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 2df7_1_D DATA FIRST_RESID 11 DATA SEQUENCE IVPFIRSLLM PTTGPASIPD DTLEKHTLRS ETSTYNLTVG DTGSGLIVFF DATA SEQUENCE PGFPGSIVGA HYTLQSNGNY KFDQMLLTAQ NLPASYNYCR LVSRSLTVRS DATA SEQUENCE STLXXXXXXL NGTINAVTFQ GSLSELTDVS YNGLMSATAN INDKIGNVLV DATA SEQUENCE GEGVTVLSLP TSYDLGYVRL GDPIPAIGLD PKMVATCDSS DRPRVYTITA DATA SEQUENCE ADDYQFSSQY QSGGVTITLF SANIDAITSL SIGGELVFHT SVHGLALDAT DATA SEQUENCE IYLIGFDGTT VITRAVASDN GLTTGIDNLM PFNLVIPTNE ITQPITSIKL DATA SEQUENCE EIVTSKSGGQ AGDQMSWSAS GSLAVTIHGG NYPGALRPVT LVAYERVATG DATA SEQUENCE SVVTVAGVSN FELIPNPELA KNLVTEYGRF DPGAMNYTKL ILSERERLGI DATA SEQUENCE KTVWPTREYT DFREYFMEV 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 11 I HA 0.000 nan 4.170 nan 0.000 0.288 11 I C 0.000 176.064 176.117 -0.088 0.000 1.063 11 I CA 0.000 61.234 61.300 -0.109 0.000 1.566 11 I CB 0.000 37.954 38.000 -0.076 0.000 1.214 12 V N 10.260 130.100 119.914 -0.123 0.000 2.479 12 V HA 0.035 4.155 4.120 -0.000 0.000 0.284 12 V C -1.444 174.652 176.094 0.004 0.000 0.981 12 V CA -0.160 62.101 62.300 -0.064 0.000 1.139 12 V CB 0.055 31.835 31.823 -0.072 0.000 0.947 12 V HN 0.761 nan 8.190 nan 0.000 0.468 13 P HA -0.234 nan 4.420 nan 0.000 0.217 13 P C 1.644 178.973 177.300 0.048 0.000 1.158 13 P CA 1.451 64.571 63.100 0.033 0.000 0.887 13 P CB 0.010 31.741 31.700 0.051 0.000 0.792 14 F N 0.220 120.161 119.950 -0.014 0.000 2.095 14 F HA -0.213 4.314 4.527 -0.000 0.000 0.298 14 F C 1.979 177.784 175.800 0.007 0.000 1.104 14 F CA 1.472 59.463 58.000 -0.015 0.000 1.232 14 F CB -0.762 38.212 39.000 -0.043 0.000 0.987 14 F HN -0.228 nan 8.300 nan 0.000 0.475 15 I N 0.485 121.005 120.570 -0.082 0.000 2.226 15 I HA -0.285 3.885 4.170 -0.000 0.000 0.245 15 I C 2.553 178.571 176.117 -0.165 0.000 1.100 15 I CA 1.567 62.810 61.300 -0.095 0.000 1.374 15 I CB -1.504 36.601 38.000 0.175 0.000 1.057 15 I HN 0.233 nan 8.210 nan 0.000 0.413 16 R N 0.686 121.128 120.500 -0.097 0.000 2.073 16 R HA -0.177 4.163 4.340 -0.000 0.000 0.234 16 R C 2.625 178.840 176.300 -0.141 0.000 1.134 16 R CA 2.044 58.094 56.100 -0.083 0.000 0.952 16 R CB -0.227 30.051 30.300 -0.036 0.000 0.850 16 R HN 0.228 nan 8.270 nan 0.000 0.433 17 S N 0.250 115.835 115.700 -0.191 0.000 2.368 17 S HA -0.139 4.331 4.470 -0.000 0.000 0.225 17 S C 1.894 176.327 174.600 -0.278 0.000 1.030 17 S CA 1.275 59.353 58.200 -0.203 0.000 0.999 17 S CB -0.305 62.782 63.200 -0.188 0.000 0.844 17 S HN 0.374 nan 8.310 nan 0.000 0.459 18 L N 1.380 122.313 121.223 -0.482 0.000 2.017 18 L HA 0.086 4.426 4.340 -0.000 0.000 0.208 18 L C 2.021 178.776 176.870 -0.192 0.000 1.073 18 L CA 1.835 56.429 54.840 -0.411 0.000 0.745 18 L CB -0.490 41.222 42.059 -0.579 0.000 0.894 18 L HN 0.394 nan 8.230 nan 0.000 0.432 19 L N -1.453 119.669 121.223 -0.168 0.000 2.341 19 L HA 0.054 4.394 4.340 -0.000 0.000 0.214 19 L C 0.690 177.571 176.870 0.018 0.000 1.115 19 L CA 0.390 55.190 54.840 -0.067 0.000 0.820 19 L CB -0.104 41.864 42.059 -0.152 0.000 0.944 19 L HN 0.251 nan 8.230 nan 0.000 0.452 20 M N -0.686 118.892 119.600 -0.036 0.000 2.389 20 M HA 0.250 4.730 4.480 -0.000 0.000 0.206 20 M C -2.030 174.256 176.300 -0.023 0.000 0.976 20 M CA -1.305 54.006 55.300 0.018 0.000 0.648 20 M CB 1.492 34.073 32.600 -0.032 0.000 1.474 20 M HN -0.271 nan 8.290 nan 0.000 0.398 21 P HA -0.182 nan 4.420 nan 0.000 0.217 21 P C 1.379 178.654 177.300 -0.041 0.000 1.148 21 P CA 1.636 64.697 63.100 -0.065 0.000 0.828 21 P CB -0.132 31.513 31.700 -0.091 0.000 0.783 22 T N -4.542 109.999 114.554 -0.021 0.000 3.098 22 T HA -0.097 4.253 4.350 -0.000 0.000 0.266 22 T C 1.433 176.129 174.700 -0.006 0.000 1.145 22 T CA 1.541 63.635 62.100 -0.010 0.000 1.092 22 T CB -1.499 67.370 68.868 0.002 0.000 0.908 22 T HN 0.225 nan 8.240 nan 0.000 0.526 23 T N -1.922 112.624 114.554 -0.013 0.000 3.100 23 T HA 0.521 4.871 4.350 -0.000 0.000 0.253 23 T C 1.125 175.821 174.700 -0.006 0.000 1.118 23 T CA 0.092 62.185 62.100 -0.011 0.000 1.058 23 T CB -0.288 68.569 68.868 -0.019 0.000 0.953 23 T HN 1.045 nan 8.240 nan 0.000 0.515 24 G N 1.530 110.327 108.800 -0.006 0.000 2.381 24 G HA2 0.284 4.244 3.960 -0.000 0.000 0.672 24 G HA3 0.284 4.244 3.960 -0.000 0.000 0.672 24 G C -3.429 171.474 174.900 0.005 0.000 1.324 24 G CA -0.784 44.321 45.100 0.009 0.000 0.975 24 G HN 0.274 nan 8.290 nan 0.000 0.593 25 P HA 0.738 nan 4.420 nan 0.000 0.280 25 P C -0.298 177.049 177.300 0.078 0.000 1.272 25 P CA 0.248 63.379 63.100 0.051 0.000 0.819 25 P CB 1.780 33.531 31.700 0.085 0.000 1.122 26 A N -0.069 122.826 122.820 0.124 0.000 2.605 26 A HA 0.587 4.907 4.320 -0.000 0.000 0.294 26 A C -0.717 177.014 177.584 0.246 0.000 1.062 26 A CA -0.478 51.666 52.037 0.178 0.000 0.682 26 A CB 0.556 19.667 19.000 0.184 0.000 1.278 26 A HN 0.335 nan 8.150 nan 0.000 0.410 27 S N 0.685 116.520 115.700 0.225 0.000 2.565 27 S HA 0.440 4.910 4.470 -0.000 0.000 0.276 27 S C 0.326 174.931 174.600 0.010 0.000 1.326 27 S CA -0.285 58.017 58.200 0.171 0.000 1.045 27 S CB 0.182 63.530 63.200 0.248 0.000 0.918 27 S HN 0.461 nan 8.310 nan 0.000 0.505 28 I N 4.973 125.434 120.570 -0.182 0.000 2.587 28 I HA 0.111 4.281 4.170 -0.000 0.000 0.284 28 I C -1.525 174.251 176.117 -0.568 0.000 1.134 28 I CA -1.423 59.478 61.300 -0.665 0.000 1.410 28 I CB 0.321 38.028 38.000 -0.489 0.000 1.392 28 I HN 0.414 nan 8.210 nan 0.000 0.545 29 P HA 0.061 nan 4.420 nan 0.000 0.228 29 P C -0.946 176.163 177.300 -0.318 0.000 1.748 29 P CA -0.134 62.723 63.100 -0.406 0.000 0.909 29 P CB -0.377 31.102 31.700 -0.368 0.000 1.882 30 D N -0.801 119.438 120.400 -0.269 0.000 2.538 30 D HA 0.135 4.775 4.640 -0.000 0.000 0.262 30 D C 0.403 176.674 176.300 -0.049 0.000 1.186 30 D CA -0.331 53.580 54.000 -0.149 0.000 1.090 30 D CB -0.096 40.629 40.800 -0.125 0.000 1.187 30 D HN -0.192 nan 8.370 nan 0.000 0.614 31 D N -1.291 119.104 120.400 -0.009 0.000 2.363 31 D HA 0.066 4.706 4.640 -0.000 0.000 0.214 31 D C -0.046 176.283 176.300 0.047 0.000 1.093 31 D CA 0.244 54.257 54.000 0.021 0.000 0.837 31 D CB 0.180 40.992 40.800 0.020 0.000 0.948 31 D HN 0.238 nan 8.370 nan 0.000 0.507 32 T N 1.951 116.539 114.554 0.057 0.000 4.098 32 T HA 0.189 4.539 4.350 -0.000 0.000 0.291 32 T C 0.898 175.697 174.700 0.166 0.000 1.440 32 T CA -0.160 62.006 62.100 0.110 0.000 1.164 32 T CB -0.350 68.586 68.868 0.112 0.000 1.313 32 T HN 0.032 nan 8.240 nan 0.000 0.951 33 L N 3.411 124.732 121.223 0.163 0.000 2.536 33 L HA 0.208 4.548 4.340 -0.000 0.000 0.282 33 L C 0.805 177.886 176.870 0.353 0.000 1.174 33 L CA 0.315 55.314 54.840 0.265 0.000 0.989 33 L CB -0.109 42.051 42.059 0.169 0.000 1.311 33 L HN 0.386 nan 8.230 nan 0.000 0.455 34 E N 3.213 123.599 120.200 0.309 0.000 2.277 34 E HA 0.356 4.706 4.350 -0.000 0.000 0.266 34 E C -0.741 175.851 176.600 -0.014 0.000 0.901 34 E CA -1.018 55.425 56.400 0.071 0.000 0.782 34 E CB 2.561 32.126 29.700 -0.224 0.000 1.228 34 E HN 0.321 nan 8.360 nan 0.000 0.424 35 K N 3.136 123.304 120.400 -0.387 0.000 2.339 35 K HA 0.139 4.459 4.320 -0.000 0.000 0.286 35 K C 0.092 176.599 176.600 -0.156 0.000 1.050 35 K CA 0.020 56.011 56.287 -0.493 0.000 0.956 35 K CB 0.358 32.524 32.500 -0.556 0.000 0.990 35 K HN 0.552 nan 8.250 nan 0.000 0.475 36 H N -0.349 118.654 119.070 -0.113 0.000 2.947 36 H HA 0.453 5.009 4.556 -0.000 0.000 0.290 36 H C -1.185 174.173 175.328 0.050 0.000 1.430 36 H CA -0.725 55.328 56.048 0.008 0.000 1.189 36 H CB 1.864 31.718 29.762 0.152 0.000 1.875 36 H HN 0.443 nan 8.280 nan 0.000 0.568 37 T N 0.465 115.113 114.554 0.158 0.000 2.906 37 T HA 0.568 4.918 4.350 -0.000 0.000 0.295 37 T C -0.979 173.856 174.700 0.225 0.000 1.075 37 T CA -0.748 61.411 62.100 0.099 0.000 1.005 37 T CB 1.161 70.100 68.868 0.119 0.000 1.136 37 T HN 0.418 nan 8.240 nan 0.000 0.498 38 L N 3.929 125.254 121.223 0.169 0.000 2.307 38 L HA 0.731 5.071 4.340 -0.000 0.000 0.284 38 L C 0.130 177.080 176.870 0.133 0.000 1.023 38 L CA -0.986 53.964 54.840 0.184 0.000 0.810 38 L CB 1.278 43.442 42.059 0.175 0.000 1.231 38 L HN 0.421 nan 8.230 nan 0.000 0.423 39 R N 1.494 122.081 120.500 0.146 0.000 2.771 39 R HA 0.609 4.949 4.340 -0.000 0.000 0.274 39 R C -1.353 175.071 176.300 0.207 0.000 0.987 39 R CA -0.886 55.298 56.100 0.140 0.000 0.908 39 R CB 2.365 32.702 30.300 0.060 0.000 1.213 39 R HN 0.468 nan 8.270 nan 0.000 0.468 40 S N 1.309 117.109 115.700 0.167 0.000 2.502 40 S HA 0.451 4.921 4.470 -0.000 0.000 0.304 40 S C -0.869 173.842 174.600 0.185 0.000 1.097 40 S CA -0.760 57.538 58.200 0.164 0.000 1.045 40 S CB 1.919 65.174 63.200 0.092 0.000 1.019 40 S HN 0.237 nan 8.310 nan 0.000 0.481 41 E N 2.586 122.934 120.200 0.247 0.000 2.199 41 E HA 0.349 4.699 4.350 -0.000 0.000 0.265 41 E C -0.168 176.532 176.600 0.165 0.000 0.882 41 E CA -0.463 56.070 56.400 0.222 0.000 0.759 41 E CB 1.885 31.778 29.700 0.321 0.000 1.148 41 E HN 0.716 nan 8.360 nan 0.000 0.412 42 T N -0.528 114.094 114.554 0.112 0.000 2.874 42 T HA 0.557 4.907 4.350 -0.000 0.000 0.281 42 T C 0.293 175.054 174.700 0.102 0.000 0.994 42 T CA -0.606 61.544 62.100 0.083 0.000 1.015 42 T CB 1.047 69.942 68.868 0.046 0.000 1.028 42 T HN 0.107 nan 8.240 nan 0.000 0.523 43 S N 1.008 116.768 115.700 0.100 0.000 2.594 43 S HA 0.699 5.169 4.470 -0.000 0.000 0.296 43 S C -0.533 174.123 174.600 0.092 0.000 1.124 43 S CA -0.891 57.406 58.200 0.162 0.000 1.011 43 S CB 1.552 64.909 63.200 0.261 0.000 1.016 43 S HN 1.127 nan 8.310 nan 0.000 0.485 44 T N 1.170 115.679 114.554 -0.075 0.000 2.937 44 T HA 0.746 5.096 4.350 -0.000 0.000 0.297 44 T C -1.438 172.976 174.700 -0.476 0.000 0.991 44 T CA -0.501 61.511 62.100 -0.147 0.000 0.990 44 T CB 0.560 69.345 68.868 -0.138 0.000 0.991 44 T HN 0.404 nan 8.240 nan 0.000 0.440 45 Y N 1.260 121.561 120.300 0.001 0.000 2.534 45 Y HA 0.596 5.146 4.550 -0.000 0.000 0.345 45 Y C -0.258 175.617 175.900 -0.043 0.000 1.031 45 Y CA -1.270 56.819 58.100 -0.019 0.000 1.022 45 Y CB 2.471 40.915 38.460 -0.026 0.000 1.292 45 Y HN 0.604 nan 8.280 nan 0.000 0.459 46 N N 3.284 122.023 118.700 0.065 0.000 2.696 46 N HA 0.379 5.119 4.740 -0.000 0.000 0.246 46 N C -1.407 174.106 175.510 0.005 0.000 1.057 46 N CA -0.295 52.761 53.050 0.010 0.000 0.867 46 N CB 1.142 39.621 38.487 -0.013 0.000 1.141 46 N HN 0.532 nan 8.380 nan 0.000 0.517 47 L N 0.944 122.133 121.223 -0.056 0.000 2.371 47 L HA 0.393 4.733 4.340 -0.000 0.000 0.272 47 L C 0.794 177.625 176.870 -0.065 0.000 1.124 47 L CA -0.178 54.596 54.840 -0.110 0.000 0.816 47 L CB 0.740 42.549 42.059 -0.417 0.000 1.129 47 L HN 0.167 nan 8.230 nan 0.000 0.448 48 T N 1.803 116.371 114.554 0.025 0.000 2.799 48 T HA 0.321 4.671 4.350 -0.000 0.000 0.286 48 T C -0.000 174.769 174.700 0.115 0.000 0.973 48 T CA -0.470 61.657 62.100 0.045 0.000 1.035 48 T CB 1.695 70.590 68.868 0.046 0.000 0.932 48 T HN 0.196 nan 8.240 nan 0.000 0.469 49 V N 3.790 123.755 119.914 0.084 0.000 2.508 49 V HA 0.400 4.520 4.120 -0.000 0.000 0.281 49 V C 1.295 177.473 176.094 0.140 0.000 1.041 49 V CA -0.239 62.159 62.300 0.162 0.000 1.016 49 V CB 0.790 32.685 31.823 0.121 0.000 0.984 49 V HN 1.050 nan 8.190 nan 0.000 0.478 50 G N 3.298 112.196 108.800 0.163 0.000 2.570 50 G HA2 0.085 4.045 3.960 -0.000 0.000 0.276 50 G HA3 0.085 4.045 3.960 -0.000 0.000 0.276 50 G C 0.789 175.731 174.900 0.070 0.000 1.346 50 G CA 0.280 45.437 45.100 0.095 0.000 1.034 50 G HN 0.824 nan 8.290 nan 0.000 0.512 51 D N -1.767 118.657 120.400 0.040 0.000 2.347 51 D HA -0.140 4.500 4.640 -0.000 0.000 0.215 51 D C 2.023 178.333 176.300 0.015 0.000 0.976 51 D CA 1.431 55.446 54.000 0.025 0.000 0.884 51 D CB -0.531 40.276 40.800 0.012 0.000 0.915 51 D HN 0.429 nan 8.370 nan 0.000 0.526 52 T N -3.774 110.786 114.554 0.010 0.000 3.081 52 T HA 0.302 4.652 4.350 -0.000 0.000 0.255 52 T C 1.826 176.528 174.700 0.003 0.000 1.113 52 T CA 0.668 62.760 62.100 -0.012 0.000 1.082 52 T CB -0.139 68.701 68.868 -0.047 0.000 0.939 52 T HN 0.315 nan 8.240 nan 0.000 0.506 53 G N 0.463 109.295 108.800 0.053 0.000 2.168 53 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.263 53 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.263 53 G C 0.136 175.108 174.900 0.119 0.000 0.977 53 G CA 0.239 45.400 45.100 0.102 0.000 0.659 53 G HN 0.771 nan 8.290 nan 0.000 0.533 54 S N -0.771 114.932 115.700 0.005 0.000 2.536 54 S HA 0.913 5.383 4.470 -0.000 0.000 0.298 54 S C 0.398 174.766 174.600 -0.387 0.000 1.083 54 S CA 0.167 58.239 58.200 -0.212 0.000 0.995 54 S CB 2.229 65.325 63.200 -0.174 0.000 1.058 54 S HN 1.661 nan 8.310 nan 0.000 0.488 55 G N 0.366 108.592 108.800 -0.958 0.000 2.550 55 G HA2 0.585 4.545 3.960 -0.000 0.000 0.293 55 G HA3 0.585 4.545 3.960 -0.000 0.000 0.293 55 G C -2.479 172.171 174.900 -0.416 0.000 1.402 55 G CA -0.555 44.175 45.100 -0.617 0.000 0.784 55 G HN 0.659 nan 8.290 nan 0.000 0.482 56 L N -0.120 121.144 121.223 0.067 0.000 2.464 56 L HA 0.792 5.132 4.340 -0.000 0.000 0.266 56 L C -1.229 175.767 176.870 0.210 0.000 0.965 56 L CA -0.713 54.188 54.840 0.101 0.000 0.833 56 L CB 1.774 43.767 42.059 -0.109 0.000 1.296 56 L HN 0.516 nan 8.230 nan 0.000 0.405 57 I N 5.319 125.956 120.570 0.113 0.000 2.354 57 I HA 0.466 4.636 4.170 -0.000 0.000 0.292 57 I C -0.699 175.207 176.117 -0.352 0.000 0.989 57 I CA -0.966 60.259 61.300 -0.126 0.000 1.188 57 I CB 1.908 39.725 38.000 -0.305 0.000 1.342 57 I HN 0.272 nan 8.210 nan 0.000 0.457 58 V N 7.113 126.763 119.914 -0.439 0.000 2.350 58 V HA 0.365 4.485 4.120 -0.000 0.000 0.276 58 V C -0.297 175.285 176.094 -0.852 0.000 1.028 58 V CA -0.378 61.597 62.300 -0.541 0.000 0.860 58 V CB 0.803 32.341 31.823 -0.475 0.000 0.990 58 V HN 0.402 nan 8.190 nan 0.000 0.453 59 F N 3.977 123.634 119.950 -0.489 0.000 2.425 59 F HA 0.580 5.107 4.527 0.000 0.000 0.331 59 F C 0.055 175.479 175.800 -0.626 0.000 1.085 59 F CA -0.551 57.168 58.000 -0.469 0.000 1.028 59 F CB 1.691 40.579 39.000 -0.187 0.000 1.177 59 F HN 0.363 nan 8.300 nan 0.000 0.487 60 F N 3.822 123.935 119.950 0.272 0.000 2.334 60 F HA 0.264 4.791 4.527 -0.000 0.000 0.343 60 F C -1.526 174.419 175.800 0.243 0.000 1.136 60 F CA -1.791 56.348 58.000 0.233 0.000 1.237 60 F CB 0.226 39.367 39.000 0.236 0.000 1.525 60 F HN 0.289 nan 8.300 nan 0.000 0.528 61 P HA -0.198 nan 4.420 nan 0.000 0.217 61 P C 1.390 178.784 177.300 0.156 0.000 1.151 61 P CA 1.639 64.826 63.100 0.145 0.000 0.849 61 P CB 0.273 32.012 31.700 0.065 0.000 0.787 62 G N -2.063 106.854 108.800 0.195 0.000 3.337 62 G HA2 0.070 4.030 3.960 -0.000 0.000 0.246 62 G HA3 0.070 4.030 3.960 -0.000 0.000 0.246 62 G C -0.149 174.872 174.900 0.202 0.000 1.131 62 G CA -0.455 44.733 45.100 0.147 0.000 0.773 62 G HN 0.143 nan 8.290 nan 0.000 0.544 63 F N 3.109 123.183 119.950 0.207 0.000 2.590 63 F HA 0.238 4.765 4.527 -0.000 0.000 0.389 63 F C -1.415 174.520 175.800 0.225 0.000 1.049 63 F CA -2.242 55.886 58.000 0.213 0.000 1.199 63 F CB 1.075 40.215 39.000 0.234 0.000 1.058 63 F HN -0.024 nan 8.300 nan 0.000 0.556 64 P HA 0.306 nan 4.420 nan 0.000 0.225 64 P C -0.113 177.170 177.300 -0.028 0.000 1.813 64 P CA 0.344 63.377 63.100 -0.112 0.000 1.013 64 P CB 0.130 31.719 31.700 -0.185 0.000 1.961 65 G N 0.032 109.087 108.800 0.425 0.000 2.360 65 G HA2 0.051 4.011 3.960 -0.000 0.000 0.276 65 G HA3 0.051 4.011 3.960 -0.000 0.000 0.276 65 G C 0.329 175.556 174.900 0.546 0.000 1.256 65 G CA -0.331 45.017 45.100 0.413 0.000 0.890 65 G HN -0.083 nan 8.290 nan 0.000 0.486 66 S N -0.216 115.685 115.700 0.335 0.000 2.522 66 S HA 0.180 4.650 4.470 -0.000 0.000 0.227 66 S C 1.111 175.814 174.600 0.172 0.000 0.986 66 S CA 0.230 58.572 58.200 0.237 0.000 0.929 66 S CB -0.318 62.960 63.200 0.131 0.000 0.769 66 S HN 0.365 nan 8.310 nan 0.000 0.529 67 I N 1.833 122.401 120.570 -0.004 0.000 2.363 67 I HA 0.125 4.295 4.170 -0.000 0.000 0.292 67 I C 0.895 177.011 176.117 -0.002 0.000 1.075 67 I CA -0.218 60.924 61.300 -0.262 0.000 1.333 67 I CB 0.890 38.330 38.000 -0.934 0.000 1.415 67 I HN -0.047 nan 8.210 nan 0.000 0.502 68 V N 5.664 125.678 119.914 0.167 0.000 2.795 68 V HA 0.326 4.446 4.120 -0.000 0.000 0.243 68 V C 1.064 177.366 176.094 0.346 0.000 1.069 68 V CA 1.247 63.728 62.300 0.301 0.000 1.089 68 V CB 0.338 32.333 31.823 0.287 0.000 0.756 68 V HN 0.996 nan 8.190 nan 0.000 0.471 69 G N -1.326 107.579 108.800 0.176 0.000 2.341 69 G HA2 0.664 4.624 3.960 -0.000 0.000 0.299 69 G HA3 0.664 4.624 3.960 -0.000 0.000 0.299 69 G C -1.883 172.957 174.900 -0.101 0.000 1.274 69 G CA 0.110 45.149 45.100 -0.101 0.000 0.853 69 G HN 0.619 nan 8.290 nan 0.000 0.493 70 A N -0.474 122.199 122.820 -0.244 0.000 2.520 70 A HA 0.778 5.098 4.320 -0.000 0.000 0.298 70 A C -1.251 176.164 177.584 -0.282 0.000 1.051 70 A CA -0.461 51.480 52.037 -0.159 0.000 0.690 70 A CB 1.464 20.494 19.000 0.050 0.000 1.281 70 A HN 1.170 nan 8.150 nan 0.000 0.402 71 H N 1.470 120.238 119.070 -0.504 0.000 2.459 71 H HA 0.661 5.217 4.556 -0.000 0.000 0.332 71 H C -1.752 173.254 175.328 -0.537 0.000 1.094 71 H CA -0.307 55.505 56.048 -0.394 0.000 1.224 71 H CB 0.927 30.504 29.762 -0.307 0.000 1.449 71 H HN 0.617 nan 8.280 nan 0.000 0.484 72 Y N 1.819 121.886 120.300 -0.389 0.000 2.462 72 Y HA 0.201 4.751 4.550 -0.000 0.000 0.346 72 Y C 0.255 175.998 175.900 -0.263 0.000 0.976 72 Y CA -0.823 57.127 58.100 -0.251 0.000 1.044 72 Y CB 2.244 40.716 38.460 0.021 0.000 1.230 72 Y HN 0.571 nan 8.280 nan 0.000 0.455 73 T N 0.442 114.985 114.554 -0.019 0.000 2.902 73 T HA 0.568 4.918 4.350 -0.000 0.000 0.283 73 T C -0.924 173.867 174.700 0.152 0.000 1.009 73 T CA -0.803 61.324 62.100 0.044 0.000 1.051 73 T CB 1.522 70.392 68.868 0.004 0.000 0.999 73 T HN 0.418 nan 8.240 nan 0.000 0.474 74 L N 2.672 123.924 121.223 0.048 0.000 2.290 74 L HA 0.359 4.699 4.340 -0.000 0.000 0.284 74 L C 0.161 176.959 176.870 -0.119 0.000 1.078 74 L CA 0.051 54.796 54.840 -0.158 0.000 0.815 74 L CB 0.712 42.608 42.059 -0.271 0.000 1.162 74 L HN 0.724 nan 8.230 nan 0.000 0.435 75 Q N 2.063 121.780 119.800 -0.138 0.000 2.221 75 Q HA 0.251 4.591 4.340 -0.000 0.000 0.242 75 Q C 1.219 177.158 176.000 -0.103 0.000 0.940 75 Q CA 0.162 55.913 55.803 -0.087 0.000 0.896 75 Q CB 1.224 29.926 28.738 -0.060 0.000 1.226 75 Q HN 0.845 nan 8.270 nan 0.000 0.463 76 S N 0.935 116.594 115.700 -0.069 0.000 2.402 76 S HA -0.233 4.237 4.470 -0.000 0.000 0.233 76 S C 1.133 175.688 174.600 -0.075 0.000 1.030 76 S CA 1.849 60.010 58.200 -0.065 0.000 1.003 76 S CB -0.505 62.668 63.200 -0.044 0.000 0.813 76 S HN 0.786 nan 8.310 nan 0.000 0.477 77 N N 1.426 120.080 118.700 -0.077 0.000 2.515 77 N HA 0.285 5.025 4.740 -0.000 0.000 0.191 77 N C 1.188 176.633 175.510 -0.108 0.000 1.182 77 N CA 0.644 53.647 53.050 -0.079 0.000 0.879 77 N CB -0.603 37.845 38.487 -0.065 0.000 0.984 77 N HN 0.600 nan 8.380 nan 0.000 0.453 78 G N -1.166 107.546 108.800 -0.146 0.000 2.176 78 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.253 78 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.253 78 G C -0.390 174.344 174.900 -0.278 0.000 0.979 78 G CA 0.001 44.980 45.100 -0.201 0.000 0.641 78 G HN 0.478 nan 8.290 nan 0.000 0.530 79 N N -0.326 118.235 118.700 -0.232 0.000 2.489 79 N HA 0.597 5.337 4.740 -0.000 0.000 0.284 79 N C -0.368 174.984 175.510 -0.263 0.000 1.158 79 N CA -0.286 52.628 53.050 -0.227 0.000 0.965 79 N CB 0.708 39.127 38.487 -0.114 0.000 1.195 79 N HN 0.217 nan 8.380 nan 0.000 0.506 80 Y N 0.109 120.339 120.300 -0.117 0.000 2.354 80 Y HA 0.306 4.856 4.550 -0.000 0.000 0.322 80 Y C 0.822 176.759 175.900 0.062 0.000 1.253 80 Y CA -0.196 57.887 58.100 -0.029 0.000 1.272 80 Y CB 1.336 39.752 38.460 -0.074 0.000 1.255 80 Y HN 0.168 nan 8.280 nan 0.000 0.500 81 K N 2.855 123.454 120.400 0.332 0.000 2.471 81 K HA 0.253 4.573 4.320 -0.000 0.000 0.252 81 K C -1.539 175.249 176.600 0.313 0.000 0.938 81 K CA -0.784 55.661 56.287 0.263 0.000 0.796 81 K CB 1.045 33.618 32.500 0.122 0.000 1.161 81 K HN 0.566 nan 8.250 nan 0.000 0.425 82 F N 3.777 123.843 119.950 0.193 0.000 2.572 82 F HA 0.011 4.538 4.527 -0.000 0.000 0.370 82 F C 0.862 176.584 175.800 -0.130 0.000 1.103 82 F CA 0.585 58.556 58.000 -0.048 0.000 1.286 82 F CB 0.845 39.846 39.000 0.002 0.000 1.105 82 F HN 0.790 nan 8.300 nan 0.000 0.583 83 D N 2.337 122.065 120.400 -1.120 0.000 3.012 83 D HA 0.112 4.752 4.640 -0.000 0.000 0.284 83 D C -0.557 175.008 176.300 -1.224 0.000 1.259 83 D CA 0.995 54.501 54.000 -0.823 0.000 1.036 83 D CB 0.224 40.722 40.800 -0.504 0.000 1.167 83 D HN 0.698 nan 8.370 nan 0.000 0.429 84 Q N -1.192 117.781 119.800 -1.378 0.000 2.756 84 Q HA 0.299 4.639 4.340 -0.000 0.000 0.295 84 Q C -1.138 174.648 176.000 -0.358 0.000 0.903 84 Q CA -0.997 54.315 55.803 -0.819 0.000 0.768 84 Q CB 0.994 29.549 28.738 -0.306 0.000 1.472 84 Q HN -0.034 nan 8.270 nan 0.000 0.416 85 M N 1.329 120.942 119.600 0.022 0.000 2.247 85 M HA 0.466 4.946 4.480 -0.000 0.000 0.326 85 M C -0.524 175.644 176.300 -0.221 0.000 1.134 85 M CA -0.278 55.032 55.300 0.016 0.000 1.136 85 M CB 0.347 33.003 32.600 0.093 0.000 1.454 85 M HN 0.613 nan 8.290 nan 0.000 0.467 86 L N 3.507 124.573 121.223 -0.261 0.000 2.305 86 L HA 0.590 4.930 4.340 -0.000 0.000 0.284 86 L C -0.529 176.287 176.870 -0.090 0.000 1.013 86 L CA -0.374 54.149 54.840 -0.529 0.000 0.819 86 L CB 1.110 42.889 42.059 -0.466 0.000 1.227 86 L HN 0.585 nan 8.230 nan 0.000 0.417 87 L N 1.084 122.380 121.223 0.122 0.000 2.216 87 L HA 0.657 4.997 4.340 -0.000 0.000 0.260 87 L C 0.530 177.586 176.870 0.310 0.000 1.036 87 L CA -0.829 54.142 54.840 0.218 0.000 0.914 87 L CB 2.068 44.240 42.059 0.187 0.000 1.501 87 L HN 0.557 nan 8.230 nan 0.000 0.485 88 T N -2.615 112.081 114.554 0.238 0.000 2.847 88 T HA 0.426 4.776 4.350 -0.000 0.000 0.279 88 T C 1.037 175.833 174.700 0.161 0.000 0.984 88 T CA -0.059 62.172 62.100 0.219 0.000 0.988 88 T CB 1.469 70.471 68.868 0.224 0.000 1.040 88 T HN 0.632 nan 8.240 nan 0.000 0.528 89 A N 0.769 123.661 122.820 0.120 0.000 1.892 89 A HA -0.042 4.278 4.320 -0.000 0.000 0.218 89 A C 1.311 178.936 177.584 0.068 0.000 1.188 89 A CA 1.701 53.779 52.037 0.067 0.000 0.631 89 A CB -0.893 18.138 19.000 0.052 0.000 0.822 89 A HN 0.994 nan 8.150 nan 0.000 0.447 90 Q N -1.323 118.526 119.800 0.080 0.000 2.416 90 Q HA 0.482 4.822 4.340 -0.000 0.000 0.279 90 Q C -1.142 174.902 176.000 0.074 0.000 1.101 90 Q CA -0.927 54.918 55.803 0.070 0.000 0.830 90 Q CB 0.771 29.550 28.738 0.067 0.000 1.402 90 Q HN 0.183 nan 8.270 nan 0.000 0.445 91 N N 1.578 120.316 118.700 0.063 0.000 2.439 91 N HA 0.140 4.880 4.740 -0.000 0.000 0.243 91 N C 0.567 176.113 175.510 0.060 0.000 1.088 91 N CA -0.047 53.039 53.050 0.059 0.000 0.940 91 N CB 0.289 38.804 38.487 0.047 0.000 1.180 91 N HN 0.767 nan 8.380 nan 0.000 0.505 92 L N 4.245 125.500 121.223 0.052 0.000 2.043 92 L HA -0.133 4.206 4.340 -0.000 0.000 0.212 92 L C -0.668 176.273 176.870 0.118 0.000 1.075 92 L CA 1.315 56.204 54.840 0.081 0.000 0.752 92 L CB -1.166 40.838 42.059 -0.093 0.000 0.891 92 L HN 0.511 nan 8.230 nan 0.000 0.432 93 P HA -0.159 nan 4.420 nan 0.000 0.223 93 P C 1.134 178.436 177.300 0.004 0.000 1.144 93 P CA 1.443 64.560 63.100 0.028 0.000 0.783 93 P CB 0.005 31.714 31.700 0.016 0.000 0.771 94 A N -1.523 121.301 122.820 0.006 0.000 2.123 94 A HA 0.029 4.349 4.320 -0.000 0.000 0.214 94 A C 2.035 179.571 177.584 -0.081 0.000 1.152 94 A CA 1.414 53.434 52.037 -0.027 0.000 0.728 94 A CB -0.525 18.467 19.000 -0.014 0.000 0.814 94 A HN 0.114 nan 8.150 nan 0.000 0.464 95 S N -2.447 113.183 115.700 -0.117 0.000 2.589 95 S HA 0.352 4.822 4.470 -0.000 0.000 0.235 95 S C -0.416 173.792 174.600 -0.653 0.000 1.051 95 S CA -0.201 57.770 58.200 -0.381 0.000 0.978 95 S CB 0.115 63.016 63.200 -0.499 0.000 0.929 95 S HN 0.511 nan 8.310 nan 0.000 0.523 96 Y N 0.751 121.027 120.300 -0.041 0.000 2.570 96 Y HA 0.510 5.060 4.550 -0.000 0.000 0.345 96 Y C 0.639 176.493 175.900 -0.076 0.000 1.014 96 Y CA -1.095 56.983 58.100 -0.035 0.000 1.063 96 Y CB 1.030 39.474 38.460 -0.026 0.000 1.272 96 Y HN -0.163 nan 8.280 nan 0.000 0.477 97 N N -0.339 118.411 118.700 0.084 0.000 2.348 97 N HA 0.118 4.858 4.740 -0.000 0.000 0.183 97 N C -1.303 173.943 175.510 -0.440 0.000 1.094 97 N CA 0.341 53.277 53.050 -0.189 0.000 0.885 97 N CB 0.540 38.888 38.487 -0.232 0.000 1.065 97 N HN 0.534 nan 8.380 nan 0.000 0.472 98 Y N -1.171 119.202 120.300 0.123 0.000 2.553 98 Y HA 0.553 5.103 4.550 0.000 0.000 0.347 98 Y C -0.364 175.652 175.900 0.192 0.000 1.019 98 Y CA -1.168 57.018 58.100 0.144 0.000 1.032 98 Y CB 2.206 40.758 38.460 0.154 0.000 1.284 98 Y HN -0.157 nan 8.280 nan 0.000 0.466 99 C N 2.453 121.971 119.300 0.363 0.000 3.239 99 C HA 0.772 5.232 4.460 -0.000 0.000 0.329 99 C C -1.857 173.124 174.990 -0.014 0.000 1.252 99 C CA -0.617 58.499 59.018 0.164 0.000 1.323 99 C CB 1.773 29.529 27.740 0.026 0.000 1.663 99 C HN 0.977 nan 8.230 nan 0.000 0.487 100 R N 2.712 123.166 120.500 -0.076 0.000 2.604 100 R HA 0.552 4.892 4.340 -0.000 0.000 0.281 100 R C -1.626 174.710 176.300 0.060 0.000 1.020 100 R CA -0.755 55.257 56.100 -0.146 0.000 0.899 100 R CB 2.014 32.011 30.300 -0.505 0.000 1.205 100 R HN 0.720 nan 8.270 nan 0.000 0.450 101 L N 3.383 124.653 121.223 0.079 0.000 2.331 101 L HA 0.185 4.525 4.340 -0.000 0.000 0.278 101 L C 0.387 177.260 176.870 0.004 0.000 1.106 101 L CA 0.406 55.242 54.840 -0.007 0.000 0.824 101 L CB 1.529 43.588 42.059 -0.000 0.000 1.142 101 L HN 0.537 nan 8.230 nan 0.000 0.443 102 V N 2.395 122.277 119.914 -0.052 0.000 2.521 102 V HA 0.296 4.416 4.120 -0.000 0.000 0.239 102 V C 0.583 176.711 176.094 0.058 0.000 1.053 102 V CA 1.078 63.426 62.300 0.080 0.000 1.073 102 V CB 0.174 32.043 31.823 0.077 0.000 0.746 102 V HN 0.926 nan 8.190 nan 0.000 0.476 103 S N -0.170 115.478 115.700 -0.087 0.000 2.587 103 S HA 0.780 5.250 4.470 -0.000 0.000 0.269 103 S C -0.909 173.599 174.600 -0.154 0.000 1.154 103 S CA -0.853 57.285 58.200 -0.103 0.000 0.824 103 S CB 2.961 66.078 63.200 -0.139 0.000 1.118 103 S HN 0.482 nan 8.310 nan 0.000 0.462 104 R N 0.189 120.612 120.500 -0.127 0.000 2.634 104 R HA 0.680 5.020 4.340 -0.000 0.000 0.263 104 R C -1.936 174.278 176.300 -0.144 0.000 1.060 104 R CA -0.036 55.982 56.100 -0.137 0.000 0.898 104 R CB 1.683 31.906 30.300 -0.128 0.000 1.253 104 R HN 1.372 nan 8.270 nan 0.000 0.461 105 S N 3.311 118.913 115.700 -0.164 0.000 2.533 105 S HA 0.709 5.179 4.470 -0.000 0.000 0.271 105 S C -1.414 173.045 174.600 -0.236 0.000 1.143 105 S CA -0.884 57.179 58.200 -0.229 0.000 0.891 105 S CB 1.623 64.659 63.200 -0.273 0.000 1.105 105 S HN 0.419 nan 8.310 nan 0.000 0.468 106 L N 1.945 122.979 121.223 -0.314 0.000 2.422 106 L HA 0.797 5.137 4.340 -0.000 0.000 0.264 106 L C -0.143 176.571 176.870 -0.261 0.000 0.984 106 L CA -0.578 54.082 54.840 -0.300 0.000 0.819 106 L CB 2.787 44.527 42.059 -0.532 0.000 1.330 106 L HN 0.990 nan 8.230 nan 0.000 0.410 107 T N -0.779 113.685 114.554 -0.151 0.000 2.885 107 T HA 0.833 5.183 4.350 -0.000 0.000 0.285 107 T C -0.671 174.012 174.700 -0.028 0.000 1.019 107 T CA -0.815 61.226 62.100 -0.098 0.000 1.010 107 T CB 1.877 70.704 68.868 -0.069 0.000 1.022 107 T HN 0.220 nan 8.240 nan 0.000 0.466 108 V N 3.630 123.549 119.914 0.008 0.000 2.483 108 V HA 0.800 4.920 4.120 -0.000 0.000 0.297 108 V C -0.117 175.990 176.094 0.022 0.000 1.027 108 V CA -0.916 61.410 62.300 0.043 0.000 0.855 108 V CB 1.204 33.095 31.823 0.113 0.000 0.995 108 V HN 1.180 nan 8.190 nan 0.000 0.424 109 R N 2.134 122.632 120.500 -0.004 0.000 2.692 109 R HA 0.672 5.012 4.340 -0.000 0.000 0.269 109 R C -1.042 175.236 176.300 -0.037 0.000 1.030 109 R CA -0.560 55.536 56.100 -0.008 0.000 0.882 109 R CB 1.756 32.059 30.300 0.006 0.000 1.250 109 R HN 0.507 nan 8.270 nan 0.000 0.465 110 S N 0.021 115.700 115.700 -0.036 0.000 2.565 110 S HA 0.179 4.649 4.470 -0.000 0.000 0.274 110 S C 0.653 175.235 174.600 -0.029 0.000 1.309 110 S CA 0.080 58.250 58.200 -0.050 0.000 1.043 110 S CB 0.893 64.069 63.200 -0.041 0.000 0.939 110 S HN 0.711 nan 8.310 nan 0.000 0.504 111 S N 2.357 118.038 115.700 -0.033 0.000 2.578 111 S HA 0.183 4.653 4.470 -0.000 0.000 0.228 111 S C 0.437 175.027 174.600 -0.017 0.000 1.022 111 S CA -0.297 57.891 58.200 -0.020 0.000 0.967 111 S CB 0.242 63.429 63.200 -0.021 0.000 0.914 111 S HN 0.566 nan 8.310 nan 0.000 0.515 112 T N 4.142 118.683 114.554 -0.021 0.000 3.315 112 T HA 0.507 4.857 4.350 -0.000 0.000 0.275 112 T C -0.270 174.424 174.700 -0.010 0.000 1.598 112 T CA -0.459 61.632 62.100 -0.014 0.000 1.368 112 T CB -0.410 68.448 68.868 -0.016 0.000 1.079 112 T HN 0.139 nan 8.240 nan 0.000 0.703 121 N N 1.243 119.957 118.700 0.024 0.000 2.595 121 N HA 0.439 5.179 4.740 -0.000 0.000 0.291 121 N C 0.235 175.764 175.510 0.033 0.000 1.706 121 N CA 0.562 53.625 53.050 0.023 0.000 0.867 121 N CB 1.202 39.698 38.487 0.015 0.000 1.414 121 N HN 0.753 nan 8.380 nan 0.000 0.492 122 G N 0.375 109.196 108.800 0.035 0.000 2.592 122 G HA2 -0.103 3.857 3.960 -0.000 0.000 0.684 122 G HA3 -0.103 3.857 3.960 -0.000 0.000 0.684 122 G C -0.703 174.239 174.900 0.070 0.000 1.291 122 G CA -0.426 44.700 45.100 0.044 0.000 0.891 122 G HN 0.351 nan 8.290 nan 0.000 0.544 123 T N -2.317 112.292 114.554 0.092 0.000 2.864 123 T HA 0.784 5.134 4.350 -0.000 0.000 0.299 123 T C -0.488 174.397 174.700 0.307 0.000 1.166 123 T CA -0.711 61.491 62.100 0.169 0.000 1.007 123 T CB 2.228 71.205 68.868 0.182 0.000 1.219 123 T HN 1.077 nan 8.240 nan 0.000 0.506 124 I N 1.694 122.460 120.570 0.326 0.000 2.509 124 I HA 0.505 4.675 4.170 -0.000 0.000 0.293 124 I C -0.824 175.420 176.117 0.210 0.000 1.020 124 I CA -0.901 60.614 61.300 0.357 0.000 1.088 124 I CB 2.175 40.314 38.000 0.231 0.000 1.267 124 I HN 0.559 nan 8.210 nan 0.000 0.430 125 N N 3.983 122.699 118.700 0.027 0.000 2.321 125 N HA 0.834 5.574 4.740 -0.000 0.000 0.299 125 N C -1.291 174.161 175.510 -0.096 0.000 1.048 125 N CA -0.491 52.416 53.050 -0.239 0.000 0.836 125 N CB 2.321 40.319 38.487 -0.816 0.000 1.269 125 N HN 0.695 nan 8.380 nan 0.000 0.486 126 A N 0.842 123.626 122.820 -0.060 0.000 2.515 126 A HA 0.803 5.123 4.320 -0.000 0.000 0.298 126 A C -1.373 176.193 177.584 -0.031 0.000 1.059 126 A CA -0.649 51.380 52.037 -0.013 0.000 0.698 126 A CB 1.505 20.528 19.000 0.038 0.000 1.289 126 A HN 0.425 nan 8.150 nan 0.000 0.404 127 V N 0.633 120.538 119.914 -0.015 0.000 3.120 127 V HA 0.739 4.859 4.120 -0.000 0.000 0.303 127 V C -0.983 175.126 176.094 0.025 0.000 1.238 127 V CA -0.219 62.075 62.300 -0.010 0.000 1.008 127 V CB 2.648 34.459 31.823 -0.020 0.000 1.064 127 V HN 1.042 nan 8.190 nan 0.000 0.434 128 T N 6.000 120.573 114.554 0.032 0.000 2.772 128 T HA 0.506 4.856 4.350 -0.000 0.000 0.288 128 T C -0.940 173.835 174.700 0.125 0.000 0.994 128 T CA 0.030 62.166 62.100 0.061 0.000 0.951 128 T CB 0.643 69.517 68.868 0.011 0.000 0.933 128 T HN 0.523 nan 8.240 nan 0.000 0.447 129 F N 2.719 122.655 119.950 -0.023 0.000 2.421 129 F HA 0.328 4.855 4.527 -0.000 0.000 0.337 129 F C 1.208 177.004 175.800 -0.006 0.000 1.105 129 F CA -0.850 57.140 58.000 -0.017 0.000 1.049 129 F CB 1.356 40.347 39.000 -0.015 0.000 1.139 129 F HN 0.502 nan 8.300 nan 0.000 0.479 130 Q N 3.716 123.196 119.800 -0.534 0.000 2.415 130 Q HA 0.181 4.521 4.340 -0.000 0.000 0.206 130 Q C 0.666 176.256 176.000 -0.683 0.000 0.946 130 Q CA 0.277 55.787 55.803 -0.489 0.000 0.951 130 Q CB 0.263 28.810 28.738 -0.318 0.000 1.026 130 Q HN 0.913 nan 8.270 nan 0.000 0.510 131 G N 0.082 108.082 108.800 -1.334 0.000 2.990 131 G HA2 0.422 4.382 3.960 -0.000 0.000 0.208 131 G HA3 0.422 4.382 3.960 -0.000 0.000 0.208 131 G C -0.567 174.326 174.900 -0.011 0.000 1.334 131 G CA -0.464 44.245 45.100 -0.653 0.000 1.024 131 G HN 0.211 nan 8.290 nan 0.000 0.574 132 S N -1.065 114.778 115.700 0.238 0.000 2.722 132 S HA 0.395 4.865 4.470 -0.000 0.000 0.292 132 S C 1.244 176.061 174.600 0.361 0.000 1.135 132 S CA -0.536 57.841 58.200 0.295 0.000 1.003 132 S CB 1.626 64.957 63.200 0.217 0.000 1.067 132 S HN 0.614 nan 8.310 nan 0.000 0.546 133 L N 1.947 123.323 121.223 0.256 0.000 2.010 133 L HA -0.183 4.157 4.340 -0.000 0.000 0.219 133 L C 2.528 179.455 176.870 0.095 0.000 1.077 133 L CA 2.845 57.747 54.840 0.103 0.000 0.773 133 L CB -1.384 40.694 42.059 0.032 0.000 0.892 133 L HN 1.019 nan 8.230 nan 0.000 0.436 134 S N -1.771 114.018 115.700 0.148 0.000 2.595 134 S HA -0.104 4.366 4.470 -0.000 0.000 0.235 134 S C 1.463 176.146 174.600 0.139 0.000 0.974 134 S CA 0.963 59.248 58.200 0.143 0.000 0.942 134 S CB -0.685 62.587 63.200 0.120 0.000 0.766 134 S HN 0.720 nan 8.310 nan 0.000 0.536 135 E N 0.425 120.749 120.200 0.207 0.000 2.447 135 E HA 0.236 4.586 4.350 -0.000 0.000 0.195 135 E C -0.116 176.570 176.600 0.144 0.000 1.028 135 E CA -0.254 56.300 56.400 0.257 0.000 0.876 135 E CB -0.017 29.921 29.700 0.396 0.000 0.885 135 E HN 0.525 nan 8.360 nan 0.000 0.500 136 L N 2.035 123.168 121.223 -0.151 0.000 2.490 136 L HA -0.038 4.302 4.340 -0.000 0.000 0.274 136 L C 1.795 178.567 176.870 -0.164 0.000 1.201 136 L CA 0.302 54.858 54.840 -0.472 0.000 0.869 136 L CB 0.629 42.387 42.059 -0.503 0.000 1.123 136 L HN 0.149 nan 8.230 nan 0.000 0.484 137 T N -2.475 111.994 114.554 -0.141 0.000 3.067 137 T HA 0.041 4.391 4.350 -0.000 0.000 0.257 137 T C 0.301 174.970 174.700 -0.052 0.000 1.105 137 T CA 0.059 62.128 62.100 -0.051 0.000 1.104 137 T CB 0.166 69.025 68.868 -0.016 0.000 0.925 137 T HN 0.553 nan 8.240 nan 0.000 0.498 138 D N 0.718 121.069 120.400 -0.082 0.000 2.966 138 D HA 0.257 4.897 4.640 -0.000 0.000 0.222 138 D C 0.018 176.289 176.300 -0.048 0.000 1.292 138 D CA -0.603 53.369 54.000 -0.046 0.000 0.907 138 D CB 2.315 43.093 40.800 -0.036 0.000 1.621 138 D HN 0.088 nan 8.370 nan 0.000 0.557 139 V N 1.420 121.346 119.914 0.020 0.000 3.085 139 V HA 0.333 4.453 4.120 -0.000 0.000 0.345 139 V C 0.689 176.871 176.094 0.147 0.000 1.397 139 V CA -0.054 62.285 62.300 0.066 0.000 1.165 139 V CB -0.397 31.527 31.823 0.168 0.000 1.153 139 V HN 0.443 nan 8.190 nan 0.000 0.495 140 S N -0.770 114.989 115.700 0.098 0.000 2.603 140 S HA 0.336 4.806 4.470 -0.000 0.000 0.268 140 S C 0.832 175.505 174.600 0.122 0.000 1.317 140 S CA 0.150 58.424 58.200 0.123 0.000 1.012 140 S CB 0.863 64.103 63.200 0.067 0.000 0.926 140 S HN 0.459 nan 8.310 nan 0.000 0.539 141 Y N 2.325 122.648 120.300 0.038 0.000 2.114 141 Y HA -0.230 4.320 4.550 -0.000 0.000 0.282 141 Y C 2.076 177.986 175.900 0.017 0.000 1.165 141 Y CA 2.472 60.588 58.100 0.026 0.000 1.148 141 Y CB -0.378 38.089 38.460 0.011 0.000 0.972 141 Y HN 0.703 nan 8.280 nan 0.000 0.504 142 N N -0.322 118.438 118.700 0.101 0.000 2.333 142 N HA -0.034 4.706 4.740 -0.000 0.000 0.178 142 N C 2.003 177.489 175.510 -0.040 0.000 1.018 142 N CA 1.020 54.068 53.050 -0.002 0.000 0.882 142 N CB -0.652 37.887 38.487 0.087 0.000 0.984 142 N HN 0.527 nan 8.380 nan 0.000 0.434 143 G N 2.131 110.923 108.800 -0.014 0.000 2.432 143 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.219 143 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.219 143 G C 1.609 176.475 174.900 -0.055 0.000 1.135 143 G CA 0.793 45.878 45.100 -0.026 0.000 0.767 143 G HN 0.352 nan 8.290 nan 0.000 0.550 144 L N -1.617 119.558 121.223 -0.080 0.000 2.265 144 L HA 0.119 4.459 4.340 -0.000 0.000 0.215 144 L C 2.335 179.152 176.870 -0.089 0.000 1.117 144 L CA 1.037 55.818 54.840 -0.098 0.000 0.782 144 L CB -0.694 41.297 42.059 -0.113 0.000 0.914 144 L HN -0.054 nan 8.230 nan 0.000 0.441 145 M N -0.264 119.278 119.600 -0.097 0.000 2.530 145 M HA -0.086 4.394 4.480 -0.000 0.000 0.261 145 M C 1.807 178.081 176.300 -0.042 0.000 1.067 145 M CA 1.013 56.268 55.300 -0.076 0.000 1.071 145 M CB -1.260 31.294 32.600 -0.078 0.000 1.405 145 M HN 0.406 nan 8.290 nan 0.000 0.478 146 S N -0.405 115.275 115.700 -0.033 0.000 2.539 146 S HA 0.311 4.781 4.470 -0.000 0.000 0.221 146 S C 1.776 176.382 174.600 0.009 0.000 0.987 146 S CA 0.341 58.534 58.200 -0.012 0.000 0.929 146 S CB 0.203 63.397 63.200 -0.010 0.000 0.832 146 S HN 0.488 nan 8.310 nan 0.000 0.492 147 A N 1.244 124.067 122.820 0.005 0.000 2.024 147 A HA 0.008 4.328 4.320 -0.000 0.000 0.220 147 A C 1.371 179.058 177.584 0.172 0.000 1.164 147 A CA 1.511 53.586 52.037 0.063 0.000 0.643 147 A CB -0.190 18.804 19.000 -0.010 0.000 0.806 147 A HN 0.422 nan 8.150 nan 0.000 0.451 148 T N -4.074 110.535 114.554 0.092 0.000 2.896 148 T HA 0.574 4.924 4.350 -0.000 0.000 0.297 148 T C 0.316 175.029 174.700 0.022 0.000 1.108 148 T CA 0.089 62.230 62.100 0.068 0.000 1.004 148 T CB 1.757 70.653 68.868 0.047 0.000 1.159 148 T HN 0.459 nan 8.240 nan 0.000 0.499 149 A N 2.474 125.298 122.820 0.007 0.000 2.303 149 A HA 0.334 4.654 4.320 -0.000 0.000 0.217 149 A C 0.580 178.152 177.584 -0.021 0.000 1.205 149 A CA -0.162 51.871 52.037 -0.007 0.000 0.875 149 A CB -0.188 18.809 19.000 -0.006 0.000 0.910 149 A HN 0.723 nan 8.150 nan 0.000 0.501 150 N N 0.861 119.545 118.700 -0.027 0.000 2.431 150 N HA 0.102 4.842 4.740 -0.000 0.000 0.265 150 N C 0.623 176.099 175.510 -0.057 0.000 1.184 150 N CA -0.227 52.796 53.050 -0.045 0.000 0.943 150 N CB 1.132 39.587 38.487 -0.054 0.000 1.080 150 N HN 0.216 nan 8.380 nan 0.000 0.477 151 I N 2.288 122.821 120.570 -0.061 0.000 2.423 151 I HA -0.187 3.982 4.170 -0.000 0.000 0.254 151 I C 1.077 177.128 176.117 -0.110 0.000 1.151 151 I CA 1.307 62.564 61.300 -0.071 0.000 1.421 151 I CB -0.114 37.849 38.000 -0.062 0.000 1.079 151 I HN 0.396 nan 8.210 nan 0.000 0.431 152 N N 0.506 119.127 118.700 -0.132 0.000 2.383 152 N HA -0.004 4.736 4.740 -0.000 0.000 0.192 152 N C 0.239 175.623 175.510 -0.211 0.000 1.141 152 N CA 0.429 53.355 53.050 -0.206 0.000 0.851 152 N CB -0.013 38.343 38.487 -0.219 0.000 0.976 152 N HN 0.421 nan 8.380 nan 0.000 0.465 153 D N 0.254 120.571 120.400 -0.139 0.000 2.501 153 D HA 0.074 4.714 4.640 -0.000 0.000 0.224 153 D C 0.132 176.383 176.300 -0.081 0.000 1.202 153 D CA 0.189 54.124 54.000 -0.108 0.000 0.829 153 D CB 0.864 41.623 40.800 -0.068 0.000 1.023 153 D HN 0.389 nan 8.370 nan 0.000 0.499 154 K N -0.145 120.198 120.400 -0.096 0.000 2.532 154 K HA 0.654 4.974 4.320 -0.000 0.000 0.265 154 K C -1.536 175.017 176.600 -0.079 0.000 0.948 154 K CA -0.864 55.380 56.287 -0.072 0.000 0.842 154 K CB 2.603 35.068 32.500 -0.057 0.000 1.392 154 K HN -0.177 nan 8.250 nan 0.000 0.436 155 I N 0.640 121.174 120.570 -0.059 0.000 2.644 155 I HA 0.524 4.694 4.170 -0.000 0.000 0.291 155 I C -1.281 174.817 176.117 -0.032 0.000 1.180 155 I CA -0.012 61.265 61.300 -0.039 0.000 1.040 155 I CB 2.431 40.421 38.000 -0.017 0.000 1.255 155 I HN 0.883 nan 8.210 nan 0.000 0.422 156 G N 4.087 112.878 108.800 -0.016 0.000 2.542 156 G HA2 0.436 4.396 3.960 -0.000 0.000 0.311 156 G HA3 0.436 4.396 3.960 -0.000 0.000 0.311 156 G C -0.559 174.365 174.900 0.041 0.000 1.298 156 G CA -0.538 44.553 45.100 -0.014 0.000 0.973 156 G HN 0.646 nan 8.290 nan 0.000 0.487 157 N N -0.567 118.184 118.700 0.085 0.000 2.725 157 N HA -0.165 4.575 4.740 -0.000 0.000 0.251 157 N C 0.224 175.807 175.510 0.122 0.000 1.031 157 N CA 0.644 53.785 53.050 0.152 0.000 0.720 157 N CB -0.946 37.620 38.487 0.132 0.000 0.930 157 N HN 0.403 nan 8.380 nan 0.000 0.543 158 V N 1.068 121.054 119.914 0.121 0.000 2.583 158 V HA 0.170 4.290 4.120 -0.000 0.000 0.287 158 V C 1.338 177.499 176.094 0.112 0.000 1.051 158 V CA -0.629 61.734 62.300 0.105 0.000 1.010 158 V CB 1.205 33.090 31.823 0.103 0.000 0.988 158 V HN 0.169 nan 8.190 nan 0.000 0.478 159 L N 4.646 125.923 121.223 0.090 0.000 2.499 159 L HA 0.081 4.421 4.340 -0.000 0.000 0.273 159 L C 1.518 178.435 176.870 0.078 0.000 1.195 159 L CA 0.152 55.040 54.840 0.080 0.000 0.882 159 L CB 0.638 42.734 42.059 0.062 0.000 1.133 159 L HN 0.548 nan 8.230 nan 0.000 0.483 160 V N 4.335 124.295 119.914 0.077 0.000 2.568 160 V HA -0.186 3.934 4.120 -0.000 0.000 0.253 160 V C 2.036 178.151 176.094 0.035 0.000 1.072 160 V CA 2.390 64.727 62.300 0.061 0.000 1.084 160 V CB -0.230 31.624 31.823 0.052 0.000 0.676 160 V HN 1.064 nan 8.190 nan 0.000 0.469 161 G N -1.062 107.758 108.800 0.033 0.000 2.421 161 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.217 161 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.217 161 G C 1.379 176.298 174.900 0.030 0.000 1.143 161 G CA 0.783 45.897 45.100 0.024 0.000 0.784 161 G HN 0.607 nan 8.290 nan 0.000 0.541 162 E N -0.313 119.912 120.200 0.042 0.000 2.076 162 E HA 0.308 4.658 4.350 -0.000 0.000 0.190 162 E C 1.455 178.086 176.600 0.051 0.000 0.979 162 E CA 0.283 56.712 56.400 0.049 0.000 0.807 162 E CB -0.001 29.735 29.700 0.060 0.000 0.761 162 E HN 0.464 nan 8.360 nan 0.000 0.454 163 G N 0.280 109.114 108.800 0.056 0.000 2.756 163 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.678 163 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.678 163 G C -0.912 174.031 174.900 0.071 0.000 1.349 163 G CA -0.442 44.691 45.100 0.056 0.000 0.847 163 G HN 0.196 nan 8.290 nan 0.000 0.548 164 V N 0.191 120.144 119.914 0.064 0.000 2.823 164 V HA 0.860 4.980 4.120 -0.000 0.000 0.312 164 V C 0.230 176.335 176.094 0.020 0.000 1.072 164 V CA 0.015 62.359 62.300 0.074 0.000 0.937 164 V CB 2.474 34.352 31.823 0.091 0.000 1.013 164 V HN 1.274 nan 8.190 nan 0.000 0.430 165 T N 4.083 118.643 114.554 0.010 0.000 2.792 165 T HA 0.520 4.870 4.350 -0.000 0.000 0.280 165 T C -0.697 173.950 174.700 -0.088 0.000 0.990 165 T CA -0.271 61.736 62.100 -0.154 0.000 0.960 165 T CB 1.467 70.066 68.868 -0.450 0.000 0.939 165 T HN 0.399 nan 8.240 nan 0.000 0.439 166 V N 4.808 124.609 119.914 -0.189 0.000 2.383 166 V HA 0.479 4.598 4.120 -0.000 0.000 0.275 166 V C -0.301 175.675 176.094 -0.196 0.000 1.036 166 V CA -0.723 61.478 62.300 -0.165 0.000 0.889 166 V CB 1.159 32.789 31.823 -0.322 0.000 0.985 166 V HN 0.639 nan 8.190 nan 0.000 0.459 167 L N 4.805 125.986 121.223 -0.070 0.000 2.333 167 L HA 0.586 4.926 4.340 -0.000 0.000 0.280 167 L C 0.229 177.073 176.870 -0.044 0.000 1.004 167 L CA 0.277 55.070 54.840 -0.077 0.000 0.820 167 L CB 2.044 44.143 42.059 0.067 0.000 1.247 167 L HN 0.636 nan 8.230 nan 0.000 0.416 168 S N 5.680 121.341 115.700 -0.066 0.000 2.474 168 S HA 0.554 5.024 4.470 -0.000 0.000 0.276 168 S C -0.431 174.158 174.600 -0.018 0.000 1.227 168 S CA -0.490 57.687 58.200 -0.039 0.000 1.050 168 S CB -0.231 62.944 63.200 -0.042 0.000 0.939 168 S HN 0.586 nan 8.310 nan 0.000 0.490 169 L N 6.644 127.856 121.223 -0.018 0.000 2.331 169 L HA 0.555 4.895 4.340 -0.000 0.000 0.275 169 L C -1.679 175.164 176.870 -0.045 0.000 1.022 169 L CA -2.363 52.468 54.840 -0.015 0.000 0.812 169 L CB 1.473 43.517 42.059 -0.024 0.000 1.257 169 L HN 0.552 nan 8.230 nan 0.000 0.435 170 P HA -0.006 nan 4.420 nan 0.000 0.265 170 P C -0.480 176.664 177.300 -0.260 0.000 1.187 170 P CA 0.021 62.977 63.100 -0.240 0.000 0.766 170 P CB 0.661 32.038 31.700 -0.538 0.000 0.820 171 T N 0.701 115.087 114.554 -0.281 0.000 3.444 171 T HA 0.371 4.721 4.350 -0.000 0.000 0.265 171 T C -0.292 174.228 174.700 -0.300 0.000 1.537 171 T CA -0.025 61.935 62.100 -0.234 0.000 1.530 171 T CB -0.774 67.993 68.868 -0.168 0.000 0.958 171 T HN 0.812 nan 8.240 nan 0.000 0.684 172 S N 0.941 116.406 115.700 -0.391 0.000 3.054 172 S HA -0.103 4.367 4.470 -0.000 0.000 0.850 172 S C -1.076 173.226 174.600 -0.497 0.000 0.982 172 S CA -0.620 57.358 58.200 -0.369 0.000 1.324 172 S CB -0.711 62.344 63.200 -0.241 0.000 0.940 172 S HN 0.530 nan 8.310 nan 0.000 0.242 173 Y N 1.503 121.760 120.300 -0.071 0.000 2.699 173 Y HA 0.498 5.048 4.550 -0.000 0.000 0.326 173 Y C 1.079 176.934 175.900 -0.074 0.000 1.141 173 Y CA -0.273 57.782 58.100 -0.075 0.000 1.246 173 Y CB 0.699 39.112 38.460 -0.078 0.000 1.426 173 Y HN 0.833 nan 8.280 nan 0.000 0.559 174 D N 0.770 121.265 120.400 0.159 0.000 2.772 174 D HA -0.185 4.455 4.640 -0.000 0.000 0.233 174 D C -1.040 175.287 176.300 0.045 0.000 1.143 174 D CA 0.760 54.801 54.000 0.068 0.000 0.700 174 D CB -1.106 39.724 40.800 0.050 0.000 1.076 174 D HN 0.267 nan 8.370 nan 0.000 0.430 175 L N -0.017 121.231 121.223 0.042 0.000 2.395 175 L HA 0.447 4.787 4.340 -0.000 0.000 0.269 175 L C 1.782 178.727 176.870 0.125 0.000 1.133 175 L CA -0.056 54.803 54.840 0.032 0.000 0.812 175 L CB 1.004 43.038 42.059 -0.041 0.000 1.125 175 L HN 0.059 nan 8.230 nan 0.000 0.452 176 G N 0.667 109.606 108.800 0.231 0.000 2.572 176 G HA2 0.214 4.174 3.960 -0.000 0.000 0.261 176 G HA3 0.214 4.174 3.960 -0.000 0.000 0.261 176 G C -0.938 174.078 174.900 0.194 0.000 1.197 176 G CA -0.338 44.895 45.100 0.221 0.000 0.870 176 G HN 0.335 nan 8.290 nan 0.000 0.548 177 Y N -0.787 119.539 120.300 0.043 0.000 2.480 177 Y HA 0.272 4.822 4.550 -0.000 0.000 0.338 177 Y C 0.875 176.788 175.900 0.022 0.000 1.220 177 Y CA 0.238 58.357 58.100 0.032 0.000 1.430 177 Y CB 1.136 39.578 38.460 -0.029 0.000 1.311 177 Y HN 0.154 nan 8.280 nan 0.000 0.575 178 V N 4.556 124.518 119.914 0.080 0.000 2.483 178 V HA 0.372 4.492 4.120 -0.000 0.000 0.295 178 V C -0.111 176.048 176.094 0.109 0.000 1.035 178 V CA -1.169 61.081 62.300 -0.084 0.000 0.896 178 V CB 1.585 33.110 31.823 -0.496 0.000 0.986 178 V HN 0.568 nan 8.190 nan 0.000 0.447 179 R N 2.912 123.437 120.500 0.042 0.000 2.491 179 R HA 0.251 4.591 4.340 -0.000 0.000 0.283 179 R C 0.570 176.764 176.300 -0.177 0.000 1.072 179 R CA 0.249 56.209 56.100 -0.234 0.000 1.048 179 R CB 0.270 30.463 30.300 -0.177 0.000 0.983 179 R HN 0.698 nan 8.270 nan 0.000 0.450 180 L N 3.322 124.424 121.223 -0.201 0.000 2.599 180 L HA 0.212 4.552 4.340 -0.000 0.000 0.230 180 L C 1.084 177.927 176.870 -0.045 0.000 1.141 180 L CA 0.688 55.476 54.840 -0.087 0.000 0.877 180 L CB 0.029 42.056 42.059 -0.053 0.000 1.009 180 L HN 1.089 nan 8.230 nan 0.000 0.447 181 G N 0.832 109.589 108.800 -0.072 0.000 2.182 181 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.248 181 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.248 181 G C -0.057 174.819 174.900 -0.040 0.000 1.042 181 G CA 0.206 45.284 45.100 -0.038 0.000 0.775 181 G HN 0.544 nan 8.290 nan 0.000 0.501 182 D N 0.381 120.739 120.400 -0.071 0.000 2.372 182 D HA 0.366 5.006 4.640 -0.000 0.000 0.243 182 D C -1.977 174.290 176.300 -0.055 0.000 1.121 182 D CA -1.304 52.659 54.000 -0.062 0.000 0.898 182 D CB 1.419 42.165 40.800 -0.091 0.000 1.202 182 D HN 0.253 nan 8.370 nan 0.000 0.428 183 P HA 0.184 nan 4.420 nan 0.000 0.272 183 P C -0.089 177.187 177.300 -0.039 0.000 1.223 183 P CA -0.343 62.736 63.100 -0.035 0.000 0.784 183 P CB 0.894 32.578 31.700 -0.027 0.000 0.923 184 I N -1.203 119.347 120.570 -0.034 0.000 2.797 184 I HA 0.622 4.792 4.170 -0.000 0.000 0.307 184 I C -2.600 173.502 176.117 -0.025 0.000 1.033 184 I CA -3.471 57.809 61.300 -0.032 0.000 1.071 184 I CB 1.194 39.175 38.000 -0.032 0.000 1.255 184 I HN 0.032 nan 8.210 nan 0.000 0.445 185 P HA 0.340 nan 4.420 nan 0.000 0.262 185 P C -0.898 176.393 177.300 -0.016 0.000 1.199 185 P CA 0.178 63.267 63.100 -0.018 0.000 0.763 185 P CB 0.562 32.252 31.700 -0.016 0.000 0.790 186 A N 3.431 126.243 122.820 -0.014 0.000 2.604 186 A HA 0.780 5.100 4.320 -0.000 0.000 0.295 186 A C -1.113 176.465 177.584 -0.010 0.000 1.067 186 A CA -0.666 51.363 52.037 -0.012 0.000 0.683 186 A CB 1.158 20.150 19.000 -0.013 0.000 1.281 186 A HN 0.546 nan 8.150 nan 0.000 0.407 187 I N -1.261 119.303 120.570 -0.009 0.000 2.686 187 I HA 0.959 5.129 4.170 -0.000 0.000 0.295 187 I C -0.061 176.052 176.117 -0.007 0.000 1.114 187 I CA -0.832 60.463 61.300 -0.008 0.000 1.038 187 I CB 2.357 40.353 38.000 -0.007 0.000 1.238 187 I HN 1.055 nan 8.210 nan 0.000 0.420 188 G N 3.884 112.680 108.800 -0.006 0.000 2.698 188 G HA2 0.471 4.431 3.960 -0.000 0.000 0.293 188 G HA3 0.471 4.431 3.960 -0.000 0.000 0.293 188 G C -0.110 174.787 174.900 -0.005 0.000 1.437 188 G CA -0.904 44.193 45.100 -0.006 0.000 0.852 188 G HN 0.722 nan 8.290 nan 0.000 0.499 189 L N -0.396 120.824 121.223 -0.004 0.000 2.131 189 L HA 0.031 4.371 4.340 -0.000 0.000 0.210 189 L C 0.939 177.807 176.870 -0.004 0.000 1.092 189 L CA 0.769 55.607 54.840 -0.004 0.000 0.759 189 L CB 0.028 42.084 42.059 -0.004 0.000 0.903 189 L HN 0.376 nan 8.230 nan 0.000 0.435 190 D N 0.535 120.932 120.400 -0.004 0.000 2.317 190 D HA 0.070 4.710 4.640 -0.000 0.000 0.252 190 D C -1.424 174.874 176.300 -0.003 0.000 1.174 190 D CA -2.032 51.966 54.000 -0.004 0.000 0.866 190 D CB 1.516 42.313 40.800 -0.004 0.000 1.127 190 D HN -0.034 nan 8.370 nan 0.000 0.467 191 P HA -0.077 nan 4.420 nan 0.000 0.226 191 P C 0.354 177.653 177.300 -0.002 0.000 1.153 191 P CA 0.678 63.777 63.100 -0.002 0.000 0.777 191 P CB 0.393 32.092 31.700 -0.001 0.000 0.794 192 K N -0.678 119.721 120.400 -0.002 0.000 2.469 192 K HA 0.181 4.501 4.320 -0.000 0.000 0.201 192 K C 1.134 177.733 176.600 -0.002 0.000 1.028 192 K CA -0.272 56.014 56.287 -0.001 0.000 1.170 192 K CB -0.130 32.370 32.500 -0.000 0.000 0.874 192 K HN 0.220 nan 8.250 nan 0.000 0.507 193 M N 2.076 121.674 119.600 -0.003 0.000 2.228 193 M HA 0.080 4.560 4.480 -0.000 0.000 0.351 193 M C -0.958 175.339 176.300 -0.005 0.000 1.233 193 M CA 0.363 55.660 55.300 -0.005 0.000 1.129 193 M CB 0.671 33.267 32.600 -0.006 0.000 1.604 193 M HN -0.204 nan 8.290 nan 0.000 0.457 194 V N 4.239 124.150 119.914 -0.006 0.000 2.709 194 V HA 0.831 4.951 4.120 -0.000 0.000 0.308 194 V C -0.674 175.414 176.094 -0.010 0.000 1.062 194 V CA -0.860 61.436 62.300 -0.007 0.000 0.901 194 V CB 1.625 33.445 31.823 -0.004 0.000 1.003 194 V HN 0.965 nan 8.190 nan 0.000 0.425 195 A N 2.961 125.772 122.820 -0.014 0.000 2.375 195 A HA 0.940 5.260 4.320 -0.000 0.000 0.295 195 A C -0.287 177.282 177.584 -0.025 0.000 1.066 195 A CA -0.234 51.792 52.037 -0.019 0.000 0.722 195 A CB 1.817 20.805 19.000 -0.019 0.000 1.206 195 A HN 1.069 nan 8.150 nan 0.000 0.435 196 T N -1.923 112.612 114.554 -0.031 0.000 2.864 196 T HA 0.576 4.926 4.350 -0.000 0.000 0.299 196 T C -0.788 173.880 174.700 -0.053 0.000 1.166 196 T CA -0.702 61.375 62.100 -0.039 0.000 1.007 196 T CB 1.317 70.166 68.868 -0.032 0.000 1.219 196 T HN 1.245 nan 8.240 nan 0.000 0.506 197 C N 2.608 121.868 119.300 -0.066 0.000 2.264 197 C HA 0.643 5.103 4.460 -0.000 0.000 0.324 197 C C -0.610 174.327 174.990 -0.088 0.000 1.267 197 C CA -0.404 58.566 59.018 -0.079 0.000 1.618 197 C CB -1.265 26.420 27.740 -0.091 0.000 2.278 197 C HN 0.878 nan 8.230 nan 0.000 0.499 198 D N 2.731 123.082 120.400 -0.082 0.000 2.294 198 D HA 0.233 4.873 4.640 -0.000 0.000 0.250 198 D C 0.013 176.284 176.300 -0.048 0.000 1.058 198 D CA 0.216 54.178 54.000 -0.063 0.000 0.950 198 D CB 1.627 42.390 40.800 -0.062 0.000 1.158 198 D HN 0.632 nan 8.370 nan 0.000 0.453 199 S N -0.108 115.576 115.700 -0.026 0.000 2.546 199 S HA 0.128 4.598 4.470 -0.000 0.000 0.290 199 S C 0.865 175.481 174.600 0.026 0.000 1.262 199 S CA 0.296 58.475 58.200 -0.035 0.000 1.083 199 S CB 0.040 63.206 63.200 -0.057 0.000 0.859 199 S HN 0.464 nan 8.310 nan 0.000 0.495 200 S N 2.428 118.145 115.700 0.030 0.000 2.918 200 S HA 0.202 4.672 4.470 -0.000 0.000 0.264 200 S C -0.382 174.270 174.600 0.087 0.000 1.078 200 S CA -0.377 57.875 58.200 0.086 0.000 0.918 200 S CB -0.642 62.592 63.200 0.055 0.000 0.882 200 S HN 0.665 nan 8.310 nan 0.000 0.466 201 D N 3.445 123.885 120.400 0.067 0.000 2.506 201 D HA 0.264 4.904 4.640 -0.000 0.000 0.234 201 D C 0.177 176.542 176.300 0.110 0.000 1.143 201 D CA 0.652 54.703 54.000 0.086 0.000 0.871 201 D CB 0.008 40.866 40.800 0.096 0.000 1.190 201 D HN 0.176 nan 8.370 nan 0.000 0.459 202 R N -0.727 119.832 120.500 0.097 0.000 3.184 202 R HA -0.102 4.238 4.340 -0.000 0.000 0.257 202 R C -2.460 173.875 176.300 0.059 0.000 0.999 202 R CA 0.018 56.169 56.100 0.084 0.000 0.670 202 R CB -2.024 28.359 30.300 0.139 0.000 1.197 202 R HN 0.463 nan 8.270 nan 0.000 0.419 203 P HA 0.065 nan 4.420 nan 0.000 0.272 203 P C -0.223 177.050 177.300 -0.045 0.000 1.223 203 P CA -0.065 63.039 63.100 0.008 0.000 0.784 203 P CB 0.713 32.419 31.700 0.010 0.000 0.923 204 R N 1.343 121.792 120.500 -0.086 0.000 2.474 204 R HA 0.547 4.887 4.340 -0.000 0.000 0.295 204 R C -1.387 174.782 176.300 -0.219 0.000 0.980 204 R CA -0.731 55.263 56.100 -0.177 0.000 0.934 204 R CB 0.940 31.116 30.300 -0.207 0.000 1.101 204 R HN 0.271 nan 8.270 nan 0.000 0.469 205 V N 5.039 124.786 119.914 -0.277 0.000 2.588 205 V HA 0.384 4.504 4.120 -0.000 0.000 0.304 205 V C -1.331 174.611 176.094 -0.254 0.000 1.042 205 V CA -0.711 61.471 62.300 -0.197 0.000 0.877 205 V CB 1.618 33.380 31.823 -0.102 0.000 0.996 205 V HN 0.703 nan 8.190 nan 0.000 0.425 206 Y N 1.606 121.875 120.300 -0.053 0.000 2.352 206 Y HA 0.609 5.159 4.550 0.000 0.000 0.339 206 Y C 0.652 176.503 175.900 -0.082 0.000 0.992 206 Y CA -0.595 57.471 58.100 -0.056 0.000 1.100 206 Y CB 2.202 40.635 38.460 -0.045 0.000 1.192 206 Y HN 0.510 nan 8.280 nan 0.000 0.458 207 T N 5.389 119.983 114.554 0.067 0.000 2.791 207 T HA 0.560 4.910 4.350 -0.000 0.000 0.288 207 T C -0.473 174.175 174.700 -0.087 0.000 0.999 207 T CA -0.503 61.578 62.100 -0.031 0.000 0.952 207 T CB 0.215 69.056 68.868 -0.045 0.000 0.938 207 T HN 0.380 nan 8.240 nan 0.000 0.444 208 I N 2.852 123.313 120.570 -0.181 0.000 2.382 208 I HA 0.273 4.443 4.170 -0.000 0.000 0.286 208 I C 0.264 176.178 176.117 -0.339 0.000 1.002 208 I CA -0.655 60.457 61.300 -0.313 0.000 1.135 208 I CB 1.678 39.357 38.000 -0.535 0.000 1.288 208 I HN 0.449 nan 8.210 nan 0.000 0.448 209 T N 5.779 120.174 114.554 -0.266 0.000 2.891 209 T HA 0.257 4.607 4.350 -0.000 0.000 0.315 209 T C 1.137 175.686 174.700 -0.253 0.000 1.054 209 T CA -0.283 61.690 62.100 -0.212 0.000 0.958 209 T CB 1.248 70.040 68.868 -0.127 0.000 1.008 209 T HN 0.765 nan 8.240 nan 0.000 0.521 210 A N 3.088 125.728 122.820 -0.300 0.000 1.968 210 A HA 0.544 4.864 4.320 -0.000 0.000 0.217 210 A C 1.228 178.777 177.584 -0.058 0.000 1.169 210 A CA 0.710 52.610 52.037 -0.229 0.000 0.638 210 A CB 0.066 19.024 19.000 -0.070 0.000 0.812 210 A HN 0.862 nan 8.150 nan 0.000 0.446 211 A N -1.011 121.783 122.820 -0.044 0.000 2.547 211 A HA 0.559 4.879 4.320 -0.000 0.000 0.297 211 A C -1.833 175.763 177.584 0.020 0.000 1.056 211 A CA -0.234 51.823 52.037 0.033 0.000 0.688 211 A CB 1.164 20.227 19.000 0.105 0.000 1.282 211 A HN 0.051 nan 8.150 nan 0.000 0.400 212 D N 1.830 122.274 120.400 0.073 0.000 2.405 212 D HA 0.321 4.961 4.640 -0.000 0.000 0.264 212 D C -0.538 175.821 176.300 0.097 0.000 1.240 212 D CA 0.278 54.309 54.000 0.051 0.000 0.893 212 D CB 0.160 40.979 40.800 0.033 0.000 1.198 212 D HN 0.516 nan 8.370 nan 0.000 0.514 213 D N 1.940 122.401 120.400 0.101 0.000 2.716 213 D HA -0.274 4.366 4.640 -0.000 0.000 0.239 213 D C -0.823 175.584 176.300 0.178 0.000 1.125 213 D CA 0.379 54.453 54.000 0.123 0.000 0.681 213 D CB -1.134 39.721 40.800 0.093 0.000 1.070 213 D HN 0.468 nan 8.370 nan 0.000 0.432 214 Y N 1.086 121.461 120.300 0.125 0.000 2.377 214 Y HA 0.327 4.877 4.550 -0.000 0.000 0.330 214 Y C 0.403 176.431 175.900 0.212 0.000 1.108 214 Y CA 0.084 58.282 58.100 0.164 0.000 1.308 214 Y CB 0.671 39.255 38.460 0.206 0.000 1.216 214 Y HN -0.006 nan 8.280 nan 0.000 0.518 215 Q N 6.597 126.031 119.800 -0.610 0.000 2.331 215 Q HA 0.274 4.614 4.340 -0.000 0.000 0.257 215 Q C -1.598 173.882 176.000 -0.866 0.000 0.957 215 Q CA -0.600 54.896 55.803 -0.513 0.000 0.923 215 Q CB 1.058 29.636 28.738 -0.266 0.000 1.212 215 Q HN 0.683 nan 8.270 nan 0.000 0.443 216 F N 1.906 121.323 119.950 -0.888 0.000 2.436 216 F HA 0.611 5.138 4.527 -0.000 0.000 0.340 216 F C -0.659 174.751 175.800 -0.651 0.000 1.113 216 F CA -0.356 57.074 58.000 -0.949 0.000 1.022 216 F CB 1.508 39.441 39.000 -1.779 0.000 1.128 216 F HN 0.371 nan 8.300 nan 0.000 0.466 217 S N 4.376 119.315 115.700 -1.268 0.000 2.572 217 S HA 0.705 5.175 4.470 -0.000 0.000 0.274 217 S C -1.383 172.635 174.600 -0.970 0.000 1.150 217 S CA -0.376 57.257 58.200 -0.945 0.000 0.944 217 S CB 1.292 64.207 63.200 -0.476 0.000 1.071 217 S HN 0.971 nan 8.310 nan 0.000 0.479 218 S N 2.888 118.162 115.700 -0.710 0.000 2.552 218 S HA 0.416 4.886 4.470 -0.000 0.000 0.272 218 S C -1.904 172.590 174.600 -0.176 0.000 1.150 218 S CA -0.610 57.332 58.200 -0.430 0.000 0.849 218 S CB 1.446 64.360 63.200 -0.476 0.000 1.113 218 S HN 0.693 nan 8.310 nan 0.000 0.458 219 Q N 2.119 121.861 119.800 -0.097 0.000 2.364 219 Q HA 0.165 4.505 4.340 -0.000 0.000 0.267 219 Q C -0.443 175.582 176.000 0.042 0.000 0.999 219 Q CA 0.140 55.938 55.803 -0.008 0.000 0.886 219 Q CB 0.348 29.080 28.738 -0.010 0.000 1.243 219 Q HN 0.749 nan 8.270 nan 0.000 0.415 220 Y N 2.019 122.321 120.300 0.004 0.000 2.641 220 Y HA -0.050 4.500 4.550 -0.000 0.000 0.351 220 Y C -0.156 175.762 175.900 0.029 0.000 1.269 220 Y CA 0.705 58.823 58.100 0.030 0.000 1.485 220 Y CB 0.520 38.998 38.460 0.029 0.000 1.364 220 Y HN 0.613 nan 8.280 nan 0.000 0.651 221 Q N 3.306 122.293 119.800 -1.356 0.000 2.430 221 Q HA 0.306 4.646 4.340 -0.000 0.000 0.253 221 Q C -1.430 173.963 176.000 -1.011 0.000 0.945 221 Q CA -0.566 54.688 55.803 -0.916 0.000 0.964 221 Q CB 1.052 29.580 28.738 -0.349 0.000 1.460 221 Q HN 0.916 nan 8.270 nan 0.000 0.428 222 S N 1.952 117.268 115.700 -0.640 0.000 2.558 222 S HA 0.484 4.954 4.470 -0.000 0.000 0.288 222 S C 1.146 175.659 174.600 -0.144 0.000 1.318 222 S CA 0.949 59.020 58.200 -0.215 0.000 1.056 222 S CB 0.935 64.138 63.200 0.005 0.000 0.853 222 S HN 1.646 nan 8.310 nan 0.000 0.505 223 G N 1.854 110.621 108.800 -0.055 0.000 2.199 223 G HA2 0.221 4.181 3.960 -0.000 0.000 0.254 223 G HA3 0.221 4.181 3.960 -0.000 0.000 0.254 223 G C 1.271 176.150 174.900 -0.035 0.000 0.982 223 G CA 0.357 45.438 45.100 -0.032 0.000 0.632 223 G HN 2.639 nan 8.290 nan 0.000 0.529 224 G N -2.326 106.431 108.800 -0.072 0.000 2.795 224 G HA2 0.258 4.218 3.960 -0.000 0.000 0.664 224 G HA3 0.258 4.218 3.960 -0.000 0.000 0.664 224 G C -0.383 174.512 174.900 -0.008 0.000 1.381 224 G CA 0.045 45.131 45.100 -0.024 0.000 0.853 224 G HN 1.599 nan 8.290 nan 0.000 0.545 225 V N 0.626 120.577 119.914 0.060 0.000 2.448 225 V HA 0.707 4.827 4.120 -0.000 0.000 0.295 225 V C 0.532 176.690 176.094 0.107 0.000 1.025 225 V CA -0.235 62.129 62.300 0.106 0.000 0.859 225 V CB 1.769 33.727 31.823 0.225 0.000 0.988 225 V HN 1.038 nan 8.190 nan 0.000 0.431 226 T N 6.468 121.072 114.554 0.082 0.000 2.829 226 T HA 0.761 5.111 4.350 -0.000 0.000 0.282 226 T C -0.224 174.530 174.700 0.090 0.000 0.990 226 T CA -0.164 61.976 62.100 0.065 0.000 1.028 226 T CB 1.060 69.950 68.868 0.037 0.000 0.951 226 T HN 0.695 nan 8.240 nan 0.000 0.460 227 I N -0.931 119.691 120.570 0.087 0.000 2.828 227 I HA 0.694 4.864 4.170 -0.000 0.000 0.302 227 I C -0.752 175.396 176.117 0.051 0.000 1.101 227 I CA -0.950 60.413 61.300 0.105 0.000 1.031 227 I CB 2.534 40.653 38.000 0.198 0.000 1.231 227 I HN 0.332 nan 8.210 nan 0.000 0.427 228 T N 5.001 119.564 114.554 0.015 0.000 2.801 228 T HA 0.266 4.616 4.350 -0.000 0.000 0.306 228 T C 0.688 175.362 174.700 -0.044 0.000 1.020 228 T CA -0.308 61.760 62.100 -0.054 0.000 0.948 228 T CB 1.346 70.155 68.868 -0.099 0.000 0.962 228 T HN 0.598 nan 8.240 nan 0.000 0.465 229 L N 4.223 125.421 121.223 -0.042 0.000 2.046 229 L HA 0.221 4.561 4.340 -0.000 0.000 0.208 229 L C 0.189 177.095 176.870 0.060 0.000 1.077 229 L CA 1.830 56.679 54.840 0.015 0.000 0.747 229 L CB -0.357 41.789 42.059 0.145 0.000 0.896 229 L HN 0.741 nan 8.230 nan 0.000 0.432 230 F N -3.718 116.220 119.950 -0.020 0.000 2.773 230 F HA 0.620 5.147 4.527 -0.000 0.000 0.314 230 F C -0.762 175.025 175.800 -0.021 0.000 1.160 230 F CA -0.986 56.995 58.000 -0.033 0.000 0.920 230 F CB 0.669 39.644 39.000 -0.043 0.000 1.323 230 F HN -0.328 nan 8.300 nan 0.000 0.457 231 S N 1.149 116.944 115.700 0.158 0.000 2.614 231 S HA 0.885 5.355 4.470 -0.000 0.000 0.275 231 S C -1.456 173.256 174.600 0.187 0.000 1.161 231 S CA 0.150 58.392 58.200 0.070 0.000 0.969 231 S CB 1.096 64.279 63.200 -0.027 0.000 1.059 231 S HN 1.645 nan 8.310 nan 0.000 0.482 232 A N 4.011 126.938 122.820 0.178 0.000 2.475 232 A HA 0.766 5.086 4.320 -0.000 0.000 0.301 232 A C -1.031 176.551 177.584 -0.003 0.000 1.059 232 A CA -0.887 51.200 52.037 0.083 0.000 0.710 232 A CB 1.100 20.138 19.000 0.063 0.000 1.288 232 A HN 0.716 nan 8.150 nan 0.000 0.408 233 N N 1.056 119.741 118.700 -0.025 0.000 2.488 233 N HA 0.599 5.339 4.740 -0.000 0.000 0.274 233 N C -0.327 175.087 175.510 -0.159 0.000 1.111 233 N CA 0.179 53.205 53.050 -0.040 0.000 0.974 233 N CB 0.794 39.290 38.487 0.015 0.000 1.089 233 N HN 0.745 nan 8.380 nan 0.000 0.465 234 I N -2.257 118.197 120.570 -0.193 0.000 3.195 234 I HA 0.595 4.765 4.170 -0.000 0.000 0.313 234 I C -1.296 174.784 176.117 -0.062 0.000 1.237 234 I CA -0.937 60.116 61.300 -0.411 0.000 0.963 234 I CB 2.792 40.334 38.000 -0.763 0.000 1.278 234 I HN 0.052 nan 8.210 nan 0.000 0.460 235 D N 2.141 122.604 120.400 0.106 0.000 2.646 235 D HA 0.731 5.371 4.640 -0.000 0.000 0.245 235 D C -1.167 175.212 176.300 0.132 0.000 1.099 235 D CA -0.253 53.831 54.000 0.140 0.000 0.849 235 D CB 2.441 43.353 40.800 0.187 0.000 1.448 235 D HN 0.922 nan 8.370 nan 0.000 0.489 236 A N 1.874 124.737 122.820 0.072 0.000 2.540 236 A HA 0.530 4.850 4.320 -0.000 0.000 0.297 236 A C -0.318 177.264 177.584 -0.004 0.000 1.056 236 A CA -0.509 51.557 52.037 0.050 0.000 0.700 236 A CB 0.931 19.962 19.000 0.053 0.000 1.280 236 A HN 0.552 nan 8.150 nan 0.000 0.398 237 I N 0.416 120.967 120.570 -0.031 0.000 3.971 237 I HA 0.125 4.295 4.170 -0.000 0.000 0.303 237 I C 1.253 177.345 176.117 -0.041 0.000 1.233 237 I CA 1.117 62.353 61.300 -0.107 0.000 1.346 237 I CB 0.721 38.561 38.000 -0.266 0.000 1.273 237 I HN 0.808 nan 8.210 nan 0.000 0.448 238 T N -1.528 113.044 114.554 0.030 0.000 2.762 238 T HA 0.408 4.758 4.350 -0.000 0.000 0.272 238 T C 0.307 175.059 174.700 0.087 0.000 0.982 238 T CA -0.452 61.686 62.100 0.064 0.000 1.013 238 T CB 1.077 70.014 68.868 0.115 0.000 1.309 238 T HN 0.131 nan 8.240 nan 0.000 0.572 239 S N 0.563 116.332 115.700 0.114 0.000 2.554 239 S HA 0.345 4.815 4.470 -0.000 0.000 0.290 239 S C 0.025 174.774 174.600 0.248 0.000 1.309 239 S CA -0.335 57.967 58.200 0.170 0.000 1.047 239 S CB -0.977 62.323 63.200 0.166 0.000 0.828 239 S HN 1.269 nan 8.310 nan 0.000 0.509 240 L N -1.108 120.236 121.223 0.202 0.000 2.568 240 L HA 0.926 5.266 4.340 -0.000 0.000 0.257 240 L C -0.900 176.026 176.870 0.095 0.000 1.024 240 L CA -1.016 53.848 54.840 0.040 0.000 0.854 240 L CB 1.787 43.856 42.059 0.016 0.000 1.460 240 L HN 0.605 nan 8.230 nan 0.000 0.409 241 S N 0.887 116.589 115.700 0.004 0.000 2.548 241 S HA 0.807 5.277 4.470 -0.000 0.000 0.286 241 S C -0.764 173.866 174.600 0.050 0.000 1.098 241 S CA -0.465 57.785 58.200 0.085 0.000 0.930 241 S CB 1.819 65.100 63.200 0.135 0.000 1.070 241 S HN 0.541 nan 8.310 nan 0.000 0.480 242 I N 1.866 122.485 120.570 0.082 0.000 2.439 242 I HA 0.627 4.797 4.170 -0.000 0.000 0.285 242 I C 0.401 176.584 176.117 0.111 0.000 1.021 242 I CA -0.228 61.119 61.300 0.078 0.000 1.091 242 I CB 1.890 39.959 38.000 0.115 0.000 1.242 242 I HN 0.762 nan 8.210 nan 0.000 0.439 243 G N 3.024 111.853 108.800 0.049 0.000 2.714 243 G HA2 0.898 4.858 3.960 -0.000 0.000 0.292 243 G HA3 0.898 4.858 3.960 -0.000 0.000 0.292 243 G C -0.493 174.398 174.900 -0.016 0.000 1.308 243 G CA -0.489 44.659 45.100 0.079 0.000 0.964 243 G HN 0.989 nan 8.290 nan 0.000 0.484 244 G N -1.181 107.651 108.800 0.053 0.000 2.316 244 G HA2 0.417 4.377 3.960 -0.000 0.000 0.349 244 G HA3 0.417 4.377 3.960 -0.000 0.000 0.349 244 G C -1.119 173.892 174.900 0.185 0.000 1.274 244 G CA 0.122 45.210 45.100 -0.019 0.000 1.018 244 G HN 1.030 nan 8.290 nan 0.000 0.486 245 E N -1.263 119.005 120.200 0.112 0.000 2.378 245 E HA 0.568 4.918 4.350 -0.000 0.000 0.283 245 E C -1.321 175.370 176.600 0.151 0.000 0.979 245 E CA -0.771 55.778 56.400 0.249 0.000 0.795 245 E CB 1.569 31.339 29.700 0.118 0.000 1.221 245 E HN 0.614 nan 8.360 nan 0.000 0.428 246 L N 3.308 124.659 121.223 0.213 0.000 2.329 246 L HA 0.639 4.979 4.340 -0.000 0.000 0.279 246 L C -0.821 175.930 176.870 -0.198 0.000 1.014 246 L CA -1.192 53.614 54.840 -0.057 0.000 0.814 246 L CB 1.881 43.927 42.059 -0.021 0.000 1.257 246 L HN 0.349 nan 8.230 nan 0.000 0.424 247 V N 3.117 122.794 119.914 -0.395 0.000 2.409 247 V HA 0.431 4.551 4.120 -0.000 0.000 0.291 247 V C -0.570 175.155 176.094 -0.615 0.000 1.020 247 V CA -0.440 61.651 62.300 -0.348 0.000 0.848 247 V CB 1.479 33.141 31.823 -0.269 0.000 0.990 247 V HN 0.374 nan 8.190 nan 0.000 0.430 248 F N 2.970 122.777 119.950 -0.238 0.000 2.450 248 F HA 0.612 5.139 4.527 -0.000 0.000 0.332 248 F C 0.472 176.222 175.800 -0.082 0.000 1.093 248 F CA -0.378 57.493 58.000 -0.215 0.000 1.003 248 F CB 1.383 40.203 39.000 -0.302 0.000 1.151 248 F HN 0.478 nan 8.300 nan 0.000 0.474 249 H N -0.043 119.178 119.070 0.252 0.000 2.622 249 H HA 0.640 5.196 4.556 -0.000 0.000 0.363 249 H C -0.681 174.793 175.328 0.243 0.000 1.151 249 H CA -0.932 55.228 56.048 0.186 0.000 1.184 249 H CB 2.451 32.293 29.762 0.134 0.000 1.643 249 H HN 0.593 nan 8.280 nan 0.000 0.531 250 T N 0.262 114.989 114.554 0.288 0.000 2.885 250 T HA 0.184 4.534 4.350 -0.000 0.000 0.322 250 T C -0.018 174.739 174.700 0.096 0.000 1.387 250 T CA -0.540 61.693 62.100 0.222 0.000 1.041 250 T CB 1.498 70.502 68.868 0.227 0.000 1.287 250 T HN 0.544 nan 8.240 nan 0.000 0.491 251 S N 0.982 116.729 115.700 0.079 0.000 2.505 251 S HA 0.276 4.746 4.470 -0.000 0.000 0.216 251 S C 0.516 175.127 174.600 0.017 0.000 1.018 251 S CA -0.114 58.107 58.200 0.034 0.000 0.911 251 S CB 0.462 63.693 63.200 0.053 0.000 0.818 251 S HN 0.574 nan 8.310 nan 0.000 0.497 252 V N 3.325 123.264 119.914 0.040 0.000 2.686 252 V HA 0.251 4.371 4.120 -0.000 0.000 0.295 252 V C 0.081 176.153 176.094 -0.036 0.000 1.057 252 V CA -0.564 61.776 62.300 0.067 0.000 1.012 252 V CB 0.851 32.739 31.823 0.107 0.000 1.006 252 V HN 0.441 nan 8.190 nan 0.000 0.477 253 H N 2.058 121.164 119.070 0.061 0.000 2.496 253 H HA 0.381 4.937 4.556 -0.000 0.000 0.342 253 H C 1.162 176.520 175.328 0.050 0.000 1.170 253 H CA 0.567 56.645 56.048 0.050 0.000 1.274 253 H CB 1.560 31.340 29.762 0.031 0.000 1.538 253 H HN 0.939 nan 8.280 nan 0.000 0.542 254 G N 1.856 110.740 108.800 0.140 0.000 2.153 254 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.252 254 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.252 254 G C 0.071 175.022 174.900 0.086 0.000 0.994 254 G CA 0.077 45.237 45.100 0.100 0.000 0.698 254 G HN 0.412 nan 8.290 nan 0.000 0.521 255 L N 0.145 121.417 121.223 0.083 0.000 2.375 255 L HA 0.728 5.068 4.340 -0.000 0.000 0.271 255 L C 0.649 177.539 176.870 0.034 0.000 1.107 255 L CA -0.132 54.765 54.840 0.096 0.000 0.806 255 L CB 1.667 43.818 42.059 0.153 0.000 1.146 255 L HN 0.367 nan 8.230 nan 0.000 0.447 256 A N 4.001 126.833 122.820 0.020 0.000 2.449 256 A HA 0.836 5.156 4.320 -0.000 0.000 0.302 256 A C -1.020 176.508 177.584 -0.092 0.000 1.048 256 A CA -0.541 51.469 52.037 -0.045 0.000 0.708 256 A CB 1.368 20.355 19.000 -0.022 0.000 1.274 256 A HN 0.607 nan 8.150 nan 0.000 0.410 257 L N 1.195 122.304 121.223 -0.190 0.000 2.334 257 L HA 0.607 4.947 4.340 -0.000 0.000 0.273 257 L C -1.100 175.653 176.870 -0.194 0.000 1.013 257 L CA -0.933 53.752 54.840 -0.257 0.000 0.816 257 L CB 2.082 43.821 42.059 -0.533 0.000 1.278 257 L HN 0.563 nan 8.230 nan 0.000 0.431 258 D N 1.521 121.826 120.400 -0.158 0.000 2.649 258 D HA 0.704 5.344 4.640 -0.000 0.000 0.249 258 D C -0.958 175.272 176.300 -0.118 0.000 1.112 258 D CA -0.049 53.880 54.000 -0.118 0.000 0.850 258 D CB 2.322 43.081 40.800 -0.068 0.000 1.399 258 D HN 0.619 nan 8.370 nan 0.000 0.503 259 A N 1.652 124.399 122.820 -0.123 0.000 2.393 259 A HA 0.810 5.130 4.320 -0.000 0.000 0.306 259 A C -0.652 176.876 177.584 -0.093 0.000 1.050 259 A CA -0.557 51.424 52.037 -0.093 0.000 0.724 259 A CB 1.490 20.418 19.000 -0.119 0.000 1.248 259 A HN 0.377 nan 8.150 nan 0.000 0.424 260 T N 2.337 116.864 114.554 -0.046 0.000 2.912 260 T HA 0.538 4.887 4.350 -0.000 0.000 0.299 260 T C -0.696 173.952 174.700 -0.086 0.000 1.052 260 T CA -0.440 61.581 62.100 -0.131 0.000 0.996 260 T CB 1.194 69.922 68.868 -0.234 0.000 1.070 260 T HN 0.455 nan 8.240 nan 0.000 0.465 261 I N 2.661 123.138 120.570 -0.154 0.000 2.392 261 I HA 0.445 4.615 4.170 -0.000 0.000 0.295 261 I C -1.017 174.994 176.117 -0.177 0.000 0.985 261 I CA -0.920 60.365 61.300 -0.025 0.000 1.221 261 I CB 1.171 39.217 38.000 0.077 0.000 1.366 261 I HN 0.671 nan 8.210 nan 0.000 0.467 262 Y N 5.683 125.967 120.300 -0.026 0.000 2.409 262 Y HA 0.524 5.074 4.550 -0.000 0.000 0.343 262 Y C -0.147 175.741 175.900 -0.020 0.000 0.973 262 Y CA -0.793 57.291 58.100 -0.026 0.000 1.064 262 Y CB 1.763 40.197 38.460 -0.043 0.000 1.207 262 Y HN 0.252 nan 8.280 nan 0.000 0.452 263 L N 5.192 126.494 121.223 0.133 0.000 2.305 263 L HA 0.518 4.858 4.340 -0.000 0.000 0.284 263 L C -0.821 176.093 176.870 0.074 0.000 1.013 263 L CA -0.683 54.203 54.840 0.077 0.000 0.819 263 L CB 1.005 43.092 42.059 0.046 0.000 1.227 263 L HN 0.489 nan 8.230 nan 0.000 0.417 264 I N 2.030 122.632 120.570 0.054 0.000 2.498 264 I HA 0.449 4.619 4.170 -0.000 0.000 0.301 264 I C 0.839 176.982 176.117 0.043 0.000 0.984 264 I CA -0.252 61.072 61.300 0.040 0.000 1.204 264 I CB 1.566 39.574 38.000 0.013 0.000 1.362 264 I HN 0.540 nan 8.210 nan 0.000 0.471 265 G N 2.511 111.340 108.800 0.048 0.000 2.528 265 G HA2 0.238 4.198 3.960 -0.000 0.000 0.289 265 G HA3 0.238 4.198 3.960 -0.000 0.000 0.289 265 G C 0.294 175.275 174.900 0.134 0.000 1.192 265 G CA -0.363 44.787 45.100 0.084 0.000 0.921 265 G HN 0.592 nan 8.290 nan 0.000 0.512 266 F N 0.629 120.583 119.950 0.006 0.000 2.250 266 F HA -0.128 4.399 4.527 0.000 0.000 0.301 266 F C 2.124 177.886 175.800 -0.063 0.000 1.077 266 F CA 1.887 59.831 58.000 -0.093 0.000 1.348 266 F CB 0.239 39.059 39.000 -0.300 0.000 1.040 266 F HN 0.435 nan 8.300 nan 0.000 0.509 267 D N -1.129 119.339 120.400 0.113 0.000 2.328 267 D HA 0.167 4.807 4.640 -0.000 0.000 0.226 267 D C 1.840 178.139 176.300 -0.001 0.000 1.066 267 D CA 0.720 54.755 54.000 0.058 0.000 0.861 267 D CB -0.453 40.521 40.800 0.290 0.000 0.912 267 D HN 0.385 nan 8.370 nan 0.000 0.521 268 G N -0.718 108.065 108.800 -0.028 0.000 2.225 268 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.254 268 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.254 268 G C 0.565 175.462 174.900 -0.005 0.000 0.988 268 G CA 0.384 45.463 45.100 -0.035 0.000 0.625 268 G HN 0.501 nan 8.290 nan 0.000 0.527 269 T N 2.022 116.593 114.554 0.029 0.000 2.918 269 T HA 0.483 4.833 4.350 -0.000 0.000 0.302 269 T C 0.722 175.443 174.700 0.036 0.000 1.045 269 T CA 0.901 63.024 62.100 0.037 0.000 1.114 269 T CB 0.804 69.710 68.868 0.065 0.000 0.965 269 T HN 0.229 nan 8.240 nan 0.000 0.540 270 T N 3.118 117.699 114.554 0.046 0.000 2.794 270 T HA 0.221 4.571 4.350 -0.000 0.000 0.296 270 T C 1.325 176.059 174.700 0.055 0.000 0.949 270 T CA -0.584 61.562 62.100 0.075 0.000 1.101 270 T CB 0.987 69.935 68.868 0.133 0.000 0.905 270 T HN 0.360 nan 8.240 nan 0.000 0.516 271 V N 3.509 123.450 119.914 0.045 0.000 2.922 271 V HA 0.281 4.401 4.120 -0.000 0.000 0.242 271 V C 0.551 176.653 176.094 0.014 0.000 1.094 271 V CA 0.660 62.968 62.300 0.013 0.000 1.106 271 V CB 0.108 31.924 31.823 -0.011 0.000 0.799 271 V HN 0.710 nan 8.190 nan 0.000 0.474 272 I N 0.544 121.130 120.570 0.026 0.000 2.722 272 I HA 0.442 4.612 4.170 -0.000 0.000 0.295 272 I C -0.764 175.334 176.117 -0.031 0.000 1.161 272 I CA -0.026 61.274 61.300 -0.000 0.000 1.032 272 I CB 2.241 40.241 38.000 -0.000 0.000 1.244 272 I HN 0.215 nan 8.210 nan 0.000 0.421 273 T N 2.696 117.190 114.554 -0.100 0.000 2.886 273 T HA 0.759 5.109 4.350 -0.000 0.000 0.292 273 T C -0.496 174.082 174.700 -0.204 0.000 1.012 273 T CA -0.943 60.996 62.100 -0.267 0.000 0.982 273 T CB 2.678 71.345 68.868 -0.335 0.000 1.018 273 T HN 0.433 nan 8.240 nan 0.000 0.451 274 R N 1.140 121.500 120.500 -0.233 0.000 2.574 274 R HA 0.740 5.080 4.340 -0.000 0.000 0.288 274 R C -0.611 175.589 176.300 -0.167 0.000 1.004 274 R CA -0.770 55.242 56.100 -0.145 0.000 0.895 274 R CB 1.954 32.210 30.300 -0.073 0.000 1.191 274 R HN 0.996 nan 8.270 nan 0.000 0.444 275 A N 2.109 124.845 122.820 -0.139 0.000 2.409 275 A HA 0.361 4.681 4.320 -0.000 0.000 0.262 275 A C 0.723 178.220 177.584 -0.145 0.000 1.113 275 A CA -0.241 51.713 52.037 -0.139 0.000 0.790 275 A CB 0.593 19.526 19.000 -0.111 0.000 1.046 275 A HN 0.476 nan 8.150 nan 0.000 0.496 276 V N 1.403 121.206 119.914 -0.186 0.000 3.455 276 V HA 0.428 4.548 4.120 -0.000 0.000 0.250 276 V C 0.900 176.829 176.094 -0.273 0.000 1.230 276 V CA 1.366 63.495 62.300 -0.284 0.000 1.105 276 V CB 0.257 31.815 31.823 -0.442 0.000 0.850 276 V HN 1.150 nan 8.190 nan 0.000 0.461 277 A N -0.736 121.959 122.820 -0.209 0.000 2.459 277 A HA 0.770 5.090 4.320 -0.000 0.000 0.296 277 A C -0.717 176.783 177.584 -0.140 0.000 1.039 277 A CA -0.248 51.681 52.037 -0.181 0.000 0.698 277 A CB 2.002 20.875 19.000 -0.211 0.000 1.261 277 A HN 0.015 nan 8.150 nan 0.000 0.405 278 S N 1.450 117.081 115.700 -0.115 0.000 2.779 278 S HA 0.501 4.971 4.470 -0.000 0.000 0.293 278 S C -0.363 174.191 174.600 -0.077 0.000 1.150 278 S CA 0.309 58.456 58.200 -0.089 0.000 1.057 278 S CB 0.532 63.688 63.200 -0.073 0.000 1.021 278 S HN 1.297 nan 8.310 nan 0.000 0.485 279 D N 2.991 123.346 120.400 -0.075 0.000 2.772 279 D HA -0.194 4.446 4.640 -0.000 0.000 0.233 279 D C -0.366 175.890 176.300 -0.072 0.000 1.143 279 D CA 0.629 54.593 54.000 -0.060 0.000 0.700 279 D CB -0.835 39.942 40.800 -0.039 0.000 1.076 279 D HN 0.468 nan 8.370 nan 0.000 0.430 280 N N 0.407 119.043 118.700 -0.107 0.000 2.402 280 N HA 0.301 5.041 4.740 -0.000 0.000 0.259 280 N C 0.288 175.728 175.510 -0.117 0.000 1.167 280 N CA 0.723 53.703 53.050 -0.117 0.000 0.949 280 N CB 0.495 38.885 38.487 -0.161 0.000 1.212 280 N HN 0.353 nan 8.380 nan 0.000 0.493 281 G N 3.486 112.243 108.800 -0.072 0.000 2.406 281 G HA2 0.332 4.292 3.960 -0.000 0.000 0.251 281 G HA3 0.332 4.292 3.960 -0.000 0.000 0.251 281 G C 0.142 175.008 174.900 -0.056 0.000 1.271 281 G CA -0.442 44.627 45.100 -0.052 0.000 0.859 281 G HN 0.609 nan 8.290 nan 0.000 0.540 282 L N 2.055 123.247 121.223 -0.052 0.000 2.275 282 L HA 0.324 4.664 4.340 -0.000 0.000 0.288 282 L C 0.359 177.220 176.870 -0.015 0.000 1.046 282 L CA -0.549 54.270 54.840 -0.037 0.000 0.805 282 L CB 1.516 43.552 42.059 -0.038 0.000 1.193 282 L HN 0.363 nan 8.230 nan 0.000 0.426 283 T N 1.343 115.896 114.554 -0.001 0.000 2.799 283 T HA 0.170 4.520 4.350 -0.000 0.000 0.286 283 T C 0.409 175.094 174.700 -0.024 0.000 0.973 283 T CA -0.304 61.789 62.100 -0.012 0.000 1.035 283 T CB 1.303 70.179 68.868 0.012 0.000 0.932 283 T HN 0.505 nan 8.240 nan 0.000 0.469 284 T N 2.561 117.051 114.554 -0.108 0.000 2.937 284 T HA 0.341 4.691 4.350 -0.000 0.000 0.316 284 T C 1.463 176.142 174.700 -0.036 0.000 1.079 284 T CA 1.219 63.244 62.100 -0.126 0.000 1.131 284 T CB 0.138 68.818 68.868 -0.313 0.000 1.000 284 T HN 0.993 nan 8.240 nan 0.000 0.549 285 G N 2.373 111.157 108.800 -0.026 0.000 2.296 285 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.282 285 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.282 285 G C 0.136 175.019 174.900 -0.030 0.000 1.014 285 G CA 1.029 46.107 45.100 -0.037 0.000 0.812 285 G HN 1.030 nan 8.290 nan 0.000 0.508 286 I N -4.765 115.815 120.570 0.017 0.000 3.074 286 I HA 0.629 4.799 4.170 -0.000 0.000 0.310 286 I C -0.990 175.241 176.117 0.189 0.000 1.153 286 I CA -1.593 59.742 61.300 0.059 0.000 0.993 286 I CB 1.857 39.891 38.000 0.057 0.000 1.237 286 I HN -0.167 nan 8.210 nan 0.000 0.443 287 D N 3.644 124.170 120.400 0.209 0.000 2.339 287 D HA 0.168 4.808 4.640 -0.000 0.000 0.256 287 D C -0.758 175.630 176.300 0.146 0.000 1.214 287 D CA 0.199 54.361 54.000 0.271 0.000 0.877 287 D CB 0.613 41.524 40.800 0.186 0.000 1.111 287 D HN 0.461 nan 8.370 nan 0.000 0.478 288 N N 3.088 121.872 118.700 0.141 0.000 2.439 288 N HA 0.196 4.936 4.740 -0.000 0.000 0.249 288 N C -0.149 175.418 175.510 0.096 0.000 1.003 288 N CA -0.347 52.766 53.050 0.106 0.000 0.942 288 N CB 1.724 40.283 38.487 0.120 0.000 1.115 288 N HN 0.238 nan 8.380 nan 0.000 0.505 289 L N 2.535 123.796 121.223 0.062 0.000 2.290 289 L HA 0.416 4.756 4.340 -0.000 0.000 0.284 289 L C 0.458 177.361 176.870 0.055 0.000 1.078 289 L CA -0.150 54.722 54.840 0.053 0.000 0.815 289 L CB 0.973 43.053 42.059 0.035 0.000 1.162 289 L HN 0.387 nan 8.230 nan 0.000 0.435 290 M N 7.293 126.942 119.600 0.081 0.000 2.016 290 M HA 0.422 4.902 4.480 -0.000 0.000 0.315 290 M C -2.600 173.711 176.300 0.017 0.000 0.930 290 M CA -1.612 53.706 55.300 0.030 0.000 0.899 290 M CB 1.594 34.265 32.600 0.118 0.000 1.401 290 M HN 0.198 nan 8.290 nan 0.000 0.386 291 P HA 0.346 nan 4.420 nan 0.000 0.278 291 P C -1.400 175.870 177.300 -0.050 0.000 1.258 291 P CA -0.149 62.996 63.100 0.076 0.000 0.811 291 P CB 0.824 32.553 31.700 0.048 0.000 1.063 292 F N 0.601 120.560 119.950 0.015 0.000 2.493 292 F HA 0.383 4.910 4.527 -0.000 0.000 0.329 292 F C 0.871 176.681 175.800 0.016 0.000 1.126 292 F CA -0.317 57.695 58.000 0.019 0.000 0.937 292 F CB 1.333 40.350 39.000 0.028 0.000 1.146 292 F HN 0.142 nan 8.300 nan 0.000 0.442 293 N N 5.151 123.932 118.700 0.134 0.000 2.703 293 N HA 0.274 5.014 4.740 -0.000 0.000 0.283 293 N C -1.361 174.196 175.510 0.078 0.000 1.851 293 N CA -0.067 53.039 53.050 0.094 0.000 0.826 293 N CB 1.246 39.762 38.487 0.048 0.000 1.239 293 N HN 0.428 nan 8.380 nan 0.000 0.495 294 L N 0.577 121.866 121.223 0.109 0.000 2.322 294 L HA 0.660 5.000 4.340 -0.000 0.000 0.279 294 L C -0.076 176.846 176.870 0.086 0.000 1.036 294 L CA -0.976 53.915 54.840 0.085 0.000 0.807 294 L CB 2.053 44.173 42.059 0.102 0.000 1.226 294 L HN -0.199 nan 8.230 nan 0.000 0.433 295 V N 4.042 123.997 119.914 0.069 0.000 2.482 295 V HA 0.375 4.495 4.120 -0.000 0.000 0.295 295 V C -0.611 175.522 176.094 0.065 0.000 1.026 295 V CA -0.342 62.007 62.300 0.082 0.000 0.856 295 V CB 2.121 33.984 31.823 0.067 0.000 1.001 295 V HN 0.413 nan 8.190 nan 0.000 0.424 296 I N 8.619 129.236 120.570 0.078 0.000 2.328 296 I HA 0.460 4.630 4.170 -0.000 0.000 0.287 296 I C -2.022 174.133 176.117 0.063 0.000 1.012 296 I CA -2.564 58.770 61.300 0.056 0.000 1.195 296 I CB 1.760 39.790 38.000 0.051 0.000 1.350 296 I HN 0.408 nan 8.210 nan 0.000 0.464 297 P HA 0.180 nan 4.420 nan 0.000 0.276 297 P C 0.510 177.829 177.300 0.031 0.000 1.244 297 P CA -0.275 62.846 63.100 0.035 0.000 0.801 297 P CB 1.022 32.732 31.700 0.017 0.000 1.006 298 T N 1.026 115.599 114.554 0.032 0.000 2.665 298 T HA -0.172 4.178 4.350 -0.000 0.000 0.268 298 T C 1.652 176.359 174.700 0.011 0.000 1.035 298 T CA 2.123 64.238 62.100 0.025 0.000 1.151 298 T CB -0.937 67.948 68.868 0.029 0.000 0.862 298 T HN 0.626 nan 8.240 nan 0.000 0.438 299 N N 1.375 120.081 118.700 0.010 0.000 2.348 299 N HA -0.162 4.578 4.740 -0.000 0.000 0.185 299 N C 1.562 177.074 175.510 0.004 0.000 1.019 299 N CA 1.088 54.142 53.050 0.007 0.000 0.880 299 N CB -0.289 38.202 38.487 0.007 0.000 0.965 299 N HN 0.503 nan 8.380 nan 0.000 0.437 300 E N 0.138 120.340 120.200 0.004 0.000 2.371 300 E HA 0.180 4.530 4.350 -0.000 0.000 0.194 300 E C 0.043 176.638 176.600 -0.009 0.000 1.012 300 E CA -0.100 56.300 56.400 0.000 0.000 0.860 300 E CB 0.188 29.890 29.700 0.003 0.000 0.811 300 E HN 0.352 nan 8.360 nan 0.000 0.502 301 I N 1.681 122.243 120.570 -0.013 0.000 2.308 301 I HA -0.012 4.158 4.170 -0.000 0.000 0.293 301 I C 1.274 177.356 176.117 -0.058 0.000 1.078 301 I CA -0.043 61.238 61.300 -0.032 0.000 1.292 301 I CB 1.346 39.330 38.000 -0.026 0.000 1.423 301 I HN 0.060 nan 8.210 nan 0.000 0.493 302 T N 1.840 116.342 114.554 -0.087 0.000 3.067 302 T HA 0.098 4.448 4.350 -0.000 0.000 0.257 302 T C 0.423 174.937 174.700 -0.309 0.000 1.105 302 T CA 0.088 62.115 62.100 -0.121 0.000 1.104 302 T CB 0.011 68.833 68.868 -0.077 0.000 0.925 302 T HN 0.693 nan 8.240 nan 0.000 0.498 303 Q N -0.479 119.105 119.800 -0.361 0.000 2.522 303 Q HA 0.558 4.898 4.340 -0.000 0.000 0.285 303 Q C -3.485 172.387 176.000 -0.213 0.000 0.982 303 Q CA -2.514 52.948 55.803 -0.569 0.000 0.805 303 Q CB 0.601 28.606 28.738 -1.223 0.000 1.457 303 Q HN -0.119 nan 8.270 nan 0.000 0.394 304 P HA -0.003 nan 4.420 nan 0.000 0.264 304 P C -0.683 176.642 177.300 0.043 0.000 1.183 304 P CA 0.178 63.291 63.100 0.022 0.000 0.763 304 P CB 0.323 32.113 31.700 0.150 0.000 0.807 305 I N 3.286 123.874 120.570 0.031 0.000 2.365 305 I HA 0.116 4.286 4.170 -0.000 0.000 0.291 305 I C 1.393 177.550 176.117 0.066 0.000 1.004 305 I CA 0.346 61.671 61.300 0.041 0.000 1.311 305 I CB 0.857 38.872 38.000 0.025 0.000 1.401 305 I HN 0.434 nan 8.210 nan 0.000 0.491 306 T N 0.203 114.804 114.554 0.078 0.000 3.058 306 T HA 0.232 4.582 4.350 -0.000 0.000 0.278 306 T C 0.344 175.067 174.700 0.039 0.000 0.974 306 T CA -0.142 62.011 62.100 0.088 0.000 0.893 306 T CB 0.107 69.075 68.868 0.167 0.000 1.138 306 T HN 0.631 nan 8.240 nan 0.000 0.529 307 S N 0.402 116.113 115.700 0.018 0.000 2.567 307 S HA 0.705 5.175 4.470 -0.000 0.000 0.270 307 S C -1.715 172.888 174.600 0.005 0.000 1.152 307 S CA -1.027 57.171 58.200 -0.004 0.000 0.835 307 S CB 1.810 65.009 63.200 -0.001 0.000 1.115 307 S HN 0.508 nan 8.310 nan 0.000 0.459 308 I N 1.550 122.128 120.570 0.013 0.000 2.582 308 I HA 0.727 4.897 4.170 -0.000 0.000 0.292 308 I C -1.552 174.581 176.117 0.028 0.000 1.066 308 I CA -0.702 60.626 61.300 0.047 0.000 1.053 308 I CB 1.854 39.894 38.000 0.068 0.000 1.241 308 I HN 1.056 nan 8.210 nan 0.000 0.421 309 K N 6.338 126.713 120.400 -0.043 0.000 2.508 309 K HA 0.624 4.944 4.320 -0.000 0.000 0.260 309 K C -2.156 174.279 176.600 -0.275 0.000 0.949 309 K CA -0.947 55.166 56.287 -0.290 0.000 0.834 309 K CB 2.511 34.874 32.500 -0.229 0.000 1.365 309 K HN 0.452 nan 8.250 nan 0.000 0.437 310 L N 0.975 121.810 121.223 -0.646 0.000 2.341 310 L HA 0.478 4.818 4.340 -0.000 0.000 0.278 310 L C -1.140 175.650 176.870 -0.135 0.000 1.005 310 L CA -0.037 54.632 54.840 -0.284 0.000 0.818 310 L CB 1.827 43.718 42.059 -0.280 0.000 1.259 310 L HN 0.851 nan 8.230 nan 0.000 0.418 311 E N 4.560 124.796 120.200 0.060 0.000 2.183 311 E HA 0.591 4.941 4.350 -0.000 0.000 0.271 311 E C -1.278 175.361 176.600 0.064 0.000 0.919 311 E CA -0.516 55.928 56.400 0.072 0.000 0.781 311 E CB 1.816 31.628 29.700 0.186 0.000 1.140 311 E HN 0.581 nan 8.360 nan 0.000 0.402 312 I N 3.239 123.842 120.570 0.054 0.000 2.465 312 I HA 0.301 4.471 4.170 -0.000 0.000 0.291 312 I C -0.932 175.188 176.117 0.005 0.000 1.014 312 I CA -1.032 60.281 61.300 0.022 0.000 1.093 312 I CB 1.921 39.958 38.000 0.062 0.000 1.267 312 I HN 0.195 nan 8.210 nan 0.000 0.431 313 V N 4.088 123.984 119.914 -0.031 0.000 2.384 313 V HA 0.433 4.553 4.120 -0.000 0.000 0.287 313 V C 0.020 176.096 176.094 -0.030 0.000 1.020 313 V CA -0.504 61.787 62.300 -0.015 0.000 0.850 313 V CB 1.319 33.138 31.823 -0.007 0.000 0.987 313 V HN 0.711 nan 8.190 nan 0.000 0.436 314 T N 3.968 118.529 114.554 0.011 0.000 2.795 314 T HA 0.685 5.035 4.350 -0.000 0.000 0.282 314 T C 0.005 174.773 174.700 0.113 0.000 0.980 314 T CA -0.474 61.675 62.100 0.080 0.000 1.012 314 T CB 1.364 70.327 68.868 0.159 0.000 0.936 314 T HN 0.902 nan 8.240 nan 0.000 0.457 315 S N 2.111 117.878 115.700 0.111 0.000 2.564 315 S HA 0.679 5.149 4.470 -0.000 0.000 0.274 315 S C -1.155 173.547 174.600 0.170 0.000 1.124 315 S CA -1.217 57.060 58.200 0.129 0.000 0.869 315 S CB 2.135 65.383 63.200 0.079 0.000 1.105 315 S HN 0.637 nan 8.310 nan 0.000 0.472 316 K N 1.449 122.003 120.400 0.257 0.000 2.507 316 K HA 0.422 4.742 4.320 -0.000 0.000 0.253 316 K C 1.159 177.877 176.600 0.197 0.000 0.969 316 K CA -0.336 56.084 56.287 0.222 0.000 0.908 316 K CB 0.896 33.538 32.500 0.237 0.000 1.127 316 K HN 0.772 nan 8.250 nan 0.000 0.437 317 S N 2.558 118.327 115.700 0.114 0.000 2.404 317 S HA -0.198 4.272 4.470 -0.000 0.000 0.230 317 S C 1.286 175.917 174.600 0.052 0.000 1.046 317 S CA 1.228 59.477 58.200 0.081 0.000 1.135 317 S CB -0.675 62.555 63.200 0.049 0.000 1.056 317 S HN 0.668 nan 8.310 nan 0.000 0.426 318 G N 1.850 110.653 108.800 0.005 0.000 4.126 318 G HA2 0.574 4.534 3.960 -0.000 0.000 0.282 318 G HA3 0.574 4.534 3.960 -0.000 0.000 0.282 318 G C 0.037 174.848 174.900 -0.147 0.000 1.221 318 G CA -0.144 44.927 45.100 -0.048 0.000 1.527 318 G HN 0.737 nan 8.290 nan 0.000 0.612 319 G N -0.288 108.323 108.800 -0.316 0.000 2.597 319 G HA2 0.694 4.654 3.960 -0.000 0.000 0.317 319 G HA3 0.694 4.654 3.960 -0.000 0.000 0.317 319 G C -0.813 173.496 174.900 -0.984 0.000 1.230 319 G CA -0.618 44.039 45.100 -0.739 0.000 0.996 319 G HN 0.412 nan 8.290 nan 0.000 0.490 320 Q N -1.006 118.231 119.800 -0.938 0.000 2.353 320 Q HA 0.524 4.864 4.340 -0.000 0.000 0.275 320 Q C -0.414 175.507 176.000 -0.133 0.000 1.029 320 Q CA -0.972 54.573 55.803 -0.431 0.000 0.848 320 Q CB 2.542 31.168 28.738 -0.187 0.000 1.390 320 Q HN 0.973 nan 8.270 nan 0.000 0.401 321 A N 0.862 123.776 122.820 0.156 0.000 2.600 321 A HA 0.233 4.553 4.320 -0.000 0.000 0.253 321 A C 1.246 178.893 177.584 0.104 0.000 0.997 321 A CA 1.776 53.937 52.037 0.208 0.000 0.820 321 A CB -0.902 18.174 19.000 0.127 0.000 0.888 321 A HN 1.177 nan 8.150 nan 0.000 0.508 322 G N 2.438 111.311 108.800 0.121 0.000 2.424 322 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.207 322 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.207 322 G C -0.075 174.857 174.900 0.053 0.000 1.061 322 G CA 0.207 45.343 45.100 0.060 0.000 0.657 322 G HN 0.912 nan 8.290 nan 0.000 0.508 323 D N 1.543 121.971 120.400 0.046 0.000 2.449 323 D HA 0.467 5.107 4.640 -0.000 0.000 0.236 323 D C 0.529 176.879 176.300 0.084 0.000 1.149 323 D CA 0.477 54.499 54.000 0.037 0.000 0.878 323 D CB 0.779 41.569 40.800 -0.016 0.000 1.198 323 D HN 0.468 nan 8.370 nan 0.000 0.446 324 Q N 0.757 120.588 119.800 0.053 0.000 2.230 324 Q HA 0.457 4.797 4.340 -0.000 0.000 0.253 324 Q C -0.970 175.066 176.000 0.061 0.000 0.919 324 Q CA -0.313 55.509 55.803 0.032 0.000 0.908 324 Q CB 1.159 29.894 28.738 -0.006 0.000 1.245 324 Q HN 0.391 nan 8.270 nan 0.000 0.437 325 M N 2.395 122.025 119.600 0.050 0.000 2.294 325 M HA 0.567 5.047 4.480 -0.000 0.000 0.335 325 M C -1.014 175.302 176.300 0.027 0.000 1.079 325 M CA -0.604 54.770 55.300 0.123 0.000 0.982 325 M CB 1.902 34.642 32.600 0.233 0.000 1.651 325 M HN 0.827 nan 8.290 nan 0.000 0.437 326 S N 2.557 118.316 115.700 0.100 0.000 2.547 326 S HA 0.842 5.312 4.470 -0.000 0.000 0.270 326 S C -1.784 172.944 174.600 0.213 0.000 1.150 326 S CA -0.953 57.249 58.200 0.004 0.000 0.850 326 S CB 2.021 65.173 63.200 -0.080 0.000 1.118 326 S HN 0.971 nan 8.310 nan 0.000 0.461 327 W N -0.048 121.427 121.300 0.292 0.000 3.059 327 W HA 0.697 5.357 4.660 -0.000 0.000 0.329 327 W C -1.453 175.212 176.519 0.244 0.000 1.246 327 W CA -0.583 56.917 57.345 0.260 0.000 1.190 327 W CB 0.742 30.368 29.460 0.277 0.000 1.423 327 W HN 1.156 nan 8.180 nan 0.000 0.571 328 S N 1.161 117.286 115.700 0.708 0.000 2.526 328 S HA 0.903 5.373 4.470 -0.000 0.000 0.293 328 S C -0.897 173.968 174.600 0.442 0.000 1.092 328 S CA -0.435 58.065 58.200 0.500 0.000 0.980 328 S CB 2.144 65.507 63.200 0.271 0.000 1.048 328 S HN 1.264 nan 8.310 nan 0.000 0.483 329 A N 1.536 124.548 122.820 0.320 0.000 2.515 329 A HA 0.925 5.245 4.320 -0.000 0.000 0.296 329 A C -0.514 177.014 177.584 -0.093 0.000 1.094 329 A CA -0.805 51.146 52.037 -0.143 0.000 0.718 329 A CB 1.870 20.620 19.000 -0.416 0.000 1.307 329 A HN 0.900 nan 8.150 nan 0.000 0.408 330 S N -0.989 114.555 115.700 -0.260 0.000 2.546 330 S HA 0.875 5.345 4.470 -0.000 0.000 0.272 330 S C -0.343 174.144 174.600 -0.188 0.000 1.140 330 S CA 0.072 58.183 58.200 -0.148 0.000 0.920 330 S CB 1.957 65.089 63.200 -0.114 0.000 1.083 330 S HN 2.154 nan 8.310 nan 0.000 0.476 331 G N 1.154 109.876 108.800 -0.130 0.000 2.377 331 G HA2 0.512 4.472 3.960 -0.000 0.000 0.297 331 G HA3 0.512 4.472 3.960 -0.000 0.000 0.297 331 G C -1.686 173.131 174.900 -0.138 0.000 1.547 331 G CA -0.516 44.508 45.100 -0.126 0.000 0.833 331 G HN 0.651 nan 8.290 nan 0.000 0.583 332 S N -0.766 114.842 115.700 -0.152 0.000 2.548 332 S HA 0.835 5.305 4.470 -0.000 0.000 0.286 332 S C -0.453 173.987 174.600 -0.267 0.000 1.098 332 S CA -0.659 57.423 58.200 -0.197 0.000 0.930 332 S CB 1.537 64.653 63.200 -0.141 0.000 1.070 332 S HN 0.645 nan 8.310 nan 0.000 0.480 333 L N 1.300 122.326 121.223 -0.328 0.000 2.323 333 L HA 0.949 5.289 4.340 -0.000 0.000 0.265 333 L C -0.419 176.324 176.870 -0.212 0.000 1.012 333 L CA -1.117 53.499 54.840 -0.372 0.000 0.820 333 L CB 1.771 43.521 42.059 -0.515 0.000 1.334 333 L HN 0.714 nan 8.230 nan 0.000 0.427 334 A N 1.333 124.065 122.820 -0.147 0.000 2.335 334 A HA 0.748 5.068 4.320 -0.000 0.000 0.304 334 A C -0.969 176.598 177.584 -0.028 0.000 1.118 334 A CA -0.484 51.514 52.037 -0.065 0.000 0.757 334 A CB 1.509 20.481 19.000 -0.046 0.000 1.188 334 A HN 0.360 nan 8.150 nan 0.000 0.460 335 V N 2.691 122.624 119.914 0.030 0.000 2.347 335 V HA 0.460 4.580 4.120 -0.000 0.000 0.280 335 V C 0.067 176.208 176.094 0.078 0.000 1.021 335 V CA -0.255 62.086 62.300 0.068 0.000 0.847 335 V CB 1.321 33.208 31.823 0.106 0.000 0.990 335 V HN 0.874 nan 8.190 nan 0.000 0.444 336 T N 6.493 121.032 114.554 -0.025 0.000 2.758 336 T HA 0.526 4.876 4.350 -0.000 0.000 0.285 336 T C -0.160 174.385 174.700 -0.258 0.000 0.981 336 T CA -0.286 61.733 62.100 -0.135 0.000 0.965 336 T CB 0.736 69.490 68.868 -0.190 0.000 0.927 336 T HN 0.323 nan 8.240 nan 0.000 0.448 337 I N 4.348 124.820 120.570 -0.164 0.000 2.291 337 I HA 0.178 4.348 4.170 -0.000 0.000 0.290 337 I C 0.663 176.680 176.117 -0.168 0.000 1.050 337 I CA -0.868 60.357 61.300 -0.125 0.000 1.245 337 I CB -0.031 37.988 38.000 0.031 0.000 1.405 337 I HN 0.575 nan 8.210 nan 0.000 0.478 338 H N 5.264 124.361 119.070 0.045 0.000 3.107 338 H HA 0.066 4.622 4.556 -0.000 0.000 0.301 338 H C 1.465 176.811 175.328 0.029 0.000 0.981 338 H CA 1.053 57.120 56.048 0.032 0.000 1.443 338 H CB 0.481 30.258 29.762 0.026 0.000 1.479 338 H HN 0.949 nan 8.280 nan 0.000 0.564 339 G N 2.806 111.677 108.800 0.118 0.000 2.166 339 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.260 339 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.260 339 G C 1.551 176.501 174.900 0.084 0.000 0.986 339 G CA 0.731 45.881 45.100 0.083 0.000 0.683 339 G HN 0.856 nan 8.290 nan 0.000 0.527 340 G N 0.152 108.985 108.800 0.055 0.000 2.432 340 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.219 340 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.219 340 G C 1.281 176.202 174.900 0.035 0.000 1.135 340 G CA 1.299 46.426 45.100 0.045 0.000 0.767 340 G HN 0.512 nan 8.290 nan 0.000 0.550 341 N N -0.797 117.916 118.700 0.022 0.000 2.322 341 N HA 0.069 4.809 4.740 -0.000 0.000 0.194 341 N C -0.398 175.124 175.510 0.021 0.000 1.126 341 N CA -0.463 52.585 53.050 -0.004 0.000 0.845 341 N CB -0.077 38.386 38.487 -0.041 0.000 0.976 341 N HN 0.409 nan 8.380 nan 0.000 0.475 342 Y N 2.595 122.869 120.300 -0.043 0.000 2.496 342 Y HA 0.184 4.734 4.550 -0.000 0.000 0.334 342 Y C -2.133 173.732 175.900 -0.059 0.000 1.080 342 Y CA -2.236 55.833 58.100 -0.051 0.000 1.355 342 Y CB 0.507 38.929 38.460 -0.063 0.000 1.193 342 Y HN -0.004 nan 8.280 nan 0.000 0.523 343 P HA 0.061 nan 4.420 nan 0.000 0.258 343 P C 0.504 177.671 177.300 -0.222 0.000 1.172 343 P CA 2.120 65.020 63.100 -0.333 0.000 0.762 343 P CB 0.309 31.771 31.700 -0.398 0.000 0.764 344 G N 3.173 111.948 108.800 -0.041 0.000 2.254 344 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.225 344 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.225 344 G C 1.168 176.152 174.900 0.140 0.000 1.003 344 G CA 0.320 45.459 45.100 0.066 0.000 0.622 344 G HN 0.621 nan 8.290 nan 0.000 0.507 345 A N -0.273 122.615 122.820 0.115 0.000 1.929 345 A HA 0.555 4.875 4.320 -0.000 0.000 0.216 345 A C 2.255 179.954 177.584 0.191 0.000 1.176 345 A CA 1.978 54.067 52.037 0.087 0.000 0.628 345 A CB -0.188 18.860 19.000 0.080 0.000 0.816 345 A HN 0.866 nan 8.150 nan 0.000 0.444 346 L N -2.311 119.004 121.223 0.153 0.000 2.806 346 L HA 0.212 4.552 4.340 -0.000 0.000 0.242 346 L C 0.629 177.626 176.870 0.213 0.000 1.068 346 L CA -0.089 54.843 54.840 0.153 0.000 0.923 346 L CB 0.356 42.484 42.059 0.115 0.000 1.364 346 L HN 0.433 nan 8.230 nan 0.000 0.511 347 R N 0.318 120.904 120.500 0.143 0.000 2.807 347 R HA 0.599 4.939 4.340 -0.000 0.000 0.276 347 R C -2.912 173.437 176.300 0.081 0.000 0.979 347 R CA -1.760 54.401 56.100 0.103 0.000 0.928 347 R CB 1.125 31.426 30.300 0.001 0.000 1.191 347 R HN -0.286 nan 8.270 nan 0.000 0.471 348 P HA 0.260 nan 4.420 nan 0.000 0.302 348 P C -0.909 176.490 177.300 0.165 0.000 1.307 348 P CA -0.609 62.525 63.100 0.056 0.000 0.754 348 P CB 0.915 32.615 31.700 0.000 0.000 1.298 349 V N -0.996 119.020 119.914 0.170 0.000 2.760 349 V HA 0.361 4.481 4.120 -0.000 0.000 0.309 349 V C -0.540 175.618 176.094 0.107 0.000 1.077 349 V CA -0.284 62.108 62.300 0.153 0.000 0.910 349 V CB 2.346 34.288 31.823 0.199 0.000 1.008 349 V HN 0.536 nan 8.190 nan 0.000 0.424 350 T N 6.587 121.176 114.554 0.058 0.000 2.792 350 T HA 0.619 4.969 4.350 -0.000 0.000 0.280 350 T C -0.604 174.130 174.700 0.057 0.000 0.990 350 T CA -0.267 61.880 62.100 0.078 0.000 0.960 350 T CB 0.775 69.705 68.868 0.102 0.000 0.939 350 T HN 0.365 nan 8.240 nan 0.000 0.439 351 L N 3.357 124.592 121.223 0.019 0.000 2.307 351 L HA 0.695 5.035 4.340 -0.000 0.000 0.284 351 L C -0.572 176.322 176.870 0.040 0.000 1.023 351 L CA -1.131 53.693 54.840 -0.027 0.000 0.810 351 L CB 1.687 43.688 42.059 -0.097 0.000 1.231 351 L HN 0.306 nan 8.230 nan 0.000 0.423 352 V N 2.644 122.605 119.914 0.078 0.000 2.376 352 V HA 0.612 4.732 4.120 -0.000 0.000 0.287 352 V C 0.144 176.343 176.094 0.174 0.000 1.015 352 V CA -0.439 61.951 62.300 0.149 0.000 0.834 352 V CB 1.478 33.454 31.823 0.256 0.000 1.001 352 V HN 0.869 nan 8.190 nan 0.000 0.428 353 A N 5.416 128.336 122.820 0.167 0.000 2.337 353 A HA 0.966 5.286 4.320 -0.000 0.000 0.329 353 A C -1.034 176.811 177.584 0.434 0.000 1.146 353 A CA -0.514 51.658 52.037 0.225 0.000 0.800 353 A CB 1.139 20.245 19.000 0.178 0.000 1.220 353 A HN 1.040 nan 8.150 nan 0.000 0.472 354 Y N -0.389 120.112 120.300 0.336 0.000 2.512 354 Y HA 0.778 5.328 4.550 -0.000 0.000 0.348 354 Y C -0.471 175.467 175.900 0.062 0.000 0.990 354 Y CA -0.951 57.296 58.100 0.246 0.000 1.033 354 Y CB 1.401 39.952 38.460 0.152 0.000 1.259 354 Y HN 0.863 nan 8.280 nan 0.000 0.461 355 E N 1.127 121.295 120.200 -0.054 0.000 2.412 355 E HA 0.593 4.943 4.350 -0.000 0.000 0.279 355 E C -0.667 175.871 176.600 -0.104 0.000 0.984 355 E CA -1.331 54.934 56.400 -0.226 0.000 0.788 355 E CB 1.538 30.873 29.700 -0.609 0.000 1.277 355 E HN 0.577 nan 8.360 nan 0.000 0.455 356 R N -0.807 119.652 120.500 -0.067 0.000 3.878 356 R HA -0.095 4.245 4.340 -0.000 0.000 0.330 356 R C -0.649 175.668 176.300 0.028 0.000 1.186 356 R CA 0.761 56.845 56.100 -0.028 0.000 0.885 356 R CB -2.960 27.310 30.300 -0.050 0.000 1.377 356 R HN 0.464 nan 8.270 nan 0.000 0.523 357 V N 1.142 121.109 119.914 0.088 0.000 2.498 357 V HA 0.540 4.660 4.120 -0.000 0.000 0.279 357 V C 1.385 177.519 176.094 0.066 0.000 1.048 357 V CA -0.370 61.983 62.300 0.088 0.000 0.967 357 V CB 1.689 33.591 31.823 0.131 0.000 0.988 357 V HN 0.397 nan 8.190 nan 0.000 0.473 358 A N 4.004 126.847 122.820 0.039 0.000 2.567 358 A HA 0.240 4.560 4.320 -0.000 0.000 0.240 358 A C 0.833 178.440 177.584 0.039 0.000 1.053 358 A CA 0.183 52.238 52.037 0.030 0.000 0.755 358 A CB -0.424 18.587 19.000 0.018 0.000 0.978 358 A HN 0.877 nan 8.150 nan 0.000 0.507 359 T N 1.964 116.541 114.554 0.038 0.000 2.934 359 T HA 0.402 4.752 4.350 -0.000 0.000 0.306 359 T C 1.592 176.312 174.700 0.033 0.000 1.042 359 T CA 1.443 63.569 62.100 0.043 0.000 1.145 359 T CB 0.512 69.400 68.868 0.033 0.000 0.982 359 T HN 2.088 nan 8.240 nan 0.000 0.544 360 G N 2.665 111.487 108.800 0.037 0.000 2.179 360 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.260 360 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.260 360 G C 0.442 175.349 174.900 0.013 0.000 0.977 360 G CA 0.156 45.270 45.100 0.024 0.000 0.641 360 G HN 0.791 nan 8.290 nan 0.000 0.533 361 S N -0.989 114.717 115.700 0.010 0.000 2.624 361 S HA 0.557 5.027 4.470 -0.000 0.000 0.263 361 S C 0.474 175.057 174.600 -0.030 0.000 1.287 361 S CA -0.104 58.090 58.200 -0.010 0.000 0.990 361 S CB 2.032 65.221 63.200 -0.018 0.000 0.950 361 S HN 0.701 nan 8.310 nan 0.000 0.561 362 V N 2.210 122.097 119.914 -0.045 0.000 2.370 362 V HA 0.317 4.437 4.120 -0.000 0.000 0.283 362 V C -0.345 175.686 176.094 -0.104 0.000 1.023 362 V CA -0.589 61.674 62.300 -0.062 0.000 0.857 362 V CB 1.448 33.247 31.823 -0.039 0.000 0.985 362 V HN 0.609 nan 8.190 nan 0.000 0.443 363 V N 4.640 124.455 119.914 -0.166 0.000 2.348 363 V HA 0.304 4.424 4.120 -0.000 0.000 0.270 363 V C 0.498 176.509 176.094 -0.138 0.000 1.037 363 V CA -0.099 62.069 62.300 -0.221 0.000 0.872 363 V CB 1.695 33.255 31.823 -0.439 0.000 1.002 363 V HN 0.954 nan 8.190 nan 0.000 0.464 364 T N 5.393 119.899 114.554 -0.079 0.000 2.767 364 T HA 0.497 4.847 4.350 -0.000 0.000 0.288 364 T C -0.172 174.531 174.700 0.004 0.000 0.963 364 T CA -0.221 61.862 62.100 -0.029 0.000 1.019 364 T CB 1.312 70.167 68.868 -0.022 0.000 0.923 364 T HN 0.333 nan 8.240 nan 0.000 0.468 365 V N 2.700 122.648 119.914 0.057 0.000 2.459 365 V HA 0.830 4.949 4.120 -0.000 0.000 0.295 365 V C -0.074 176.080 176.094 0.102 0.000 1.029 365 V CA -0.819 61.548 62.300 0.112 0.000 0.874 365 V CB 1.419 33.368 31.823 0.211 0.000 0.985 365 V HN 1.059 nan 8.190 nan 0.000 0.438 366 A N 3.441 126.295 122.820 0.056 0.000 2.429 366 A HA 0.949 5.269 4.320 -0.000 0.000 0.289 366 A C -0.176 177.406 177.584 -0.004 0.000 1.043 366 A CA 0.123 52.177 52.037 0.028 0.000 0.722 366 A CB 1.681 20.684 19.000 0.004 0.000 1.243 366 A HN 1.257 nan 8.150 nan 0.000 0.415 367 G N -0.296 108.510 108.800 0.010 0.000 2.645 367 G HA2 0.660 4.620 3.960 -0.000 0.000 0.292 367 G HA3 0.660 4.620 3.960 -0.000 0.000 0.292 367 G C -1.772 173.127 174.900 -0.001 0.000 1.415 367 G CA -0.471 44.612 45.100 -0.028 0.000 0.785 367 G HN 1.213 nan 8.290 nan 0.000 0.483 368 V N 0.031 119.929 119.914 -0.027 0.000 2.709 368 V HA 0.719 4.838 4.120 -0.000 0.000 0.308 368 V C -0.311 175.759 176.094 -0.041 0.000 1.062 368 V CA -0.746 61.550 62.300 -0.008 0.000 0.901 368 V CB 1.900 33.714 31.823 -0.014 0.000 1.003 368 V HN 0.741 nan 8.190 nan 0.000 0.425 369 S N 3.776 119.465 115.700 -0.019 0.000 2.502 369 S HA 0.571 5.041 4.470 -0.000 0.000 0.304 369 S C -0.675 173.752 174.600 -0.289 0.000 1.097 369 S CA -0.777 57.308 58.200 -0.191 0.000 1.045 369 S CB 1.090 64.236 63.200 -0.089 0.000 1.019 369 S HN 0.755 nan 8.310 nan 0.000 0.481 370 N N 2.163 120.577 118.700 -0.476 0.000 2.342 370 N HA 0.605 5.345 4.740 -0.000 0.000 0.293 370 N C -1.455 173.782 175.510 -0.455 0.000 1.026 370 N CA -0.218 52.667 53.050 -0.275 0.000 0.857 370 N CB 1.325 39.744 38.487 -0.113 0.000 1.256 370 N HN 0.368 nan 8.380 nan 0.000 0.484 371 F N -0.186 119.776 119.950 0.019 0.000 2.603 371 F HA 0.401 4.928 4.527 0.000 0.000 0.317 371 F C 0.603 176.407 175.800 0.008 0.000 1.066 371 F CA -0.917 57.081 58.000 -0.003 0.000 0.941 371 F CB 1.604 40.578 39.000 -0.043 0.000 1.291 371 F HN 0.121 nan 8.300 nan 0.000 0.472 372 E N 2.174 122.488 120.200 0.190 0.000 2.156 372 E HA 0.653 5.003 4.350 -0.000 0.000 0.279 372 E C -1.226 175.510 176.600 0.227 0.000 0.965 372 E CA -0.469 56.018 56.400 0.144 0.000 0.789 372 E CB 1.781 31.381 29.700 -0.168 0.000 1.098 372 E HN 0.437 nan 8.360 nan 0.000 0.397 373 L N 3.343 124.721 121.223 0.258 0.000 2.350 373 L HA 0.593 4.933 4.340 -0.000 0.000 0.260 373 L C -0.628 176.408 176.870 0.276 0.000 1.015 373 L CA -0.884 54.048 54.840 0.153 0.000 0.821 373 L CB 1.980 43.800 42.059 -0.398 0.000 1.370 373 L HN 0.424 nan 8.230 nan 0.000 0.416 374 I N 3.124 123.886 120.570 0.319 0.000 2.418 374 I HA 0.345 4.515 4.170 -0.000 0.000 0.287 374 I C -2.236 174.115 176.117 0.390 0.000 1.008 374 I CA -1.941 59.528 61.300 0.281 0.000 1.104 374 I CB 2.175 40.295 38.000 0.201 0.000 1.264 374 I HN 0.261 nan 8.210 nan 0.000 0.438 375 P HA 0.031 nan 4.420 nan 0.000 0.270 375 P C -0.945 176.368 177.300 0.022 0.000 1.223 375 P CA -0.274 62.905 63.100 0.131 0.000 0.785 375 P CB 0.449 32.170 31.700 0.034 0.000 0.923 376 N N 2.173 120.808 118.700 -0.108 0.000 2.317 376 N HA 0.100 4.840 4.740 -0.000 0.000 0.245 376 N C -1.977 173.500 175.510 -0.055 0.000 1.294 376 N CA -1.708 51.300 53.050 -0.071 0.000 0.924 376 N CB -1.585 36.837 38.487 -0.108 0.000 1.186 376 N HN 0.150 nan 8.380 nan 0.000 0.495 377 P HA -0.139 nan 4.420 nan 0.000 0.215 377 P C 1.048 178.324 177.300 -0.040 0.000 1.157 377 P CA 1.442 64.524 63.100 -0.030 0.000 0.874 377 P CB 0.181 31.867 31.700 -0.023 0.000 0.790 378 E N -0.792 119.376 120.200 -0.054 0.000 2.047 378 E HA -0.134 4.216 4.350 -0.000 0.000 0.191 378 E C 1.907 178.469 176.600 -0.064 0.000 0.987 378 E CA 0.940 57.307 56.400 -0.054 0.000 0.799 378 E CB -1.019 28.646 29.700 -0.057 0.000 0.752 378 E HN 0.118 nan 8.360 nan 0.000 0.449 379 L N 0.720 121.884 121.223 -0.098 0.000 2.201 379 L HA -0.013 4.327 4.340 -0.000 0.000 0.212 379 L C 2.110 178.941 176.870 -0.066 0.000 1.105 379 L CA 1.441 56.215 54.840 -0.110 0.000 0.775 379 L CB -0.808 41.119 42.059 -0.220 0.000 0.913 379 L HN 0.022 nan 8.230 nan 0.000 0.440 380 A N -0.983 121.807 122.820 -0.050 0.000 2.024 380 A HA -0.234 4.086 4.320 -0.000 0.000 0.220 380 A C 2.262 179.835 177.584 -0.019 0.000 1.164 380 A CA 1.584 53.608 52.037 -0.021 0.000 0.643 380 A CB -0.466 18.526 19.000 -0.013 0.000 0.806 380 A HN 0.458 nan 8.150 nan 0.000 0.451 381 K N -0.570 119.815 120.400 -0.024 0.000 2.283 381 K HA -0.037 4.283 4.320 -0.000 0.000 0.202 381 K C 0.710 177.301 176.600 -0.015 0.000 1.048 381 K CA 1.132 57.408 56.287 -0.019 0.000 0.948 381 K CB 0.011 32.498 32.500 -0.020 0.000 0.742 381 K HN 0.409 nan 8.250 nan 0.000 0.458 382 N N -0.381 118.309 118.700 -0.016 0.000 2.143 382 N HA 0.110 4.850 4.740 -0.000 0.000 0.222 382 N C -0.750 174.759 175.510 -0.001 0.000 1.264 382 N CA 0.048 53.093 53.050 -0.009 0.000 0.897 382 N CB 1.116 39.596 38.487 -0.012 0.000 1.092 382 N HN 0.018 nan 8.380 nan 0.000 0.516 383 L N 2.201 123.425 121.223 0.002 0.000 2.294 383 L HA 0.358 4.698 4.340 -0.000 0.000 0.283 383 L C 0.001 176.880 176.870 0.016 0.000 1.015 383 L CA -0.802 54.051 54.840 0.022 0.000 0.831 383 L CB 1.673 43.758 42.059 0.044 0.000 1.217 383 L HN -0.166 nan 8.230 nan 0.000 0.420 384 V N 1.053 120.972 119.914 0.009 0.000 2.686 384 V HA 0.610 4.730 4.120 -0.000 0.000 0.295 384 V C 0.353 176.434 176.094 -0.021 0.000 1.055 384 V CA -0.186 62.109 62.300 -0.008 0.000 1.050 384 V CB 1.065 32.882 31.823 -0.010 0.000 0.984 384 V HN 0.812 nan 8.190 nan 0.000 0.482 385 T N 1.650 116.172 114.554 -0.054 0.000 2.887 385 T HA 0.807 5.157 4.350 -0.000 0.000 0.288 385 T C -0.639 173.961 174.700 -0.166 0.000 1.021 385 T CA -0.713 61.325 62.100 -0.102 0.000 1.000 385 T CB 2.168 70.980 68.868 -0.094 0.000 1.034 385 T HN 0.913 nan 8.240 nan 0.000 0.467 386 E N 0.230 120.279 120.200 -0.251 0.000 2.456 386 E HA 0.308 4.658 4.350 -0.000 0.000 0.276 386 E C -0.502 175.912 176.600 -0.309 0.000 0.981 386 E CA -0.925 55.334 56.400 -0.235 0.000 0.814 386 E CB 1.528 31.162 29.700 -0.109 0.000 1.382 386 E HN 0.685 nan 8.360 nan 0.000 0.459 387 Y N 0.707 120.971 120.300 -0.060 0.000 2.457 387 Y HA 0.162 4.712 4.550 0.000 0.000 0.292 387 Y C 1.106 177.050 175.900 0.074 0.000 1.125 387 Y CA 1.141 59.258 58.100 0.029 0.000 1.254 387 Y CB 0.642 39.131 38.460 0.048 0.000 1.012 387 Y HN 0.739 nan 8.280 nan 0.000 0.555 388 G N 1.055 109.946 108.800 0.152 0.000 3.039 388 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.686 388 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.686 388 G C -0.706 174.303 174.900 0.183 0.000 1.066 388 G CA -0.807 44.390 45.100 0.161 0.000 0.774 388 G HN 0.287 nan 8.290 nan 0.000 0.591 389 R N 0.304 120.890 120.500 0.143 0.000 2.474 389 R HA 0.137 4.477 4.340 -0.000 0.000 0.290 389 R C 0.599 177.000 176.300 0.169 0.000 0.918 389 R CA 0.315 56.498 56.100 0.138 0.000 1.130 389 R CB -0.108 30.248 30.300 0.092 0.000 0.881 389 R HN 1.036 nan 8.270 nan 0.000 0.416 390 F N 4.535 124.505 119.950 0.032 0.000 2.438 390 F HA 0.232 4.759 4.527 -0.000 0.000 0.356 390 F C -0.410 175.398 175.800 0.014 0.000 1.099 390 F CA -0.619 57.391 58.000 0.016 0.000 1.185 390 F CB 0.854 39.857 39.000 0.005 0.000 1.115 390 F HN 0.485 nan 8.300 nan 0.000 0.526 391 D N 9.079 129.146 120.400 -0.555 0.000 2.405 391 D HA 0.225 4.865 4.640 -0.000 0.000 0.264 391 D C -1.660 174.287 176.300 -0.587 0.000 1.240 391 D CA -1.678 52.013 54.000 -0.514 0.000 0.893 391 D CB 1.341 42.022 40.800 -0.199 0.000 1.198 391 D HN 0.300 nan 8.370 nan 0.000 0.514 392 P HA -0.151 nan 4.420 nan 0.000 0.220 392 P C 1.038 178.230 177.300 -0.180 0.000 1.155 392 P CA 1.233 64.041 63.100 -0.486 0.000 0.880 392 P CB 0.343 31.826 31.700 -0.363 0.000 0.790 393 G N -1.763 106.952 108.800 -0.141 0.000 3.393 393 G HA2 0.336 4.296 3.960 -0.000 0.000 0.255 393 G HA3 0.336 4.296 3.960 -0.000 0.000 0.255 393 G C 1.469 176.387 174.900 0.032 0.000 1.097 393 G CA 0.526 45.610 45.100 -0.027 0.000 0.780 393 G HN 0.370 nan 8.290 nan 0.000 0.540 394 A N 0.789 123.597 122.820 -0.021 0.000 1.902 394 A HA -0.038 4.282 4.320 -0.000 0.000 0.217 394 A C 2.157 179.793 177.584 0.086 0.000 1.181 394 A CA 2.034 54.102 52.037 0.051 0.000 0.623 394 A CB -0.211 18.785 19.000 -0.007 0.000 0.818 394 A HN 0.408 nan 8.150 nan 0.000 0.443 395 M N 0.256 119.851 119.600 -0.008 0.000 2.156 395 M HA -0.041 4.439 4.480 -0.000 0.000 0.264 395 M C 1.421 177.754 176.300 0.055 0.000 1.067 395 M CA 1.601 56.887 55.300 -0.022 0.000 1.131 395 M CB -0.711 31.847 32.600 -0.070 0.000 1.368 395 M HN 0.366 nan 8.290 nan 0.000 0.416 396 N N -0.854 117.886 118.700 0.067 0.000 2.166 396 N HA -0.191 4.549 4.740 -0.000 0.000 0.186 396 N C 1.700 177.258 175.510 0.079 0.000 1.019 396 N CA 1.387 54.479 53.050 0.070 0.000 0.856 396 N CB -0.607 37.922 38.487 0.069 0.000 0.993 396 N HN 0.510 nan 8.380 nan 0.000 0.426 397 Y N 1.760 122.090 120.300 0.050 0.000 2.242 397 Y HA -0.134 4.416 4.550 -0.000 0.000 0.291 397 Y C 2.319 178.284 175.900 0.109 0.000 1.137 397 Y CA 1.428 59.573 58.100 0.076 0.000 1.181 397 Y CB -0.419 38.085 38.460 0.074 0.000 0.989 397 Y HN 0.012 nan 8.280 nan 0.000 0.527 398 T N 0.080 114.741 114.554 0.178 0.000 2.708 398 T HA -0.177 4.173 4.350 -0.000 0.000 0.266 398 T C 1.790 176.548 174.700 0.098 0.000 1.037 398 T CA 1.826 64.040 62.100 0.189 0.000 1.146 398 T CB -0.175 68.868 68.868 0.293 0.000 0.865 398 T HN 0.247 nan 8.240 nan 0.000 0.435 399 K N 0.563 121.009 120.400 0.077 0.000 2.103 399 K HA -0.041 4.279 4.320 -0.000 0.000 0.207 399 K C 2.194 178.790 176.600 -0.007 0.000 1.048 399 K CA 0.921 57.238 56.287 0.050 0.000 0.930 399 K CB -0.361 32.166 32.500 0.044 0.000 0.716 399 K HN 0.143 nan 8.250 nan 0.000 0.444 400 L N 1.188 122.370 121.223 -0.067 0.000 2.017 400 L HA -0.161 4.179 4.340 -0.000 0.000 0.208 400 L C 1.878 178.680 176.870 -0.114 0.000 1.073 400 L CA 1.572 56.344 54.840 -0.114 0.000 0.745 400 L CB -0.333 41.602 42.059 -0.207 0.000 0.894 400 L HN 0.062 nan 8.230 nan 0.000 0.432 401 I N -0.246 120.229 120.570 -0.159 0.000 2.142 401 I HA -0.292 3.878 4.170 -0.000 0.000 0.240 401 I C 2.588 178.706 176.117 0.002 0.000 1.078 401 I CA 1.543 62.803 61.300 -0.067 0.000 1.343 401 I CB -1.313 36.668 38.000 -0.031 0.000 1.046 401 I HN 0.305 nan 8.210 nan 0.000 0.405 402 L N 0.592 121.825 121.223 0.017 0.000 2.131 402 L HA -0.192 4.148 4.340 -0.000 0.000 0.210 402 L C 2.647 179.519 176.870 0.004 0.000 1.092 402 L CA 1.537 56.390 54.840 0.022 0.000 0.759 402 L CB -0.630 41.456 42.059 0.044 0.000 0.903 402 L HN 0.338 nan 8.230 nan 0.000 0.435 403 S N -1.242 114.457 115.700 -0.001 0.000 2.428 403 S HA -0.097 4.373 4.470 -0.000 0.000 0.230 403 S C 1.527 176.126 174.600 -0.002 0.000 1.014 403 S CA 0.646 58.843 58.200 -0.005 0.000 0.957 403 S CB -0.123 63.073 63.200 -0.007 0.000 0.784 403 S HN 0.348 nan 8.310 nan 0.000 0.499 404 E N 1.062 121.264 120.200 0.005 0.000 2.419 404 E HA 0.185 4.535 4.350 -0.000 0.000 0.190 404 E C 1.624 178.245 176.600 0.035 0.000 1.040 404 E CA -0.228 56.185 56.400 0.021 0.000 0.900 404 E CB -0.176 29.543 29.700 0.031 0.000 1.054 404 E HN 0.550 nan 8.360 nan 0.000 0.462 405 R N 1.324 121.834 120.500 0.017 0.000 2.113 405 R HA -0.236 4.104 4.340 -0.000 0.000 0.244 405 R C 1.036 177.333 176.300 -0.005 0.000 1.142 405 R CA 1.828 57.932 56.100 0.006 0.000 0.953 405 R CB 0.240 30.527 30.300 -0.021 0.000 0.860 405 R HN 0.036 nan 8.270 nan 0.000 0.438 406 E N -0.344 119.849 120.200 -0.012 0.000 2.106 406 E HA -0.133 4.217 4.350 -0.000 0.000 0.192 406 E C 2.081 178.686 176.600 0.008 0.000 0.984 406 E CA 1.184 57.572 56.400 -0.019 0.000 0.806 406 E CB -0.192 29.494 29.700 -0.023 0.000 0.750 406 E HN 0.297 nan 8.360 nan 0.000 0.458 407 R N 0.204 120.722 120.500 0.030 0.000 2.092 407 R HA 0.002 4.342 4.340 -0.000 0.000 0.231 407 R C 1.688 178.046 176.300 0.097 0.000 1.119 407 R CA 0.886 57.016 56.100 0.050 0.000 0.970 407 R CB -0.038 30.291 30.300 0.049 0.000 0.864 407 R HN 0.185 nan 8.270 nan 0.000 0.440 408 L N -0.612 120.691 121.223 0.133 0.000 2.509 408 L HA 0.238 4.578 4.340 -0.000 0.000 0.222 408 L C 1.023 178.052 176.870 0.266 0.000 1.123 408 L CA 0.428 55.422 54.840 0.257 0.000 0.856 408 L CB 0.251 42.492 42.059 0.302 0.000 0.985 408 L HN 0.508 nan 8.230 nan 0.000 0.456 409 G N 1.471 110.332 108.800 0.101 0.000 2.246 409 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.273 409 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.273 409 G C -0.053 174.740 174.900 -0.178 0.000 1.055 409 G CA -0.181 44.912 45.100 -0.012 0.000 0.851 409 G HN 0.236 nan 8.290 nan 0.000 0.500 410 I N 1.042 121.530 120.570 -0.137 0.000 2.363 410 I HA 0.268 4.438 4.170 -0.000 0.000 0.292 410 I C 0.919 176.800 176.117 -0.393 0.000 1.075 410 I CA 0.240 61.406 61.300 -0.222 0.000 1.333 410 I CB 0.637 38.607 38.000 -0.050 0.000 1.415 410 I HN 0.103 nan 8.210 nan 0.000 0.502 411 K N 3.522 123.398 120.400 -0.873 0.000 2.106 411 K HA 0.447 4.767 4.320 -0.000 0.000 0.246 411 K C 0.980 177.311 176.600 -0.448 0.000 0.987 411 K CA -0.458 55.293 56.287 -0.892 0.000 0.904 411 K CB 1.173 32.695 32.500 -1.630 0.000 1.071 411 K HN 0.610 nan 8.250 nan 0.000 0.453 412 T N -3.309 111.067 114.554 -0.296 0.000 3.037 412 T HA 0.077 4.427 4.350 -0.000 0.000 0.252 412 T C 0.645 175.314 174.700 -0.051 0.000 1.073 412 T CA -0.176 61.867 62.100 -0.095 0.000 1.091 412 T CB -0.089 68.736 68.868 -0.072 0.000 0.935 412 T HN 0.373 nan 8.240 nan 0.000 0.488 413 V N -1.393 118.423 119.914 -0.163 0.000 2.577 413 V HA 0.831 4.951 4.120 -0.000 0.000 0.303 413 V C -1.833 174.210 176.094 -0.085 0.000 1.042 413 V CA -1.646 60.633 62.300 -0.035 0.000 0.872 413 V CB 0.867 32.670 31.823 -0.034 0.000 0.998 413 V HN 0.355 nan 8.190 nan 0.000 0.423 414 W N 3.233 124.486 121.300 -0.078 0.000 2.882 414 W HA 0.771 5.431 4.660 -0.000 0.000 0.345 414 W C -2.904 173.617 176.519 0.004 0.000 1.125 414 W CA -2.616 54.714 57.345 -0.025 0.000 1.167 414 W CB 1.432 30.898 29.460 0.010 0.000 1.431 414 W HN 0.313 nan 8.180 nan 0.000 0.543 415 P HA 0.160 nan 4.420 nan 0.000 0.282 415 P C 0.799 178.242 177.300 0.238 0.000 1.262 415 P CA 0.172 63.397 63.100 0.207 0.000 0.773 415 P CB 1.015 32.819 31.700 0.173 0.000 0.879 416 T N 2.448 117.097 114.554 0.158 0.000 2.737 416 T HA -0.234 4.116 4.350 -0.000 0.000 0.269 416 T C 1.736 176.527 174.700 0.151 0.000 1.040 416 T CA 1.378 63.558 62.100 0.133 0.000 1.142 416 T CB -0.349 68.563 68.868 0.074 0.000 0.861 416 T HN 0.458 nan 8.240 nan 0.000 0.456 417 R N 0.934 121.514 120.500 0.133 0.000 2.105 417 R HA -0.122 4.218 4.340 -0.000 0.000 0.239 417 R C 2.259 178.648 176.300 0.148 0.000 1.135 417 R CA 1.612 57.782 56.100 0.117 0.000 0.967 417 R CB -0.088 30.271 30.300 0.098 0.000 0.861 417 R HN 0.524 nan 8.270 nan 0.000 0.442 418 E N -0.941 119.389 120.200 0.217 0.000 2.152 418 E HA -0.216 4.134 4.350 -0.000 0.000 0.192 418 E C 1.611 178.394 176.600 0.304 0.000 0.983 418 E CA 1.024 57.602 56.400 0.296 0.000 0.818 418 E CB -0.149 29.781 29.700 0.384 0.000 0.758 418 E HN 0.404 nan 8.360 nan 0.000 0.467 419 Y N 1.645 121.967 120.300 0.037 0.000 2.242 419 Y HA -0.187 4.363 4.550 0.000 0.000 0.291 419 Y C 2.342 178.131 175.900 -0.186 0.000 1.137 419 Y CA 1.574 59.399 58.100 -0.459 0.000 1.181 419 Y CB -0.284 37.719 38.460 -0.762 0.000 0.989 419 Y HN -0.115 nan 8.280 nan 0.000 0.527 420 T N 0.268 114.782 114.554 -0.065 0.000 2.746 420 T HA -0.159 4.191 4.350 -0.000 0.000 0.267 420 T C 1.283 175.934 174.700 -0.082 0.000 1.039 420 T CA 1.693 63.731 62.100 -0.103 0.000 1.142 420 T CB -0.315 68.557 68.868 0.007 0.000 0.866 420 T HN 0.358 nan 8.240 nan 0.000 0.444 421 D N 0.501 120.917 120.400 0.028 0.000 2.117 421 D HA -0.042 4.598 4.640 -0.000 0.000 0.197 421 D C 1.623 177.997 176.300 0.124 0.000 0.987 421 D CA 0.629 54.678 54.000 0.081 0.000 0.829 421 D CB -0.474 40.409 40.800 0.138 0.000 0.961 421 D HN 0.369 nan 8.370 nan 0.000 0.460 422 F N 1.619 121.566 119.950 -0.004 0.000 2.161 422 F HA -0.137 4.390 4.527 0.000 0.000 0.300 422 F C 2.239 177.937 175.800 -0.170 0.000 1.089 422 F CA 1.356 59.391 58.000 0.058 0.000 1.282 422 F CB 0.056 38.987 39.000 -0.114 0.000 1.010 422 F HN -0.203 nan 8.300 nan 0.000 0.485 423 R N 0.153 120.430 120.500 -0.372 0.000 2.092 423 R HA -0.131 4.209 4.340 -0.000 0.000 0.231 423 R C 2.294 178.439 176.300 -0.258 0.000 1.119 423 R CA 1.495 57.346 56.100 -0.415 0.000 0.970 423 R CB -0.361 29.688 30.300 -0.419 0.000 0.864 423 R HN 0.365 nan 8.270 nan 0.000 0.440 424 E N 0.060 120.169 120.200 -0.152 0.000 2.031 424 E HA -0.221 4.129 4.350 -0.000 0.000 0.193 424 E C 1.803 178.368 176.600 -0.057 0.000 0.994 424 E CA 1.212 57.565 56.400 -0.078 0.000 0.800 424 E CB -0.340 29.345 29.700 -0.026 0.000 0.752 424 E HN 0.379 nan 8.360 nan 0.000 0.447 425 Y N -0.014 120.191 120.300 -0.158 0.000 2.446 425 Y HA -0.194 4.356 4.550 -0.000 0.000 0.287 425 Y C 1.614 177.371 175.900 -0.238 0.000 1.159 425 Y CA 0.917 58.919 58.100 -0.163 0.000 1.297 425 Y CB -0.581 37.813 38.460 -0.110 0.000 0.974 425 Y HN -0.031 nan 8.280 nan 0.000 0.557 426 F N -0.640 118.929 119.950 -0.635 0.000 2.383 426 F HA 0.078 4.605 4.527 0.000 0.000 0.287 426 F C 2.290 177.893 175.800 -0.328 0.000 1.069 426 F CA 0.754 58.360 58.000 -0.657 0.000 1.402 426 F CB -0.074 38.420 39.000 -0.844 0.000 1.116 426 F HN -0.040 nan 8.300 nan 0.000 0.549 427 M N -0.300 119.213 119.600 -0.145 0.000 2.476 427 M HA -0.098 4.382 4.480 -0.000 0.000 0.262 427 M C -0.122 176.106 176.300 -0.121 0.000 1.079 427 M CA 1.336 56.570 55.300 -0.111 0.000 1.104 427 M CB -0.011 32.542 32.600 -0.079 0.000 1.409 427 M HN -0.021 nan 8.290 nan 0.000 0.467 428 E N 0.198 120.322 120.200 -0.125 0.000 3.012 428 E HA 0.360 4.710 4.350 -0.000 0.000 0.228 428 E C -0.944 175.591 176.600 -0.109 0.000 1.184 428 E CA -0.315 56.030 56.400 -0.091 0.000 1.407 428 E CB 0.725 30.394 29.700 -0.052 0.000 1.438 428 E HN 0.052 nan 8.360 nan 0.000 0.435 429 V N 0.000 119.814 119.914 -0.167 0.000 2.409 429 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 429 V CA 0.000 62.188 62.300 -0.188 0.000 1.235 429 V CB 0.000 31.671 31.823 -0.254 0.000 1.184 429 V HN 0.000 nan 8.190 nan 0.000 0.556