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 2ice_1_A DATA FIRST_RESID 1 DATA SEQUENCE SPMYSIITPN ILRLESEETM VLEAHDAQGD VPVTVTVHDF PGKKLVLSSE DATA SEQUENCE KTVLTPATNH MGNVTFTIPA NREFKSEKGR NKFVTVQATF GTQVVEKVVL DATA SEQUENCE VSLQSGYLFI QTDKTIYTPG STVLYRIFTV NHKLLPVGRT VMVNIENPEG DATA SEQUENCE IPVKQDSLSS QNQLGVLPLS WDIPELVNMG QWKIRAYYEN SPQQVFSTEF DATA SEQUENCE EVKEYVLPSF EVIVEPTEKF YYIYNEKGLE VTITARFLYG KKVEGTAFVI DATA SEQUENCE FGIQDGEQRI SLPESLKRIP IEDGSGEVVL SRKVLLDGVQ NLRAEDLVGK DATA SEQUENCE SLYVSATVIL HSGSDMVQAE RSGIPIVTSP YQIHFTKTPK YFKPGMPFDL DATA SEQUENCE MVFVTNPDGS PAYRVPVAVQ GEDTVQSLTQ GDGVAKLSIN THPSQKPLSI DATA SEQUENCE TVRTKKQELS EAEQATRTMQ ALPYSTVGNS NNYLHLSVLR TELRPGETLN DATA SEQUENCE VNFLLRMDRA HEAKIRYYTY LIMNKGRLLK AGRQVREPGQ DLVVLPLSIT DATA SEQUENCE TDFIPSFRLV AYYTLIGASG QREVVADSVW VDVKDSCVGS LVVKSGQSED DATA SEQUENCE RQPVPGQQMT LKIEGDHGAR VVLVAVDKGV FVLNKKNKLT QSKIWDVVEK DATA SEQUENCE ADIGcTPGSG KDYAGVFSDA GLTFTSSSGQ QTAQRAELQc PQ VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.533 174.600 -0.111 0.000 1.055 1 S CA 0.000 58.166 58.200 -0.056 0.000 1.107 1 S CB 0.000 63.173 63.200 -0.045 0.000 0.593 2 P HA 0.195 nan 4.420 nan 0.000 0.268 2 P C -0.678 176.319 177.300 -0.505 0.000 1.204 2 P CA -0.301 62.595 63.100 -0.340 0.000 0.768 2 P CB 0.361 31.781 31.700 -0.467 0.000 0.842 3 M N 4.004 123.364 119.600 -0.401 0.000 2.101 3 M HA 0.294 4.766 4.480 -0.012 0.000 0.340 3 M C -1.389 174.643 176.300 -0.446 0.000 1.057 3 M CA -0.780 54.302 55.300 -0.363 0.000 0.984 3 M CB 0.531 33.035 32.600 -0.161 0.000 1.560 3 M HN 0.170 nan 8.290 nan 0.000 0.435 4 Y N 2.693 122.827 120.300 -0.277 0.000 2.308 4 Y HA 0.538 5.080 4.550 -0.013 0.000 0.329 4 Y C 0.545 176.156 175.900 -0.481 0.000 1.111 4 Y CA -0.375 57.340 58.100 -0.641 0.000 1.179 4 Y CB 1.217 38.879 38.460 -1.330 0.000 1.201 4 Y HN 0.700 nan 8.280 nan 0.000 0.483 5 S N 3.190 118.759 115.700 -0.219 0.000 2.599 5 S HA 0.813 5.275 4.470 -0.012 0.000 0.287 5 S C -1.614 172.964 174.600 -0.037 0.000 1.105 5 S CA -0.669 57.424 58.200 -0.178 0.000 0.899 5 S CB 1.940 65.154 63.200 0.024 0.000 1.100 5 S HN 0.583 nan 8.310 nan 0.000 0.482 6 I N 1.789 122.251 120.570 -0.179 0.000 2.571 6 I HA 0.657 4.820 4.170 -0.012 0.000 0.289 6 I C -2.150 173.915 176.117 -0.087 0.000 1.115 6 I CA -1.016 60.282 61.300 -0.002 0.000 1.045 6 I CB 1.464 39.527 38.000 0.105 0.000 1.238 6 I HN 0.752 nan 8.210 nan 0.000 0.424 7 I N 7.102 127.710 120.570 0.062 0.000 2.378 7 I HA 0.671 4.834 4.170 -0.012 0.000 0.291 7 I C 0.268 176.460 176.117 0.124 0.000 0.992 7 I CA -0.010 61.344 61.300 0.090 0.000 1.154 7 I CB 1.870 39.995 38.000 0.208 0.000 1.315 7 I HN 0.745 nan 8.210 nan 0.000 0.448 8 T N 3.939 118.561 114.554 0.113 0.000 2.887 8 T HA 0.690 5.033 4.350 -0.012 0.000 0.292 8 T C -2.958 171.822 174.700 0.132 0.000 1.087 8 T CA -2.574 59.608 62.100 0.136 0.000 1.009 8 T CB 2.181 71.153 68.868 0.172 0.000 1.203 8 T HN 0.086 nan 8.240 nan 0.000 0.518 9 P HA 0.228 nan 4.420 nan 0.000 0.268 9 P C 0.661 178.026 177.300 0.108 0.000 1.204 9 P CA 0.062 63.232 63.100 0.117 0.000 0.768 9 P CB 0.165 31.922 31.700 0.095 0.000 0.842 10 N N 1.332 120.098 118.700 0.109 0.000 2.089 10 N HA -0.185 4.548 4.740 -0.012 0.000 0.198 10 N C 0.291 175.844 175.510 0.070 0.000 1.017 10 N CA 1.025 54.131 53.050 0.094 0.000 0.880 10 N CB -0.171 38.373 38.487 0.096 0.000 1.042 10 N HN 0.411 nan 8.380 nan 0.000 0.446 11 I N 0.767 121.369 120.570 0.054 0.000 2.569 11 I HA 0.324 4.486 4.170 -0.012 0.000 0.296 11 I C -0.866 175.259 176.117 0.012 0.000 1.028 11 I CA -0.614 60.694 61.300 0.014 0.000 1.082 11 I CB 2.202 40.196 38.000 -0.010 0.000 1.264 11 I HN -0.080 nan 8.210 nan 0.000 0.429 12 L N 4.674 125.893 121.223 -0.006 0.000 2.346 12 L HA 0.608 4.941 4.340 -0.012 0.000 0.274 12 L C -0.332 176.488 176.870 -0.084 0.000 1.007 12 L CA -0.985 53.855 54.840 -0.001 0.000 0.818 12 L CB 1.577 43.691 42.059 0.091 0.000 1.284 12 L HN 0.452 nan 8.230 nan 0.000 0.424 13 R N 1.596 122.022 120.500 -0.124 0.000 2.459 13 R HA 0.559 4.892 4.340 -0.012 0.000 0.281 13 R C -0.586 175.608 176.300 -0.176 0.000 1.050 13 R CA -0.450 55.516 56.100 -0.222 0.000 1.055 13 R CB 0.770 30.828 30.300 -0.403 0.000 1.045 13 R HN 0.486 nan 8.270 nan 0.000 0.495 14 L N 2.830 123.922 121.223 -0.219 0.000 2.375 14 L HA 0.146 4.479 4.340 -0.012 0.000 0.271 14 L C 0.705 177.489 176.870 -0.143 0.000 1.107 14 L CA 0.235 54.950 54.840 -0.208 0.000 0.806 14 L CB 0.698 42.591 42.059 -0.277 0.000 1.146 14 L HN 0.806 nan 8.230 nan 0.000 0.447 15 E N -0.687 119.456 120.200 -0.095 0.000 3.912 15 E HA -0.228 4.115 4.350 -0.012 0.000 0.335 15 E C 0.088 176.671 176.600 -0.029 0.000 0.654 15 E CA 1.108 57.474 56.400 -0.057 0.000 1.177 15 E CB -1.123 28.532 29.700 -0.075 0.000 1.650 15 E HN 0.726 nan 8.360 nan 0.000 0.430 16 S N 0.244 115.930 115.700 -0.023 0.000 2.651 16 S HA 0.499 4.962 4.470 -0.012 0.000 0.291 16 S C -0.029 174.575 174.600 0.008 0.000 1.141 16 S CA -0.855 57.364 58.200 0.031 0.000 1.027 16 S CB 2.501 65.792 63.200 0.151 0.000 1.043 16 S HN 0.157 nan 8.310 nan 0.000 0.530 17 E N 1.008 121.207 120.200 -0.003 0.000 2.373 17 E HA 0.218 4.560 4.350 -0.012 0.000 0.267 17 E C -0.234 176.291 176.600 -0.126 0.000 1.032 17 E CA 0.111 56.466 56.400 -0.074 0.000 0.889 17 E CB 0.468 30.129 29.700 -0.065 0.000 0.984 17 E HN 0.564 nan 8.360 nan 0.000 0.425 18 E N 1.301 121.306 120.200 -0.325 0.000 2.408 18 E HA 0.361 4.704 4.350 -0.012 0.000 0.275 18 E C -1.122 175.116 176.600 -0.604 0.000 0.935 18 E CA -0.707 55.440 56.400 -0.422 0.000 0.775 18 E CB 2.281 31.683 29.700 -0.496 0.000 1.277 18 E HN 0.306 nan 8.360 nan 0.000 0.455 19 T N 1.466 115.796 114.554 -0.374 0.000 2.824 19 T HA 0.564 4.906 4.350 -0.012 0.000 0.282 19 T C -0.108 174.517 174.700 -0.125 0.000 0.993 19 T CA -0.651 61.306 62.100 -0.238 0.000 0.967 19 T CB 0.912 69.721 68.868 -0.099 0.000 0.960 19 T HN 0.461 nan 8.240 nan 0.000 0.441 20 M N 2.897 122.501 119.600 0.008 0.000 2.383 20 M HA 0.751 5.223 4.480 -0.012 0.000 0.325 20 M C -1.818 174.565 176.300 0.138 0.000 1.092 20 M CA -0.673 54.729 55.300 0.169 0.000 0.961 20 M CB 1.546 34.392 32.600 0.410 0.000 1.672 20 M HN 0.299 nan 8.290 nan 0.000 0.438 21 V N 6.363 126.366 119.914 0.149 0.000 2.293 21 V HA 0.386 4.499 4.120 -0.012 0.000 0.275 21 V C -0.485 175.732 176.094 0.205 0.000 1.021 21 V CA -0.563 61.830 62.300 0.156 0.000 0.815 21 V CB 0.873 32.794 31.823 0.163 0.000 1.025 21 V HN 0.830 nan 8.190 nan 0.000 0.448 22 L N 5.108 126.453 121.223 0.204 0.000 2.326 22 L HA 0.615 4.948 4.340 -0.012 0.000 0.278 22 L C 0.230 177.293 176.870 0.321 0.000 1.092 22 L CA 0.111 55.136 54.840 0.310 0.000 0.810 22 L CB 0.718 42.901 42.059 0.208 0.000 1.153 22 L HN 0.559 nan 8.230 nan 0.000 0.439 23 E N 1.769 122.209 120.200 0.399 0.000 2.321 23 E HA 0.684 5.026 4.350 -0.012 0.000 0.278 23 E C -1.352 175.394 176.600 0.243 0.000 0.902 23 E CA -0.873 55.684 56.400 0.262 0.000 0.758 23 E CB 2.427 32.285 29.700 0.264 0.000 1.213 23 E HN 0.630 nan 8.360 nan 0.000 0.426 24 A N 3.257 126.171 122.820 0.157 0.000 2.318 24 A HA 0.498 4.811 4.320 -0.012 0.000 0.317 24 A C -1.034 176.507 177.584 -0.072 0.000 1.159 24 A CA -0.598 51.482 52.037 0.071 0.000 0.799 24 A CB 0.598 19.704 19.000 0.176 0.000 1.194 24 A HN 0.598 nan 8.150 nan 0.000 0.479 25 H N 1.848 120.895 119.070 -0.039 0.000 2.467 25 H HA 0.250 4.798 4.556 -0.012 0.000 0.326 25 H C -0.756 174.562 175.328 -0.017 0.000 1.094 25 H CA -0.042 56.046 56.048 0.066 0.000 1.253 25 H CB 1.334 31.164 29.762 0.113 0.000 1.439 25 H HN 0.839 nan 8.280 nan 0.000 0.479 26 D N 0.561 121.054 120.400 0.156 0.000 2.699 26 D HA -0.148 4.485 4.640 -0.012 0.000 0.239 26 D C 0.032 176.329 176.300 -0.004 0.000 1.136 26 D CA 0.812 54.862 54.000 0.082 0.000 0.668 26 D CB -1.307 39.525 40.800 0.053 0.000 1.060 26 D HN 0.696 nan 8.370 nan 0.000 0.429 27 A N 0.009 122.803 122.820 -0.043 0.000 2.282 27 A HA 0.767 5.080 4.320 -0.012 0.000 0.324 27 A C -0.025 177.540 177.584 -0.031 0.000 1.119 27 A CA -0.568 51.381 52.037 -0.147 0.000 0.880 27 A CB 1.411 20.181 19.000 -0.384 0.000 1.294 27 A HN 0.020 nan 8.150 nan 0.000 0.493 28 Q N -0.226 119.566 119.800 -0.014 0.000 2.305 28 Q HA 0.525 4.858 4.340 -0.012 0.000 0.271 28 Q C 0.161 176.231 176.000 0.116 0.000 1.046 28 Q CA 0.106 55.968 55.803 0.098 0.000 0.798 28 Q CB 1.584 30.364 28.738 0.071 0.000 1.286 28 Q HN 2.033 nan 8.270 nan 0.000 0.435 29 G N 2.745 111.659 108.800 0.191 0.000 2.749 29 G HA2 -0.234 3.718 3.960 -0.012 0.000 0.242 29 G HA3 -0.234 3.718 3.960 -0.012 0.000 0.242 29 G C -0.890 174.131 174.900 0.202 0.000 1.364 29 G CA -0.524 44.672 45.100 0.161 0.000 0.888 29 G HN 0.612 nan 8.290 nan 0.000 0.566 30 D N -0.405 120.074 120.400 0.133 0.000 2.434 30 D HA 0.356 4.988 4.640 -0.012 0.000 0.252 30 D C 0.360 176.716 176.300 0.093 0.000 1.185 30 D CA 0.527 54.598 54.000 0.119 0.000 0.886 30 D CB 1.564 42.407 40.800 0.071 0.000 1.148 30 D HN 0.825 nan 8.370 nan 0.000 0.483 31 V N 5.462 125.438 119.914 0.103 0.000 2.305 31 V HA 0.362 4.475 4.120 -0.012 0.000 0.275 31 V C -2.534 173.583 176.094 0.039 0.000 1.020 31 V CA -2.014 60.331 62.300 0.075 0.000 0.811 31 V CB 1.663 33.554 31.823 0.114 0.000 1.031 31 V HN 0.381 nan 8.190 nan 0.000 0.439 32 P HA 0.328 nan 4.420 nan 0.000 0.280 32 P C -0.955 176.260 177.300 -0.142 0.000 1.244 32 P CA -0.095 62.972 63.100 -0.054 0.000 0.784 32 P CB 1.886 33.563 31.700 -0.038 0.000 0.913 33 V N 3.561 123.359 119.914 -0.195 0.000 2.483 33 V HA 0.296 4.409 4.120 -0.012 0.000 0.297 33 V C 0.163 176.110 176.094 -0.245 0.000 1.027 33 V CA -0.294 61.794 62.300 -0.353 0.000 0.855 33 V CB 2.030 33.511 31.823 -0.569 0.000 0.995 33 V HN 0.543 nan 8.190 nan 0.000 0.424 34 T N 4.266 118.688 114.554 -0.220 0.000 2.875 34 T HA 0.648 4.991 4.350 -0.012 0.000 0.284 34 T C -0.395 174.208 174.700 -0.162 0.000 0.995 34 T CA -0.481 61.531 62.100 -0.147 0.000 1.060 34 T CB 1.804 70.613 68.868 -0.098 0.000 0.967 34 T HN 0.330 nan 8.240 nan 0.000 0.476 35 V N 3.537 123.378 119.914 -0.120 0.000 2.443 35 V HA 0.458 4.570 4.120 -0.012 0.000 0.293 35 V C -0.171 175.850 176.094 -0.121 0.000 1.021 35 V CA -0.736 61.496 62.300 -0.114 0.000 0.848 35 V CB 1.816 33.585 31.823 -0.090 0.000 0.998 35 V HN 1.076 nan 8.190 nan 0.000 0.424 36 T N 4.007 118.497 114.554 -0.107 0.000 2.829 36 T HA 0.651 4.994 4.350 -0.012 0.000 0.280 36 T C -0.460 174.150 174.700 -0.151 0.000 0.999 36 T CA -0.587 61.437 62.100 -0.126 0.000 0.983 36 T CB 2.024 70.886 68.868 -0.009 0.000 0.968 36 T HN 0.261 nan 8.240 nan 0.000 0.446 37 V N 3.919 123.672 119.914 -0.269 0.000 2.357 37 V HA 0.433 4.546 4.120 -0.012 0.000 0.284 37 V C -0.730 175.225 176.094 -0.232 0.000 1.018 37 V CA -0.740 61.434 62.300 -0.211 0.000 0.841 37 V CB 0.746 32.386 31.823 -0.304 0.000 0.991 37 V HN 0.884 nan 8.190 nan 0.000 0.437 38 H N 1.979 121.050 119.070 0.002 0.000 2.710 38 H HA 0.497 5.045 4.556 -0.013 0.000 0.361 38 H C -0.267 175.118 175.328 0.095 0.000 1.175 38 H CA -0.945 55.126 56.048 0.039 0.000 1.206 38 H CB 1.036 30.819 29.762 0.035 0.000 1.750 38 H HN 0.741 nan 8.280 nan 0.000 0.553 39 D N 0.736 121.248 120.400 0.186 0.000 2.344 39 D HA 0.021 4.654 4.640 -0.012 0.000 0.244 39 D C -0.538 175.891 176.300 0.215 0.000 1.134 39 D CA -0.173 53.898 54.000 0.120 0.000 0.930 39 D CB 1.022 41.718 40.800 -0.174 0.000 1.175 39 D HN 0.171 nan 8.370 nan 0.000 0.437 40 F N 0.928 120.921 119.950 0.072 0.000 2.458 40 F HA 0.361 4.880 4.527 -0.014 0.000 0.330 40 F C -1.859 173.947 175.800 0.011 0.000 1.082 40 F CA -1.671 56.359 58.000 0.050 0.000 0.995 40 F CB 0.256 39.304 39.000 0.080 0.000 1.170 40 F HN 0.251 nan 8.300 nan 0.000 0.478 41 P HA -0.072 nan 4.420 nan 0.000 0.278 41 P C -0.476 176.654 177.300 -0.284 0.000 1.326 41 P CA 1.442 64.135 63.100 -0.678 0.000 0.941 41 P CB -0.244 31.116 31.700 -0.566 0.000 0.688 42 G N 0.963 109.642 108.800 -0.203 0.000 2.920 42 G HA2 -0.209 3.744 3.960 -0.012 0.000 0.210 42 G HA3 -0.209 3.744 3.960 -0.012 0.000 0.210 42 G C -0.436 174.418 174.900 -0.076 0.000 0.806 42 G CA -0.045 44.983 45.100 -0.120 0.000 0.853 42 G HN 0.691 nan 8.290 nan 0.000 0.333 43 K N 1.843 122.216 120.400 -0.044 0.000 2.110 43 K HA 0.758 5.070 4.320 -0.012 0.000 0.263 43 K C 0.156 176.789 176.600 0.055 0.000 0.975 43 K CA -0.828 55.469 56.287 0.017 0.000 0.895 43 K CB 2.101 34.585 32.500 -0.027 0.000 1.060 43 K HN 0.385 nan 8.250 nan 0.000 0.448 44 K N 3.143 123.607 120.400 0.105 0.000 2.561 44 K HA 0.174 4.486 4.320 -0.012 0.000 0.254 44 K C -1.443 175.190 176.600 0.056 0.000 0.942 44 K CA -0.597 55.733 56.287 0.070 0.000 0.818 44 K CB 1.336 33.834 32.500 -0.004 0.000 1.306 44 K HN 0.742 nan 8.250 nan 0.000 0.435 45 L N 3.918 125.132 121.223 -0.015 0.000 2.268 45 L HA 0.340 4.672 4.340 -0.012 0.000 0.289 45 L C 0.699 177.466 176.870 -0.171 0.000 1.064 45 L CA -0.686 53.996 54.840 -0.263 0.000 0.824 45 L CB 0.873 42.648 42.059 -0.474 0.000 1.202 45 L HN 0.422 nan 8.230 nan 0.000 0.433 46 V N 2.744 122.581 119.914 -0.128 0.000 2.951 46 V HA 0.141 4.253 4.120 -0.012 0.000 0.255 46 V C 0.692 176.758 176.094 -0.045 0.000 1.088 46 V CA 0.489 62.779 62.300 -0.016 0.000 1.109 46 V CB -0.512 31.392 31.823 0.135 0.000 0.724 46 V HN 0.763 nan 8.190 nan 0.000 0.471 47 L N -0.089 121.055 121.223 -0.132 0.000 2.680 47 L HA 0.498 4.831 4.340 -0.012 0.000 0.260 47 L C 0.558 177.323 176.870 -0.175 0.000 0.975 47 L CA 0.374 55.142 54.840 -0.121 0.000 0.920 47 L CB 1.877 43.886 42.059 -0.084 0.000 1.234 47 L HN -0.036 nan 8.230 nan 0.000 0.429 48 S N 1.443 117.062 115.700 -0.135 0.000 2.511 48 S HA 0.234 4.697 4.470 -0.012 0.000 0.214 48 S C 0.827 175.384 174.600 -0.072 0.000 0.997 48 S CA 0.111 58.238 58.200 -0.121 0.000 0.908 48 S CB 0.210 63.349 63.200 -0.102 0.000 0.803 48 S HN 0.653 nan 8.310 nan 0.000 0.504 49 S N 2.114 117.784 115.700 -0.050 0.000 2.572 49 S HA 0.220 4.683 4.470 -0.012 0.000 0.267 49 S C -0.710 173.885 174.600 -0.009 0.000 1.361 49 S CA 0.312 58.501 58.200 -0.017 0.000 1.009 49 S CB -0.002 63.202 63.200 0.007 0.000 0.888 49 S HN 0.636 nan 8.310 nan 0.000 0.553 50 E N -0.024 120.180 120.200 0.005 0.000 7.230 50 E HA -0.132 4.210 4.350 -0.012 0.000 0.212 50 E C -0.758 175.833 176.600 -0.016 0.000 0.998 50 E CA 0.448 56.858 56.400 0.017 0.000 1.594 50 E CB -1.545 28.200 29.700 0.075 0.000 0.917 50 E HN 0.737 nan 8.360 nan 0.000 0.275 51 K N -0.141 120.244 120.400 -0.025 0.000 2.346 51 K HA 0.872 5.184 4.320 -0.012 0.000 0.238 51 K C -0.066 176.510 176.600 -0.041 0.000 1.039 51 K CA -0.837 55.419 56.287 -0.051 0.000 0.861 51 K CB 2.729 35.196 32.500 -0.054 0.000 1.278 51 K HN 0.279 nan 8.250 nan 0.000 0.460 52 T N -0.559 113.959 114.554 -0.060 0.000 2.711 52 T HA 0.483 4.826 4.350 -0.012 0.000 0.302 52 T C -1.962 172.713 174.700 -0.042 0.000 1.373 52 T CA -0.618 61.457 62.100 -0.041 0.000 1.000 52 T CB 1.657 70.506 68.868 -0.032 0.000 1.483 52 T HN 0.656 nan 8.240 nan 0.000 0.499 53 V N 1.343 121.249 119.914 -0.013 0.000 2.577 53 V HA 0.672 4.785 4.120 -0.012 0.000 0.303 53 V C -0.763 175.360 176.094 0.047 0.000 1.042 53 V CA -0.985 61.321 62.300 0.009 0.000 0.872 53 V CB 1.422 33.254 31.823 0.015 0.000 0.998 53 V HN 0.764 nan 8.190 nan 0.000 0.423 54 L N 4.910 126.189 121.223 0.093 0.000 2.257 54 L HA 0.625 4.958 4.340 -0.012 0.000 0.290 54 L C 0.691 177.724 176.870 0.271 0.000 1.044 54 L CA -0.066 54.883 54.840 0.181 0.000 0.810 54 L CB 1.595 43.802 42.059 0.247 0.000 1.193 54 L HN 1.002 nan 8.230 nan 0.000 0.425 55 T N -0.330 114.321 114.554 0.160 0.000 2.945 55 T HA 0.442 4.784 4.350 -0.012 0.000 0.286 55 T C -2.170 172.392 174.700 -0.230 0.000 1.025 55 T CA -2.065 60.072 62.100 0.062 0.000 1.039 55 T CB 2.175 71.043 68.868 -0.000 0.000 1.068 55 T HN 0.203 nan 8.240 nan 0.000 0.497 56 P HA 0.119 nan 4.420 nan 0.000 0.225 56 P C 1.589 178.722 177.300 -0.279 0.000 1.156 56 P CA 0.723 63.518 63.100 -0.509 0.000 0.787 56 P CB -0.252 31.336 31.700 -0.186 0.000 0.802 57 A N 0.052 122.777 122.820 -0.157 0.000 1.986 57 A HA -0.180 4.133 4.320 -0.012 0.000 0.220 57 A C 1.873 179.389 177.584 -0.113 0.000 1.171 57 A CA 2.461 54.436 52.037 -0.102 0.000 0.640 57 A CB -1.734 17.231 19.000 -0.059 0.000 0.811 57 A HN 0.366 nan 8.150 nan 0.000 0.451 58 T N -5.024 109.443 114.554 -0.146 0.000 3.182 58 T HA 0.238 4.580 4.350 -0.012 0.000 0.277 58 T C 0.416 175.002 174.700 -0.191 0.000 1.013 58 T CA 0.209 62.232 62.100 -0.128 0.000 0.900 58 T CB -0.197 68.624 68.868 -0.079 0.000 1.098 58 T HN 0.331 nan 8.240 nan 0.000 0.543 59 N N 3.464 121.994 118.700 -0.284 0.000 2.710 59 N HA -0.239 4.494 4.740 -0.012 0.000 0.249 59 N C -0.463 174.859 175.510 -0.313 0.000 1.059 59 N CA 1.148 53.980 53.050 -0.365 0.000 0.720 59 N CB -1.833 36.457 38.487 -0.328 0.000 0.983 59 N HN 0.798 nan 8.380 nan 0.000 0.544 60 H N -2.820 116.197 119.070 -0.089 0.000 2.756 60 H HA -0.227 4.322 4.556 -0.012 0.000 0.315 60 H C 0.370 175.662 175.328 -0.060 0.000 1.210 60 H CA 1.318 57.339 56.048 -0.045 0.000 1.150 60 H CB -1.418 28.333 29.762 -0.018 0.000 1.463 60 H HN 0.467 nan 8.280 nan 0.000 0.427 61 M N 1.028 120.632 119.600 0.005 0.000 1.999 61 M HA 0.440 4.913 4.480 -0.012 0.000 0.299 61 M C 0.393 176.712 176.300 0.032 0.000 0.900 61 M CA -0.125 55.182 55.300 0.011 0.000 0.904 61 M CB 1.054 33.620 32.600 -0.058 0.000 1.477 61 M HN 0.393 nan 8.290 nan 0.000 0.403 62 G N 2.701 111.546 108.800 0.075 0.000 2.667 62 G HA2 0.684 4.636 3.960 -0.012 0.000 0.310 62 G HA3 0.684 4.636 3.960 -0.012 0.000 0.310 62 G C -1.257 173.683 174.900 0.068 0.000 1.259 62 G CA -0.618 44.516 45.100 0.057 0.000 1.019 62 G HN 0.733 nan 8.290 nan 0.000 0.496 63 N N -2.138 116.590 118.700 0.047 0.000 2.277 63 N HA 0.534 5.266 4.740 -0.012 0.000 0.286 63 N C -1.818 173.717 175.510 0.041 0.000 1.140 63 N CA -0.746 52.335 53.050 0.052 0.000 0.799 63 N CB 2.407 40.916 38.487 0.037 0.000 1.596 63 N HN 0.455 nan 8.380 nan 0.000 0.473 64 V N 0.416 120.367 119.914 0.063 0.000 2.555 64 V HA 0.677 4.789 4.120 -0.012 0.000 0.302 64 V C -0.596 175.548 176.094 0.084 0.000 1.038 64 V CA -0.462 61.884 62.300 0.077 0.000 0.887 64 V CB 1.727 33.607 31.823 0.094 0.000 0.991 64 V HN 0.921 nan 8.190 nan 0.000 0.434 65 T N 6.490 121.072 114.554 0.046 0.000 2.791 65 T HA 0.673 5.016 4.350 -0.012 0.000 0.288 65 T C -0.818 173.885 174.700 0.006 0.000 0.999 65 T CA -0.420 61.647 62.100 -0.055 0.000 0.952 65 T CB 0.110 68.939 68.868 -0.065 0.000 0.938 65 T HN 0.506 nan 8.240 nan 0.000 0.444 66 F N 1.523 121.474 119.950 0.002 0.000 2.618 66 F HA 0.897 5.416 4.527 -0.014 0.000 0.332 66 F C -0.496 175.303 175.800 -0.002 0.000 1.061 66 F CA -1.111 56.887 58.000 -0.003 0.000 0.974 66 F CB 1.272 40.268 39.000 -0.007 0.000 1.310 66 F HN 0.314 nan 8.300 nan 0.000 0.491 67 T N 2.517 117.246 114.554 0.292 0.000 2.881 67 T HA 0.529 4.872 4.350 -0.012 0.000 0.291 67 T C -0.494 174.333 174.700 0.212 0.000 0.990 67 T CA -0.378 61.840 62.100 0.196 0.000 0.976 67 T CB 1.102 70.012 68.868 0.069 0.000 0.970 67 T HN 0.548 nan 8.240 nan 0.000 0.438 68 I N 5.967 126.659 120.570 0.203 0.000 2.416 68 I HA 0.307 4.470 4.170 -0.012 0.000 0.288 68 I C -1.989 174.142 176.117 0.023 0.000 1.051 68 I CA -2.075 59.281 61.300 0.094 0.000 1.375 68 I CB 0.837 38.863 38.000 0.044 0.000 1.407 68 I HN 0.331 nan 8.210 nan 0.000 0.516 69 P HA 0.298 nan 4.420 nan 0.000 0.281 69 P C -0.773 176.539 177.300 0.019 0.000 1.264 69 P CA -0.634 62.479 63.100 0.021 0.000 0.824 69 P CB 0.959 32.685 31.700 0.043 0.000 1.092 70 A N 2.087 124.908 122.820 0.002 0.000 2.445 70 A HA 0.245 4.557 4.320 -0.012 0.000 0.242 70 A C 0.215 177.886 177.584 0.145 0.000 1.075 70 A CA 0.180 52.239 52.037 0.036 0.000 0.777 70 A CB -0.655 18.349 19.000 0.008 0.000 1.013 70 A HN 0.662 nan 8.150 nan 0.000 0.493 71 N N -0.352 118.512 118.700 0.275 0.000 2.455 71 N HA 0.264 4.997 4.740 -0.012 0.000 0.278 71 N C 0.586 176.189 175.510 0.155 0.000 1.291 71 N CA -0.880 52.295 53.050 0.208 0.000 0.780 71 N CB 1.549 40.166 38.487 0.217 0.000 1.520 71 N HN 0.620 nan 8.380 nan 0.000 0.486 72 R N 0.648 121.193 120.500 0.076 0.000 2.120 72 R HA -0.093 4.239 4.340 -0.012 0.000 0.234 72 R C 1.107 177.418 176.300 0.018 0.000 1.123 72 R CA 1.135 57.263 56.100 0.045 0.000 0.975 72 R CB -0.021 30.292 30.300 0.022 0.000 0.866 72 R HN 0.612 nan 8.270 nan 0.000 0.446 73 E N -0.065 120.111 120.200 -0.039 0.000 2.268 73 E HA -0.123 4.220 4.350 -0.012 0.000 0.195 73 E C 1.363 177.844 176.600 -0.198 0.000 0.995 73 E CA 0.825 57.137 56.400 -0.147 0.000 0.836 73 E CB 0.017 29.569 29.700 -0.248 0.000 0.763 73 E HN 0.340 nan 8.360 nan 0.000 0.491 74 F N 0.361 120.321 119.950 0.017 0.000 2.710 74 F HA 0.027 4.545 4.527 -0.014 0.000 0.298 74 F C 1.552 177.357 175.800 0.009 0.000 1.137 74 F CA 0.645 58.654 58.000 0.015 0.000 1.444 74 F CB 0.419 39.424 39.000 0.009 0.000 1.111 74 F HN -0.227 nan 8.300 nan 0.000 0.580 75 K N -0.821 119.669 120.400 0.150 0.000 2.564 75 K HA 0.128 4.441 4.320 -0.012 0.000 0.205 75 K C 0.902 177.533 176.600 0.052 0.000 1.053 75 K CA 0.157 56.502 56.287 0.096 0.000 1.072 75 K CB 0.521 33.075 32.500 0.088 0.000 0.822 75 K HN 0.028 nan 8.250 nan 0.000 0.497 76 S N -0.770 114.950 115.700 0.033 0.000 2.701 76 S HA 0.183 4.646 4.470 -0.012 0.000 0.242 76 S C 0.304 174.909 174.600 0.008 0.000 1.025 76 S CA -0.501 57.706 58.200 0.012 0.000 1.016 76 S CB 0.211 63.409 63.200 -0.004 0.000 0.977 76 S HN 0.131 nan 8.310 nan 0.000 0.546 77 E N 1.320 121.533 120.200 0.022 0.000 3.575 77 E HA 0.316 4.659 4.350 -0.012 0.000 0.201 77 E C -0.602 176.021 176.600 0.038 0.000 0.999 77 E CA -0.278 56.137 56.400 0.026 0.000 1.315 77 E CB 0.616 30.333 29.700 0.028 0.000 1.146 77 E HN 0.352 nan 8.360 nan 0.000 0.453 78 K N -0.363 120.056 120.400 0.031 0.000 2.339 78 K HA 0.146 4.459 4.320 -0.012 0.000 0.260 78 K C 1.408 178.019 176.600 0.019 0.000 0.989 78 K CA 1.200 57.503 56.287 0.025 0.000 0.888 78 K CB 0.153 32.662 32.500 0.016 0.000 0.983 78 K HN 0.327 nan 8.250 nan 0.000 0.515 79 G N 0.073 108.878 108.800 0.009 0.000 2.674 79 G HA2 -0.286 3.666 3.960 -0.012 0.000 0.236 79 G HA3 -0.286 3.666 3.960 -0.012 0.000 0.236 79 G C 0.145 175.055 174.900 0.016 0.000 1.178 79 G CA 0.204 45.307 45.100 0.004 0.000 0.721 79 G HN 0.428 nan 8.290 nan 0.000 0.515 80 R N 1.198 121.718 120.500 0.033 0.000 2.573 80 R HA 0.405 4.738 4.340 -0.012 0.000 0.272 80 R C 0.267 176.605 176.300 0.064 0.000 1.009 80 R CA -0.779 55.355 56.100 0.057 0.000 1.059 80 R CB 0.073 30.417 30.300 0.074 0.000 1.112 80 R HN 0.515 nan 8.270 nan 0.000 0.517 81 N N 1.636 120.385 118.700 0.082 0.000 2.497 81 N HA 0.003 4.736 4.740 -0.012 0.000 0.268 81 N C -0.276 175.237 175.510 0.004 0.000 1.171 81 N CA -0.020 53.027 53.050 -0.005 0.000 0.948 81 N CB 0.752 39.205 38.487 -0.057 0.000 1.069 81 N HN -0.021 nan 8.380 nan 0.000 0.460 82 K N 1.943 122.301 120.400 -0.070 0.000 2.168 82 K HA 0.360 4.672 4.320 -0.012 0.000 0.258 82 K C -0.682 175.805 176.600 -0.188 0.000 1.010 82 K CA 0.302 56.629 56.287 0.067 0.000 0.929 82 K CB 0.526 33.171 32.500 0.242 0.000 0.998 82 K HN 0.368 nan 8.250 nan 0.000 0.479 83 F N -1.110 119.007 119.950 0.278 0.000 2.654 83 F HA 0.311 4.830 4.527 -0.014 0.000 0.308 83 F C -0.420 175.564 175.800 0.305 0.000 1.108 83 F CA -1.015 57.138 58.000 0.254 0.000 0.957 83 F CB 1.737 40.905 39.000 0.280 0.000 1.309 83 F HN 0.249 nan 8.300 nan 0.000 0.446 84 V N -1.761 118.415 119.914 0.437 0.000 3.130 84 V HA 0.881 4.993 4.120 -0.012 0.000 0.310 84 V C -0.878 175.312 176.094 0.161 0.000 1.158 84 V CA -0.907 61.583 62.300 0.315 0.000 1.029 84 V CB 1.716 33.690 31.823 0.252 0.000 1.057 84 V HN 0.720 nan 8.190 nan 0.000 0.436 85 T N 1.359 115.997 114.554 0.140 0.000 2.758 85 T HA 0.652 4.995 4.350 -0.012 0.000 0.285 85 T C -0.420 174.307 174.700 0.045 0.000 0.981 85 T CA -0.411 61.704 62.100 0.024 0.000 0.965 85 T CB 1.305 70.202 68.868 0.048 0.000 0.927 85 T HN 0.703 nan 8.240 nan 0.000 0.448 86 V N 3.912 123.820 119.914 -0.009 0.000 2.370 86 V HA 0.430 4.543 4.120 -0.012 0.000 0.279 86 V C -0.056 176.027 176.094 -0.019 0.000 1.029 86 V CA -0.503 61.775 62.300 -0.036 0.000 0.870 86 V CB 1.360 33.161 31.823 -0.038 0.000 0.984 86 V HN 0.879 nan 8.190 nan 0.000 0.451 87 Q N 3.852 123.643 119.800 -0.014 0.000 2.309 87 Q HA 0.737 5.070 4.340 -0.012 0.000 0.270 87 Q C -0.871 175.120 176.000 -0.016 0.000 1.023 87 Q CA -0.544 55.261 55.803 0.005 0.000 0.758 87 Q CB 1.856 30.616 28.738 0.037 0.000 1.247 87 Q HN 0.848 nan 8.270 nan 0.000 0.455 88 A N 2.913 125.738 122.820 0.008 0.000 2.318 88 A HA 0.676 4.989 4.320 -0.012 0.000 0.324 88 A C -0.690 176.879 177.584 -0.025 0.000 1.170 88 A CA -0.495 51.511 52.037 -0.051 0.000 0.810 88 A CB 1.367 20.375 19.000 0.013 0.000 1.198 88 A HN 0.661 nan 8.150 nan 0.000 0.484 89 T N 2.491 116.955 114.554 -0.151 0.000 2.788 89 T HA 0.422 4.765 4.350 -0.012 0.000 0.296 89 T C -0.692 173.846 174.700 -0.271 0.000 1.009 89 T CA 0.117 62.152 62.100 -0.108 0.000 0.949 89 T CB -0.170 68.651 68.868 -0.079 0.000 0.946 89 T HN 0.354 nan 8.240 nan 0.000 0.453 90 F N 3.366 123.134 119.950 -0.303 0.000 2.462 90 F HA 0.431 4.950 4.527 -0.013 0.000 0.354 90 F C 1.690 177.247 175.800 -0.406 0.000 1.192 90 F CA 0.116 57.832 58.000 -0.474 0.000 1.173 90 F CB -0.177 38.185 39.000 -1.064 0.000 1.402 90 F HN 0.937 nan 8.300 nan 0.000 0.595 91 G N 1.850 110.563 108.800 -0.144 0.000 5.218 91 G HA2 -0.477 3.476 3.960 -0.012 0.000 0.342 91 G HA3 -0.477 3.476 3.960 -0.012 0.000 0.342 91 G C 1.252 176.113 174.900 -0.065 0.000 1.391 91 G CA 1.316 46.365 45.100 -0.084 0.000 1.096 91 G HN 0.581 nan 8.290 nan 0.000 0.831 92 T N -0.622 113.897 114.554 -0.058 0.000 3.028 92 T HA 0.331 4.674 4.350 -0.012 0.000 0.250 92 T C 0.931 175.621 174.700 -0.018 0.000 0.979 92 T CA 1.324 63.409 62.100 -0.026 0.000 1.004 92 T CB 0.083 68.950 68.868 -0.001 0.000 1.120 92 T HN 0.603 nan 8.240 nan 0.000 0.482 93 Q N 2.138 121.920 119.800 -0.031 0.000 2.313 93 Q HA 0.456 4.788 4.340 -0.012 0.000 0.266 93 Q C -0.779 175.238 176.000 0.028 0.000 0.989 93 Q CA -0.060 55.748 55.803 0.008 0.000 0.890 93 Q CB 1.272 30.041 28.738 0.051 0.000 1.200 93 Q HN 0.273 nan 8.270 nan 0.000 0.396 94 V N 5.316 125.258 119.914 0.047 0.000 2.513 94 V HA 0.723 4.835 4.120 -0.012 0.000 0.299 94 V C -1.297 174.838 176.094 0.068 0.000 1.035 94 V CA -0.547 61.790 62.300 0.060 0.000 0.889 94 V CB 1.838 33.675 31.823 0.024 0.000 0.988 94 V HN 0.652 nan 8.190 nan 0.000 0.440 95 V N 7.138 127.111 119.914 0.099 0.000 2.531 95 V HA 0.614 4.726 4.120 -0.012 0.000 0.301 95 V C -0.421 175.694 176.094 0.034 0.000 1.034 95 V CA -0.533 61.801 62.300 0.056 0.000 0.865 95 V CB 1.710 33.573 31.823 0.067 0.000 0.995 95 V HN 1.043 nan 8.190 nan 0.000 0.424 96 E N 3.303 123.496 120.200 -0.011 0.000 2.369 96 E HA 0.894 5.237 4.350 -0.012 0.000 0.270 96 E C -1.298 175.265 176.600 -0.063 0.000 0.909 96 E CA -1.360 55.023 56.400 -0.029 0.000 0.775 96 E CB 3.112 32.793 29.700 -0.031 0.000 1.270 96 E HN 0.340 nan 8.360 nan 0.000 0.445 97 K N 1.018 121.376 120.400 -0.070 0.000 2.535 97 K HA 0.316 4.628 4.320 -0.012 0.000 0.251 97 K C -1.915 174.616 176.600 -0.115 0.000 0.942 97 K CA -0.720 55.513 56.287 -0.090 0.000 0.798 97 K CB 2.330 34.793 32.500 -0.063 0.000 1.267 97 K HN 0.450 nan 8.250 nan 0.000 0.434 98 V N 4.654 124.451 119.914 -0.194 0.000 2.488 98 V HA 0.428 4.541 4.120 -0.012 0.000 0.277 98 V C -0.617 175.455 176.094 -0.037 0.000 1.046 98 V CA -0.427 61.718 62.300 -0.259 0.000 0.986 98 V CB 1.319 32.731 31.823 -0.684 0.000 0.989 98 V HN 0.530 nan 8.190 nan 0.000 0.475 99 V N 6.555 126.525 119.914 0.094 0.000 2.577 99 V HA 0.349 4.462 4.120 -0.012 0.000 0.303 99 V C -0.194 176.036 176.094 0.227 0.000 1.042 99 V CA -0.831 61.562 62.300 0.155 0.000 0.872 99 V CB 1.832 33.713 31.823 0.098 0.000 0.998 99 V HN 0.715 nan 8.190 nan 0.000 0.423 100 L N 6.324 127.645 121.223 0.163 0.000 2.506 100 L HA 0.340 4.673 4.340 -0.012 0.000 0.281 100 L C -0.212 176.564 176.870 -0.156 0.000 1.228 100 L CA 1.007 55.733 54.840 -0.190 0.000 0.850 100 L CB 0.846 42.805 42.059 -0.166 0.000 1.110 100 L HN 0.452 nan 8.230 nan 0.000 0.496 101 V N 3.778 123.532 119.914 -0.266 0.000 2.823 101 V HA 0.731 4.844 4.120 -0.012 0.000 0.312 101 V C -0.390 175.584 176.094 -0.201 0.000 1.072 101 V CA -0.186 62.008 62.300 -0.177 0.000 0.937 101 V CB 2.151 33.885 31.823 -0.148 0.000 1.013 101 V HN 1.012 nan 8.190 nan 0.000 0.430 102 S N 3.882 119.474 115.700 -0.180 0.000 2.536 102 S HA 0.555 5.017 4.470 -0.012 0.000 0.287 102 S C 0.057 174.553 174.600 -0.174 0.000 1.101 102 S CA -0.740 57.363 58.200 -0.161 0.000 0.950 102 S CB 1.698 64.819 63.200 -0.132 0.000 1.056 102 S HN 0.379 nan 8.310 nan 0.000 0.481 103 L N 1.123 122.265 121.223 -0.134 0.000 2.446 103 L HA 0.241 4.574 4.340 -0.012 0.000 0.219 103 L C 1.088 177.890 176.870 -0.114 0.000 1.116 103 L CA 0.743 55.509 54.840 -0.124 0.000 0.844 103 L CB -1.949 40.069 42.059 -0.068 0.000 0.970 103 L HN 0.806 nan 8.230 nan 0.000 0.457 104 Q N 0.837 120.578 119.800 -0.099 0.000 3.186 104 Q HA -0.126 4.207 4.340 -0.012 0.000 0.346 104 Q C 1.348 177.243 176.000 -0.174 0.000 1.137 104 Q CA 0.229 55.977 55.803 -0.090 0.000 1.199 104 Q CB -0.089 28.591 28.738 -0.098 0.000 0.986 104 Q HN 0.234 nan 8.270 nan 0.000 0.426 105 S N 0.835 116.424 115.700 -0.186 0.000 2.561 105 S HA 0.252 4.715 4.470 -0.012 0.000 0.225 105 S C 0.945 175.334 174.600 -0.351 0.000 0.977 105 S CA 0.181 58.166 58.200 -0.358 0.000 0.926 105 S CB 0.293 63.105 63.200 -0.648 0.000 0.769 105 S HN 0.865 nan 8.310 nan 0.000 0.533 106 G N 0.043 108.689 108.800 -0.257 0.000 2.384 106 G HA2 0.233 4.186 3.960 -0.012 0.000 0.113 106 G HA3 0.233 4.186 3.960 -0.012 0.000 0.113 106 G C -1.862 172.769 174.900 -0.449 0.000 1.224 106 G CA -0.929 43.987 45.100 -0.305 0.000 1.126 106 G HN 0.210 nan 8.290 nan 0.000 0.461 107 Y N -0.618 119.741 120.300 0.099 0.000 2.609 107 Y HA 0.840 5.380 4.550 -0.015 0.000 0.342 107 Y C 0.109 175.551 175.900 -0.764 0.000 1.058 107 Y CA -0.969 56.893 58.100 -0.396 0.000 1.055 107 Y CB 2.138 40.380 38.460 -0.363 0.000 1.292 107 Y HN 0.504 nan 8.280 nan 0.000 0.476 108 L N 1.861 122.130 121.223 -1.591 0.000 2.401 108 L HA 0.619 4.952 4.340 -0.012 0.000 0.266 108 L C -1.666 174.564 176.870 -1.067 0.000 0.991 108 L CA -0.632 53.552 54.840 -1.093 0.000 0.818 108 L CB 2.008 43.444 42.059 -1.039 0.000 1.321 108 L HN 0.478 nan 8.230 nan 0.000 0.413 109 F N 2.767 122.680 119.950 -0.061 0.000 2.539 109 F HA 0.558 5.079 4.527 -0.010 0.000 0.318 109 F C -0.171 175.756 175.800 0.212 0.000 1.135 109 F CA -0.474 57.585 58.000 0.098 0.000 0.915 109 F CB 1.694 40.757 39.000 0.105 0.000 1.176 109 F HN 0.124 nan 8.300 nan 0.000 0.440 110 I N 3.026 123.791 120.570 0.324 0.000 2.377 110 I HA 0.366 4.528 4.170 -0.012 0.000 0.293 110 I C -0.541 175.755 176.117 0.299 0.000 0.987 110 I CA -0.557 60.901 61.300 0.263 0.000 1.185 110 I CB 1.686 39.801 38.000 0.193 0.000 1.341 110 I HN 0.554 nan 8.210 nan 0.000 0.455 111 Q N 5.675 125.651 119.800 0.294 0.000 2.325 111 Q HA 0.423 4.756 4.340 -0.012 0.000 0.270 111 Q C -1.093 175.053 176.000 0.244 0.000 1.020 111 Q CA -0.670 55.305 55.803 0.287 0.000 0.785 111 Q CB 1.948 30.915 28.738 0.382 0.000 1.259 111 Q HN 0.788 nan 8.270 nan 0.000 0.452 112 T N -0.016 114.675 114.554 0.229 0.000 2.824 112 T HA 0.153 4.495 4.350 -0.012 0.000 0.280 112 T C 1.013 175.849 174.700 0.227 0.000 0.995 112 T CA -0.558 61.680 62.100 0.229 0.000 1.009 112 T CB 1.157 70.151 68.868 0.211 0.000 0.955 112 T HN 0.699 nan 8.240 nan 0.000 0.452 113 D N 2.107 122.644 120.400 0.227 0.000 2.221 113 D HA -0.123 4.510 4.640 -0.012 0.000 0.204 113 D C 0.376 176.738 176.300 0.102 0.000 0.982 113 D CA 1.084 55.182 54.000 0.164 0.000 0.857 113 D CB 0.257 41.141 40.800 0.139 0.000 0.934 113 D HN 0.580 nan 8.370 nan 0.000 0.475 114 K N -1.186 119.251 120.400 0.061 0.000 2.433 114 K HA 0.321 4.633 4.320 -0.012 0.000 0.252 114 K C 0.575 177.152 176.600 -0.039 0.000 1.015 114 K CA -0.319 55.852 56.287 -0.193 0.000 0.860 114 K CB 1.840 33.902 32.500 -0.729 0.000 1.359 114 K HN -0.062 nan 8.250 nan 0.000 0.452 115 T N -2.175 112.368 114.554 -0.019 0.000 3.022 115 T HA 0.304 4.647 4.350 -0.012 0.000 0.250 115 T C 0.703 175.495 174.700 0.153 0.000 1.060 115 T CA -0.030 62.157 62.100 0.144 0.000 1.013 115 T CB 0.059 69.029 68.868 0.169 0.000 0.982 115 T HN 0.514 nan 8.240 nan 0.000 0.508 116 I N 0.165 120.703 120.570 -0.052 0.000 2.722 116 I HA 0.580 4.742 4.170 -0.012 0.000 0.292 116 I C -2.050 174.064 176.117 -0.006 0.000 1.267 116 I CA -1.370 59.978 61.300 0.079 0.000 1.036 116 I CB 2.011 39.966 38.000 -0.075 0.000 1.281 116 I HN 0.054 nan 8.210 nan 0.000 0.423 117 Y N 3.214 123.703 120.300 0.315 0.000 2.609 117 Y HA 0.643 5.185 4.550 -0.013 0.000 0.342 117 Y C 0.083 176.099 175.900 0.194 0.000 1.058 117 Y CA -0.663 57.578 58.100 0.235 0.000 1.055 117 Y CB 2.350 40.859 38.460 0.081 0.000 1.292 117 Y HN 0.536 nan 8.280 nan 0.000 0.476 118 T N -1.282 113.353 114.554 0.136 0.000 2.940 118 T HA 0.573 4.916 4.350 -0.012 0.000 0.288 118 T C -3.041 171.621 174.700 -0.064 0.000 1.033 118 T CA -2.887 59.169 62.100 -0.074 0.000 1.033 118 T CB 1.756 70.418 68.868 -0.343 0.000 1.079 118 T HN 0.131 nan 8.240 nan 0.000 0.496 119 P HA 0.296 nan 4.420 nan 0.000 0.264 119 P C 1.149 178.374 177.300 -0.126 0.000 1.183 119 P CA 1.314 64.350 63.100 -0.106 0.000 0.763 119 P CB 0.239 31.899 31.700 -0.065 0.000 0.807 120 G N 1.656 110.356 108.800 -0.168 0.000 2.254 120 G HA2 -0.221 3.732 3.960 -0.012 0.000 0.225 120 G HA3 -0.221 3.732 3.960 -0.012 0.000 0.225 120 G C 0.305 175.111 174.900 -0.156 0.000 1.003 120 G CA 0.211 45.219 45.100 -0.153 0.000 0.622 120 G HN 0.758 nan 8.290 nan 0.000 0.507 121 S N 0.416 116.031 115.700 -0.142 0.000 2.632 121 S HA 0.682 5.144 4.470 -0.012 0.000 0.271 121 S C 0.106 174.600 174.600 -0.177 0.000 1.260 121 S CA 0.381 58.525 58.200 -0.094 0.000 1.010 121 S CB 1.857 65.070 63.200 0.023 0.000 0.965 121 S HN 0.560 nan 8.310 nan 0.000 0.534 122 T N 1.767 116.245 114.554 -0.126 0.000 2.889 122 T HA 0.388 4.731 4.350 -0.012 0.000 0.291 122 T C -0.146 174.443 174.700 -0.185 0.000 0.995 122 T CA -0.553 61.435 62.100 -0.187 0.000 1.092 122 T CB 0.979 69.783 68.868 -0.107 0.000 0.954 122 T HN 0.515 nan 8.240 nan 0.000 0.506 123 V N 4.739 124.435 119.914 -0.363 0.000 2.461 123 V HA 0.316 4.429 4.120 -0.012 0.000 0.275 123 V C -0.022 176.060 176.094 -0.020 0.000 1.047 123 V CA -0.471 61.531 62.300 -0.496 0.000 0.955 123 V CB 0.604 31.960 31.823 -0.778 0.000 0.988 123 V HN 0.646 nan 8.190 nan 0.000 0.471 124 L N 7.424 128.702 121.223 0.091 0.000 2.307 124 L HA 0.666 4.999 4.340 -0.012 0.000 0.284 124 L C -0.690 176.312 176.870 0.221 0.000 1.023 124 L CA -0.544 54.370 54.840 0.125 0.000 0.810 124 L CB 1.164 43.273 42.059 0.083 0.000 1.231 124 L HN 0.760 nan 8.230 nan 0.000 0.423 125 Y N 0.634 120.914 120.300 -0.033 0.000 2.571 125 Y HA 0.775 5.319 4.550 -0.011 0.000 0.341 125 Y C -1.065 174.793 175.900 -0.070 0.000 1.076 125 Y CA -1.380 56.703 58.100 -0.029 0.000 1.029 125 Y CB 1.518 39.958 38.460 -0.034 0.000 1.308 125 Y HN 0.381 nan 8.280 nan 0.000 0.461 126 R N 2.454 122.941 120.500 -0.022 0.000 2.740 126 R HA 0.713 5.046 4.340 -0.012 0.000 0.282 126 R C -1.589 174.548 176.300 -0.273 0.000 0.969 126 R CA -1.057 54.875 56.100 -0.280 0.000 0.918 126 R CB 2.829 32.865 30.300 -0.440 0.000 1.175 126 R HN 0.752 nan 8.270 nan 0.000 0.464 127 I N 2.276 122.626 120.570 -0.367 0.000 2.433 127 I HA 0.316 4.479 4.170 -0.012 0.000 0.292 127 I C -0.924 174.956 176.117 -0.395 0.000 1.001 127 I CA -0.596 60.551 61.300 -0.256 0.000 1.119 127 I CB 1.252 39.177 38.000 -0.125 0.000 1.289 127 I HN 0.363 nan 8.210 nan 0.000 0.438 128 F N 3.574 123.553 119.950 0.048 0.000 2.361 128 F HA 0.309 4.827 4.527 -0.014 0.000 0.364 128 F C 0.679 176.518 175.800 0.066 0.000 1.120 128 F CA -0.807 57.241 58.000 0.080 0.000 1.102 128 F CB 1.437 40.522 39.000 0.143 0.000 1.183 128 F HN 0.308 nan 8.300 nan 0.000 0.476 129 T N 1.912 116.580 114.554 0.190 0.000 2.832 129 T HA 0.643 4.986 4.350 -0.012 0.000 0.313 129 T C -0.372 174.483 174.700 0.259 0.000 1.035 129 T CA -0.636 61.571 62.100 0.178 0.000 0.950 129 T CB 0.252 69.213 68.868 0.155 0.000 0.984 129 T HN 0.470 nan 8.240 nan 0.000 0.486 130 V N 1.593 121.685 119.914 0.297 0.000 3.046 130 V HA 0.821 4.933 4.120 -0.012 0.000 0.316 130 V C -0.274 175.965 176.094 0.241 0.000 1.104 130 V CA -1.372 61.087 62.300 0.264 0.000 1.006 130 V CB 1.746 33.747 31.823 0.296 0.000 1.058 130 V HN 0.906 nan 8.190 nan 0.000 0.440 131 N N 0.531 119.338 118.700 0.179 0.000 2.514 131 N HA 0.258 4.990 4.740 -0.012 0.000 0.299 131 N C 0.817 176.482 175.510 0.258 0.000 1.292 131 N CA 0.232 53.373 53.050 0.151 0.000 0.963 131 N CB -0.356 38.209 38.487 0.130 0.000 1.124 131 N HN 0.957 nan 8.380 nan 0.000 0.580 132 H N -2.289 116.815 119.070 0.057 0.000 2.543 132 H HA 0.295 4.844 4.556 -0.012 0.000 0.269 132 H C -0.275 175.222 175.328 0.283 0.000 1.005 132 H CA 0.277 56.445 56.048 0.200 0.000 1.146 132 H CB -0.197 29.589 29.762 0.039 0.000 1.353 132 H HN 0.544 nan 8.280 nan 0.000 0.595 133 K N 0.948 121.324 120.400 -0.040 0.000 2.414 133 K HA 0.272 4.584 4.320 -0.012 0.000 0.204 133 K C 0.435 177.088 176.600 0.088 0.000 1.026 133 K CA -0.074 56.200 56.287 -0.020 0.000 1.108 133 K CB 0.642 33.063 32.500 -0.130 0.000 0.855 133 K HN 0.094 nan 8.250 nan 0.000 0.517 134 L N 0.572 121.892 121.223 0.161 0.000 4.179 134 L HA -0.282 4.051 4.340 -0.012 0.000 0.418 134 L C -0.355 176.559 176.870 0.073 0.000 1.168 134 L CA 0.475 55.386 54.840 0.118 0.000 0.972 134 L CB -2.053 39.985 42.059 -0.036 0.000 2.005 134 L HN 0.208 nan 8.230 nan 0.000 0.935 135 L N 0.203 121.469 121.223 0.072 0.000 2.399 135 L HA 0.479 4.812 4.340 -0.012 0.000 0.266 135 L C -1.736 175.181 176.870 0.079 0.000 1.114 135 L CA -1.884 52.989 54.840 0.056 0.000 0.804 135 L CB 0.505 42.584 42.059 0.032 0.000 1.146 135 L HN -0.246 nan 8.230 nan 0.000 0.451 136 P HA 0.164 nan 4.420 nan 0.000 0.271 136 P C -0.937 176.408 177.300 0.074 0.000 1.218 136 P CA -0.088 63.065 63.100 0.088 0.000 0.780 136 P CB 1.274 33.017 31.700 0.073 0.000 0.901 137 V N 2.077 122.044 119.914 0.089 0.000 2.971 137 V HA 0.720 4.832 4.120 -0.012 0.000 0.309 137 V C -0.269 175.870 176.094 0.076 0.000 1.130 137 V CA -0.669 61.670 62.300 0.065 0.000 0.964 137 V CB 2.396 34.246 31.823 0.045 0.000 1.029 137 V HN 0.658 nan 8.190 nan 0.000 0.427 138 G N 5.249 114.079 108.800 0.050 0.000 2.504 138 G HA2 0.678 4.631 3.960 -0.012 0.000 0.326 138 G HA3 0.678 4.631 3.960 -0.012 0.000 0.326 138 G C -0.445 174.488 174.900 0.055 0.000 1.073 138 G CA -0.426 44.705 45.100 0.052 0.000 1.030 138 G HN 0.667 nan 8.290 nan 0.000 0.448 139 R N 1.029 121.591 120.500 0.104 0.000 2.869 139 R HA 0.534 4.867 4.340 -0.012 0.000 0.263 139 R C -0.743 175.639 176.300 0.136 0.000 1.066 139 R CA -0.871 55.300 56.100 0.118 0.000 0.960 139 R CB 1.644 32.024 30.300 0.134 0.000 1.221 139 R HN 0.374 nan 8.270 nan 0.000 0.474 140 T N 1.508 116.138 114.554 0.127 0.000 2.817 140 T HA 0.334 4.677 4.350 -0.012 0.000 0.293 140 T C -0.359 174.404 174.700 0.104 0.000 0.964 140 T CA -0.265 61.887 62.100 0.087 0.000 1.085 140 T CB 0.829 69.733 68.868 0.061 0.000 0.921 140 T HN 0.130 nan 8.240 nan 0.000 0.502 141 V N 4.823 124.734 119.914 -0.006 0.000 2.680 141 V HA 0.514 4.627 4.120 -0.012 0.000 0.309 141 V C -0.448 175.523 176.094 -0.204 0.000 1.052 141 V CA -1.066 61.156 62.300 -0.130 0.000 0.908 141 V CB 1.880 33.594 31.823 -0.182 0.000 1.001 141 V HN 0.709 nan 8.190 nan 0.000 0.431 142 M N 4.613 123.963 119.600 -0.416 0.000 2.180 142 M HA 0.576 5.049 4.480 -0.012 0.000 0.350 142 M C -0.679 175.352 176.300 -0.450 0.000 1.125 142 M CA -0.707 54.289 55.300 -0.507 0.000 1.031 142 M CB 1.284 33.329 32.600 -0.926 0.000 1.623 142 M HN 0.401 nan 8.290 nan 0.000 0.451 143 V N 3.993 123.776 119.914 -0.217 0.000 2.540 143 V HA 0.561 4.674 4.120 -0.012 0.000 0.302 143 V C -0.475 175.579 176.094 -0.067 0.000 1.035 143 V CA -0.929 61.307 62.300 -0.107 0.000 0.873 143 V CB 2.002 33.825 31.823 0.000 0.000 0.992 143 V HN 0.830 nan 8.190 nan 0.000 0.428 144 N N 4.306 122.971 118.700 -0.058 0.000 2.346 144 N HA 0.554 5.287 4.740 -0.012 0.000 0.289 144 N C -1.108 174.333 175.510 -0.115 0.000 1.027 144 N CA -0.826 52.183 53.050 -0.068 0.000 0.864 144 N CB 2.188 40.658 38.487 -0.029 0.000 1.370 144 N HN 0.489 nan 8.380 nan 0.000 0.481 145 I N 1.623 122.072 120.570 -0.203 0.000 2.416 145 I HA 0.137 4.299 4.170 -0.012 0.000 0.288 145 I C 0.412 176.430 176.117 -0.164 0.000 1.051 145 I CA 0.273 61.413 61.300 -0.266 0.000 1.375 145 I CB 0.732 38.312 38.000 -0.700 0.000 1.407 145 I HN 0.639 nan 8.210 nan 0.000 0.516 146 E N 6.007 126.146 120.200 -0.101 0.000 2.234 146 E HA 0.275 4.617 4.350 -0.012 0.000 0.266 146 E C -0.737 175.620 176.600 -0.404 0.000 0.877 146 E CA -0.773 55.514 56.400 -0.187 0.000 0.758 146 E CB 1.609 31.218 29.700 -0.152 0.000 1.170 146 E HN 0.715 nan 8.360 nan 0.000 0.415 147 N N 3.305 121.582 118.700 -0.705 0.000 2.434 147 N HA 0.265 4.997 4.740 -0.012 0.000 0.266 147 N C -2.185 172.745 175.510 -0.968 0.000 1.223 147 N CA -1.620 50.524 53.050 -1.509 0.000 0.972 147 N CB 0.341 38.058 38.487 -1.283 0.000 1.207 147 N HN 0.184 nan 8.380 nan 0.000 0.525 148 P HA -0.123 nan 4.420 nan 0.000 0.223 148 P C 0.291 177.393 177.300 -0.330 0.000 1.144 148 P CA 1.269 64.048 63.100 -0.535 0.000 0.783 148 P CB -0.008 31.461 31.700 -0.386 0.000 0.771 149 E N -1.596 118.414 120.200 -0.316 0.000 2.481 149 E HA 0.220 4.563 4.350 -0.012 0.000 0.198 149 E C 0.924 177.418 176.600 -0.177 0.000 1.027 149 E CA 0.533 56.814 56.400 -0.199 0.000 0.900 149 E CB -0.386 29.224 29.700 -0.151 0.000 0.993 149 E HN 0.123 nan 8.360 nan 0.000 0.482 150 G N 1.429 110.097 108.800 -0.219 0.000 2.159 150 G HA2 -0.116 3.837 3.960 -0.012 0.000 0.170 150 G HA3 -0.116 3.837 3.960 -0.012 0.000 0.170 150 G C -0.134 174.675 174.900 -0.151 0.000 1.007 150 G CA -0.197 44.803 45.100 -0.168 0.000 0.672 150 G HN 0.186 nan 8.290 nan 0.000 0.507 151 I N 2.065 122.525 120.570 -0.184 0.000 2.336 151 I HA 0.362 4.525 4.170 -0.012 0.000 0.292 151 I C -1.874 174.163 176.117 -0.133 0.000 0.991 151 I CA -3.265 57.954 61.300 -0.135 0.000 1.227 151 I CB 0.818 38.748 38.000 -0.117 0.000 1.366 151 I HN -0.122 nan 8.210 nan 0.000 0.466 152 P HA 0.014 nan 4.420 nan 0.000 0.266 152 P C 0.587 177.855 177.300 -0.053 0.000 1.195 152 P CA 0.343 63.401 63.100 -0.071 0.000 0.768 152 P CB 1.234 32.911 31.700 -0.038 0.000 0.838 153 V N -0.702 119.179 119.914 -0.055 0.000 3.356 153 V HA 0.363 4.476 4.120 -0.012 0.000 0.274 153 V C 0.171 176.259 176.094 -0.010 0.000 1.631 153 V CA 0.385 62.691 62.300 0.010 0.000 1.025 153 V CB -0.063 31.831 31.823 0.119 0.000 0.840 153 V HN 0.432 nan 8.190 nan 0.000 0.419 154 K N 0.871 121.203 120.400 -0.113 0.000 2.501 154 K HA 0.634 4.946 4.320 -0.012 0.000 0.252 154 K C -1.355 175.199 176.600 -0.078 0.000 0.934 154 K CA -0.421 55.806 56.287 -0.099 0.000 0.797 154 K CB 2.664 35.019 32.500 -0.240 0.000 1.270 154 K HN 0.478 nan 8.250 nan 0.000 0.431 155 Q N 1.300 121.083 119.800 -0.027 0.000 2.416 155 Q HA 0.462 4.795 4.340 -0.012 0.000 0.279 155 Q C -1.509 174.486 176.000 -0.008 0.000 1.101 155 Q CA -1.015 54.776 55.803 -0.022 0.000 0.830 155 Q CB 2.310 31.044 28.738 -0.007 0.000 1.402 155 Q HN 0.491 nan 8.270 nan 0.000 0.445 156 D N -0.138 120.250 120.400 -0.021 0.000 2.706 156 D HA 0.286 4.919 4.640 -0.012 0.000 0.225 156 D C -1.728 174.544 176.300 -0.046 0.000 1.241 156 D CA -0.160 53.829 54.000 -0.018 0.000 0.784 156 D CB 2.422 43.222 40.800 0.001 0.000 1.521 156 D HN 0.335 nan 8.370 nan 0.000 0.461 157 S N 2.012 117.689 115.700 -0.038 0.000 2.733 157 S HA 0.667 5.129 4.470 -0.012 0.000 0.294 157 S C -1.459 173.118 174.600 -0.038 0.000 1.149 157 S CA -0.657 57.514 58.200 -0.048 0.000 1.034 157 S CB 0.304 63.486 63.200 -0.030 0.000 1.015 157 S HN 0.276 nan 8.310 nan 0.000 0.486 158 L N 2.455 123.649 121.223 -0.048 0.000 2.309 158 L HA 0.693 5.026 4.340 -0.012 0.000 0.261 158 L C 0.203 177.059 176.870 -0.024 0.000 1.021 158 L CA -0.728 54.088 54.840 -0.040 0.000 0.823 158 L CB 1.586 43.609 42.059 -0.060 0.000 1.366 158 L HN 0.648 nan 8.230 nan 0.000 0.423 159 S N -0.630 115.061 115.700 -0.015 0.000 2.519 159 S HA 0.316 4.778 4.470 -0.012 0.000 0.309 159 S C 0.567 175.166 174.600 -0.002 0.000 1.100 159 S CA -0.409 57.793 58.200 0.004 0.000 1.059 159 S CB 0.957 64.163 63.200 0.011 0.000 1.008 159 S HN 0.646 nan 8.310 nan 0.000 0.478 160 S N 3.342 119.049 115.700 0.012 0.000 2.851 160 S HA 0.100 4.562 4.470 -0.012 0.000 0.227 160 S C 0.406 175.017 174.600 0.019 0.000 0.958 160 S CA -0.225 57.981 58.200 0.009 0.000 0.990 160 S CB -0.309 62.908 63.200 0.029 0.000 0.790 160 S HN 0.712 nan 8.310 nan 0.000 0.509 161 Q N 2.495 122.305 119.800 0.017 0.000 2.332 161 Q HA 0.243 4.575 4.340 -0.012 0.000 0.263 161 Q C 0.344 176.348 176.000 0.007 0.000 0.979 161 Q CA 0.439 56.251 55.803 0.016 0.000 0.885 161 Q CB -0.111 28.635 28.738 0.014 0.000 1.218 161 Q HN 0.449 nan 8.270 nan 0.000 0.405 162 N N 2.652 121.357 118.700 0.009 0.000 2.708 162 N HA -0.250 4.483 4.740 -0.012 0.000 0.249 162 N C -0.533 174.977 175.510 0.000 0.000 1.097 162 N CA 0.762 53.814 53.050 0.004 0.000 0.710 162 N CB -0.217 38.270 38.487 0.001 0.000 1.032 162 N HN 0.616 nan 8.380 nan 0.000 0.551 163 Q N 0.209 120.011 119.800 0.004 0.000 2.113 163 Q HA 0.303 4.635 4.340 -0.012 0.000 0.225 163 Q C 0.130 176.134 176.000 0.007 0.000 0.786 163 Q CA -0.243 55.557 55.803 -0.004 0.000 0.989 163 Q CB 0.501 29.231 28.738 -0.013 0.000 1.174 163 Q HN 0.358 nan 8.270 nan 0.000 0.470 164 L N 0.715 121.950 121.223 0.020 0.000 3.660 164 L HA -0.236 4.096 4.340 -0.012 0.000 0.440 164 L C 0.880 177.789 176.870 0.065 0.000 1.262 164 L CA 1.512 56.374 54.840 0.037 0.000 0.837 164 L CB -2.306 39.772 42.059 0.032 0.000 1.689 164 L HN 0.618 nan 8.230 nan 0.000 0.890 165 G N -0.932 107.906 108.800 0.065 0.000 2.244 165 G HA2 -0.312 3.640 3.960 -0.012 0.000 0.274 165 G HA3 -0.312 3.640 3.960 -0.012 0.000 0.274 165 G C 0.405 175.353 174.900 0.080 0.000 1.002 165 G CA 0.557 45.715 45.100 0.097 0.000 0.740 165 G HN 0.503 nan 8.290 nan 0.000 0.516 166 V N 0.642 120.556 119.914 0.001 0.000 2.448 166 V HA 0.604 4.717 4.120 -0.012 0.000 0.295 166 V C 0.369 176.358 176.094 -0.175 0.000 1.025 166 V CA -0.670 61.542 62.300 -0.146 0.000 0.859 166 V CB 1.874 33.646 31.823 -0.085 0.000 0.988 166 V HN 0.243 nan 8.190 nan 0.000 0.431 167 L N 7.904 128.970 121.223 -0.262 0.000 2.337 167 L HA 0.448 4.781 4.340 -0.012 0.000 0.269 167 L C -2.395 174.310 176.870 -0.275 0.000 1.018 167 L CA -1.532 53.178 54.840 -0.216 0.000 0.876 167 L CB 2.298 44.248 42.059 -0.181 0.000 1.236 167 L HN 0.443 nan 8.230 nan 0.000 0.436 168 P HA 0.353 nan 4.420 nan 0.000 0.287 168 P C -1.062 176.047 177.300 -0.319 0.000 1.281 168 P CA -0.113 62.830 63.100 -0.262 0.000 0.781 168 P CB 1.327 32.923 31.700 -0.172 0.000 0.903 169 L N 2.134 123.040 121.223 -0.529 0.000 2.434 169 L HA 0.608 4.940 4.340 -0.012 0.000 0.260 169 L C 0.285 176.720 176.870 -0.725 0.000 0.983 169 L CA -0.707 53.744 54.840 -0.649 0.000 0.820 169 L CB 2.430 43.944 42.059 -0.907 0.000 1.361 169 L HN 0.403 nan 8.230 nan 0.000 0.410 170 S N -0.369 115.166 115.700 -0.275 0.000 2.632 170 S HA 0.784 5.247 4.470 -0.012 0.000 0.289 170 S C -1.896 172.883 174.600 0.298 0.000 1.115 170 S CA -0.678 57.533 58.200 0.019 0.000 0.889 170 S CB 2.610 65.802 63.200 -0.014 0.000 1.116 170 S HN 0.636 nan 8.310 nan 0.000 0.486 171 W N 1.472 122.819 121.300 0.080 0.000 3.211 171 W HA 0.517 5.172 4.660 -0.009 0.000 0.335 171 W C -2.129 174.339 176.519 -0.084 0.000 1.113 171 W CA -0.588 56.765 57.345 0.014 0.000 1.235 171 W CB 1.385 30.857 29.460 0.019 0.000 1.365 171 W HN 0.661 nan 8.180 nan 0.000 0.476 172 D N 5.671 125.662 120.400 -0.682 0.000 2.317 172 D HA 0.252 4.885 4.640 -0.012 0.000 0.252 172 D C 0.200 175.630 176.300 -1.449 0.000 1.174 172 D CA 0.292 53.822 54.000 -0.782 0.000 0.866 172 D CB 0.986 41.531 40.800 -0.426 0.000 1.127 172 D HN 0.285 nan 8.370 nan 0.000 0.467 173 I N 5.064 124.899 120.570 -1.225 0.000 2.396 173 I HA 0.137 4.300 4.170 -0.012 0.000 0.289 173 I C -1.769 173.980 176.117 -0.614 0.000 1.056 173 I CA -1.650 58.926 61.300 -1.207 0.000 1.365 173 I CB 0.611 38.145 38.000 -0.776 0.000 1.407 173 I HN 0.085 nan 8.210 nan 0.000 0.509 174 P HA 0.054 nan 4.420 nan 0.000 0.272 174 P C 0.245 177.466 177.300 -0.132 0.000 1.230 174 P CA -0.207 62.775 63.100 -0.197 0.000 0.788 174 P CB 1.030 32.690 31.700 -0.066 0.000 0.949 175 E N 0.491 120.637 120.200 -0.089 0.000 2.077 175 E HA -0.081 4.261 4.350 -0.012 0.000 0.193 175 E C 0.539 177.126 176.600 -0.022 0.000 0.989 175 E CA 1.129 57.493 56.400 -0.060 0.000 0.800 175 E CB -0.197 29.474 29.700 -0.049 0.000 0.746 175 E HN 0.451 nan 8.360 nan 0.000 0.452 176 L N 0.916 122.141 121.223 0.003 0.000 2.257 176 L HA 0.295 4.628 4.340 -0.012 0.000 0.290 176 L C -0.254 176.661 176.870 0.075 0.000 1.044 176 L CA -0.358 54.503 54.840 0.035 0.000 0.810 176 L CB 1.647 43.727 42.059 0.036 0.000 1.193 176 L HN -0.230 nan 8.230 nan 0.000 0.425 177 V N 3.146 123.123 119.914 0.105 0.000 3.098 177 V HA 0.303 4.415 4.120 -0.012 0.000 0.294 177 V C -0.989 175.253 176.094 0.246 0.000 1.351 177 V CA -0.801 61.618 62.300 0.198 0.000 0.999 177 V CB 2.793 34.699 31.823 0.137 0.000 1.104 177 V HN 0.690 nan 8.190 nan 0.000 0.438 178 N N 3.828 122.749 118.700 0.370 0.000 2.406 178 N HA 0.372 5.105 4.740 -0.012 0.000 0.265 178 N C -0.149 175.602 175.510 0.403 0.000 1.203 178 N CA -0.001 53.224 53.050 0.292 0.000 0.945 178 N CB 0.467 39.051 38.487 0.162 0.000 1.165 178 N HN 0.599 nan 8.380 nan 0.000 0.485 179 M N 1.751 121.505 119.600 0.256 0.000 2.246 179 M HA 0.235 4.708 4.480 -0.012 0.000 0.327 179 M C 1.183 177.617 176.300 0.225 0.000 1.090 179 M CA 1.084 56.530 55.300 0.244 0.000 1.087 179 M CB 0.091 32.781 32.600 0.149 0.000 1.587 179 M HN 0.720 nan 8.290 nan 0.000 0.444 180 G N 1.396 110.343 108.800 0.245 0.000 2.293 180 G HA2 0.010 3.962 3.960 -0.012 0.000 0.282 180 G HA3 0.010 3.962 3.960 -0.012 0.000 0.282 180 G C -1.708 173.299 174.900 0.179 0.000 1.299 180 G CA -1.000 44.189 45.100 0.148 0.000 1.018 180 G HN 0.492 nan 8.290 nan 0.000 0.478 181 Q N 0.387 120.210 119.800 0.038 0.000 2.423 181 Q HA 0.365 4.698 4.340 -0.012 0.000 0.235 181 Q C -0.463 175.456 176.000 -0.134 0.000 1.100 181 Q CA -0.083 55.716 55.803 -0.007 0.000 0.908 181 Q CB 0.210 28.928 28.738 -0.032 0.000 1.312 181 Q HN 0.418 nan 8.270 nan 0.000 0.497 182 W N 1.976 123.023 121.300 -0.421 0.000 2.049 182 W HA 0.279 4.934 4.660 -0.009 0.000 0.356 182 W C 0.390 176.517 176.519 -0.652 0.000 1.323 182 W CA -0.104 56.860 57.345 -0.635 0.000 1.336 182 W CB 0.603 29.428 29.460 -1.059 0.000 1.176 182 W HN 0.214 nan 8.180 nan 0.000 0.623 183 K N 0.977 121.233 120.400 -0.240 0.000 2.498 183 K HA 0.509 4.822 4.320 -0.012 0.000 0.254 183 K C -1.198 175.409 176.600 0.012 0.000 0.933 183 K CA -0.473 55.751 56.287 -0.105 0.000 0.806 183 K CB 1.810 34.252 32.500 -0.097 0.000 1.301 183 K HN 0.231 nan 8.250 nan 0.000 0.432 184 I N 2.726 123.341 120.570 0.074 0.000 2.377 184 I HA 0.457 4.620 4.170 -0.012 0.000 0.293 184 I C -0.459 175.672 176.117 0.023 0.000 0.987 184 I CA -0.805 60.502 61.300 0.012 0.000 1.185 184 I CB 1.711 39.681 38.000 -0.049 0.000 1.341 184 I HN 0.345 nan 8.210 nan 0.000 0.455 185 R N 4.871 125.376 120.500 0.008 0.000 2.468 185 R HA 0.668 5.001 4.340 -0.012 0.000 0.302 185 R C -1.081 175.255 176.300 0.059 0.000 1.041 185 R CA -0.419 55.713 56.100 0.053 0.000 0.899 185 R CB 2.090 32.420 30.300 0.051 0.000 1.167 185 R HN 0.738 nan 8.270 nan 0.000 0.483 186 A N 2.850 125.725 122.820 0.092 0.000 2.355 186 A HA 0.790 5.102 4.320 -0.012 0.000 0.324 186 A C -1.332 176.348 177.584 0.160 0.000 1.117 186 A CA -0.647 51.397 52.037 0.012 0.000 0.785 186 A CB 0.826 19.810 19.000 -0.027 0.000 1.254 186 A HN 0.699 nan 8.150 nan 0.000 0.453 187 Y N -1.333 118.990 120.300 0.038 0.000 2.638 187 Y HA 0.685 5.231 4.550 -0.006 0.000 0.335 187 Y C -1.376 174.528 175.900 0.006 0.000 1.155 187 Y CA -1.744 56.405 58.100 0.081 0.000 1.046 187 Y CB 0.567 39.073 38.460 0.076 0.000 1.303 187 Y HN 0.574 nan 8.280 nan 0.000 0.460 188 Y N 1.853 122.345 120.300 0.319 0.000 2.309 188 Y HA 0.143 4.684 4.550 -0.015 0.000 0.327 188 Y C 1.802 177.849 175.900 0.246 0.000 1.172 188 Y CA 0.175 58.375 58.100 0.167 0.000 1.280 188 Y CB 1.433 39.965 38.460 0.120 0.000 1.234 188 Y HN 0.942 nan 8.280 nan 0.000 0.512 189 E N 1.840 122.224 120.200 0.305 0.000 2.086 189 E HA -0.327 4.015 4.350 -0.012 0.000 0.200 189 E C 1.210 177.948 176.600 0.229 0.000 1.012 189 E CA 1.876 58.425 56.400 0.248 0.000 0.812 189 E CB 0.049 29.835 29.700 0.144 0.000 0.743 189 E HN 0.743 nan 8.360 nan 0.000 0.453 190 N N -0.036 118.769 118.700 0.176 0.000 2.364 190 N HA -0.072 4.661 4.740 -0.012 0.000 0.183 190 N C 0.181 175.750 175.510 0.097 0.000 1.022 190 N CA 0.957 54.069 53.050 0.104 0.000 0.883 190 N CB 0.213 38.723 38.487 0.038 0.000 0.965 190 N HN -0.036 nan 8.380 nan 0.000 0.438 191 S N 0.539 116.335 115.700 0.160 0.000 2.139 191 S HA 0.300 4.763 4.470 -0.012 0.000 0.183 191 S C -2.125 172.515 174.600 0.067 0.000 1.473 191 S CA -1.012 57.250 58.200 0.104 0.000 1.263 191 S CB 1.718 64.988 63.200 0.116 0.000 1.170 191 S HN 0.045 nan 8.310 nan 0.000 0.430 192 P HA -0.153 nan 4.420 nan 0.000 0.225 192 P C 1.594 178.640 177.300 -0.422 0.000 1.148 192 P CA 0.894 63.739 63.100 -0.424 0.000 0.779 192 P CB 0.055 31.555 31.700 -0.334 0.000 0.780 193 Q N -0.419 119.259 119.800 -0.202 0.000 2.444 193 Q HA -0.037 4.295 4.340 -0.012 0.000 0.206 193 Q C 0.432 176.337 176.000 -0.159 0.000 0.948 193 Q CA 0.724 56.426 55.803 -0.170 0.000 0.946 193 Q CB -0.216 28.457 28.738 -0.108 0.000 1.027 193 Q HN 0.320 nan 8.270 nan 0.000 0.513 194 Q N 0.817 120.528 119.800 -0.148 0.000 2.394 194 Q HA 0.460 4.792 4.340 -0.012 0.000 0.261 194 Q C -1.744 174.098 176.000 -0.264 0.000 1.023 194 Q CA -0.379 55.302 55.803 -0.204 0.000 0.720 194 Q CB 1.759 30.421 28.738 -0.126 0.000 1.241 194 Q HN 0.065 nan 8.270 nan 0.000 0.483 195 V N 5.004 124.713 119.914 -0.342 0.000 2.398 195 V HA 0.490 4.603 4.120 -0.012 0.000 0.286 195 V C -0.691 175.186 176.094 -0.361 0.000 1.026 195 V CA -0.432 61.761 62.300 -0.179 0.000 0.868 195 V CB 1.089 32.874 31.823 -0.064 0.000 0.982 195 V HN 0.573 nan 8.190 nan 0.000 0.443 196 F N 2.389 122.361 119.950 0.036 0.000 2.436 196 F HA 0.675 5.203 4.527 0.002 0.000 0.340 196 F C 0.732 176.542 175.800 0.016 0.000 1.113 196 F CA -0.130 57.870 58.000 -0.000 0.000 1.022 196 F CB 1.897 40.860 39.000 -0.063 0.000 1.128 196 F HN 0.427 nan 8.300 nan 0.000 0.466 197 S N 0.522 116.324 115.700 0.170 0.000 2.715 197 S HA 0.890 5.352 4.470 -0.012 0.000 0.307 197 S C -0.808 173.875 174.600 0.137 0.000 1.119 197 S CA -0.902 57.370 58.200 0.120 0.000 0.937 197 S CB 2.254 65.492 63.200 0.063 0.000 1.150 197 S HN 0.553 nan 8.310 nan 0.000 0.521 198 T N 1.034 115.664 114.554 0.127 0.000 2.932 198 T HA 0.419 4.761 4.350 -0.012 0.000 0.318 198 T C -1.336 173.460 174.700 0.160 0.000 1.265 198 T CA -0.889 61.304 62.100 0.156 0.000 1.036 198 T CB 1.667 70.652 68.868 0.194 0.000 1.209 198 T HN 0.541 nan 8.240 nan 0.000 0.484 199 E N 1.092 121.387 120.200 0.158 0.000 2.250 199 E HA 0.715 5.057 4.350 -0.012 0.000 0.269 199 E C -1.064 175.725 176.600 0.315 0.000 1.018 199 E CA -0.819 55.664 56.400 0.138 0.000 0.873 199 E CB 1.391 31.138 29.700 0.078 0.000 1.134 199 E HN 0.615 nan 8.360 nan 0.000 0.403 200 F N -1.457 118.604 119.950 0.186 0.000 2.619 200 F HA 0.463 4.983 4.527 -0.011 0.000 0.308 200 F C -0.772 175.194 175.800 0.276 0.000 1.097 200 F CA -1.161 56.985 58.000 0.244 0.000 0.953 200 F CB 1.203 40.385 39.000 0.303 0.000 1.287 200 F HN 0.272 nan 8.300 nan 0.000 0.446 201 E N 1.987 122.435 120.200 0.412 0.000 2.204 201 E HA 0.643 4.986 4.350 -0.012 0.000 0.276 201 E C -1.707 175.134 176.600 0.402 0.000 0.974 201 E CA -0.928 55.650 56.400 0.297 0.000 0.815 201 E CB 2.043 31.868 29.700 0.209 0.000 1.119 201 E HN 0.664 nan 8.360 nan 0.000 0.393 202 V N 4.805 124.918 119.914 0.333 0.000 2.417 202 V HA 0.498 4.611 4.120 -0.012 0.000 0.291 202 V C -0.154 176.090 176.094 0.251 0.000 1.024 202 V CA -0.498 61.970 62.300 0.280 0.000 0.861 202 V CB 1.485 33.375 31.823 0.112 0.000 0.985 202 V HN 0.682 nan 8.190 nan 0.000 0.436 203 K N 2.768 123.315 120.400 0.245 0.000 2.578 203 K HA 0.518 4.830 4.320 -0.012 0.000 0.287 203 K C -1.339 175.350 176.600 0.148 0.000 1.010 203 K CA -0.782 55.638 56.287 0.221 0.000 0.889 203 K CB 2.571 35.244 32.500 0.289 0.000 1.514 203 K HN 0.712 nan 8.250 nan 0.000 0.424 204 E N 1.770 122.029 120.200 0.098 0.000 2.134 204 E HA 0.311 4.653 4.350 -0.012 0.000 0.278 204 E C -1.476 175.160 176.600 0.061 0.000 0.959 204 E CA -0.562 55.826 56.400 -0.020 0.000 0.783 204 E CB 1.007 30.701 29.700 -0.010 0.000 1.095 204 E HN 0.419 nan 8.360 nan 0.000 0.399 205 Y N -0.368 119.936 120.300 0.005 0.000 2.689 205 Y HA 0.627 5.169 4.550 -0.013 0.000 0.333 205 Y C -1.281 174.612 175.900 -0.013 0.000 1.208 205 Y CA -1.383 56.714 58.100 -0.006 0.000 1.055 205 Y CB 0.526 38.979 38.460 -0.012 0.000 1.304 205 Y HN 0.197 nan 8.280 nan 0.000 0.455 206 V N -0.116 119.951 119.914 0.255 0.000 3.001 206 V HA 0.685 4.797 4.120 -0.012 0.000 0.314 206 V C -0.908 175.329 176.094 0.237 0.000 1.099 206 V CA -1.208 61.211 62.300 0.198 0.000 0.989 206 V CB 1.751 33.620 31.823 0.077 0.000 1.040 206 V HN 0.799 nan 8.190 nan 0.000 0.434 207 L N 4.758 126.081 121.223 0.168 0.000 2.455 207 L HA 0.444 4.777 4.340 -0.012 0.000 0.272 207 L C -1.641 175.243 176.870 0.024 0.000 1.174 207 L CA -1.040 53.836 54.840 0.059 0.000 0.869 207 L CB -0.232 41.847 42.059 0.033 0.000 1.130 207 L HN 0.707 nan 8.230 nan 0.000 0.474 208 P HA 0.126 nan 4.420 nan 0.000 0.272 208 P C 0.234 177.535 177.300 0.002 0.000 1.230 208 P CA -0.340 62.719 63.100 -0.069 0.000 0.788 208 P CB 0.675 32.243 31.700 -0.219 0.000 0.949 209 S N 0.657 116.417 115.700 0.100 0.000 2.501 209 S HA 0.109 4.572 4.470 -0.012 0.000 0.220 209 S C 0.597 175.383 174.600 0.311 0.000 0.997 209 S CA -0.119 58.248 58.200 0.279 0.000 0.919 209 S CB -0.829 62.643 63.200 0.452 0.000 0.778 209 S HN 0.577 nan 8.310 nan 0.000 0.523 210 F N 0.625 120.535 119.950 -0.066 0.000 2.726 210 F HA 0.859 5.379 4.527 -0.012 0.000 0.324 210 F C -1.125 174.578 175.800 -0.162 0.000 1.140 210 F CA -1.236 56.628 58.000 -0.227 0.000 0.964 210 F CB 0.936 39.573 39.000 -0.606 0.000 1.399 210 F HN 0.171 nan 8.300 nan 0.000 0.491 211 E N 0.485 120.648 120.200 -0.061 0.000 2.343 211 E HA 0.719 5.062 4.350 -0.012 0.000 0.270 211 E C -2.112 174.481 176.600 -0.012 0.000 0.895 211 E CA -1.210 55.114 56.400 -0.127 0.000 0.767 211 E CB 2.726 32.397 29.700 -0.048 0.000 1.248 211 E HN 0.552 nan 8.360 nan 0.000 0.440 212 V N 2.683 122.561 119.914 -0.060 0.000 2.531 212 V HA 0.425 4.537 4.120 -0.012 0.000 0.301 212 V C -0.664 175.421 176.094 -0.015 0.000 1.034 212 V CA -0.631 61.667 62.300 -0.003 0.000 0.865 212 V CB 1.348 33.164 31.823 -0.012 0.000 0.995 212 V HN 0.626 nan 8.190 nan 0.000 0.424 213 I N 5.411 125.979 120.570 -0.003 0.000 2.406 213 I HA 0.584 4.747 4.170 -0.012 0.000 0.290 213 I C -0.386 175.726 176.117 -0.009 0.000 0.999 213 I CA -0.875 60.421 61.300 -0.007 0.000 1.124 213 I CB 2.057 40.056 38.000 -0.002 0.000 1.289 213 I HN 0.498 nan 8.210 nan 0.000 0.441 214 V N 3.102 123.009 119.914 -0.013 0.000 2.376 214 V HA 0.645 4.758 4.120 -0.012 0.000 0.287 214 V C -0.753 175.336 176.094 -0.009 0.000 1.015 214 V CA -0.154 62.135 62.300 -0.019 0.000 0.834 214 V CB 1.455 33.255 31.823 -0.039 0.000 1.001 214 V HN 0.655 nan 8.190 nan 0.000 0.428 215 E N 6.723 126.922 120.200 -0.001 0.000 2.224 215 E HA 0.510 4.852 4.350 -0.012 0.000 0.265 215 E C -2.961 173.647 176.600 0.014 0.000 0.878 215 E CA -1.798 54.606 56.400 0.007 0.000 0.759 215 E CB 3.041 32.743 29.700 0.005 0.000 1.164 215 E HN 0.616 nan 8.360 nan 0.000 0.414 216 P HA 0.031 nan 4.420 nan 0.000 0.275 216 P C 0.913 178.205 177.300 -0.014 0.000 1.227 216 P CA -0.114 62.998 63.100 0.021 0.000 0.781 216 P CB 0.732 32.450 31.700 0.030 0.000 0.906 217 T N -0.912 113.629 114.554 -0.022 0.000 2.929 217 T HA -0.060 4.282 4.350 -0.012 0.000 0.271 217 T C 0.491 175.134 174.700 -0.094 0.000 1.085 217 T CA 0.985 63.060 62.100 -0.042 0.000 1.125 217 T CB -0.269 68.581 68.868 -0.031 0.000 0.874 217 T HN 0.456 nan 8.240 nan 0.000 0.494 218 E N 0.292 120.391 120.200 -0.167 0.000 2.256 218 E HA 0.366 4.708 4.350 -0.012 0.000 0.267 218 E C -0.513 175.907 176.600 -0.299 0.000 0.892 218 E CA -0.821 55.381 56.400 -0.330 0.000 0.775 218 E CB 1.870 31.177 29.700 -0.654 0.000 1.207 218 E HN 0.135 nan 8.360 nan 0.000 0.420 219 K N 1.731 122.001 120.400 -0.216 0.000 2.665 219 K HA 0.143 4.455 4.320 -0.012 0.000 0.214 219 K C -0.603 176.086 176.600 0.148 0.000 1.032 219 K CA 0.249 56.540 56.287 0.006 0.000 1.198 219 K CB -0.528 32.027 32.500 0.091 0.000 0.941 219 K HN 0.289 nan 8.250 nan 0.000 0.491 220 F N -3.552 116.425 119.950 0.045 0.000 2.858 220 F HA 0.337 4.856 4.527 -0.013 0.000 0.319 220 F C -1.797 174.086 175.800 0.140 0.000 1.166 220 F CA -1.867 56.172 58.000 0.064 0.000 0.899 220 F CB 0.674 39.674 39.000 -0.000 0.000 1.332 220 F HN -0.185 nan 8.300 nan 0.000 0.461 221 Y N 2.072 122.564 120.300 0.320 0.000 2.331 221 Y HA 0.552 5.094 4.550 -0.013 0.000 0.334 221 Y C -1.634 174.472 175.900 0.342 0.000 0.960 221 Y CA -1.629 56.606 58.100 0.224 0.000 1.130 221 Y CB 0.997 39.503 38.460 0.077 0.000 1.164 221 Y HN 0.720 nan 8.280 nan 0.000 0.458 222 Y N 7.777 127.718 120.300 -0.599 0.000 2.365 222 Y HA 0.268 4.810 4.550 -0.013 0.000 0.340 222 Y C 0.924 176.211 175.900 -1.021 0.000 1.016 222 Y CA -1.484 56.292 58.100 -0.539 0.000 1.196 222 Y CB 0.736 39.096 38.460 -0.166 0.000 1.167 222 Y HN 0.718 nan 8.280 nan 0.000 0.509 223 I N 2.769 122.738 120.570 -1.001 0.000 2.756 223 I HA -0.184 3.979 4.170 -0.012 0.000 0.262 223 I C 0.327 175.911 176.117 -0.889 0.000 1.225 223 I CA 1.100 61.896 61.300 -0.840 0.000 1.472 223 I CB -0.507 37.034 38.000 -0.764 0.000 1.094 223 I HN 0.465 nan 8.210 nan 0.000 0.454 224 Y N 0.936 120.598 120.300 -1.064 0.000 2.468 224 Y HA 0.247 4.790 4.550 -0.012 0.000 0.268 224 Y C 0.754 176.368 175.900 -0.476 0.000 1.177 224 Y CA -1.206 56.453 58.100 -0.735 0.000 1.265 224 Y CB -0.975 37.055 38.460 -0.717 0.000 1.103 224 Y HN 0.226 nan 8.280 nan 0.000 0.522 225 N N 1.841 120.325 118.700 -0.360 0.000 2.405 225 N HA -0.023 4.710 4.740 -0.012 0.000 0.260 225 N C 0.318 175.854 175.510 0.043 0.000 1.152 225 N CA -0.001 53.025 53.050 -0.039 0.000 0.948 225 N CB 0.763 39.244 38.487 -0.011 0.000 1.111 225 N HN 0.400 nan 8.380 nan 0.000 0.485 226 E N 3.275 123.507 120.200 0.055 0.000 2.106 226 E HA -0.175 4.167 4.350 -0.012 0.000 0.192 226 E C 1.016 177.649 176.600 0.055 0.000 0.984 226 E CA 1.112 57.542 56.400 0.051 0.000 0.806 226 E CB 0.105 29.827 29.700 0.037 0.000 0.750 226 E HN 0.567 nan 8.360 nan 0.000 0.458 227 K N 0.625 121.063 120.400 0.064 0.000 2.515 227 K HA 0.032 4.344 4.320 -0.012 0.000 0.196 227 K C 0.961 177.585 176.600 0.041 0.000 1.038 227 K CA 0.399 56.714 56.287 0.046 0.000 0.967 227 K CB -0.115 32.412 32.500 0.045 0.000 0.780 227 K HN 0.260 nan 8.250 nan 0.000 0.483 228 G N 1.455 110.315 108.800 0.100 0.000 2.525 228 G HA2 -0.290 3.662 3.960 -0.012 0.000 0.248 228 G HA3 -0.290 3.662 3.960 -0.012 0.000 0.248 228 G C -1.113 173.836 174.900 0.083 0.000 1.238 228 G CA -0.311 44.807 45.100 0.029 0.000 0.926 228 G HN 0.182 nan 8.290 nan 0.000 0.574 229 L N 0.857 121.985 121.223 -0.159 0.000 2.316 229 L HA 0.747 5.079 4.340 -0.012 0.000 0.280 229 L C 0.170 177.023 176.870 -0.028 0.000 1.006 229 L CA -0.439 54.355 54.840 -0.077 0.000 0.836 229 L CB 1.421 43.349 42.059 -0.220 0.000 1.221 229 L HN 0.748 nan 8.230 nan 0.000 0.418 230 E N 3.260 123.476 120.200 0.027 0.000 2.289 230 E HA 0.510 4.852 4.350 -0.012 0.000 0.278 230 E C -1.432 175.212 176.600 0.073 0.000 1.032 230 E CA -0.363 56.061 56.400 0.041 0.000 0.854 230 E CB 1.139 30.852 29.700 0.020 0.000 1.046 230 E HN 0.521 nan 8.360 nan 0.000 0.409 231 V N 3.730 123.707 119.914 0.104 0.000 2.709 231 V HA 0.319 4.431 4.120 -0.012 0.000 0.308 231 V C -0.494 175.632 176.094 0.052 0.000 1.062 231 V CA -0.722 61.634 62.300 0.093 0.000 0.901 231 V CB 2.471 34.382 31.823 0.146 0.000 1.003 231 V HN 0.747 nan 8.190 nan 0.000 0.425 232 T N 5.836 120.405 114.554 0.025 0.000 2.794 232 T HA 0.586 4.929 4.350 -0.012 0.000 0.280 232 T C -0.478 174.222 174.700 -0.000 0.000 0.987 232 T CA -0.333 61.774 62.100 0.011 0.000 0.993 232 T CB 0.975 69.846 68.868 0.006 0.000 0.939 232 T HN 0.277 nan 8.240 nan 0.000 0.449 233 I N 3.336 123.902 120.570 -0.007 0.000 2.321 233 I HA 0.327 4.489 4.170 -0.012 0.000 0.291 233 I C 0.486 176.593 176.117 -0.015 0.000 0.998 233 I CA -0.466 60.825 61.300 -0.014 0.000 1.227 233 I CB 0.991 38.979 38.000 -0.020 0.000 1.368 233 I HN 0.550 nan 8.210 nan 0.000 0.466 234 T N 5.954 120.502 114.554 -0.011 0.000 2.786 234 T HA 0.709 5.052 4.350 -0.012 0.000 0.283 234 T C -0.094 174.601 174.700 -0.007 0.000 0.992 234 T CA -0.481 61.610 62.100 -0.015 0.000 0.954 234 T CB 1.558 70.421 68.868 -0.009 0.000 0.934 234 T HN 0.702 nan 8.240 nan 0.000 0.440 235 A N 3.964 126.765 122.820 -0.032 0.000 2.331 235 A HA 0.877 5.190 4.320 -0.012 0.000 0.320 235 A C -0.227 177.293 177.584 -0.107 0.000 1.138 235 A CA -0.856 51.168 52.037 -0.023 0.000 0.790 235 A CB 1.050 19.993 19.000 -0.095 0.000 1.206 235 A HN 0.814 nan 8.150 nan 0.000 0.470 236 R N 2.319 122.778 120.500 -0.070 0.000 2.584 236 R HA 0.552 4.885 4.340 -0.012 0.000 0.276 236 R C -1.858 174.347 176.300 -0.158 0.000 1.046 236 R CA -0.614 55.414 56.100 -0.120 0.000 0.906 236 R CB 0.903 31.182 30.300 -0.036 0.000 1.215 236 R HN 0.503 nan 8.270 nan 0.000 0.449 237 F N 4.017 123.856 119.950 -0.184 0.000 2.518 237 F HA 0.114 4.634 4.527 -0.012 0.000 0.359 237 F C 1.595 177.164 175.800 -0.386 0.000 1.118 237 F CA -0.008 57.755 58.000 -0.395 0.000 1.287 237 F CB 0.712 39.097 39.000 -1.026 0.000 1.132 237 F HN 0.500 nan 8.300 nan 0.000 0.587 238 L N 2.756 123.938 121.223 -0.070 0.000 2.353 238 L HA -0.245 4.087 4.340 -0.012 0.000 0.220 238 L C 1.526 178.416 176.870 0.034 0.000 1.133 238 L CA 0.986 55.825 54.840 -0.003 0.000 0.798 238 L CB -0.725 41.369 42.059 0.059 0.000 0.922 238 L HN 0.747 nan 8.230 nan 0.000 0.445 239 Y N -2.468 117.927 120.300 0.159 0.000 2.466 239 Y HA 0.498 5.041 4.550 -0.012 0.000 0.272 239 Y C 1.600 177.554 175.900 0.089 0.000 1.169 239 Y CA 0.056 58.211 58.100 0.092 0.000 1.285 239 Y CB -0.227 38.260 38.460 0.045 0.000 1.078 239 Y HN 0.015 nan 8.280 nan 0.000 0.523 240 G N -0.361 108.449 108.800 0.016 0.000 2.316 240 G HA2 -0.195 3.758 3.960 -0.012 0.000 0.203 240 G HA3 -0.195 3.758 3.960 -0.012 0.000 0.203 240 G C 0.276 175.222 174.900 0.077 0.000 0.999 240 G CA -0.486 44.655 45.100 0.069 0.000 0.649 240 G HN 0.109 nan 8.290 nan 0.000 0.489 241 K N 1.218 121.683 120.400 0.109 0.000 2.180 241 K HA 0.479 4.792 4.320 -0.012 0.000 0.251 241 K C 0.630 177.345 176.600 0.193 0.000 1.014 241 K CA -0.048 56.341 56.287 0.170 0.000 0.913 241 K CB 0.751 33.409 32.500 0.263 0.000 1.008 241 K HN 0.369 nan 8.250 nan 0.000 0.490 242 K N 0.169 120.666 120.400 0.162 0.000 2.090 242 K HA 0.334 4.647 4.320 -0.012 0.000 0.250 242 K C -0.319 176.352 176.600 0.119 0.000 1.004 242 K CA -0.642 55.698 56.287 0.088 0.000 0.919 242 K CB 0.989 33.515 32.500 0.043 0.000 1.045 242 K HN 0.129 nan 8.250 nan 0.000 0.471 243 V N 2.112 121.969 119.914 -0.094 0.000 2.581 243 V HA 0.223 4.336 4.120 -0.012 0.000 0.303 243 V C -0.641 175.333 176.094 -0.201 0.000 1.041 243 V CA -0.714 61.420 62.300 -0.276 0.000 0.907 243 V CB 1.759 33.155 31.823 -0.712 0.000 0.994 243 V HN 0.661 nan 8.190 nan 0.000 0.442 244 E N 2.833 122.922 120.200 -0.185 0.000 2.187 244 E HA 0.771 5.114 4.350 -0.012 0.000 0.268 244 E C 0.131 176.389 176.600 -0.570 0.000 0.896 244 E CA -0.206 56.065 56.400 -0.216 0.000 0.766 244 E CB 2.322 32.025 29.700 0.006 0.000 1.142 244 E HN 0.936 nan 8.360 nan 0.000 0.408 245 G N 1.296 109.661 108.800 -0.725 0.000 2.335 245 G HA2 0.289 4.242 3.960 -0.012 0.000 0.291 245 G HA3 0.289 4.242 3.960 -0.012 0.000 0.291 245 G C -1.205 173.440 174.900 -0.425 0.000 1.261 245 G CA -0.568 43.977 45.100 -0.925 0.000 0.871 245 G HN 0.317 nan 8.290 nan 0.000 0.491 246 T N 0.183 114.581 114.554 -0.260 0.000 2.863 246 T HA 0.783 5.126 4.350 -0.012 0.000 0.285 246 T C -0.247 174.302 174.700 -0.252 0.000 1.009 246 T CA 0.268 62.243 62.100 -0.209 0.000 0.989 246 T CB 1.678 70.433 68.868 -0.188 0.000 1.004 246 T HN 1.557 nan 8.240 nan 0.000 0.455 247 A N 2.258 124.886 122.820 -0.320 0.000 2.371 247 A HA 0.819 5.131 4.320 -0.012 0.000 0.311 247 A C -1.279 176.081 177.584 -0.372 0.000 1.068 247 A CA -0.762 51.136 52.037 -0.232 0.000 0.744 247 A CB 0.684 19.624 19.000 -0.100 0.000 1.239 247 A HN 0.742 nan 8.150 nan 0.000 0.435 248 F N 2.351 122.303 119.950 0.003 0.000 2.361 248 F HA 0.491 5.011 4.527 -0.012 0.000 0.364 248 F C 0.515 176.302 175.800 -0.021 0.000 1.117 248 F CA -0.654 57.347 58.000 0.002 0.000 1.071 248 F CB 1.922 40.926 39.000 0.007 0.000 1.188 248 F HN 0.484 nan 8.300 nan 0.000 0.464 249 V N 3.374 123.353 119.914 0.107 0.000 2.667 249 V HA 0.798 4.911 4.120 -0.012 0.000 0.308 249 V C -0.841 175.250 176.094 -0.005 0.000 1.048 249 V CA -0.851 61.442 62.300 -0.010 0.000 0.928 249 V CB 2.060 33.826 31.823 -0.095 0.000 1.004 249 V HN 0.782 nan 8.190 nan 0.000 0.444 250 I N 3.270 123.758 120.570 -0.136 0.000 2.722 250 I HA 0.623 4.786 4.170 -0.012 0.000 0.292 250 I C -1.510 174.503 176.117 -0.173 0.000 1.267 250 I CA -0.487 60.795 61.300 -0.029 0.000 1.036 250 I CB 1.904 39.931 38.000 0.046 0.000 1.281 250 I HN 0.748 nan 8.210 nan 0.000 0.423 251 F N 4.592 124.500 119.950 -0.071 0.000 2.461 251 F HA 0.922 5.441 4.527 -0.013 0.000 0.332 251 F C 0.870 176.469 175.800 -0.335 0.000 1.073 251 F CA -0.395 57.493 58.000 -0.187 0.000 1.017 251 F CB 1.996 40.883 39.000 -0.188 0.000 1.301 251 F HN 0.452 nan 8.300 nan 0.000 0.492 252 G N 0.341 108.845 108.800 -0.492 0.000 2.667 252 G HA2 0.571 4.524 3.960 -0.012 0.000 0.294 252 G HA3 0.571 4.524 3.960 -0.012 0.000 0.294 252 G C -2.045 172.388 174.900 -0.779 0.000 1.467 252 G CA -0.796 43.832 45.100 -0.787 0.000 0.852 252 G HN 0.441 nan 8.290 nan 0.000 0.521 253 I N 0.057 120.442 120.570 -0.309 0.000 2.428 253 I HA 0.600 4.762 4.170 -0.012 0.000 0.296 253 I C 0.242 176.414 176.117 0.091 0.000 0.985 253 I CA -0.700 60.539 61.300 -0.102 0.000 1.260 253 I CB 2.016 39.992 38.000 -0.040 0.000 1.389 253 I HN 0.497 nan 8.210 nan 0.000 0.484 254 Q N 3.702 123.596 119.800 0.156 0.000 2.340 254 Q HA 0.489 4.822 4.340 -0.012 0.000 0.268 254 Q C -1.817 174.250 176.000 0.111 0.000 1.031 254 Q CA -0.657 55.267 55.803 0.201 0.000 0.804 254 Q CB 1.934 30.833 28.738 0.268 0.000 1.286 254 Q HN 0.697 nan 8.270 nan 0.000 0.448 255 D N 2.805 123.256 120.400 0.086 0.000 2.686 255 D HA 0.381 5.013 4.640 -0.012 0.000 0.249 255 D C 0.804 177.133 176.300 0.048 0.000 1.260 255 D CA 0.591 54.626 54.000 0.058 0.000 0.910 255 D CB 1.246 42.073 40.800 0.046 0.000 1.323 255 D HN 0.723 nan 8.370 nan 0.000 0.561 256 G N 4.837 113.662 108.800 0.041 0.000 2.868 256 G HA2 -0.423 3.530 3.960 -0.012 0.000 0.368 256 G HA3 -0.423 3.530 3.960 -0.012 0.000 0.368 256 G C 0.790 175.710 174.900 0.033 0.000 1.209 256 G CA 1.572 46.693 45.100 0.034 0.000 1.065 256 G HN 0.568 nan 8.290 nan 0.000 0.679 257 E N 0.233 120.449 120.200 0.027 0.000 2.601 257 E HA 0.268 4.611 4.350 -0.012 0.000 0.219 257 E C 0.974 177.587 176.600 0.023 0.000 0.964 257 E CA -0.033 56.377 56.400 0.017 0.000 1.050 257 E CB 0.638 30.342 29.700 0.006 0.000 1.068 257 E HN 0.534 nan 8.360 nan 0.000 0.496 258 Q N 1.998 121.819 119.800 0.036 0.000 2.296 258 Q HA 0.169 4.501 4.340 -0.012 0.000 0.263 258 Q C -0.575 175.472 176.000 0.078 0.000 1.026 258 Q CA 0.071 55.901 55.803 0.044 0.000 0.912 258 Q CB 0.452 29.214 28.738 0.040 0.000 1.198 258 Q HN 0.032 nan 8.270 nan 0.000 0.407 259 R N 4.205 124.755 120.500 0.084 0.000 2.229 259 R HA 0.400 4.733 4.340 -0.012 0.000 0.332 259 R C -0.662 175.735 176.300 0.162 0.000 0.989 259 R CA -0.584 55.616 56.100 0.168 0.000 0.842 259 R CB 0.952 31.303 30.300 0.085 0.000 1.119 259 R HN 0.519 nan 8.270 nan 0.000 0.456 260 I N 2.328 123.001 120.570 0.173 0.000 2.390 260 I HA 0.128 4.290 4.170 -0.012 0.000 0.283 260 I C 0.560 176.727 176.117 0.083 0.000 1.016 260 I CA -0.309 61.050 61.300 0.098 0.000 1.151 260 I CB 1.121 39.153 38.000 0.052 0.000 1.293 260 I HN 0.503 nan 8.210 nan 0.000 0.458 261 S N 6.565 122.325 115.700 0.101 0.000 2.579 261 S HA 0.467 4.930 4.470 -0.012 0.000 0.275 261 S C -0.058 174.554 174.600 0.020 0.000 1.345 261 S CA -0.182 58.061 58.200 0.072 0.000 1.031 261 S CB 0.391 63.649 63.200 0.096 0.000 0.892 261 S HN 0.433 nan 8.310 nan 0.000 0.529 262 L N 6.163 127.389 121.223 0.005 0.000 2.356 262 L HA 0.345 4.678 4.340 -0.012 0.000 0.264 262 L C -1.888 174.999 176.870 0.028 0.000 1.029 262 L CA -1.627 53.215 54.840 0.002 0.000 0.897 262 L CB 1.422 43.466 42.059 -0.024 0.000 1.256 262 L HN 0.495 nan 8.230 nan 0.000 0.444 263 P HA -0.174 nan 4.420 nan 0.000 0.218 263 P C 1.204 178.525 177.300 0.036 0.000 1.149 263 P CA 0.928 64.049 63.100 0.034 0.000 0.817 263 P CB 0.360 32.075 31.700 0.025 0.000 0.785 264 E N -0.062 120.150 120.200 0.020 0.000 2.472 264 E HA -0.105 4.238 4.350 -0.012 0.000 0.200 264 E C 1.511 178.121 176.600 0.017 0.000 1.046 264 E CA 0.889 57.297 56.400 0.013 0.000 0.871 264 E CB -0.055 29.643 29.700 -0.004 0.000 0.806 264 E HN 0.274 nan 8.360 nan 0.000 0.533 265 S N -0.061 115.662 115.700 0.039 0.000 2.478 265 S HA -0.048 4.414 4.470 -0.012 0.000 0.222 265 S C 0.913 175.604 174.600 0.152 0.000 1.008 265 S CA -0.409 57.833 58.200 0.070 0.000 0.928 265 S CB -0.207 63.062 63.200 0.114 0.000 0.781 265 S HN 0.225 nan 8.310 nan 0.000 0.518 266 L N 3.400 124.702 121.223 0.132 0.000 2.628 266 L HA 0.230 4.562 4.340 -0.012 0.000 0.274 266 L C -0.339 176.610 176.870 0.131 0.000 1.209 266 L CA 0.633 55.557 54.840 0.140 0.000 0.930 266 L CB 0.070 42.197 42.059 0.115 0.000 1.183 266 L HN 0.094 nan 8.230 nan 0.000 0.492 267 K N 5.461 125.945 120.400 0.141 0.000 2.306 267 K HA 0.523 4.835 4.320 -0.012 0.000 0.236 267 K C -0.887 175.755 176.600 0.070 0.000 1.013 267 K CA -0.852 55.493 56.287 0.097 0.000 0.857 267 K CB 1.910 34.463 32.500 0.088 0.000 1.214 267 K HN 0.593 nan 8.250 nan 0.000 0.449 268 R N 2.150 122.647 120.500 -0.005 0.000 2.468 268 R HA 0.354 4.686 4.340 -0.012 0.000 0.302 268 R C -0.551 175.663 176.300 -0.143 0.000 1.041 268 R CA -0.317 55.689 56.100 -0.157 0.000 0.899 268 R CB 0.375 30.586 30.300 -0.149 0.000 1.167 268 R HN 0.745 nan 8.270 nan 0.000 0.483 269 I N 0.741 121.215 120.570 -0.160 0.000 2.648 269 I HA 0.728 4.890 4.170 -0.012 0.000 0.304 269 I C -2.617 173.432 176.117 -0.113 0.000 1.009 269 I CA -3.158 58.083 61.300 -0.098 0.000 1.114 269 I CB 2.163 40.130 38.000 -0.056 0.000 1.293 269 I HN 0.312 nan 8.210 nan 0.000 0.449 270 P HA 0.354 nan 4.420 nan 0.000 0.284 270 P C -0.910 176.358 177.300 -0.053 0.000 1.253 270 P CA -0.293 62.783 63.100 -0.040 0.000 0.800 270 P CB 0.889 32.590 31.700 0.001 0.000 0.961 271 I N 2.878 123.400 120.570 -0.079 0.000 2.306 271 I HA 0.294 4.457 4.170 -0.012 0.000 0.288 271 I C 0.498 176.574 176.117 -0.069 0.000 1.036 271 I CA -0.252 60.992 61.300 -0.093 0.000 1.221 271 I CB 0.079 37.988 38.000 -0.151 0.000 1.385 271 I HN 0.338 nan 8.210 nan 0.000 0.472 272 E N 4.064 124.244 120.200 -0.034 0.000 2.199 272 E HA 0.229 4.571 4.350 -0.012 0.000 0.269 272 E C -0.372 176.219 176.600 -0.016 0.000 0.899 272 E CA -0.545 55.849 56.400 -0.009 0.000 0.772 272 E CB 1.382 31.087 29.700 0.008 0.000 1.155 272 E HN 0.445 nan 8.360 nan 0.000 0.408 273 D N 2.078 122.474 120.400 -0.006 0.000 2.751 273 D HA -0.195 4.438 4.640 -0.012 0.000 0.233 273 D C 0.626 176.915 176.300 -0.018 0.000 1.149 273 D CA 1.663 55.661 54.000 -0.002 0.000 0.682 273 D CB -1.127 39.675 40.800 0.003 0.000 1.068 273 D HN 0.898 nan 8.370 nan 0.000 0.429 274 G N -1.490 107.282 108.800 -0.046 0.000 2.179 274 G HA2 -0.221 3.731 3.960 -0.012 0.000 0.257 274 G HA3 -0.221 3.731 3.960 -0.012 0.000 0.257 274 G C 0.255 175.120 174.900 -0.058 0.000 1.010 274 G CA 0.862 45.918 45.100 -0.072 0.000 0.736 274 G HN 0.967 nan 8.290 nan 0.000 0.513 275 S N -1.655 114.017 115.700 -0.047 0.000 2.579 275 S HA 0.896 5.358 4.470 -0.012 0.000 0.272 275 S C -0.092 174.489 174.600 -0.032 0.000 1.141 275 S CA 0.524 58.705 58.200 -0.032 0.000 0.843 275 S CB 1.981 65.170 63.200 -0.018 0.000 1.122 275 S HN 1.872 nan 8.310 nan 0.000 0.468 276 G N 1.570 110.355 108.800 -0.024 0.000 2.655 276 G HA2 0.528 4.481 3.960 -0.012 0.000 0.296 276 G HA3 0.528 4.481 3.960 -0.012 0.000 0.296 276 G C -2.076 172.819 174.900 -0.008 0.000 1.485 276 G CA -0.553 44.535 45.100 -0.021 0.000 0.869 276 G HN 0.569 nan 8.290 nan 0.000 0.540 277 E N -0.936 119.264 120.200 0.000 0.000 2.249 277 E HA 0.755 5.098 4.350 -0.012 0.000 0.263 277 E C -1.079 175.538 176.600 0.028 0.000 0.950 277 E CA -1.052 55.357 56.400 0.015 0.000 0.827 277 E CB 3.122 32.830 29.700 0.013 0.000 1.220 277 E HN 0.692 nan 8.360 nan 0.000 0.411 278 V N 1.218 121.166 119.914 0.057 0.000 3.036 278 V HA 0.365 4.478 4.120 -0.012 0.000 0.288 278 V C -1.973 174.198 176.094 0.128 0.000 1.407 278 V CA -0.567 61.789 62.300 0.094 0.000 0.983 278 V CB 2.003 33.901 31.823 0.126 0.000 1.128 278 V HN 0.418 nan 8.190 nan 0.000 0.439 279 V N 6.379 126.332 119.914 0.066 0.000 2.604 279 V HA 0.550 4.663 4.120 -0.012 0.000 0.305 279 V C -0.385 175.562 176.094 -0.246 0.000 1.043 279 V CA -0.690 61.582 62.300 -0.045 0.000 0.888 279 V CB 1.673 33.463 31.823 -0.055 0.000 0.995 279 V HN 0.918 nan 8.190 nan 0.000 0.429 280 L N 4.799 125.642 121.223 -0.634 0.000 2.283 280 L HA 0.485 4.818 4.340 -0.012 0.000 0.287 280 L C 0.633 177.204 176.870 -0.498 0.000 1.073 280 L CA 0.640 54.907 54.840 -0.955 0.000 0.822 280 L CB 1.118 42.141 42.059 -1.726 0.000 1.186 280 L HN 0.786 nan 8.230 nan 0.000 0.436 281 S N 4.778 120.281 115.700 -0.328 0.000 2.560 281 S HA 0.106 4.568 4.470 -0.012 0.000 0.284 281 S C 1.345 175.820 174.600 -0.209 0.000 1.327 281 S CA -0.007 58.073 58.200 -0.201 0.000 1.055 281 S CB 0.441 63.563 63.200 -0.131 0.000 0.868 281 S HN 0.896 nan 8.310 nan 0.000 0.506 282 R N 2.856 123.277 120.500 -0.132 0.000 2.148 282 R HA -0.033 4.300 4.340 -0.012 0.000 0.227 282 R C 2.140 178.394 176.300 -0.077 0.000 1.103 282 R CA 1.433 57.477 56.100 -0.095 0.000 0.983 282 R CB -0.187 30.122 30.300 0.013 0.000 0.874 282 R HN 0.801 nan 8.270 nan 0.000 0.451 283 K N -0.152 120.207 120.400 -0.068 0.000 2.062 283 K HA -0.055 4.258 4.320 -0.012 0.000 0.205 283 K C 1.797 178.357 176.600 -0.066 0.000 1.051 283 K CA 1.084 57.340 56.287 -0.052 0.000 0.941 283 K CB 0.166 32.643 32.500 -0.039 0.000 0.719 283 K HN 0.004 nan 8.250 nan 0.000 0.440 284 V N 1.566 121.424 119.914 -0.093 0.000 2.427 284 V HA -0.224 3.889 4.120 -0.012 0.000 0.248 284 V C 2.169 178.198 176.094 -0.108 0.000 1.051 284 V CA 1.405 63.647 62.300 -0.096 0.000 1.048 284 V CB -0.346 31.407 31.823 -0.118 0.000 0.666 284 V HN 0.357 nan 8.190 nan 0.000 0.456 285 L N -0.347 120.788 121.223 -0.147 0.000 2.023 285 L HA -0.046 4.286 4.340 -0.012 0.000 0.205 285 L C 2.157 178.970 176.870 -0.095 0.000 1.073 285 L CA 1.829 56.577 54.840 -0.154 0.000 0.745 285 L CB -0.551 41.367 42.059 -0.234 0.000 0.900 285 L HN 0.175 nan 8.230 nan 0.000 0.435 286 L N -0.317 120.862 121.223 -0.074 0.000 2.131 286 L HA -0.169 4.164 4.340 -0.012 0.000 0.210 286 L C 1.716 178.565 176.870 -0.035 0.000 1.092 286 L CA 1.068 55.882 54.840 -0.043 0.000 0.759 286 L CB -0.639 41.403 42.059 -0.028 0.000 0.903 286 L HN 0.295 nan 8.230 nan 0.000 0.435 287 D N -0.467 119.910 120.400 -0.039 0.000 2.355 287 D HA -0.026 4.606 4.640 -0.012 0.000 0.218 287 D C 1.936 178.220 176.300 -0.028 0.000 1.004 287 D CA 0.867 54.849 54.000 -0.029 0.000 0.880 287 D CB 0.174 40.958 40.800 -0.028 0.000 0.911 287 D HN 0.312 nan 8.370 nan 0.000 0.528 288 G N -0.062 108.716 108.800 -0.037 0.000 2.939 288 G HA2 0.144 4.096 3.960 -0.012 0.000 0.210 288 G HA3 0.144 4.096 3.960 -0.012 0.000 0.210 288 G C 0.650 175.536 174.900 -0.023 0.000 1.160 288 G CA 0.038 45.119 45.100 -0.032 0.000 0.770 288 G HN 0.077 nan 8.290 nan 0.000 0.543 289 V N -0.236 119.665 119.914 -0.023 0.000 2.881 289 V HA 0.336 4.449 4.120 -0.012 0.000 0.316 289 V C 0.568 176.657 176.094 -0.009 0.000 1.070 289 V CA -0.491 61.801 62.300 -0.014 0.000 0.976 289 V CB 2.052 33.865 31.823 -0.016 0.000 1.038 289 V HN 0.062 nan 8.190 nan 0.000 0.446 290 Q N 1.010 120.808 119.800 -0.004 0.000 2.378 290 Q HA 0.140 4.472 4.340 -0.012 0.000 0.216 290 Q C 1.459 177.459 176.000 0.000 0.000 0.892 290 Q CA 0.605 56.407 55.803 -0.001 0.000 0.931 290 Q CB -0.023 28.716 28.738 0.001 0.000 1.086 290 Q HN 0.764 nan 8.270 nan 0.000 0.528 291 N N -0.556 118.144 118.700 0.000 0.000 2.416 291 N HA 0.083 4.816 4.740 -0.012 0.000 0.177 291 N C 0.374 175.885 175.510 0.001 0.000 1.036 291 N CA 0.316 53.367 53.050 0.002 0.000 0.901 291 N CB 0.270 38.759 38.487 0.003 0.000 0.976 291 N HN 0.038 nan 8.380 nan 0.000 0.444 292 L N -0.774 120.448 121.223 -0.002 0.000 5.459 292 L HA -0.368 3.964 4.340 -0.012 0.000 0.434 292 L C 0.668 177.539 176.870 0.001 0.000 0.928 292 L CA 1.216 56.054 54.840 -0.003 0.000 1.385 292 L CB -0.847 41.210 42.059 -0.002 0.000 1.435 292 L HN 0.278 nan 8.230 nan 0.000 0.641 293 R N 0.643 121.146 120.500 0.004 0.000 2.449 293 R HA 0.291 4.624 4.340 -0.012 0.000 0.296 293 R C 1.354 177.657 176.300 0.005 0.000 1.047 293 R CA 0.654 56.760 56.100 0.010 0.000 1.018 293 R CB 0.911 31.218 30.300 0.012 0.000 0.962 293 R HN 0.229 nan 8.270 nan 0.000 0.428 294 A N 4.084 126.910 122.820 0.010 0.000 2.121 294 A HA -0.107 4.205 4.320 -0.012 0.000 0.218 294 A C 1.298 178.849 177.584 -0.053 0.000 1.154 294 A CA 1.199 53.226 52.037 -0.017 0.000 0.679 294 A CB -0.073 18.928 19.000 0.001 0.000 0.795 294 A HN 0.874 nan 8.150 nan 0.000 0.458 295 E N -0.008 120.183 120.200 -0.015 0.000 2.447 295 E HA 0.004 4.347 4.350 -0.012 0.000 0.195 295 E C 0.706 177.299 176.600 -0.013 0.000 1.028 295 E CA 0.408 56.796 56.400 -0.020 0.000 0.876 295 E CB 0.042 29.760 29.700 0.029 0.000 0.885 295 E HN 0.430 nan 8.360 nan 0.000 0.500 296 D N 0.006 120.403 120.400 -0.005 0.000 2.371 296 D HA -0.030 4.602 4.640 -0.012 0.000 0.221 296 D C 1.146 177.445 176.300 -0.001 0.000 0.986 296 D CA 0.534 54.534 54.000 0.000 0.000 0.899 296 D CB 0.263 41.065 40.800 0.004 0.000 0.902 296 D HN 0.237 nan 8.370 nan 0.000 0.530 297 L N 0.277 121.494 121.223 -0.010 0.000 2.585 297 L HA 0.104 4.437 4.340 -0.012 0.000 0.226 297 L C 0.357 177.230 176.870 0.005 0.000 1.113 297 L CA 0.009 54.849 54.840 -0.000 0.000 0.876 297 L CB 0.481 42.540 42.059 0.000 0.000 1.072 297 L HN -0.217 nan 8.230 nan 0.000 0.468 298 V N 1.161 121.068 119.914 -0.012 0.000 2.479 298 V HA 0.317 4.429 4.120 -0.012 0.000 0.281 298 V C 1.262 177.361 176.094 0.008 0.000 1.031 298 V CA 1.075 63.369 62.300 -0.010 0.000 1.038 298 V CB 0.409 32.218 31.823 -0.025 0.000 0.981 298 V HN 0.636 nan 8.190 nan 0.000 0.478 299 G N 4.488 113.300 108.800 0.020 0.000 2.284 299 G HA2 -0.193 3.760 3.960 -0.012 0.000 0.216 299 G HA3 -0.193 3.760 3.960 -0.012 0.000 0.216 299 G C 0.385 175.309 174.900 0.040 0.000 1.009 299 G CA 0.011 45.127 45.100 0.027 0.000 0.625 299 G HN 0.589 nan 8.290 nan 0.000 0.501 300 K N 0.925 121.351 120.400 0.043 0.000 2.136 300 K HA 0.607 4.919 4.320 -0.012 0.000 0.237 300 K C 0.735 177.378 176.600 0.073 0.000 1.048 300 K CA 0.416 56.735 56.287 0.054 0.000 0.880 300 K CB 0.719 33.245 32.500 0.044 0.000 1.105 300 K HN 0.598 nan 8.250 nan 0.000 0.507 301 S N -0.570 115.181 115.700 0.086 0.000 2.661 301 S HA 0.631 5.093 4.470 -0.012 0.000 0.285 301 S C -1.017 173.641 174.600 0.095 0.000 1.138 301 S CA -1.076 57.188 58.200 0.106 0.000 0.855 301 S CB 0.900 64.173 63.200 0.121 0.000 1.136 301 S HN 0.373 nan 8.310 nan 0.000 0.484 302 L N 1.774 123.056 121.223 0.098 0.000 2.362 302 L HA 0.672 5.005 4.340 -0.012 0.000 0.271 302 L C -1.367 175.565 176.870 0.104 0.000 1.002 302 L CA -1.002 53.855 54.840 0.028 0.000 0.818 302 L CB 1.856 43.927 42.059 0.019 0.000 1.298 302 L HN 0.931 nan 8.230 nan 0.000 0.420 303 Y N 0.852 121.192 120.300 0.068 0.000 2.545 303 Y HA 0.879 5.422 4.550 -0.012 0.000 0.348 303 Y C -1.070 174.802 175.900 -0.047 0.000 1.002 303 Y CA -1.357 56.754 58.100 0.018 0.000 1.039 303 Y CB 1.373 39.835 38.460 0.003 0.000 1.271 303 Y HN 0.153 nan 8.280 nan 0.000 0.467 304 V N 1.847 121.794 119.914 0.054 0.000 2.735 304 V HA 0.718 4.831 4.120 -0.012 0.000 0.310 304 V C -0.727 175.305 176.094 -0.103 0.000 1.061 304 V CA -0.690 61.456 62.300 -0.257 0.000 0.913 304 V CB 1.716 33.291 31.823 -0.413 0.000 1.005 304 V HN 0.921 nan 8.190 nan 0.000 0.428 305 S N 2.467 118.074 115.700 -0.155 0.000 2.594 305 S HA 0.857 5.319 4.470 -0.012 0.000 0.296 305 S C -0.687 173.871 174.600 -0.071 0.000 1.124 305 S CA 0.005 58.171 58.200 -0.058 0.000 1.011 305 S CB 1.486 64.693 63.200 0.012 0.000 1.016 305 S HN 1.470 nan 8.310 nan 0.000 0.485 306 A N 3.801 126.599 122.820 -0.037 0.000 2.343 306 A HA 0.747 5.060 4.320 -0.012 0.000 0.308 306 A C -0.226 177.384 177.584 0.044 0.000 1.092 306 A CA -0.645 51.391 52.037 -0.001 0.000 0.751 306 A CB 1.348 20.335 19.000 -0.021 0.000 1.203 306 A HN 0.725 nan 8.150 nan 0.000 0.452 307 T N 1.819 116.446 114.554 0.122 0.000 2.794 307 T HA 0.560 4.903 4.350 -0.012 0.000 0.280 307 T C -0.508 174.323 174.700 0.219 0.000 0.987 307 T CA -0.335 61.860 62.100 0.159 0.000 0.993 307 T CB 1.283 70.254 68.868 0.171 0.000 0.939 307 T HN 0.466 nan 8.240 nan 0.000 0.449 308 V N 4.838 124.866 119.914 0.190 0.000 2.444 308 V HA 0.505 4.617 4.120 -0.012 0.000 0.294 308 V C -0.361 175.884 176.094 0.252 0.000 1.022 308 V CA -0.821 61.594 62.300 0.192 0.000 0.850 308 V CB 1.335 33.290 31.823 0.219 0.000 0.992 308 V HN 0.792 nan 8.190 nan 0.000 0.426 309 I N 5.216 125.875 120.570 0.149 0.000 2.404 309 I HA 0.448 4.611 4.170 -0.012 0.000 0.293 309 I C -0.106 175.996 176.117 -0.025 0.000 0.992 309 I CA -0.590 60.792 61.300 0.136 0.000 1.149 309 I CB 1.678 39.789 38.000 0.184 0.000 1.315 309 I HN 0.351 nan 8.210 nan 0.000 0.446 310 L N 4.808 126.006 121.223 -0.041 0.000 2.452 310 L HA 0.171 4.504 4.340 -0.012 0.000 0.267 310 L C 1.265 178.101 176.870 -0.057 0.000 1.188 310 L CA -0.170 54.569 54.840 -0.168 0.000 0.821 310 L CB 0.266 42.272 42.059 -0.090 0.000 1.102 310 L HN 0.659 nan 8.230 nan 0.000 0.470 311 H N -0.299 118.767 119.070 -0.007 0.000 2.489 311 H HA -0.139 4.410 4.556 -0.012 0.000 0.293 311 H C 2.134 177.481 175.328 0.032 0.000 1.066 311 H CA 1.103 57.158 56.048 0.011 0.000 1.305 311 H CB 0.254 30.018 29.762 0.002 0.000 1.386 311 H HN 0.773 nan 8.280 nan 0.000 0.551 312 S N -0.768 115.018 115.700 0.145 0.000 2.428 312 S HA -0.015 4.448 4.470 -0.012 0.000 0.230 312 S C 2.172 176.834 174.600 0.103 0.000 1.014 312 S CA 0.600 58.868 58.200 0.113 0.000 0.957 312 S CB -0.138 63.127 63.200 0.108 0.000 0.784 312 S HN 0.657 nan 8.310 nan 0.000 0.499 313 G N 0.723 109.587 108.800 0.106 0.000 2.212 313 G HA2 -0.336 3.617 3.960 -0.012 0.000 0.266 313 G HA3 -0.336 3.617 3.960 -0.012 0.000 0.266 313 G C 0.987 175.949 174.900 0.103 0.000 0.978 313 G CA 0.640 45.802 45.100 0.104 0.000 0.632 313 G HN 0.687 nan 8.290 nan 0.000 0.537 314 S N -0.120 115.645 115.700 0.108 0.000 2.515 314 S HA 0.294 4.757 4.470 -0.012 0.000 0.231 314 S C 0.469 175.145 174.600 0.126 0.000 0.987 314 S CA 1.157 59.421 58.200 0.108 0.000 0.936 314 S CB 0.189 63.453 63.200 0.108 0.000 0.766 314 S HN 0.803 nan 8.310 nan 0.000 0.528 315 D N -0.160 120.335 120.400 0.158 0.000 2.769 315 D HA 0.432 5.065 4.640 -0.012 0.000 0.219 315 D C -0.868 175.574 176.300 0.237 0.000 1.245 315 D CA -0.507 53.604 54.000 0.184 0.000 0.801 315 D CB 1.139 42.083 40.800 0.240 0.000 1.598 315 D HN 0.150 nan 8.370 nan 0.000 0.485 316 M N 1.822 121.516 119.600 0.155 0.000 2.667 316 M HA 0.847 5.319 4.480 -0.012 0.000 0.286 316 M C -1.668 174.605 176.300 -0.045 0.000 1.270 316 M CA -0.915 54.473 55.300 0.146 0.000 0.826 316 M CB 2.480 35.157 32.600 0.129 0.000 1.743 316 M HN 0.224 nan 8.290 nan 0.000 0.460 317 V N 0.462 120.316 119.914 -0.101 0.000 3.077 317 V HA 0.554 4.666 4.120 -0.012 0.000 0.299 317 V C -1.980 174.045 176.094 -0.115 0.000 1.276 317 V CA -0.183 61.979 62.300 -0.230 0.000 0.993 317 V CB 2.761 34.237 31.823 -0.578 0.000 1.076 317 V HN 1.122 nan 8.190 nan 0.000 0.434 318 Q N 2.920 122.662 119.800 -0.098 0.000 2.301 318 Q HA 0.935 5.268 4.340 -0.012 0.000 0.267 318 Q C -0.636 175.324 176.000 -0.066 0.000 1.035 318 Q CA -0.376 55.394 55.803 -0.054 0.000 0.856 318 Q CB 2.288 31.004 28.738 -0.037 0.000 1.337 318 Q HN 1.353 nan 8.270 nan 0.000 0.450 319 A N 1.628 124.421 122.820 -0.045 0.000 2.540 319 A HA 0.551 4.864 4.320 -0.012 0.000 0.297 319 A C -1.702 175.862 177.584 -0.034 0.000 1.056 319 A CA -0.722 51.288 52.037 -0.044 0.000 0.700 319 A CB 1.509 20.483 19.000 -0.043 0.000 1.280 319 A HN 0.772 nan 8.150 nan 0.000 0.398 320 E N 1.243 121.424 120.200 -0.031 0.000 2.275 320 E HA 0.685 5.027 4.350 -0.012 0.000 0.270 320 E C -0.774 175.822 176.600 -0.008 0.000 0.882 320 E CA -0.901 55.486 56.400 -0.021 0.000 0.758 320 E CB 1.845 31.530 29.700 -0.025 0.000 1.195 320 E HN 0.531 nan 8.360 nan 0.000 0.419 321 R N 2.083 122.587 120.500 0.007 0.000 2.312 321 R HA 0.500 4.832 4.340 -0.012 0.000 0.311 321 R C -1.154 175.191 176.300 0.074 0.000 1.004 321 R CA -0.157 55.959 56.100 0.028 0.000 0.902 321 R CB 1.672 31.985 30.300 0.022 0.000 1.073 321 R HN 0.602 nan 8.270 nan 0.000 0.457 322 S N 1.427 117.168 115.700 0.069 0.000 2.689 322 S HA 0.605 5.067 4.470 -0.012 0.000 0.306 322 S C -0.336 174.328 174.600 0.107 0.000 1.104 322 S CA -0.302 57.960 58.200 0.103 0.000 0.973 322 S CB 1.793 65.013 63.200 0.035 0.000 1.121 322 S HN 0.918 nan 8.310 nan 0.000 0.523 323 G N 1.239 110.118 108.800 0.130 0.000 2.356 323 G HA2 -0.232 3.720 3.960 -0.012 0.000 0.296 323 G HA3 -0.232 3.720 3.960 -0.012 0.000 0.296 323 G C -0.172 174.798 174.900 0.116 0.000 1.022 323 G CA -0.023 45.145 45.100 0.112 0.000 0.961 323 G HN 0.602 nan 8.290 nan 0.000 0.510 324 I N 1.460 122.109 120.570 0.132 0.000 2.347 324 I HA 0.187 4.349 4.170 -0.012 0.000 0.294 324 I C -1.772 174.442 176.117 0.162 0.000 1.090 324 I CA -1.988 59.399 61.300 0.144 0.000 1.314 324 I CB 0.851 38.935 38.000 0.141 0.000 1.423 324 I HN -0.040 nan 8.210 nan 0.000 0.503 325 P HA 0.218 nan 4.420 nan 0.000 0.276 325 P C -0.387 177.024 177.300 0.186 0.000 1.230 325 P CA -0.165 63.022 63.100 0.144 0.000 0.776 325 P CB 0.633 32.396 31.700 0.104 0.000 0.888 326 I N 3.429 124.089 120.570 0.150 0.000 2.337 326 I HA 0.246 4.408 4.170 -0.012 0.000 0.291 326 I C 0.725 176.880 176.117 0.063 0.000 1.046 326 I CA -0.489 60.907 61.300 0.160 0.000 1.324 326 I CB 0.568 38.656 38.000 0.147 0.000 1.409 326 I HN 0.150 nan 8.210 nan 0.000 0.494 327 V N 2.188 122.123 119.914 0.036 0.000 3.126 327 V HA 0.608 4.721 4.120 -0.012 0.000 0.314 327 V C 0.488 176.583 176.094 0.002 0.000 1.138 327 V CA -0.399 61.876 62.300 -0.042 0.000 1.034 327 V CB 1.778 33.484 31.823 -0.195 0.000 1.075 327 V HN 0.761 nan 8.190 nan 0.000 0.442 328 T N -2.009 112.544 114.554 -0.001 0.000 3.174 328 T HA 0.486 4.828 4.350 -0.012 0.000 0.269 328 T C 0.292 175.025 174.700 0.054 0.000 1.017 328 T CA 0.404 62.588 62.100 0.140 0.000 0.899 328 T CB -0.445 68.488 68.868 0.108 0.000 1.077 328 T HN 1.547 nan 8.240 nan 0.000 0.552 329 S N 1.234 116.817 115.700 -0.195 0.000 2.579 329 S HA 0.464 4.926 4.470 -0.012 0.000 0.290 329 S C -3.024 171.218 174.600 -0.596 0.000 1.123 329 S CA -0.840 57.159 58.200 -0.335 0.000 0.894 329 S CB 1.776 64.875 63.200 -0.169 0.000 1.095 329 S HN -0.032 nan 8.310 nan 0.000 0.450 330 P HA 0.287 nan 4.420 nan 0.000 0.255 330 P C -1.023 175.628 177.300 -1.082 0.000 1.301 330 P CA 0.392 62.759 63.100 -1.221 0.000 0.817 330 P CB -0.427 30.631 31.700 -1.071 0.000 1.259 331 Y N -1.325 118.772 120.300 -0.339 0.000 2.562 331 Y HA 0.553 5.095 4.550 -0.013 0.000 0.345 331 Y C 0.299 176.045 175.900 -0.256 0.000 1.045 331 Y CA -0.943 57.004 58.100 -0.254 0.000 1.028 331 Y CB 1.686 40.020 38.460 -0.210 0.000 1.297 331 Y HN -0.294 nan 8.280 nan 0.000 0.463 332 Q N 1.521 121.264 119.800 -0.094 0.000 2.387 332 Q HA 0.740 5.073 4.340 -0.012 0.000 0.273 332 Q C -1.451 174.283 176.000 -0.443 0.000 1.089 332 Q CA -0.725 54.910 55.803 -0.281 0.000 0.824 332 Q CB 2.945 31.502 28.738 -0.302 0.000 1.367 332 Q HN 0.590 nan 8.270 nan 0.000 0.443 333 I N 1.640 121.861 120.570 -0.582 0.000 2.433 333 I HA 0.390 4.552 4.170 -0.012 0.000 0.292 333 I C -1.048 174.575 176.117 -0.823 0.000 1.001 333 I CA -0.578 60.363 61.300 -0.597 0.000 1.119 333 I CB 1.401 39.132 38.000 -0.448 0.000 1.289 333 I HN 0.634 nan 8.210 nan 0.000 0.438 334 H N 5.063 123.917 119.070 -0.359 0.000 2.637 334 H HA 0.393 4.942 4.556 -0.012 0.000 0.363 334 H C -0.883 174.255 175.328 -0.318 0.000 1.131 334 H CA -0.455 55.449 56.048 -0.240 0.000 1.183 334 H CB 1.777 31.544 29.762 0.009 0.000 1.637 334 H HN 0.406 nan 8.280 nan 0.000 0.531 335 F N 0.589 120.654 119.950 0.193 0.000 2.772 335 F HA 0.082 4.600 4.527 -0.014 0.000 0.302 335 F C 1.721 177.572 175.800 0.084 0.000 1.136 335 F CA -0.254 57.819 58.000 0.122 0.000 1.322 335 F CB 0.057 39.108 39.000 0.085 0.000 0.967 335 F HN 0.586 nan 8.300 nan 0.000 0.513 336 T N -3.419 111.258 114.554 0.205 0.000 3.035 336 T HA -0.103 4.240 4.350 -0.012 0.000 0.268 336 T C 1.632 176.297 174.700 -0.059 0.000 1.109 336 T CA 0.976 63.109 62.100 0.056 0.000 1.119 336 T CB -0.095 68.772 68.868 -0.003 0.000 0.900 336 T HN 0.181 nan 8.240 nan 0.000 0.503 337 K N 0.782 121.176 120.400 -0.011 0.000 2.358 337 K HA 0.208 4.520 4.320 -0.012 0.000 0.197 337 K C -0.182 176.445 176.600 0.045 0.000 1.025 337 K CA 0.006 56.248 56.287 -0.075 0.000 1.104 337 K CB 0.721 33.202 32.500 -0.031 0.000 0.855 337 K HN 0.211 nan 8.250 nan 0.000 0.531 338 T N 3.578 118.197 114.554 0.109 0.000 2.767 338 T HA 0.251 4.593 4.350 -0.012 0.000 0.284 338 T C -2.630 172.129 174.700 0.100 0.000 0.973 338 T CA -1.871 60.298 62.100 0.113 0.000 0.996 338 T CB 1.493 70.494 68.868 0.222 0.000 0.927 338 T HN -0.053 nan 8.240 nan 0.000 0.456 339 P HA 0.092 nan 4.420 nan 0.000 0.267 339 P C 0.075 177.522 177.300 0.245 0.000 1.200 339 P CA -0.282 62.909 63.100 0.151 0.000 0.772 339 P CB 0.709 32.504 31.700 0.158 0.000 0.855 340 K N 1.803 122.271 120.400 0.114 0.000 2.570 340 K HA 0.178 4.491 4.320 -0.012 0.000 0.210 340 K C -0.454 175.939 176.600 -0.345 0.000 1.048 340 K CA 0.004 56.227 56.287 -0.106 0.000 1.167 340 K CB -0.100 32.231 32.500 -0.281 0.000 0.892 340 K HN 0.505 nan 8.250 nan 0.000 0.480 341 Y N 0.360 120.857 120.300 0.329 0.000 2.470 341 Y HA 0.327 4.869 4.550 -0.014 0.000 0.341 341 Y C -0.123 176.055 175.900 0.464 0.000 1.021 341 Y CA -1.750 56.531 58.100 0.301 0.000 1.025 341 Y CB 1.285 39.871 38.460 0.210 0.000 1.266 341 Y HN 0.012 nan 8.280 nan 0.000 0.448 342 F N -0.436 119.669 119.950 0.259 0.000 2.594 342 F HA 0.923 5.442 4.527 -0.013 0.000 0.335 342 F C -1.093 174.824 175.800 0.195 0.000 1.058 342 F CA -1.546 56.595 58.000 0.235 0.000 0.981 342 F CB 1.295 40.197 39.000 -0.164 0.000 1.289 342 F HN 0.106 nan 8.300 nan 0.000 0.490 343 K N 2.082 122.524 120.400 0.070 0.000 2.404 343 K HA 0.423 4.735 4.320 -0.012 0.000 0.257 343 K C -2.826 173.541 176.600 -0.388 0.000 1.026 343 K CA -1.989 54.124 56.287 -0.290 0.000 0.951 343 K CB 1.048 33.376 32.500 -0.288 0.000 1.203 343 K HN 0.235 nan 8.250 nan 0.000 0.446 344 P HA -0.033 nan 4.420 nan 0.000 0.261 344 P C 0.815 178.016 177.300 -0.166 0.000 1.183 344 P CA 0.967 64.014 63.100 -0.088 0.000 0.761 344 P CB 0.747 32.431 31.700 -0.025 0.000 0.785 345 G N 2.036 110.817 108.800 -0.031 0.000 2.241 345 G HA2 -0.250 3.703 3.960 -0.012 0.000 0.244 345 G HA3 -0.250 3.703 3.960 -0.012 0.000 0.244 345 G C 0.144 174.983 174.900 -0.102 0.000 0.998 345 G CA -0.099 44.958 45.100 -0.072 0.000 0.621 345 G HN 0.462 nan 8.290 nan 0.000 0.519 346 M N 0.885 120.408 119.600 -0.128 0.000 2.573 346 M HA 0.487 4.960 4.480 -0.012 0.000 0.309 346 M C -2.425 173.832 176.300 -0.072 0.000 1.202 346 M CA -2.060 53.162 55.300 -0.129 0.000 0.975 346 M CB 1.185 33.674 32.600 -0.185 0.000 1.600 346 M HN -0.131 nan 8.290 nan 0.000 0.479 347 P HA 0.074 nan 4.420 nan 0.000 0.270 347 P C -1.401 175.913 177.300 0.023 0.000 1.223 347 P CA 0.025 63.071 63.100 -0.090 0.000 0.785 347 P CB 0.327 31.913 31.700 -0.190 0.000 0.923 348 F N 1.841 121.767 119.950 -0.040 0.000 2.460 348 F HA 0.307 4.826 4.527 -0.013 0.000 0.341 348 F C -0.561 175.271 175.800 0.054 0.000 1.130 348 F CA -0.812 57.220 58.000 0.053 0.000 0.962 348 F CB 0.868 39.894 39.000 0.043 0.000 1.171 348 F HN 0.143 nan 8.300 nan 0.000 0.436 349 D N 6.213 126.388 120.400 -0.374 0.000 2.304 349 D HA 0.429 5.062 4.640 -0.012 0.000 0.247 349 D C -0.687 175.285 176.300 -0.546 0.000 1.089 349 D CA 0.142 53.961 54.000 -0.302 0.000 0.910 349 D CB 2.115 42.842 40.800 -0.121 0.000 1.199 349 D HN 0.483 nan 8.370 nan 0.000 0.426 350 L N 1.737 122.826 121.223 -0.224 0.000 2.381 350 L HA 0.318 4.651 4.340 -0.012 0.000 0.274 350 L C -0.371 176.510 176.870 0.017 0.000 0.988 350 L CA -0.627 54.161 54.840 -0.086 0.000 0.824 350 L CB 1.763 43.871 42.059 0.082 0.000 1.263 350 L HN 0.095 nan 8.230 nan 0.000 0.410 351 M N 4.500 124.138 119.600 0.064 0.000 2.385 351 M HA 0.315 4.788 4.480 -0.012 0.000 0.346 351 M C -0.643 175.742 176.300 0.142 0.000 1.180 351 M CA -0.486 54.867 55.300 0.090 0.000 1.154 351 M CB 0.777 33.430 32.600 0.088 0.000 1.251 351 M HN 0.117 nan 8.290 nan 0.000 0.430 352 V N 3.967 123.953 119.914 0.120 0.000 2.455 352 V HA 0.180 4.292 4.120 -0.012 0.000 0.273 352 V C -0.268 175.907 176.094 0.136 0.000 1.045 352 V CA -0.209 62.129 62.300 0.065 0.000 0.976 352 V CB 0.649 32.468 31.823 -0.007 0.000 0.993 352 V HN 0.515 nan 8.190 nan 0.000 0.475 353 F N 6.657 126.577 119.950 -0.050 0.000 2.405 353 F HA 0.574 5.092 4.527 -0.014 0.000 0.355 353 F C -0.120 175.679 175.800 -0.002 0.000 1.121 353 F CA -1.001 57.007 58.000 0.014 0.000 1.112 353 F CB 1.300 40.339 39.000 0.065 0.000 1.126 353 F HN 0.216 nan 8.300 nan 0.000 0.481 354 V N 5.699 125.522 119.914 -0.151 0.000 2.370 354 V HA 0.447 4.560 4.120 -0.012 0.000 0.283 354 V C 0.050 175.900 176.094 -0.406 0.000 1.023 354 V CA -0.492 61.633 62.300 -0.292 0.000 0.857 354 V CB 1.533 33.226 31.823 -0.217 0.000 0.985 354 V HN 0.878 nan 8.190 nan 0.000 0.443 355 T N 1.690 116.028 114.554 -0.360 0.000 2.932 355 T HA 0.487 4.830 4.350 -0.012 0.000 0.289 355 T C -0.177 174.504 174.700 -0.030 0.000 1.039 355 T CA -0.922 61.031 62.100 -0.246 0.000 1.024 355 T CB 1.532 70.243 68.868 -0.262 0.000 1.090 355 T HN 0.455 nan 8.240 nan 0.000 0.496 356 N N 2.236 120.946 118.700 0.016 0.000 2.467 356 N HA 0.212 4.945 4.740 -0.012 0.000 0.262 356 N C -1.758 173.739 175.510 -0.023 0.000 1.234 356 N CA -1.522 51.528 53.050 -0.000 0.000 0.952 356 N CB 1.121 39.641 38.487 0.054 0.000 1.158 356 N HN 0.463 nan 8.380 nan 0.000 0.463 357 P HA -0.150 nan 4.420 nan 0.000 0.220 357 P C 0.520 177.840 177.300 0.033 0.000 1.144 357 P CA 1.238 64.314 63.100 -0.041 0.000 0.800 357 P CB 0.121 31.774 31.700 -0.077 0.000 0.772 358 D N -2.006 118.432 120.400 0.063 0.000 2.355 358 D HA 0.053 4.686 4.640 -0.012 0.000 0.218 358 D C 1.460 177.795 176.300 0.057 0.000 1.004 358 D CA 0.887 54.929 54.000 0.069 0.000 0.880 358 D CB -0.818 40.032 40.800 0.082 0.000 0.911 358 D HN 0.228 nan 8.370 nan 0.000 0.528 359 G N -0.276 108.551 108.800 0.044 0.000 2.195 359 G HA2 -0.233 3.720 3.960 -0.012 0.000 0.224 359 G HA3 -0.233 3.720 3.960 -0.012 0.000 0.224 359 G C 0.311 175.245 174.900 0.056 0.000 0.990 359 G CA 0.180 45.304 45.100 0.039 0.000 0.639 359 G HN 0.799 nan 8.290 nan 0.000 0.514 360 S N 1.520 117.259 115.700 0.065 0.000 2.580 360 S HA 0.660 5.122 4.470 -0.012 0.000 0.274 360 S C -1.896 172.755 174.600 0.085 0.000 1.329 360 S CA -1.041 57.216 58.200 0.096 0.000 1.036 360 S CB 1.979 65.234 63.200 0.092 0.000 0.919 360 S HN 0.321 nan 8.310 nan 0.000 0.515 361 P HA 0.205 nan 4.420 nan 0.000 0.268 361 P C -0.937 176.450 177.300 0.145 0.000 1.205 361 P CA -0.159 63.047 63.100 0.177 0.000 0.771 361 P CB 0.383 32.267 31.700 0.306 0.000 0.858 362 A N 4.129 127.019 122.820 0.118 0.000 2.280 362 A HA 0.288 4.601 4.320 -0.012 0.000 0.320 362 A C -0.370 177.304 177.584 0.150 0.000 1.366 362 A CA -0.772 51.356 52.037 0.152 0.000 0.938 362 A CB -0.482 18.621 19.000 0.172 0.000 1.157 362 A HN 0.611 nan 8.150 nan 0.000 0.536 363 Y N 2.899 123.237 120.300 0.064 0.000 2.497 363 Y HA 0.270 4.812 4.550 -0.013 0.000 0.334 363 Y C 1.146 177.058 175.900 0.020 0.000 1.199 363 Y CA 0.422 58.548 58.100 0.043 0.000 1.425 363 Y CB 0.272 38.760 38.460 0.046 0.000 1.291 363 Y HN 0.845 nan 8.280 nan 0.000 0.562 364 R N 2.681 122.881 120.500 -0.500 0.000 3.333 364 R HA -0.142 4.191 4.340 -0.012 0.000 0.256 364 R C -1.975 174.127 176.300 -0.331 0.000 1.010 364 R CA 0.558 56.297 56.100 -0.601 0.000 0.680 364 R CB -1.537 28.074 30.300 -1.148 0.000 1.102 364 R HN 0.457 nan 8.270 nan 0.000 0.440 365 V N 2.323 122.093 119.914 -0.240 0.000 2.409 365 V HA 0.408 4.521 4.120 -0.012 0.000 0.291 365 V C -1.720 174.236 176.094 -0.229 0.000 1.020 365 V CA -1.550 60.587 62.300 -0.272 0.000 0.848 365 V CB 1.951 33.521 31.823 -0.422 0.000 0.990 365 V HN 0.178 nan 8.190 nan 0.000 0.430 366 P HA 0.315 nan 4.420 nan 0.000 0.275 366 P C -0.839 176.371 177.300 -0.150 0.000 1.227 366 P CA 0.073 63.087 63.100 -0.143 0.000 0.781 366 P CB 1.511 33.144 31.700 -0.112 0.000 0.906 367 V N -1.089 118.762 119.914 -0.104 0.000 3.007 367 V HA 0.989 5.101 4.120 -0.012 0.000 0.311 367 V C -1.011 175.056 176.094 -0.045 0.000 1.120 367 V CA -1.267 60.981 62.300 -0.087 0.000 0.980 367 V CB 1.630 33.402 31.823 -0.085 0.000 1.033 367 V HN 0.818 nan 8.190 nan 0.000 0.429 368 A N 2.004 124.807 122.820 -0.028 0.000 2.606 368 A HA 0.857 5.169 4.320 -0.012 0.000 0.293 368 A C -0.914 176.678 177.584 0.013 0.000 1.082 368 A CA -0.601 51.432 52.037 -0.007 0.000 0.685 368 A CB 1.750 20.741 19.000 -0.015 0.000 1.284 368 A HN 1.564 nan 8.150 nan 0.000 0.408 369 V N 1.681 121.609 119.914 0.023 0.000 2.686 369 V HA 0.210 4.322 4.120 -0.012 0.000 0.295 369 V C 0.890 176.994 176.094 0.016 0.000 1.055 369 V CA -0.228 62.091 62.300 0.033 0.000 1.050 369 V CB 1.387 33.231 31.823 0.035 0.000 0.984 369 V HN 0.902 nan 8.190 nan 0.000 0.482 370 Q N 2.376 122.186 119.800 0.016 0.000 2.244 370 Q HA 0.333 4.666 4.340 -0.012 0.000 0.278 370 Q C 1.027 177.025 176.000 -0.003 0.000 1.093 370 Q CA 0.964 56.770 55.803 0.004 0.000 0.916 370 Q CB 0.150 28.891 28.738 0.005 0.000 1.159 370 Q HN 1.159 nan 8.270 nan 0.000 0.384 371 G N 3.878 112.675 108.800 -0.005 0.000 2.201 371 G HA2 -0.186 3.767 3.960 -0.012 0.000 0.212 371 G HA3 -0.186 3.767 3.960 -0.012 0.000 0.212 371 G C -0.284 174.613 174.900 -0.004 0.000 0.994 371 G CA -0.042 45.054 45.100 -0.007 0.000 0.644 371 G HN 0.646 nan 8.290 nan 0.000 0.508 372 E N 2.169 122.368 120.200 -0.002 0.000 3.374 372 E HA 0.296 4.639 4.350 -0.012 0.000 0.223 372 E C -0.994 175.604 176.600 -0.004 0.000 1.210 372 E CA -0.916 55.483 56.400 -0.001 0.000 0.987 372 E CB 0.749 30.452 29.700 0.004 0.000 1.322 372 E HN 0.353 nan 8.360 nan 0.000 0.404 373 D N 1.780 122.176 120.400 -0.006 0.000 3.269 373 D HA -0.230 4.402 4.640 -0.012 0.000 0.103 373 D C 1.014 177.310 176.300 -0.007 0.000 0.912 373 D CA 1.918 55.914 54.000 -0.007 0.000 0.458 373 D CB 0.102 40.898 40.800 -0.006 0.000 0.932 373 D HN 0.551 nan 8.370 nan 0.000 0.420 374 T N -1.303 113.245 114.554 -0.009 0.000 12.532 374 T HA -0.315 4.027 4.350 -0.012 0.000 0.419 374 T C 0.923 175.617 174.700 -0.010 0.000 1.444 374 T CA 1.543 63.637 62.100 -0.010 0.000 2.384 374 T CB -1.150 67.714 68.868 -0.007 0.000 2.842 374 T HN 0.409 nan 8.240 nan 0.000 0.787 375 V N 5.088 124.998 119.914 -0.007 0.000 2.459 375 V HA 0.266 4.379 4.120 -0.012 0.000 0.255 375 V C 0.527 176.617 176.094 -0.007 0.000 1.015 375 V CA 1.103 63.401 62.300 -0.005 0.000 1.163 375 V CB -1.073 30.750 31.823 0.001 0.000 1.109 375 V HN 0.710 nan 8.190 nan 0.000 0.473 376 Q N 3.569 123.362 119.800 -0.013 0.000 2.416 376 Q HA 0.818 5.151 4.340 -0.012 0.000 0.281 376 Q C -0.894 175.093 176.000 -0.021 0.000 1.067 376 Q CA -0.861 54.931 55.803 -0.019 0.000 0.809 376 Q CB 2.565 31.286 28.738 -0.029 0.000 1.418 376 Q HN 0.496 nan 8.270 nan 0.000 0.411 377 S N 1.309 116.993 115.700 -0.026 0.000 2.546 377 S HA 0.621 5.083 4.470 -0.012 0.000 0.274 377 S C -0.713 173.863 174.600 -0.040 0.000 1.121 377 S CA -0.922 57.262 58.200 -0.026 0.000 0.887 377 S CB 1.068 64.259 63.200 -0.014 0.000 1.094 377 S HN 0.647 nan 8.310 nan 0.000 0.474 378 L N 2.085 123.282 121.223 -0.044 0.000 2.395 378 L HA 0.427 4.759 4.340 -0.012 0.000 0.269 378 L C 1.087 177.931 176.870 -0.042 0.000 1.133 378 L CA -0.543 54.257 54.840 -0.066 0.000 0.812 378 L CB 1.229 43.240 42.059 -0.080 0.000 1.125 378 L HN 0.811 nan 8.230 nan 0.000 0.452 379 T N 1.780 116.300 114.554 -0.057 0.000 2.913 379 T HA 0.135 4.477 4.350 -0.012 0.000 0.297 379 T C 0.167 174.902 174.700 0.058 0.000 1.029 379 T CA -0.731 61.368 62.100 -0.002 0.000 1.104 379 T CB 0.625 69.483 68.868 -0.016 0.000 0.964 379 T HN 0.416 nan 8.240 nan 0.000 0.532 380 Q N 2.019 121.883 119.800 0.107 0.000 2.308 380 Q HA 0.311 4.644 4.340 -0.012 0.000 0.207 380 Q C 1.812 177.958 176.000 0.242 0.000 1.035 380 Q CA -0.025 55.874 55.803 0.159 0.000 1.008 380 Q CB -0.150 28.644 28.738 0.093 0.000 1.168 380 Q HN 0.908 nan 8.270 nan 0.000 0.565 381 G N 0.777 109.696 108.800 0.198 0.000 2.462 381 G HA2 -0.257 3.695 3.960 -0.012 0.000 0.220 381 G HA3 -0.257 3.695 3.960 -0.012 0.000 0.220 381 G C 0.600 175.573 174.900 0.121 0.000 1.121 381 G CA 1.225 46.392 45.100 0.112 0.000 0.758 381 G HN 0.698 nan 8.290 nan 0.000 0.559 382 D N -0.757 119.710 120.400 0.112 0.000 2.349 382 D HA 0.225 4.858 4.640 -0.012 0.000 0.224 382 D C 1.670 178.118 176.300 0.247 0.000 1.029 382 D CA 0.452 54.527 54.000 0.124 0.000 0.879 382 D CB -0.628 40.198 40.800 0.044 0.000 0.906 382 D HN 0.457 nan 8.370 nan 0.000 0.528 383 G N -0.597 108.359 108.800 0.259 0.000 2.143 383 G HA2 -0.224 3.728 3.960 -0.012 0.000 0.248 383 G HA3 -0.224 3.728 3.960 -0.012 0.000 0.248 383 G C -0.052 175.066 174.900 0.363 0.000 0.991 383 G CA 0.293 45.582 45.100 0.314 0.000 0.689 383 G HN 0.406 nan 8.290 nan 0.000 0.522 384 V N 0.428 120.486 119.914 0.240 0.000 2.417 384 V HA 0.822 4.934 4.120 -0.012 0.000 0.291 384 V C 0.555 176.707 176.094 0.096 0.000 1.024 384 V CA -0.286 62.122 62.300 0.180 0.000 0.861 384 V CB 1.516 33.407 31.823 0.114 0.000 0.985 384 V HN 1.089 nan 8.190 nan 0.000 0.436 385 A N 4.514 127.377 122.820 0.071 0.000 2.325 385 A HA 0.763 5.076 4.320 -0.012 0.000 0.333 385 A C -0.327 177.278 177.584 0.034 0.000 1.155 385 A CA -0.743 51.314 52.037 0.035 0.000 0.814 385 A CB 1.123 20.127 19.000 0.006 0.000 1.206 385 A HN 0.781 nan 8.150 nan 0.000 0.482 386 K N 1.892 122.303 120.400 0.018 0.000 2.185 386 K HA 0.702 5.014 4.320 -0.012 0.000 0.269 386 K C -1.433 175.172 176.600 0.009 0.000 0.987 386 K CA -0.281 56.013 56.287 0.011 0.000 0.865 386 K CB 0.562 33.061 32.500 -0.002 0.000 1.090 386 K HN 0.670 nan 8.250 nan 0.000 0.450 387 L N 2.067 123.298 121.223 0.013 0.000 2.350 387 L HA 0.526 4.858 4.340 -0.012 0.000 0.260 387 L C -0.914 175.959 176.870 0.006 0.000 1.015 387 L CA -0.996 53.854 54.840 0.017 0.000 0.821 387 L CB 2.435 44.517 42.059 0.039 0.000 1.370 387 L HN 0.732 nan 8.230 nan 0.000 0.416 388 S N 1.095 116.802 115.700 0.011 0.000 2.575 388 S HA 0.763 5.226 4.470 -0.012 0.000 0.278 388 S C -0.854 173.768 174.600 0.036 0.000 1.139 388 S CA -0.744 57.464 58.200 0.013 0.000 0.954 388 S CB 1.509 64.701 63.200 -0.014 0.000 1.054 388 S HN 0.445 nan 8.310 nan 0.000 0.483 389 I N 1.697 122.315 120.570 0.080 0.000 2.525 389 I HA 0.450 4.612 4.170 -0.012 0.000 0.301 389 I C -0.403 175.745 176.117 0.051 0.000 0.992 389 I CA -1.091 60.248 61.300 0.064 0.000 1.162 389 I CB 0.966 39.007 38.000 0.069 0.000 1.332 389 I HN 0.471 nan 8.210 nan 0.000 0.458 390 N N 3.035 121.743 118.700 0.013 0.000 2.488 390 N HA 0.231 4.964 4.740 -0.012 0.000 0.274 390 N C -0.223 175.283 175.510 -0.007 0.000 1.111 390 N CA -0.169 52.868 53.050 -0.021 0.000 0.974 390 N CB 1.292 39.737 38.487 -0.069 0.000 1.089 390 N HN 0.761 nan 8.380 nan 0.000 0.465 391 T N -0.859 113.695 114.554 0.000 0.000 2.859 391 T HA 0.293 4.636 4.350 -0.012 0.000 0.281 391 T C -0.090 174.635 174.700 0.042 0.000 1.005 391 T CA -0.766 61.361 62.100 0.045 0.000 1.025 391 T CB 0.870 69.779 68.868 0.069 0.000 0.977 391 T HN 0.347 nan 8.240 nan 0.000 0.458 392 H N 2.989 122.070 119.070 0.018 0.000 2.582 392 H HA 0.189 4.738 4.556 -0.013 0.000 0.345 392 H C -1.725 173.648 175.328 0.074 0.000 1.104 392 H CA -1.714 54.353 56.048 0.033 0.000 1.390 392 H CB 1.438 31.208 29.762 0.013 0.000 1.461 392 H HN 0.515 nan 8.280 nan 0.000 0.551 393 P HA -0.103 nan 4.420 nan 0.000 0.250 393 P C 0.191 177.566 177.300 0.125 0.000 1.239 393 P CA 0.479 63.639 63.100 0.101 0.000 0.756 393 P CB -0.014 31.728 31.700 0.070 0.000 1.013 394 S N -1.159 114.632 115.700 0.152 0.000 2.693 394 S HA 0.203 4.666 4.470 -0.012 0.000 0.276 394 S C 0.865 175.558 174.600 0.155 0.000 1.192 394 S CA -0.688 57.590 58.200 0.129 0.000 0.994 394 S CB 0.807 64.070 63.200 0.105 0.000 1.012 394 S HN -0.060 nan 8.310 nan 0.000 0.550 395 Q N 0.157 120.028 119.800 0.120 0.000 2.253 395 Q HA 0.152 4.485 4.340 -0.012 0.000 0.210 395 Q C -0.201 175.891 176.000 0.154 0.000 0.907 395 Q CA 0.161 56.033 55.803 0.116 0.000 0.948 395 Q CB -0.163 28.618 28.738 0.072 0.000 1.033 395 Q HN 0.589 nan 8.270 nan 0.000 0.471 396 K N 2.529 123.032 120.400 0.171 0.000 2.338 396 K HA 0.182 4.495 4.320 -0.012 0.000 0.290 396 K C -2.411 174.284 176.600 0.157 0.000 1.069 396 K CA -1.721 54.638 56.287 0.120 0.000 0.941 396 K CB 0.594 33.128 32.500 0.056 0.000 1.023 396 K HN -0.116 nan 8.250 nan 0.000 0.477 397 P HA -0.093 nan 4.420 nan 0.000 0.262 397 P C -0.603 176.623 177.300 -0.124 0.000 1.182 397 P CA 0.203 63.358 63.100 0.093 0.000 0.761 397 P CB 0.419 32.146 31.700 0.045 0.000 0.795 398 L N 2.708 123.707 121.223 -0.373 0.000 2.319 398 L HA 0.196 4.529 4.340 -0.012 0.000 0.280 398 L C 0.637 177.290 176.870 -0.362 0.000 1.099 398 L CA 0.184 54.696 54.840 -0.547 0.000 0.828 398 L CB 0.754 42.179 42.059 -1.057 0.000 1.150 398 L HN 0.345 nan 8.230 nan 0.000 0.442 399 S N 5.341 120.882 115.700 -0.265 0.000 2.577 399 S HA 0.539 5.002 4.470 -0.012 0.000 0.294 399 S C -0.404 174.088 174.600 -0.179 0.000 1.161 399 S CA -0.576 57.505 58.200 -0.198 0.000 1.143 399 S CB 0.039 63.160 63.200 -0.131 0.000 0.991 399 S HN 0.383 nan 8.310 nan 0.000 0.475 400 I N 3.687 124.132 120.570 -0.209 0.000 2.359 400 I HA 0.394 4.557 4.170 -0.012 0.000 0.294 400 I C 0.065 176.134 176.117 -0.081 0.000 0.987 400 I CA -0.461 60.751 61.300 -0.148 0.000 1.225 400 I CB 1.985 39.889 38.000 -0.161 0.000 1.366 400 I HN 0.324 nan 8.210 nan 0.000 0.466 401 T N 5.423 119.979 114.554 0.003 0.000 2.812 401 T HA 0.537 4.880 4.350 -0.012 0.000 0.282 401 T C -0.334 174.435 174.700 0.115 0.000 0.990 401 T CA -0.527 61.619 62.100 0.076 0.000 0.960 401 T CB 1.800 70.690 68.868 0.035 0.000 0.948 401 T HN 0.213 nan 8.240 nan 0.000 0.438 402 V N 4.306 124.339 119.914 0.198 0.000 2.495 402 V HA 0.580 4.692 4.120 -0.012 0.000 0.298 402 V C -0.013 176.104 176.094 0.037 0.000 1.031 402 V CA -1.007 61.373 62.300 0.134 0.000 0.871 402 V CB 1.778 33.725 31.823 0.206 0.000 0.988 402 V HN 0.740 nan 8.190 nan 0.000 0.432 403 R N 1.657 122.157 120.500 -0.000 0.000 2.778 403 R HA 0.616 4.949 4.340 -0.012 0.000 0.277 403 R C -0.381 175.876 176.300 -0.070 0.000 0.977 403 R CA -0.785 55.293 56.100 -0.037 0.000 0.950 403 R CB 1.788 32.073 30.300 -0.026 0.000 1.165 403 R HN 0.679 nan 8.270 nan 0.000 0.474 404 T N 2.511 117.002 114.554 -0.105 0.000 2.940 404 T HA 0.051 4.394 4.350 -0.012 0.000 0.309 404 T C 0.497 175.141 174.700 -0.094 0.000 1.056 404 T CA 0.126 62.140 62.100 -0.144 0.000 1.137 404 T CB 0.352 69.114 68.868 -0.175 0.000 0.976 404 T HN 0.243 nan 8.240 nan 0.000 0.547 405 K N 2.289 122.629 120.400 -0.100 0.000 3.309 405 K HA 0.153 4.466 4.320 -0.012 0.000 0.187 405 K C -0.281 176.278 176.600 -0.068 0.000 1.085 405 K CA -0.443 55.804 56.287 -0.066 0.000 0.867 405 K CB 0.749 33.217 32.500 -0.054 0.000 0.846 405 K HN 0.321 nan 8.250 nan 0.000 0.522 406 K N 1.961 122.320 120.400 -0.069 0.000 2.284 406 K HA 0.162 4.475 4.320 -0.012 0.000 0.287 406 K C -0.035 176.556 176.600 -0.017 0.000 1.081 406 K CA -0.081 56.175 56.287 -0.052 0.000 0.910 406 K CB 0.747 33.227 32.500 -0.033 0.000 1.088 406 K HN 0.329 nan 8.250 nan 0.000 0.478 407 Q N 2.204 121.992 119.800 -0.021 0.000 2.395 407 Q HA -0.070 4.263 4.340 -0.012 0.000 0.271 407 Q C -0.097 175.903 176.000 -0.000 0.000 1.026 407 Q CA 0.988 56.784 55.803 -0.012 0.000 0.900 407 Q CB 0.582 29.311 28.738 -0.016 0.000 1.266 407 Q HN 0.686 nan 8.270 nan 0.000 0.430 408 E N -0.764 119.437 120.200 0.002 0.000 4.229 408 E HA -0.197 4.146 4.350 -0.012 0.000 0.250 408 E C -1.019 175.583 176.600 0.004 0.000 0.673 408 E CA 0.311 56.715 56.400 0.006 0.000 2.335 408 E CB -0.705 29.003 29.700 0.013 0.000 1.684 408 E HN 0.292 nan 8.360 nan 0.000 0.598 409 L N 1.495 122.721 121.223 0.004 0.000 2.360 409 L HA 0.434 4.766 4.340 -0.012 0.000 0.271 409 L C 1.110 177.976 176.870 -0.007 0.000 1.057 409 L CA 0.458 55.293 54.840 -0.009 0.000 0.803 409 L CB 1.324 43.382 42.059 -0.001 0.000 1.207 409 L HN 0.255 nan 8.230 nan 0.000 0.445 410 S N 1.005 116.700 115.700 -0.008 0.000 2.587 410 S HA 0.167 4.630 4.470 -0.012 0.000 0.252 410 S C 0.690 175.288 174.600 -0.002 0.000 1.282 410 S CA -0.180 58.021 58.200 0.001 0.000 0.977 410 S CB 0.340 63.548 63.200 0.014 0.000 1.015 410 S HN 0.604 nan 8.310 nan 0.000 0.557 411 E N -0.044 120.157 120.200 0.001 0.000 2.340 411 E HA 0.242 4.585 4.350 -0.012 0.000 0.198 411 E C 2.029 178.633 176.600 0.006 0.000 0.961 411 E CA 0.810 57.209 56.400 -0.001 0.000 0.905 411 E CB -0.489 29.209 29.700 -0.004 0.000 0.884 411 E HN 0.700 nan 8.360 nan 0.000 0.491 412 A N 1.142 123.973 122.820 0.019 0.000 2.119 412 A HA -0.094 4.219 4.320 -0.012 0.000 0.217 412 A C 1.792 179.409 177.584 0.054 0.000 1.153 412 A CA 0.864 52.927 52.037 0.043 0.000 0.692 412 A CB -0.196 18.838 19.000 0.058 0.000 0.799 412 A HN 0.084 nan 8.150 nan 0.000 0.458 413 E N -0.175 120.036 120.200 0.019 0.000 2.478 413 E HA -0.003 4.340 4.350 -0.012 0.000 0.194 413 E C 0.047 176.618 176.600 -0.048 0.000 1.045 413 E CA -0.145 56.221 56.400 -0.056 0.000 0.868 413 E CB 0.147 29.764 29.700 -0.139 0.000 0.885 413 E HN 0.525 nan 8.360 nan 0.000 0.505 414 Q N 0.405 120.197 119.800 -0.012 0.000 2.340 414 Q HA 0.306 4.639 4.340 -0.012 0.000 0.249 414 Q C -0.224 175.769 176.000 -0.011 0.000 0.957 414 Q CA -0.080 55.723 55.803 -0.001 0.000 0.882 414 Q CB 1.321 30.052 28.738 -0.012 0.000 1.235 414 Q HN 0.092 nan 8.270 nan 0.000 0.439 415 A N 1.659 124.472 122.820 -0.012 0.000 2.286 415 A HA 0.606 4.918 4.320 -0.012 0.000 0.286 415 A C 0.011 177.559 177.584 -0.061 0.000 1.097 415 A CA -0.166 51.844 52.037 -0.046 0.000 0.821 415 A CB 1.073 20.039 19.000 -0.056 0.000 1.076 415 A HN 0.611 nan 8.150 nan 0.000 0.490 416 T N -0.110 114.406 114.554 -0.063 0.000 2.956 416 T HA 0.630 4.973 4.350 -0.012 0.000 0.312 416 T C -1.016 173.661 174.700 -0.039 0.000 1.151 416 T CA -0.577 61.498 62.100 -0.040 0.000 1.024 416 T CB 1.055 69.917 68.868 -0.010 0.000 1.140 416 T HN 0.952 nan 8.240 nan 0.000 0.473 417 R N 1.661 122.165 120.500 0.007 0.000 2.668 417 R HA 0.725 5.058 4.340 -0.012 0.000 0.272 417 R C -1.334 175.156 176.300 0.317 0.000 1.019 417 R CA -0.441 55.718 56.100 0.098 0.000 0.894 417 R CB 2.280 32.553 30.300 -0.046 0.000 1.228 417 R HN 0.647 nan 8.270 nan 0.000 0.460 418 T N 3.548 118.272 114.554 0.283 0.000 2.856 418 T HA 0.747 5.089 4.350 -0.012 0.000 0.283 418 T C -0.885 173.856 174.700 0.067 0.000 1.008 418 T CA -0.654 61.543 62.100 0.162 0.000 0.997 418 T CB 0.572 69.471 68.868 0.051 0.000 0.992 418 T HN 0.607 nan 8.240 nan 0.000 0.454 419 M N 2.556 121.996 119.600 -0.268 0.000 2.575 419 M HA 0.638 5.111 4.480 -0.012 0.000 0.284 419 M C -1.269 174.842 176.300 -0.315 0.000 1.253 419 M CA -1.007 54.057 55.300 -0.393 0.000 0.861 419 M CB 2.311 34.358 32.600 -0.921 0.000 1.733 419 M HN 0.440 nan 8.290 nan 0.000 0.462 420 Q N 1.337 120.996 119.800 -0.235 0.000 2.345 420 Q HA 0.875 5.207 4.340 -0.012 0.000 0.268 420 Q C -1.975 173.892 176.000 -0.222 0.000 1.054 420 Q CA -0.750 54.928 55.803 -0.207 0.000 0.835 420 Q CB 2.569 31.230 28.738 -0.130 0.000 1.339 420 Q HN 1.002 nan 8.270 nan 0.000 0.447 421 A N 3.714 126.391 122.820 -0.238 0.000 2.435 421 A HA 0.709 5.021 4.320 -0.012 0.000 0.304 421 A C -1.374 176.256 177.584 0.077 0.000 1.064 421 A CA -0.699 51.234 52.037 -0.173 0.000 0.727 421 A CB 1.171 19.962 19.000 -0.349 0.000 1.284 421 A HN 0.728 nan 8.150 nan 0.000 0.415 422 L N 2.230 123.524 121.223 0.119 0.000 2.334 422 L HA 0.555 4.887 4.340 -0.012 0.000 0.272 422 L C -2.217 174.816 176.870 0.272 0.000 1.020 422 L CA -2.266 52.740 54.840 0.276 0.000 0.812 422 L CB 2.229 44.434 42.059 0.243 0.000 1.264 422 L HN 0.481 nan 8.230 nan 0.000 0.439 423 P HA 0.031 nan 4.420 nan 0.000 0.285 423 P C -1.187 176.072 177.300 -0.068 0.000 1.259 423 P CA -0.300 62.506 63.100 -0.489 0.000 0.794 423 P CB 0.536 31.976 31.700 -0.433 0.000 0.940 424 Y N 3.149 123.361 120.300 -0.146 0.000 2.569 424 Y HA 0.106 4.648 4.550 -0.013 0.000 0.332 424 Y C 0.712 176.595 175.900 -0.028 0.000 1.120 424 Y CA 0.218 58.280 58.100 -0.064 0.000 1.416 424 Y CB 0.390 38.873 38.460 0.039 0.000 1.210 424 Y HN 0.374 nan 8.280 nan 0.000 0.528 425 S N 5.514 120.995 115.700 -0.366 0.000 2.513 425 S HA 0.393 4.855 4.470 -0.012 0.000 0.276 425 S C 0.037 174.418 174.600 -0.365 0.000 1.254 425 S CA -0.269 57.777 58.200 -0.256 0.000 1.053 425 S CB 0.395 63.469 63.200 -0.211 0.000 0.958 425 S HN 0.861 nan 8.310 nan 0.000 0.491 426 T N 1.008 115.465 114.554 -0.161 0.000 2.881 426 T HA 0.524 4.867 4.350 -0.012 0.000 0.278 426 T C 0.036 174.677 174.700 -0.099 0.000 0.982 426 T CA -0.918 61.101 62.100 -0.136 0.000 0.989 426 T CB 0.626 69.374 68.868 -0.201 0.000 1.058 426 T HN 0.552 nan 8.240 nan 0.000 0.529 427 V N 1.791 121.665 119.914 -0.066 0.000 2.415 427 V HA 0.466 4.579 4.120 -0.012 0.000 0.267 427 V C 1.604 177.670 176.094 -0.046 0.000 1.042 427 V CA 0.430 62.706 62.300 -0.040 0.000 1.000 427 V CB -0.491 31.308 31.823 -0.040 0.000 1.015 427 V HN 1.419 nan 8.190 nan 0.000 0.478 428 G N 4.789 113.568 108.800 -0.035 0.000 2.249 428 G HA2 -0.338 3.614 3.960 -0.012 0.000 0.273 428 G HA3 -0.338 3.614 3.960 -0.012 0.000 0.273 428 G C 0.390 175.275 174.900 -0.024 0.000 1.036 428 G CA 0.485 45.568 45.100 -0.028 0.000 0.824 428 G HN 1.077 nan 8.290 nan 0.000 0.504 429 N N -1.739 116.945 118.700 -0.027 0.000 2.714 429 N HA -0.241 4.491 4.740 -0.012 0.000 0.250 429 N C 1.627 177.130 175.510 -0.010 0.000 1.117 429 N CA 2.039 55.082 53.050 -0.012 0.000 0.719 429 N CB -1.166 37.324 38.487 0.005 0.000 1.081 429 N HN 1.284 nan 8.380 nan 0.000 0.557 430 S N -0.200 115.477 115.700 -0.038 0.000 2.481 430 S HA -0.085 4.378 4.470 -0.012 0.000 0.231 430 S C 0.749 175.334 174.600 -0.024 0.000 0.996 430 S CA 0.745 58.923 58.200 -0.035 0.000 0.942 430 S CB 0.055 63.218 63.200 -0.062 0.000 0.768 430 S HN 0.416 nan 8.310 nan 0.000 0.520 431 N N 1.758 120.423 118.700 -0.059 0.000 2.740 431 N HA -0.118 4.614 4.740 -0.012 0.000 0.248 431 N C -1.559 173.895 175.510 -0.094 0.000 1.062 431 N CA 0.885 53.929 53.050 -0.009 0.000 0.704 431 N CB -2.108 36.489 38.487 0.183 0.000 0.968 431 N HN 0.530 nan 8.380 nan 0.000 0.547 432 N N 0.453 118.969 118.700 -0.306 0.000 2.408 432 N HA 0.497 5.230 4.740 -0.012 0.000 0.280 432 N C -0.414 174.885 175.510 -0.351 0.000 1.002 432 N CA -0.032 52.931 53.050 -0.145 0.000 0.907 432 N CB 0.676 39.165 38.487 0.002 0.000 1.161 432 N HN 0.153 nan 8.380 nan 0.000 0.488 433 Y N 0.433 120.826 120.300 0.154 0.000 2.665 433 Y HA 0.676 5.218 4.550 -0.013 0.000 0.336 433 Y C -0.671 175.327 175.900 0.163 0.000 1.085 433 Y CA -1.180 56.946 58.100 0.043 0.000 1.096 433 Y CB 1.619 40.087 38.460 0.013 0.000 1.301 433 Y HN 0.261 nan 8.280 nan 0.000 0.493 434 L N 1.282 122.637 121.223 0.220 0.000 2.543 434 L HA 0.488 4.821 4.340 -0.012 0.000 0.265 434 L C -2.042 174.878 176.870 0.082 0.000 0.945 434 L CA -0.444 54.526 54.840 0.216 0.000 0.869 434 L CB 1.698 43.900 42.059 0.237 0.000 1.294 434 L HN 0.784 nan 8.230 nan 0.000 0.405 435 H N 4.434 123.486 119.070 -0.030 0.000 2.658 435 H HA 0.729 5.278 4.556 -0.012 0.000 0.337 435 H C -1.513 173.718 175.328 -0.162 0.000 1.009 435 H CA -0.472 55.526 56.048 -0.084 0.000 1.231 435 H CB 1.197 30.931 29.762 -0.046 0.000 1.508 435 H HN 0.671 nan 8.280 nan 0.000 0.517 436 L N 4.337 125.228 121.223 -0.554 0.000 2.307 436 L HA 0.536 4.868 4.340 -0.012 0.000 0.282 436 L C 0.033 176.641 176.870 -0.438 0.000 1.051 436 L CA -0.671 53.870 54.840 -0.499 0.000 0.804 436 L CB 1.546 43.283 42.059 -0.537 0.000 1.197 436 L HN 0.678 nan 8.230 nan 0.000 0.431 437 S N 1.746 117.322 115.700 -0.208 0.000 2.667 437 S HA 0.887 5.350 4.470 -0.012 0.000 0.292 437 S C -0.949 173.591 174.600 -0.099 0.000 1.126 437 S CA -0.743 57.398 58.200 -0.098 0.000 0.881 437 S CB 2.464 65.698 63.200 0.057 0.000 1.132 437 S HN 0.298 nan 8.310 nan 0.000 0.492 438 V N 0.985 120.854 119.914 -0.074 0.000 3.087 438 V HA 0.492 4.604 4.120 -0.012 0.000 0.306 438 V C -1.133 174.930 176.094 -0.051 0.000 1.187 438 V CA -0.850 61.408 62.300 -0.070 0.000 0.999 438 V CB 2.061 33.827 31.823 -0.096 0.000 1.049 438 V HN 0.957 nan 8.190 nan 0.000 0.431 439 L N 2.762 123.958 121.223 -0.044 0.000 2.417 439 L HA 0.469 4.802 4.340 -0.012 0.000 0.268 439 L C 0.534 177.379 176.870 -0.042 0.000 1.158 439 L CA 0.046 54.865 54.840 -0.035 0.000 0.819 439 L CB 0.411 42.453 42.059 -0.028 0.000 1.112 439 L HN 0.522 nan 8.230 nan 0.000 0.458 440 R N 1.889 122.371 120.500 -0.029 0.000 2.419 440 R HA 0.394 4.726 4.340 -0.012 0.000 0.305 440 R C -1.339 174.949 176.300 -0.020 0.000 1.242 440 R CA -0.075 56.010 56.100 -0.025 0.000 1.105 440 R CB -0.679 29.614 30.300 -0.011 0.000 1.116 440 R HN 0.750 nan 8.270 nan 0.000 0.523 441 T N 0.139 114.673 114.554 -0.034 0.000 3.012 441 T HA 0.268 4.611 4.350 -0.012 0.000 0.330 441 T C -0.747 173.926 174.700 -0.045 0.000 1.321 441 T CA -1.051 61.032 62.100 -0.028 0.000 1.067 441 T CB 1.285 70.136 68.868 -0.028 0.000 1.235 441 T HN 0.320 nan 8.240 nan 0.000 0.479 442 E N 1.533 121.711 120.200 -0.036 0.000 2.383 442 E HA 0.127 4.469 4.350 -0.012 0.000 0.257 442 E C -0.614 175.948 176.600 -0.062 0.000 1.079 442 E CA -0.043 56.326 56.400 -0.052 0.000 0.934 442 E CB 0.670 30.347 29.700 -0.039 0.000 0.978 442 E HN 0.428 nan 8.360 nan 0.000 0.462 443 L N 4.763 125.937 121.223 -0.082 0.000 2.292 443 L HA 0.313 4.646 4.340 -0.012 0.000 0.284 443 L C 0.093 176.916 176.870 -0.078 0.000 1.065 443 L CA -0.315 54.478 54.840 -0.079 0.000 0.806 443 L CB 0.557 42.565 42.059 -0.084 0.000 1.175 443 L HN 0.390 nan 8.230 nan 0.000 0.431 444 R N 4.901 125.358 120.500 -0.073 0.000 2.778 444 R HA 0.545 4.878 4.340 -0.012 0.000 0.277 444 R C -2.541 173.712 176.300 -0.078 0.000 0.977 444 R CA -2.007 54.052 56.100 -0.069 0.000 0.950 444 R CB 1.135 31.401 30.300 -0.056 0.000 1.165 444 R HN 0.396 nan 8.270 nan 0.000 0.474 445 P HA -0.019 nan 4.420 nan 0.000 0.269 445 P C 0.511 177.771 177.300 -0.066 0.000 1.215 445 P CA 0.578 63.635 63.100 -0.072 0.000 0.780 445 P CB 0.751 32.434 31.700 -0.028 0.000 0.898 446 G N 0.705 109.459 108.800 -0.077 0.000 2.279 446 G HA2 -0.193 3.760 3.960 -0.012 0.000 0.223 446 G HA3 -0.193 3.760 3.960 -0.012 0.000 0.223 446 G C 0.091 174.945 174.900 -0.077 0.000 1.015 446 G CA -0.151 44.912 45.100 -0.062 0.000 0.621 446 G HN 0.574 nan 8.290 nan 0.000 0.506 447 E N 0.551 120.693 120.200 -0.096 0.000 2.345 447 E HA 0.563 4.906 4.350 -0.012 0.000 0.259 447 E C -0.302 176.226 176.600 -0.120 0.000 1.117 447 E CA 0.062 56.405 56.400 -0.095 0.000 0.913 447 E CB 0.883 30.531 29.700 -0.088 0.000 1.057 447 E HN 0.073 nan 8.360 nan 0.000 0.432 448 T N 1.494 115.991 114.554 -0.095 0.000 2.824 448 T HA 0.430 4.773 4.350 -0.012 0.000 0.280 448 T C -1.181 173.467 174.700 -0.087 0.000 0.995 448 T CA -0.555 61.487 62.100 -0.096 0.000 1.009 448 T CB 0.511 69.340 68.868 -0.066 0.000 0.955 448 T HN 0.156 nan 8.240 nan 0.000 0.452 449 L N 4.692 125.858 121.223 -0.096 0.000 2.356 449 L HA 0.560 4.892 4.340 -0.012 0.000 0.277 449 L C -0.780 176.064 176.870 -0.043 0.000 0.996 449 L CA -0.536 54.264 54.840 -0.066 0.000 0.822 449 L CB 1.356 43.378 42.059 -0.062 0.000 1.256 449 L HN 0.424 nan 8.230 nan 0.000 0.413 450 N N 4.562 123.244 118.700 -0.029 0.000 2.420 450 N HA 0.270 5.003 4.740 -0.012 0.000 0.249 450 N C -0.993 174.511 175.510 -0.009 0.000 1.033 450 N CA -0.227 52.815 53.050 -0.013 0.000 0.944 450 N CB 1.882 40.364 38.487 -0.008 0.000 1.113 450 N HN 0.377 nan 8.380 nan 0.000 0.502 451 V N 3.319 123.238 119.914 0.007 0.000 2.364 451 V HA 0.178 4.291 4.120 -0.012 0.000 0.272 451 V C 0.519 176.629 176.094 0.026 0.000 1.036 451 V CA -0.804 61.481 62.300 -0.025 0.000 0.880 451 V CB 0.568 32.362 31.823 -0.049 0.000 0.991 451 V HN 0.499 nan 8.190 nan 0.000 0.460 452 N N 5.045 123.718 118.700 -0.045 0.000 2.408 452 N HA 0.334 5.067 4.740 -0.012 0.000 0.257 452 N C -0.966 174.493 175.510 -0.084 0.000 1.064 452 N CA -0.124 52.935 53.050 0.015 0.000 0.952 452 N CB 1.029 39.521 38.487 0.008 0.000 1.093 452 N HN 0.498 nan 8.380 nan 0.000 0.490 453 F N 2.563 122.430 119.950 -0.138 0.000 2.350 453 F HA 0.226 4.746 4.527 -0.012 0.000 0.365 453 F C 0.302 176.003 175.800 -0.165 0.000 1.122 453 F CA -0.922 56.917 58.000 -0.267 0.000 1.139 453 F CB 0.681 39.352 39.000 -0.549 0.000 1.220 453 F HN 0.252 nan 8.300 nan 0.000 0.499 454 L N 5.545 126.789 121.223 0.036 0.000 2.282 454 L HA 0.525 4.858 4.340 -0.012 0.000 0.288 454 L C -0.924 176.015 176.870 0.115 0.000 1.033 454 L CA -0.678 54.213 54.840 0.085 0.000 0.807 454 L CB 0.862 42.974 42.059 0.088 0.000 1.209 454 L HN 0.493 nan 8.230 nan 0.000 0.423 455 L N 5.164 126.472 121.223 0.141 0.000 2.399 455 L HA 0.669 5.001 4.340 -0.012 0.000 0.265 455 L C -0.540 176.422 176.870 0.153 0.000 1.089 455 L CA -0.082 54.861 54.840 0.171 0.000 0.802 455 L CB 1.054 43.195 42.059 0.137 0.000 1.180 455 L HN 0.798 nan 8.230 nan 0.000 0.454 456 R N 4.517 125.139 120.500 0.204 0.000 2.912 456 R HA 0.614 4.947 4.340 -0.012 0.000 0.278 456 R C -1.889 174.553 176.300 0.237 0.000 1.533 456 R CA -0.362 55.859 56.100 0.203 0.000 1.061 456 R CB 0.432 30.867 30.300 0.225 0.000 1.313 456 R HN 0.739 nan 8.270 nan 0.000 0.443 457 M N 0.425 120.121 119.600 0.160 0.000 2.603 457 M HA 0.510 4.982 4.480 -0.012 0.000 0.275 457 M C -1.228 175.138 176.300 0.110 0.000 1.226 457 M CA -1.083 54.305 55.300 0.146 0.000 0.870 457 M CB 1.713 34.402 32.600 0.148 0.000 1.716 457 M HN 0.315 nan 8.290 nan 0.000 0.482 458 D N 1.434 121.903 120.400 0.116 0.000 2.478 458 D HA -0.006 4.626 4.640 -0.012 0.000 0.234 458 D C 0.610 176.958 176.300 0.079 0.000 1.154 458 D CA -0.033 54.027 54.000 0.100 0.000 0.874 458 D CB 0.822 41.694 40.800 0.120 0.000 1.198 458 D HN 0.896 nan 8.370 nan 0.000 0.455 459 R N 1.451 121.977 120.500 0.043 0.000 2.241 459 R HA -0.017 4.315 4.340 -0.012 0.000 0.224 459 R C 1.815 178.103 176.300 -0.021 0.000 1.101 459 R CA 1.066 57.173 56.100 0.012 0.000 0.995 459 R CB -0.531 29.771 30.300 0.003 0.000 0.870 459 R HN 0.417 nan 8.270 nan 0.000 0.463 460 A N 0.819 123.618 122.820 -0.035 0.000 2.172 460 A HA -0.084 4.228 4.320 -0.012 0.000 0.216 460 A C 1.075 178.421 177.584 -0.397 0.000 1.154 460 A CA 0.946 52.872 52.037 -0.185 0.000 0.701 460 A CB -0.338 18.552 19.000 -0.182 0.000 0.789 460 A HN 0.486 nan 8.150 nan 0.000 0.465 461 H N -2.081 116.985 119.070 -0.007 0.000 3.771 461 H HA 0.018 4.567 4.556 -0.012 0.000 0.260 461 H C 1.711 177.017 175.328 -0.037 0.000 1.158 461 H CA 0.824 56.863 56.048 -0.015 0.000 1.170 461 H CB 0.206 29.968 29.762 -0.001 0.000 1.539 461 H HN 0.759 nan 8.280 nan 0.000 0.634 462 E N 1.828 122.059 120.200 0.051 0.000 2.160 462 E HA -0.101 4.241 4.350 -0.012 0.000 0.195 462 E C 2.054 178.616 176.600 -0.065 0.000 0.991 462 E CA 1.383 57.771 56.400 -0.021 0.000 0.810 462 E CB -0.221 29.468 29.700 -0.018 0.000 0.742 462 E HN 0.222 nan 8.360 nan 0.000 0.466 463 A N 0.841 123.632 122.820 -0.049 0.000 2.125 463 A HA -0.145 4.167 4.320 -0.012 0.000 0.219 463 A C 2.137 179.679 177.584 -0.071 0.000 1.156 463 A CA 1.496 53.497 52.037 -0.059 0.000 0.671 463 A CB -0.566 18.404 19.000 -0.049 0.000 0.794 463 A HN 0.260 nan 8.150 nan 0.000 0.459 464 K N -0.312 120.050 120.400 -0.063 0.000 2.305 464 K HA 0.054 4.366 4.320 -0.012 0.000 0.199 464 K C -0.098 176.403 176.600 -0.164 0.000 1.047 464 K CA 0.120 56.363 56.287 -0.073 0.000 0.976 464 K CB 0.001 32.490 32.500 -0.017 0.000 0.765 464 K HN 0.339 nan 8.250 nan 0.000 0.474 465 I N 3.368 123.802 120.570 -0.226 0.000 2.349 465 I HA 0.011 4.173 4.170 -0.012 0.000 0.302 465 I C 0.732 176.591 176.117 -0.430 0.000 1.180 465 I CA 0.387 61.445 61.300 -0.403 0.000 1.405 465 I CB 0.222 37.906 38.000 -0.528 0.000 1.474 465 I HN 0.072 nan 8.210 nan 0.000 0.632 466 R N 4.702 124.933 120.500 -0.449 0.000 2.210 466 R HA 0.083 4.416 4.340 -0.012 0.000 0.203 466 R C -0.239 175.949 176.300 -0.187 0.000 1.010 466 R CA 0.550 56.497 56.100 -0.256 0.000 1.008 466 R CB -0.276 29.991 30.300 -0.056 0.000 0.923 466 R HN 0.649 nan 8.270 nan 0.000 0.469 467 Y N -3.645 116.477 120.300 -0.297 0.000 2.604 467 Y HA 0.522 5.065 4.550 -0.013 0.000 0.331 467 Y C -1.357 174.320 175.900 -0.373 0.000 1.158 467 Y CA -2.281 55.647 58.100 -0.285 0.000 1.056 467 Y CB 0.306 38.694 38.460 -0.119 0.000 1.330 467 Y HN -0.215 nan 8.280 nan 0.000 0.457 468 Y N 0.619 120.994 120.300 0.125 0.000 2.360 468 Y HA 0.651 5.193 4.550 -0.012 0.000 0.337 468 Y C 0.061 176.094 175.900 0.221 0.000 1.039 468 Y CA -1.023 57.167 58.100 0.149 0.000 1.109 468 Y CB 2.293 40.818 38.460 0.107 0.000 1.201 468 Y HN 0.676 nan 8.280 nan 0.000 0.458 469 T N 3.764 118.486 114.554 0.280 0.000 2.837 469 T HA 0.475 4.817 4.350 -0.012 0.000 0.285 469 T C -1.092 173.862 174.700 0.423 0.000 0.984 469 T CA -0.631 61.596 62.100 0.212 0.000 1.049 469 T CB 0.151 68.973 68.868 -0.077 0.000 0.947 469 T HN 0.549 nan 8.240 nan 0.000 0.472 470 Y N 0.916 121.403 120.300 0.311 0.000 2.524 470 Y HA 0.806 5.348 4.550 -0.013 0.000 0.347 470 Y C -2.052 174.025 175.900 0.295 0.000 1.005 470 Y CA -1.816 56.494 58.100 0.349 0.000 1.025 470 Y CB 1.034 39.746 38.460 0.420 0.000 1.275 470 Y HN 0.411 nan 8.280 nan 0.000 0.460 471 L N 4.077 125.478 121.223 0.296 0.000 2.388 471 L HA 0.616 4.949 4.340 -0.012 0.000 0.264 471 L C -0.979 176.042 176.870 0.251 0.000 0.998 471 L CA -0.779 54.168 54.840 0.179 0.000 0.817 471 L CB 2.479 44.676 42.059 0.231 0.000 1.338 471 L HN 0.684 nan 8.230 nan 0.000 0.414 472 I N 2.796 123.470 120.570 0.174 0.000 2.382 472 I HA 0.389 4.551 4.170 -0.012 0.000 0.285 472 I C -0.603 175.577 176.117 0.104 0.000 1.007 472 I CA -0.340 61.064 61.300 0.173 0.000 1.142 472 I CB 1.376 39.428 38.000 0.086 0.000 1.289 472 I HN 0.416 nan 8.210 nan 0.000 0.453 473 M N 6.261 125.961 119.600 0.168 0.000 2.144 473 M HA 0.313 4.786 4.480 -0.012 0.000 0.356 473 M C -0.470 175.916 176.300 0.143 0.000 1.217 473 M CA 0.134 55.519 55.300 0.142 0.000 1.087 473 M CB 1.135 33.841 32.600 0.177 0.000 1.609 473 M HN 0.568 nan 8.290 nan 0.000 0.467 474 N N 3.067 121.812 118.700 0.074 0.000 2.287 474 N HA 0.208 4.940 4.740 -0.012 0.000 0.289 474 N C -0.946 174.618 175.510 0.091 0.000 1.066 474 N CA -0.196 52.899 53.050 0.075 0.000 0.841 474 N CB 1.830 40.281 38.487 -0.060 0.000 1.599 474 N HN 0.637 nan 8.380 nan 0.000 0.476 475 K N 2.160 122.650 120.400 0.150 0.000 3.071 475 K HA -0.226 4.086 4.320 -0.012 0.000 0.262 475 K C 0.795 177.531 176.600 0.225 0.000 0.977 475 K CA 0.928 57.336 56.287 0.201 0.000 0.721 475 K CB -1.765 30.845 32.500 0.184 0.000 1.293 475 K HN 1.040 nan 8.250 nan 0.000 0.475 476 G N -0.027 108.894 108.800 0.201 0.000 2.228 476 G HA2 -0.426 3.527 3.960 -0.012 0.000 0.270 476 G HA3 -0.426 3.527 3.960 -0.012 0.000 0.270 476 G C 0.181 175.183 174.900 0.170 0.000 0.976 476 G CA 1.208 46.422 45.100 0.191 0.000 0.636 476 G HN 0.618 nan 8.290 nan 0.000 0.542 477 R N -0.462 120.129 120.500 0.151 0.000 2.674 477 R HA 0.802 5.135 4.340 -0.012 0.000 0.266 477 R C 0.151 176.486 176.300 0.058 0.000 1.016 477 R CA -1.152 55.009 56.100 0.101 0.000 1.062 477 R CB 0.796 31.146 30.300 0.083 0.000 1.142 477 R HN 0.111 nan 8.270 nan 0.000 0.517 478 L N 2.433 123.679 121.223 0.037 0.000 2.410 478 L HA 0.078 4.411 4.340 -0.012 0.000 0.273 478 L C 0.627 177.480 176.870 -0.028 0.000 1.144 478 L CA -0.229 54.625 54.840 0.024 0.000 0.863 478 L CB 0.958 43.036 42.059 0.032 0.000 1.140 478 L HN 0.687 nan 8.230 nan 0.000 0.463 479 L N 3.663 124.849 121.223 -0.061 0.000 2.269 479 L HA 0.282 4.615 4.340 -0.012 0.000 0.200 479 L C 0.304 177.109 176.870 -0.109 0.000 1.069 479 L CA 1.274 56.032 54.840 -0.136 0.000 0.804 479 L CB 0.045 41.929 42.059 -0.290 0.000 0.987 479 L HN 0.536 nan 8.230 nan 0.000 0.468 480 K N -0.562 119.794 120.400 -0.074 0.000 2.543 480 K HA 0.696 5.009 4.320 -0.012 0.000 0.255 480 K C -1.859 174.710 176.600 -0.052 0.000 0.934 480 K CA -0.176 56.088 56.287 -0.038 0.000 0.810 480 K CB 1.899 34.405 32.500 0.009 0.000 1.315 480 K HN 0.080 nan 8.250 nan 0.000 0.433 481 A N 1.974 124.728 122.820 -0.110 0.000 2.449 481 A HA 0.893 5.206 4.320 -0.012 0.000 0.302 481 A C -0.782 176.590 177.584 -0.353 0.000 1.048 481 A CA -0.213 51.664 52.037 -0.266 0.000 0.708 481 A CB 1.849 20.788 19.000 -0.101 0.000 1.274 481 A HN 0.814 nan 8.150 nan 0.000 0.410 482 G N 0.802 109.138 108.800 -0.773 0.000 2.782 482 G HA2 0.670 4.622 3.960 -0.012 0.000 0.304 482 G HA3 0.670 4.622 3.960 -0.012 0.000 0.304 482 G C -1.461 173.325 174.900 -0.190 0.000 1.315 482 G CA -0.720 44.161 45.100 -0.364 0.000 0.791 482 G HN 0.617 nan 8.290 nan 0.000 0.519 483 R N -0.105 120.473 120.500 0.131 0.000 2.711 483 R HA 0.557 4.889 4.340 -0.012 0.000 0.284 483 R C -1.257 175.205 176.300 0.271 0.000 0.968 483 R CA -0.848 55.371 56.100 0.198 0.000 0.924 483 R CB 1.956 32.254 30.300 -0.003 0.000 1.162 483 R HN 0.518 nan 8.270 nan 0.000 0.465 484 Q N 2.039 121.949 119.800 0.183 0.000 2.357 484 Q HA 0.256 4.589 4.340 -0.012 0.000 0.266 484 Q C -0.566 175.424 176.000 -0.016 0.000 1.021 484 Q CA -0.686 55.085 55.803 -0.053 0.000 0.784 484 Q CB 1.313 29.749 28.738 -0.504 0.000 1.243 484 Q HN 0.514 nan 8.270 nan 0.000 0.465 485 V N 2.113 122.021 119.914 -0.012 0.000 2.924 485 V HA 0.640 4.753 4.120 -0.012 0.000 0.305 485 V C -0.274 175.796 176.094 -0.040 0.000 1.073 485 V CA -0.526 61.774 62.300 -0.001 0.000 1.098 485 V CB 1.238 33.063 31.823 0.003 0.000 1.000 485 V HN 0.865 nan 8.190 nan 0.000 0.484 486 R N 1.956 122.412 120.500 -0.072 0.000 2.584 486 R HA 0.506 4.839 4.340 -0.012 0.000 0.276 486 R C -1.171 175.075 176.300 -0.091 0.000 1.046 486 R CA -0.521 55.522 56.100 -0.096 0.000 0.906 486 R CB 2.342 32.514 30.300 -0.214 0.000 1.215 486 R HN 0.984 nan 8.270 nan 0.000 0.449 487 E N 4.240 124.405 120.200 -0.058 0.000 2.191 487 E HA 0.370 4.712 4.350 -0.012 0.000 0.274 487 E C -2.333 174.234 176.600 -0.054 0.000 0.948 487 E CA -2.191 54.178 56.400 -0.051 0.000 0.802 487 E CB 1.821 31.503 29.700 -0.030 0.000 1.137 487 E HN 0.379 nan 8.360 nan 0.000 0.397 488 P HA -0.119 nan 4.420 nan 0.000 0.263 488 P C 0.685 177.964 177.300 -0.036 0.000 1.175 488 P CA 1.126 64.193 63.100 -0.055 0.000 0.761 488 P CB 0.562 32.233 31.700 -0.047 0.000 0.794 489 G N 2.035 110.816 108.800 -0.031 0.000 2.308 489 G HA2 -0.222 3.731 3.960 -0.012 0.000 0.221 489 G HA3 -0.222 3.731 3.960 -0.012 0.000 0.221 489 G C 0.102 174.999 174.900 -0.005 0.000 1.032 489 G CA -0.370 44.721 45.100 -0.016 0.000 0.623 489 G HN 0.589 nan 8.290 nan 0.000 0.506 490 Q N 1.034 120.831 119.800 -0.005 0.000 2.289 490 Q HA 0.326 4.658 4.340 -0.012 0.000 0.273 490 Q C 0.439 176.460 176.000 0.035 0.000 1.029 490 Q CA 0.171 55.983 55.803 0.015 0.000 0.896 490 Q CB 0.810 29.559 28.738 0.018 0.000 1.182 490 Q HN 0.370 nan 8.270 nan 0.000 0.385 491 D N 1.507 121.933 120.400 0.044 0.000 2.259 491 D HA 0.053 4.686 4.640 -0.012 0.000 0.216 491 D C 0.119 176.474 176.300 0.092 0.000 0.961 491 D CA 0.653 54.691 54.000 0.062 0.000 0.878 491 D CB 0.439 41.266 40.800 0.044 0.000 1.009 491 D HN 0.344 nan 8.370 nan 0.000 0.490 492 L N 1.061 122.330 121.223 0.077 0.000 2.346 492 L HA 0.488 4.820 4.340 -0.012 0.000 0.274 492 L C -1.189 175.737 176.870 0.092 0.000 1.007 492 L CA -0.638 54.254 54.840 0.087 0.000 0.818 492 L CB 1.954 44.048 42.059 0.060 0.000 1.284 492 L HN -0.163 nan 8.230 nan 0.000 0.424 493 V N 2.375 122.362 119.914 0.121 0.000 2.932 493 V HA 0.684 4.796 4.120 -0.012 0.000 0.307 493 V C -0.671 175.498 176.094 0.125 0.000 1.147 493 V CA -0.785 61.571 62.300 0.094 0.000 0.951 493 V CB 1.438 33.307 31.823 0.078 0.000 1.031 493 V HN 0.641 nan 8.190 nan 0.000 0.426 494 V N 1.658 121.617 119.914 0.075 0.000 2.384 494 V HA 0.757 4.869 4.120 -0.012 0.000 0.287 494 V C -0.321 175.801 176.094 0.047 0.000 1.020 494 V CA -0.677 61.677 62.300 0.091 0.000 0.850 494 V CB 1.201 33.054 31.823 0.049 0.000 0.987 494 V HN 1.051 nan 8.190 nan 0.000 0.436 495 L N 7.921 129.201 121.223 0.095 0.000 2.313 495 L HA 0.639 4.971 4.340 -0.012 0.000 0.282 495 L C -2.395 174.474 176.870 -0.003 0.000 1.092 495 L CA -1.554 53.285 54.840 -0.000 0.000 0.831 495 L CB 1.072 43.118 42.059 -0.022 0.000 1.159 495 L HN 0.530 nan 8.230 nan 0.000 0.442 496 P HA 0.213 nan 4.420 nan 0.000 0.274 496 P C -1.049 176.228 177.300 -0.038 0.000 1.504 496 P CA -0.380 62.705 63.100 -0.026 0.000 1.011 496 P CB 0.900 32.587 31.700 -0.021 0.000 1.366 497 L N 3.792 124.981 121.223 -0.057 0.000 2.275 497 L HA 0.401 4.733 4.340 -0.012 0.000 0.288 497 L C 0.115 176.890 176.870 -0.159 0.000 1.046 497 L CA -0.076 54.714 54.840 -0.084 0.000 0.805 497 L CB 1.054 43.062 42.059 -0.085 0.000 1.193 497 L HN 0.260 nan 8.230 nan 0.000 0.426 498 S N 5.796 121.400 115.700 -0.160 0.000 2.430 498 S HA 0.506 4.968 4.470 -0.012 0.000 0.289 498 S C -0.129 174.214 174.600 -0.427 0.000 1.143 498 S CA -0.838 57.236 58.200 -0.210 0.000 1.067 498 S CB 0.483 63.620 63.200 -0.105 0.000 0.964 498 S HN 0.402 nan 8.310 nan 0.000 0.485 499 I N 4.828 125.064 120.570 -0.556 0.000 2.406 499 I HA 0.149 4.312 4.170 -0.012 0.000 0.293 499 I C 1.416 177.295 176.117 -0.396 0.000 1.101 499 I CA 0.131 60.904 61.300 -0.878 0.000 1.334 499 I CB -0.632 37.022 38.000 -0.577 0.000 1.421 499 I HN 0.868 nan 8.210 nan 0.000 0.513 500 T N 1.480 115.926 114.554 -0.179 0.000 2.849 500 T HA 0.230 4.573 4.350 -0.012 0.000 0.276 500 T C 1.506 176.310 174.700 0.172 0.000 0.971 500 T CA 0.061 62.213 62.100 0.087 0.000 0.949 500 T CB 1.055 70.032 68.868 0.182 0.000 1.093 500 T HN 0.675 nan 8.240 nan 0.000 0.545 501 T N -1.669 112.952 114.554 0.112 0.000 2.929 501 T HA -0.096 4.247 4.350 -0.012 0.000 0.271 501 T C 1.165 175.932 174.700 0.112 0.000 1.085 501 T CA 1.149 63.304 62.100 0.093 0.000 1.125 501 T CB -0.722 68.186 68.868 0.066 0.000 0.874 501 T HN 0.608 nan 8.240 nan 0.000 0.494 502 D N 0.629 121.107 120.400 0.130 0.000 2.351 502 D HA 0.005 4.637 4.640 -0.012 0.000 0.216 502 D C 1.076 177.309 176.300 -0.111 0.000 0.968 502 D CA 0.661 54.659 54.000 -0.003 0.000 0.899 502 D CB -0.369 40.370 40.800 -0.102 0.000 0.907 502 D HN 0.541 nan 8.370 nan 0.000 0.514 503 F N 0.275 120.181 119.950 -0.073 0.000 2.698 503 F HA 0.189 4.708 4.527 -0.012 0.000 0.295 503 F C 1.247 177.029 175.800 -0.031 0.000 1.124 503 F CA -0.305 57.658 58.000 -0.061 0.000 1.426 503 F CB 0.137 39.054 39.000 -0.137 0.000 1.120 503 F HN -0.216 nan 8.300 nan 0.000 0.583 504 I N 3.179 123.756 120.570 0.012 0.000 2.813 504 I HA -0.043 4.120 4.170 -0.012 0.000 0.287 504 I C -1.152 174.764 176.117 -0.335 0.000 1.196 504 I CA -1.139 59.997 61.300 -0.274 0.000 1.421 504 I CB 0.440 38.172 38.000 -0.447 0.000 1.365 504 I HN -0.148 nan 8.210 nan 0.000 0.591 505 P HA 0.014 nan 4.420 nan 0.000 0.245 505 P C -0.231 176.951 177.300 -0.197 0.000 1.206 505 P CA 0.517 63.314 63.100 -0.505 0.000 0.781 505 P CB 0.328 31.770 31.700 -0.430 0.000 0.994 506 S N -0.872 114.788 115.700 -0.066 0.000 2.683 506 S HA 0.607 5.070 4.470 -0.012 0.000 0.264 506 S C -1.398 173.241 174.600 0.064 0.000 1.066 506 S CA -0.949 57.182 58.200 -0.115 0.000 0.846 506 S CB 0.376 63.439 63.200 -0.229 0.000 1.114 506 S HN 0.113 nan 8.310 nan 0.000 0.476 507 F N -1.256 118.582 119.950 -0.187 0.000 2.741 507 F HA 0.852 5.372 4.527 -0.012 0.000 0.311 507 F C -1.230 174.533 175.800 -0.061 0.000 1.149 507 F CA -1.180 56.787 58.000 -0.055 0.000 0.930 507 F CB 1.230 40.246 39.000 0.027 0.000 1.312 507 F HN 0.783 nan 8.300 nan 0.000 0.450 508 R N 1.837 122.517 120.500 0.301 0.000 2.562 508 R HA 0.615 4.948 4.340 -0.012 0.000 0.298 508 R C -1.825 174.688 176.300 0.354 0.000 0.961 508 R CA -1.100 55.135 56.100 0.225 0.000 0.881 508 R CB 2.051 32.486 30.300 0.225 0.000 1.159 508 R HN 0.663 nan 8.270 nan 0.000 0.450 509 L N 5.241 126.622 121.223 0.264 0.000 2.276 509 L HA 0.419 4.752 4.340 -0.012 0.000 0.286 509 L C -0.982 175.980 176.870 0.153 0.000 1.024 509 L CA -0.480 54.520 54.840 0.267 0.000 0.826 509 L CB 1.539 43.735 42.059 0.228 0.000 1.211 509 L HN 0.379 nan 8.230 nan 0.000 0.422 510 V N 3.586 123.612 119.914 0.187 0.000 2.532 510 V HA 0.903 5.015 4.120 -0.012 0.000 0.295 510 V C 0.246 176.455 176.094 0.191 0.000 1.041 510 V CA -0.691 61.670 62.300 0.101 0.000 0.926 510 V CB 1.298 33.167 31.823 0.077 0.000 0.992 510 V HN 0.889 nan 8.190 nan 0.000 0.457 511 A N 4.007 126.899 122.820 0.121 0.000 2.515 511 A HA 0.950 5.262 4.320 -0.012 0.000 0.298 511 A C -1.392 176.372 177.584 0.301 0.000 1.059 511 A CA -0.637 51.583 52.037 0.306 0.000 0.698 511 A CB 1.922 21.120 19.000 0.331 0.000 1.289 511 A HN 1.521 nan 8.150 nan 0.000 0.404 512 Y N -0.356 120.113 120.300 0.282 0.000 2.581 512 Y HA 0.773 5.316 4.550 -0.012 0.000 0.337 512 Y C -1.353 174.776 175.900 0.381 0.000 1.108 512 Y CA -1.402 56.817 58.100 0.198 0.000 1.033 512 Y CB 0.982 39.510 38.460 0.113 0.000 1.318 512 Y HN 1.143 nan 8.280 nan 0.000 0.459 513 Y N -0.163 120.259 120.300 0.203 0.000 2.576 513 Y HA 0.870 5.413 4.550 -0.012 0.000 0.346 513 Y C -1.046 174.892 175.900 0.063 0.000 1.018 513 Y CA -1.141 56.977 58.100 0.030 0.000 1.050 513 Y CB 1.995 40.478 38.460 0.039 0.000 1.280 513 Y HN 0.923 nan 8.280 nan 0.000 0.474 514 T N 3.634 118.279 114.554 0.151 0.000 2.903 514 T HA 0.783 5.125 4.350 -0.012 0.000 0.299 514 T C -1.411 173.306 174.700 0.028 0.000 1.093 514 T CA -0.542 61.576 62.100 0.030 0.000 1.002 514 T CB 1.043 69.873 68.868 -0.064 0.000 1.127 514 T HN 1.133 nan 8.240 nan 0.000 0.488 515 L N 1.253 122.472 121.223 -0.007 0.000 2.801 515 L HA 0.780 5.113 4.340 -0.012 0.000 0.264 515 L C -1.756 175.087 176.870 -0.045 0.000 1.086 515 L CA -1.350 53.482 54.840 -0.013 0.000 0.920 515 L CB 1.751 43.820 42.059 0.016 0.000 1.529 515 L HN 0.567 nan 8.230 nan 0.000 0.399 516 I N 1.364 121.912 120.570 -0.036 0.000 2.337 516 I HA 0.674 4.836 4.170 -0.012 0.000 0.285 516 I C 0.454 176.515 176.117 -0.094 0.000 1.041 516 I CA -0.236 61.033 61.300 -0.051 0.000 1.199 516 I CB 0.868 38.855 38.000 -0.021 0.000 1.370 516 I HN 0.763 nan 8.210 nan 0.000 0.470 517 G N 3.187 111.875 108.800 -0.186 0.000 2.597 517 G HA2 0.664 4.616 3.960 -0.012 0.000 0.317 517 G HA3 0.664 4.616 3.960 -0.012 0.000 0.317 517 G C 0.443 175.173 174.900 -0.282 0.000 1.230 517 G CA 0.007 44.844 45.100 -0.438 0.000 0.996 517 G HN 0.805 nan 8.290 nan 0.000 0.490 518 A N -0.483 122.144 122.820 -0.322 0.000 4.832 518 A HA -0.287 4.026 4.320 -0.012 0.000 0.351 518 A C 1.964 179.540 177.584 -0.014 0.000 1.699 518 A CA 2.793 54.782 52.037 -0.081 0.000 0.731 518 A CB -1.884 17.073 19.000 -0.070 0.000 1.480 518 A HN 1.977 nan 8.150 nan 0.000 0.447 519 S N -2.118 113.565 115.700 -0.028 0.000 3.006 519 S HA 0.521 4.983 4.470 -0.012 0.000 0.225 519 S C 1.348 175.940 174.600 -0.013 0.000 1.097 519 S CA 0.947 59.143 58.200 -0.008 0.000 1.260 519 S CB 0.611 63.806 63.200 -0.009 0.000 1.085 519 S HN 1.855 nan 8.310 nan 0.000 0.568 520 G N 1.227 110.019 108.800 -0.013 0.000 3.210 520 G HA2 0.123 4.075 3.960 -0.012 0.000 0.220 520 G HA3 0.123 4.075 3.960 -0.012 0.000 0.220 520 G C 0.078 174.960 174.900 -0.029 0.000 1.200 520 G CA -0.095 44.995 45.100 -0.017 0.000 0.834 520 G HN 0.465 nan 8.290 nan 0.000 0.524 521 Q N 0.620 120.396 119.800 -0.039 0.000 2.244 521 Q HA 0.093 4.426 4.340 -0.012 0.000 0.278 521 Q C 0.169 176.130 176.000 -0.065 0.000 1.093 521 Q CA 0.037 55.809 55.803 -0.051 0.000 0.916 521 Q CB 1.073 29.774 28.738 -0.062 0.000 1.159 521 Q HN 0.211 nan 8.270 nan 0.000 0.384 522 R N 2.797 123.260 120.500 -0.062 0.000 2.298 522 R HA 0.121 4.454 4.340 -0.012 0.000 0.310 522 R C -0.707 175.527 176.300 -0.110 0.000 1.068 522 R CA 0.126 56.178 56.100 -0.079 0.000 0.957 522 R CB 0.541 30.799 30.300 -0.070 0.000 1.003 522 R HN 0.543 nan 8.270 nan 0.000 0.454 523 E N 3.361 123.483 120.200 -0.131 0.000 2.210 523 E HA 0.415 4.758 4.350 -0.012 0.000 0.266 523 E C -1.401 175.056 176.600 -0.238 0.000 0.883 523 E CA -0.944 55.352 56.400 -0.174 0.000 0.761 523 E CB 1.648 31.270 29.700 -0.129 0.000 1.156 523 E HN 0.381 nan 8.360 nan 0.000 0.412 524 V N 4.273 123.938 119.914 -0.415 0.000 2.555 524 V HA 0.459 4.572 4.120 -0.012 0.000 0.302 524 V C -0.579 175.283 176.094 -0.387 0.000 1.038 524 V CA -0.714 61.297 62.300 -0.481 0.000 0.887 524 V CB 1.836 33.132 31.823 -0.877 0.000 0.991 524 V HN 0.498 nan 8.190 nan 0.000 0.434 525 V N 3.433 123.119 119.914 -0.380 0.000 2.577 525 V HA 0.920 5.033 4.120 -0.012 0.000 0.303 525 V C 0.015 175.964 176.094 -0.242 0.000 1.042 525 V CA -0.368 61.713 62.300 -0.365 0.000 0.872 525 V CB 1.594 32.897 31.823 -0.867 0.000 0.998 525 V HN 1.057 nan 8.190 nan 0.000 0.423 526 A N 3.284 126.066 122.820 -0.062 0.000 2.515 526 A HA 0.960 5.273 4.320 -0.012 0.000 0.296 526 A C -1.471 176.022 177.584 -0.152 0.000 1.094 526 A CA -0.469 51.506 52.037 -0.103 0.000 0.718 526 A CB 2.224 21.030 19.000 -0.324 0.000 1.307 526 A HN 0.784 nan 8.150 nan 0.000 0.408 527 D N -0.966 119.342 120.400 -0.154 0.000 2.609 527 D HA 0.669 5.302 4.640 -0.012 0.000 0.239 527 D C -0.813 175.397 176.300 -0.149 0.000 1.229 527 D CA 0.473 54.374 54.000 -0.165 0.000 0.808 527 D CB 2.098 42.778 40.800 -0.200 0.000 1.448 527 D HN 0.907 nan 8.370 nan 0.000 0.433 528 S N 0.215 115.844 115.700 -0.118 0.000 2.564 528 S HA 0.780 5.243 4.470 -0.012 0.000 0.274 528 S C -1.638 172.924 174.600 -0.063 0.000 1.124 528 S CA -0.766 57.393 58.200 -0.069 0.000 0.869 528 S CB 1.667 64.857 63.200 -0.018 0.000 1.105 528 S HN 0.554 nan 8.310 nan 0.000 0.472 529 V N 2.054 121.943 119.914 -0.042 0.000 2.841 529 V HA 0.738 4.850 4.120 -0.012 0.000 0.310 529 V C -1.918 174.177 176.094 0.001 0.000 1.090 529 V CA -0.710 61.563 62.300 -0.044 0.000 0.930 529 V CB 1.918 33.660 31.823 -0.136 0.000 1.014 529 V HN 1.055 nan 8.190 nan 0.000 0.425 530 W N 6.600 127.812 121.300 -0.147 0.000 2.361 530 W HA 0.730 5.385 4.660 -0.009 0.000 0.309 530 W C -1.256 175.084 176.519 -0.299 0.000 1.122 530 W CA -0.353 56.879 57.345 -0.189 0.000 1.208 530 W CB 1.465 30.854 29.460 -0.118 0.000 1.246 530 W HN 0.483 nan 8.180 nan 0.000 0.490 531 V N 6.221 125.343 119.914 -1.320 0.000 2.604 531 V HA 0.214 4.327 4.120 -0.012 0.000 0.305 531 V C -0.976 174.137 176.094 -1.635 0.000 1.043 531 V CA -0.798 60.681 62.300 -1.369 0.000 0.888 531 V CB 1.839 32.826 31.823 -1.394 0.000 0.995 531 V HN 0.441 nan 8.190 nan 0.000 0.429 532 D N 3.299 122.986 120.400 -1.189 0.000 2.472 532 D HA 0.393 5.026 4.640 -0.012 0.000 0.234 532 D C -0.219 175.834 176.300 -0.411 0.000 1.088 532 D CA -0.183 53.292 54.000 -0.875 0.000 0.882 532 D CB 1.369 41.718 40.800 -0.752 0.000 1.037 532 D HN 0.261 nan 8.370 nan 0.000 0.520 533 V N 3.307 123.057 119.914 -0.274 0.000 2.872 533 V HA -0.008 4.104 4.120 -0.012 0.000 0.307 533 V C 0.885 176.879 176.094 -0.165 0.000 1.072 533 V CA -0.192 62.027 62.300 -0.134 0.000 1.148 533 V CB 0.523 32.324 31.823 -0.037 0.000 0.954 533 V HN 0.488 nan 8.190 nan 0.000 0.490 534 K N 2.929 123.249 120.400 -0.133 0.000 2.412 534 K HA 0.086 4.398 4.320 -0.012 0.000 0.281 534 K C -0.421 176.075 176.600 -0.173 0.000 1.027 534 K CA -0.034 56.178 56.287 -0.124 0.000 0.989 534 K CB 0.214 32.662 32.500 -0.088 0.000 0.935 534 K HN 0.659 nan 8.250 nan 0.000 0.475 535 D N 1.853 122.141 120.400 -0.187 0.000 2.350 535 D HA 0.273 4.905 4.640 -0.012 0.000 0.249 535 D C -0.547 175.679 176.300 -0.123 0.000 1.119 535 D CA 0.381 54.208 54.000 -0.288 0.000 0.886 535 D CB 1.056 41.715 40.800 -0.236 0.000 1.195 535 D HN 0.654 nan 8.370 nan 0.000 0.437 536 S N 0.358 116.005 115.700 -0.089 0.000 2.643 536 S HA 0.292 4.755 4.470 -0.012 0.000 0.266 536 S C -0.511 174.260 174.600 0.286 0.000 1.130 536 S CA -1.008 57.251 58.200 0.100 0.000 0.817 536 S CB 0.038 63.256 63.200 0.029 0.000 1.107 536 S HN 0.480 nan 8.310 nan 0.000 0.471 537 C N 1.251 120.694 119.300 0.238 0.000 2.741 537 C HA 0.272 4.724 4.460 -0.012 0.000 0.403 537 C C 2.395 177.507 174.990 0.203 0.000 1.282 537 C CA 0.080 59.236 59.018 0.230 0.000 2.053 537 C CB -0.100 27.694 27.740 0.091 0.000 2.731 537 C HN 0.671 nan 8.230 nan 0.000 0.680 538 V N 2.437 122.478 119.914 0.212 0.000 2.255 538 V HA 0.057 4.170 4.120 -0.012 0.000 0.243 538 V C 1.756 177.901 176.094 0.085 0.000 1.038 538 V CA 2.283 64.673 62.300 0.149 0.000 1.008 538 V CB -1.259 30.657 31.823 0.156 0.000 0.645 538 V HN 1.085 nan 8.190 nan 0.000 0.449 539 G N -0.334 108.506 108.800 0.066 0.000 2.928 539 G HA2 0.463 4.416 3.960 -0.012 0.000 0.163 539 G HA3 0.463 4.416 3.960 -0.012 0.000 0.163 539 G C -0.163 174.759 174.900 0.037 0.000 1.573 539 G CA 0.591 45.717 45.100 0.043 0.000 1.084 539 G HN 0.696 nan 8.290 nan 0.000 0.569 540 S N -2.165 113.550 115.700 0.025 0.000 2.596 540 S HA 0.678 5.141 4.470 -0.012 0.000 0.270 540 S C -1.625 172.981 174.600 0.009 0.000 1.155 540 S CA -0.685 57.526 58.200 0.018 0.000 0.827 540 S CB 2.028 65.239 63.200 0.019 0.000 1.130 540 S HN 1.189 nan 8.310 nan 0.000 0.467 541 L N 0.808 122.034 121.223 0.004 0.000 2.565 541 L HA 0.807 5.139 4.340 -0.012 0.000 0.261 541 L C -2.014 174.857 176.870 0.002 0.000 0.932 541 L CA -0.170 54.670 54.840 -0.000 0.000 0.878 541 L CB 1.925 43.975 42.059 -0.014 0.000 1.333 541 L HN 0.822 nan 8.230 nan 0.000 0.409 542 V N 5.003 124.920 119.914 0.006 0.000 2.711 542 V HA 0.568 4.680 4.120 -0.012 0.000 0.304 542 V C -0.921 175.179 176.094 0.011 0.000 1.097 542 V CA -0.684 61.621 62.300 0.008 0.000 0.906 542 V CB 2.322 34.151 31.823 0.009 0.000 1.015 542 V HN 0.461 nan 8.190 nan 0.000 0.427 543 V N 5.922 125.843 119.914 0.012 0.000 2.398 543 V HA 0.643 4.756 4.120 -0.012 0.000 0.286 543 V C -0.078 176.025 176.094 0.016 0.000 1.026 543 V CA -0.589 61.721 62.300 0.016 0.000 0.868 543 V CB 1.601 33.435 31.823 0.019 0.000 0.982 543 V HN 0.986 nan 8.190 nan 0.000 0.443 544 K N 1.708 122.118 120.400 0.016 0.000 2.509 544 K HA 0.571 4.884 4.320 -0.012 0.000 0.266 544 K C -0.340 176.270 176.600 0.016 0.000 0.987 544 K CA -0.687 55.610 56.287 0.016 0.000 0.868 544 K CB 1.857 34.365 32.500 0.014 0.000 1.421 544 K HN 0.387 nan 8.250 nan 0.000 0.444 545 S N 0.950 116.660 115.700 0.017 0.000 2.711 545 S HA 0.035 4.498 4.470 -0.012 0.000 0.335 545 S C 1.240 175.849 174.600 0.014 0.000 1.175 545 S CA 0.225 58.434 58.200 0.016 0.000 1.372 545 S CB -1.083 62.127 63.200 0.017 0.000 1.337 545 S HN 0.743 nan 8.310 nan 0.000 0.572 546 G N 3.535 112.343 108.800 0.014 0.000 2.446 546 G HA2 -0.176 3.777 3.960 -0.012 0.000 0.217 546 G HA3 -0.176 3.777 3.960 -0.012 0.000 0.217 546 G C 0.563 175.469 174.900 0.011 0.000 1.168 546 G CA 0.219 45.327 45.100 0.012 0.000 0.771 546 G HN 0.763 nan 8.290 nan 0.000 0.551 547 Q N 1.777 121.584 119.800 0.011 0.000 2.292 547 Q HA 0.136 4.469 4.340 -0.012 0.000 0.290 547 Q C 0.408 176.414 176.000 0.010 0.000 1.161 547 Q CA -0.132 55.677 55.803 0.010 0.000 0.974 547 Q CB 0.137 28.880 28.738 0.009 0.000 1.136 547 Q HN 0.466 nan 8.270 nan 0.000 0.398 548 S N 3.574 119.279 115.700 0.009 0.000 3.205 548 S HA -0.087 4.376 4.470 -0.012 0.000 0.381 548 S C 0.161 174.766 174.600 0.009 0.000 1.122 548 S CA 0.072 58.277 58.200 0.008 0.000 1.485 548 S CB -0.053 63.151 63.200 0.007 0.000 1.058 548 S HN 0.802 nan 8.310 nan 0.000 0.570 549 E N 1.104 121.310 120.200 0.010 0.000 2.681 549 E HA -0.165 4.178 4.350 -0.012 0.000 0.326 549 E C -0.886 175.722 176.600 0.012 0.000 1.348 549 E CA 1.759 58.166 56.400 0.011 0.000 1.147 549 E CB -1.374 28.332 29.700 0.009 0.000 1.796 549 E HN 0.724 nan 8.360 nan 0.000 0.571 550 D N 1.483 121.890 120.400 0.011 0.000 2.385 550 D HA 0.768 5.401 4.640 -0.012 0.000 0.254 550 D C -0.375 175.932 176.300 0.012 0.000 1.053 550 D CA -0.200 53.807 54.000 0.013 0.000 0.992 550 D CB 0.762 41.569 40.800 0.012 0.000 1.145 550 D HN 0.372 nan 8.370 nan 0.000 0.523 551 R N -0.351 120.157 120.500 0.014 0.000 4.924 551 R HA -0.063 4.270 4.340 -0.012 0.000 0.195 551 R C -1.377 174.933 176.300 0.017 0.000 0.840 551 R CA -0.336 55.773 56.100 0.013 0.000 0.923 551 R CB -0.759 29.547 30.300 0.010 0.000 1.395 551 R HN 0.597 nan 8.270 nan 0.000 0.513 552 Q N 2.116 121.926 119.800 0.016 0.000 2.357 552 Q HA 0.505 4.837 4.340 -0.012 0.000 0.266 552 Q C -1.872 174.136 176.000 0.014 0.000 1.021 552 Q CA -1.725 54.090 55.803 0.020 0.000 0.784 552 Q CB 1.581 30.334 28.738 0.026 0.000 1.243 552 Q HN 0.250 nan 8.270 nan 0.000 0.465 553 P HA 0.130 nan 4.420 nan 0.000 0.274 553 P C -0.709 176.594 177.300 0.005 0.000 1.237 553 P CA -0.400 62.706 63.100 0.010 0.000 0.793 553 P CB 1.002 32.710 31.700 0.013 0.000 0.977 554 V N 3.041 122.954 119.914 -0.001 0.000 2.743 554 V HA 0.236 4.349 4.120 -0.012 0.000 0.301 554 V C -1.975 174.115 176.094 -0.006 0.000 1.057 554 V CA -1.932 60.364 62.300 -0.008 0.000 1.006 554 V CB 0.855 32.672 31.823 -0.011 0.000 1.024 554 V HN 0.608 nan 8.190 nan 0.000 0.473 555 P HA 0.141 nan 4.420 nan 0.000 0.261 555 P C 0.736 178.032 177.300 -0.007 0.000 1.173 555 P CA 1.448 64.543 63.100 -0.009 0.000 0.760 555 P CB 0.253 31.944 31.700 -0.016 0.000 0.783 556 G N 1.373 110.171 108.800 -0.003 0.000 2.168 556 G HA2 -0.310 3.643 3.960 -0.012 0.000 0.263 556 G HA3 -0.310 3.643 3.960 -0.012 0.000 0.263 556 G C 0.254 175.153 174.900 -0.002 0.000 0.977 556 G CA 0.304 45.402 45.100 -0.003 0.000 0.659 556 G HN 0.746 nan 8.290 nan 0.000 0.533 557 Q N 0.156 119.956 119.800 -0.001 0.000 2.340 557 Q HA 0.472 4.805 4.340 -0.012 0.000 0.249 557 Q C 0.363 176.365 176.000 0.003 0.000 0.957 557 Q CA -0.311 55.492 55.803 0.000 0.000 0.882 557 Q CB 0.442 29.180 28.738 0.000 0.000 1.235 557 Q HN 0.523 nan 8.270 nan 0.000 0.439 558 Q N 2.311 122.112 119.800 0.003 0.000 2.340 558 Q HA 0.405 4.737 4.340 -0.012 0.000 0.249 558 Q C -0.525 175.478 176.000 0.006 0.000 0.957 558 Q CA 0.113 55.918 55.803 0.004 0.000 0.882 558 Q CB 0.970 29.709 28.738 0.003 0.000 1.235 558 Q HN 0.689 nan 8.270 nan 0.000 0.439 559 M N -1.111 118.493 119.600 0.008 0.000 2.682 559 M HA 0.513 4.986 4.480 -0.012 0.000 0.272 559 M C -1.431 174.875 176.300 0.010 0.000 1.232 559 M CA -0.831 54.475 55.300 0.009 0.000 0.849 559 M CB 2.252 34.858 32.600 0.011 0.000 1.695 559 M HN 0.247 nan 8.290 nan 0.000 0.481 560 T N 2.632 117.193 114.554 0.011 0.000 2.770 560 T HA 0.632 4.974 4.350 -0.012 0.000 0.283 560 T C -0.828 173.879 174.700 0.013 0.000 0.988 560 T CA -0.511 61.596 62.100 0.011 0.000 0.957 560 T CB 0.959 69.834 68.868 0.010 0.000 0.930 560 T HN 0.427 nan 8.240 nan 0.000 0.443 561 L N 3.356 124.587 121.223 0.014 0.000 2.375 561 L HA 0.480 4.812 4.340 -0.012 0.000 0.271 561 L C 0.459 177.338 176.870 0.015 0.000 1.107 561 L CA -0.138 54.712 54.840 0.016 0.000 0.806 561 L CB 0.841 42.910 42.059 0.018 0.000 1.146 561 L HN 0.494 nan 8.230 nan 0.000 0.447 562 K N 3.706 124.115 120.400 0.016 0.000 2.449 562 K HA 0.483 4.795 4.320 -0.012 0.000 0.257 562 K C -1.123 175.487 176.600 0.016 0.000 0.989 562 K CA -0.527 55.769 56.287 0.015 0.000 0.916 562 K CB 0.601 33.110 32.500 0.014 0.000 1.136 562 K HN 0.422 nan 8.250 nan 0.000 0.439 563 I N 3.223 123.804 120.570 0.018 0.000 2.396 563 I HA 0.185 4.348 4.170 -0.012 0.000 0.292 563 I C -0.147 175.982 176.117 0.020 0.000 0.999 563 I CA -0.088 61.223 61.300 0.018 0.000 1.310 563 I CB 1.456 39.468 38.000 0.019 0.000 1.404 563 I HN 0.478 nan 8.210 nan 0.000 0.496 564 E N 4.029 124.240 120.200 0.019 0.000 2.246 564 E HA 0.743 5.086 4.350 -0.012 0.000 0.266 564 E C -0.353 176.260 176.600 0.021 0.000 0.880 564 E CA -0.667 55.746 56.400 0.021 0.000 0.762 564 E CB 2.300 32.011 29.700 0.018 0.000 1.180 564 E HN 0.803 nan 8.360 nan 0.000 0.416 565 G N 1.988 110.805 108.800 0.028 0.000 2.490 565 G HA2 0.116 4.068 3.960 -0.012 0.000 0.308 565 G HA3 0.116 4.068 3.960 -0.012 0.000 0.308 565 G C -1.412 173.514 174.900 0.044 0.000 1.286 565 G CA -0.828 44.289 45.100 0.028 0.000 0.825 565 G HN 0.396 nan 8.290 nan 0.000 0.479 566 D N 0.847 121.272 120.400 0.041 0.000 2.417 566 D HA 0.211 4.844 4.640 -0.012 0.000 0.250 566 D C 0.399 176.750 176.300 0.084 0.000 1.166 566 D CA 0.422 54.459 54.000 0.061 0.000 0.881 566 D CB 0.917 41.743 40.800 0.043 0.000 1.164 566 D HN 0.408 nan 8.370 nan 0.000 0.467 567 H N 0.830 119.906 119.070 0.010 0.000 3.140 567 H HA 0.110 4.659 4.556 -0.012 0.000 0.316 567 H C 1.517 176.852 175.328 0.011 0.000 0.986 567 H CA 1.631 57.685 56.048 0.010 0.000 1.397 567 H CB 0.262 30.029 29.762 0.009 0.000 1.377 567 H HN 0.664 nan 8.280 nan 0.000 0.585 568 G N 2.493 111.013 108.800 -0.466 0.000 2.363 568 G HA2 -0.278 3.674 3.960 -0.012 0.000 0.238 568 G HA3 -0.278 3.674 3.960 -0.012 0.000 0.238 568 G C 0.628 175.444 174.900 -0.140 0.000 1.062 568 G CA 0.187 45.072 45.100 -0.359 0.000 0.629 568 G HN 1.147 nan 8.290 nan 0.000 0.514 569 A N 0.615 123.392 122.820 -0.072 0.000 2.520 569 A HA 0.527 4.840 4.320 -0.012 0.000 0.235 569 A C 0.778 178.353 177.584 -0.015 0.000 1.065 569 A CA 1.262 53.283 52.037 -0.027 0.000 0.764 569 A CB 0.093 19.089 19.000 -0.007 0.000 1.002 569 A HN 1.236 nan 8.150 nan 0.000 0.502 570 R N 1.944 122.446 120.500 0.004 0.000 2.254 570 R HA 0.499 4.832 4.340 -0.012 0.000 0.318 570 R C -1.446 174.876 176.300 0.036 0.000 1.031 570 R CA -0.328 55.784 56.100 0.019 0.000 0.905 570 R CB 0.704 31.022 30.300 0.030 0.000 1.050 570 R HN 0.424 nan 8.270 nan 0.000 0.456 571 V N 6.318 126.252 119.914 0.034 0.000 2.398 571 V HA 0.320 4.432 4.120 -0.012 0.000 0.286 571 V C -0.193 175.935 176.094 0.057 0.000 1.026 571 V CA -0.759 61.565 62.300 0.039 0.000 0.868 571 V CB 1.429 33.267 31.823 0.025 0.000 0.982 571 V HN 0.669 nan 8.190 nan 0.000 0.443 572 V N 4.342 124.309 119.914 0.088 0.000 2.459 572 V HA 0.755 4.868 4.120 -0.012 0.000 0.295 572 V C -0.602 175.545 176.094 0.088 0.000 1.029 572 V CA -0.621 61.739 62.300 0.100 0.000 0.874 572 V CB 1.410 33.325 31.823 0.154 0.000 0.985 572 V HN 0.642 nan 8.190 nan 0.000 0.438 573 L N 4.840 126.102 121.223 0.066 0.000 2.330 573 L HA 0.903 5.236 4.340 -0.012 0.000 0.271 573 L C -0.371 176.536 176.870 0.062 0.000 1.013 573 L CA -0.881 53.994 54.840 0.057 0.000 0.816 573 L CB 2.064 44.148 42.059 0.041 0.000 1.287 573 L HN 0.655 nan 8.230 nan 0.000 0.435 574 V N 1.093 121.045 119.914 0.064 0.000 2.969 574 V HA 0.845 4.958 4.120 -0.012 0.000 0.304 574 V C -1.375 174.756 176.094 0.061 0.000 1.192 574 V CA -0.263 62.076 62.300 0.065 0.000 0.962 574 V CB 2.123 33.999 31.823 0.087 0.000 1.045 574 V HN 0.818 nan 8.190 nan 0.000 0.428 575 A N 5.688 128.535 122.820 0.046 0.000 2.304 575 A HA 0.860 5.173 4.320 -0.012 0.000 0.314 575 A C -1.193 176.403 177.584 0.020 0.000 1.187 575 A CA -0.487 51.574 52.037 0.040 0.000 0.810 575 A CB 1.566 20.583 19.000 0.028 0.000 1.183 575 A HN 1.073 nan 8.150 nan 0.000 0.487 576 V N 2.897 122.822 119.914 0.018 0.000 2.495 576 V HA 0.255 4.367 4.120 -0.012 0.000 0.298 576 V C -0.253 175.748 176.094 -0.155 0.000 1.031 576 V CA -0.804 61.447 62.300 -0.081 0.000 0.871 576 V CB 1.797 33.566 31.823 -0.091 0.000 0.988 576 V HN 0.965 nan 8.190 nan 0.000 0.432 577 D N 3.611 123.896 120.400 -0.193 0.000 2.450 577 D HA 0.029 4.662 4.640 -0.012 0.000 0.247 577 D C 1.041 177.144 176.300 -0.328 0.000 1.162 577 D CA 0.271 54.164 54.000 -0.177 0.000 0.879 577 D CB 1.087 41.810 40.800 -0.128 0.000 1.163 577 D HN 0.507 nan 8.370 nan 0.000 0.472 578 K N 2.253 122.540 120.400 -0.190 0.000 2.360 578 K HA -0.087 4.226 4.320 -0.012 0.000 0.201 578 K C 1.825 178.298 176.600 -0.213 0.000 1.046 578 K CA 0.819 57.005 56.287 -0.170 0.000 0.945 578 K CB -0.014 32.523 32.500 0.062 0.000 0.750 578 K HN 0.601 nan 8.250 nan 0.000 0.464 579 G N 0.774 109.458 108.800 -0.195 0.000 2.440 579 G HA2 -0.242 3.711 3.960 -0.012 0.000 0.218 579 G HA3 -0.242 3.711 3.960 -0.012 0.000 0.218 579 G C 1.469 176.213 174.900 -0.260 0.000 1.154 579 G CA 0.820 45.817 45.100 -0.171 0.000 0.767 579 G HN 0.121 nan 8.290 nan 0.000 0.552 580 V N 0.863 120.533 119.914 -0.406 0.000 2.278 580 V HA -0.230 3.883 4.120 -0.012 0.000 0.251 580 V C 2.537 178.441 176.094 -0.317 0.000 1.062 580 V CA 1.899 63.923 62.300 -0.461 0.000 1.038 580 V CB -0.735 30.728 31.823 -0.599 0.000 0.646 580 V HN 0.337 nan 8.190 nan 0.000 0.447 581 F N -0.260 119.623 119.950 -0.111 0.000 2.451 581 F HA -0.040 4.480 4.527 -0.012 0.000 0.299 581 F C 2.200 177.939 175.800 -0.103 0.000 1.101 581 F CA 0.298 58.244 58.000 -0.091 0.000 1.436 581 F CB -1.441 37.524 39.000 -0.059 0.000 1.074 581 F HN -0.008 nan 8.300 nan 0.000 0.553 582 V N -0.588 119.329 119.914 0.006 0.000 2.427 582 V HA -0.229 3.883 4.120 -0.012 0.000 0.248 582 V C 2.318 178.352 176.094 -0.100 0.000 1.051 582 V CA 1.153 63.412 62.300 -0.068 0.000 1.048 582 V CB -0.501 31.237 31.823 -0.141 0.000 0.666 582 V HN 0.179 nan 8.190 nan 0.000 0.456 583 L N -0.502 120.635 121.223 -0.144 0.000 2.102 583 L HA 0.214 4.547 4.340 -0.012 0.000 0.202 583 L C 0.973 177.780 176.870 -0.104 0.000 1.076 583 L CA 1.388 56.123 54.840 -0.175 0.000 0.761 583 L CB -0.672 41.173 42.059 -0.357 0.000 0.921 583 L HN 0.469 nan 8.230 nan 0.000 0.444 584 N N -0.428 118.236 118.700 -0.059 0.000 2.406 584 N HA 0.127 4.859 4.740 -0.012 0.000 0.283 584 N C -0.609 174.966 175.510 0.108 0.000 1.074 584 N CA -0.077 52.980 53.050 0.013 0.000 0.916 584 N CB 1.656 40.148 38.487 0.009 0.000 1.639 584 N HN 0.189 nan 8.380 nan 0.000 0.485 585 K N 1.517 121.966 120.400 0.081 0.000 2.644 585 K HA 0.312 4.624 4.320 -0.012 0.000 0.198 585 K C -0.591 176.013 176.600 0.007 0.000 1.113 585 K CA -0.466 55.854 56.287 0.056 0.000 1.073 585 K CB 0.438 32.934 32.500 -0.007 0.000 0.811 585 K HN 0.248 nan 8.250 nan 0.000 0.508 586 K N 1.419 121.847 120.400 0.046 0.000 2.090 586 K HA 0.150 4.463 4.320 -0.012 0.000 0.250 586 K C -0.279 176.365 176.600 0.072 0.000 1.004 586 K CA -0.361 55.954 56.287 0.046 0.000 0.919 586 K CB 0.522 33.054 32.500 0.053 0.000 1.045 586 K HN 0.365 nan 8.250 nan 0.000 0.471 587 N N 0.022 118.764 118.700 0.069 0.000 2.707 587 N HA -0.246 4.487 4.740 -0.012 0.000 0.253 587 N C -1.191 174.377 175.510 0.098 0.000 0.998 587 N CA 0.843 53.949 53.050 0.093 0.000 0.751 587 N CB -1.366 37.194 38.487 0.122 0.000 0.920 587 N HN 0.445 nan 8.380 nan 0.000 0.539 588 K N -0.168 120.262 120.400 0.050 0.000 2.218 588 K HA 0.320 4.633 4.320 -0.012 0.000 0.276 588 K C 0.085 176.705 176.600 0.034 0.000 1.022 588 K CA -0.993 55.315 56.287 0.035 0.000 0.946 588 K CB 0.727 33.194 32.500 -0.054 0.000 1.000 588 K HN 0.160 nan 8.250 nan 0.000 0.468 589 L N 2.250 123.502 121.223 0.048 0.000 2.360 589 L HA 0.150 4.483 4.340 -0.012 0.000 0.276 589 L C -0.351 176.489 176.870 -0.049 0.000 1.121 589 L CA 1.108 55.960 54.840 0.020 0.000 0.845 589 L CB 1.000 43.085 42.059 0.043 0.000 1.143 589 L HN 0.498 nan 8.230 nan 0.000 0.452 590 T N 3.155 117.662 114.554 -0.079 0.000 2.952 590 T HA 0.184 4.527 4.350 -0.012 0.000 0.305 590 T C 0.341 174.952 174.700 -0.148 0.000 1.064 590 T CA -0.291 61.754 62.100 -0.091 0.000 1.008 590 T CB 1.879 70.720 68.868 -0.045 0.000 1.078 590 T HN 0.690 nan 8.240 nan 0.000 0.459 591 Q N 2.079 121.792 119.800 -0.145 0.000 2.124 591 Q HA -0.076 4.257 4.340 -0.012 0.000 0.202 591 Q C 2.126 178.054 176.000 -0.120 0.000 0.977 591 Q CA 2.511 58.191 55.803 -0.206 0.000 0.850 591 Q CB -0.174 28.501 28.738 -0.105 0.000 0.901 591 Q HN 0.707 nan 8.270 nan 0.000 0.429 592 S N -0.724 114.988 115.700 0.019 0.000 2.453 592 S HA -0.067 4.395 4.470 -0.012 0.000 0.231 592 S C 1.693 176.335 174.600 0.070 0.000 1.005 592 S CA 0.757 59.029 58.200 0.119 0.000 0.949 592 S CB -0.151 63.118 63.200 0.116 0.000 0.774 592 S HN 0.318 nan 8.310 nan 0.000 0.510 593 K N 1.201 121.602 120.400 0.002 0.000 2.057 593 K HA 0.052 4.364 4.320 -0.012 0.000 0.207 593 K C 1.998 178.590 176.600 -0.014 0.000 1.049 593 K CA 1.678 57.976 56.287 0.019 0.000 0.931 593 K CB -0.454 32.062 32.500 0.026 0.000 0.714 593 K HN 0.420 nan 8.250 nan 0.000 0.440 594 I N -0.588 119.849 120.570 -0.222 0.000 2.127 594 I HA -0.285 3.877 4.170 -0.012 0.000 0.241 594 I C 2.006 177.950 176.117 -0.288 0.000 1.075 594 I CA 1.585 62.628 61.300 -0.428 0.000 1.334 594 I CB -0.477 36.951 38.000 -0.954 0.000 1.040 594 I HN 0.334 nan 8.210 nan 0.000 0.405 595 W N 1.200 122.457 121.300 -0.072 0.000 2.374 595 W HA -0.237 4.415 4.660 -0.014 0.000 0.288 595 W C 2.272 178.796 176.519 0.009 0.000 1.218 595 W CA 0.908 58.235 57.345 -0.030 0.000 1.245 595 W CB -0.396 29.055 29.460 -0.015 0.000 1.126 595 W HN 0.204 nan 8.180 nan 0.000 0.545 596 D N -0.166 120.363 120.400 0.214 0.000 2.183 596 D HA -0.151 4.482 4.640 -0.012 0.000 0.203 596 D C 1.992 178.378 176.300 0.143 0.000 0.969 596 D CA 1.123 55.223 54.000 0.166 0.000 0.842 596 D CB -0.100 40.778 40.800 0.129 0.000 0.957 596 D HN -0.091 nan 8.370 nan 0.000 0.484 597 V N -0.214 119.776 119.914 0.127 0.000 2.261 597 V HA -0.225 3.887 4.120 -0.012 0.000 0.246 597 V C 2.626 178.772 176.094 0.086 0.000 1.047 597 V CA 1.389 63.763 62.300 0.123 0.000 1.015 597 V CB -0.460 31.454 31.823 0.151 0.000 0.642 597 V HN 0.137 nan 8.190 nan 0.000 0.446 598 V N -0.333 119.582 119.914 0.002 0.000 2.282 598 V HA -0.335 3.778 4.120 -0.012 0.000 0.249 598 V C 2.383 178.607 176.094 0.216 0.000 1.057 598 V CA 2.440 64.780 62.300 0.066 0.000 1.032 598 V CB -0.616 31.311 31.823 0.174 0.000 0.645 598 V HN 0.607 nan 8.190 nan 0.000 0.447 599 E N -0.731 119.601 120.200 0.220 0.000 2.274 599 E HA -0.165 4.178 4.350 -0.012 0.000 0.194 599 E C 2.187 178.881 176.600 0.157 0.000 0.996 599 E CA 0.530 57.051 56.400 0.200 0.000 0.840 599 E CB 0.026 29.845 29.700 0.197 0.000 0.772 599 E HN 0.519 nan 8.360 nan 0.000 0.491 600 K N -0.288 120.202 120.400 0.150 0.000 2.288 600 K HA 0.008 4.320 4.320 -0.012 0.000 0.201 600 K C 1.413 178.103 176.600 0.150 0.000 1.048 600 K CA 0.769 57.132 56.287 0.127 0.000 0.956 600 K CB 0.253 32.823 32.500 0.117 0.000 0.746 600 K HN -0.019 nan 8.250 nan 0.000 0.461 601 A N 1.218 124.165 122.820 0.212 0.000 2.327 601 A HA -0.007 4.305 4.320 -0.012 0.000 0.228 601 A C -0.201 177.503 177.584 0.201 0.000 1.275 601 A CA -0.138 52.044 52.037 0.241 0.000 0.875 601 A CB -0.236 19.013 19.000 0.414 0.000 0.925 601 A HN 0.145 nan 8.150 nan 0.000 0.493 602 D N 0.337 120.840 120.400 0.170 0.000 2.390 602 D HA 0.204 4.836 4.640 -0.012 0.000 0.249 602 D C 1.297 177.673 176.300 0.127 0.000 1.144 602 D CA -0.179 53.918 54.000 0.162 0.000 0.880 602 D CB 0.495 41.387 40.800 0.153 0.000 1.182 602 D HN 0.387 nan 8.370 nan 0.000 0.451 603 I N 0.678 121.326 120.570 0.130 0.000 3.564 603 I HA 0.325 4.487 4.170 -0.012 0.000 0.294 603 I C 0.892 177.073 176.117 0.106 0.000 1.289 603 I CA -0.371 60.992 61.300 0.106 0.000 1.325 603 I CB -0.103 37.956 38.000 0.099 0.000 1.039 603 I HN 0.206 nan 8.210 nan 0.000 0.474 604 G N 0.053 108.922 108.800 0.116 0.000 2.367 604 G HA2 0.446 4.399 3.960 -0.012 0.000 0.314 604 G HA3 0.446 4.399 3.960 -0.012 0.000 0.314 604 G C -0.051 174.889 174.900 0.066 0.000 1.130 604 G CA -0.437 44.727 45.100 0.106 0.000 0.864 604 G HN 0.417 nan 8.290 nan 0.000 0.486 605 c N 0.598 119.229 118.600 0.052 0.000 3.491 605 c HA 0.406 4.968 4.570 -0.012 0.000 0.298 605 c C 0.827 174.918 174.090 0.001 0.000 1.424 605 c CA -0.282 56.061 56.329 0.024 0.000 1.772 605 c CB -0.854 41.681 42.510 0.043 0.000 2.447 605 c HN 0.636 nan 8.230 nan 0.000 0.670 606 T N 2.592 117.151 114.554 0.008 0.000 2.916 606 T HA 0.318 4.660 4.350 -0.012 0.000 0.298 606 T C -2.080 172.607 174.700 -0.021 0.000 1.031 606 T CA -0.404 61.706 62.100 0.018 0.000 0.993 606 T CB 2.284 71.212 68.868 0.099 0.000 1.045 606 T HN -0.072 nan 8.240 nan 0.000 0.454 607 P HA 0.215 nan 4.420 nan 0.000 0.242 607 P C 0.529 177.888 177.300 0.098 0.000 1.197 607 P CA 0.396 63.461 63.100 -0.058 0.000 0.765 607 P CB 0.037 31.664 31.700 -0.121 0.000 0.936 608 G N -2.282 106.584 108.800 0.110 0.000 2.350 608 G HA2 0.308 4.261 3.960 -0.012 0.000 0.305 608 G HA3 0.308 4.261 3.960 -0.012 0.000 0.305 608 G C -0.650 174.350 174.900 0.168 0.000 1.479 608 G CA 0.005 45.174 45.100 0.115 0.000 0.949 608 G HN 0.072 nan 8.290 nan 0.000 0.651 609 S N -2.157 113.615 115.700 0.121 0.000 3.307 609 S HA 0.384 4.846 4.470 -0.012 0.000 0.634 609 S C 0.850 175.544 174.600 0.158 0.000 2.711 609 S CA 1.966 60.260 58.200 0.158 0.000 2.940 609 S CB -0.917 62.437 63.200 0.257 0.000 0.331 609 S HN 2.976 nan 8.310 nan 0.000 1.766 610 G N -0.479 108.337 108.800 0.026 0.000 2.349 610 G HA2 0.472 4.425 3.960 -0.012 0.000 0.294 610 G HA3 0.472 4.425 3.960 -0.012 0.000 0.294 610 G C -0.104 174.187 174.900 -1.014 0.000 1.380 610 G CA 0.336 45.143 45.100 -0.488 0.000 0.811 610 G HN 0.931 nan 8.290 nan 0.000 0.519 611 K N -0.866 118.871 120.400 -1.104 0.000 2.097 611 K HA 0.157 4.469 4.320 -0.012 0.000 0.205 611 K C 0.596 176.816 176.600 -0.635 0.000 1.050 611 K CA 2.005 57.838 56.287 -0.757 0.000 0.938 611 K CB -0.138 32.116 32.500 -0.410 0.000 0.718 611 K HN 0.600 nan 8.250 nan 0.000 0.442 612 D N -1.543 118.484 120.400 -0.622 0.000 3.009 612 D HA 0.016 4.648 4.640 -0.012 0.000 0.318 612 D C 0.871 176.907 176.300 -0.440 0.000 1.273 612 D CA -0.699 52.825 54.000 -0.794 0.000 1.001 612 D CB -0.274 40.190 40.800 -0.561 0.000 1.411 612 D HN 0.043 nan 8.370 nan 0.000 0.577 613 Y N -1.156 119.002 120.300 -0.237 0.000 2.220 613 Y HA 0.277 4.820 4.550 -0.011 0.000 0.291 613 Y C 2.188 178.151 175.900 0.104 0.000 1.129 613 Y CA 1.239 59.346 58.100 0.012 0.000 1.161 613 Y CB -0.999 37.469 38.460 0.012 0.000 0.997 613 Y HN 0.352 nan 8.280 nan 0.000 0.522 614 A N 1.305 123.725 122.820 -0.667 0.000 2.015 614 A HA 0.061 4.373 4.320 -0.012 0.000 0.219 614 A C 2.386 179.911 177.584 -0.098 0.000 1.163 614 A CA 1.294 53.135 52.037 -0.328 0.000 0.646 614 A CB -1.520 17.144 19.000 -0.560 0.000 0.806 614 A HN 0.638 nan 8.150 nan 0.000 0.448 615 G N -0.494 108.199 108.800 -0.177 0.000 2.404 615 G HA2 -0.076 3.876 3.960 -0.012 0.000 0.215 615 G HA3 -0.076 3.876 3.960 -0.012 0.000 0.215 615 G C 1.509 176.394 174.900 -0.026 0.000 1.174 615 G CA 1.089 46.122 45.100 -0.112 0.000 0.780 615 G HN 0.261 nan 8.290 nan 0.000 0.537 616 V N 0.478 120.376 119.914 -0.027 0.000 2.255 616 V HA -0.179 3.934 4.120 -0.012 0.000 0.247 616 V C 2.546 178.622 176.094 -0.030 0.000 1.051 616 V CA 1.884 64.161 62.300 -0.039 0.000 1.018 616 V CB -0.617 31.158 31.823 -0.081 0.000 0.641 616 V HN 0.325 nan 8.190 nan 0.000 0.445 617 F N 0.199 120.174 119.950 0.043 0.000 2.075 617 F HA -0.182 4.337 4.527 -0.014 0.000 0.297 617 F C 2.807 178.651 175.800 0.075 0.000 1.113 617 F CA 2.107 60.149 58.000 0.070 0.000 1.218 617 F CB -0.888 38.160 39.000 0.080 0.000 0.984 617 F HN 0.003 nan 8.300 nan 0.000 0.472 618 S N -0.414 115.432 115.700 0.244 0.000 2.368 618 S HA -0.176 4.286 4.470 -0.012 0.000 0.224 618 S C 1.645 176.319 174.600 0.124 0.000 1.029 618 S CA 1.352 59.648 58.200 0.159 0.000 0.988 618 S CB -0.385 62.880 63.200 0.107 0.000 0.838 618 S HN 0.292 nan 8.310 nan 0.000 0.462 619 D N 1.593 122.055 120.400 0.103 0.000 2.158 619 D HA -0.066 4.567 4.640 -0.012 0.000 0.197 619 D C 1.816 178.182 176.300 0.109 0.000 0.995 619 D CA 1.246 55.305 54.000 0.098 0.000 0.846 619 D CB -0.309 40.551 40.800 0.100 0.000 0.941 619 D HN 0.419 nan 8.370 nan 0.000 0.456 620 A N -0.733 122.160 122.820 0.122 0.000 2.206 620 A HA 0.391 4.704 4.320 -0.012 0.000 0.211 620 A C 1.681 179.358 177.584 0.156 0.000 1.158 620 A CA 1.181 53.301 52.037 0.137 0.000 0.761 620 A CB -0.089 18.987 19.000 0.127 0.000 0.801 620 A HN 0.287 nan 8.150 nan 0.000 0.473 621 G N -1.554 107.338 108.800 0.153 0.000 2.135 621 G HA2 -0.124 3.828 3.960 -0.012 0.000 0.183 621 G HA3 -0.124 3.828 3.960 -0.012 0.000 0.183 621 G C -0.230 174.769 174.900 0.165 0.000 1.004 621 G CA 0.092 45.281 45.100 0.147 0.000 0.677 621 G HN 0.438 nan 8.290 nan 0.000 0.512 622 L N 0.631 121.977 121.223 0.206 0.000 2.354 622 L HA 0.784 5.116 4.340 -0.012 0.000 0.264 622 L C 0.596 177.593 176.870 0.212 0.000 1.008 622 L CA -0.689 54.292 54.840 0.235 0.000 0.819 622 L CB 2.384 44.654 42.059 0.352 0.000 1.339 622 L HN 0.304 nan 8.230 nan 0.000 0.420 623 T N -1.332 113.309 114.554 0.145 0.000 2.829 623 T HA 0.591 4.934 4.350 -0.012 0.000 0.282 623 T C -0.859 173.834 174.700 -0.011 0.000 0.990 623 T CA -0.447 61.697 62.100 0.072 0.000 1.028 623 T CB 1.439 70.333 68.868 0.043 0.000 0.951 623 T HN 0.313 nan 8.240 nan 0.000 0.460 624 F N 2.396 122.165 119.950 -0.302 0.000 2.507 624 F HA 0.663 5.182 4.527 -0.013 0.000 0.325 624 F C -0.705 174.941 175.800 -0.258 0.000 1.116 624 F CA -0.283 57.410 58.000 -0.513 0.000 0.930 624 F CB 2.007 40.285 39.000 -1.203 0.000 1.146 624 F HN 0.842 nan 8.300 nan 0.000 0.447 625 T N 3.126 117.079 114.554 -1.003 0.000 2.993 625 T HA 0.590 4.932 4.350 -0.012 0.000 0.312 625 T C -1.076 173.168 174.700 -0.760 0.000 1.115 625 T CA -0.930 60.782 62.100 -0.647 0.000 1.027 625 T CB 1.447 70.137 68.868 -0.296 0.000 1.116 625 T HN 0.672 nan 8.240 nan 0.000 0.464 626 S N 0.168 115.573 115.700 -0.493 0.000 2.595 626 S HA 0.588 5.051 4.470 -0.012 0.000 0.281 626 S C 1.170 175.677 174.600 -0.155 0.000 1.117 626 S CA -0.205 57.796 58.200 -0.333 0.000 0.873 626 S CB 1.675 64.713 63.200 -0.269 0.000 1.108 626 S HN 0.792 nan 8.310 nan 0.000 0.477 627 S N 1.134 116.768 115.700 -0.109 0.000 2.474 627 S HA -0.047 4.416 4.470 -0.012 0.000 0.235 627 S C 1.328 175.905 174.600 -0.038 0.000 0.997 627 S CA 0.990 59.168 58.200 -0.038 0.000 0.949 627 S CB -0.745 62.478 63.200 0.039 0.000 0.766 627 S HN 0.646 nan 8.310 nan 0.000 0.517 628 S N 0.702 116.368 115.700 -0.057 0.000 2.562 628 S HA 0.420 4.882 4.470 -0.012 0.000 0.221 628 S C 1.415 176.002 174.600 -0.021 0.000 0.975 628 S CA 0.393 58.569 58.200 -0.040 0.000 0.918 628 S CB -0.068 63.104 63.200 -0.047 0.000 0.772 628 S HN 1.054 nan 8.310 nan 0.000 0.531 629 G N 1.213 109.998 108.800 -0.025 0.000 2.130 629 G HA2 -0.201 3.751 3.960 -0.012 0.000 0.216 629 G HA3 -0.201 3.751 3.960 -0.012 0.000 0.216 629 G C -0.347 174.574 174.900 0.035 0.000 0.999 629 G CA -0.542 44.554 45.100 -0.007 0.000 0.686 629 G HN 0.418 nan 8.290 nan 0.000 0.515 630 Q N 0.480 120.317 119.800 0.061 0.000 2.294 630 Q HA 0.620 4.952 4.340 -0.012 0.000 0.257 630 Q C 0.368 176.498 176.000 0.217 0.000 0.955 630 Q CA 0.193 56.125 55.803 0.216 0.000 0.936 630 Q CB 0.998 29.881 28.738 0.243 0.000 1.188 630 Q HN 0.822 nan 8.270 nan 0.000 0.420 631 Q N -0.426 119.527 119.800 0.255 0.000 2.522 631 Q HA 0.630 4.963 4.340 -0.012 0.000 0.285 631 Q C -1.082 174.980 176.000 0.104 0.000 0.982 631 Q CA -1.125 54.760 55.803 0.138 0.000 0.805 631 Q CB 0.845 29.576 28.738 -0.013 0.000 1.457 631 Q HN 0.510 nan 8.270 nan 0.000 0.394 632 T N -0.870 113.724 114.554 0.066 0.000 2.913 632 T HA 0.640 4.983 4.350 -0.012 0.000 0.297 632 T C 0.513 175.213 174.700 -0.001 0.000 1.029 632 T CA -0.188 61.929 62.100 0.029 0.000 1.104 632 T CB 0.999 69.905 68.868 0.064 0.000 0.964 632 T HN 0.747 nan 8.240 nan 0.000 0.532 633 A N 2.698 125.508 122.820 -0.017 0.000 2.386 633 A HA 0.320 4.633 4.320 -0.012 0.000 0.248 633 A C 0.733 178.320 177.584 0.005 0.000 1.082 633 A CA -0.638 51.389 52.037 -0.016 0.000 0.789 633 A CB -0.026 18.959 19.000 -0.026 0.000 1.025 633 A HN 0.804 nan 8.150 nan 0.000 0.490 634 Q N 0.697 120.498 119.800 0.001 0.000 2.274 634 Q HA 0.054 4.387 4.340 -0.012 0.000 0.280 634 Q C 0.102 176.135 176.000 0.055 0.000 1.047 634 Q CA 0.549 56.364 55.803 0.019 0.000 0.907 634 Q CB 0.559 29.293 28.738 -0.008 0.000 1.171 634 Q HN 0.646 nan 8.270 nan 0.000 0.381 635 R N 1.827 122.381 120.500 0.090 0.000 2.207 635 R HA 0.442 4.775 4.340 -0.012 0.000 0.334 635 R C -0.050 176.358 176.300 0.181 0.000 1.013 635 R CA 0.121 56.286 56.100 0.109 0.000 0.858 635 R CB 0.550 30.906 30.300 0.093 0.000 1.094 635 R HN 0.656 nan 8.270 nan 0.000 0.457 636 A N 3.800 126.726 122.820 0.177 0.000 2.259 636 A HA 0.131 4.444 4.320 -0.012 0.000 0.213 636 A C 0.144 177.828 177.584 0.166 0.000 1.209 636 A CA -0.051 52.154 52.037 0.279 0.000 0.910 636 A CB 0.361 19.511 19.000 0.250 0.000 0.946 636 A HN 0.650 nan 8.150 nan 0.000 0.497 637 E N 0.158 120.417 120.200 0.099 0.000 2.167 637 E HA 0.447 4.790 4.350 -0.012 0.000 0.284 637 E C 0.456 177.075 176.600 0.031 0.000 1.016 637 E CA -0.220 56.215 56.400 0.058 0.000 0.817 637 E CB 0.817 30.549 29.700 0.053 0.000 1.080 637 E HN 0.311 nan 8.360 nan 0.000 0.397 638 L N 2.651 123.877 121.223 0.005 0.000 2.622 638 L HA -0.009 4.323 4.340 -0.012 0.000 0.233 638 L C 0.319 177.193 176.870 0.006 0.000 1.156 638 L CA 0.604 55.436 54.840 -0.013 0.000 0.866 638 L CB -0.051 41.986 42.059 -0.036 0.000 0.980 638 L HN 0.507 nan 8.230 nan 0.000 0.448 639 Q N -1.850 117.962 119.800 0.019 0.000 2.421 639 Q HA 0.339 4.671 4.340 -0.012 0.000 0.280 639 Q C -1.173 174.847 176.000 0.034 0.000 1.085 639 Q CA -0.434 55.385 55.803 0.026 0.000 0.807 639 Q CB 2.366 31.115 28.738 0.019 0.000 1.405 639 Q HN -0.023 nan 8.270 nan 0.000 0.419 640 c N 3.905 122.527 118.600 0.037 0.000 2.637 640 c HA 0.384 4.947 4.570 -0.012 0.000 0.418 640 c C -1.865 172.246 174.090 0.034 0.000 1.319 640 c CA -0.921 55.431 56.329 0.039 0.000 1.949 640 c CB -0.420 42.113 42.510 0.038 0.000 2.639 640 c HN 0.599 nan 8.230 nan 0.000 0.594 641 P HA 0.186 nan 4.420 nan 0.000 0.260 641 P C -0.448 176.869 177.300 0.029 0.000 1.185 641 P CA 0.717 63.838 63.100 0.034 0.000 0.763 641 P CB 0.578 32.302 31.700 0.039 0.000 0.776 642 Q N 0.000 119.815 119.800 0.025 0.000 2.315 642 Q HA 0.000 4.333 4.340 -0.012 0.000 0.214 642 Q CA 0.000 55.816 55.803 0.021 0.000 1.022 642 Q CB 0.000 28.750 28.738 0.020 0.000 1.108 642 Q HN 0.000 nan 8.270 nan 0.000 0.481