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 2opx_1_A DATA FIRST_RESID 3 DATA SEQUENCE VPVQHPMYID GQFVTWRGDA WIDVVNPATE AVISRIPDGQ AEDARKAIDA DATA SEQUENCE AERAQPEWEA LPAIERASWL RKISAGIRER ATEISALIVE EGGKIQQLAE DATA SEQUENCE VEVAFTADYI DYMAEWARRY EGEIIQSDRP GENILLFKRA LGVTTGILPW DATA SEQUENCE NFPFFLIARK MAPALLTGNT IVIKPSEFTP NNAIAFAKIV DEIGLPRGVF DATA SEQUENCE NLVLGRGETV GQELAGNPKV AMVSMTGSVS AGEKIMATAA KNITKVCLEL DATA SEQUENCE GGKAPAIVMD DADLELAVKA IVDSRVINSG QVCNCAERVY VQKGIYDQFV DATA SEQUENCE NRLGEAMQAV QFGNPAERND IAMGPLINAA ALERVEQKVA RAVEEGARVA DATA SEQUENCE LGGKAVEGKG YYYPPTLLLD VRQEMSIMHE ETFGPVLPVV AFDTLEEAIS DATA SEQUENCE MANDSDYGLT SSIYTQNLNV AMKAIKGLKF GETYINRENF EAMQGFHAGW DATA SEQUENCE RKSGIGGADG KHGLHEYLQT QVVYLQS 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 3 V HA 0.000 nan 4.120 nan 0.000 0.244 3 V C 0.000 176.046 176.094 -0.080 0.000 1.182 3 V CA 0.000 62.261 62.300 -0.065 0.000 1.235 3 V CB 0.000 31.782 31.823 -0.068 0.000 1.184 4 P HA 0.380 nan 4.420 nan 0.000 0.276 4 P C -0.127 177.068 177.300 -0.176 0.000 1.235 4 P CA -0.079 62.955 63.100 -0.110 0.000 0.772 4 P CB 1.547 33.192 31.700 -0.091 0.000 0.871 5 V N 1.110 120.900 119.914 -0.207 0.000 2.763 5 V HA 0.089 4.209 4.120 0.000 0.000 0.306 5 V C 0.214 176.062 176.094 -0.410 0.000 1.059 5 V CA -0.282 61.837 62.300 -0.301 0.000 1.138 5 V CB 0.016 31.628 31.823 -0.351 0.000 0.940 5 V HN 0.478 nan 8.190 nan 0.000 0.489 6 Q N 3.419 123.007 119.800 -0.354 0.000 2.398 6 Q HA 0.376 4.716 4.340 0.000 0.000 0.251 6 Q C -0.574 175.392 176.000 -0.057 0.000 0.999 6 Q CA -0.377 55.234 55.803 -0.320 0.000 0.874 6 Q CB 0.784 29.198 28.738 -0.539 0.000 1.215 6 Q HN 0.825 nan 8.270 nan 0.000 0.470 7 H N 3.802 122.980 119.070 0.180 0.000 2.732 7 H HA 0.246 4.802 4.556 0.000 0.000 0.351 7 H C -1.949 173.534 175.328 0.259 0.000 1.090 7 H CA -1.427 54.724 56.048 0.172 0.000 1.431 7 H CB 0.546 30.389 29.762 0.135 0.000 1.447 7 H HN 0.407 nan 8.280 nan 0.000 0.582 8 P HA 0.266 nan 4.420 nan 0.000 0.285 8 P C -0.227 177.306 177.300 0.389 0.000 1.280 8 P CA -0.692 62.626 63.100 0.364 0.000 0.862 8 P CB 1.793 33.704 31.700 0.351 0.000 1.153 9 M N 0.913 120.700 119.600 0.311 0.000 2.283 9 M HA 0.261 4.742 4.480 0.000 0.000 0.314 9 M C -0.283 176.223 176.300 0.344 0.000 1.153 9 M CA -0.431 55.022 55.300 0.254 0.000 1.084 9 M CB 0.628 33.291 32.600 0.105 0.000 1.468 9 M HN 0.354 nan 8.290 nan 0.000 0.474 10 Y N 2.125 122.471 120.300 0.076 0.000 2.402 10 Y HA 0.595 5.145 4.550 0.000 0.000 0.332 10 Y C -1.290 174.527 175.900 -0.140 0.000 0.960 10 Y CA -0.506 57.514 58.100 -0.132 0.000 1.228 10 Y CB 0.592 38.890 38.460 -0.271 0.000 1.120 10 Y HN 0.454 nan 8.280 nan 0.000 0.491 11 I N 5.360 125.652 120.570 -0.463 0.000 2.533 11 I HA 0.208 4.378 4.170 0.000 0.000 0.290 11 I C -0.635 175.229 176.117 -0.422 0.000 1.056 11 I CA -1.025 60.066 61.300 -0.348 0.000 1.057 11 I CB 1.884 39.783 38.000 -0.167 0.000 1.240 11 I HN 0.583 nan 8.210 nan 0.000 0.423 12 D N 5.166 125.367 120.400 -0.333 0.000 2.697 12 D HA -0.181 4.459 4.640 0.000 0.000 0.238 12 D C 1.013 177.115 176.300 -0.330 0.000 1.152 12 D CA 1.626 55.466 54.000 -0.266 0.000 0.666 12 D CB -0.720 39.973 40.800 -0.179 0.000 1.037 12 D HN 1.127 nan 8.370 nan 0.000 0.423 13 G N 0.289 108.814 108.800 -0.458 0.000 2.155 13 G HA2 -0.286 3.674 3.960 0.000 0.000 0.257 13 G HA3 -0.286 3.674 3.960 0.000 0.000 0.257 13 G C 0.088 174.686 174.900 -0.503 0.000 0.983 13 G CA 1.167 46.041 45.100 -0.376 0.000 0.676 13 G HN 1.016 nan 8.290 nan 0.000 0.528 14 Q N -1.598 117.653 119.800 -0.915 0.000 2.472 14 Q HA 0.707 5.047 4.340 0.000 0.000 0.281 14 Q C -1.082 174.584 176.000 -0.556 0.000 0.997 14 Q CA -1.325 54.162 55.803 -0.525 0.000 0.828 14 Q CB 0.916 29.552 28.738 -0.171 0.000 1.443 14 Q HN 0.111 nan 8.270 nan 0.000 0.390 15 F N 0.875 120.871 119.950 0.077 0.000 2.456 15 F HA 0.422 4.949 4.527 0.000 0.000 0.358 15 F C -0.155 175.701 175.800 0.093 0.000 1.095 15 F CA -0.253 57.861 58.000 0.190 0.000 1.216 15 F CB 1.521 40.687 39.000 0.276 0.000 1.125 15 F HN 0.307 nan 8.300 nan 0.000 0.549 16 V N 2.691 122.773 119.914 0.280 0.000 2.444 16 V HA 0.292 4.412 4.120 0.000 0.000 0.294 16 V C -0.129 176.117 176.094 0.253 0.000 1.022 16 V CA -1.110 61.307 62.300 0.195 0.000 0.850 16 V CB 1.659 33.548 31.823 0.109 0.000 0.992 16 V HN 0.838 nan 8.190 nan 0.000 0.426 17 T N 1.891 116.584 114.554 0.232 0.000 2.930 17 T HA 0.119 4.469 4.350 0.000 0.000 0.306 17 T C -0.035 174.846 174.700 0.301 0.000 1.045 17 T CA -0.389 61.875 62.100 0.274 0.000 1.134 17 T CB 0.823 69.822 68.868 0.218 0.000 0.961 17 T HN 0.736 nan 8.240 nan 0.000 0.545 18 W N 3.173 124.539 121.300 0.110 0.000 2.216 18 W HA 0.199 4.859 4.660 -0.000 0.000 0.326 18 W C 0.167 176.684 176.519 -0.003 0.000 1.319 18 W CA -1.178 56.142 57.345 -0.041 0.000 1.213 18 W CB 0.598 29.866 29.460 -0.320 0.000 1.171 18 W HN 0.648 nan 8.180 nan 0.000 0.557 19 R N 3.558 123.686 120.500 -0.620 0.000 2.437 19 R HA 0.159 4.499 4.340 0.000 0.000 0.257 19 R C 0.876 176.657 176.300 -0.865 0.000 0.927 19 R CA -0.034 55.741 56.100 -0.542 0.000 1.078 19 R CB 0.384 30.485 30.300 -0.332 0.000 1.161 19 R HN 0.534 nan 8.270 nan 0.000 0.529 20 G N 0.246 107.890 108.800 -1.927 0.000 2.616 20 G HA2 0.066 4.026 3.960 0.000 0.000 0.268 20 G HA3 0.066 4.026 3.960 0.000 0.000 0.268 20 G C 0.138 174.716 174.900 -0.537 0.000 1.213 20 G CA -0.322 43.992 45.100 -1.309 0.000 0.926 20 G HN -0.014 nan 8.290 nan 0.000 0.523 21 D N -0.274 120.037 120.400 -0.149 0.000 2.338 21 D HA 0.133 4.773 4.640 0.000 0.000 0.208 21 D C 1.458 177.881 176.300 0.204 0.000 0.997 21 D CA 0.513 54.560 54.000 0.078 0.000 0.880 21 D CB 0.275 41.112 40.800 0.062 0.000 0.980 21 D HN 0.436 nan 8.370 nan 0.000 0.509 22 A N 0.599 123.508 122.820 0.148 0.000 2.331 22 A HA 0.447 4.767 4.320 0.000 0.000 0.283 22 A C -1.040 176.533 177.584 -0.019 0.000 1.142 22 A CA -0.215 51.915 52.037 0.155 0.000 0.812 22 A CB 0.459 19.529 19.000 0.117 0.000 1.074 22 A HN 0.055 nan 8.150 nan 0.000 0.497 23 W N 0.838 122.212 121.300 0.124 0.000 2.962 23 W HA 0.607 5.267 4.660 0.000 0.000 0.341 23 W C -0.562 175.959 176.519 0.004 0.000 1.155 23 W CA -0.577 56.793 57.345 0.042 0.000 1.165 23 W CB 1.257 30.755 29.460 0.063 0.000 1.435 23 W HN 0.314 nan 8.180 nan 0.000 0.546 24 I N 2.501 123.201 120.570 0.217 0.000 2.378 24 I HA 0.173 4.343 4.170 0.000 0.000 0.291 24 I C -0.250 175.955 176.117 0.145 0.000 0.992 24 I CA -0.905 60.465 61.300 0.118 0.000 1.154 24 I CB 0.841 38.852 38.000 0.019 0.000 1.315 24 I HN 0.321 nan 8.210 nan 0.000 0.448 25 D N 5.536 126.009 120.400 0.121 0.000 2.350 25 D HA 0.209 4.849 4.640 0.000 0.000 0.249 25 D C -0.221 176.147 176.300 0.113 0.000 1.119 25 D CA -0.046 54.017 54.000 0.104 0.000 0.886 25 D CB 2.323 43.174 40.800 0.085 0.000 1.195 25 D HN 0.081 nan 8.370 nan 0.000 0.437 26 V N 3.211 123.191 119.914 0.109 0.000 2.333 26 V HA 0.189 4.310 4.120 0.000 0.000 0.274 26 V C 0.378 176.533 176.094 0.103 0.000 1.028 26 V CA -0.688 61.689 62.300 0.128 0.000 0.851 26 V CB 1.473 33.380 31.823 0.140 0.000 1.000 26 V HN 0.224 nan 8.190 nan 0.000 0.456 27 V N 4.224 124.202 119.914 0.107 0.000 2.532 27 V HA 0.375 4.496 4.120 0.000 0.000 0.295 27 V C 0.427 176.560 176.094 0.064 0.000 1.041 27 V CA -0.867 61.481 62.300 0.080 0.000 0.926 27 V CB 1.949 33.826 31.823 0.089 0.000 0.992 27 V HN 0.860 nan 8.190 nan 0.000 0.457 28 N N 6.600 125.326 118.700 0.044 0.000 2.416 28 N HA 0.124 4.864 4.740 0.000 0.000 0.265 28 N C -1.281 174.233 175.510 0.007 0.000 1.195 28 N CA -1.605 51.459 53.050 0.024 0.000 0.943 28 N CB 1.628 40.123 38.487 0.013 0.000 1.115 28 N HN 0.377 nan 8.380 nan 0.000 0.481 29 P HA -0.105 nan 4.420 nan 0.000 0.226 29 P C 0.507 177.702 177.300 -0.175 0.000 1.146 29 P CA 0.859 63.962 63.100 0.005 0.000 0.773 29 P CB 0.341 32.019 31.700 -0.038 0.000 0.772 30 A N -0.029 122.714 122.820 -0.129 0.000 1.997 30 A HA 0.045 4.365 4.320 0.000 0.000 0.212 30 A C 2.030 179.580 177.584 -0.057 0.000 1.178 30 A CA 1.645 53.616 52.037 -0.110 0.000 0.698 30 A CB -0.928 18.099 19.000 0.044 0.000 0.842 30 A HN 0.345 nan 8.150 nan 0.000 0.458 31 T N -4.778 109.741 114.554 -0.058 0.000 2.975 31 T HA 0.268 4.619 4.350 0.000 0.000 0.257 31 T C 0.404 175.064 174.700 -0.066 0.000 1.003 31 T CA 0.794 62.868 62.100 -0.043 0.000 0.932 31 T CB -0.019 68.843 68.868 -0.011 0.000 1.087 31 T HN 0.458 nan 8.240 nan 0.000 0.512 32 E N 0.167 120.320 120.200 -0.078 0.000 3.496 32 E HA -0.180 4.170 4.350 0.000 0.000 0.300 32 E C 0.326 176.929 176.600 0.004 0.000 0.877 32 E CA 0.269 56.648 56.400 -0.035 0.000 1.050 32 E CB -1.840 27.816 29.700 -0.073 0.000 1.532 32 E HN 0.851 nan 8.360 nan 0.000 0.447 33 A N 0.548 123.368 122.820 0.002 0.000 2.316 33 A HA 0.510 4.830 4.320 0.000 0.000 0.284 33 A C 0.387 177.983 177.584 0.020 0.000 1.115 33 A CA -0.338 51.704 52.037 0.008 0.000 0.812 33 A CB 0.956 19.957 19.000 0.002 0.000 1.064 33 A HN 0.064 nan 8.150 nan 0.000 0.489 34 V N 3.783 123.707 119.914 0.017 0.000 2.427 34 V HA 0.071 4.191 4.120 0.000 0.000 0.268 34 V C 1.259 177.360 176.094 0.012 0.000 1.046 34 V CA 0.397 62.710 62.300 0.021 0.000 0.970 34 V CB 0.213 32.043 31.823 0.011 0.000 1.001 34 V HN 0.778 nan 8.190 nan 0.000 0.476 35 I N 2.389 122.975 120.570 0.027 0.000 3.035 35 I HA 0.259 4.429 4.170 0.000 0.000 0.271 35 I C 0.859 176.983 176.117 0.012 0.000 1.190 35 I CA 0.403 61.718 61.300 0.024 0.000 1.472 35 I CB 0.176 38.203 38.000 0.046 0.000 1.116 35 I HN 0.682 nan 8.210 nan 0.000 0.443 36 S N 0.550 116.262 115.700 0.019 0.000 2.655 36 S HA 0.590 5.060 4.470 0.000 0.000 0.266 36 S C -0.912 173.694 174.600 0.011 0.000 1.149 36 S CA -1.084 57.102 58.200 -0.023 0.000 0.818 36 S CB 2.195 65.413 63.200 0.030 0.000 1.130 36 S HN 0.288 nan 8.310 nan 0.000 0.476 37 R N 0.339 120.826 120.500 -0.022 0.000 2.621 37 R HA 0.714 5.054 4.340 0.000 0.000 0.284 37 R C -0.920 175.539 176.300 0.265 0.000 0.998 37 R CA -0.718 55.435 56.100 0.089 0.000 0.895 37 R CB 1.856 32.125 30.300 -0.052 0.000 1.195 37 R HN 0.825 nan 8.270 nan 0.000 0.450 38 I N -1.235 119.538 120.570 0.338 0.000 2.846 38 I HA 0.648 4.818 4.170 0.000 0.000 0.307 38 I C -2.641 173.548 176.117 0.121 0.000 1.053 38 I CA -3.304 58.173 61.300 0.294 0.000 1.050 38 I CB 2.179 40.258 38.000 0.132 0.000 1.239 38 I HN 0.240 nan 8.210 nan 0.000 0.439 39 P HA 0.027 nan 4.420 nan 0.000 0.269 39 P C -0.949 175.763 177.300 -0.980 0.000 1.209 39 P CA 0.173 62.420 63.100 -1.422 0.000 0.776 39 P CB 0.364 30.846 31.700 -2.030 0.000 0.876 40 D N 2.541 122.404 120.400 -0.895 0.000 2.713 40 D HA 0.173 4.813 4.640 0.000 0.000 0.229 40 D C 0.705 176.707 176.300 -0.498 0.000 1.136 40 D CA -0.160 53.585 54.000 -0.426 0.000 1.010 40 D CB -0.907 39.803 40.800 -0.149 0.000 1.084 40 D HN 0.334 nan 8.370 nan 0.000 0.495 41 G N 1.722 110.104 108.800 -0.696 0.000 2.568 41 G HA2 0.076 4.037 3.960 0.000 0.000 0.231 41 G HA3 0.076 4.037 3.960 0.000 0.000 0.231 41 G C -0.002 174.816 174.900 -0.137 0.000 1.261 41 G CA -0.190 44.597 45.100 -0.522 0.000 0.855 41 G HN 0.481 nan 8.290 nan 0.000 0.576 42 Q N -0.091 119.726 119.800 0.029 0.000 2.306 42 Q HA 0.558 4.899 4.340 0.000 0.000 0.269 42 Q C 1.410 177.420 176.000 0.017 0.000 1.053 42 Q CA -0.516 55.319 55.803 0.053 0.000 0.879 42 Q CB 1.853 30.662 28.738 0.118 0.000 1.344 42 Q HN 0.535 nan 8.270 nan 0.000 0.464 43 A N 0.586 123.410 122.820 0.006 0.000 1.948 43 A HA -0.287 4.033 4.320 0.000 0.000 0.220 43 A C 1.872 179.456 177.584 -0.001 0.000 1.177 43 A CA 2.216 54.249 52.037 -0.007 0.000 0.636 43 A CB -0.558 18.437 19.000 -0.009 0.000 0.815 43 A HN 0.938 nan 8.150 nan 0.000 0.449 44 E N -0.050 120.159 120.200 0.015 0.000 2.097 44 E HA -0.265 4.085 4.350 0.000 0.000 0.196 44 E C 1.236 177.848 176.600 0.020 0.000 1.000 44 E CA 1.578 57.987 56.400 0.015 0.000 0.804 44 E CB -0.224 29.489 29.700 0.022 0.000 0.740 44 E HN 0.648 nan 8.360 nan 0.000 0.454 45 D N -0.072 120.355 120.400 0.045 0.000 2.178 45 D HA -0.141 4.499 4.640 0.000 0.000 0.202 45 D C 1.806 178.100 176.300 -0.010 0.000 0.974 45 D CA 1.168 55.194 54.000 0.043 0.000 0.841 45 D CB -0.063 40.782 40.800 0.076 0.000 0.953 45 D HN 0.307 nan 8.370 nan 0.000 0.478 46 A N 1.344 124.149 122.820 -0.024 0.000 1.929 46 A HA -0.129 4.192 4.320 0.000 0.000 0.216 46 A C 2.191 179.749 177.584 -0.044 0.000 1.176 46 A CA 0.710 52.720 52.037 -0.046 0.000 0.628 46 A CB -0.262 18.709 19.000 -0.047 0.000 0.816 46 A HN 0.086 nan 8.150 nan 0.000 0.444 47 R N 0.032 120.514 120.500 -0.030 0.000 2.073 47 R HA -0.100 4.240 4.340 0.000 0.000 0.234 47 R C 2.116 178.394 176.300 -0.037 0.000 1.134 47 R CA 1.547 57.628 56.100 -0.031 0.000 0.952 47 R CB -0.345 29.942 30.300 -0.022 0.000 0.850 47 R HN 0.493 nan 8.270 nan 0.000 0.433 48 K N 0.558 120.938 120.400 -0.033 0.000 2.063 48 K HA -0.137 4.183 4.320 0.000 0.000 0.208 48 K C 2.203 178.766 176.600 -0.062 0.000 1.048 48 K CA 1.582 57.845 56.287 -0.041 0.000 0.928 48 K CB -0.205 32.277 32.500 -0.030 0.000 0.713 48 K HN 0.152 nan 8.250 nan 0.000 0.442 49 A N 1.406 124.183 122.820 -0.071 0.000 1.898 49 A HA -0.125 4.195 4.320 0.000 0.000 0.216 49 A C 2.127 179.653 177.584 -0.097 0.000 1.181 49 A CA 1.199 53.175 52.037 -0.101 0.000 0.620 49 A CB -0.527 18.405 19.000 -0.113 0.000 0.819 49 A HN 0.173 nan 8.150 nan 0.000 0.442 50 I N -0.085 120.439 120.570 -0.076 0.000 2.226 50 I HA -0.235 3.935 4.170 0.000 0.000 0.245 50 I C 1.810 177.893 176.117 -0.057 0.000 1.100 50 I CA 1.437 62.698 61.300 -0.065 0.000 1.374 50 I CB -0.420 37.550 38.000 -0.050 0.000 1.057 50 I HN 0.268 nan 8.210 nan 0.000 0.413 51 D N 1.072 121.441 120.400 -0.052 0.000 2.117 51 D HA -0.142 4.498 4.640 0.000 0.000 0.197 51 D C 2.254 178.522 176.300 -0.053 0.000 0.987 51 D CA 1.567 55.541 54.000 -0.044 0.000 0.829 51 D CB -0.141 40.636 40.800 -0.039 0.000 0.961 51 D HN 0.345 nan 8.370 nan 0.000 0.460 52 A N 1.060 123.838 122.820 -0.071 0.000 1.930 52 A HA -0.021 4.299 4.320 0.000 0.000 0.217 52 A C 2.314 179.845 177.584 -0.088 0.000 1.175 52 A CA 2.024 54.011 52.037 -0.085 0.000 0.627 52 A CB -0.586 18.345 19.000 -0.114 0.000 0.815 52 A HN 0.231 nan 8.150 nan 0.000 0.443 53 A N -0.363 122.401 122.820 -0.093 0.000 1.933 53 A HA -0.175 4.145 4.320 0.000 0.000 0.218 53 A C 2.034 179.584 177.584 -0.057 0.000 1.175 53 A CA 1.763 53.743 52.037 -0.095 0.000 0.628 53 A CB -0.480 18.462 19.000 -0.097 0.000 0.814 53 A HN 0.675 nan 8.150 nan 0.000 0.444 54 E N -0.371 119.804 120.200 -0.041 0.000 2.072 54 E HA -0.176 4.174 4.350 0.000 0.000 0.191 54 E C 2.279 178.872 176.600 -0.011 0.000 0.985 54 E CA 0.762 57.151 56.400 -0.019 0.000 0.801 54 E CB -0.107 29.582 29.700 -0.018 0.000 0.750 54 E HN 0.558 nan 8.360 nan 0.000 0.452 55 R N -0.100 120.387 120.500 -0.022 0.000 2.073 55 R HA -0.111 4.230 4.340 0.000 0.000 0.234 55 R C 2.355 178.655 176.300 -0.001 0.000 1.134 55 R CA 1.227 57.319 56.100 -0.013 0.000 0.952 55 R CB -0.274 30.011 30.300 -0.024 0.000 0.850 55 R HN 0.166 nan 8.270 nan 0.000 0.433 56 A N 0.691 123.501 122.820 -0.016 0.000 2.014 56 A HA -0.153 4.167 4.320 0.000 0.000 0.218 56 A C 2.076 179.703 177.584 0.072 0.000 1.163 56 A CA 0.734 52.771 52.037 0.001 0.000 0.652 56 A CB -0.321 18.634 19.000 -0.075 0.000 0.808 56 A HN 0.222 nan 8.150 nan 0.000 0.449 57 Q N 0.258 120.094 119.800 0.060 0.000 2.062 57 Q HA -0.188 4.153 4.340 0.000 0.000 0.209 57 Q C -0.504 175.591 176.000 0.159 0.000 0.996 57 Q CA 2.645 58.525 55.803 0.128 0.000 0.859 57 Q CB -1.434 27.351 28.738 0.079 0.000 0.920 57 Q HN 0.424 nan 8.270 nan 0.000 0.415 58 P HA -0.145 nan 4.420 nan 0.000 0.214 58 P C 1.059 178.413 177.300 0.090 0.000 1.163 58 P CA 1.422 64.568 63.100 0.076 0.000 0.889 58 P CB -0.163 31.565 31.700 0.047 0.000 0.790 59 E N -1.744 118.520 120.200 0.106 0.000 2.268 59 E HA -0.156 4.195 4.350 0.000 0.000 0.195 59 E C 1.796 178.499 176.600 0.170 0.000 0.995 59 E CA 0.687 57.154 56.400 0.112 0.000 0.836 59 E CB -0.659 29.103 29.700 0.103 0.000 0.763 59 E HN 0.484 nan 8.360 nan 0.000 0.491 60 W N 1.622 122.925 121.300 0.006 0.000 2.409 60 W HA -0.128 4.532 4.660 0.000 0.000 0.299 60 W C 1.792 178.332 176.519 0.035 0.000 1.203 60 W CA 1.273 58.625 57.345 0.011 0.000 1.298 60 W CB 0.140 29.593 29.460 -0.012 0.000 1.127 60 W HN 0.078 nan 8.180 nan 0.000 0.528 61 E N 0.654 120.886 120.200 0.053 0.000 2.274 61 E HA -0.116 4.234 4.350 0.000 0.000 0.194 61 E C 2.142 178.698 176.600 -0.074 0.000 0.996 61 E CA 1.112 57.480 56.400 -0.053 0.000 0.840 61 E CB -0.221 29.507 29.700 0.047 0.000 0.772 61 E HN 0.151 nan 8.360 nan 0.000 0.491 62 A N 0.808 123.607 122.820 -0.036 0.000 2.066 62 A HA 0.038 4.358 4.320 0.000 0.000 0.218 62 A C 1.071 178.617 177.584 -0.063 0.000 1.157 62 A CA 0.215 52.232 52.037 -0.034 0.000 0.670 62 A CB -0.328 18.672 19.000 -0.001 0.000 0.804 62 A HN 0.226 nan 8.150 nan 0.000 0.453 63 L N 0.560 121.713 121.223 -0.117 0.000 2.461 63 L HA 0.163 4.503 4.340 0.000 0.000 0.272 63 L C -2.210 174.573 176.870 -0.145 0.000 1.197 63 L CA -1.756 53.003 54.840 -0.135 0.000 0.836 63 L CB 0.221 42.142 42.059 -0.231 0.000 1.105 63 L HN 0.061 nan 8.230 nan 0.000 0.477 64 P HA 0.008 nan 4.420 nan 0.000 0.269 64 P C 0.046 177.285 177.300 -0.101 0.000 1.209 64 P CA -0.041 63.010 63.100 -0.082 0.000 0.776 64 P CB 0.884 32.547 31.700 -0.062 0.000 0.876 65 A N 3.092 125.870 122.820 -0.069 0.000 1.917 65 A HA -0.226 4.094 4.320 0.000 0.000 0.219 65 A C 1.952 179.518 177.584 -0.031 0.000 1.182 65 A CA 1.654 53.674 52.037 -0.029 0.000 0.633 65 A CB -1.540 17.483 19.000 0.039 0.000 0.819 65 A HN 0.589 nan 8.150 nan 0.000 0.448 66 I N 0.227 120.772 120.570 -0.042 0.000 2.423 66 I HA -0.211 3.959 4.170 0.000 0.000 0.254 66 I C 2.048 178.134 176.117 -0.053 0.000 1.151 66 I CA 1.723 62.998 61.300 -0.041 0.000 1.421 66 I CB -0.301 37.669 38.000 -0.051 0.000 1.079 66 I HN 0.459 nan 8.210 nan 0.000 0.431 67 E N -0.340 119.819 120.200 -0.068 0.000 2.158 67 E HA -0.123 4.227 4.350 0.000 0.000 0.191 67 E C 2.274 178.875 176.600 0.002 0.000 0.982 67 E CA 0.477 56.833 56.400 -0.072 0.000 0.823 67 E CB -0.064 29.604 29.700 -0.054 0.000 0.766 67 E HN 0.493 nan 8.360 nan 0.000 0.468 68 R N 0.662 121.126 120.500 -0.061 0.000 2.075 68 R HA -0.041 4.299 4.340 0.000 0.000 0.232 68 R C 2.399 178.825 176.300 0.210 0.000 1.126 68 R CA 1.016 57.101 56.100 -0.026 0.000 0.963 68 R CB -0.268 29.836 30.300 -0.326 0.000 0.858 68 R HN 0.069 nan 8.270 nan 0.000 0.435 69 A N 0.605 123.481 122.820 0.094 0.000 1.908 69 A HA -0.215 4.105 4.320 0.000 0.000 0.218 69 A C 2.208 179.837 177.584 0.075 0.000 1.181 69 A CA 1.943 54.033 52.037 0.089 0.000 0.627 69 A CB -0.705 18.313 19.000 0.031 0.000 0.818 69 A HN 0.311 nan 8.150 nan 0.000 0.445 70 S N -1.678 114.024 115.700 0.003 0.000 2.383 70 S HA -0.226 4.244 4.470 0.000 0.000 0.229 70 S C 1.698 176.259 174.600 -0.065 0.000 1.030 70 S CA 1.619 59.762 58.200 -0.095 0.000 1.002 70 S CB -0.485 62.580 63.200 -0.225 0.000 0.829 70 S HN 0.720 nan 8.310 nan 0.000 0.467 71 W N 0.659 122.016 121.300 0.096 0.000 2.388 71 W HA 0.037 4.697 4.660 0.001 0.000 0.294 71 W C 2.011 178.586 176.519 0.094 0.000 1.212 71 W CA -0.151 57.278 57.345 0.139 0.000 1.271 71 W CB -0.248 29.406 29.460 0.325 0.000 1.126 71 W HN 0.278 nan 8.180 nan 0.000 0.535 72 L N 0.404 121.828 121.223 0.334 0.000 2.046 72 L HA -0.159 4.181 4.340 0.000 0.000 0.208 72 L C 2.232 179.169 176.870 0.112 0.000 1.077 72 L CA 1.782 56.743 54.840 0.201 0.000 0.747 72 L CB -1.598 40.565 42.059 0.173 0.000 0.896 72 L HN 0.042 nan 8.230 nan 0.000 0.432 73 R N -0.465 120.083 120.500 0.079 0.000 2.120 73 R HA -0.162 4.179 4.340 0.000 0.000 0.234 73 R C 2.192 178.504 176.300 0.021 0.000 1.123 73 R CA 1.067 57.186 56.100 0.032 0.000 0.975 73 R CB -0.130 30.171 30.300 0.000 0.000 0.866 73 R HN 0.368 nan 8.270 nan 0.000 0.446 74 K N 0.299 120.720 120.400 0.035 0.000 2.097 74 K HA -0.075 4.245 4.320 0.000 0.000 0.205 74 K C 1.988 178.595 176.600 0.011 0.000 1.050 74 K CA 1.118 57.421 56.287 0.026 0.000 0.938 74 K CB -0.019 32.520 32.500 0.065 0.000 0.718 74 K HN 0.179 nan 8.250 nan 0.000 0.442 75 I N 1.046 121.618 120.570 0.003 0.000 2.233 75 I HA -0.272 3.899 4.170 0.000 0.000 0.243 75 I C 2.586 178.636 176.117 -0.111 0.000 1.093 75 I CA 1.255 62.479 61.300 -0.125 0.000 1.380 75 I CB -0.437 37.436 38.000 -0.211 0.000 1.067 75 I HN 0.189 nan 8.210 nan 0.000 0.413 76 S N 1.630 117.314 115.700 -0.027 0.000 2.368 76 S HA -0.178 4.293 4.470 0.000 0.000 0.225 76 S C 2.274 176.885 174.600 0.018 0.000 1.030 76 S CA 0.966 59.177 58.200 0.017 0.000 0.999 76 S CB -0.713 62.516 63.200 0.048 0.000 0.844 76 S HN 0.399 nan 8.310 nan 0.000 0.459 77 A N 1.966 124.790 122.820 0.006 0.000 1.933 77 A HA 0.184 4.504 4.320 0.000 0.000 0.218 77 A C 2.406 179.991 177.584 0.002 0.000 1.175 77 A CA 1.635 53.676 52.037 0.007 0.000 0.628 77 A CB -1.771 17.229 19.000 -0.000 0.000 0.814 77 A HN 0.679 nan 8.150 nan 0.000 0.444 78 G N 0.082 108.870 108.800 -0.020 0.000 2.422 78 G HA2 -0.146 3.814 3.960 0.000 0.000 0.218 78 G HA3 -0.146 3.814 3.960 0.000 0.000 0.218 78 G C 1.401 176.294 174.900 -0.012 0.000 1.146 78 G CA 1.085 46.167 45.100 -0.030 0.000 0.769 78 G HN 0.372 nan 8.290 nan 0.000 0.547 79 I N 1.039 121.611 120.570 0.004 0.000 2.142 79 I HA -0.135 4.036 4.170 0.000 0.000 0.240 79 I C 2.831 178.992 176.117 0.074 0.000 1.078 79 I CA 1.165 62.519 61.300 0.090 0.000 1.343 79 I CB -1.121 36.996 38.000 0.196 0.000 1.046 79 I HN 0.208 nan 8.210 nan 0.000 0.405 80 R N 0.781 121.319 120.500 0.062 0.000 2.105 80 R HA -0.193 4.147 4.340 0.000 0.000 0.239 80 R C 2.025 178.342 176.300 0.028 0.000 1.135 80 R CA 1.367 57.496 56.100 0.049 0.000 0.967 80 R CB -0.353 29.973 30.300 0.043 0.000 0.861 80 R HN 0.541 nan 8.270 nan 0.000 0.442 81 E N 0.084 120.296 120.200 0.020 0.000 2.268 81 E HA -0.131 4.220 4.350 0.000 0.000 0.195 81 E C 1.155 177.761 176.600 0.009 0.000 0.995 81 E CA 0.795 57.203 56.400 0.013 0.000 0.836 81 E CB 0.119 29.825 29.700 0.009 0.000 0.763 81 E HN 0.206 nan 8.360 nan 0.000 0.491 82 R N -0.660 119.845 120.500 0.009 0.000 2.596 82 R HA 0.280 4.620 4.340 0.000 0.000 0.369 82 R C 1.412 177.700 176.300 -0.020 0.000 1.042 82 R CA 0.201 56.300 56.100 -0.002 0.000 1.120 82 R CB 0.689 30.989 30.300 0.001 0.000 1.353 82 R HN 0.031 nan 8.270 nan 0.000 0.564 83 A N 0.862 123.676 122.820 -0.009 0.000 1.884 83 A HA -0.283 4.037 4.320 0.000 0.000 0.219 83 A C 2.188 179.745 177.584 -0.046 0.000 1.197 83 A CA 2.583 54.606 52.037 -0.024 0.000 0.637 83 A CB -1.025 17.982 19.000 0.012 0.000 0.827 83 A HN 0.460 nan 8.150 nan 0.000 0.450 84 T N -1.874 112.666 114.554 -0.024 0.000 2.684 84 T HA -0.243 4.108 4.350 0.000 0.000 0.267 84 T C 1.802 176.480 174.700 -0.036 0.000 1.036 84 T CA 1.724 63.810 62.100 -0.024 0.000 1.148 84 T CB -0.527 68.334 68.868 -0.010 0.000 0.863 84 T HN 0.652 nan 8.240 nan 0.000 0.436 85 E N 0.534 120.714 120.200 -0.034 0.000 2.077 85 E HA -0.146 4.204 4.350 0.000 0.000 0.193 85 E C 2.226 178.787 176.600 -0.065 0.000 0.989 85 E CA 1.286 57.666 56.400 -0.034 0.000 0.800 85 E CB -0.135 29.553 29.700 -0.019 0.000 0.746 85 E HN 0.488 nan 8.360 nan 0.000 0.452 86 I N 1.100 121.598 120.570 -0.119 0.000 2.179 86 I HA -0.213 3.957 4.170 0.000 0.000 0.242 86 I C 2.500 178.482 176.117 -0.225 0.000 1.088 86 I CA 0.971 62.126 61.300 -0.242 0.000 1.357 86 I CB -1.462 36.241 38.000 -0.495 0.000 1.051 86 I HN 0.091 nan 8.210 nan 0.000 0.409 87 S N 1.271 116.872 115.700 -0.166 0.000 2.359 87 S HA -0.224 4.246 4.470 0.000 0.000 0.223 87 S C 2.274 176.839 174.600 -0.059 0.000 1.039 87 S CA 1.709 59.849 58.200 -0.100 0.000 1.042 87 S CB -0.485 62.683 63.200 -0.053 0.000 0.915 87 S HN 0.576 nan 8.310 nan 0.000 0.439 88 A N 1.191 123.985 122.820 -0.043 0.000 1.948 88 A HA -0.095 4.225 4.320 0.000 0.000 0.220 88 A C 2.138 179.716 177.584 -0.010 0.000 1.177 88 A CA 1.393 53.418 52.037 -0.019 0.000 0.636 88 A CB -0.769 18.223 19.000 -0.012 0.000 0.815 88 A HN 0.476 nan 8.150 nan 0.000 0.449 89 L N -0.298 120.913 121.223 -0.020 0.000 2.056 89 L HA -0.167 4.173 4.340 0.000 0.000 0.207 89 L C 2.421 179.301 176.870 0.017 0.000 1.078 89 L CA 0.746 55.590 54.840 0.006 0.000 0.749 89 L CB -0.529 41.532 42.059 0.004 0.000 0.901 89 L HN 0.335 nan 8.230 nan 0.000 0.433 90 I N -0.536 120.028 120.570 -0.010 0.000 2.179 90 I HA -0.233 3.938 4.170 0.000 0.000 0.242 90 I C 2.631 178.761 176.117 0.021 0.000 1.088 90 I CA 1.328 62.639 61.300 0.018 0.000 1.357 90 I CB -1.232 36.768 38.000 0.001 0.000 1.051 90 I HN 0.062 nan 8.210 nan 0.000 0.409 91 V N 1.092 121.010 119.914 0.007 0.000 2.287 91 V HA -0.306 3.814 4.120 0.000 0.000 0.248 91 V C 2.649 178.756 176.094 0.021 0.000 1.053 91 V CA 2.235 64.542 62.300 0.011 0.000 1.027 91 V CB -0.738 31.090 31.823 0.009 0.000 0.646 91 V HN 0.475 nan 8.190 nan 0.000 0.447 92 E N 0.451 120.665 120.200 0.024 0.000 2.017 92 E HA -0.278 4.072 4.350 0.000 0.000 0.193 92 E C 2.287 178.910 176.600 0.038 0.000 0.997 92 E CA 1.834 58.252 56.400 0.030 0.000 0.804 92 E CB -0.157 29.564 29.700 0.033 0.000 0.757 92 E HN 0.859 nan 8.360 nan 0.000 0.448 93 E N -1.015 119.218 120.200 0.056 0.000 2.170 93 E HA -0.021 4.329 4.350 0.000 0.000 0.191 93 E C 2.011 178.654 176.600 0.071 0.000 0.981 93 E CA 0.876 57.320 56.400 0.074 0.000 0.830 93 E CB -0.001 29.764 29.700 0.108 0.000 0.775 93 E HN 0.276 nan 8.360 nan 0.000 0.470 94 G N 0.888 109.730 108.800 0.070 0.000 2.494 94 G HA2 0.122 4.082 3.960 0.000 0.000 0.216 94 G HA3 0.122 4.082 3.960 0.000 0.000 0.216 94 G C 1.247 176.163 174.900 0.027 0.000 1.140 94 G CA 0.208 45.354 45.100 0.077 0.000 0.801 94 G HN 0.555 nan 8.290 nan 0.000 0.536 95 G N 0.148 108.955 108.800 0.011 0.000 2.176 95 G HA2 -0.268 3.692 3.960 0.000 0.000 0.252 95 G HA3 -0.268 3.692 3.960 0.000 0.000 0.252 95 G C 0.299 175.202 174.900 0.004 0.000 1.024 95 G CA 0.794 45.892 45.100 -0.004 0.000 0.755 95 G HN 0.963 nan 8.290 nan 0.000 0.507 96 K N -0.060 120.338 120.400 -0.003 0.000 2.123 96 K HA 0.769 5.089 4.320 0.000 0.000 0.248 96 K C 1.133 177.737 176.600 0.007 0.000 0.969 96 K CA -0.988 55.289 56.287 -0.017 0.000 0.882 96 K CB 1.558 34.008 32.500 -0.082 0.000 1.080 96 K HN 0.655 nan 8.250 nan 0.000 0.441 97 I N -0.432 120.148 120.570 0.016 0.000 2.752 97 I HA -0.080 4.090 4.170 0.000 0.000 0.287 97 I C 0.912 177.038 176.117 0.015 0.000 1.188 97 I CA -0.343 60.973 61.300 0.027 0.000 1.427 97 I CB 0.595 38.616 38.000 0.035 0.000 1.365 97 I HN 0.777 nan 8.210 nan 0.000 0.585 98 Q N 3.173 122.983 119.800 0.016 0.000 2.047 98 Q HA -0.309 4.032 4.340 0.000 0.000 0.211 98 Q C 1.983 177.990 176.000 0.011 0.000 1.005 98 Q CA 2.735 58.544 55.803 0.011 0.000 0.866 98 Q CB -0.237 28.507 28.738 0.010 0.000 0.938 98 Q HN 0.788 nan 8.270 nan 0.000 0.414 99 Q N 0.079 119.887 119.800 0.013 0.000 2.152 99 Q HA -0.183 4.158 4.340 0.000 0.000 0.206 99 Q C 1.894 177.902 176.000 0.014 0.000 0.985 99 Q CA 1.192 57.004 55.803 0.014 0.000 0.863 99 Q CB -0.229 28.518 28.738 0.015 0.000 0.904 99 Q HN 0.251 nan 8.270 nan 0.000 0.422 100 L N -0.107 121.123 121.223 0.013 0.000 2.109 100 L HA 0.028 4.368 4.340 0.000 0.000 0.207 100 L C 1.945 178.837 176.870 0.038 0.000 1.086 100 L CA 1.798 56.649 54.840 0.018 0.000 0.760 100 L CB -0.871 41.193 42.059 0.010 0.000 0.910 100 L HN 0.172 nan 8.230 nan 0.000 0.437 101 A N -0.926 121.906 122.820 0.020 0.000 1.930 101 A HA -0.190 4.130 4.320 0.000 0.000 0.217 101 A C 2.170 179.774 177.584 0.034 0.000 1.175 101 A CA 1.585 53.636 52.037 0.024 0.000 0.627 101 A CB -0.514 18.485 19.000 -0.001 0.000 0.815 101 A HN 0.553 nan 8.150 nan 0.000 0.443 102 E N -0.206 120.009 120.200 0.024 0.000 2.077 102 E HA -0.167 4.183 4.350 0.000 0.000 0.193 102 E C 2.149 178.783 176.600 0.057 0.000 0.989 102 E CA 1.780 58.197 56.400 0.029 0.000 0.800 102 E CB -0.382 29.330 29.700 0.021 0.000 0.746 102 E HN 0.647 nan 8.360 nan 0.000 0.452 103 V N -0.435 119.510 119.914 0.052 0.000 2.358 103 V HA -0.227 3.893 4.120 0.000 0.000 0.246 103 V C 2.238 178.401 176.094 0.115 0.000 1.047 103 V CA 2.089 64.424 62.300 0.058 0.000 1.035 103 V CB -0.662 31.150 31.823 -0.017 0.000 0.658 103 V HN 0.201 nan 8.190 nan 0.000 0.452 104 E N 0.757 121.040 120.200 0.139 0.000 2.049 104 E HA -0.210 4.140 4.350 0.000 0.000 0.198 104 E C 2.097 178.909 176.600 0.352 0.000 1.007 104 E CA 2.501 59.052 56.400 0.252 0.000 0.809 104 E CB -0.263 29.643 29.700 0.343 0.000 0.749 104 E HN 0.494 nan 8.360 nan 0.000 0.450 105 V N 1.161 121.235 119.914 0.266 0.000 2.295 105 V HA -0.274 3.846 4.120 0.000 0.000 0.246 105 V C 2.501 178.765 176.094 0.284 0.000 1.049 105 V CA 1.920 64.389 62.300 0.281 0.000 1.024 105 V CB -0.877 30.956 31.823 0.017 0.000 0.648 105 V HN 0.521 nan 8.190 nan 0.000 0.447 106 A N -0.713 122.223 122.820 0.194 0.000 1.902 106 A HA -0.238 4.082 4.320 0.000 0.000 0.217 106 A C 2.143 179.845 177.584 0.198 0.000 1.181 106 A CA 2.043 54.180 52.037 0.167 0.000 0.623 106 A CB -0.736 18.338 19.000 0.124 0.000 0.818 106 A HN 0.541 nan 8.150 nan 0.000 0.443 107 F N 1.092 121.080 119.950 0.062 0.000 2.134 107 F HA -0.150 4.377 4.527 0.000 0.000 0.299 107 F C 2.508 178.383 175.800 0.125 0.000 1.097 107 F CA 2.154 60.163 58.000 0.016 0.000 1.264 107 F CB -0.407 38.491 39.000 -0.169 0.000 1.001 107 F HN 0.208 nan 8.300 nan 0.000 0.479 108 T N 0.584 115.287 114.554 0.249 0.000 2.665 108 T HA -0.269 4.081 4.350 0.000 0.000 0.268 108 T C 2.165 176.997 174.700 0.219 0.000 1.035 108 T CA 1.623 63.904 62.100 0.301 0.000 1.151 108 T CB -0.845 68.289 68.868 0.445 0.000 0.862 108 T HN 0.405 nan 8.240 nan 0.000 0.438 109 A N 1.911 124.857 122.820 0.209 0.000 1.877 109 A HA -0.168 4.152 4.320 0.000 0.000 0.216 109 A C 2.131 179.767 177.584 0.088 0.000 1.186 109 A CA 1.886 54.014 52.037 0.150 0.000 0.620 109 A CB -0.691 18.392 19.000 0.138 0.000 0.822 109 A HN 0.389 nan 8.150 nan 0.000 0.443 110 D N -1.750 118.666 120.400 0.027 0.000 2.144 110 D HA -0.152 4.489 4.640 0.000 0.000 0.199 110 D C 1.678 177.957 176.300 -0.034 0.000 0.984 110 D CA 1.453 55.439 54.000 -0.023 0.000 0.834 110 D CB -0.475 40.283 40.800 -0.069 0.000 0.955 110 D HN 0.610 nan 8.370 nan 0.000 0.465 111 Y N 1.403 121.531 120.300 -0.288 0.000 2.128 111 Y HA -0.190 4.360 4.550 0.000 0.000 0.284 111 Y C 2.283 178.243 175.900 0.100 0.000 1.154 111 Y CA 1.335 59.333 58.100 -0.169 0.000 1.149 111 Y CB -0.289 38.048 38.460 -0.204 0.000 0.976 111 Y HN -0.105 nan 8.280 nan 0.000 0.505 112 I N -0.119 120.601 120.570 0.249 0.000 2.179 112 I HA -0.339 3.831 4.170 0.000 0.000 0.242 112 I C 2.005 178.170 176.117 0.080 0.000 1.088 112 I CA 1.668 63.076 61.300 0.180 0.000 1.357 112 I CB -0.483 37.623 38.000 0.177 0.000 1.051 112 I HN 0.212 nan 8.210 nan 0.000 0.409 113 D N 0.041 120.479 120.400 0.064 0.000 2.123 113 D HA -0.248 4.392 4.640 0.000 0.000 0.196 113 D C 1.916 178.209 176.300 -0.013 0.000 0.992 113 D CA 1.418 55.433 54.000 0.025 0.000 0.833 113 D CB -0.373 40.442 40.800 0.025 0.000 0.954 113 D HN 0.409 nan 8.370 nan 0.000 0.455 114 Y N 0.832 121.055 120.300 -0.128 0.000 2.181 114 Y HA -0.191 4.359 4.550 0.000 0.000 0.288 114 Y C 2.144 177.921 175.900 -0.205 0.000 1.146 114 Y CA 1.418 59.400 58.100 -0.197 0.000 1.164 114 Y CB -0.221 38.100 38.460 -0.231 0.000 0.982 114 Y HN -0.172 nan 8.280 nan 0.000 0.515 115 M N 0.313 119.735 119.600 -0.296 0.000 2.159 115 M HA -0.137 4.343 4.480 0.000 0.000 0.263 115 M C 2.443 178.702 176.300 -0.070 0.000 1.063 115 M CA 1.569 56.767 55.300 -0.170 0.000 1.110 115 M CB -1.658 30.933 32.600 -0.016 0.000 1.374 115 M HN 0.510 nan 8.290 nan 0.000 0.411 116 A N 0.155 122.937 122.820 -0.064 0.000 2.019 116 A HA -0.166 4.155 4.320 0.000 0.000 0.219 116 A C 1.863 179.404 177.584 -0.071 0.000 1.164 116 A CA 1.443 53.473 52.037 -0.012 0.000 0.644 116 A CB -0.732 18.272 19.000 0.007 0.000 0.805 116 A HN 0.622 nan 8.150 nan 0.000 0.449 117 E N -1.642 118.418 120.200 -0.232 0.000 2.516 117 E HA -0.165 4.186 4.350 0.000 0.000 0.199 117 E C 1.055 177.472 176.600 -0.305 0.000 1.069 117 E CA 0.441 56.663 56.400 -0.297 0.000 0.876 117 E CB -0.197 29.250 29.700 -0.422 0.000 0.843 117 E HN 0.916 nan 8.360 nan 0.000 0.530 118 W N 0.741 121.945 121.300 -0.161 0.000 2.905 118 W HA 0.120 4.781 4.660 0.000 0.000 0.251 118 W C 2.360 178.922 176.519 0.072 0.000 1.305 118 W CA 0.218 57.523 57.345 -0.066 0.000 1.465 118 W CB 0.144 29.550 29.460 -0.091 0.000 1.122 118 W HN 0.094 nan 8.180 nan 0.000 0.659 119 A N 1.480 124.441 122.820 0.235 0.000 1.894 119 A HA -0.296 4.024 4.320 0.000 0.000 0.220 119 A C 1.806 179.409 177.584 0.033 0.000 1.237 119 A CA 2.065 54.203 52.037 0.169 0.000 0.660 119 A CB -0.755 18.280 19.000 0.058 0.000 0.835 119 A HN 0.373 nan 8.150 nan 0.000 0.461 120 R N -1.265 119.230 120.500 -0.009 0.000 2.391 120 R HA 0.247 4.587 4.340 0.000 0.000 0.249 120 R C 1.485 177.755 176.300 -0.050 0.000 0.957 120 R CA 0.169 56.225 56.100 -0.074 0.000 1.093 120 R CB 0.157 30.422 30.300 -0.058 0.000 1.156 120 R HN 0.508 nan 8.270 nan 0.000 0.526 121 R N -0.374 120.158 120.500 0.053 0.000 2.342 121 R HA 0.078 4.418 4.340 0.000 0.000 0.204 121 R C -0.226 176.215 176.300 0.236 0.000 0.882 121 R CA -0.116 56.089 56.100 0.174 0.000 1.041 121 R CB 0.307 30.789 30.300 0.304 0.000 1.188 121 R HN 0.152 nan 8.270 nan 0.000 0.598 122 Y N 2.406 122.795 120.300 0.148 0.000 2.569 122 Y HA 0.256 4.806 4.550 0.000 0.000 0.332 122 Y C -0.441 175.484 175.900 0.043 0.000 1.120 122 Y CA -0.835 57.277 58.100 0.020 0.000 1.416 122 Y CB 0.134 38.460 38.460 -0.223 0.000 1.210 122 Y HN -0.141 nan 8.280 nan 0.000 0.528 123 E N 2.991 123.282 120.200 0.152 0.000 2.202 123 E HA 0.570 4.920 4.350 0.000 0.000 0.272 123 E C 0.058 176.698 176.600 0.067 0.000 0.951 123 E CA -0.933 55.495 56.400 0.046 0.000 0.813 123 E CB 1.731 31.445 29.700 0.023 0.000 1.151 123 E HN 0.918 nan 8.360 nan 0.000 0.398 124 G N 1.248 110.038 108.800 -0.016 0.000 2.532 124 G HA2 0.441 4.401 3.960 0.000 0.000 0.291 124 G HA3 0.441 4.401 3.960 0.000 0.000 0.291 124 G C -0.668 174.161 174.900 -0.118 0.000 1.349 124 G CA -0.388 44.672 45.100 -0.067 0.000 1.038 124 G HN 0.486 nan 8.290 nan 0.000 0.518 125 E N -1.426 118.667 120.200 -0.179 0.000 2.340 125 E HA 0.422 4.773 4.350 0.000 0.000 0.273 125 E C -1.484 174.992 176.600 -0.206 0.000 0.891 125 E CA -0.646 55.660 56.400 -0.156 0.000 0.757 125 E CB 2.632 32.267 29.700 -0.109 0.000 1.231 125 E HN 0.173 nan 8.360 nan 0.000 0.439 126 I N 2.690 123.163 120.570 -0.163 0.000 2.328 126 I HA 0.280 4.450 4.170 0.000 0.000 0.287 126 I C -0.637 175.409 176.117 -0.119 0.000 1.012 126 I CA -0.060 61.145 61.300 -0.158 0.000 1.195 126 I CB 0.681 38.605 38.000 -0.126 0.000 1.350 126 I HN 0.383 nan 8.210 nan 0.000 0.464 127 I N 5.473 125.965 120.570 -0.129 0.000 2.385 127 I HA 0.259 4.429 4.170 0.000 0.000 0.294 127 I C 0.274 176.344 176.117 -0.077 0.000 0.988 127 I CA -0.978 60.263 61.300 -0.099 0.000 1.265 127 I CB 0.840 38.773 38.000 -0.113 0.000 1.388 127 I HN 0.397 nan 8.210 nan 0.000 0.480 128 Q N 3.648 123.418 119.800 -0.050 0.000 2.361 128 Q HA 0.135 4.475 4.340 0.000 0.000 0.276 128 Q C -0.151 175.839 176.000 -0.017 0.000 1.022 128 Q CA 0.261 56.046 55.803 -0.030 0.000 0.898 128 Q CB 1.354 30.080 28.738 -0.020 0.000 1.246 128 Q HN 0.684 nan 8.270 nan 0.000 0.410 129 S N 0.944 116.643 115.700 -0.002 0.000 2.621 129 S HA 0.264 4.735 4.470 0.000 0.000 0.302 129 S C -0.026 174.590 174.600 0.028 0.000 1.093 129 S CA -0.705 57.511 58.200 0.027 0.000 1.017 129 S CB 0.873 64.101 63.200 0.046 0.000 1.077 129 S HN 0.392 nan 8.310 nan 0.000 0.517 130 D N 1.433 121.856 120.400 0.039 0.000 2.347 130 D HA 0.122 4.763 4.640 0.000 0.000 0.213 130 D C 0.225 176.541 176.300 0.027 0.000 0.985 130 D CA 0.574 54.590 54.000 0.028 0.000 0.879 130 D CB 0.108 40.924 40.800 0.027 0.000 0.919 130 D HN 0.394 nan 8.370 nan 0.000 0.526 131 R N 1.321 121.844 120.500 0.038 0.000 2.254 131 R HA 0.352 4.693 4.340 0.000 0.000 0.318 131 R C -2.437 173.880 176.300 0.028 0.000 1.031 131 R CA -1.618 54.502 56.100 0.034 0.000 0.905 131 R CB 0.747 31.075 30.300 0.047 0.000 1.050 131 R HN -0.088 nan 8.270 nan 0.000 0.456 132 P HA 0.027 nan 4.420 nan 0.000 0.271 132 P C 0.563 177.874 177.300 0.018 0.000 1.216 132 P CA 0.461 63.570 63.100 0.016 0.000 0.776 132 P CB 0.793 32.500 31.700 0.011 0.000 0.881 133 G N 0.997 109.806 108.800 0.016 0.000 2.168 133 G HA2 -0.284 3.676 3.960 0.000 0.000 0.263 133 G HA3 -0.284 3.676 3.960 0.000 0.000 0.263 133 G C 0.126 175.041 174.900 0.024 0.000 0.977 133 G CA 0.149 45.260 45.100 0.017 0.000 0.659 133 G HN 0.644 nan 8.290 nan 0.000 0.533 134 E N -0.028 120.190 120.200 0.030 0.000 2.204 134 E HA 0.538 4.888 4.350 0.000 0.000 0.276 134 E C -0.266 176.349 176.600 0.025 0.000 0.974 134 E CA -0.834 55.592 56.400 0.044 0.000 0.815 134 E CB 0.609 30.353 29.700 0.075 0.000 1.119 134 E HN 0.375 nan 8.360 nan 0.000 0.393 135 N N 3.614 122.325 118.700 0.019 0.000 2.354 135 N HA 0.353 5.093 4.740 0.000 0.000 0.287 135 N C -1.039 174.434 175.510 -0.061 0.000 1.016 135 N CA -0.504 52.535 53.050 -0.019 0.000 0.871 135 N CB 1.444 39.922 38.487 -0.014 0.000 1.299 135 N HN 0.356 nan 8.380 nan 0.000 0.482 136 I N 3.969 124.465 120.570 -0.124 0.000 2.330 136 I HA 0.255 4.425 4.170 0.000 0.000 0.286 136 I C -0.710 175.262 176.117 -0.241 0.000 1.025 136 I CA -0.462 60.683 61.300 -0.259 0.000 1.197 136 I CB 0.634 38.446 38.000 -0.313 0.000 1.358 136 I HN 0.310 nan 8.210 nan 0.000 0.467 137 L N 7.455 128.535 121.223 -0.240 0.000 2.280 137 L HA 0.509 4.849 4.340 0.000 0.000 0.287 137 L C -0.443 176.216 176.870 -0.352 0.000 1.023 137 L CA -0.464 54.176 54.840 -0.332 0.000 0.819 137 L CB 1.659 43.529 42.059 -0.316 0.000 1.212 137 L HN 0.521 nan 8.230 nan 0.000 0.420 138 L N 4.035 125.032 121.223 -0.375 0.000 2.277 138 L HA 0.522 4.863 4.340 0.000 0.000 0.284 138 L C -0.911 175.799 176.870 -0.267 0.000 1.028 138 L CA -0.218 54.490 54.840 -0.219 0.000 0.835 138 L CB 0.468 42.441 42.059 -0.143 0.000 1.215 138 L HN 0.326 nan 8.230 nan 0.000 0.425 139 F N 3.867 123.812 119.950 -0.008 0.000 2.378 139 F HA 0.474 5.001 4.527 0.000 0.000 0.325 139 F C 0.363 176.191 175.800 0.047 0.000 1.097 139 F CA -0.549 57.461 58.000 0.017 0.000 1.079 139 F CB 0.981 39.989 39.000 0.014 0.000 1.240 139 F HN 0.251 nan 8.300 nan 0.000 0.519 140 K N 3.115 123.689 120.400 0.291 0.000 2.265 140 K HA 0.469 4.789 4.320 0.000 0.000 0.267 140 K C -0.403 176.333 176.600 0.227 0.000 0.994 140 K CA -0.656 55.770 56.287 0.231 0.000 0.860 140 K CB 1.602 34.272 32.500 0.285 0.000 1.099 140 K HN 0.501 nan 8.250 nan 0.000 0.448 141 R N 0.468 121.051 120.500 0.138 0.000 2.892 141 R HA 0.575 4.915 4.340 0.000 0.000 0.265 141 R C -0.260 176.072 176.300 0.053 0.000 1.025 141 R CA -1.062 55.097 56.100 0.099 0.000 0.982 141 R CB 1.181 31.524 30.300 0.072 0.000 1.185 141 R HN 0.668 nan 8.270 nan 0.000 0.484 142 A N 1.063 123.914 122.820 0.051 0.000 2.346 142 A HA 0.318 4.638 4.320 0.000 0.000 0.252 142 A C 1.404 179.021 177.584 0.055 0.000 1.089 142 A CA -0.286 51.782 52.037 0.051 0.000 0.797 142 A CB 0.188 19.237 19.000 0.082 0.000 1.047 142 A HN 0.685 nan 8.150 nan 0.000 0.494 143 L N 0.656 121.917 121.223 0.064 0.000 2.162 143 L HA 0.263 4.603 4.340 0.000 0.000 0.205 143 L C 1.711 178.612 176.870 0.051 0.000 1.086 143 L CA 1.109 55.977 54.840 0.046 0.000 0.778 143 L CB -0.789 41.292 42.059 0.036 0.000 0.928 143 L HN 1.092 nan 8.230 nan 0.000 0.446 144 G N -0.626 108.218 108.800 0.074 0.000 1.954 144 G HA2 -0.162 3.798 3.960 0.000 0.000 0.169 144 G HA3 -0.162 3.798 3.960 0.000 0.000 0.169 144 G C -0.713 174.226 174.900 0.066 0.000 1.013 144 G CA -0.305 44.834 45.100 0.066 0.000 1.258 144 G HN -0.144 nan 8.290 nan 0.000 0.442 145 V N 2.655 122.593 119.914 0.039 0.000 2.407 145 V HA 0.652 4.772 4.120 0.000 0.000 0.278 145 V C 0.692 176.806 176.094 0.033 0.000 1.037 145 V CA 0.513 62.826 62.300 0.022 0.000 0.900 145 V CB 0.788 32.609 31.823 -0.004 0.000 0.983 145 V HN 1.304 nan 8.190 nan 0.000 0.459 146 T N 0.984 115.567 114.554 0.049 0.000 2.908 146 T HA 0.794 5.144 4.350 0.000 0.000 0.290 146 T C -0.297 174.423 174.700 0.033 0.000 1.034 146 T CA -0.570 61.577 62.100 0.078 0.000 1.010 146 T CB 2.033 71.040 68.868 0.231 0.000 1.068 146 T HN 0.736 nan 8.240 nan 0.000 0.481 147 T N -1.302 113.266 114.554 0.024 0.000 2.908 147 T HA 0.813 5.163 4.350 0.000 0.000 0.290 147 T C 0.011 174.712 174.700 0.002 0.000 1.034 147 T CA -0.936 61.154 62.100 -0.016 0.000 1.010 147 T CB 1.647 70.493 68.868 -0.035 0.000 1.068 147 T HN 1.182 nan 8.240 nan 0.000 0.481 148 G N 1.615 110.396 108.800 -0.032 0.000 2.723 148 G HA2 0.581 4.541 3.960 0.000 0.000 0.295 148 G HA3 0.581 4.541 3.960 0.000 0.000 0.295 148 G C -0.996 173.875 174.900 -0.047 0.000 1.464 148 G CA -0.727 44.359 45.100 -0.024 0.000 1.012 148 G HN 0.716 nan 8.290 nan 0.000 0.522 149 I N 3.668 124.218 120.570 -0.034 0.000 2.330 149 I HA 0.306 4.476 4.170 0.000 0.000 0.286 149 I C 0.233 176.331 176.117 -0.031 0.000 1.025 149 I CA -0.447 60.832 61.300 -0.036 0.000 1.197 149 I CB 0.908 38.891 38.000 -0.029 0.000 1.358 149 I HN 0.247 nan 8.210 nan 0.000 0.467 150 L N 8.245 129.450 121.223 -0.031 0.000 2.399 150 L HA 0.544 4.884 4.340 0.000 0.000 0.265 150 L C -2.010 174.860 176.870 -0.001 0.000 1.089 150 L CA -1.560 53.265 54.840 -0.024 0.000 0.802 150 L CB 0.993 43.036 42.059 -0.027 0.000 1.180 150 L HN 0.337 nan 8.230 nan 0.000 0.454 151 P HA 0.117 nan 4.420 nan 0.000 0.287 151 P C -0.361 176.936 177.300 -0.004 0.000 1.296 151 P CA -0.508 62.529 63.100 -0.105 0.000 0.811 151 P CB 0.978 32.560 31.700 -0.197 0.000 1.211 152 W N 0.814 122.217 121.300 0.171 0.000 2.996 152 W HA 0.022 4.682 4.660 -0.000 0.000 0.270 152 W C 1.092 177.674 176.519 0.105 0.000 1.280 152 W CA 0.334 57.777 57.345 0.164 0.000 1.549 152 W CB -1.706 27.894 29.460 0.234 0.000 1.079 152 W HN 0.233 nan 8.180 nan 0.000 0.629 153 N N 2.055 120.630 118.700 -0.208 0.000 2.120 153 N HA -0.203 4.537 4.740 0.000 0.000 0.188 153 N C 0.106 175.408 175.510 -0.347 0.000 1.024 153 N CA 1.060 54.002 53.050 -0.181 0.000 0.852 153 N CB -1.194 37.106 38.487 -0.312 0.000 1.003 153 N HN 0.128 nan 8.380 nan 0.000 0.424 154 F N 0.472 120.461 119.950 0.064 0.000 2.566 154 F HA 0.395 4.922 4.527 0.000 0.000 0.347 154 F C -1.671 174.223 175.800 0.157 0.000 1.515 154 F CA -1.877 56.210 58.000 0.144 0.000 1.103 154 F CB 1.677 40.783 39.000 0.177 0.000 1.385 154 F HN -0.095 nan 8.300 nan 0.000 0.560 155 P HA -0.259 nan 4.420 nan 0.000 0.216 155 P C 1.808 179.251 177.300 0.238 0.000 1.153 155 P CA 1.657 64.887 63.100 0.216 0.000 0.858 155 P CB 0.228 32.068 31.700 0.234 0.000 0.789 156 F N -0.005 120.050 119.950 0.176 0.000 2.098 156 F HA -0.095 4.432 4.527 0.000 0.000 0.294 156 F C 2.389 178.317 175.800 0.215 0.000 1.107 156 F CA 0.985 59.096 58.000 0.185 0.000 1.234 156 F CB -1.218 37.913 39.000 0.220 0.000 1.002 156 F HN -0.242 nan 8.300 nan 0.000 0.472 157 F N 0.710 120.784 119.950 0.208 0.000 2.126 157 F HA -0.211 4.316 4.527 0.000 0.000 0.299 157 F C 1.803 177.548 175.800 -0.090 0.000 1.096 157 F CA 1.571 59.607 58.000 0.060 0.000 1.255 157 F CB -1.076 38.008 39.000 0.140 0.000 0.997 157 F HN -0.025 nan 8.300 nan 0.000 0.479 158 L N 0.120 121.161 121.223 -0.305 0.000 2.353 158 L HA -0.166 4.174 4.340 0.000 0.000 0.220 158 L C 2.292 178.950 176.870 -0.353 0.000 1.133 158 L CA 1.001 55.565 54.840 -0.459 0.000 0.798 158 L CB -0.625 41.311 42.059 -0.206 0.000 0.922 158 L HN 0.216 nan 8.230 nan 0.000 0.445 159 I N -1.137 119.226 120.570 -0.344 0.000 2.163 159 I HA -0.297 3.873 4.170 0.000 0.000 0.240 159 I C 2.581 178.450 176.117 -0.413 0.000 1.081 159 I CA 1.241 62.275 61.300 -0.443 0.000 1.353 159 I CB -0.534 36.987 38.000 -0.798 0.000 1.054 159 I HN 0.236 nan 8.210 nan 0.000 0.407 160 A N 0.659 123.259 122.820 -0.367 0.000 1.930 160 A HA -0.219 4.101 4.320 0.000 0.000 0.217 160 A C 2.415 179.961 177.584 -0.063 0.000 1.175 160 A CA 1.490 53.463 52.037 -0.107 0.000 0.627 160 A CB -0.646 18.406 19.000 0.086 0.000 0.815 160 A HN 0.333 nan 8.150 nan 0.000 0.443 161 R N -0.156 120.083 120.500 -0.435 0.000 2.139 161 R HA -0.169 4.172 4.340 0.000 0.000 0.243 161 R C 1.810 178.092 176.300 -0.028 0.000 1.145 161 R CA 1.994 57.843 56.100 -0.417 0.000 0.976 161 R CB -0.119 29.611 30.300 -0.951 0.000 0.866 161 R HN 0.563 nan 8.270 nan 0.000 0.449 162 K N -0.624 119.724 120.400 -0.086 0.000 2.190 162 K HA -0.006 4.314 4.320 0.000 0.000 0.202 162 K C 2.044 178.554 176.600 -0.149 0.000 1.045 162 K CA 0.976 57.260 56.287 -0.006 0.000 0.976 162 K CB -0.040 32.473 32.500 0.021 0.000 0.849 162 K HN 0.139 nan 8.250 nan 0.000 0.468 163 M N 0.861 120.401 119.600 -0.100 0.000 2.132 163 M HA 0.124 4.604 4.480 0.000 0.000 0.263 163 M C 2.153 178.424 176.300 -0.049 0.000 1.065 163 M CA 1.766 57.026 55.300 -0.066 0.000 1.122 163 M CB -0.647 31.994 32.600 0.068 0.000 1.365 163 M HN -0.003 nan 8.290 nan 0.000 0.411 164 A N 1.932 124.772 122.820 0.033 0.000 1.841 164 A HA -0.068 4.252 4.320 0.000 0.000 0.216 164 A C 0.272 177.856 177.584 0.000 0.000 1.199 164 A CA 2.050 54.140 52.037 0.089 0.000 0.621 164 A CB -2.368 16.750 19.000 0.197 0.000 0.835 164 A HN 0.577 nan 8.150 nan 0.000 0.445 165 P HA -0.151 nan 4.420 nan 0.000 0.216 165 P C 1.595 178.676 177.300 -0.366 0.000 1.150 165 P CA 2.041 65.056 63.100 -0.142 0.000 0.837 165 P CB -0.182 31.501 31.700 -0.028 0.000 0.786 166 A N 0.825 123.189 122.820 -0.761 0.000 1.845 166 A HA -0.145 4.175 4.320 0.000 0.000 0.215 166 A C 2.529 180.030 177.584 -0.138 0.000 1.195 166 A CA 1.666 53.233 52.037 -0.783 0.000 0.616 166 A CB -1.588 16.916 19.000 -0.827 0.000 0.832 166 A HN 0.112 nan 8.150 nan 0.000 0.443 167 L N -1.123 120.104 121.223 0.008 0.000 2.083 167 L HA -0.150 4.190 4.340 0.000 0.000 0.209 167 L C 2.615 179.720 176.870 0.391 0.000 1.083 167 L CA 1.245 56.288 54.840 0.338 0.000 0.752 167 L CB -0.742 41.509 42.059 0.319 0.000 0.899 167 L HN 0.453 nan 8.230 nan 0.000 0.433 168 L N 0.507 121.833 121.223 0.172 0.000 2.042 168 L HA -0.197 4.143 4.340 0.000 0.000 0.210 168 L C 2.572 179.461 176.870 0.031 0.000 1.076 168 L CA 2.329 57.237 54.840 0.114 0.000 0.749 168 L CB -0.606 41.500 42.059 0.079 0.000 0.893 168 L HN 0.390 nan 8.230 nan 0.000 0.432 169 T N -3.463 111.046 114.554 -0.075 0.000 3.160 169 T HA 0.305 4.655 4.350 0.000 0.000 0.257 169 T C 1.344 176.027 174.700 -0.029 0.000 1.147 169 T CA 0.343 62.313 62.100 -0.217 0.000 1.064 169 T CB -0.301 68.365 68.868 -0.336 0.000 0.949 169 T HN 0.663 nan 8.240 nan 0.000 0.526 170 G N 1.169 110.017 108.800 0.081 0.000 2.144 170 G HA2 -0.204 3.756 3.960 0.000 0.000 0.218 170 G HA3 -0.204 3.756 3.960 0.000 0.000 0.218 170 G C -0.131 174.976 174.900 0.346 0.000 0.988 170 G CA -0.367 44.804 45.100 0.118 0.000 0.659 170 G HN 0.577 nan 8.290 nan 0.000 0.522 171 N N 0.564 119.450 118.700 0.311 0.000 2.458 171 N HA 0.629 5.369 4.740 0.000 0.000 0.271 171 N C 0.396 176.010 175.510 0.174 0.000 1.210 171 N CA 0.635 53.821 53.050 0.227 0.000 0.978 171 N CB 1.277 39.870 38.487 0.176 0.000 1.206 171 N HN 0.476 nan 8.380 nan 0.000 0.536 172 T N -2.094 112.484 114.554 0.039 0.000 2.942 172 T HA 0.750 5.100 4.350 0.000 0.000 0.289 172 T C -0.027 174.628 174.700 -0.076 0.000 1.044 172 T CA -0.758 61.268 62.100 -0.124 0.000 1.023 172 T CB 1.644 70.426 68.868 -0.142 0.000 1.123 172 T HN 0.458 nan 8.240 nan 0.000 0.512 173 I N 0.581 121.076 120.570 -0.125 0.000 2.894 173 I HA 0.648 4.818 4.170 0.000 0.000 0.302 173 I C -1.765 174.220 176.117 -0.219 0.000 1.188 173 I CA -1.330 59.900 61.300 -0.116 0.000 1.014 173 I CB 2.221 40.175 38.000 -0.077 0.000 1.242 173 I HN 0.562 nan 8.210 nan 0.000 0.430 174 V N 7.319 127.116 119.914 -0.195 0.000 2.409 174 V HA 0.465 4.585 4.120 0.000 0.000 0.290 174 V C -0.323 175.634 176.094 -0.229 0.000 1.017 174 V CA -0.558 61.595 62.300 -0.246 0.000 0.841 174 V CB 1.430 33.156 31.823 -0.162 0.000 1.003 174 V HN 0.375 nan 8.190 nan 0.000 0.426 175 I N 4.448 124.820 120.570 -0.330 0.000 2.412 175 I HA 0.506 4.676 4.170 0.000 0.000 0.296 175 I C 0.023 176.036 176.117 -0.173 0.000 0.987 175 I CA -0.524 60.634 61.300 -0.238 0.000 1.180 175 I CB 1.878 39.714 38.000 -0.273 0.000 1.340 175 I HN 0.581 nan 8.210 nan 0.000 0.455 176 K N 8.175 128.507 120.400 -0.112 0.000 2.450 176 K HA 0.496 4.817 4.320 0.000 0.000 0.257 176 K C -2.678 173.889 176.600 -0.056 0.000 0.953 176 K CA -1.499 54.737 56.287 -0.084 0.000 0.844 176 K CB 2.234 34.687 32.500 -0.078 0.000 1.103 176 K HN 0.262 nan 8.250 nan 0.000 0.429 177 P HA 0.039 nan 4.420 nan 0.000 0.279 177 P C -0.592 176.714 177.300 0.009 0.000 1.276 177 P CA -0.540 62.562 63.100 0.004 0.000 0.801 177 P CB 1.061 32.782 31.700 0.034 0.000 1.127 178 S N -0.561 115.178 115.700 0.066 0.000 2.549 178 S HA 0.019 4.489 4.470 0.000 0.000 0.279 178 S C 1.462 176.055 174.600 -0.012 0.000 1.321 178 S CA -0.343 57.899 58.200 0.069 0.000 1.054 178 S CB -0.231 63.145 63.200 0.293 0.000 0.899 178 S HN 0.500 nan 8.310 nan 0.000 0.497 179 E N 4.070 124.151 120.200 -0.199 0.000 2.331 179 E HA -0.189 4.161 4.350 0.000 0.000 0.199 179 E C 0.918 177.417 176.600 -0.169 0.000 1.008 179 E CA 1.341 57.601 56.400 -0.234 0.000 0.843 179 E CB -0.393 29.085 29.700 -0.371 0.000 0.761 179 E HN 0.863 nan 8.360 nan 0.000 0.507 180 F N 1.834 121.825 119.950 0.068 0.000 2.416 180 F HA 0.030 4.557 4.527 -0.000 0.000 0.296 180 F C 1.227 177.070 175.800 0.072 0.000 1.099 180 F CA 0.801 58.814 58.000 0.023 0.000 1.427 180 F CB 0.543 39.488 39.000 -0.090 0.000 1.079 180 F HN 0.023 nan 8.300 nan 0.000 0.536 181 T N -2.672 112.050 114.554 0.279 0.000 3.542 181 T HA 0.244 4.594 4.350 0.000 0.000 0.276 181 T C -2.223 172.579 174.700 0.170 0.000 1.412 181 T CA -1.453 60.784 62.100 0.229 0.000 1.664 181 T CB 0.997 70.035 68.868 0.283 0.000 0.863 181 T HN -0.109 nan 8.240 nan 0.000 0.661 182 P HA 0.111 nan 4.420 nan 0.000 0.238 182 P C 1.035 178.359 177.300 0.040 0.000 1.183 182 P CA 0.230 63.380 63.100 0.083 0.000 0.813 182 P CB 0.369 32.108 31.700 0.065 0.000 0.944 183 N N 2.070 120.800 118.700 0.049 0.000 2.094 183 N HA -0.198 4.542 4.740 0.000 0.000 0.191 183 N C 1.518 177.051 175.510 0.038 0.000 1.023 183 N CA 2.038 55.081 53.050 -0.012 0.000 0.857 183 N CB -1.327 37.223 38.487 0.106 0.000 1.013 183 N HN 0.453 nan 8.380 nan 0.000 0.426 184 N N 0.459 119.237 118.700 0.130 0.000 2.244 184 N HA -0.021 4.719 4.740 0.000 0.000 0.183 184 N C 1.585 177.328 175.510 0.389 0.000 1.016 184 N CA 1.285 54.473 53.050 0.229 0.000 0.866 184 N CB -0.285 38.374 38.487 0.287 0.000 0.980 184 N HN 0.185 nan 8.380 nan 0.000 0.430 185 A N 1.083 124.064 122.820 0.269 0.000 1.897 185 A HA 0.025 4.345 4.320 0.000 0.000 0.215 185 A C 2.167 179.910 177.584 0.265 0.000 1.181 185 A CA 0.856 53.043 52.037 0.249 0.000 0.620 185 A CB -0.510 18.573 19.000 0.139 0.000 0.821 185 A HN 0.268 nan 8.150 nan 0.000 0.443 186 I N 0.217 120.859 120.570 0.119 0.000 2.208 186 I HA -0.266 3.904 4.170 0.000 0.000 0.245 186 I C 2.899 179.121 176.117 0.174 0.000 1.097 186 I CA 1.546 62.897 61.300 0.085 0.000 1.363 186 I CB -1.520 36.287 38.000 -0.323 0.000 1.051 186 I HN 0.374 nan 8.210 nan 0.000 0.413 187 A N 0.205 123.121 122.820 0.160 0.000 1.933 187 A HA -0.248 4.072 4.320 0.000 0.000 0.218 187 A C 2.271 180.003 177.584 0.246 0.000 1.175 187 A CA 1.205 53.346 52.037 0.173 0.000 0.628 187 A CB -0.973 18.111 19.000 0.139 0.000 0.814 187 A HN 0.378 nan 8.150 nan 0.000 0.444 188 F N 0.954 121.028 119.950 0.206 0.000 2.186 188 F HA -0.016 4.511 4.527 0.000 0.000 0.299 188 F C 2.469 178.218 175.800 -0.083 0.000 1.090 188 F CA 0.978 59.036 58.000 0.097 0.000 1.307 188 F CB -0.384 38.631 39.000 0.024 0.000 1.019 188 F HN 0.243 nan 8.300 nan 0.000 0.489 189 A N 0.327 123.334 122.820 0.310 0.000 1.902 189 A HA -0.194 4.126 4.320 0.000 0.000 0.217 189 A C 2.269 179.791 177.584 -0.104 0.000 1.181 189 A CA 1.771 53.842 52.037 0.057 0.000 0.623 189 A CB -0.683 18.435 19.000 0.196 0.000 0.818 189 A HN 0.427 nan 8.150 nan 0.000 0.443 190 K N -0.431 120.115 120.400 0.244 0.000 2.063 190 K HA -0.118 4.202 4.320 0.000 0.000 0.208 190 K C 1.804 178.425 176.600 0.036 0.000 1.048 190 K CA 1.658 58.101 56.287 0.260 0.000 0.928 190 K CB -0.408 32.196 32.500 0.173 0.000 0.713 190 K HN 0.556 nan 8.250 nan 0.000 0.442 191 I N 0.513 121.040 120.570 -0.072 0.000 2.179 191 I HA -0.274 3.896 4.170 0.000 0.000 0.242 191 I C 2.241 178.233 176.117 -0.209 0.000 1.088 191 I CA 1.009 62.220 61.300 -0.149 0.000 1.357 191 I CB -0.305 37.545 38.000 -0.250 0.000 1.051 191 I HN -0.058 nan 8.210 nan 0.000 0.409 192 V N 0.950 120.648 119.914 -0.359 0.000 2.287 192 V HA -0.355 3.765 4.120 0.000 0.000 0.248 192 V C 2.204 178.180 176.094 -0.196 0.000 1.053 192 V CA 2.468 64.561 62.300 -0.345 0.000 1.027 192 V CB -0.662 30.867 31.823 -0.490 0.000 0.646 192 V HN 0.479 nan 8.190 nan 0.000 0.447 193 D N -0.208 120.042 120.400 -0.249 0.000 2.097 193 D HA -0.179 4.461 4.640 0.000 0.000 0.195 193 D C 2.190 178.523 176.300 0.054 0.000 0.989 193 D CA 1.480 55.448 54.000 -0.053 0.000 0.827 193 D CB -0.089 40.692 40.800 -0.032 0.000 0.966 193 D HN 0.550 nan 8.370 nan 0.000 0.456 194 E N -0.493 119.735 120.200 0.047 0.000 2.110 194 E HA -0.150 4.200 4.350 0.000 0.000 0.193 194 E C 2.077 178.725 176.600 0.080 0.000 0.988 194 E CA 1.095 57.538 56.400 0.071 0.000 0.804 194 E CB -0.255 29.478 29.700 0.055 0.000 0.745 194 E HN 0.580 nan 8.360 nan 0.000 0.458 195 I N -2.463 118.152 120.570 0.075 0.000 3.564 195 I HA 0.276 4.446 4.170 0.000 0.000 0.294 195 I C 1.252 177.544 176.117 0.293 0.000 1.289 195 I CA 0.658 62.051 61.300 0.156 0.000 1.325 195 I CB -0.043 38.049 38.000 0.153 0.000 1.039 195 I HN 0.037 nan 8.210 nan 0.000 0.474 196 G N 1.472 110.382 108.800 0.183 0.000 2.176 196 G HA2 -0.240 3.720 3.960 0.000 0.000 0.252 196 G HA3 -0.240 3.720 3.960 0.000 0.000 0.252 196 G C 0.148 175.005 174.900 -0.070 0.000 1.024 196 G CA 0.234 45.432 45.100 0.163 0.000 0.755 196 G HN 0.499 nan 8.290 nan 0.000 0.507 197 L N 0.616 121.691 121.223 -0.246 0.000 2.578 197 L HA 0.215 4.555 4.340 0.000 0.000 0.279 197 L C -1.273 175.239 176.870 -0.598 0.000 1.227 197 L CA -0.365 54.014 54.840 -0.768 0.000 0.900 197 L CB 0.074 41.887 42.059 -0.411 0.000 1.144 197 L HN 0.001 nan 8.230 nan 0.000 0.496 198 P HA -0.033 nan 4.420 nan 0.000 0.261 198 P C -0.866 176.268 177.300 -0.277 0.000 1.173 198 P CA 0.150 63.030 63.100 -0.367 0.000 0.760 198 P CB 0.212 31.755 31.700 -0.262 0.000 0.783 199 R N 2.958 123.360 120.500 -0.163 0.000 2.583 199 R HA 0.202 4.542 4.340 0.000 0.000 0.274 199 R C 1.071 177.271 176.300 -0.166 0.000 0.998 199 R CA 0.331 56.343 56.100 -0.146 0.000 1.081 199 R CB -0.918 29.312 30.300 -0.116 0.000 0.940 199 R HN 0.748 nan 8.270 nan 0.000 0.413 200 G N 1.232 109.927 108.800 -0.174 0.000 2.234 200 G HA2 -0.329 3.632 3.960 0.000 0.000 0.260 200 G HA3 -0.329 3.632 3.960 0.000 0.000 0.260 200 G C 0.644 175.414 174.900 -0.216 0.000 0.987 200 G CA 0.245 45.241 45.100 -0.174 0.000 0.625 200 G HN 0.460 nan 8.290 nan 0.000 0.532 201 V N -0.638 119.091 119.914 -0.309 0.000 2.453 201 V HA 0.344 4.464 4.120 0.000 0.000 0.247 201 V C 1.045 176.975 176.094 -0.273 0.000 1.048 201 V CA 1.968 63.966 62.300 -0.504 0.000 1.049 201 V CB -0.188 31.017 31.823 -1.029 0.000 0.672 201 V HN 0.495 nan 8.190 nan 0.000 0.457 202 F N 1.468 121.260 119.950 -0.264 0.000 2.518 202 F HA 0.569 5.097 4.527 0.001 0.000 0.323 202 F C -0.475 175.327 175.800 0.004 0.000 1.129 202 F CA -0.898 57.029 58.000 -0.121 0.000 0.920 202 F CB 1.132 40.093 39.000 -0.065 0.000 1.160 202 F HN -0.006 nan 8.300 nan 0.000 0.440 203 N N 6.135 124.400 118.700 -0.726 0.000 2.260 203 N HA 0.457 5.197 4.740 0.000 0.000 0.293 203 N C -2.150 172.996 175.510 -0.607 0.000 1.058 203 N CA -0.598 52.185 53.050 -0.445 0.000 0.824 203 N CB 2.884 41.203 38.487 -0.280 0.000 1.551 203 N HN 0.570 nan 8.380 nan 0.000 0.475 204 L N 2.332 123.398 121.223 -0.262 0.000 2.343 204 L HA 0.474 4.814 4.340 0.000 0.000 0.278 204 L C -0.704 176.133 176.870 -0.055 0.000 0.996 204 L CA -0.801 53.941 54.840 -0.163 0.000 0.831 204 L CB 1.288 43.376 42.059 0.047 0.000 1.232 204 L HN 0.380 nan 8.230 nan 0.000 0.413 205 V N 3.009 122.867 119.914 -0.094 0.000 2.732 205 V HA 0.700 4.820 4.120 0.000 0.000 0.310 205 V C -0.420 175.622 176.094 -0.085 0.000 1.053 205 V CA -0.845 61.408 62.300 -0.078 0.000 0.957 205 V CB 1.767 33.533 31.823 -0.094 0.000 1.018 205 V HN 0.611 nan 8.190 nan 0.000 0.452 206 L N 3.318 124.467 121.223 -0.123 0.000 2.362 206 L HA 1.024 5.364 4.340 0.000 0.000 0.271 206 L C 0.519 177.251 176.870 -0.231 0.000 1.002 206 L CA 0.108 54.858 54.840 -0.150 0.000 0.818 206 L CB 1.807 43.788 42.059 -0.130 0.000 1.298 206 L HN 1.232 nan 8.230 nan 0.000 0.420 207 G N 1.626 110.311 108.800 -0.190 0.000 2.345 207 G HA2 0.161 4.121 3.960 0.000 0.000 0.285 207 G HA3 0.161 4.121 3.960 0.000 0.000 0.285 207 G C -1.627 173.178 174.900 -0.158 0.000 1.297 207 G CA -0.993 43.985 45.100 -0.203 0.000 0.875 207 G HN 0.428 nan 8.290 nan 0.000 0.506 208 R N -0.672 119.745 120.500 -0.138 0.000 2.546 208 R HA 0.518 4.858 4.340 0.000 0.000 0.266 208 R C 1.709 177.953 176.300 -0.093 0.000 1.086 208 R CA 0.152 56.179 56.100 -0.122 0.000 1.160 208 R CB 0.942 31.185 30.300 -0.095 0.000 1.138 208 R HN 0.681 nan 8.270 nan 0.000 0.567 209 G N 0.702 109.454 108.800 -0.080 0.000 2.403 209 G HA2 -0.221 3.739 3.960 0.000 0.000 0.216 209 G HA3 -0.221 3.739 3.960 0.000 0.000 0.216 209 G C 1.013 175.889 174.900 -0.041 0.000 1.154 209 G CA 0.275 45.343 45.100 -0.054 0.000 0.784 209 G HN 0.737 nan 8.290 nan 0.000 0.538 210 E N 1.271 121.450 120.200 -0.036 0.000 2.338 210 E HA -0.110 4.240 4.350 0.000 0.000 0.197 210 E C 1.976 178.559 176.600 -0.028 0.000 1.007 210 E CA 1.672 58.057 56.400 -0.026 0.000 0.849 210 E CB -0.606 29.082 29.700 -0.019 0.000 0.774 210 E HN 0.540 nan 8.360 nan 0.000 0.506 211 T N -1.102 113.430 114.554 -0.038 0.000 3.395 211 T HA 0.097 4.447 4.350 0.000 0.000 0.230 211 T C 2.203 176.877 174.700 -0.042 0.000 0.958 211 T CA 0.574 62.653 62.100 -0.036 0.000 1.377 211 T CB -0.733 68.111 68.868 -0.040 0.000 1.124 211 T HN -0.025 nan 8.240 nan 0.000 0.425 212 V N 2.322 122.200 119.914 -0.060 0.000 2.295 212 V HA 0.024 4.144 4.120 0.000 0.000 0.246 212 V C 3.093 179.152 176.094 -0.058 0.000 1.049 212 V CA 2.156 64.416 62.300 -0.066 0.000 1.024 212 V CB -1.608 30.159 31.823 -0.093 0.000 0.648 212 V HN 0.769 nan 8.190 nan 0.000 0.447 213 G N -0.892 107.874 108.800 -0.057 0.000 2.459 213 G HA2 -0.271 3.689 3.960 0.000 0.000 0.217 213 G HA3 -0.271 3.689 3.960 0.000 0.000 0.217 213 G C 1.483 176.360 174.900 -0.038 0.000 1.183 213 G CA 0.691 45.762 45.100 -0.048 0.000 0.776 213 G HN 0.443 nan 8.290 nan 0.000 0.552 214 Q N 0.137 119.916 119.800 -0.034 0.000 2.096 214 Q HA -0.139 4.201 4.340 0.000 0.000 0.204 214 Q C 2.419 178.402 176.000 -0.028 0.000 0.982 214 Q CA 1.694 57.480 55.803 -0.028 0.000 0.850 214 Q CB -0.414 28.310 28.738 -0.023 0.000 0.901 214 Q HN 0.593 nan 8.270 nan 0.000 0.422 215 E N 0.781 120.962 120.200 -0.031 0.000 2.110 215 E HA -0.105 4.245 4.350 0.000 0.000 0.193 215 E C 1.938 178.519 176.600 -0.033 0.000 0.988 215 E CA 0.802 57.184 56.400 -0.030 0.000 0.804 215 E CB -0.301 29.380 29.700 -0.031 0.000 0.745 215 E HN 0.332 nan 8.360 nan 0.000 0.458 216 L N -0.606 120.593 121.223 -0.039 0.000 2.362 216 L HA -0.030 4.311 4.340 0.000 0.000 0.219 216 L C 2.070 178.920 176.870 -0.033 0.000 1.134 216 L CA 0.888 55.703 54.840 -0.041 0.000 0.807 216 L CB -0.284 41.745 42.059 -0.050 0.000 0.927 216 L HN 0.199 nan 8.230 nan 0.000 0.447 217 A N -0.740 122.062 122.820 -0.030 0.000 2.108 217 A HA 0.260 4.581 4.320 0.000 0.000 0.206 217 A C 2.118 179.688 177.584 -0.023 0.000 1.212 217 A CA 0.724 52.745 52.037 -0.026 0.000 0.843 217 A CB -0.164 18.821 19.000 -0.025 0.000 0.902 217 A HN 0.321 nan 8.150 nan 0.000 0.477 218 G N -0.474 108.312 108.800 -0.023 0.000 3.020 218 G HA2 0.035 3.995 3.960 0.000 0.000 0.217 218 G HA3 0.035 3.995 3.960 0.000 0.000 0.217 218 G C 0.464 175.352 174.900 -0.019 0.000 1.144 218 G CA -0.140 44.948 45.100 -0.020 0.000 0.760 218 G HN 0.360 nan 8.290 nan 0.000 0.548 219 N N 1.723 120.410 118.700 -0.022 0.000 2.452 219 N HA 0.079 4.819 4.740 0.000 0.000 0.266 219 N C -1.134 174.365 175.510 -0.018 0.000 1.209 219 N CA -1.379 51.658 53.050 -0.021 0.000 0.929 219 N CB 2.068 40.540 38.487 -0.025 0.000 1.063 219 N HN -0.018 nan 8.380 nan 0.000 0.472 220 P HA -0.117 nan 4.420 nan 0.000 0.226 220 P C 0.313 177.605 177.300 -0.012 0.000 1.146 220 P CA 1.195 64.287 63.100 -0.014 0.000 0.773 220 P CB 0.349 32.042 31.700 -0.012 0.000 0.772 221 K N -0.474 119.918 120.400 -0.014 0.000 2.400 221 K HA 0.116 4.436 4.320 0.000 0.000 0.194 221 K C 0.488 177.082 176.600 -0.011 0.000 1.033 221 K CA 0.071 56.351 56.287 -0.012 0.000 1.021 221 K CB 0.216 32.706 32.500 -0.016 0.000 0.808 221 K HN 0.047 nan 8.250 nan 0.000 0.505 222 V N 1.699 121.605 119.914 -0.014 0.000 2.455 222 V HA 0.058 4.178 4.120 0.000 0.000 0.273 222 V C 1.148 177.237 176.094 -0.009 0.000 1.045 222 V CA -0.055 62.238 62.300 -0.012 0.000 0.976 222 V CB 1.035 32.847 31.823 -0.018 0.000 0.993 222 V HN 0.218 nan 8.190 nan 0.000 0.475 223 A N 5.268 128.088 122.820 -0.001 0.000 1.897 223 A HA 0.196 4.516 4.320 0.000 0.000 0.215 223 A C 0.877 178.450 177.584 -0.018 0.000 1.181 223 A CA 1.117 53.153 52.037 -0.003 0.000 0.620 223 A CB 0.075 19.082 19.000 0.011 0.000 0.821 223 A HN 0.744 nan 8.150 nan 0.000 0.443 224 M N -0.877 118.712 119.600 -0.019 0.000 2.365 224 M HA 0.512 4.993 4.480 0.000 0.000 0.287 224 M C -2.142 174.140 176.300 -0.030 0.000 1.154 224 M CA -0.504 54.769 55.300 -0.046 0.000 0.941 224 M CB 2.153 34.690 32.600 -0.104 0.000 1.704 224 M HN 0.001 nan 8.290 nan 0.000 0.479 225 V N 3.680 123.572 119.914 -0.036 0.000 2.370 225 V HA 0.617 4.738 4.120 0.000 0.000 0.283 225 V C -0.907 175.170 176.094 -0.028 0.000 1.023 225 V CA 0.026 62.312 62.300 -0.023 0.000 0.857 225 V CB 1.728 33.536 31.823 -0.025 0.000 0.985 225 V HN 0.873 nan 8.190 nan 0.000 0.443 226 S N 8.899 124.596 115.700 -0.004 0.000 2.420 226 S HA 0.603 5.073 4.470 0.000 0.000 0.313 226 S C -0.533 174.069 174.600 0.004 0.000 1.079 226 S CA -0.650 57.553 58.200 0.005 0.000 1.104 226 S CB 0.490 63.733 63.200 0.073 0.000 0.969 226 S HN 0.844 nan 8.310 nan 0.000 0.471 227 M N 4.689 124.285 119.600 -0.007 0.000 2.464 227 M HA 0.478 4.958 4.480 0.000 0.000 0.308 227 M C -1.519 174.776 176.300 -0.009 0.000 1.127 227 M CA -0.097 55.196 55.300 -0.011 0.000 0.913 227 M CB 1.865 34.456 32.600 -0.016 0.000 1.689 227 M HN 0.512 nan 8.290 nan 0.000 0.445 228 T N 3.621 118.166 114.554 -0.015 0.000 2.847 228 T HA 0.807 5.157 4.350 0.000 0.000 0.291 228 T C -0.060 174.617 174.700 -0.040 0.000 0.998 228 T CA -0.319 61.770 62.100 -0.018 0.000 0.967 228 T CB 1.466 70.323 68.868 -0.018 0.000 0.954 228 T HN 0.962 nan 8.240 nan 0.000 0.441 229 G N 1.902 110.675 108.800 -0.044 0.000 2.474 229 G HA2 0.544 4.504 3.960 0.000 0.000 0.234 229 G HA3 0.544 4.504 3.960 0.000 0.000 0.234 229 G C -0.589 174.268 174.900 -0.071 0.000 1.204 229 G CA -0.325 44.736 45.100 -0.066 0.000 0.939 229 G HN 0.832 nan 8.290 nan 0.000 0.491 230 S N -0.420 115.253 115.700 -0.045 0.000 2.603 230 S HA 0.443 4.913 4.470 0.000 0.000 0.268 230 S C 1.463 176.070 174.600 0.011 0.000 1.317 230 S CA 0.181 58.362 58.200 -0.032 0.000 1.012 230 S CB 1.563 64.757 63.200 -0.009 0.000 0.926 230 S HN 0.964 nan 8.310 nan 0.000 0.539 231 V N 2.211 122.154 119.914 0.048 0.000 2.255 231 V HA -0.209 3.911 4.120 0.000 0.000 0.247 231 V C 3.027 179.129 176.094 0.014 0.000 1.051 231 V CA 2.448 64.775 62.300 0.045 0.000 1.018 231 V CB -1.721 30.133 31.823 0.052 0.000 0.641 231 V HN 1.088 nan 8.190 nan 0.000 0.445 232 S N 1.235 116.944 115.700 0.015 0.000 2.383 232 S HA -0.189 4.281 4.470 0.000 0.000 0.229 232 S C 2.071 176.674 174.600 0.005 0.000 1.030 232 S CA 1.455 59.659 58.200 0.007 0.000 1.002 232 S CB -0.635 62.572 63.200 0.012 0.000 0.829 232 S HN 0.609 nan 8.310 nan 0.000 0.467 233 A N 1.875 124.700 122.820 0.008 0.000 1.930 233 A HA 0.276 4.596 4.320 0.000 0.000 0.217 233 A C 2.398 179.981 177.584 -0.002 0.000 1.175 233 A CA 1.379 53.419 52.037 0.005 0.000 0.627 233 A CB -1.657 17.349 19.000 0.011 0.000 0.815 233 A HN 0.649 nan 8.150 nan 0.000 0.443 234 G N -0.382 108.417 108.800 -0.002 0.000 2.422 234 G HA2 -0.179 3.781 3.960 0.000 0.000 0.218 234 G HA3 -0.179 3.781 3.960 0.000 0.000 0.218 234 G C 1.391 176.284 174.900 -0.012 0.000 1.140 234 G CA 0.951 46.047 45.100 -0.007 0.000 0.775 234 G HN 0.662 nan 8.290 nan 0.000 0.545 235 E N 0.410 120.603 120.200 -0.011 0.000 2.077 235 E HA -0.087 4.263 4.350 0.000 0.000 0.193 235 E C 2.491 179.083 176.600 -0.014 0.000 0.989 235 E CA 0.918 57.308 56.400 -0.015 0.000 0.800 235 E CB -0.075 29.616 29.700 -0.015 0.000 0.746 235 E HN 0.360 nan 8.360 nan 0.000 0.452 236 K N 0.326 120.720 120.400 -0.011 0.000 2.097 236 K HA -0.096 4.224 4.320 0.000 0.000 0.205 236 K C 2.079 178.671 176.600 -0.014 0.000 1.050 236 K CA 0.730 57.011 56.287 -0.011 0.000 0.938 236 K CB 0.058 32.553 32.500 -0.008 0.000 0.718 236 K HN 0.087 nan 8.250 nan 0.000 0.442 237 I N 1.139 121.700 120.570 -0.015 0.000 2.233 237 I HA -0.206 3.964 4.170 0.000 0.000 0.243 237 I C 2.388 178.494 176.117 -0.019 0.000 1.093 237 I CA 1.360 62.649 61.300 -0.018 0.000 1.380 237 I CB -0.679 37.310 38.000 -0.017 0.000 1.067 237 I HN 0.263 nan 8.210 nan 0.000 0.413 238 M N 0.512 120.100 119.600 -0.020 0.000 2.132 238 M HA -0.143 4.337 4.480 0.000 0.000 0.263 238 M C 2.347 178.634 176.300 -0.021 0.000 1.065 238 M CA 1.875 57.161 55.300 -0.022 0.000 1.122 238 M CB -0.052 32.533 32.600 -0.024 0.000 1.365 238 M HN 0.171 nan 8.290 nan 0.000 0.411 239 A N -0.324 122.484 122.820 -0.019 0.000 1.908 239 A HA -0.171 4.149 4.320 0.000 0.000 0.218 239 A C 2.068 179.642 177.584 -0.017 0.000 1.181 239 A CA 2.390 54.416 52.037 -0.018 0.000 0.627 239 A CB -1.288 17.703 19.000 -0.016 0.000 0.818 239 A HN 0.561 nan 8.150 nan 0.000 0.445 240 T N 0.118 114.662 114.554 -0.017 0.000 2.737 240 T HA 0.031 4.381 4.350 0.000 0.000 0.265 240 T C 2.207 176.896 174.700 -0.018 0.000 1.038 240 T CA 1.481 63.570 62.100 -0.017 0.000 1.144 240 T CB -0.464 68.394 68.868 -0.018 0.000 0.866 240 T HN 0.602 nan 8.240 nan 0.000 0.434 241 A N 1.279 124.087 122.820 -0.020 0.000 2.076 241 A HA 0.126 4.446 4.320 0.000 0.000 0.220 241 A C 2.526 180.098 177.584 -0.020 0.000 1.160 241 A CA 1.699 53.724 52.037 -0.021 0.000 0.653 241 A CB -0.866 18.120 19.000 -0.024 0.000 0.801 241 A HN 0.509 nan 8.150 nan 0.000 0.455 242 A N 0.098 122.906 122.820 -0.020 0.000 1.969 242 A HA -0.135 4.186 4.320 0.000 0.000 0.218 242 A C 2.030 179.605 177.584 -0.017 0.000 1.169 242 A CA 1.609 53.634 52.037 -0.019 0.000 0.635 242 A CB -0.387 18.602 19.000 -0.019 0.000 0.810 242 A HN 0.562 nan 8.150 nan 0.000 0.445 243 K N -0.222 120.169 120.400 -0.016 0.000 2.160 243 K HA -0.118 4.202 4.320 0.000 0.000 0.206 243 K C 0.379 176.971 176.600 -0.014 0.000 1.047 243 K CA 1.376 57.654 56.287 -0.014 0.000 0.930 243 K CB -0.121 32.370 32.500 -0.014 0.000 0.720 243 K HN 0.393 nan 8.250 nan 0.000 0.450 244 N N 0.536 119.227 118.700 -0.014 0.000 2.235 244 N HA 0.098 4.838 4.740 0.000 0.000 0.231 244 N C -0.479 175.023 175.510 -0.014 0.000 1.177 244 N CA 0.044 53.086 53.050 -0.013 0.000 0.874 244 N CB 0.777 39.255 38.487 -0.014 0.000 1.097 244 N HN 0.002 nan 8.380 nan 0.000 0.518 245 I N 0.856 121.417 120.570 -0.015 0.000 6.532 245 I HA -0.240 3.930 4.170 0.000 0.000 0.126 245 I C -0.356 175.751 176.117 -0.018 0.000 1.811 245 I CA 0.824 62.114 61.300 -0.016 0.000 2.115 245 I CB -3.165 34.827 38.000 -0.014 0.000 3.474 245 I HN -0.039 nan 8.210 nan 0.000 0.192 246 T N 2.269 116.812 114.554 -0.020 0.000 2.832 246 T HA 0.188 4.538 4.350 0.000 0.000 0.296 246 T C 0.763 175.446 174.700 -0.028 0.000 0.968 246 T CA -0.434 61.653 62.100 -0.022 0.000 1.107 246 T CB 1.925 70.779 68.868 -0.022 0.000 0.916 246 T HN 0.283 nan 8.240 nan 0.000 0.517 247 K N 2.607 122.986 120.400 -0.034 0.000 2.382 247 K HA 0.341 4.662 4.320 0.000 0.000 0.275 247 K C -0.226 176.343 176.600 -0.051 0.000 1.009 247 K CA -0.508 55.752 56.287 -0.044 0.000 0.970 247 K CB 0.340 32.807 32.500 -0.055 0.000 0.934 247 K HN 0.481 nan 8.250 nan 0.000 0.479 248 V N 1.041 120.925 119.914 -0.051 0.000 2.769 248 V HA 0.563 4.683 4.120 0.000 0.000 0.312 248 V C -1.072 174.987 176.094 -0.058 0.000 1.061 248 V CA -1.069 61.201 62.300 -0.050 0.000 0.931 248 V CB 1.407 33.207 31.823 -0.037 0.000 1.010 248 V HN 0.910 nan 8.190 nan 0.000 0.433 249 C N 6.173 125.438 119.300 -0.058 0.000 2.356 249 C HA 0.780 5.240 4.460 0.000 0.000 0.324 249 C C -0.632 174.342 174.990 -0.026 0.000 1.167 249 C CA -0.372 58.615 59.018 -0.051 0.000 1.420 249 C CB -0.868 26.821 27.740 -0.086 0.000 2.036 249 C HN 0.956 nan 8.230 nan 0.000 0.435 250 L N 5.032 126.243 121.223 -0.021 0.000 2.346 250 L HA 0.665 5.005 4.340 0.000 0.000 0.276 250 L C -0.139 176.728 176.870 -0.004 0.000 1.006 250 L CA -0.251 54.582 54.840 -0.011 0.000 0.817 250 L CB 1.666 43.717 42.059 -0.013 0.000 1.272 250 L HN 0.512 nan 8.230 nan 0.000 0.421 251 E N 3.857 124.062 120.200 0.008 0.000 2.267 251 E HA 0.313 4.663 4.350 0.000 0.000 0.248 251 E C -0.589 176.029 176.600 0.029 0.000 0.899 251 E CA -0.207 56.207 56.400 0.022 0.000 0.764 251 E CB 1.528 31.258 29.700 0.050 0.000 1.227 251 E HN 0.597 nan 8.360 nan 0.000 0.421 252 L N 2.560 123.814 121.223 0.051 0.000 2.965 252 L HA 0.397 4.737 4.340 0.000 0.000 0.254 252 L C 0.912 177.847 176.870 0.108 0.000 1.220 252 L CA -0.068 54.814 54.840 0.070 0.000 1.023 252 L CB 0.144 42.255 42.059 0.087 0.000 1.355 252 L HN 0.670 nan 8.230 nan 0.000 0.545 253 G N -0.130 108.710 108.800 0.066 0.000 2.631 253 G HA2 0.168 4.129 3.960 0.000 0.000 0.504 253 G HA3 0.168 4.129 3.960 0.000 0.000 0.504 253 G C -0.407 174.428 174.900 -0.109 0.000 1.306 253 G CA -0.541 44.544 45.100 -0.025 0.000 0.897 253 G HN 0.530 nan 8.290 nan 0.000 0.520 254 G N -1.614 106.928 108.800 -0.431 0.000 2.550 254 G HA2 0.717 4.677 3.960 0.000 0.000 0.293 254 G HA3 0.717 4.677 3.960 0.000 0.000 0.293 254 G C -1.023 173.575 174.900 -0.503 0.000 1.402 254 G CA 0.405 45.218 45.100 -0.479 0.000 0.784 254 G HN 1.254 nan 8.290 nan 0.000 0.482 255 K N 0.196 120.516 120.400 -0.134 0.000 3.309 255 K HA 0.624 4.944 4.320 0.000 0.000 0.187 255 K C 0.376 177.047 176.600 0.119 0.000 1.085 255 K CA 0.010 56.303 56.287 0.010 0.000 0.867 255 K CB 0.319 32.904 32.500 0.141 0.000 0.846 255 K HN 0.949 nan 8.250 nan 0.000 0.522 256 A N 3.059 125.934 122.820 0.092 0.000 2.563 256 A HA 0.153 4.473 4.320 0.000 0.000 0.256 256 A C -2.117 175.478 177.584 0.017 0.000 1.056 256 A CA -0.309 51.763 52.037 0.058 0.000 0.775 256 A CB -0.587 18.444 19.000 0.051 0.000 0.973 256 A HN 0.389 nan 8.150 nan 0.000 0.516 257 P HA 0.491 nan 4.420 nan 0.000 0.286 257 P C -0.761 176.539 177.300 -0.001 0.000 1.261 257 P CA -0.300 62.829 63.100 0.048 0.000 0.821 257 P CB 1.746 33.483 31.700 0.063 0.000 1.013 258 A N 3.913 126.806 122.820 0.123 0.000 2.343 258 A HA 0.656 4.976 4.320 0.000 0.000 0.308 258 A C -0.387 177.318 177.584 0.202 0.000 1.092 258 A CA -0.829 51.295 52.037 0.146 0.000 0.751 258 A CB 0.499 19.607 19.000 0.180 0.000 1.203 258 A HN 0.447 nan 8.150 nan 0.000 0.452 259 I N 3.024 123.683 120.570 0.149 0.000 2.339 259 I HA 0.350 4.520 4.170 0.000 0.000 0.290 259 I C -0.728 175.518 176.117 0.215 0.000 0.994 259 I CA -0.807 60.584 61.300 0.150 0.000 1.191 259 I CB 1.861 39.838 38.000 -0.039 0.000 1.343 259 I HN 0.297 nan 8.210 nan 0.000 0.458 260 V N 6.846 126.862 119.914 0.170 0.000 2.328 260 V HA 0.378 4.499 4.120 0.000 0.000 0.278 260 V C 0.401 176.540 176.094 0.075 0.000 1.021 260 V CA -0.608 61.694 62.300 0.005 0.000 0.838 260 V CB 1.226 32.708 31.823 -0.568 0.000 0.999 260 V HN 0.610 nan 8.190 nan 0.000 0.447 261 M N 2.122 121.790 119.600 0.113 0.000 2.291 261 M HA 0.349 4.829 4.480 0.000 0.000 0.324 261 M C 1.169 177.478 176.300 0.016 0.000 1.148 261 M CA -0.402 54.966 55.300 0.112 0.000 1.104 261 M CB 0.696 33.367 32.600 0.117 0.000 1.483 261 M HN 0.508 nan 8.290 nan 0.000 0.467 262 D N 1.211 121.609 120.400 -0.004 0.000 2.158 262 D HA -0.175 4.465 4.640 0.000 0.000 0.197 262 D C 0.915 177.222 176.300 0.012 0.000 0.995 262 D CA 1.534 55.525 54.000 -0.015 0.000 0.846 262 D CB -0.140 40.650 40.800 -0.016 0.000 0.941 262 D HN 0.628 nan 8.370 nan 0.000 0.456 263 D N 0.062 120.479 120.400 0.027 0.000 2.352 263 D HA 0.129 4.769 4.640 0.000 0.000 0.236 263 D C 0.199 176.526 176.300 0.046 0.000 1.148 263 D CA -0.210 53.809 54.000 0.033 0.000 0.844 263 D CB -0.380 40.440 40.800 0.032 0.000 0.933 263 D HN -0.028 nan 8.370 nan 0.000 0.507 264 A N 0.519 123.370 122.820 0.052 0.000 2.371 264 A HA 0.172 4.492 4.320 0.000 0.000 0.257 264 A C 0.280 177.906 177.584 0.071 0.000 1.089 264 A CA -0.529 51.556 52.037 0.080 0.000 0.794 264 A CB 0.441 19.496 19.000 0.091 0.000 1.029 264 A HN 0.146 nan 8.150 nan 0.000 0.488 265 D N 2.517 122.967 120.400 0.084 0.000 2.398 265 D HA 0.003 4.643 4.640 0.000 0.000 0.250 265 D C 1.137 177.469 176.300 0.055 0.000 1.287 265 D CA -0.003 54.035 54.000 0.063 0.000 0.992 265 D CB 0.112 40.952 40.800 0.066 0.000 1.071 265 D HN 0.533 nan 8.370 nan 0.000 0.514 266 L N 4.075 125.333 121.223 0.060 0.000 2.021 266 L HA -0.232 4.108 4.340 0.000 0.000 0.215 266 L C 2.071 178.964 176.870 0.038 0.000 1.074 266 L CA 1.497 56.390 54.840 0.089 0.000 0.760 266 L CB 0.021 42.133 42.059 0.088 0.000 0.889 266 L HN 0.343 nan 8.230 nan 0.000 0.433 267 E N -0.369 119.833 120.200 0.004 0.000 2.077 267 E HA -0.252 4.099 4.350 0.000 0.000 0.193 267 E C 2.080 178.658 176.600 -0.037 0.000 0.989 267 E CA 1.445 57.829 56.400 -0.027 0.000 0.800 267 E CB -0.478 29.209 29.700 -0.020 0.000 0.746 267 E HN 0.429 nan 8.360 nan 0.000 0.452 268 L N 0.907 122.121 121.223 -0.015 0.000 2.017 268 L HA -0.122 4.218 4.340 0.000 0.000 0.208 268 L C 2.217 179.028 176.870 -0.098 0.000 1.073 268 L CA 2.214 57.046 54.840 -0.014 0.000 0.745 268 L CB -0.776 41.313 42.059 0.049 0.000 0.894 268 L HN 0.046 nan 8.230 nan 0.000 0.432 269 A N -1.132 121.578 122.820 -0.183 0.000 1.877 269 A HA -0.155 4.165 4.320 0.000 0.000 0.216 269 A C 2.253 179.644 177.584 -0.322 0.000 1.186 269 A CA 2.067 53.748 52.037 -0.593 0.000 0.620 269 A CB -1.173 17.550 19.000 -0.463 0.000 0.822 269 A HN 0.315 nan 8.150 nan 0.000 0.443 270 V N 0.240 120.092 119.914 -0.104 0.000 2.407 270 V HA -0.273 3.847 4.120 0.000 0.000 0.248 270 V C 2.538 178.543 176.094 -0.148 0.000 1.055 270 V CA 2.423 64.628 62.300 -0.158 0.000 1.049 270 V CB -0.656 31.018 31.823 -0.248 0.000 0.662 270 V HN 0.682 nan 8.190 nan 0.000 0.455 271 K N 0.150 120.475 120.400 -0.125 0.000 2.025 271 K HA -0.133 4.187 4.320 0.000 0.000 0.207 271 K C 2.267 178.803 176.600 -0.108 0.000 1.049 271 K CA 1.411 57.640 56.287 -0.098 0.000 0.933 271 K CB -0.345 32.113 32.500 -0.070 0.000 0.714 271 K HN 0.396 nan 8.250 nan 0.000 0.438 272 A N 1.590 124.333 122.820 -0.128 0.000 1.865 272 A HA -0.185 4.135 4.320 0.000 0.000 0.217 272 A C 2.131 179.646 177.584 -0.115 0.000 1.191 272 A CA 1.768 53.734 52.037 -0.118 0.000 0.623 272 A CB -0.730 18.285 19.000 0.024 0.000 0.826 272 A HN 0.360 nan 8.150 nan 0.000 0.444 273 I N -0.543 119.956 120.570 -0.119 0.000 2.179 273 I HA -0.234 3.936 4.170 0.000 0.000 0.242 273 I C 2.415 178.506 176.117 -0.044 0.000 1.088 273 I CA 1.347 62.617 61.300 -0.050 0.000 1.357 273 I CB -0.428 37.562 38.000 -0.016 0.000 1.051 273 I HN 0.176 nan 8.210 nan 0.000 0.409 274 V N 0.815 120.692 119.914 -0.061 0.000 2.255 274 V HA -0.326 3.794 4.120 0.000 0.000 0.247 274 V C 2.154 178.236 176.094 -0.021 0.000 1.051 274 V CA 2.151 64.425 62.300 -0.044 0.000 1.018 274 V CB -0.706 31.081 31.823 -0.059 0.000 0.641 274 V HN 0.395 nan 8.190 nan 0.000 0.445 275 D N 0.354 120.735 120.400 -0.032 0.000 2.106 275 D HA -0.154 4.486 4.640 0.000 0.000 0.191 275 D C 2.405 178.730 176.300 0.041 0.000 0.997 275 D CA 1.975 55.981 54.000 0.009 0.000 0.834 275 D CB -0.440 40.334 40.800 -0.043 0.000 0.956 275 D HN 0.384 nan 8.370 nan 0.000 0.448 276 S N -0.255 115.413 115.700 -0.053 0.000 2.442 276 S HA -0.156 4.314 4.470 0.000 0.000 0.236 276 S C 1.807 176.424 174.600 0.028 0.000 1.007 276 S CA 0.873 59.058 58.200 -0.025 0.000 0.965 276 S CB 0.168 63.296 63.200 -0.120 0.000 0.773 276 S HN 0.080 nan 8.310 nan 0.000 0.504 277 R N 0.757 121.266 120.500 0.015 0.000 2.167 277 R HA 0.276 4.616 4.340 0.000 0.000 0.201 277 R C 1.819 178.124 176.300 0.009 0.000 1.024 277 R CA 0.631 56.736 56.100 0.009 0.000 1.053 277 R CB -1.007 29.295 30.300 0.003 0.000 0.987 277 R HN 0.235 nan 8.270 nan 0.000 0.493 278 V N 0.905 120.833 119.914 0.023 0.000 3.129 278 V HA 0.254 4.374 4.120 0.000 0.000 0.259 278 V C 1.052 177.170 176.094 0.040 0.000 1.116 278 V CA 0.167 62.484 62.300 0.029 0.000 1.127 278 V CB -0.290 31.555 31.823 0.036 0.000 0.742 278 V HN 0.285 nan 8.190 nan 0.000 0.474 279 I N 1.329 121.940 120.570 0.068 0.000 2.775 279 I HA -0.068 4.103 4.170 0.000 0.000 0.290 279 I C 1.281 177.418 176.117 0.033 0.000 1.203 279 I CA 1.096 62.445 61.300 0.083 0.000 1.433 279 I CB -0.171 37.923 38.000 0.156 0.000 1.354 279 I HN 0.571 nan 8.210 nan 0.000 0.579 280 N N 4.864 123.570 118.700 0.010 0.000 2.708 280 N HA -0.248 4.492 4.740 0.000 0.000 0.249 280 N C 0.184 175.660 175.510 -0.056 0.000 1.097 280 N CA 0.757 53.773 53.050 -0.058 0.000 0.710 280 N CB -0.395 38.010 38.487 -0.138 0.000 1.032 280 N HN 0.867 nan 8.380 nan 0.000 0.551 281 S N -2.434 113.255 115.700 -0.018 0.000 3.635 281 S HA -0.185 4.286 4.470 0.000 0.000 0.328 281 S C 1.111 175.667 174.600 -0.074 0.000 1.135 281 S CA 1.634 59.822 58.200 -0.020 0.000 0.942 281 S CB -1.874 61.322 63.200 -0.006 0.000 0.930 281 S HN 1.355 nan 8.310 nan 0.000 0.512 282 G N 0.151 108.892 108.800 -0.098 0.000 2.155 282 G HA2 -0.339 3.621 3.960 0.000 0.000 0.257 282 G HA3 -0.339 3.621 3.960 0.000 0.000 0.257 282 G C -0.021 174.625 174.900 -0.424 0.000 0.983 282 G CA 0.568 45.572 45.100 -0.162 0.000 0.676 282 G HN 0.683 nan 8.290 nan 0.000 0.528 283 Q N -0.004 119.491 119.800 -0.509 0.000 2.620 283 Q HA 0.462 4.802 4.340 0.000 0.000 0.333 283 Q C -0.078 175.263 176.000 -1.099 0.000 1.017 283 Q CA -0.059 55.059 55.803 -1.142 0.000 0.962 283 Q CB 0.779 29.326 28.738 -0.319 0.000 1.297 283 Q HN 0.376 nan 8.270 nan 0.000 0.419 284 V N -1.188 118.281 119.914 -0.741 0.000 2.789 284 V HA 0.092 4.212 4.120 0.000 0.000 0.311 284 V C 0.779 176.939 176.094 0.109 0.000 1.073 284 V CA -0.829 61.411 62.300 -0.101 0.000 0.921 284 V CB 1.821 33.705 31.823 0.102 0.000 1.009 284 V HN 0.471 nan 8.190 nan 0.000 0.426 285 C N 1.925 121.413 119.300 0.314 0.000 2.422 285 C HA -0.075 4.385 4.460 0.000 0.000 0.279 285 C C 1.947 177.052 174.990 0.191 0.000 1.305 285 C CA 1.445 60.638 59.018 0.291 0.000 1.757 285 C CB -1.436 26.447 27.740 0.239 0.000 1.962 285 C HN 1.086 nan 8.230 nan 0.000 0.499 286 N N -0.861 117.957 118.700 0.196 0.000 2.276 286 N HA 0.109 4.849 4.740 0.000 0.000 0.212 286 N C -0.183 175.395 175.510 0.114 0.000 1.127 286 N CA -0.123 53.041 53.050 0.189 0.000 0.834 286 N CB -0.548 38.112 38.487 0.288 0.000 1.014 286 N HN 0.325 nan 8.380 nan 0.000 0.491 287 C N 1.120 120.467 119.300 0.078 0.000 2.676 287 C HA 0.500 4.960 4.460 0.000 0.000 0.416 287 C C 1.259 176.269 174.990 0.033 0.000 1.299 287 C CA -0.946 58.096 59.018 0.040 0.000 2.048 287 C CB -0.664 27.070 27.740 -0.010 0.000 2.713 287 C HN 0.614 nan 8.230 nan 0.000 0.624 288 A N 3.135 125.967 122.820 0.021 0.000 2.476 288 A HA 0.165 4.485 4.320 0.000 0.000 0.275 288 A C 1.027 178.624 177.584 0.021 0.000 1.133 288 A CA 0.328 52.380 52.037 0.025 0.000 0.797 288 A CB 0.024 19.041 19.000 0.028 0.000 1.081 288 A HN 0.955 nan 8.150 nan 0.000 0.510 289 E N 1.467 121.682 120.200 0.026 0.000 2.473 289 E HA 0.040 4.390 4.350 0.000 0.000 0.204 289 E C -0.026 176.579 176.600 0.009 0.000 0.994 289 E CA 0.360 56.773 56.400 0.022 0.000 0.945 289 E CB 0.360 30.078 29.700 0.030 0.000 0.990 289 E HN 0.870 nan 8.360 nan 0.000 0.493 290 R N -0.624 119.875 120.500 -0.002 0.000 2.536 290 R HA 0.470 4.810 4.340 0.000 0.000 0.269 290 R C -1.088 175.140 176.300 -0.120 0.000 1.113 290 R CA -0.600 55.451 56.100 -0.081 0.000 0.948 290 R CB 1.056 31.303 30.300 -0.087 0.000 1.237 290 R HN -0.247 nan 8.270 nan 0.000 0.441 291 V N 2.955 122.755 119.914 -0.189 0.000 2.435 291 V HA 0.439 4.560 4.120 0.000 0.000 0.290 291 V C -1.028 174.905 176.094 -0.269 0.000 1.030 291 V CA -0.720 61.516 62.300 -0.108 0.000 0.881 291 V CB 1.213 33.059 31.823 0.038 0.000 0.983 291 V HN 0.626 nan 8.190 nan 0.000 0.445 292 Y N 2.847 123.214 120.300 0.113 0.000 2.328 292 Y HA 0.626 5.176 4.550 0.000 0.000 0.333 292 Y C -0.071 176.028 175.900 0.331 0.000 0.958 292 Y CA -0.798 57.449 58.100 0.245 0.000 1.167 292 Y CB 1.975 40.517 38.460 0.136 0.000 1.151 292 Y HN 0.395 nan 8.280 nan 0.000 0.470 293 V N 3.680 123.785 119.914 0.318 0.000 2.417 293 V HA 0.285 4.405 4.120 0.000 0.000 0.291 293 V C -0.116 175.756 176.094 -0.371 0.000 1.024 293 V CA -1.232 61.055 62.300 -0.021 0.000 0.861 293 V CB 1.531 33.278 31.823 -0.128 0.000 0.985 293 V HN 0.700 nan 8.190 nan 0.000 0.436 294 Q N 2.705 122.029 119.800 -0.795 0.000 2.361 294 Q HA 0.109 4.449 4.340 0.000 0.000 0.276 294 Q C 1.050 176.780 176.000 -0.450 0.000 1.022 294 Q CA 0.124 55.207 55.803 -1.199 0.000 0.898 294 Q CB 0.790 29.103 28.738 -0.709 0.000 1.246 294 Q HN 0.642 nan 8.270 nan 0.000 0.410 295 K N 2.239 122.421 120.400 -0.363 0.000 2.074 295 K HA -0.198 4.122 4.320 0.000 0.000 0.209 295 K C 1.746 178.317 176.600 -0.049 0.000 1.048 295 K CA 1.381 57.585 56.287 -0.139 0.000 0.926 295 K CB -0.315 32.097 32.500 -0.145 0.000 0.713 295 K HN 0.898 nan 8.250 nan 0.000 0.444 296 G N 1.169 109.922 108.800 -0.079 0.000 2.485 296 G HA2 -0.254 3.706 3.960 0.000 0.000 0.221 296 G HA3 -0.254 3.706 3.960 0.000 0.000 0.221 296 G C 1.362 176.266 174.900 0.006 0.000 1.115 296 G CA 0.789 45.871 45.100 -0.030 0.000 0.751 296 G HN 0.380 nan 8.290 nan 0.000 0.567 297 I N -1.757 118.814 120.570 0.002 0.000 4.082 297 I HA 0.283 4.453 4.170 0.000 0.000 0.337 297 I C 1.908 178.091 176.117 0.110 0.000 1.352 297 I CA -0.469 60.856 61.300 0.042 0.000 1.097 297 I CB 0.173 38.177 38.000 0.006 0.000 1.048 297 I HN 0.189 nan 8.210 nan 0.000 0.393 298 Y N 2.018 122.307 120.300 -0.017 0.000 2.040 298 Y HA -0.407 4.143 4.550 0.000 0.000 0.275 298 Y C 2.037 177.994 175.900 0.095 0.000 1.171 298 Y CA 2.447 60.571 58.100 0.040 0.000 1.123 298 Y CB -0.321 38.130 38.460 -0.015 0.000 0.963 298 Y HN 0.290 nan 8.280 nan 0.000 0.493 299 D N -0.186 120.384 120.400 0.282 0.000 2.120 299 D HA -0.278 4.362 4.640 0.000 0.000 0.191 299 D C 2.191 178.500 176.300 0.015 0.000 0.994 299 D CA 2.342 56.432 54.000 0.150 0.000 0.838 299 D CB -0.636 40.254 40.800 0.149 0.000 0.976 299 D HN 0.732 nan 8.370 nan 0.000 0.447 300 Q N -0.151 119.671 119.800 0.037 0.000 2.135 300 Q HA -0.176 4.164 4.340 0.000 0.000 0.204 300 Q C 2.279 178.261 176.000 -0.030 0.000 0.981 300 Q CA 1.166 56.971 55.803 0.003 0.000 0.856 300 Q CB -0.688 28.064 28.738 0.022 0.000 0.902 300 Q HN 0.333 nan 8.270 nan 0.000 0.425 301 F N 1.977 121.854 119.950 -0.121 0.000 2.084 301 F HA -0.140 4.387 4.527 0.000 0.000 0.296 301 F C 2.037 177.712 175.800 -0.207 0.000 1.111 301 F CA 1.244 59.153 58.000 -0.152 0.000 1.224 301 F CB -0.162 38.750 39.000 -0.147 0.000 0.991 301 F HN -0.134 nan 8.300 nan 0.000 0.471 302 V N 0.914 120.660 119.914 -0.280 0.000 2.490 302 V HA -0.331 3.789 4.120 0.000 0.000 0.250 302 V C 1.909 177.798 176.094 -0.341 0.000 1.061 302 V CA 2.297 64.351 62.300 -0.410 0.000 1.064 302 V CB -1.047 30.428 31.823 -0.579 0.000 0.670 302 V HN 0.360 nan 8.190 nan 0.000 0.461 303 N N -0.180 118.372 118.700 -0.246 0.000 2.106 303 N HA -0.101 4.639 4.740 0.000 0.000 0.188 303 N C 2.020 177.403 175.510 -0.213 0.000 1.029 303 N CA 1.036 53.981 53.050 -0.175 0.000 0.848 303 N CB -0.213 38.211 38.487 -0.106 0.000 1.007 303 N HN 0.298 nan 8.380 nan 0.000 0.423 304 R N 0.614 120.952 120.500 -0.270 0.000 2.073 304 R HA -0.072 4.268 4.340 0.000 0.000 0.234 304 R C 2.195 178.287 176.300 -0.347 0.000 1.134 304 R CA 0.693 56.627 56.100 -0.276 0.000 0.952 304 R CB -1.007 29.123 30.300 -0.284 0.000 0.850 304 R HN 0.333 nan 8.270 nan 0.000 0.433 305 L N 0.255 121.143 121.223 -0.557 0.000 2.042 305 L HA -0.138 4.202 4.340 0.000 0.000 0.210 305 L C 2.285 178.985 176.870 -0.284 0.000 1.076 305 L CA 1.718 56.248 54.840 -0.516 0.000 0.749 305 L CB -0.789 40.829 42.059 -0.735 0.000 0.893 305 L HN 0.295 nan 8.230 nan 0.000 0.432 306 G N -0.626 108.028 108.800 -0.243 0.000 2.446 306 G HA2 -0.275 3.686 3.960 0.000 0.000 0.217 306 G HA3 -0.275 3.686 3.960 0.000 0.000 0.217 306 G C 1.293 176.125 174.900 -0.113 0.000 1.168 306 G CA 0.805 45.816 45.100 -0.147 0.000 0.771 306 G HN 0.487 nan 8.290 nan 0.000 0.551 307 E N 0.781 120.909 120.200 -0.120 0.000 2.051 307 E HA -0.078 4.273 4.350 0.000 0.000 0.192 307 E C 2.973 179.524 176.600 -0.083 0.000 0.991 307 E CA 0.778 57.125 56.400 -0.090 0.000 0.799 307 E CB -0.292 29.354 29.700 -0.090 0.000 0.748 307 E HN 0.388 nan 8.360 nan 0.000 0.449 308 A N 1.663 124.418 122.820 -0.108 0.000 1.859 308 A HA -0.260 4.060 4.320 0.000 0.000 0.217 308 A C 2.254 179.801 177.584 -0.062 0.000 1.198 308 A CA 1.973 53.955 52.037 -0.092 0.000 0.629 308 A CB -0.645 18.281 19.000 -0.125 0.000 0.830 308 A HN 0.157 nan 8.150 nan 0.000 0.446 309 M N -1.233 118.326 119.600 -0.068 0.000 2.159 309 M HA -0.184 4.296 4.480 0.000 0.000 0.263 309 M C 2.498 178.794 176.300 -0.007 0.000 1.063 309 M CA 1.735 57.015 55.300 -0.033 0.000 1.110 309 M CB -0.343 32.234 32.600 -0.038 0.000 1.374 309 M HN 0.603 nan 8.290 nan 0.000 0.411 310 Q N 0.373 120.161 119.800 -0.021 0.000 2.226 310 Q HA -0.130 4.210 4.340 0.000 0.000 0.204 310 Q C 1.740 177.741 176.000 0.002 0.000 0.975 310 Q CA 1.576 57.377 55.803 -0.005 0.000 0.866 310 Q CB 0.039 28.764 28.738 -0.022 0.000 0.915 310 Q HN 0.543 nan 8.270 nan 0.000 0.440 311 A N 0.115 122.928 122.820 -0.012 0.000 2.119 311 A HA 0.081 4.401 4.320 0.000 0.000 0.216 311 A C 0.946 178.534 177.584 0.007 0.000 1.152 311 A CA 0.038 52.068 52.037 -0.012 0.000 0.708 311 A CB 0.099 19.083 19.000 -0.026 0.000 0.805 311 A HN 0.145 nan 8.150 nan 0.000 0.460 312 V N 2.696 122.629 119.914 0.030 0.000 2.450 312 V HA 0.024 4.145 4.120 0.000 0.000 0.281 312 V C 0.059 176.222 176.094 0.114 0.000 1.019 312 V CA 0.166 62.504 62.300 0.065 0.000 1.062 312 V CB 0.350 32.219 31.823 0.077 0.000 0.979 312 V HN 0.498 nan 8.190 nan 0.000 0.477 313 Q N 4.619 124.460 119.800 0.069 0.000 2.230 313 Q HA 0.563 4.903 4.340 0.000 0.000 0.248 313 Q C -0.645 175.419 176.000 0.107 0.000 0.915 313 Q CA -0.284 55.524 55.803 0.008 0.000 0.900 313 Q CB 2.265 30.957 28.738 -0.078 0.000 1.229 313 Q HN 0.710 nan 8.270 nan 0.000 0.439 314 F N -1.710 118.225 119.950 -0.026 0.000 2.565 314 F HA 0.902 5.429 4.527 0.000 0.000 0.313 314 F C -0.084 175.667 175.800 -0.081 0.000 1.091 314 F CA -0.815 57.189 58.000 0.006 0.000 0.915 314 F CB 1.711 40.754 39.000 0.073 0.000 1.208 314 F HN 0.553 nan 8.300 nan 0.000 0.453 315 G N 1.104 109.968 108.800 0.108 0.000 2.570 315 G HA2 0.203 4.163 3.960 0.000 0.000 0.310 315 G HA3 0.203 4.163 3.960 0.000 0.000 0.310 315 G C -2.040 172.988 174.900 0.213 0.000 1.266 315 G CA -1.136 43.917 45.100 -0.078 0.000 0.825 315 G HN 0.796 nan 8.290 nan 0.000 0.483 316 N N 1.792 120.565 118.700 0.123 0.000 2.402 316 N HA 0.226 4.966 4.740 0.000 0.000 0.252 316 N C -0.863 174.709 175.510 0.103 0.000 1.118 316 N CA -1.857 51.309 53.050 0.193 0.000 0.945 316 N CB 1.698 40.257 38.487 0.119 0.000 1.147 316 N HN 0.113 nan 8.380 nan 0.000 0.495 317 P HA -0.174 nan 4.420 nan 0.000 0.218 317 P C 0.733 178.056 177.300 0.037 0.000 1.146 317 P CA 1.116 64.254 63.100 0.063 0.000 0.813 317 P CB 0.232 31.968 31.700 0.059 0.000 0.778 318 A N -0.131 122.711 122.820 0.036 0.000 2.067 318 A HA -0.080 4.240 4.320 0.000 0.000 0.217 318 A C 1.931 179.523 177.584 0.013 0.000 1.156 318 A CA 1.062 53.112 52.037 0.021 0.000 0.683 318 A CB -0.725 18.287 19.000 0.020 0.000 0.808 318 A HN 0.201 nan 8.150 nan 0.000 0.455 319 E N -1.171 119.037 120.200 0.013 0.000 2.498 319 E HA 0.172 4.522 4.350 0.000 0.000 0.203 319 E C -0.298 176.296 176.600 -0.010 0.000 1.013 319 E CA -0.053 56.347 56.400 -0.001 0.000 0.927 319 E CB 0.484 30.181 29.700 -0.006 0.000 1.012 319 E HN 0.407 nan 8.360 nan 0.000 0.482 320 R N 0.660 121.158 120.500 -0.004 0.000 2.566 320 R HA 0.238 4.578 4.340 0.000 0.000 0.271 320 R C -0.525 175.774 176.300 -0.001 0.000 1.071 320 R CA -0.451 55.642 56.100 -0.012 0.000 0.915 320 R CB 0.950 31.232 30.300 -0.029 0.000 1.228 320 R HN -0.007 nan 8.270 nan 0.000 0.449 321 N N 0.930 119.627 118.700 -0.005 0.000 2.200 321 N HA -0.053 4.687 4.740 0.000 0.000 0.224 321 N C -0.269 175.240 175.510 -0.001 0.000 1.179 321 N CA -0.101 52.950 53.050 0.001 0.000 0.877 321 N CB 0.527 39.015 38.487 0.001 0.000 1.072 321 N HN 0.657 nan 8.380 nan 0.000 0.519 322 D N 0.595 120.989 120.400 -0.009 0.000 2.402 322 D HA 0.082 4.722 4.640 0.000 0.000 0.216 322 D C 0.682 176.974 176.300 -0.013 0.000 1.128 322 D CA -0.410 53.582 54.000 -0.014 0.000 0.833 322 D CB 0.165 40.949 40.800 -0.027 0.000 0.971 322 D HN 0.481 nan 8.370 nan 0.000 0.503 323 I N -3.491 117.079 120.570 -0.001 0.000 2.707 323 I HA 0.700 4.870 4.170 0.000 0.000 0.309 323 I C 0.761 176.904 176.117 0.044 0.000 1.001 323 I CA -1.146 60.163 61.300 0.016 0.000 1.129 323 I CB 2.123 40.138 38.000 0.025 0.000 1.308 323 I HN -0.229 nan 8.210 nan 0.000 0.466 324 A N 4.636 127.497 122.820 0.068 0.000 2.115 324 A HA 0.474 4.794 4.320 0.000 0.000 0.211 324 A C 0.836 178.476 177.584 0.093 0.000 1.169 324 A CA 0.298 52.378 52.037 0.072 0.000 0.787 324 A CB 0.128 19.169 19.000 0.068 0.000 0.858 324 A HN 0.776 nan 8.150 nan 0.000 0.474 325 M N -1.254 118.432 119.600 0.144 0.000 2.572 325 M HA 0.544 5.024 4.480 0.000 0.000 0.299 325 M C 0.252 176.686 176.300 0.224 0.000 1.205 325 M CA -0.506 54.892 55.300 0.162 0.000 0.876 325 M CB 2.205 34.912 32.600 0.178 0.000 1.728 325 M HN 0.162 nan 8.290 nan 0.000 0.458 326 G N 0.732 109.639 108.800 0.179 0.000 2.971 326 G HA2 0.823 4.783 3.960 0.000 0.000 0.235 326 G HA3 0.823 4.783 3.960 0.000 0.000 0.235 326 G C -3.007 171.996 174.900 0.171 0.000 1.351 326 G CA -1.216 44.014 45.100 0.216 0.000 1.039 326 G HN 0.386 nan 8.290 nan 0.000 0.563 327 P HA 0.314 nan 4.420 nan 0.000 0.279 327 P C -0.121 177.078 177.300 -0.168 0.000 1.276 327 P CA -0.456 62.393 63.100 -0.419 0.000 0.801 327 P CB 1.344 32.494 31.700 -0.917 0.000 1.127 328 L N 0.720 121.863 121.223 -0.134 0.000 2.466 328 L HA 0.090 4.430 4.340 0.000 0.000 0.257 328 L C 2.325 179.070 176.870 -0.208 0.000 1.189 328 L CA -0.507 54.267 54.840 -0.111 0.000 0.813 328 L CB -0.055 41.950 42.059 -0.089 0.000 1.118 328 L HN 0.288 nan 8.230 nan 0.000 0.471 329 I N 1.186 121.513 120.570 -0.404 0.000 2.194 329 I HA -0.254 3.916 4.170 0.000 0.000 0.246 329 I C 0.637 176.342 176.117 -0.687 0.000 1.093 329 I CA 1.541 62.422 61.300 -0.700 0.000 1.355 329 I CB -0.391 36.611 38.000 -1.664 0.000 1.046 329 I HN 0.967 nan 8.210 nan 0.000 0.413 330 N N -2.668 115.570 118.700 -0.771 0.000 3.116 330 N HA 0.420 5.160 4.740 0.000 0.000 0.244 330 N C 0.276 174.982 175.510 -1.340 0.000 1.485 330 N CA -0.141 52.269 53.050 -1.067 0.000 0.884 330 N CB 0.273 38.150 38.487 -1.017 0.000 1.415 330 N HN -0.118 nan 8.380 nan 0.000 0.524 331 A N 0.135 121.923 122.820 -1.720 0.000 1.892 331 A HA 0.001 4.321 4.320 0.000 0.000 0.218 331 A C 2.142 179.451 177.584 -0.457 0.000 1.188 331 A CA 2.931 54.370 52.037 -0.998 0.000 0.631 331 A CB -1.650 17.055 19.000 -0.492 0.000 0.822 331 A HN 1.008 nan 8.150 nan 0.000 0.447 332 A N -0.290 122.292 122.820 -0.398 0.000 1.908 332 A HA 0.100 4.420 4.320 0.000 0.000 0.218 332 A C 2.531 179.990 177.584 -0.210 0.000 1.181 332 A CA 2.379 54.276 52.037 -0.232 0.000 0.627 332 A CB -1.091 17.797 19.000 -0.187 0.000 0.818 332 A HN 1.167 nan 8.150 nan 0.000 0.445 333 A N -0.612 122.031 122.820 -0.296 0.000 1.877 333 A HA -0.055 4.265 4.320 0.000 0.000 0.216 333 A C 2.151 179.644 177.584 -0.151 0.000 1.186 333 A CA 1.782 53.698 52.037 -0.202 0.000 0.620 333 A CB -0.661 18.171 19.000 -0.280 0.000 0.822 333 A HN 0.661 nan 8.150 nan 0.000 0.443 334 L N 0.090 121.208 121.223 -0.174 0.000 2.012 334 L HA -0.179 4.161 4.340 0.000 0.000 0.210 334 L C 2.365 179.207 176.870 -0.047 0.000 1.073 334 L CA 2.728 57.529 54.840 -0.065 0.000 0.748 334 L CB -0.628 41.452 42.059 0.035 0.000 0.891 334 L HN 0.620 nan 8.230 nan 0.000 0.431 335 E N -0.836 119.333 120.200 -0.052 0.000 2.153 335 E HA -0.289 4.061 4.350 0.000 0.000 0.194 335 E C 2.390 178.969 176.600 -0.036 0.000 0.988 335 E CA 0.991 57.377 56.400 -0.023 0.000 0.811 335 E CB -0.076 29.607 29.700 -0.029 0.000 0.746 335 E HN 0.447 nan 8.360 nan 0.000 0.466 336 R N -0.126 120.339 120.500 -0.059 0.000 2.075 336 R HA -0.110 4.230 4.340 0.000 0.000 0.232 336 R C 2.302 178.560 176.300 -0.069 0.000 1.126 336 R CA 1.391 57.463 56.100 -0.045 0.000 0.963 336 R CB -0.042 30.237 30.300 -0.034 0.000 0.858 336 R HN 0.090 nan 8.270 nan 0.000 0.435 337 V N 1.162 120.991 119.914 -0.141 0.000 2.358 337 V HA -0.194 3.926 4.120 0.000 0.000 0.246 337 V C 2.264 178.193 176.094 -0.274 0.000 1.047 337 V CA 1.665 63.797 62.300 -0.280 0.000 1.035 337 V CB -0.424 31.067 31.823 -0.553 0.000 0.658 337 V HN 0.342 nan 8.190 nan 0.000 0.452 338 E N 0.033 120.140 120.200 -0.155 0.000 2.085 338 E HA -0.254 4.096 4.350 0.000 0.000 0.194 338 E C 2.324 178.943 176.600 0.031 0.000 0.994 338 E CA 1.482 57.907 56.400 0.042 0.000 0.801 338 E CB -0.193 29.587 29.700 0.134 0.000 0.743 338 E HN 0.683 nan 8.360 nan 0.000 0.453 339 Q N 0.336 120.140 119.800 0.006 0.000 2.084 339 Q HA -0.134 4.206 4.340 0.000 0.000 0.202 339 Q C 2.165 178.174 176.000 0.015 0.000 0.978 339 Q CA 1.286 57.098 55.803 0.015 0.000 0.844 339 Q CB -0.051 28.692 28.738 0.009 0.000 0.898 339 Q HN 0.140 nan 8.270 nan 0.000 0.426 340 K N -0.183 120.216 120.400 -0.003 0.000 2.148 340 K HA -0.093 4.227 4.320 0.000 0.000 0.204 340 K C 1.997 178.609 176.600 0.020 0.000 1.050 340 K CA 1.013 57.306 56.287 0.010 0.000 0.942 340 K CB 0.083 32.584 32.500 0.001 0.000 0.724 340 K HN 0.027 nan 8.250 nan 0.000 0.446 341 V N 1.110 121.034 119.914 0.015 0.000 2.453 341 V HA -0.198 3.922 4.120 0.000 0.000 0.247 341 V C 2.276 178.406 176.094 0.060 0.000 1.048 341 V CA 1.913 64.244 62.300 0.051 0.000 1.049 341 V CB -0.469 31.417 31.823 0.105 0.000 0.672 341 V HN 0.327 nan 8.190 nan 0.000 0.457 342 A N 0.379 123.233 122.820 0.057 0.000 1.902 342 A HA -0.247 4.073 4.320 0.000 0.000 0.217 342 A C 2.300 179.910 177.584 0.043 0.000 1.181 342 A CA 2.068 54.136 52.037 0.051 0.000 0.623 342 A CB -0.516 18.513 19.000 0.048 0.000 0.818 342 A HN 0.450 nan 8.150 nan 0.000 0.443 343 R N 0.133 120.656 120.500 0.039 0.000 2.105 343 R HA -0.061 4.279 4.340 0.000 0.000 0.239 343 R C 2.142 178.467 176.300 0.042 0.000 1.135 343 R CA 1.847 57.969 56.100 0.037 0.000 0.967 343 R CB -0.724 29.598 30.300 0.037 0.000 0.861 343 R HN 0.419 nan 8.270 nan 0.000 0.442 344 A N -0.395 122.453 122.820 0.047 0.000 1.858 344 A HA -0.105 4.215 4.320 0.000 0.000 0.216 344 A C 2.308 179.921 177.584 0.048 0.000 1.190 344 A CA 1.784 53.852 52.037 0.051 0.000 0.617 344 A CB -0.835 18.197 19.000 0.054 0.000 0.827 344 A HN 0.175 nan 8.150 nan 0.000 0.443 345 V N 0.254 120.196 119.914 0.047 0.000 2.287 345 V HA -0.308 3.812 4.120 0.000 0.000 0.248 345 V C 2.568 178.685 176.094 0.037 0.000 1.053 345 V CA 2.433 64.759 62.300 0.043 0.000 1.027 345 V CB -0.825 31.024 31.823 0.043 0.000 0.646 345 V HN 0.806 nan 8.190 nan 0.000 0.447 346 E N 0.127 120.349 120.200 0.036 0.000 2.160 346 E HA -0.269 4.082 4.350 0.000 0.000 0.195 346 E C 2.026 178.644 176.600 0.030 0.000 0.991 346 E CA 1.560 57.978 56.400 0.031 0.000 0.810 346 E CB -0.090 29.628 29.700 0.029 0.000 0.742 346 E HN 0.712 nan 8.360 nan 0.000 0.466 347 E N -1.384 118.837 120.200 0.034 0.000 2.482 347 E HA 0.007 4.357 4.350 0.000 0.000 0.196 347 E C 0.959 177.580 176.600 0.036 0.000 1.047 347 E CA 0.407 56.828 56.400 0.035 0.000 0.869 347 E CB 0.464 30.188 29.700 0.041 0.000 0.836 347 E HN 0.496 nan 8.360 nan 0.000 0.520 348 G N 0.675 109.497 108.800 0.036 0.000 2.205 348 G HA2 -0.183 3.777 3.960 0.000 0.000 0.180 348 G HA3 -0.183 3.777 3.960 0.000 0.000 0.180 348 G C 0.357 175.281 174.900 0.039 0.000 1.004 348 G CA -0.192 44.929 45.100 0.035 0.000 0.670 348 G HN 0.412 nan 8.290 nan 0.000 0.496 349 A N 0.015 122.862 122.820 0.044 0.000 2.406 349 A HA 0.718 5.038 4.320 0.000 0.000 0.243 349 A C 0.617 178.228 177.584 0.046 0.000 1.082 349 A CA 0.873 52.939 52.037 0.049 0.000 0.786 349 A CB 0.342 19.373 19.000 0.052 0.000 1.029 349 A HN 0.940 nan 8.150 nan 0.000 0.495 350 R N 1.091 121.621 120.500 0.049 0.000 2.437 350 R HA 0.516 4.856 4.340 0.000 0.000 0.310 350 R C -1.694 174.633 176.300 0.045 0.000 0.955 350 R CA -0.495 55.632 56.100 0.045 0.000 0.851 350 R CB 1.288 31.617 30.300 0.047 0.000 1.161 350 R HN 0.446 nan 8.270 nan 0.000 0.446 351 V N 5.900 125.839 119.914 0.041 0.000 2.356 351 V HA 0.190 4.310 4.120 0.000 0.000 0.258 351 V C 1.215 177.326 176.094 0.029 0.000 1.065 351 V CA 0.259 62.583 62.300 0.039 0.000 0.935 351 V CB 0.257 32.104 31.823 0.040 0.000 1.061 351 V HN 1.067 nan 8.190 nan 0.000 0.484 352 A N 6.793 129.628 122.820 0.026 0.000 1.824 352 A HA 0.110 4.431 4.320 0.000 0.000 0.215 352 A C 0.877 178.465 177.584 0.007 0.000 1.209 352 A CA 1.372 53.418 52.037 0.015 0.000 0.614 352 A CB -0.143 18.860 19.000 0.006 0.000 0.852 352 A HN 0.695 nan 8.150 nan 0.000 0.447 353 L N -4.923 116.303 121.223 0.005 0.000 2.283 353 L HA 0.753 5.093 4.340 0.000 0.000 0.259 353 L C 0.709 177.579 176.870 -0.000 0.000 1.027 353 L CA 0.015 54.855 54.840 -0.001 0.000 0.828 353 L CB -0.088 41.968 42.059 -0.006 0.000 1.380 353 L HN 1.395 nan 8.230 nan 0.000 0.425 354 G N 0.641 109.430 108.800 -0.017 0.000 2.550 354 G HA2 0.069 4.029 3.960 0.000 0.000 0.277 354 G HA3 0.069 4.029 3.960 0.000 0.000 0.277 354 G C 0.775 175.638 174.900 -0.061 0.000 1.190 354 G CA 1.353 46.418 45.100 -0.059 0.000 0.971 354 G HN 2.448 nan 8.290 nan 0.000 0.559 355 G N -1.162 107.602 108.800 -0.060 0.000 2.143 355 G HA2 -0.088 3.872 3.960 0.000 0.000 0.249 355 G HA3 -0.088 3.872 3.960 0.000 0.000 0.249 355 G C 0.192 175.082 174.900 -0.018 0.000 0.981 355 G CA 1.683 46.814 45.100 0.052 0.000 0.665 355 G HN 1.442 nan 8.290 nan 0.000 0.528 356 K N 0.135 120.366 120.400 -0.282 0.000 2.601 356 K HA 0.663 4.983 4.320 0.000 0.000 0.249 356 K C 0.362 176.706 176.600 -0.426 0.000 0.966 356 K CA -0.151 56.008 56.287 -0.213 0.000 0.827 356 K CB 1.190 33.631 32.500 -0.098 0.000 1.178 356 K HN 0.702 nan 8.250 nan 0.000 0.437 357 A N 2.814 125.476 122.820 -0.263 0.000 2.511 357 A HA 0.186 4.506 4.320 0.000 0.000 0.242 357 A C 0.347 177.903 177.584 -0.046 0.000 1.069 357 A CA -0.343 51.609 52.037 -0.142 0.000 0.763 357 A CB 0.125 19.273 19.000 0.247 0.000 1.001 357 A HN 0.637 nan 8.150 nan 0.000 0.498 358 V N 1.252 121.165 119.914 -0.002 0.000 2.637 358 V HA 0.293 4.413 4.120 0.000 0.000 0.296 358 V C 0.036 176.180 176.094 0.083 0.000 1.046 358 V CA -0.174 62.164 62.300 0.063 0.000 1.066 358 V CB 0.505 32.417 31.823 0.148 0.000 0.968 358 V HN 0.812 nan 8.190 nan 0.000 0.483 359 E N 4.514 124.748 120.200 0.057 0.000 2.046 359 E HA 0.671 5.021 4.350 0.000 0.000 0.279 359 E C 0.339 176.965 176.600 0.044 0.000 0.989 359 E CA 0.266 56.698 56.400 0.053 0.000 0.798 359 E CB 1.167 30.890 29.700 0.038 0.000 1.086 359 E HN 1.243 nan 8.360 nan 0.000 0.399 360 G N 2.253 111.080 108.800 0.044 0.000 2.317 360 G HA2 -0.002 3.958 3.960 0.000 0.000 0.293 360 G HA3 -0.002 3.958 3.960 0.000 0.000 0.293 360 G C -1.250 173.644 174.900 -0.009 0.000 1.287 360 G CA -1.127 43.986 45.100 0.022 0.000 0.850 360 G HN 0.333 nan 8.290 nan 0.000 0.515 361 K N 0.527 120.914 120.400 -0.022 0.000 2.466 361 K HA 0.445 4.765 4.320 0.000 0.000 0.278 361 K C 0.674 177.211 176.600 -0.106 0.000 1.048 361 K CA 1.442 57.683 56.287 -0.076 0.000 1.088 361 K CB -0.362 32.116 32.500 -0.037 0.000 0.884 361 K HN 2.244 nan 8.250 nan 0.000 0.478 362 G N 3.528 112.079 108.800 -0.415 0.000 2.603 362 G HA2 -0.206 3.754 3.960 0.000 0.000 0.686 362 G HA3 -0.206 3.754 3.960 0.000 0.000 0.686 362 G C -1.494 172.865 174.900 -0.902 0.000 1.286 362 G CA -0.749 43.954 45.100 -0.662 0.000 0.871 362 G HN 0.594 nan 8.290 nan 0.000 0.568 363 Y N 0.113 120.201 120.300 -0.354 0.000 2.748 363 Y HA 0.564 5.114 4.550 0.001 0.000 0.359 363 Y C -0.069 175.633 175.900 -0.330 0.000 1.030 363 Y CA -0.849 57.104 58.100 -0.245 0.000 1.169 363 Y CB 0.745 39.066 38.460 -0.230 0.000 1.127 363 Y HN 0.513 nan 8.280 nan 0.000 0.644 364 Y N 0.701 121.050 120.300 0.082 0.000 2.361 364 Y HA 0.446 4.996 4.550 0.000 0.000 0.332 364 Y C -0.655 175.216 175.900 -0.049 0.000 1.101 364 Y CA -1.321 56.790 58.100 0.019 0.000 1.137 364 Y CB 1.216 39.744 38.460 0.115 0.000 1.207 364 Y HN 0.413 nan 8.280 nan 0.000 0.463 365 Y N 5.031 125.215 120.300 -0.192 0.000 2.386 365 Y HA 0.437 4.987 4.550 0.000 0.000 0.334 365 Y C -2.640 172.934 175.900 -0.544 0.000 1.002 365 Y CA -2.665 55.284 58.100 -0.252 0.000 1.068 365 Y CB 2.007 40.387 38.460 -0.134 0.000 1.203 365 Y HN 0.388 nan 8.280 nan 0.000 0.443 366 P HA 0.218 nan 4.420 nan 0.000 0.274 366 P C -2.852 174.335 177.300 -0.189 0.000 1.231 366 P CA -1.717 61.027 63.100 -0.593 0.000 0.790 366 P CB 0.813 32.325 31.700 -0.314 0.000 0.951 367 P HA 0.101 nan 4.420 nan 0.000 0.265 367 P C -0.468 176.853 177.300 0.034 0.000 1.193 367 P CA 0.902 64.015 63.100 0.021 0.000 0.765 367 P CB 0.085 31.809 31.700 0.040 0.000 0.823 368 T N 3.767 118.365 114.554 0.073 0.000 2.881 368 T HA 0.485 4.835 4.350 0.000 0.000 0.290 368 T C -0.918 173.812 174.700 0.050 0.000 1.000 368 T CA -0.390 61.757 62.100 0.079 0.000 0.978 368 T CB 0.814 69.790 68.868 0.180 0.000 0.997 368 T HN 0.100 nan 8.240 nan 0.000 0.443 369 L N 4.402 125.643 121.223 0.030 0.000 2.305 369 L HA 0.637 4.977 4.340 0.000 0.000 0.284 369 L C -1.385 175.502 176.870 0.028 0.000 1.013 369 L CA -0.594 54.255 54.840 0.015 0.000 0.819 369 L CB 0.685 42.736 42.059 -0.012 0.000 1.227 369 L HN 0.591 nan 8.230 nan 0.000 0.417 370 L N 6.408 127.651 121.223 0.033 0.000 2.296 370 L HA 0.567 4.907 4.340 0.000 0.000 0.286 370 L C -0.566 176.335 176.870 0.052 0.000 1.023 370 L CA -0.483 54.383 54.840 0.044 0.000 0.812 370 L CB 1.586 43.672 42.059 0.046 0.000 1.223 370 L HN 0.585 nan 8.230 nan 0.000 0.421 371 L N 1.753 123.015 121.223 0.065 0.000 2.256 371 L HA 0.536 4.876 4.340 0.000 0.000 0.261 371 L C -0.367 176.556 176.870 0.089 0.000 1.022 371 L CA -0.805 54.094 54.840 0.099 0.000 0.828 371 L CB 1.393 43.522 42.059 0.117 0.000 1.374 371 L HN 0.522 nan 8.230 nan 0.000 0.436 372 D N 0.151 120.613 120.400 0.103 0.000 2.723 372 D HA -0.122 4.518 4.640 0.000 0.000 0.236 372 D C -0.750 175.587 176.300 0.062 0.000 1.138 372 D CA 0.492 54.531 54.000 0.066 0.000 0.676 372 D CB -1.274 39.557 40.800 0.052 0.000 1.069 372 D HN 0.056 nan 8.370 nan 0.000 0.430 373 V N 0.254 120.211 119.914 0.072 0.000 2.539 373 V HA 0.419 4.539 4.120 0.000 0.000 0.292 373 V C 0.994 177.134 176.094 0.075 0.000 1.045 373 V CA -0.497 61.844 62.300 0.067 0.000 0.945 373 V CB 2.001 33.857 31.823 0.055 0.000 0.993 373 V HN 0.019 nan 8.190 nan 0.000 0.464 374 R N 2.156 122.706 120.500 0.083 0.000 2.514 374 R HA 0.314 4.654 4.340 0.000 0.000 0.301 374 R C 0.712 177.094 176.300 0.137 0.000 0.962 374 R CA -0.774 55.386 56.100 0.099 0.000 0.882 374 R CB 1.582 31.931 30.300 0.081 0.000 1.143 374 R HN 0.685 nan 8.270 nan 0.000 0.452 375 Q N 2.343 122.246 119.800 0.173 0.000 2.242 375 Q HA -0.251 4.089 4.340 0.000 0.000 0.211 375 Q C 1.478 177.667 176.000 0.316 0.000 0.992 375 Q CA 2.235 58.182 55.803 0.240 0.000 0.889 375 Q CB 0.122 29.005 28.738 0.241 0.000 0.913 375 Q HN 0.671 nan 8.270 nan 0.000 0.422 376 E N -0.651 119.675 120.200 0.211 0.000 2.427 376 E HA -0.083 4.268 4.350 0.000 0.000 0.196 376 E C 0.073 176.733 176.600 0.101 0.000 1.028 376 E CA 0.083 56.569 56.400 0.143 0.000 0.864 376 E CB -0.351 29.384 29.700 0.058 0.000 0.813 376 E HN 0.445 nan 8.360 nan 0.000 0.514 377 M N 1.861 121.551 119.600 0.150 0.000 2.248 377 M HA 0.006 4.486 4.480 0.000 0.000 0.345 377 M C 1.213 177.620 176.300 0.179 0.000 1.243 377 M CA -0.115 55.259 55.300 0.123 0.000 1.090 377 M CB 0.920 33.584 32.600 0.107 0.000 1.683 377 M HN -0.056 nan 8.290 nan 0.000 0.450 378 S N 2.722 118.489 115.700 0.112 0.000 2.380 378 S HA -0.204 4.267 4.470 0.000 0.000 0.229 378 S C 1.584 176.291 174.600 0.179 0.000 1.043 378 S CA 1.532 59.809 58.200 0.129 0.000 1.038 378 S CB -0.419 62.827 63.200 0.076 0.000 0.872 378 S HN 0.740 nan 8.310 nan 0.000 0.456 379 I N 1.298 121.947 120.570 0.132 0.000 2.502 379 I HA -0.132 4.038 4.170 0.000 0.000 0.258 379 I C 1.613 177.800 176.117 0.116 0.000 1.172 379 I CA 1.362 62.726 61.300 0.107 0.000 1.430 379 I CB -0.208 37.837 38.000 0.075 0.000 1.086 379 I HN 0.222 nan 8.210 nan 0.000 0.440 380 M N -1.603 118.097 119.600 0.167 0.000 2.502 380 M HA 0.057 4.538 4.480 0.000 0.000 0.243 380 M C 1.398 177.690 176.300 -0.013 0.000 1.130 380 M CA 0.921 56.276 55.300 0.092 0.000 1.055 380 M CB -0.949 31.713 32.600 0.104 0.000 1.457 380 M HN 0.299 nan 8.290 nan 0.000 0.488 381 H N -0.428 118.722 119.070 0.134 0.000 2.408 381 H HA 0.247 4.803 4.556 0.000 0.000 0.271 381 H C 0.078 175.533 175.328 0.212 0.000 0.957 381 H CA 0.029 56.176 56.048 0.165 0.000 1.170 381 H CB 0.307 30.141 29.762 0.120 0.000 1.458 381 H HN 0.266 nan 8.280 nan 0.000 0.491 382 E N 2.039 122.412 120.200 0.288 0.000 2.344 382 E HA 0.030 4.380 4.350 0.000 0.000 0.270 382 E C -0.175 176.537 176.600 0.187 0.000 1.021 382 E CA -0.151 56.395 56.400 0.243 0.000 0.887 382 E CB 1.195 30.991 29.700 0.162 0.000 0.997 382 E HN 0.328 nan 8.360 nan 0.000 0.429 383 E N 2.261 122.564 120.200 0.171 0.000 2.376 383 E HA -0.027 4.323 4.350 0.000 0.000 0.266 383 E C -0.028 176.625 176.600 0.088 0.000 1.009 383 E CA 0.062 56.479 56.400 0.028 0.000 0.902 383 E CB 0.721 30.316 29.700 -0.176 0.000 0.972 383 E HN 0.435 nan 8.360 nan 0.000 0.439 384 T N 4.271 118.887 114.554 0.103 0.000 2.901 384 T HA -0.049 4.301 4.350 0.000 0.000 0.252 384 T C 0.170 174.988 174.700 0.197 0.000 1.035 384 T CA 0.149 62.307 62.100 0.097 0.000 1.142 384 T CB -0.195 68.697 68.868 0.040 0.000 0.869 384 T HN 0.657 nan 8.240 nan 0.000 0.442 385 F N 1.363 121.302 119.950 -0.020 0.000 3.040 385 F HA -0.038 4.489 4.527 0.001 0.000 0.298 385 F C 0.575 176.378 175.800 0.004 0.000 0.948 385 F CA 0.608 58.618 58.000 0.016 0.000 1.022 385 F CB -1.199 37.838 39.000 0.061 0.000 1.023 385 F HN 0.350 nan 8.300 nan 0.000 0.742 386 G N -0.164 108.621 108.800 -0.024 0.000 2.660 386 G HA2 0.599 4.559 3.960 0.000 0.000 0.290 386 G HA3 0.599 4.559 3.960 0.000 0.000 0.290 386 G C -2.965 171.901 174.900 -0.057 0.000 1.432 386 G CA -0.697 44.355 45.100 -0.080 0.000 0.807 386 G HN -0.161 nan 8.290 nan 0.000 0.485 387 P HA 0.190 nan 4.420 nan 0.000 0.246 387 P C -0.181 177.147 177.300 0.045 0.000 1.686 387 P CA -0.046 63.065 63.100 0.018 0.000 0.867 387 P CB 0.106 31.826 31.700 0.033 0.000 1.733 388 V N 1.344 121.270 119.914 0.020 0.000 2.394 388 V HA 0.296 4.416 4.120 0.000 0.000 0.282 388 V C 0.498 176.605 176.094 0.022 0.000 1.031 388 V CA -0.575 61.747 62.300 0.037 0.000 0.881 388 V CB 2.247 34.076 31.823 0.011 0.000 0.982 388 V HN 0.168 nan 8.190 nan 0.000 0.451 389 L N 7.738 128.976 121.223 0.024 0.000 2.377 389 L HA 0.494 4.834 4.340 0.000 0.000 0.270 389 L C -2.431 174.444 176.870 0.010 0.000 0.991 389 L CA -1.558 53.289 54.840 0.012 0.000 0.851 389 L CB 2.908 44.970 42.059 0.006 0.000 1.218 389 L HN 0.473 nan 8.230 nan 0.000 0.420 390 P HA 0.272 nan 4.420 nan 0.000 0.282 390 P C -1.112 176.166 177.300 -0.036 0.000 1.249 390 P CA -0.375 62.721 63.100 -0.005 0.000 0.806 390 P CB 2.549 34.244 31.700 -0.008 0.000 0.984 391 V N 3.047 122.959 119.914 -0.004 0.000 2.638 391 V HA 0.354 4.474 4.120 0.000 0.000 0.306 391 V C 0.055 176.181 176.094 0.054 0.000 1.052 391 V CA -0.695 61.611 62.300 0.009 0.000 0.885 391 V CB 2.337 34.204 31.823 0.074 0.000 0.999 391 V HN 0.294 nan 8.190 nan 0.000 0.424 392 V N 3.220 123.131 119.914 -0.005 0.000 2.680 392 V HA 0.842 4.962 4.120 0.000 0.000 0.309 392 V C 0.286 176.531 176.094 0.253 0.000 1.052 392 V CA -0.583 61.776 62.300 0.099 0.000 0.908 392 V CB 2.060 33.904 31.823 0.036 0.000 1.001 392 V HN 1.017 nan 8.190 nan 0.000 0.431 393 A N 4.334 127.288 122.820 0.223 0.000 2.304 393 A HA 0.981 5.301 4.320 0.000 0.000 0.301 393 A C -0.813 176.904 177.584 0.222 0.000 1.132 393 A CA -0.274 51.858 52.037 0.160 0.000 0.819 393 A CB 0.713 19.652 19.000 -0.101 0.000 1.094 393 A HN 1.144 nan 8.150 nan 0.000 0.492 394 F N -0.792 119.222 119.950 0.108 0.000 2.643 394 F HA 0.627 5.154 4.527 0.000 0.000 0.314 394 F C -0.178 175.648 175.800 0.044 0.000 1.096 394 F CA -1.097 56.951 58.000 0.080 0.000 0.953 394 F CB 0.948 40.007 39.000 0.098 0.000 1.345 394 F HN 0.429 nan 8.300 nan 0.000 0.468 395 D N 0.077 120.628 120.400 0.252 0.000 2.355 395 D HA 0.056 4.696 4.640 0.000 0.000 0.233 395 D C 0.746 177.194 176.300 0.246 0.000 0.997 395 D CA 1.814 55.886 54.000 0.119 0.000 0.920 395 D CB -0.009 40.847 40.800 0.094 0.000 1.063 395 D HN 0.689 nan 8.370 nan 0.000 0.465 396 T N -1.576 113.179 114.554 0.335 0.000 2.948 396 T HA 0.342 4.692 4.350 0.000 0.000 0.285 396 T C 1.344 176.184 174.700 0.234 0.000 1.019 396 T CA -0.806 61.448 62.100 0.257 0.000 1.013 396 T CB 1.896 70.832 68.868 0.113 0.000 1.117 396 T HN -0.092 nan 8.240 nan 0.000 0.533 397 L N 0.378 121.671 121.223 0.117 0.000 2.012 397 L HA -0.120 4.220 4.340 0.000 0.000 0.210 397 L C 2.595 179.371 176.870 -0.158 0.000 1.073 397 L CA 1.965 56.775 54.840 -0.050 0.000 0.748 397 L CB -0.612 41.438 42.059 -0.016 0.000 0.891 397 L HN 0.781 nan 8.230 nan 0.000 0.431 398 E N 0.319 120.475 120.200 -0.072 0.000 2.114 398 E HA -0.290 4.060 4.350 0.000 0.000 0.199 398 E C 1.933 178.458 176.600 -0.125 0.000 1.008 398 E CA 1.730 58.082 56.400 -0.079 0.000 0.810 398 E CB -0.197 29.485 29.700 -0.030 0.000 0.739 398 E HN 0.519 nan 8.360 nan 0.000 0.456 399 E N -0.010 120.121 120.200 -0.114 0.000 2.047 399 E HA -0.076 4.274 4.350 0.000 0.000 0.191 399 E C 1.988 178.378 176.600 -0.350 0.000 0.987 399 E CA 1.211 57.531 56.400 -0.133 0.000 0.799 399 E CB -0.286 29.424 29.700 0.018 0.000 0.752 399 E HN 0.298 nan 8.360 nan 0.000 0.449 400 A N 1.130 123.535 122.820 -0.691 0.000 1.883 400 A HA -0.209 4.111 4.320 0.000 0.000 0.217 400 A C 2.093 179.279 177.584 -0.664 0.000 1.186 400 A CA 1.351 52.779 52.037 -1.014 0.000 0.624 400 A CB -0.613 17.454 19.000 -1.556 0.000 0.822 400 A HN 0.151 nan 8.150 nan 0.000 0.444 401 I N -0.242 120.069 120.570 -0.432 0.000 2.142 401 I HA -0.181 3.989 4.170 0.000 0.000 0.240 401 I C 2.761 178.746 176.117 -0.219 0.000 1.078 401 I CA 1.921 63.056 61.300 -0.275 0.000 1.343 401 I CB -1.611 36.284 38.000 -0.174 0.000 1.046 401 I HN 0.417 nan 8.210 nan 0.000 0.405 402 S N 0.533 116.117 115.700 -0.194 0.000 2.365 402 S HA -0.204 4.267 4.470 0.000 0.000 0.225 402 S C 2.120 176.634 174.600 -0.143 0.000 1.039 402 S CA 1.542 59.666 58.200 -0.126 0.000 1.033 402 S CB -0.116 63.030 63.200 -0.090 0.000 0.887 402 S HN 0.338 nan 8.310 nan 0.000 0.447 403 M N 0.619 120.060 119.600 -0.265 0.000 2.200 403 M HA 0.014 4.494 4.480 0.000 0.000 0.265 403 M C 2.501 178.614 176.300 -0.311 0.000 1.066 403 M CA 1.248 56.378 55.300 -0.284 0.000 1.127 403 M CB -0.544 31.800 32.600 -0.426 0.000 1.379 403 M HN 0.482 nan 8.290 nan 0.000 0.420 404 A N 0.993 123.544 122.820 -0.447 0.000 1.902 404 A HA -0.156 4.164 4.320 0.000 0.000 0.217 404 A C 1.819 179.490 177.584 0.144 0.000 1.181 404 A CA 1.718 53.639 52.037 -0.194 0.000 0.623 404 A CB -0.716 18.121 19.000 -0.272 0.000 0.818 404 A HN 0.461 nan 8.150 nan 0.000 0.443 405 N N 0.354 119.101 118.700 0.079 0.000 2.459 405 N HA -0.077 4.663 4.740 0.000 0.000 0.181 405 N C 0.077 175.603 175.510 0.028 0.000 1.046 405 N CA 0.796 53.892 53.050 0.077 0.000 0.904 405 N CB -0.295 38.200 38.487 0.013 0.000 0.964 405 N HN 0.458 nan 8.380 nan 0.000 0.444 406 D N 0.812 121.229 120.400 0.029 0.000 2.600 406 D HA 0.104 4.744 4.640 0.000 0.000 0.226 406 D C -0.796 175.539 176.300 0.059 0.000 1.119 406 D CA 0.125 54.159 54.000 0.057 0.000 1.051 406 D CB -0.302 40.547 40.800 0.082 0.000 1.106 406 D HN -0.081 nan 8.370 nan 0.000 0.491 407 S N 1.422 117.159 115.700 0.061 0.000 2.552 407 S HA 0.198 4.668 4.470 0.000 0.000 0.272 407 S C 0.011 174.620 174.600 0.015 0.000 1.150 407 S CA -0.770 57.478 58.200 0.081 0.000 0.849 407 S CB 1.291 64.578 63.200 0.144 0.000 1.113 407 S HN 0.097 nan 8.310 nan 0.000 0.458 408 D N 0.916 121.290 120.400 -0.044 0.000 2.347 408 D HA 0.147 4.788 4.640 0.000 0.000 0.213 408 D C -0.385 175.749 176.300 -0.277 0.000 0.985 408 D CA 0.923 54.802 54.000 -0.201 0.000 0.879 408 D CB 0.111 40.717 40.800 -0.324 0.000 0.919 408 D HN 0.505 nan 8.370 nan 0.000 0.526 409 Y N -0.634 119.671 120.300 0.008 0.000 2.387 409 Y HA 0.517 5.067 4.550 0.000 0.000 0.330 409 Y C 1.334 177.172 175.900 -0.103 0.000 1.133 409 Y CA -0.645 57.458 58.100 0.006 0.000 1.152 409 Y CB 2.278 40.785 38.460 0.077 0.000 1.215 409 Y HN -0.208 nan 8.280 nan 0.000 0.466 410 G N 2.117 110.926 108.800 0.014 0.000 5.252 410 G HA2 0.160 4.120 3.960 0.000 0.000 0.214 410 G HA3 0.160 4.120 3.960 0.000 0.000 0.214 410 G C -0.053 174.788 174.900 -0.099 0.000 0.817 410 G CA -0.167 44.645 45.100 -0.480 0.000 0.715 410 G HN 0.607 nan 8.290 nan 0.000 0.480 411 L N 0.184 121.518 121.223 0.185 0.000 2.062 411 L HA 0.495 4.835 4.340 0.000 0.000 0.202 411 L C 0.801 177.786 176.870 0.191 0.000 1.079 411 L CA 1.820 56.732 54.840 0.120 0.000 0.755 411 L CB 0.092 42.194 42.059 0.071 0.000 0.913 411 L HN 0.072 nan 8.230 nan 0.000 0.445 412 T N -0.251 114.472 114.554 0.282 0.000 2.907 412 T HA 0.672 5.022 4.350 0.000 0.000 0.292 412 T C -0.835 173.794 174.700 -0.119 0.000 1.043 412 T CA -0.152 62.048 62.100 0.167 0.000 1.003 412 T CB 1.700 70.710 68.868 0.237 0.000 1.084 412 T HN 0.463 nan 8.240 nan 0.000 0.483 413 S N 0.478 116.017 115.700 -0.268 0.000 2.570 413 S HA 0.886 5.356 4.470 0.000 0.000 0.270 413 S C -1.037 173.438 174.600 -0.209 0.000 1.149 413 S CA -0.819 57.054 58.200 -0.545 0.000 0.837 413 S CB 1.827 64.345 63.200 -1.136 0.000 1.124 413 S HN 1.077 nan 8.310 nan 0.000 0.465 414 S N 1.007 116.589 115.700 -0.196 0.000 2.556 414 S HA 0.840 5.310 4.470 0.000 0.000 0.271 414 S C -1.126 173.322 174.600 -0.254 0.000 1.135 414 S CA -0.819 57.278 58.200 -0.172 0.000 0.858 414 S CB 1.450 64.613 63.200 -0.062 0.000 1.114 414 S HN 1.442 nan 8.310 nan 0.000 0.468 415 I N 1.194 121.483 120.570 -0.470 0.000 2.775 415 I HA 0.581 4.752 4.170 0.000 0.000 0.295 415 I C -2.304 173.433 176.117 -0.634 0.000 1.287 415 I CA -0.926 60.157 61.300 -0.361 0.000 1.029 415 I CB 1.735 39.614 38.000 -0.202 0.000 1.282 415 I HN 0.873 nan 8.210 nan 0.000 0.426 416 Y N 5.194 125.482 120.300 -0.020 0.000 2.328 416 Y HA 0.718 5.268 4.550 0.000 0.000 0.333 416 Y C 0.224 176.121 175.900 -0.005 0.000 0.958 416 Y CA -0.586 57.507 58.100 -0.011 0.000 1.167 416 Y CB 1.989 40.442 38.460 -0.012 0.000 1.151 416 Y HN 0.505 nan 8.280 nan 0.000 0.470 417 T N 1.356 115.957 114.554 0.079 0.000 2.718 417 T HA 0.313 4.663 4.350 0.000 0.000 0.306 417 T C -0.465 174.260 174.700 0.042 0.000 1.485 417 T CA -0.476 61.659 62.100 0.058 0.000 0.997 417 T CB 1.651 70.537 68.868 0.030 0.000 1.504 417 T HN 0.724 nan 8.240 nan 0.000 0.497 418 Q N 0.602 120.424 119.800 0.036 0.000 2.140 418 Q HA 0.264 4.604 4.340 0.000 0.000 0.227 418 Q C -0.025 175.987 176.000 0.019 0.000 0.798 418 Q CA -0.334 55.486 55.803 0.028 0.000 0.987 418 Q CB 0.653 29.410 28.738 0.032 0.000 1.161 418 Q HN 0.461 nan 8.270 nan 0.000 0.480 419 N N 1.482 120.193 118.700 0.018 0.000 2.426 419 N HA 0.140 4.881 4.740 0.000 0.000 0.275 419 N C 0.687 176.201 175.510 0.006 0.000 1.019 419 N CA -0.000 53.058 53.050 0.014 0.000 0.941 419 N CB 1.323 39.821 38.487 0.018 0.000 1.123 419 N HN 0.216 nan 8.380 nan 0.000 0.486 420 L N 3.900 125.126 121.223 0.005 0.000 1.971 420 L HA -0.265 4.075 4.340 0.000 0.000 0.215 420 L C 1.944 178.813 176.870 -0.002 0.000 1.072 420 L CA 1.703 56.543 54.840 0.001 0.000 0.758 420 L CB -0.384 41.676 42.059 0.003 0.000 0.889 420 L HN 0.664 nan 8.230 nan 0.000 0.433 421 N N -0.743 117.958 118.700 0.001 0.000 2.104 421 N HA -0.184 4.556 4.740 0.000 0.000 0.190 421 N C 1.637 177.144 175.510 -0.006 0.000 1.024 421 N CA 1.649 54.699 53.050 -0.001 0.000 0.853 421 N CB -0.138 38.351 38.487 0.003 0.000 1.008 421 N HN 0.151 nan 8.380 nan 0.000 0.424 422 V N 0.647 120.559 119.914 -0.002 0.000 2.332 422 V HA -0.230 3.891 4.120 0.000 0.000 0.248 422 V C 2.371 178.451 176.094 -0.024 0.000 1.055 422 V CA 1.885 64.182 62.300 -0.006 0.000 1.038 422 V CB -1.234 30.594 31.823 0.009 0.000 0.651 422 V HN 0.486 nan 8.190 nan 0.000 0.450 423 A N -0.186 122.620 122.820 -0.024 0.000 1.851 423 A HA -0.246 4.075 4.320 0.000 0.000 0.216 423 A C 2.201 179.761 177.584 -0.040 0.000 1.195 423 A CA 2.306 54.319 52.037 -0.039 0.000 0.622 423 A CB -0.566 18.415 19.000 -0.032 0.000 0.831 423 A HN 0.404 nan 8.150 nan 0.000 0.444 424 M N -0.118 119.466 119.600 -0.026 0.000 2.149 424 M HA -0.116 4.364 4.480 0.000 0.000 0.261 424 M C 1.878 178.164 176.300 -0.024 0.000 1.064 424 M CA 1.512 56.799 55.300 -0.022 0.000 1.102 424 M CB -1.284 31.309 32.600 -0.012 0.000 1.369 424 M HN 0.411 nan 8.290 nan 0.000 0.408 425 K N -0.237 120.147 120.400 -0.026 0.000 2.103 425 K HA 0.012 4.332 4.320 0.000 0.000 0.204 425 K C 2.118 178.691 176.600 -0.046 0.000 1.052 425 K CA 1.243 57.513 56.287 -0.029 0.000 0.945 425 K CB -0.152 32.332 32.500 -0.025 0.000 0.722 425 K HN 0.295 nan 8.250 nan 0.000 0.443 426 A N 1.576 124.359 122.820 -0.060 0.000 1.898 426 A HA -0.124 4.196 4.320 0.000 0.000 0.216 426 A C 2.093 179.626 177.584 -0.084 0.000 1.181 426 A CA 1.105 53.089 52.037 -0.088 0.000 0.620 426 A CB -0.526 18.410 19.000 -0.106 0.000 0.819 426 A HN 0.138 nan 8.150 nan 0.000 0.442 427 I N -0.455 120.073 120.570 -0.070 0.000 2.127 427 I HA -0.316 3.854 4.170 0.000 0.000 0.241 427 I C 2.605 178.699 176.117 -0.039 0.000 1.075 427 I CA 2.139 63.403 61.300 -0.061 0.000 1.334 427 I CB -0.261 37.713 38.000 -0.044 0.000 1.040 427 I HN 0.386 nan 8.210 nan 0.000 0.405 428 K N 0.829 121.216 120.400 -0.023 0.000 2.097 428 K HA -0.128 4.192 4.320 0.000 0.000 0.205 428 K C 2.028 178.626 176.600 -0.003 0.000 1.050 428 K CA 1.552 57.838 56.287 -0.002 0.000 0.938 428 K CB -0.263 32.238 32.500 0.000 0.000 0.718 428 K HN 0.384 nan 8.250 nan 0.000 0.442 429 G N 0.601 109.386 108.800 -0.025 0.000 2.430 429 G HA2 -0.042 3.918 3.960 0.000 0.000 0.216 429 G HA3 -0.042 3.918 3.960 0.000 0.000 0.216 429 G C 0.173 175.055 174.900 -0.030 0.000 1.146 429 G CA -0.144 44.941 45.100 -0.027 0.000 0.793 429 G HN 0.106 nan 8.290 nan 0.000 0.537 430 L N 1.601 122.796 121.223 -0.047 0.000 2.530 430 L HA 0.184 4.524 4.340 0.000 0.000 0.273 430 L C 0.463 177.286 176.870 -0.077 0.000 1.141 430 L CA 0.094 54.930 54.840 -0.006 0.000 0.905 430 L CB 0.653 42.669 42.059 -0.071 0.000 1.202 430 L HN 0.095 nan 8.230 nan 0.000 0.473 431 K N 5.327 125.649 120.400 -0.130 0.000 2.307 431 K HA 0.298 4.618 4.320 0.000 0.000 0.240 431 K C -0.947 174.806 176.600 -1.412 0.000 1.214 431 K CA 0.047 55.940 56.287 -0.657 0.000 1.149 431 K CB -0.060 32.317 32.500 -0.204 0.000 1.668 431 K HN 0.219 nan 8.250 nan 0.000 0.314 432 F N -1.687 117.368 119.950 -1.491 0.000 2.629 432 F HA 0.307 4.834 4.527 0.000 0.000 0.316 432 F C 1.439 176.440 175.800 -1.331 0.000 1.081 432 F CA -1.042 56.195 58.000 -1.271 0.000 0.954 432 F CB 1.516 40.182 39.000 -0.557 0.000 1.337 432 F HN 0.224 nan 8.300 nan 0.000 0.474 433 G N -0.274 108.169 108.800 -0.595 0.000 2.572 433 G HA2 0.121 4.081 3.960 0.000 0.000 0.216 433 G HA3 0.121 4.081 3.960 0.000 0.000 0.216 433 G C -0.136 174.749 174.900 -0.026 0.000 1.133 433 G CA 0.356 45.436 45.100 -0.033 0.000 0.791 433 G HN 0.530 nan 8.290 nan 0.000 0.538 434 E N -0.828 119.329 120.200 -0.072 0.000 2.308 434 E HA 0.480 4.830 4.350 0.000 0.000 0.275 434 E C -1.530 174.941 176.600 -0.215 0.000 0.890 434 E CA -0.478 55.835 56.400 -0.144 0.000 0.754 434 E CB 2.289 31.931 29.700 -0.096 0.000 1.207 434 E HN -0.039 nan 8.360 nan 0.000 0.426 435 T N 2.098 116.448 114.554 -0.339 0.000 2.965 435 T HA 0.318 4.668 4.350 0.000 0.000 0.306 435 T C -1.357 173.110 174.700 -0.388 0.000 0.991 435 T CA -0.608 61.311 62.100 -0.301 0.000 1.001 435 T CB 0.173 68.907 68.868 -0.223 0.000 0.984 435 T HN 0.237 nan 8.240 nan 0.000 0.446 436 Y N 2.470 122.672 120.300 -0.164 0.000 2.308 436 Y HA 0.603 5.153 4.550 0.000 0.000 0.329 436 Y C 0.511 176.244 175.900 -0.279 0.000 1.111 436 Y CA -1.097 56.900 58.100 -0.172 0.000 1.179 436 Y CB 0.907 39.273 38.460 -0.157 0.000 1.201 436 Y HN 0.491 nan 8.280 nan 0.000 0.483 437 I N 3.471 123.978 120.570 -0.105 0.000 2.420 437 I HA 0.223 4.394 4.170 0.000 0.000 0.282 437 I C -0.517 175.503 176.117 -0.162 0.000 1.019 437 I CA -0.596 60.580 61.300 -0.206 0.000 1.130 437 I CB 0.836 38.756 38.000 -0.133 0.000 1.262 437 I HN 0.815 nan 8.210 nan 0.000 0.454 438 N N 5.035 123.558 118.700 -0.295 0.000 2.783 438 N HA -0.213 4.527 4.740 0.000 0.000 0.247 438 N C -0.572 174.995 175.510 0.095 0.000 1.089 438 N CA 0.365 53.417 53.050 0.005 0.000 0.690 438 N CB -0.581 37.933 38.487 0.045 0.000 0.991 438 N HN 0.744 nan 8.380 nan 0.000 0.552 439 R N -1.357 119.197 120.500 0.090 0.000 2.774 439 R HA 0.270 4.610 4.340 0.000 0.000 0.279 439 R C -1.254 175.012 176.300 -0.056 0.000 1.022 439 R CA -1.217 54.912 56.100 0.048 0.000 0.855 439 R CB 0.739 31.048 30.300 0.015 0.000 1.279 439 R HN 0.012 nan 8.270 nan 0.000 0.485 440 E N 1.420 121.451 120.200 -0.282 0.000 2.392 440 E HA 0.075 4.425 4.350 0.000 0.000 0.259 440 E C -0.811 175.190 176.600 -0.998 0.000 1.108 440 E CA -0.549 55.492 56.400 -0.598 0.000 0.916 440 E CB 0.355 29.508 29.700 -0.913 0.000 0.989 440 E HN 0.547 nan 8.360 nan 0.000 0.432 441 N N 2.369 120.451 118.700 -1.030 0.000 2.971 441 N HA 0.124 4.864 4.740 0.000 0.000 0.294 441 N C -1.112 174.060 175.510 -0.565 0.000 1.210 441 N CA 0.298 52.540 53.050 -1.347 0.000 1.157 441 N CB -0.836 37.336 38.487 -0.524 0.000 1.450 441 N HN 0.315 nan 8.380 nan 0.000 0.527 442 F N 0.493 120.051 119.950 -0.654 0.000 2.434 442 F HA 0.215 4.742 4.527 0.000 0.000 0.355 442 F C 0.397 176.184 175.800 -0.023 0.000 1.115 442 F CA -1.343 56.494 58.000 -0.273 0.000 1.010 442 F CB 1.283 40.136 39.000 -0.245 0.000 1.234 442 F HN -0.025 nan 8.300 nan 0.000 0.439 443 E N 1.916 122.243 120.200 0.212 0.000 2.415 443 E HA 0.329 4.679 4.350 0.000 0.000 0.262 443 E C -0.146 176.536 176.600 0.137 0.000 1.038 443 E CA -0.254 56.290 56.400 0.240 0.000 0.921 443 E CB 0.646 30.439 29.700 0.155 0.000 0.950 443 E HN 0.572 nan 8.360 nan 0.000 0.438 444 A N 2.662 125.606 122.820 0.206 0.000 2.293 444 A HA 0.325 4.645 4.320 0.000 0.000 0.302 444 A C 0.964 178.712 177.584 0.274 0.000 1.119 444 A CA -0.659 51.496 52.037 0.195 0.000 0.823 444 A CB 0.227 19.324 19.000 0.161 0.000 1.097 444 A HN 0.910 nan 8.150 nan 0.000 0.491 445 M N 0.923 120.707 119.600 0.307 0.000 2.374 445 M HA -0.112 4.368 4.480 0.000 0.000 0.264 445 M C 1.335 177.660 176.300 0.041 0.000 1.067 445 M CA 1.753 57.236 55.300 0.305 0.000 1.103 445 M CB -0.324 32.297 32.600 0.035 0.000 1.402 445 M HN 0.741 nan 8.290 nan 0.000 0.444 446 Q N 1.435 121.218 119.800 -0.029 0.000 2.246 446 Q HA 0.342 4.682 4.340 0.000 0.000 0.202 446 Q C 0.546 176.714 176.000 0.280 0.000 0.883 446 Q CA 0.438 56.308 55.803 0.110 0.000 0.952 446 Q CB 0.014 28.778 28.738 0.044 0.000 1.078 446 Q HN 0.478 nan 8.270 nan 0.000 0.493 447 G N 0.856 109.841 108.800 0.308 0.000 2.606 447 G HA2 0.447 4.407 3.960 0.000 0.000 0.262 447 G HA3 0.447 4.407 3.960 0.000 0.000 0.262 447 G C -1.421 173.783 174.900 0.507 0.000 1.394 447 G CA -0.568 44.739 45.100 0.344 0.000 1.044 447 G HN 0.216 nan 8.290 nan 0.000 0.553 448 F N 0.273 120.379 119.950 0.261 0.000 2.771 448 F HA 0.378 4.906 4.527 0.000 0.000 0.365 448 F C -0.590 175.372 175.800 0.270 0.000 1.169 448 F CA -1.499 56.665 58.000 0.273 0.000 1.093 448 F CB 1.113 40.234 39.000 0.201 0.000 1.363 448 F HN 0.461 nan 8.300 nan 0.000 0.496 449 H N 4.653 123.749 119.070 0.043 0.000 3.092 449 H HA 0.654 5.210 4.556 0.000 0.000 0.263 449 H C -0.916 174.233 175.328 -0.298 0.000 1.611 449 H CA 0.170 56.190 56.048 -0.046 0.000 1.457 449 H CB -0.025 29.801 29.762 0.106 0.000 1.731 449 H HN 0.576 nan 8.280 nan 0.000 0.532 450 A N 3.714 126.180 122.820 -0.590 0.000 2.375 450 A HA 0.580 4.900 4.320 0.000 0.000 0.291 450 A C 0.396 177.848 177.584 -0.220 0.000 1.160 450 A CA -0.269 51.427 52.037 -0.569 0.000 0.747 450 A CB 0.648 19.020 19.000 -1.046 0.000 1.170 450 A HN 0.741 nan 8.150 nan 0.000 0.458 451 G N 1.195 109.908 108.800 -0.145 0.000 2.415 451 G HA2 0.465 4.425 3.960 0.000 0.000 0.269 451 G HA3 0.465 4.425 3.960 0.000 0.000 0.269 451 G C -0.394 174.618 174.900 0.187 0.000 1.209 451 G CA -0.370 44.748 45.100 0.030 0.000 0.835 451 G HN 0.591 nan 8.290 nan 0.000 0.534 452 W N 0.635 121.852 121.300 -0.138 0.000 2.086 452 W HA 0.587 5.247 4.660 0.000 0.000 0.355 452 W C 1.396 177.830 176.519 -0.142 0.000 1.313 452 W CA -0.996 56.258 57.345 -0.152 0.000 1.358 452 W CB 0.142 29.472 29.460 -0.217 0.000 1.166 452 W HN 0.891 nan 8.180 nan 0.000 0.630 453 R N -0.003 120.553 120.500 0.094 0.000 3.726 453 R HA -0.345 3.995 4.340 0.000 0.000 0.510 453 R C 1.417 177.700 176.300 -0.028 0.000 0.241 453 R CA 2.050 58.148 56.100 -0.003 0.000 1.592 453 R CB -1.063 29.220 30.300 -0.027 0.000 0.955 453 R HN 0.486 nan 8.270 nan 0.000 0.585 454 K N 0.815 121.166 120.400 -0.081 0.000 2.515 454 K HA 0.007 4.327 4.320 0.000 0.000 0.196 454 K C 1.662 178.260 176.600 -0.003 0.000 1.038 454 K CA 1.005 57.230 56.287 -0.102 0.000 0.967 454 K CB 0.025 32.378 32.500 -0.246 0.000 0.780 454 K HN 0.266 nan 8.250 nan 0.000 0.483 455 S N 0.406 116.158 115.700 0.087 0.000 2.500 455 S HA -0.015 4.456 4.470 0.000 0.000 0.239 455 S C 0.809 175.457 174.600 0.080 0.000 0.989 455 S CA 0.754 59.066 58.200 0.188 0.000 0.951 455 S CB 0.143 63.453 63.200 0.182 0.000 0.759 455 S HN 0.632 nan 8.310 nan 0.000 0.523 456 G N -0.191 108.628 108.800 0.031 0.000 2.359 456 G HA2 0.327 4.287 3.960 0.000 0.000 0.293 456 G HA3 0.327 4.287 3.960 0.000 0.000 0.293 456 G C -1.975 172.909 174.900 -0.026 0.000 1.300 456 G CA -1.024 44.075 45.100 -0.001 0.000 0.888 456 G HN 0.144 nan 8.290 nan 0.000 0.541 457 I N 1.043 121.593 120.570 -0.033 0.000 2.534 457 I HA 0.609 4.780 4.170 0.000 0.000 0.288 457 I C 0.763 176.861 176.117 -0.032 0.000 1.077 457 I CA 0.379 61.654 61.300 -0.041 0.000 1.051 457 I CB 1.649 39.625 38.000 -0.039 0.000 1.234 457 I HN 2.008 nan 8.210 nan 0.000 0.425 458 G N 4.072 112.861 108.800 -0.018 0.000 2.642 458 G HA2 0.199 4.159 3.960 0.000 0.000 0.231 458 G HA3 0.199 4.159 3.960 0.000 0.000 0.231 458 G C -0.303 174.588 174.900 -0.016 0.000 1.338 458 G CA -0.277 44.847 45.100 0.039 0.000 0.883 458 G HN 1.220 nan 8.290 nan 0.000 0.570 459 G N -2.163 106.674 108.800 0.062 0.000 2.619 459 G HA2 0.998 4.958 3.960 0.000 0.000 0.305 459 G HA3 0.998 4.958 3.960 0.000 0.000 0.305 459 G C -0.590 174.425 174.900 0.191 0.000 1.330 459 G CA 0.934 45.952 45.100 -0.137 0.000 0.789 459 G HN 2.422 nan 8.290 nan 0.000 0.487 460 A N -0.709 122.242 122.820 0.218 0.000 2.527 460 A HA 0.921 5.241 4.320 0.000 0.000 0.293 460 A C -1.002 176.924 177.584 0.570 0.000 1.117 460 A CA 0.108 52.386 52.037 0.402 0.000 0.723 460 A CB 1.239 20.415 19.000 0.294 0.000 1.313 460 A HN 1.506 nan 8.150 nan 0.000 0.411 461 D N -1.196 119.584 120.400 0.633 0.000 10.757 461 D HA 0.299 4.939 4.640 0.000 0.000 0.352 461 D C 0.575 177.248 176.300 0.622 0.000 3.129 461 D CA 2.216 56.637 54.000 0.703 0.000 2.630 461 D CB -1.053 40.152 40.800 0.676 0.000 1.214 461 D HN 2.311 nan 8.370 nan 0.000 0.943 462 G N 0.249 109.414 108.800 0.609 0.000 2.682 462 G HA2 -0.381 3.579 3.960 0.000 0.000 0.256 462 G HA3 -0.381 3.579 3.960 0.000 0.000 0.256 462 G C 0.861 175.980 174.900 0.364 0.000 1.333 462 G CA 1.162 46.626 45.100 0.607 0.000 0.904 462 G HN 0.879 nan 8.290 nan 0.000 0.569 463 K N -0.808 119.696 120.400 0.173 0.000 2.057 463 K HA -0.119 4.201 4.320 0.000 0.000 0.207 463 K C 2.306 178.630 176.600 -0.460 0.000 1.049 463 K CA 2.142 58.145 56.287 -0.474 0.000 0.931 463 K CB -0.228 32.021 32.500 -0.418 0.000 0.714 463 K HN 0.693 nan 8.250 nan 0.000 0.440 464 H N -1.214 117.673 119.070 -0.305 0.000 2.462 464 H HA 0.035 4.591 4.556 0.000 0.000 0.292 464 H C 1.942 177.136 175.328 -0.222 0.000 1.049 464 H CA 1.172 56.874 56.048 -0.578 0.000 1.334 464 H CB -0.081 28.699 29.762 -1.637 0.000 1.404 464 H HN 0.406 nan 8.280 nan 0.000 0.544 465 G N 1.067 109.983 108.800 0.194 0.000 2.394 465 G HA2 -0.181 3.779 3.960 0.000 0.000 0.215 465 G HA3 -0.181 3.779 3.960 0.000 0.000 0.215 465 G C 1.649 176.689 174.900 0.233 0.000 1.165 465 G CA 0.341 45.698 45.100 0.428 0.000 0.784 465 G HN 0.283 nan 8.290 nan 0.000 0.535 466 L N 0.485 121.712 121.223 0.007 0.000 2.012 466 L HA -0.095 4.245 4.340 0.000 0.000 0.210 466 L C 2.323 179.057 176.870 -0.228 0.000 1.073 466 L CA 1.863 56.577 54.840 -0.211 0.000 0.748 466 L CB -1.008 40.604 42.059 -0.746 0.000 0.891 466 L HN 0.325 nan 8.230 nan 0.000 0.431 467 H N -0.180 118.741 119.070 -0.247 0.000 2.561 467 H HA -0.060 4.496 4.556 0.000 0.000 0.278 467 H C 1.817 177.087 175.328 -0.097 0.000 1.014 467 H CA 0.502 56.432 56.048 -0.196 0.000 1.211 467 H CB 0.465 30.086 29.762 -0.234 0.000 1.365 467 H HN 0.430 nan 8.280 nan 0.000 0.594 468 E N 0.374 120.597 120.200 0.037 0.000 2.204 468 E HA -0.122 4.228 4.350 0.000 0.000 0.194 468 E C 0.771 177.214 176.600 -0.262 0.000 0.989 468 E CA 0.693 57.049 56.400 -0.074 0.000 0.824 468 E CB -0.045 29.608 29.700 -0.078 0.000 0.756 468 E HN 0.587 nan 8.360 nan 0.000 0.477 469 Y N -0.482 119.782 120.300 -0.059 0.000 2.493 469 Y HA 0.149 4.699 4.550 0.000 0.000 0.275 469 Y C 0.235 176.063 175.900 -0.120 0.000 1.183 469 Y CA -0.226 57.829 58.100 -0.075 0.000 1.258 469 Y CB 0.609 39.022 38.460 -0.079 0.000 1.108 469 Y HN -0.103 nan 8.280 nan 0.000 0.521 470 L N 0.956 122.148 121.223 -0.052 0.000 2.362 470 L HA 0.444 4.784 4.340 0.000 0.000 0.271 470 L C -0.385 176.480 176.870 -0.007 0.000 1.002 470 L CA -1.135 53.658 54.840 -0.079 0.000 0.818 470 L CB 1.867 43.790 42.059 -0.227 0.000 1.298 470 L HN 0.211 nan 8.230 nan 0.000 0.420 471 Q N 0.352 120.164 119.800 0.020 0.000 2.587 471 Q HA 0.822 5.162 4.340 0.000 0.000 0.293 471 Q C -1.095 174.944 176.000 0.065 0.000 1.083 471 Q CA -0.896 54.929 55.803 0.037 0.000 0.792 471 Q CB 2.057 30.811 28.738 0.026 0.000 1.484 471 Q HN 0.585 nan 8.270 nan 0.000 0.446 472 T N -1.775 112.817 114.554 0.064 0.000 2.918 472 T HA 0.442 4.793 4.350 0.000 0.000 0.286 472 T C -0.612 174.142 174.700 0.091 0.000 1.026 472 T CA -0.781 61.369 62.100 0.083 0.000 1.031 472 T CB 1.664 70.568 68.868 0.060 0.000 1.046 472 T HN 0.663 nan 8.240 nan 0.000 0.479 473 Q N 2.099 121.978 119.800 0.132 0.000 2.397 473 Q HA 0.502 4.842 4.340 0.000 0.000 0.260 473 Q C -1.772 174.328 176.000 0.167 0.000 1.002 473 Q CA -0.737 55.153 55.803 0.145 0.000 0.716 473 Q CB 1.455 30.285 28.738 0.153 0.000 1.258 473 Q HN 0.659 nan 8.270 nan 0.000 0.477 474 V N 4.487 124.461 119.914 0.101 0.000 2.408 474 V HA 0.251 4.372 4.120 0.000 0.000 0.267 474 V C -0.066 176.049 176.094 0.036 0.000 1.047 474 V CA -0.408 61.897 62.300 0.008 0.000 0.937 474 V CB 1.279 33.079 31.823 -0.038 0.000 0.999 474 V HN 0.572 nan 8.190 nan 0.000 0.472 475 V N 6.303 126.224 119.914 0.012 0.000 2.370 475 V HA 0.350 4.471 4.120 0.000 0.000 0.279 475 V C -0.708 175.351 176.094 -0.058 0.000 1.029 475 V CA -0.644 61.709 62.300 0.088 0.000 0.870 475 V CB 1.118 33.078 31.823 0.229 0.000 0.984 475 V HN 0.733 nan 8.190 nan 0.000 0.451 476 Y N 5.061 125.394 120.300 0.055 0.000 2.700 476 Y HA 0.443 4.993 4.550 0.000 0.000 0.333 476 Y C 0.166 176.087 175.900 0.035 0.000 1.036 476 Y CA -0.336 57.785 58.100 0.034 0.000 1.287 476 Y CB 0.968 39.442 38.460 0.024 0.000 1.132 476 Y HN 0.462 nan 8.280 nan 0.000 0.510 477 L N 3.877 125.175 121.223 0.125 0.000 2.265 477 L HA 0.221 4.561 4.340 0.000 0.000 0.288 477 L C 0.634 177.551 176.870 0.080 0.000 1.058 477 L CA 0.001 54.897 54.840 0.094 0.000 0.809 477 L CB 1.130 43.230 42.059 0.068 0.000 1.179 477 L HN 0.685 nan 8.230 nan 0.000 0.429 478 Q N 1.914 121.757 119.800 0.071 0.000 2.481 478 Q HA 0.097 4.438 4.340 0.000 0.000 0.219 478 Q C 0.782 176.804 176.000 0.037 0.000 0.920 478 Q CA 0.904 56.739 55.803 0.053 0.000 0.915 478 Q CB 0.624 29.391 28.738 0.049 0.000 1.057 478 Q HN 0.939 nan 8.270 nan 0.000 0.581 479 S N 0.000 115.721 115.700 0.035 0.000 2.498 479 S HA 0.000 4.470 4.470 0.000 0.000 0.327 479 S CA 0.000 58.216 58.200 0.027 0.000 1.107 479 S CB 0.000 63.215 63.200 0.025 0.000 0.593 479 S HN 0.000 nan 8.310 nan 0.000 0.517