 123.094 120.500 0.367 0.000 2.494 388 R HA 0.810 5.151 4.340 0.001 0.000 0.305 388 R C -0.740 175.773 176.300 0.355 0.000 0.959 388 R CA -1.075 55.213 56.100 0.315 0.000 0.864 388 R CB 1.606 32.012 30.300 0.177 0.000 1.159 388 R HN 0.710 nan 8.270 nan 0.000 0.446 389 A N 3.142 126.158 122.820 0.326 0.000 2.386 389 A HA 0.834 5.154 4.320 0.001 0.000 0.308 389 A C -0.653 177.059 177.584 0.214 0.000 1.128 389 A CA -0.775 51.463 52.037 0.335 0.000 0.789 389 A CB 1.348 20.547 19.000 0.332 0.000 1.325 389 A HN 0.631 nan 8.150 nan 0.000 0.437 390 I N 1.757 122.456 120.570 0.215 0.000 2.436 390 I HA 0.298 4.468 4.170 0.001 0.000 0.289 390 I C -0.965 175.234 176.117 0.136 0.000 1.010 390 I CA -0.628 60.767 61.300 0.158 0.000 1.098 390 I CB 1.649 39.728 38.000 0.132 0.000 1.266 390 I HN 0.372 nan 8.210 nan 0.000 0.434 391 I N 5.328 125.948 120.570 0.084 0.000 2.440 391 I HA 0.179 4.349 4.170 0.001 0.000 0.294 391 I C -0.302 175.848 176.117 0.054 0.000 0.995 391 I CA -0.567 60.753 61.300 0.034 0.000 1.306 391 I CB 1.219 39.218 38.000 -0.002 0.000 1.407 391 I HN 0.665 nan 8.210 nan 0.000 0.501 392 W N 7.255 128.361 121.300 -0.324 0.000 2.478 392 W HA 0.490 5.150 4.660 0.001 0.000 0.318 392 W C -1.055 175.218 176.519 -0.411 0.000 1.062 392 W CA -0.667 56.432 57.345 -0.410 0.000 1.210 392 W CB 1.511 30.562 29.460 -0.682 0.000 1.325 392 W HN 0.529 nan 8.180 nan 0.000 0.496 393 R N 4.381 124.357 120.500 -0.873 0.000 2.744 393 R HA 0.557 4.898 4.340 0.001 0.000 0.279 393 R C -0.957 174.693 176.300 -1.082 0.000 0.977 393 R CA -1.098 54.574 56.100 -0.712 0.000 0.906 393 R CB 3.005 33.160 30.300 -0.242 0.000 1.197 393 R HN 0.523 nan 8.270 nan 0.000 0.463 394 R N 1.964 122.058 120.500 -0.677 0.000 2.628 394 R HA 0.524 4.864 4.340 0.001 0.000 0.288 394 R C -1.411 174.752 176.300 -0.229 0.000 0.980 394 R CA -0.612 55.156 56.100 -0.554 0.000 0.891 394 R CB 1.547 31.726 30.300 -0.201 0.000 1.188 394 R HN 0.473 nan 8.270 nan 0.000 0.450 395 F N -0.410 119.492 119.950 -0.081 0.000 2.654 395 F HA 0.507 5.034 4.527 0.001 0.000 0.308 395 F C -0.856 175.038 175.800 0.156 0.000 1.108 395 F CA -1.472 56.517 58.000 -0.017 0.000 0.957 395 F CB 0.853 39.637 39.000 -0.360 0.000 1.309 395 F HN 0.385 nan 8.300 nan 0.000 0.446 396 N N 1.307 120.297 118.700 0.483 0.000 2.491 396 N HA 0.413 5.154 4.740 0.001 0.000 0.279 396 N C 0.284 176.044 175.510 0.417 0.000 1.236 396 N CA -0.895 52.373 53.050 0.365 0.000 0.982 396 N CB 0.702 39.361 38.487 0.287 0.000 1.194 396 N HN 0.847 nan 8.380 nan 0.000 0.582 397 L N -0.678 120.690 121.223 0.241 0.000 2.083 397 L HA -0.139 4.201 4.340 0.001 0.000 0.209 397 L C 2.523 179.508 176.870 0.191 0.000 1.083 397 L CA 1.417 56.347 54.840 0.150 0.000 0.752 397 L CB -0.593 41.458 42.059 -0.015 0.000 0.899 397 L HN 0.736 nan 8.230 nan 0.000 0.433 398 S N -0.465 115.358 115.700 0.205 0.000 2.365 398 S HA -0.300 4.171 4.470 0.001 0.000 0.225 398 S C 1.789 176.514 174.600 0.208 0.000 1.039 398 S CA 1.742 60.052 58.200 0.183 0.000 1.033 398 S CB -0.515 62.796 63.200 0.185 0.000 0.887 398 S HN 0.547 nan 8.310 nan 0.000 0.447 399 W N 1.765 123.150 121.300 0.142 0.000 2.335 399 W HA -0.119 4.542 4.660 0.001 0.000 0.311 399 W C 1.851 178.391 176.519 0.035 0.000 1.213 399 W CA 1.891 59.304 57.345 0.113 0.000 1.274 399 W CB -0.501 29.072 29.460 0.187 0.000 1.148 399 W HN 0.340 nan 8.180 nan 0.000 0.498 400 I N 0.213 120.898 120.570 0.192 0.000 2.163 400 I HA -0.350 3.820 4.170 0.001 0.000 0.243 400 I C 2.308 178.343 176.117 -0.137 0.000 1.085 400 I CA 1.493 62.766 61.300 -0.045 0.000 1.347 400 I CB -0.875 37.194 38.000 0.116 0.000 1.044 400 I HN -0.004 nan 8.210 nan 0.000 0.408 401 L N 0.315 121.521 121.223 -0.028 0.000 2.291 401 L HA -0.082 4.258 4.340 0.001 0.000 0.214 401 L C 1.361 178.191 176.870 -0.066 0.000 1.120 401 L CA 0.776 55.609 54.840 -0.012 0.000 0.799 401 L CB -0.434 41.655 42.059 0.050 0.000 0.925 401 L HN 0.309 nan 8.230 nan 0.000 0.446 402 N N 0.447 119.073 118.700 -0.123 0.000 2.276 402 N HA 0.091 4.832 4.740 0.001 0.000 0.212 402 N C 0.696 176.061 175.510 -0.242 0.000 1.127 402 N CA 0.116 53.082 53.050 -0.139 0.000 0.834 402 N CB 0.504 38.941 38.487 -0.083 0.000 1.014 402 N HN 0.171 nan 8.380 nan 0.000 0.491 403 G N 1.704 110.315 108.800 -0.315 0.000 2.594 403 G HA2 0.114 4.075 3.960 0.001 0.000 0.243 403 G HA3 0.114 4.075 3.960 0.001 0.000 0.243 403 G C -1.109 173.653 174.900 -0.230 0.000 1.229 403 G CA -0.689 44.200 45.100 -0.353 0.000 0.843 403 G HN 0.038 nan 8.290 nan 0.000 0.578 404 P HA -0.017 nan 4.420 nan 0.000 0.241 404 P C 0.451 177.618 177.300 -0.222 0.000 1.191 404 P CA 0.728 63.722 63.100 -0.178 0.000 0.771 404 P CB 0.352 31.964 31.700 -0.147 0.000 0.929 405 N N -0.976 117.540 118.700 -0.306 0.000 2.187 405 N HA 0.087 4.828 4.740 0.001 0.000 0.212 405 N C 0.524 175.692 175.510 -0.571 0.000 1.152 405 N CA -0.421 52.280 53.050 -0.581 0.000 0.872 405 N CB 0.175 38.056 38.487 -1.010 0.000 1.025 405 N HN 0.039 nan 8.380 nan 0.000 0.514 406 N N 0.000 118.548 118.700 -0.254 0.000 1.763 406 N HA 0.000 4.741 4.740 0.001 0.000 0.220 406 N CA 0.000 52.983 53.050 -0.112 0.000 0.885 406 N CB 0.000 38.464 38.487 -0.039 0.000 1.341 406 N HN 0.000 nan 8.380 nan 0.000 0.667