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 1h6v_1_A DATA FIRST_RESID 10 DATA SEQUENCE SYDFDLIIIG GGSGGLAAAK EAAKFDKKVM VLDFVTPTPL GTNWGLGGTc DATA SEQUENCE VNVGcIPKKL MHQAALLGQA LKDSRNYGWK LEDTVKHDWE KMTESVQNHI DATA SEQUENCE GSLNWGYRVA LREKKVVYEN AYGKFIGPHK IMATNNKGKE KVYSAERFLI DATA SEQUENCE ATGERPRYLG IPGDKEYCIS SDDLFSLPYC PGKTLVVGAS YVALECAGFL DATA SEQUENCE AGIGLDVTVM VRSILLRGFD QDMANKIGEH MEEHGIKFIR QFVPTKIEQI DATA SEQUENCE EAGTPGRLKV TAKSTNSEET IEDEFNTVLL AVGRDSCTRT IGLETVGVKI DATA SEQUENCE NEKTGKIPVT DEEQTNVPYI YAIGDILEGK LELTPVAIQA GRLLAQRLYG DATA SEQUENCE GSTVKCDYDN VPTTVFTPLE YGCCGLSEEK AVEKFGEENI EVYHSFFWPL DATA SEQUENCE EWTVPSRDNN KCYAKVICNL KDNERVVGFH VLGPNAGEVT QGFAAALKCG DATA SEQUENCE LTKQQLDSTI GIHPVCAEIF TTLSVTKRSG GDILQSGCCG 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 10 S HA 0.000 nan 4.470 nan 0.000 0.327 10 S C 0.000 174.518 174.600 -0.137 0.000 1.055 10 S CA 0.000 58.114 58.200 -0.143 0.000 1.107 10 S CB 0.000 63.106 63.200 -0.157 0.000 0.593 11 Y N 2.079 122.363 120.300 -0.026 0.000 2.335 11 Y HA 0.202 4.752 4.550 0.000 0.000 0.348 11 Y C 1.835 177.717 175.900 -0.029 0.000 1.280 11 Y CA 0.393 58.498 58.100 0.009 0.000 1.504 11 Y CB 0.319 38.816 38.460 0.062 0.000 1.366 11 Y HN 0.177 nan 8.280 nan 0.000 0.621 12 D N 0.142 120.642 120.400 0.165 0.000 2.075 12 D HA -0.106 4.534 4.640 0.000 0.000 0.196 12 D C -0.253 175.834 176.300 -0.355 0.000 0.985 12 D CA 1.661 55.586 54.000 -0.125 0.000 0.834 12 D CB -0.055 40.730 40.800 -0.026 0.000 0.987 12 D HN 0.228 nan 8.370 nan 0.000 0.452 13 F N 0.464 120.492 119.950 0.130 0.000 2.561 13 F HA 0.228 4.755 4.527 0.000 0.000 0.321 13 F C 1.317 177.125 175.800 0.013 0.000 1.065 13 F CA -0.965 57.063 58.000 0.047 0.000 0.934 13 F CB 1.367 40.356 39.000 -0.018 0.000 1.215 13 F HN -0.258 nan 8.300 nan 0.000 0.471 14 D N 0.980 121.488 120.400 0.180 0.000 2.317 14 D HA 0.041 4.681 4.640 0.000 0.000 0.211 14 D C -0.059 176.276 176.300 0.058 0.000 0.966 14 D CA 1.007 55.045 54.000 0.063 0.000 0.876 14 D CB 0.752 41.532 40.800 -0.033 0.000 0.927 14 D HN 0.173 nan 8.370 nan 0.000 0.519 15 L N 0.402 121.671 121.223 0.076 0.000 2.565 15 L HA 0.406 4.746 4.340 0.000 0.000 0.261 15 L C -1.982 174.780 176.870 -0.179 0.000 0.932 15 L CA -0.527 54.298 54.840 -0.025 0.000 0.878 15 L CB 2.639 44.755 42.059 0.095 0.000 1.333 15 L HN -0.239 nan 8.230 nan 0.000 0.409 16 I N 5.262 125.592 120.570 -0.399 0.000 2.509 16 I HA 0.500 4.670 4.170 0.000 0.000 0.293 16 I C -0.842 175.116 176.117 -0.264 0.000 1.020 16 I CA -0.623 60.404 61.300 -0.454 0.000 1.088 16 I CB 2.123 39.733 38.000 -0.650 0.000 1.267 16 I HN 0.514 nan 8.210 nan 0.000 0.430 17 I N 6.930 127.381 120.570 -0.198 0.000 2.382 17 I HA 0.346 4.516 4.170 0.000 0.000 0.286 17 I C -0.285 175.772 176.117 -0.100 0.000 1.002 17 I CA -0.415 60.824 61.300 -0.102 0.000 1.135 17 I CB 1.518 39.461 38.000 -0.095 0.000 1.288 17 I HN 0.349 nan 8.210 nan 0.000 0.448 18 I N 6.635 127.167 120.570 -0.064 0.000 2.243 18 I HA 0.465 4.635 4.170 0.000 0.000 0.297 18 I C 0.576 176.639 176.117 -0.090 0.000 1.161 18 I CA -0.034 61.196 61.300 -0.115 0.000 1.298 18 I CB 0.035 37.938 38.000 -0.162 0.000 1.475 18 I HN 0.810 nan 8.210 nan 0.000 0.561 19 G N 3.203 111.958 108.800 -0.075 0.000 2.621 19 G HA2 0.093 4.053 3.960 0.000 0.000 0.355 19 G HA3 0.093 4.053 3.960 0.000 0.000 0.355 19 G C -0.045 174.833 174.900 -0.036 0.000 1.509 19 G CA -0.640 44.436 45.100 -0.040 0.000 1.000 19 G HN 0.690 nan 8.290 nan 0.000 0.646 20 G N 0.505 109.292 108.800 -0.021 0.000 3.562 20 G HA2 0.601 4.561 3.960 0.000 0.000 0.279 20 G HA3 0.601 4.561 3.960 0.000 0.000 0.279 20 G C 0.889 175.719 174.900 -0.117 0.000 1.314 20 G CA 0.916 45.978 45.100 -0.063 0.000 1.189 20 G HN 1.117 nan 8.290 nan 0.000 0.562 21 G N -0.222 108.529 108.800 -0.082 0.000 2.543 21 G HA2 0.355 4.315 3.960 0.000 0.000 0.267 21 G HA3 0.355 4.315 3.960 0.000 0.000 0.267 21 G C 1.199 176.028 174.900 -0.118 0.000 1.406 21 G CA 0.282 45.333 45.100 -0.081 0.000 1.048 21 G HN 0.148 nan 8.290 nan 0.000 0.548 22 S N -0.466 115.191 115.700 -0.070 0.000 2.359 22 S HA -0.124 4.346 4.470 0.000 0.000 0.224 22 S C 2.429 177.002 174.600 -0.046 0.000 1.035 22 S CA 1.860 60.026 58.200 -0.057 0.000 1.018 22 S CB -0.629 62.562 63.200 -0.015 0.000 0.876 22 S HN 0.754 nan 8.310 nan 0.000 0.448 23 G N 0.732 109.516 108.800 -0.026 0.000 2.395 23 G HA2 0.079 4.039 3.960 0.000 0.000 0.214 23 G HA3 0.079 4.039 3.960 0.000 0.000 0.214 23 G C 1.441 176.320 174.900 -0.035 0.000 1.177 23 G CA 0.806 45.895 45.100 -0.018 0.000 0.794 23 G HN 0.556 nan 8.290 nan 0.000 0.532 24 G N 1.347 110.120 108.800 -0.044 0.000 2.545 24 G HA2 -0.230 3.730 3.960 0.000 0.000 0.217 24 G HA3 -0.230 3.730 3.960 0.000 0.000 0.217 24 G C 1.810 176.667 174.900 -0.072 0.000 1.218 24 G CA 0.955 46.022 45.100 -0.055 0.000 0.787 24 G HN 0.390 nan 8.290 nan 0.000 0.571 25 L N 0.867 122.026 121.223 -0.108 0.000 2.081 25 L HA -0.146 4.194 4.340 0.000 0.000 0.212 25 L C 3.428 180.272 176.870 -0.044 0.000 1.080 25 L CA 1.052 55.827 54.840 -0.108 0.000 0.754 25 L CB -0.540 41.377 42.059 -0.238 0.000 0.893 25 L HN 0.342 nan 8.230 nan 0.000 0.433 26 A N 0.256 123.054 122.820 -0.038 0.000 1.858 26 A HA -0.193 4.127 4.320 0.000 0.000 0.216 26 A C 2.585 180.152 177.584 -0.028 0.000 1.190 26 A CA 1.886 53.913 52.037 -0.017 0.000 0.617 26 A CB -0.794 18.194 19.000 -0.020 0.000 0.827 26 A HN 0.397 nan 8.150 nan 0.000 0.443 27 A N -0.209 122.583 122.820 -0.047 0.000 1.908 27 A HA 0.124 4.444 4.320 0.000 0.000 0.218 27 A C 2.517 180.069 177.584 -0.054 0.000 1.181 27 A CA 2.305 54.300 52.037 -0.070 0.000 0.627 27 A CB -1.100 17.848 19.000 -0.086 0.000 0.818 27 A HN 1.094 nan 8.150 nan 0.000 0.445 28 A N 1.025 123.821 122.820 -0.040 0.000 1.851 28 A HA -0.238 4.082 4.320 0.000 0.000 0.216 28 A C 2.129 179.720 177.584 0.011 0.000 1.195 28 A CA 2.509 54.534 52.037 -0.019 0.000 0.622 28 A CB -0.721 18.265 19.000 -0.025 0.000 0.831 28 A HN 0.730 nan 8.150 nan 0.000 0.444 29 K N -1.090 119.319 120.400 0.016 0.000 2.059 29 K HA -0.260 4.060 4.320 0.000 0.000 0.212 29 K C 1.746 178.375 176.600 0.048 0.000 1.050 29 K CA 1.944 58.250 56.287 0.033 0.000 0.927 29 K CB -0.282 32.239 32.500 0.035 0.000 0.714 29 K HN 0.313 nan 8.250 nan 0.000 0.447 30 E N 0.895 121.121 120.200 0.043 0.000 2.015 30 E HA -0.088 4.262 4.350 0.000 0.000 0.191 30 E C 2.260 178.959 176.600 0.166 0.000 0.991 30 E CA 1.427 57.883 56.400 0.093 0.000 0.802 30 E CB -0.705 29.022 29.700 0.045 0.000 0.759 30 E HN 0.458 nan 8.360 nan 0.000 0.447 31 A N 1.504 124.359 122.820 0.058 0.000 1.940 31 A HA -0.270 4.050 4.320 0.000 0.000 0.221 31 A C 2.393 180.133 177.584 0.261 0.000 1.190 31 A CA 2.864 54.948 52.037 0.077 0.000 0.647 31 A CB -0.898 18.104 19.000 0.003 0.000 0.821 31 A HN 0.301 nan 8.150 nan 0.000 0.457 32 A N -0.570 122.351 122.820 0.168 0.000 2.131 32 A HA -0.163 4.157 4.320 0.000 0.000 0.220 32 A C 1.968 179.636 177.584 0.139 0.000 1.158 32 A CA 1.758 53.884 52.037 0.147 0.000 0.665 32 A CB -0.444 18.607 19.000 0.086 0.000 0.795 32 A HN 0.651 nan 8.150 nan 0.000 0.460 33 K N -1.403 119.087 120.400 0.150 0.000 2.288 33 K HA -0.002 4.318 4.320 0.000 0.000 0.201 33 K C 0.053 176.560 176.600 -0.155 0.000 1.048 33 K CA 0.849 57.102 56.287 -0.056 0.000 0.956 33 K CB -0.100 32.270 32.500 -0.217 0.000 0.746 33 K HN 0.538 nan 8.250 nan 0.000 0.461 34 F N 1.652 121.650 119.950 0.081 0.000 2.660 34 F HA 0.102 4.629 4.527 -0.000 0.000 0.297 34 F C -0.014 175.834 175.800 0.080 0.000 1.132 34 F CA -0.752 57.305 58.000 0.095 0.000 1.372 34 F CB -0.392 38.703 39.000 0.160 0.000 1.003 34 F HN 0.042 nan 8.300 nan 0.000 0.524 35 D N 2.442 122.950 120.400 0.180 0.000 3.400 35 D HA -0.208 4.432 4.640 0.000 0.000 0.226 35 D C -0.551 175.827 176.300 0.130 0.000 1.152 35 D CA 0.675 54.749 54.000 0.124 0.000 1.008 35 D CB -0.031 40.815 40.800 0.077 0.000 0.866 35 D HN 0.165 nan 8.370 nan 0.000 0.402 36 K N 2.321 122.811 120.400 0.151 0.000 2.477 36 K HA 0.357 4.677 4.320 0.000 0.000 0.255 36 K C -0.018 176.666 176.600 0.139 0.000 0.952 36 K CA -0.815 55.540 56.287 0.114 0.000 0.826 36 K CB 1.468 34.050 32.500 0.136 0.000 1.331 36 K HN 0.134 nan 8.250 nan 0.000 0.437 37 K N 1.680 122.161 120.400 0.135 0.000 2.349 37 K HA 0.247 4.567 4.320 0.000 0.000 0.289 37 K C -0.186 176.588 176.600 0.289 0.000 1.064 37 K CA -0.294 56.123 56.287 0.218 0.000 0.947 37 K CB 0.451 33.060 32.500 0.182 0.000 1.007 37 K HN 0.305 nan 8.250 nan 0.000 0.478 38 V N 1.489 121.542 119.914 0.231 0.000 2.735 38 V HA 0.591 4.711 4.120 0.000 0.000 0.310 38 V C -0.563 175.444 176.094 -0.145 0.000 1.061 38 V CA -1.198 61.141 62.300 0.065 0.000 0.913 38 V CB 1.804 33.656 31.823 0.048 0.000 1.005 38 V HN 0.800 nan 8.190 nan 0.000 0.428 39 M N 4.460 123.768 119.600 -0.488 0.000 2.393 39 M HA 0.821 5.301 4.480 0.000 0.000 0.299 39 M C -1.692 174.358 176.300 -0.416 0.000 1.103 39 M CA -0.764 54.132 55.300 -0.674 0.000 0.910 39 M CB 2.166 33.831 32.600 -1.557 0.000 1.659 39 M HN 0.866 nan 8.290 nan 0.000 0.445 40 V N 6.659 126.427 119.914 -0.242 0.000 2.487 40 V HA 0.589 4.709 4.120 0.000 0.000 0.298 40 V C -1.351 174.676 176.094 -0.112 0.000 1.028 40 V CA -0.587 61.625 62.300 -0.147 0.000 0.860 40 V CB 1.674 33.460 31.823 -0.061 0.000 0.991 40 V HN 0.944 nan 8.190 nan 0.000 0.427 41 L N 5.080 126.212 121.223 -0.151 0.000 2.334 41 L HA 0.707 5.047 4.340 0.000 0.000 0.277 41 L C -0.652 176.200 176.870 -0.030 0.000 1.075 41 L CA -0.263 54.500 54.840 -0.129 0.000 0.804 41 L CB 1.571 43.526 42.059 -0.174 0.000 1.174 41 L HN 0.753 nan 8.230 nan 0.000 0.438 42 D N 1.804 122.230 120.400 0.044 0.000 2.977 42 D HA 0.545 5.185 4.640 0.000 0.000 0.220 42 D C -1.755 174.650 176.300 0.174 0.000 1.267 42 D CA -0.182 53.881 54.000 0.104 0.000 0.884 42 D CB 1.873 42.761 40.800 0.146 0.000 1.667 42 D HN 0.254 nan 8.370 nan 0.000 0.536 43 F N 3.226 123.182 119.950 0.009 0.000 2.596 43 F HA 0.544 5.071 4.527 -0.000 0.000 0.311 43 F C -1.584 174.219 175.800 0.005 0.000 1.116 43 F CA -0.615 57.399 58.000 0.024 0.000 0.957 43 F CB 1.766 40.834 39.000 0.114 0.000 1.250 43 F HN 0.134 nan 8.300 nan 0.000 0.444 44 V N 4.327 123.845 119.914 -0.659 0.000 2.293 44 V HA 0.255 4.375 4.120 0.000 0.000 0.275 44 V C -0.055 175.763 176.094 -0.459 0.000 1.021 44 V CA -0.598 61.405 62.300 -0.495 0.000 0.815 44 V CB 1.204 32.536 31.823 -0.818 0.000 1.025 44 V HN 0.839 nan 8.190 nan 0.000 0.448 45 T N 4.531 119.050 114.554 -0.059 0.000 2.928 45 T HA 0.292 4.642 4.350 0.000 0.000 0.305 45 T C -2.235 172.356 174.700 -0.181 0.000 1.035 45 T CA -0.948 61.145 62.100 -0.011 0.000 1.145 45 T CB 0.797 69.686 68.868 0.034 0.000 0.963 45 T HN 0.396 nan 8.240 nan 0.000 0.545 46 P HA 0.229 nan 4.420 nan 0.000 0.272 46 P C 0.460 177.727 177.300 -0.055 0.000 1.230 46 P CA -0.493 62.515 63.100 -0.152 0.000 0.788 46 P CB 0.354 32.000 31.700 -0.089 0.000 0.949 47 T N -1.002 113.556 114.554 0.007 0.000 2.788 47 T HA 0.235 4.585 4.350 0.000 0.000 0.287 47 T C -1.797 172.930 174.700 0.046 0.000 1.007 47 T CA -1.479 60.679 62.100 0.097 0.000 1.005 47 T CB -0.134 68.847 68.868 0.189 0.000 1.012 47 T HN 0.170 nan 8.240 nan 0.000 0.530 48 P HA 0.004 nan 4.420 nan 0.000 0.218 48 P C 1.305 178.601 177.300 -0.006 0.000 1.149 48 P CA 0.490 63.564 63.100 -0.044 0.000 0.817 48 P CB -0.045 31.558 31.700 -0.161 0.000 0.785 49 L N -1.716 119.536 121.223 0.048 0.000 2.610 49 L HA 0.216 4.556 4.340 0.000 0.000 0.232 49 L C 1.479 178.379 176.870 0.050 0.000 1.149 49 L CA 1.370 56.242 54.840 0.054 0.000 0.872 49 L CB -1.929 40.184 42.059 0.090 0.000 0.992 49 L HN 0.201 nan 8.230 nan 0.000 0.447 50 G N 0.416 109.238 108.800 0.037 0.000 2.160 50 G HA2 -0.274 3.686 3.960 0.000 0.000 0.244 50 G HA3 -0.274 3.686 3.960 0.000 0.000 0.244 50 G C 0.490 175.407 174.900 0.028 0.000 1.022 50 G CA 0.558 45.669 45.100 0.019 0.000 0.741 50 G HN 0.454 nan 8.290 nan 0.000 0.508 51 T N -1.326 113.272 114.554 0.073 0.000 2.909 51 T HA 0.697 5.047 4.350 0.000 0.000 0.289 51 T C 0.065 174.773 174.700 0.013 0.000 1.005 51 T CA -0.416 61.757 62.100 0.122 0.000 1.084 51 T CB 2.239 71.251 68.868 0.240 0.000 0.975 51 T HN 0.265 nan 8.240 nan 0.000 0.509 52 N N 0.532 119.231 118.700 -0.001 0.000 2.697 52 N HA 0.764 5.504 4.740 0.000 0.000 0.272 52 N C -1.231 174.314 175.510 0.058 0.000 1.381 52 N CA -0.798 52.063 53.050 -0.315 0.000 0.797 52 N CB 1.706 40.012 38.487 -0.302 0.000 1.523 52 N HN 0.957 nan 8.380 nan 0.000 0.518 53 W N -1.819 119.457 121.300 -0.040 0.000 2.895 53 W HA 0.767 5.427 4.660 0.000 0.000 0.377 53 W C -0.259 176.220 176.519 -0.067 0.000 1.191 53 W CA -1.211 56.117 57.345 -0.028 0.000 1.179 53 W CB 0.122 29.585 29.460 0.005 0.000 1.469 53 W HN 0.542 nan 8.180 nan 0.000 0.577 54 G N 0.555 109.496 108.800 0.235 0.000 2.568 54 G HA2 0.515 4.475 3.960 0.000 0.000 0.293 54 G HA3 0.515 4.475 3.960 0.000 0.000 0.293 54 G C -0.874 174.069 174.900 0.071 0.000 1.347 54 G CA -1.252 43.881 45.100 0.055 0.000 1.039 54 G HN 0.803 nan 8.290 nan 0.000 0.523 55 L N 0.000 121.195 121.223 -0.046 0.000 2.554 55 L HA 0.271 4.611 4.340 0.000 0.000 0.293 55 L C 1.527 178.346 176.870 -0.084 0.000 1.252 55 L CA 2.117 56.896 54.840 -0.102 0.000 0.862 55 L CB 0.753 42.654 42.059 -0.264 0.000 1.113 55 L HN 1.056 nan 8.230 nan 0.000 0.510 56 G N 1.711 110.395 108.800 -0.192 0.000 2.480 56 G HA2 0.055 4.015 3.960 0.000 0.000 0.193 56 G HA3 0.055 4.015 3.960 0.000 0.000 0.193 56 G C 0.494 175.298 174.900 -0.159 0.000 1.004 56 G CA -0.081 44.843 45.100 -0.293 0.000 0.696 56 G HN 1.619 nan 8.290 nan 0.000 0.478 57 G N -1.188 107.611 108.800 -0.003 0.000 2.728 57 G HA2 0.145 4.105 3.960 0.000 0.000 0.294 57 G HA3 0.145 4.105 3.960 0.000 0.000 0.294 57 G C 0.744 175.673 174.900 0.049 0.000 1.342 57 G CA 0.592 45.721 45.100 0.048 0.000 0.866 57 G HN 1.159 nan 8.290 nan 0.000 0.534 58 T N -0.515 114.074 114.554 0.058 0.000 2.674 58 T HA -0.217 4.133 4.350 0.000 0.000 0.265 58 T C 2.521 177.185 174.700 -0.060 0.000 1.039 58 T CA 2.624 64.728 62.100 0.007 0.000 1.150 58 T CB -0.632 68.277 68.868 0.067 0.000 0.864 58 T HN 1.111 nan 8.240 nan 0.000 0.427 59 c N 1.158 119.744 118.600 -0.024 0.000 2.398 59 c HA -0.078 4.492 4.570 0.000 0.000 0.276 59 c C 2.796 176.838 174.090 -0.081 0.000 1.222 59 c CA 0.740 57.047 56.329 -0.037 0.000 1.746 59 c CB -1.257 41.247 42.510 -0.009 0.000 2.039 59 c HN 0.380 nan 8.230 nan 0.000 0.470 60 V N 1.393 121.269 119.914 -0.063 0.000 2.358 60 V HA -0.158 3.962 4.120 0.000 0.000 0.246 60 V C 2.210 178.235 176.094 -0.114 0.000 1.047 60 V CA 2.398 64.669 62.300 -0.048 0.000 1.035 60 V CB -0.591 31.238 31.823 0.010 0.000 0.658 60 V HN 0.609 nan 8.190 nan 0.000 0.452 61 N N -0.456 118.124 118.700 -0.200 0.000 2.414 61 N HA 0.045 4.785 4.740 0.000 0.000 0.177 61 N C 1.025 176.269 175.510 -0.445 0.000 1.062 61 N CA 1.415 54.275 53.050 -0.317 0.000 0.890 61 N CB 1.514 39.719 38.487 -0.470 0.000 1.070 61 N HN 0.511 nan 8.380 nan 0.000 0.454 62 V N -2.983 116.667 119.914 -0.441 0.000 3.293 62 V HA 0.596 4.716 4.120 0.000 0.000 0.381 62 V C 0.221 176.276 176.094 -0.065 0.000 1.465 62 V CA -0.172 61.980 62.300 -0.247 0.000 1.331 62 V CB 0.456 31.955 31.823 -0.539 0.000 1.160 62 V HN 0.094 nan 8.190 nan 0.000 0.565 63 G N 0.135 108.823 108.800 -0.187 0.000 3.359 63 G HA2 0.233 4.193 3.960 0.000 0.000 0.187 63 G HA3 0.233 4.193 3.960 0.000 0.000 0.187 63 G C 1.052 175.846 174.900 -0.177 0.000 1.294 63 G CA 0.669 45.725 45.100 -0.073 0.000 0.769 63 G HN 0.423 nan 8.290 nan 0.000 0.733 64 c N 1.067 119.617 118.600 -0.083 0.000 2.367 64 c HA -0.082 4.488 4.570 0.000 0.000 0.276 64 c C 2.713 176.662 174.090 -0.235 0.000 1.195 64 c CA 0.594 56.853 56.329 -0.117 0.000 1.756 64 c CB -1.507 40.968 42.510 -0.058 0.000 2.046 64 c HN 0.413 nan 8.230 nan 0.000 0.453 65 I N 2.493 122.940 120.570 -0.205 0.000 2.064 65 I HA -0.163 4.007 4.170 0.000 0.000 0.234 65 I C 0.036 175.947 176.117 -0.343 0.000 1.019 65 I CA 1.943 63.117 61.300 -0.209 0.000 1.301 65 I CB -2.872 35.064 38.000 -0.107 0.000 1.017 65 I HN 0.146 nan 8.210 nan 0.000 0.392 66 P HA -0.211 nan 4.420 nan 0.000 0.215 66 P C 1.825 178.661 177.300 -0.773 0.000 1.163 66 P CA 1.809 64.477 63.100 -0.721 0.000 0.894 66 P CB -0.222 30.790 31.700 -1.147 0.000 0.791 67 K N 0.610 120.505 120.400 -0.842 0.000 2.000 67 K HA -0.259 4.061 4.320 0.000 0.000 0.218 67 K C 2.056 178.431 176.600 -0.375 0.000 1.053 67 K CA 2.312 58.340 56.287 -0.430 0.000 0.946 67 K CB -0.877 31.558 32.500 -0.108 0.000 0.723 67 K HN -0.147 nan 8.250 nan 0.000 0.446 68 K N 0.896 121.077 120.400 -0.365 0.000 2.020 68 K HA -0.109 4.211 4.320 0.000 0.000 0.212 68 K C 2.355 178.781 176.600 -0.290 0.000 1.050 68 K CA 1.679 57.753 56.287 -0.356 0.000 0.929 68 K CB -0.494 31.739 32.500 -0.445 0.000 0.714 68 K HN 0.271 nan 8.250 nan 0.000 0.443 69 L N -0.130 120.891 121.223 -0.337 0.000 2.043 69 L HA -0.240 4.100 4.340 0.000 0.000 0.212 69 L C 2.546 179.213 176.870 -0.338 0.000 1.075 69 L CA 1.724 56.375 54.840 -0.315 0.000 0.752 69 L CB -0.348 41.523 42.059 -0.313 0.000 0.891 69 L HN 0.323 nan 8.230 nan 0.000 0.432 70 M N -1.945 117.366 119.600 -0.480 0.000 2.288 70 M HA -0.155 4.325 4.480 0.000 0.000 0.266 70 M C 2.292 178.321 176.300 -0.451 0.000 1.072 70 M CA 1.025 55.968 55.300 -0.595 0.000 1.132 70 M CB -0.495 31.448 32.600 -1.097 0.000 1.386 70 M HN 0.234 nan 8.290 nan 0.000 0.432 71 H N 0.724 119.509 119.070 -0.475 0.000 2.352 71 H HA -0.213 4.343 4.556 -0.000 0.000 0.299 71 H C 1.986 177.254 175.328 -0.100 0.000 1.097 71 H CA 2.182 58.142 56.048 -0.147 0.000 1.311 71 H CB -0.105 29.617 29.762 -0.066 0.000 1.377 71 H HN 0.290 nan 8.280 nan 0.000 0.504 72 Q N 0.339 119.976 119.800 -0.271 0.000 2.167 72 Q HA 0.023 4.363 4.340 0.000 0.000 0.202 72 Q C 2.318 178.187 176.000 -0.218 0.000 0.970 72 Q CA 1.562 57.198 55.803 -0.279 0.000 0.855 72 Q CB -0.630 27.979 28.738 -0.216 0.000 0.911 72 Q HN 0.539 nan 8.270 nan 0.000 0.438 73 A N 0.309 123.007 122.820 -0.204 0.000 1.902 73 A HA -0.045 4.275 4.320 0.000 0.000 0.217 73 A C 2.289 179.779 177.584 -0.156 0.000 1.181 73 A CA 1.865 53.803 52.037 -0.166 0.000 0.623 73 A CB -1.152 17.743 19.000 -0.176 0.000 0.818 73 A HN 0.527 nan 8.150 nan 0.000 0.443 74 A N -0.326 122.422 122.820 -0.121 0.000 1.873 74 A HA 0.010 4.330 4.320 0.000 0.000 0.215 74 A C 2.148 179.681 177.584 -0.085 0.000 1.186 74 A CA 1.395 53.396 52.037 -0.059 0.000 0.616 74 A CB -0.624 18.420 19.000 0.073 0.000 0.823 74 A HN 0.455 nan 8.150 nan 0.000 0.442 75 L N -0.654 120.469 121.223 -0.167 0.000 2.127 75 L HA -0.173 4.167 4.340 0.000 0.000 0.211 75 L C 2.291 179.111 176.870 -0.084 0.000 1.089 75 L CA 0.508 55.268 54.840 -0.133 0.000 0.757 75 L CB -0.438 41.497 42.059 -0.205 0.000 0.899 75 L HN 0.273 nan 8.230 nan 0.000 0.434 76 L N -0.107 121.057 121.223 -0.099 0.000 2.141 76 L HA -0.069 4.271 4.340 0.000 0.000 0.209 76 L C 2.578 179.418 176.870 -0.050 0.000 1.094 76 L CA 1.793 56.589 54.840 -0.074 0.000 0.763 76 L CB -1.964 40.047 42.059 -0.081 0.000 0.908 76 L HN 0.217 nan 8.230 nan 0.000 0.437 77 G N -1.095 107.675 108.800 -0.049 0.000 2.459 77 G HA2 -0.369 3.591 3.960 0.000 0.000 0.217 77 G HA3 -0.369 3.591 3.960 0.000 0.000 0.217 77 G C 1.508 176.402 174.900 -0.011 0.000 1.183 77 G CA 0.861 45.946 45.100 -0.025 0.000 0.776 77 G HN 0.355 nan 8.290 nan 0.000 0.552 78 Q N 0.865 120.657 119.800 -0.014 0.000 2.181 78 Q HA 0.071 4.411 4.340 0.000 0.000 0.205 78 Q C 2.610 178.612 176.000 0.003 0.000 0.980 78 Q CA 1.858 57.655 55.803 -0.009 0.000 0.862 78 Q CB -0.710 28.016 28.738 -0.020 0.000 0.905 78 Q HN 0.407 nan 8.270 nan 0.000 0.429 79 A N -0.039 122.779 122.820 -0.003 0.000 1.898 79 A HA -0.106 4.214 4.320 0.000 0.000 0.216 79 A C 2.076 179.663 177.584 0.005 0.000 1.181 79 A CA 1.338 53.376 52.037 0.002 0.000 0.620 79 A CB -0.683 18.299 19.000 -0.031 0.000 0.819 79 A HN 0.444 nan 8.150 nan 0.000 0.442 80 L N -1.015 120.204 121.223 -0.007 0.000 2.046 80 L HA -0.210 4.130 4.340 0.000 0.000 0.208 80 L C 2.559 179.454 176.870 0.041 0.000 1.077 80 L CA 1.824 56.665 54.840 0.002 0.000 0.747 80 L CB -0.571 41.489 42.059 0.002 0.000 0.896 80 L HN 0.322 nan 8.230 nan 0.000 0.432 81 K N 0.152 120.576 120.400 0.040 0.000 2.026 81 K HA -0.172 4.148 4.320 0.000 0.000 0.208 81 K C 1.778 178.427 176.600 0.082 0.000 1.048 81 K CA 1.648 57.966 56.287 0.051 0.000 0.929 81 K CB -0.126 32.392 32.500 0.030 0.000 0.713 81 K HN 0.188 nan 8.250 nan 0.000 0.439 82 D N 0.041 120.500 120.400 0.099 0.000 2.149 82 D HA -0.137 4.503 4.640 0.000 0.000 0.198 82 D C 1.851 178.322 176.300 0.285 0.000 0.990 82 D CA 1.572 55.679 54.000 0.178 0.000 0.839 82 D CB -0.327 40.598 40.800 0.208 0.000 0.948 82 D HN 0.210 nan 8.370 nan 0.000 0.460 83 S N 0.086 115.934 115.700 0.246 0.000 2.465 83 S HA -0.126 4.344 4.470 0.000 0.000 0.241 83 S C 1.832 176.678 174.600 0.409 0.000 1.000 83 S CA 0.466 58.894 58.200 0.381 0.000 0.964 83 S CB -0.175 63.150 63.200 0.207 0.000 0.763 83 S HN 0.211 nan 8.310 nan 0.000 0.512 84 R N 1.868 122.511 120.500 0.240 0.000 2.066 84 R HA -0.005 4.335 4.340 0.000 0.000 0.232 84 R C 1.405 177.772 176.300 0.111 0.000 1.131 84 R CA 1.793 57.992 56.100 0.166 0.000 0.955 84 R CB -0.461 29.900 30.300 0.100 0.000 0.851 84 R HN 0.578 nan 8.270 nan 0.000 0.432 85 N N -0.806 117.925 118.700 0.053 0.000 2.467 85 N HA -0.083 4.657 4.740 0.000 0.000 0.184 85 N C 0.434 175.860 175.510 -0.140 0.000 1.106 85 N CA 0.572 53.579 53.050 -0.072 0.000 0.892 85 N CB 0.111 38.508 38.487 -0.150 0.000 0.969 85 N HN 0.233 nan 8.380 nan 0.000 0.454 86 Y N -0.417 119.934 120.300 0.085 0.000 2.466 86 Y HA 0.300 4.850 4.550 0.000 0.000 0.272 86 Y C 1.704 177.564 175.900 -0.066 0.000 1.169 86 Y CA 0.143 58.279 58.100 0.062 0.000 1.285 86 Y CB 0.441 39.003 38.460 0.170 0.000 1.078 86 Y HN 0.146 nan 8.280 nan 0.000 0.523 87 G N -1.967 106.856 108.800 0.039 0.000 2.192 87 G HA2 -0.221 3.739 3.960 0.000 0.000 0.193 87 G HA3 -0.221 3.739 3.960 0.000 0.000 0.193 87 G C -0.344 174.409 174.900 -0.246 0.000 0.999 87 G CA -0.732 44.273 45.100 -0.157 0.000 0.659 87 G HN 0.208 nan 8.290 nan 0.000 0.503 88 W N 1.711 123.057 121.300 0.076 0.000 2.316 88 W HA 0.646 5.306 4.660 0.000 0.000 0.311 88 W C 0.662 177.206 176.519 0.041 0.000 1.217 88 W CA -0.640 56.736 57.345 0.052 0.000 1.199 88 W CB 0.812 30.304 29.460 0.052 0.000 1.202 88 W HN -0.097 nan 8.180 nan 0.000 0.528 89 K N 4.489 125.031 120.400 0.236 0.000 2.244 89 K HA 0.339 4.659 4.320 0.000 0.000 0.263 89 K C -0.208 176.475 176.600 0.138 0.000 1.103 89 K CA -0.276 56.096 56.287 0.142 0.000 0.966 89 K CB 0.437 32.990 32.500 0.088 0.000 1.429 89 K HN 0.372 nan 8.250 nan 0.000 0.434 90 L N 1.071 122.368 121.223 0.124 0.000 2.492 90 L HA 0.352 4.692 4.340 0.000 0.000 0.263 90 L C 0.220 177.129 176.870 0.065 0.000 1.062 90 L CA -0.882 54.013 54.840 0.092 0.000 0.817 90 L CB 1.163 43.275 42.059 0.087 0.000 1.441 90 L HN 0.429 nan 8.230 nan 0.000 0.493 91 E N -0.245 119.986 120.200 0.052 0.000 2.216 91 E HA 0.052 4.402 4.350 0.000 0.000 0.279 91 E C 0.257 176.880 176.600 0.039 0.000 0.997 91 E CA -0.199 56.226 56.400 0.042 0.000 0.817 91 E CB 0.970 30.692 29.700 0.036 0.000 1.096 91 E HN 0.385 nan 8.360 nan 0.000 0.393 92 D N 2.319 122.740 120.400 0.034 0.000 2.276 92 D HA -0.154 4.486 4.640 0.000 0.000 0.200 92 D C -0.205 176.114 176.300 0.031 0.000 1.004 92 D CA 1.353 55.372 54.000 0.031 0.000 0.898 92 D CB 0.186 41.001 40.800 0.025 0.000 0.906 92 D HN 0.326 nan 8.370 nan 0.000 0.457 93 T N 0.056 114.629 114.554 0.033 0.000 3.011 93 T HA 0.384 4.734 4.350 0.000 0.000 0.303 93 T C -0.565 174.158 174.700 0.039 0.000 0.997 93 T CA -0.672 61.449 62.100 0.035 0.000 1.007 93 T CB 2.732 71.620 68.868 0.032 0.000 1.017 93 T HN -0.301 nan 8.240 nan 0.000 0.443 94 V N 4.111 124.052 119.914 0.045 0.000 2.384 94 V HA 0.522 4.642 4.120 0.000 0.000 0.287 94 V C 0.109 176.244 176.094 0.069 0.000 1.020 94 V CA -1.222 61.108 62.300 0.050 0.000 0.850 94 V CB 1.367 33.217 31.823 0.045 0.000 0.987 94 V HN 0.626 nan 8.190 nan 0.000 0.436 95 K N 2.100 122.542 120.400 0.070 0.000 2.202 95 K HA 0.372 4.692 4.320 0.000 0.000 0.264 95 K C -0.475 176.205 176.600 0.135 0.000 1.010 95 K CA -0.407 55.936 56.287 0.094 0.000 0.940 95 K CB 1.155 33.695 32.500 0.067 0.000 0.983 95 K HN 0.893 nan 8.250 nan 0.000 0.475 96 H N 0.251 119.359 119.070 0.064 0.000 2.472 96 H HA 0.192 4.748 4.556 0.000 0.000 0.338 96 H C -1.192 174.197 175.328 0.101 0.000 1.133 96 H CA -0.522 55.570 56.048 0.074 0.000 1.216 96 H CB 1.217 31.033 29.762 0.091 0.000 1.497 96 H HN 0.419 nan 8.280 nan 0.000 0.500 97 D N 5.185 125.158 120.400 -0.712 0.000 2.472 97 D HA -0.045 4.595 4.640 0.000 0.000 0.234 97 D C 0.762 176.837 176.300 -0.377 0.000 1.088 97 D CA -0.550 53.235 54.000 -0.359 0.000 0.882 97 D CB 0.064 40.763 40.800 -0.169 0.000 1.037 97 D HN 0.684 nan 8.370 nan 0.000 0.520 98 W N 4.133 125.297 121.300 -0.228 0.000 2.304 98 W HA -0.254 4.406 4.660 -0.000 0.000 0.315 98 W C 1.268 177.779 176.519 -0.012 0.000 1.233 98 W CA 1.655 58.993 57.345 -0.012 0.000 1.261 98 W CB 0.020 29.543 29.460 0.106 0.000 1.150 98 W HN 0.524 nan 8.180 nan 0.000 0.494 99 E N 0.653 121.021 120.200 0.279 0.000 2.035 99 E HA -0.329 4.021 4.350 0.000 0.000 0.204 99 E C 2.107 178.708 176.600 0.000 0.000 1.025 99 E CA 2.859 59.366 56.400 0.179 0.000 0.835 99 E CB -0.464 29.321 29.700 0.141 0.000 0.764 99 E HN -0.013 nan 8.360 nan 0.000 0.457 100 K N 0.326 120.695 120.400 -0.052 0.000 2.063 100 K HA -0.167 4.153 4.320 0.000 0.000 0.208 100 K C 2.107 178.635 176.600 -0.121 0.000 1.048 100 K CA 1.910 58.151 56.287 -0.078 0.000 0.928 100 K CB -0.396 32.052 32.500 -0.086 0.000 0.713 100 K HN 0.276 nan 8.250 nan 0.000 0.442 101 M N 0.289 119.771 119.600 -0.196 0.000 2.059 101 M HA -0.198 4.282 4.480 0.000 0.000 0.259 101 M C 2.047 178.198 176.300 -0.248 0.000 1.072 101 M CA 2.602 57.778 55.300 -0.207 0.000 1.117 101 M CB -0.657 31.825 32.600 -0.197 0.000 1.320 101 M HN 0.419 nan 8.290 nan 0.000 0.408 102 T N -1.418 112.912 114.554 -0.373 0.000 2.881 102 T HA -0.223 4.127 4.350 0.000 0.000 0.270 102 T C 1.586 176.231 174.700 -0.091 0.000 1.068 102 T CA 1.840 63.786 62.100 -0.257 0.000 1.131 102 T CB -0.598 68.129 68.868 -0.235 0.000 0.871 102 T HN 0.665 nan 8.240 nan 0.000 0.479 103 E N 0.684 120.846 120.200 -0.063 0.000 2.031 103 E HA -0.147 4.203 4.350 0.000 0.000 0.193 103 E C 2.417 179.002 176.600 -0.024 0.000 0.994 103 E CA 1.531 57.920 56.400 -0.017 0.000 0.800 103 E CB -0.352 29.342 29.700 -0.009 0.000 0.752 103 E HN 0.612 nan 8.360 nan 0.000 0.447 104 S N 0.132 115.802 115.700 -0.051 0.000 2.370 104 S HA -0.164 4.306 4.470 0.000 0.000 0.226 104 S C 2.079 176.656 174.600 -0.038 0.000 1.033 104 S CA 1.279 59.452 58.200 -0.046 0.000 1.011 104 S CB -0.293 62.864 63.200 -0.072 0.000 0.852 104 S HN 0.163 nan 8.310 nan 0.000 0.457 105 V N 1.938 121.808 119.914 -0.074 0.000 2.255 105 V HA -0.193 3.927 4.120 0.000 0.000 0.247 105 V C 2.725 178.820 176.094 0.002 0.000 1.051 105 V CA 1.609 63.867 62.300 -0.070 0.000 1.018 105 V CB -0.670 31.079 31.823 -0.123 0.000 0.641 105 V HN 0.391 nan 8.190 nan 0.000 0.445 106 Q N -0.063 119.742 119.800 0.008 0.000 2.061 106 Q HA -0.234 4.106 4.340 0.000 0.000 0.204 106 Q C 2.143 178.177 176.000 0.056 0.000 0.984 106 Q CA 2.055 57.883 55.803 0.042 0.000 0.846 106 Q CB -0.869 27.902 28.738 0.054 0.000 0.902 106 Q HN 0.696 nan 8.270 nan 0.000 0.421 107 N N -0.056 118.673 118.700 0.048 0.000 2.060 107 N HA -0.214 4.526 4.740 0.000 0.000 0.195 107 N C 1.731 177.281 175.510 0.067 0.000 1.028 107 N CA 1.641 54.722 53.050 0.051 0.000 0.861 107 N CB -0.297 38.211 38.487 0.035 0.000 1.029 107 N HN 0.403 nan 8.380 nan 0.000 0.428 108 H N 0.159 119.215 119.070 -0.024 0.000 2.319 108 H HA -0.094 4.463 4.556 0.000 0.000 0.299 108 H C 2.114 177.438 175.328 -0.007 0.000 1.092 108 H CA 1.700 57.730 56.048 -0.030 0.000 1.302 108 H CB -0.186 29.538 29.762 -0.063 0.000 1.373 108 H HN 0.244 nan 8.280 nan 0.000 0.497 109 I N 0.383 120.957 120.570 0.006 0.000 2.208 109 I HA -0.226 3.944 4.170 0.000 0.000 0.245 109 I C 2.943 179.053 176.117 -0.011 0.000 1.097 109 I CA 1.174 62.452 61.300 -0.036 0.000 1.363 109 I CB -0.565 37.442 38.000 0.013 0.000 1.051 109 I HN 0.334 nan 8.210 nan 0.000 0.413 110 G N -0.205 108.627 108.800 0.053 0.000 2.440 110 G HA2 -0.350 3.610 3.960 0.000 0.000 0.218 110 G HA3 -0.350 3.610 3.960 0.000 0.000 0.218 110 G C 1.767 176.769 174.900 0.171 0.000 1.154 110 G CA 1.131 46.325 45.100 0.157 0.000 0.767 110 G HN 0.439 nan 8.290 nan 0.000 0.552 111 S N -0.004 115.707 115.700 0.019 0.000 2.387 111 S HA -0.061 4.409 4.470 0.000 0.000 0.230 111 S C 2.408 176.963 174.600 -0.075 0.000 1.035 111 S CA 1.368 59.543 58.200 -0.041 0.000 1.014 111 S CB -0.242 62.866 63.200 -0.154 0.000 0.836 111 S HN 0.348 nan 8.310 nan 0.000 0.466 112 L N 1.104 122.234 121.223 -0.155 0.000 2.044 112 L HA -0.056 4.284 4.340 0.000 0.000 0.205 112 L C 2.616 179.503 176.870 0.029 0.000 1.075 112 L CA 1.058 55.819 54.840 -0.132 0.000 0.747 112 L CB -0.823 41.181 42.059 -0.091 0.000 0.903 112 L HN 0.304 nan 8.230 nan 0.000 0.435 113 N N -0.083 118.658 118.700 0.069 0.000 2.021 113 N HA -0.257 4.483 4.740 0.000 0.000 0.198 113 N C 1.554 177.033 175.510 -0.052 0.000 1.041 113 N CA 1.908 54.970 53.050 0.019 0.000 0.862 113 N CB -0.602 37.846 38.487 -0.066 0.000 1.048 113 N HN 0.358 nan 8.380 nan 0.000 0.427 114 W N 1.130 122.414 121.300 -0.026 0.000 2.388 114 W HA 0.061 4.721 4.660 -0.000 0.000 0.294 114 W C 2.639 179.112 176.519 -0.077 0.000 1.212 114 W CA 1.189 58.509 57.345 -0.042 0.000 1.271 114 W CB -0.935 28.500 29.460 -0.041 0.000 1.126 114 W HN 0.145 nan 8.180 nan 0.000 0.535 115 G N -0.489 108.359 108.800 0.081 0.000 2.469 115 G HA2 -0.342 3.618 3.960 0.000 0.000 0.219 115 G HA3 -0.342 3.618 3.960 0.000 0.000 0.219 115 G C 1.173 175.979 174.900 -0.156 0.000 1.150 115 G CA 1.304 46.349 45.100 -0.093 0.000 0.763 115 G HN 0.226 nan 8.290 nan 0.000 0.561 116 Y N 0.845 121.095 120.300 -0.082 0.000 2.163 116 Y HA -0.022 4.528 4.550 -0.000 0.000 0.288 116 Y C 3.116 178.902 175.900 -0.190 0.000 1.136 116 Y CA 1.438 59.456 58.100 -0.137 0.000 1.147 116 Y CB -0.321 38.033 38.460 -0.177 0.000 0.987 116 Y HN 0.086 nan 8.280 nan 0.000 0.509 117 R N -0.572 119.874 120.500 -0.091 0.000 2.083 117 R HA -0.160 4.180 4.340 0.000 0.000 0.237 117 R C 2.127 178.395 176.300 -0.053 0.000 1.137 117 R CA 1.904 57.873 56.100 -0.219 0.000 0.951 117 R CB -0.995 29.140 30.300 -0.275 0.000 0.851 117 R HN 0.170 nan 8.270 nan 0.000 0.434 118 V N 1.125 121.056 119.914 0.027 0.000 2.332 118 V HA -0.256 3.864 4.120 0.000 0.000 0.248 118 V C 2.466 178.571 176.094 0.018 0.000 1.055 118 V CA 1.944 64.276 62.300 0.054 0.000 1.038 118 V CB -0.912 30.961 31.823 0.083 0.000 0.651 118 V HN 0.437 nan 8.190 nan 0.000 0.450 119 A N -0.004 122.812 122.820 -0.006 0.000 1.877 119 A HA -0.145 4.175 4.320 0.000 0.000 0.216 119 A C 2.252 179.845 177.584 0.015 0.000 1.186 119 A CA 1.825 53.861 52.037 -0.003 0.000 0.620 119 A CB -0.550 18.444 19.000 -0.010 0.000 0.822 119 A HN 0.494 nan 8.150 nan 0.000 0.443 120 L N -1.033 120.195 121.223 0.008 0.000 2.046 120 L HA -0.194 4.146 4.340 0.000 0.000 0.208 120 L C 2.849 179.739 176.870 0.035 0.000 1.077 120 L CA 1.799 56.646 54.840 0.011 0.000 0.747 120 L CB -0.535 41.506 42.059 -0.031 0.000 0.896 120 L HN 0.506 nan 8.230 nan 0.000 0.432 121 R N 0.220 120.744 120.500 0.039 0.000 2.081 121 R HA -0.171 4.169 4.340 0.000 0.000 0.235 121 R C 2.043 178.373 176.300 0.049 0.000 1.131 121 R CA 1.382 57.517 56.100 0.059 0.000 0.960 121 R CB -0.007 30.336 30.300 0.072 0.000 0.856 121 R HN 0.327 nan 8.270 nan 0.000 0.436 122 E N 0.475 120.697 120.200 0.037 0.000 2.208 122 E HA -0.103 4.247 4.350 0.000 0.000 0.193 122 E C 1.626 178.243 176.600 0.028 0.000 0.988 122 E CA 0.722 57.140 56.400 0.029 0.000 0.828 122 E CB 0.086 29.797 29.700 0.018 0.000 0.763 122 E HN 0.235 nan 8.360 nan 0.000 0.478 123 K N 0.673 121.091 120.400 0.031 0.000 2.486 123 K HA 0.007 4.327 4.320 0.000 0.000 0.194 123 K C 0.218 176.846 176.600 0.047 0.000 1.033 123 K CA 0.106 56.413 56.287 0.034 0.000 1.004 123 K CB 0.199 32.719 32.500 0.034 0.000 0.798 123 K HN 0.051 nan 8.250 nan 0.000 0.495 124 K N 0.081 120.513 120.400 0.053 0.000 3.200 124 K HA -0.101 4.219 4.320 0.000 0.000 0.272 124 K C -0.982 175.667 176.600 0.081 0.000 1.150 124 K CA 0.070 56.397 56.287 0.067 0.000 0.801 124 K CB -1.648 30.891 32.500 0.065 0.000 1.269 124 K HN -0.109 nan 8.250 nan 0.000 0.500 125 V N 1.332 121.289 119.914 0.071 0.000 2.435 125 V HA 0.308 4.428 4.120 0.000 0.000 0.290 125 V C 0.599 176.736 176.094 0.072 0.000 1.030 125 V CA -0.972 61.366 62.300 0.064 0.000 0.881 125 V CB 1.895 33.740 31.823 0.036 0.000 0.983 125 V HN 0.070 nan 8.190 nan 0.000 0.445 126 V N 5.150 125.097 119.914 0.055 0.000 2.508 126 V HA 0.161 4.281 4.120 0.000 0.000 0.281 126 V C -0.478 175.628 176.094 0.020 0.000 1.041 126 V CA -0.305 62.028 62.300 0.054 0.000 1.016 126 V CB 0.305 32.179 31.823 0.084 0.000 0.984 126 V HN 0.761 nan 8.190 nan 0.000 0.478 127 Y N 4.194 124.455 120.300 -0.065 0.000 2.328 127 Y HA 0.704 5.254 4.550 -0.000 0.000 0.337 127 Y C -0.396 175.461 175.900 -0.071 0.000 0.966 127 Y CA -1.341 56.708 58.100 -0.085 0.000 1.136 127 Y CB 1.608 40.033 38.460 -0.057 0.000 1.170 127 Y HN 0.715 nan 8.280 nan 0.000 0.470 128 E N 4.654 124.499 120.200 -0.591 0.000 2.218 128 E HA 0.222 4.572 4.350 0.000 0.000 0.263 128 E C -1.192 175.049 176.600 -0.598 0.000 0.879 128 E CA -0.444 55.623 56.400 -0.554 0.000 0.762 128 E CB 0.761 30.294 29.700 -0.278 0.000 1.166 128 E HN 0.729 nan 8.360 nan 0.000 0.415 129 N N 3.375 121.720 118.700 -0.591 0.000 2.605 129 N HA 0.402 5.142 4.740 0.000 0.000 0.258 129 N C -1.346 174.207 175.510 0.071 0.000 1.156 129 N CA 0.113 53.002 53.050 -0.268 0.000 1.008 129 N CB 0.127 38.482 38.487 -0.220 0.000 1.354 129 N HN 0.402 nan 8.380 nan 0.000 0.509 130 A N 3.082 125.979 122.820 0.130 0.000 2.604 130 A HA 0.253 4.573 4.320 0.000 0.000 0.295 130 A C -1.928 175.690 177.584 0.055 0.000 1.067 130 A CA -0.658 51.440 52.037 0.101 0.000 0.683 130 A CB 0.824 19.822 19.000 -0.003 0.000 1.281 130 A HN 0.615 nan 8.150 nan 0.000 0.407 131 Y N 1.260 121.367 120.300 -0.320 0.000 2.316 131 Y HA 0.491 5.041 4.550 -0.000 0.000 0.331 131 Y C 0.810 176.613 175.900 -0.161 0.000 1.083 131 Y CA 0.614 58.562 58.100 -0.254 0.000 1.206 131 Y CB 1.048 39.211 38.460 -0.496 0.000 1.195 131 Y HN 0.853 nan 8.280 nan 0.000 0.497 132 G N 5.873 114.316 108.800 -0.595 0.000 2.356 132 G HA2 0.434 4.394 3.960 0.000 0.000 0.298 132 G HA3 0.434 4.394 3.960 0.000 0.000 0.298 132 G C -1.492 173.132 174.900 -0.461 0.000 1.145 132 G CA -0.767 44.079 45.100 -0.423 0.000 0.850 132 G HN 0.626 nan 8.290 nan 0.000 0.487 133 K N 2.264 122.513 120.400 -0.252 0.000 2.581 133 K HA 0.315 4.635 4.320 0.000 0.000 0.249 133 K C -1.287 175.251 176.600 -0.104 0.000 0.966 133 K CA -0.753 55.438 56.287 -0.160 0.000 0.811 133 K CB 1.307 33.816 32.500 0.015 0.000 1.223 133 K HN 0.246 nan 8.250 nan 0.000 0.438 134 F N 4.346 124.251 119.950 -0.075 0.000 2.518 134 F HA 0.106 4.633 4.527 -0.000 0.000 0.359 134 F C 1.608 177.382 175.800 -0.044 0.000 1.118 134 F CA -0.028 57.908 58.000 -0.107 0.000 1.287 134 F CB 0.551 39.436 39.000 -0.191 0.000 1.132 134 F HN 0.508 nan 8.300 nan 0.000 0.587 135 I N -0.785 119.905 120.570 0.199 0.000 4.312 135 I HA 0.638 4.808 4.170 0.000 0.000 0.324 135 I C 0.677 176.848 176.117 0.089 0.000 1.298 135 I CA 0.145 61.517 61.300 0.119 0.000 1.231 135 I CB 0.426 38.487 38.000 0.103 0.000 1.152 135 I HN 0.527 nan 8.210 nan 0.000 0.421 136 G N 0.850 109.705 108.800 0.091 0.000 2.356 136 G HA2 0.361 4.321 3.960 0.000 0.000 0.294 136 G HA3 0.361 4.321 3.960 0.000 0.000 0.294 136 G C -3.262 171.677 174.900 0.065 0.000 1.423 136 G CA -0.976 44.158 45.100 0.058 0.000 0.806 136 G HN -0.256 nan 8.290 nan 0.000 0.527 137 P HA 0.137 nan 4.420 nan 0.000 0.259 137 P C 0.137 177.619 177.300 0.303 0.000 1.155 137 P CA 1.191 64.394 63.100 0.171 0.000 0.759 137 P CB -0.069 31.751 31.700 0.201 0.000 0.753 138 H N -0.705 118.534 119.070 0.282 0.000 3.329 138 H HA -0.225 4.331 4.556 0.000 0.000 0.245 138 H C -0.022 175.600 175.328 0.489 0.000 1.099 138 H CA 1.573 57.883 56.048 0.438 0.000 1.186 138 H CB -1.436 28.488 29.762 0.270 0.000 1.243 138 H HN 0.442 nan 8.280 nan 0.000 0.319 139 K N 0.367 121.006 120.400 0.399 0.000 2.270 139 K HA 0.675 4.995 4.320 0.000 0.000 0.255 139 K C -0.675 176.153 176.600 0.380 0.000 0.936 139 K CA -0.665 55.863 56.287 0.401 0.000 0.809 139 K CB 2.578 35.243 32.500 0.275 0.000 1.131 139 K HN 0.122 nan 8.250 nan 0.000 0.427 140 I N 2.922 123.751 120.570 0.431 0.000 2.730 140 I HA 0.398 4.568 4.170 0.000 0.000 0.298 140 I C -1.362 174.905 176.117 0.250 0.000 1.089 140 I CA -1.077 60.402 61.300 0.299 0.000 1.041 140 I CB 1.844 40.017 38.000 0.288 0.000 1.235 140 I HN 0.665 nan 8.210 nan 0.000 0.423 141 M N 7.261 126.944 119.600 0.138 0.000 2.149 141 M HA 0.618 5.098 4.480 0.000 0.000 0.342 141 M C -1.193 175.164 176.300 0.096 0.000 1.068 141 M CA -0.466 54.905 55.300 0.118 0.000 0.991 141 M CB 1.313 33.957 32.600 0.073 0.000 1.596 141 M HN 0.689 nan 8.290 nan 0.000 0.439 142 A N 4.097 127.010 122.820 0.155 0.000 2.253 142 A HA 0.555 4.875 4.320 0.000 0.000 0.316 142 A C -0.388 177.227 177.584 0.051 0.000 1.327 142 A CA -0.481 51.619 52.037 0.106 0.000 0.917 142 A CB 0.214 19.342 19.000 0.214 0.000 1.162 142 A HN 0.792 nan 8.150 nan 0.000 0.535 143 T N 4.103 118.652 114.554 -0.009 0.000 2.728 143 T HA 0.160 4.510 4.350 0.000 0.000 0.296 143 T C 0.886 175.499 174.700 -0.144 0.000 0.940 143 T CA -0.538 61.522 62.100 -0.068 0.000 1.013 143 T CB 0.111 68.920 68.868 -0.099 0.000 0.912 143 T HN 0.855 nan 8.240 nan 0.000 0.484 144 N N 3.530 122.188 118.700 -0.069 0.000 2.255 144 N HA -0.012 4.728 4.740 0.000 0.000 0.253 144 N C 1.164 176.645 175.510 -0.049 0.000 1.313 144 N CA -0.284 52.747 53.050 -0.031 0.000 0.912 144 N CB 0.370 38.865 38.487 0.015 0.000 1.145 144 N HN 0.498 nan 8.380 nan 0.000 0.511 145 N N 0.058 118.821 118.700 0.105 0.000 2.216 145 N HA -0.078 4.662 4.740 0.000 0.000 0.183 145 N C 0.451 176.011 175.510 0.083 0.000 1.017 145 N CA 1.116 54.289 53.050 0.206 0.000 0.861 145 N CB 0.026 38.666 38.487 0.255 0.000 0.986 145 N HN 0.529 nan 8.380 nan 0.000 0.428 146 K N -0.436 119.990 120.400 0.044 0.000 2.458 146 K HA 0.202 4.522 4.320 0.000 0.000 0.194 146 K C 0.779 177.376 176.600 -0.005 0.000 1.024 146 K CA 0.442 56.742 56.287 0.021 0.000 1.108 146 K CB 0.299 32.812 32.500 0.021 0.000 0.846 146 K HN 0.296 nan 8.250 nan 0.000 0.518 147 G N 1.578 110.361 108.800 -0.028 0.000 2.176 147 G HA2 -0.228 3.732 3.960 0.000 0.000 0.232 147 G HA3 -0.228 3.732 3.960 0.000 0.000 0.232 147 G C -0.275 174.607 174.900 -0.031 0.000 0.986 147 G CA -0.409 44.665 45.100 -0.044 0.000 0.643 147 G HN 0.135 nan 8.290 nan 0.000 0.522 148 K N 1.386 121.776 120.400 -0.016 0.000 2.350 148 K HA 0.379 4.699 4.320 0.000 0.000 0.279 148 K C 0.299 176.895 176.600 -0.006 0.000 1.027 148 K CA 0.037 56.320 56.287 -0.007 0.000 0.969 148 K CB 1.246 33.749 32.500 0.004 0.000 0.954 148 K HN 0.550 nan 8.250 nan 0.000 0.474 149 E N 1.783 121.980 120.200 -0.005 0.000 2.222 149 E HA 0.330 4.680 4.350 0.000 0.000 0.272 149 E C -0.582 176.018 176.600 -0.001 0.000 0.982 149 E CA -0.666 55.734 56.400 0.001 0.000 0.842 149 E CB 1.905 31.603 29.700 -0.003 0.000 1.144 149 E HN 0.313 nan 8.360 nan 0.000 0.397 150 K N 1.075 121.480 120.400 0.009 0.000 2.542 150 K HA 0.399 4.719 4.320 0.000 0.000 0.259 150 K C -1.789 174.753 176.600 -0.096 0.000 0.932 150 K CA -0.576 55.669 56.287 -0.069 0.000 0.820 150 K CB 1.950 34.413 32.500 -0.062 0.000 1.345 150 K HN 0.263 nan 8.250 nan 0.000 0.432 151 V N 3.639 123.418 119.914 -0.226 0.000 2.667 151 V HA 0.556 4.676 4.120 0.000 0.000 0.308 151 V C -1.233 174.684 176.094 -0.295 0.000 1.048 151 V CA -0.536 61.701 62.300 -0.106 0.000 0.928 151 V CB 1.336 33.147 31.823 -0.020 0.000 1.004 151 V HN 0.673 nan 8.190 nan 0.000 0.444 152 Y N 1.015 121.441 120.300 0.210 0.000 2.545 152 Y HA 0.641 5.191 4.550 -0.000 0.000 0.348 152 Y C 0.282 176.395 175.900 0.354 0.000 1.002 152 Y CA -0.736 57.536 58.100 0.286 0.000 1.039 152 Y CB 2.403 41.072 38.460 0.348 0.000 1.271 152 Y HN 0.641 nan 8.280 nan 0.000 0.467 153 S N 1.064 117.079 115.700 0.525 0.000 2.532 153 S HA 0.987 5.457 4.470 0.000 0.000 0.301 153 S C -0.942 173.961 174.600 0.505 0.000 1.083 153 S CA -0.555 57.963 58.200 0.531 0.000 1.025 153 S CB 1.968 65.435 63.200 0.445 0.000 1.056 153 S HN 1.069 nan 8.310 nan 0.000 0.494 154 A N 1.101 124.186 122.820 0.441 0.000 2.574 154 A HA 0.635 4.955 4.320 0.000 0.000 0.297 154 A C 0.345 177.774 177.584 -0.257 0.000 1.062 154 A CA -0.599 51.487 52.037 0.082 0.000 0.686 154 A CB 1.270 20.091 19.000 -0.299 0.000 1.285 154 A HN 0.939 nan 8.150 nan 0.000 0.403 155 E N 0.158 120.045 120.200 -0.522 0.000 2.107 155 E HA -0.021 4.329 4.350 0.000 0.000 0.191 155 E C 0.380 177.027 176.600 0.077 0.000 0.982 155 E CA 0.919 56.937 56.400 -0.637 0.000 0.809 155 E CB 0.174 29.673 29.700 -0.335 0.000 0.756 155 E HN 0.568 nan 8.360 nan 0.000 0.459 156 R N -1.298 119.275 120.500 0.121 0.000 2.808 156 R HA 0.450 4.790 4.340 0.000 0.000 0.272 156 R C -1.511 174.856 176.300 0.111 0.000 0.995 156 R CA -0.649 55.632 56.100 0.302 0.000 0.917 156 R CB 1.502 31.964 30.300 0.271 0.000 1.217 156 R HN -0.125 nan 8.270 nan 0.000 0.471 157 F N 1.003 121.068 119.950 0.192 0.000 2.588 157 F HA 0.555 5.082 4.527 0.000 0.000 0.314 157 F C -1.014 174.883 175.800 0.161 0.000 1.069 157 F CA -0.966 57.136 58.000 0.170 0.000 0.931 157 F CB 1.888 41.047 39.000 0.266 0.000 1.260 157 F HN 0.149 nan 8.300 nan 0.000 0.465 158 L N 4.118 125.505 121.223 0.274 0.000 2.404 158 L HA 0.592 4.932 4.340 0.000 0.000 0.272 158 L C -1.150 175.809 176.870 0.148 0.000 0.980 158 L CA -0.596 54.356 54.840 0.186 0.000 0.836 158 L CB 1.120 43.222 42.059 0.072 0.000 1.238 158 L HN 0.451 nan 8.230 nan 0.000 0.408 159 I N 5.437 126.092 120.570 0.142 0.000 2.308 159 I HA 0.477 4.647 4.170 0.000 0.000 0.293 159 I C 0.536 176.679 176.117 0.044 0.000 1.078 159 I CA -0.071 61.276 61.300 0.078 0.000 1.292 159 I CB 1.063 39.113 38.000 0.083 0.000 1.423 159 I HN 0.820 nan 8.210 nan 0.000 0.493 160 A N 3.961 126.788 122.820 0.013 0.000 3.253 160 A HA 0.305 4.625 4.320 0.000 0.000 0.290 160 A C 0.972 178.558 177.584 0.004 0.000 0.950 160 A CA -0.385 51.659 52.037 0.012 0.000 0.986 160 A CB -0.259 18.743 19.000 0.002 0.000 1.104 160 A HN 0.753 nan 8.150 nan 0.000 0.481 161 T N -2.859 111.699 114.554 0.007 0.000 3.081 161 T HA 0.430 4.780 4.350 0.000 0.000 0.255 161 T C 1.294 176.025 174.700 0.053 0.000 1.113 161 T CA 0.966 63.074 62.100 0.014 0.000 1.082 161 T CB -0.317 68.550 68.868 -0.002 0.000 0.939 161 T HN 2.005 nan 8.240 nan 0.000 0.506 162 G N 2.009 110.841 108.800 0.055 0.000 2.682 162 G HA2 -0.172 3.788 3.960 0.000 0.000 0.256 162 G HA3 -0.172 3.788 3.960 0.000 0.000 0.256 162 G C -0.479 174.474 174.900 0.089 0.000 1.333 162 G CA 0.056 45.200 45.100 0.074 0.000 0.904 162 G HN 0.851 nan 8.290 nan 0.000 0.569 163 E N -0.701 119.561 120.200 0.104 0.000 2.412 163 E HA 0.869 5.219 4.350 0.000 0.000 0.255 163 E C -0.224 176.457 176.600 0.136 0.000 0.933 163 E CA -1.276 55.190 56.400 0.110 0.000 0.823 163 E CB 1.550 31.308 29.700 0.097 0.000 1.352 163 E HN 0.484 nan 8.360 nan 0.000 0.406 164 R N -0.074 120.507 120.500 0.134 0.000 2.799 164 R HA 0.459 4.799 4.340 0.000 0.000 0.270 164 R C -2.748 173.633 176.300 0.135 0.000 1.010 164 R CA -2.436 53.759 56.100 0.159 0.000 0.916 164 R CB 1.291 31.697 30.300 0.177 0.000 1.228 164 R HN 0.401 nan 8.270 nan 0.000 0.469 165 P HA 0.096 nan 4.420 nan 0.000 0.268 165 P C -0.542 176.827 177.300 0.114 0.000 1.208 165 P CA -0.029 63.119 63.100 0.080 0.000 0.777 165 P CB 0.583 32.311 31.700 0.047 0.000 0.875 166 R N 2.340 122.873 120.500 0.055 0.000 2.532 166 R HA 0.427 4.767 4.340 0.000 0.000 0.295 166 R C -1.139 175.204 176.300 0.071 0.000 0.968 166 R CA -0.500 55.664 56.100 0.108 0.000 0.916 166 R CB 0.566 30.909 30.300 0.071 0.000 1.124 166 R HN 0.340 nan 8.270 nan 0.000 0.463 167 Y N 1.753 122.065 120.300 0.020 0.000 2.534 167 Y HA 0.340 4.890 4.550 -0.000 0.000 0.329 167 Y C -0.018 175.891 175.900 0.014 0.000 1.154 167 Y CA -0.816 57.293 58.100 0.015 0.000 1.192 167 Y CB 1.153 39.621 38.460 0.012 0.000 1.275 167 Y HN 0.388 nan 8.280 nan 0.000 0.491 168 L N 0.925 122.248 121.223 0.167 0.000 2.395 168 L HA 0.288 4.628 4.340 0.000 0.000 0.269 168 L C 1.584 178.520 176.870 0.109 0.000 1.133 168 L CA 0.134 55.035 54.840 0.102 0.000 0.812 168 L CB 0.673 42.773 42.059 0.069 0.000 1.125 168 L HN 0.936 nan 8.230 nan 0.000 0.452 169 G N 2.918 111.762 108.800 0.074 0.000 2.498 169 G HA2 -0.119 3.841 3.960 0.000 0.000 0.219 169 G HA3 -0.119 3.841 3.960 0.000 0.000 0.219 169 G C 0.765 175.698 174.900 0.055 0.000 1.119 169 G CA 0.302 45.437 45.100 0.058 0.000 0.766 169 G HN 0.670 nan 8.290 nan 0.000 0.552 170 I N -1.220 119.389 120.570 0.064 0.000 2.892 170 I HA 0.340 4.510 4.170 0.000 0.000 0.287 170 I C -2.446 173.712 176.117 0.068 0.000 1.205 170 I CA -2.013 59.324 61.300 0.062 0.000 1.409 170 I CB 0.448 38.487 38.000 0.064 0.000 1.367 170 I HN -0.215 nan 8.210 nan 0.000 0.597 171 P HA 0.194 nan 4.420 nan 0.000 0.271 171 P C 0.675 178.036 177.300 0.102 0.000 1.216 171 P CA 0.719 63.858 63.100 0.065 0.000 0.771 171 P CB 1.093 32.831 31.700 0.063 0.000 0.864 172 G N 3.072 111.927 108.800 0.091 0.000 2.241 172 G HA2 -0.281 3.679 3.960 0.000 0.000 0.244 172 G HA3 -0.281 3.679 3.960 0.000 0.000 0.244 172 G C 0.995 175.975 174.900 0.135 0.000 0.998 172 G CA 0.567 45.762 45.100 0.159 0.000 0.621 172 G HN 0.578 nan 8.290 nan 0.000 0.519 173 D N 1.148 121.630 120.400 0.137 0.000 2.088 173 D HA -0.134 4.506 4.640 0.000 0.000 0.191 173 D C 1.996 178.472 176.300 0.293 0.000 0.992 173 D CA 1.735 55.869 54.000 0.224 0.000 0.831 173 D CB -0.648 40.307 40.800 0.258 0.000 0.973 173 D HN 0.496 nan 8.370 nan 0.000 0.447 174 K N 0.399 120.835 120.400 0.060 0.000 2.148 174 K HA -0.095 4.225 4.320 0.000 0.000 0.204 174 K C 2.237 178.766 176.600 -0.119 0.000 1.050 174 K CA 1.383 57.529 56.287 -0.234 0.000 0.942 174 K CB 0.015 32.200 32.500 -0.524 0.000 0.724 174 K HN 0.400 nan 8.250 nan 0.000 0.446 175 E N -0.164 119.908 120.200 -0.214 0.000 2.158 175 E HA -0.154 4.196 4.350 0.000 0.000 0.191 175 E C 1.021 177.346 176.600 -0.458 0.000 0.982 175 E CA 1.274 57.420 56.400 -0.423 0.000 0.823 175 E CB -0.114 29.190 29.700 -0.660 0.000 0.766 175 E HN 0.443 nan 8.360 nan 0.000 0.468 176 Y N 0.118 120.465 120.300 0.079 0.000 2.426 176 Y HA 0.274 4.824 4.550 0.000 0.000 0.249 176 Y C 1.174 177.124 175.900 0.083 0.000 1.103 176 Y CA -1.024 57.119 58.100 0.072 0.000 1.256 176 Y CB 0.279 38.770 38.460 0.052 0.000 1.208 176 Y HN -0.022 nan 8.280 nan 0.000 0.519 177 C N 1.626 121.062 119.300 0.227 0.000 2.328 177 C HA 0.717 5.177 4.460 0.000 0.000 0.378 177 C C 0.530 175.598 174.990 0.131 0.000 1.249 177 C CA -0.923 58.184 59.018 0.148 0.000 2.204 177 C CB 0.733 28.537 27.740 0.108 0.000 2.218 177 C HN 0.370 nan 8.230 nan 0.000 0.564 178 I N -0.253 120.334 120.570 0.028 0.000 3.145 178 I HA 0.846 5.016 4.170 0.000 0.000 0.313 178 I C -0.383 175.666 176.117 -0.114 0.000 1.122 178 I CA -0.213 61.093 61.300 0.010 0.000 0.987 178 I CB 2.190 40.192 38.000 0.003 0.000 1.236 178 I HN 0.689 nan 8.210 nan 0.000 0.453 179 S N 0.455 116.090 115.700 -0.108 0.000 2.810 179 S HA 0.379 4.849 4.470 0.000 0.000 0.315 179 S C 0.795 175.307 174.600 -0.146 0.000 1.138 179 S CA -0.049 58.052 58.200 -0.166 0.000 0.889 179 S CB 1.174 64.274 63.200 -0.168 0.000 1.236 179 S HN 0.852 nan 8.310 nan 0.000 0.548 180 S N 0.526 116.138 115.700 -0.147 0.000 2.383 180 S HA -0.208 4.262 4.470 0.000 0.000 0.229 180 S C 1.059 175.557 174.600 -0.168 0.000 1.030 180 S CA 1.748 59.818 58.200 -0.217 0.000 1.002 180 S CB -1.019 62.158 63.200 -0.038 0.000 0.829 180 S HN 0.674 nan 8.310 nan 0.000 0.467 181 D N 2.040 122.424 120.400 -0.026 0.000 2.149 181 D HA -0.117 4.523 4.640 0.000 0.000 0.194 181 D C 1.607 177.936 176.300 0.049 0.000 1.001 181 D CA 1.608 55.629 54.000 0.034 0.000 0.849 181 D CB -0.374 40.599 40.800 0.289 0.000 0.939 181 D HN 0.504 nan 8.370 nan 0.000 0.449 182 D N -0.726 119.693 120.400 0.032 0.000 2.216 182 D HA -0.047 4.593 4.640 0.000 0.000 0.208 182 D C 2.178 178.453 176.300 -0.043 0.000 0.960 182 D CA -0.079 53.948 54.000 0.044 0.000 0.861 182 D CB -0.126 40.699 40.800 0.042 0.000 0.985 182 D HN 0.081 nan 8.370 nan 0.000 0.493 183 L N 1.067 122.174 121.223 -0.194 0.000 1.997 183 L HA -0.214 4.126 4.340 0.000 0.000 0.216 183 L C 1.604 178.428 176.870 -0.076 0.000 1.074 183 L CA 1.777 56.466 54.840 -0.251 0.000 0.763 183 L CB -1.109 40.622 42.059 -0.548 0.000 0.890 183 L HN -0.096 nan 8.230 nan 0.000 0.434 184 F N -0.656 119.376 119.950 0.138 0.000 2.805 184 F HA 0.049 4.576 4.527 -0.000 0.000 0.301 184 F C 1.868 177.723 175.800 0.092 0.000 1.196 184 F CA 0.713 58.778 58.000 0.108 0.000 1.439 184 F CB -0.929 38.068 39.000 -0.006 0.000 1.117 184 F HN 0.154 nan 8.300 nan 0.000 0.581 185 S N -1.173 114.663 115.700 0.228 0.000 2.733 185 S HA 0.230 4.700 4.470 0.000 0.000 0.247 185 S C 0.408 175.102 174.600 0.157 0.000 1.043 185 S CA -0.440 57.871 58.200 0.186 0.000 1.066 185 S CB 0.048 63.348 63.200 0.167 0.000 1.045 185 S HN 0.099 nan 8.310 nan 0.000 0.586 186 L N 3.346 124.658 121.223 0.148 0.000 2.706 186 L HA 0.002 4.342 4.340 0.000 0.000 0.282 186 L C -1.703 175.141 176.870 -0.044 0.000 1.219 186 L CA -0.406 54.370 54.840 -0.107 0.000 0.935 186 L CB 0.596 42.464 42.059 -0.319 0.000 1.204 186 L HN 0.082 nan 8.230 nan 0.000 0.491 187 P HA -0.035 nan 4.420 nan 0.000 0.242 187 P C -1.232 176.085 177.300 0.028 0.000 1.197 187 P CA 0.814 63.901 63.100 -0.022 0.000 0.765 187 P CB 0.073 31.788 31.700 0.026 0.000 0.936 188 Y N -4.541 115.772 120.300 0.023 0.000 2.597 188 Y HA 0.479 5.029 4.550 0.000 0.000 0.340 188 Y C -0.601 175.049 175.900 -0.416 0.000 1.097 188 Y CA -2.833 55.219 58.100 -0.080 0.000 1.037 188 Y CB -0.084 38.339 38.460 -0.061 0.000 1.305 188 Y HN -0.340 nan 8.280 nan 0.000 0.463 189 C N 4.525 123.769 119.300 -0.093 0.000 2.634 189 C HA 0.236 4.696 4.460 0.000 0.000 0.418 189 C C -0.977 173.877 174.990 -0.227 0.000 1.373 189 C CA -0.981 57.801 59.018 -0.395 0.000 1.756 189 C CB -0.017 27.705 27.740 -0.030 0.000 2.589 189 C HN 0.794 nan 8.230 nan 0.000 0.602 190 P HA 0.128 nan 4.420 nan 0.000 0.219 190 P C 0.947 178.197 177.300 -0.084 0.000 1.146 190 P CA 2.041 65.012 63.100 -0.214 0.000 0.808 190 P CB -0.176 31.312 31.700 -0.353 0.000 0.779 191 G N -0.297 108.456 108.800 -0.078 0.000 2.598 191 G HA2 -0.292 3.668 3.960 0.000 0.000 0.244 191 G HA3 -0.292 3.668 3.960 0.000 0.000 0.244 191 G C -0.505 174.391 174.900 -0.005 0.000 1.302 191 G CA -0.273 44.809 45.100 -0.031 0.000 0.903 191 G HN 0.502 nan 8.290 nan 0.000 0.575 192 K N 0.868 121.276 120.400 0.014 0.000 2.436 192 K HA 0.453 4.773 4.320 0.000 0.000 0.282 192 K C 0.565 177.239 176.600 0.122 0.000 1.044 192 K CA 0.860 57.180 56.287 0.055 0.000 1.028 192 K CB -0.099 32.419 32.500 0.030 0.000 0.919 192 K HN 1.080 nan 8.250 nan 0.000 0.474 193 T N 2.226 116.843 114.554 0.104 0.000 2.906 193 T HA 0.486 4.836 4.350 0.000 0.000 0.295 193 T C -1.172 173.494 174.700 -0.056 0.000 1.061 193 T CA -1.133 60.990 62.100 0.038 0.000 1.000 193 T CB 1.325 70.156 68.868 -0.061 0.000 1.103 193 T HN 0.454 nan 8.240 nan 0.000 0.486 194 L N 2.782 123.791 121.223 -0.357 0.000 2.329 194 L HA 0.848 5.188 4.340 0.000 0.000 0.279 194 L C -1.384 175.269 176.870 -0.362 0.000 1.014 194 L CA -0.604 53.896 54.840 -0.566 0.000 0.814 194 L CB 1.889 43.157 42.059 -1.318 0.000 1.257 194 L HN 0.641 nan 8.230 nan 0.000 0.424 195 V N 5.571 125.325 119.914 -0.268 0.000 2.409 195 V HA 0.462 4.582 4.120 0.000 0.000 0.291 195 V C -0.409 175.591 176.094 -0.157 0.000 1.020 195 V CA -0.686 61.495 62.300 -0.199 0.000 0.848 195 V CB 1.747 33.465 31.823 -0.175 0.000 0.990 195 V HN 0.568 nan 8.190 nan 0.000 0.430 196 V N 4.643 124.477 119.914 -0.134 0.000 2.364 196 V HA 0.922 5.042 4.120 0.000 0.000 0.272 196 V C 0.625 176.687 176.094 -0.052 0.000 1.036 196 V CA 0.638 62.888 62.300 -0.084 0.000 0.880 196 V CB 0.709 32.480 31.823 -0.087 0.000 0.991 196 V HN 1.274 nan 8.190 nan 0.000 0.460 197 G N 4.050 112.846 108.800 -0.008 0.000 2.375 197 G HA2 0.460 4.420 3.960 0.000 0.000 0.663 197 G HA3 0.460 4.420 3.960 0.000 0.000 0.663 197 G C -0.358 174.571 174.900 0.048 0.000 1.391 197 G CA -0.058 45.048 45.100 0.010 0.000 0.949 197 G HN 1.369 nan 8.290 nan 0.000 0.646 198 A N -0.172 122.690 122.820 0.071 0.000 2.592 198 A HA 0.769 5.089 4.320 0.000 0.000 0.290 198 A C 1.094 178.759 177.584 0.135 0.000 0.998 198 A CA 1.334 53.441 52.037 0.117 0.000 0.983 198 A CB -0.327 18.757 19.000 0.140 0.000 1.240 198 A HN 2.309 nan 8.150 nan 0.000 0.535 199 S N -0.806 114.959 115.700 0.109 0.000 2.590 199 S HA 0.445 4.915 4.470 0.000 0.000 0.282 199 S C 1.359 176.063 174.600 0.174 0.000 1.136 199 S CA 0.186 58.496 58.200 0.184 0.000 1.030 199 S CB -0.396 62.901 63.200 0.162 0.000 1.195 199 S HN 0.961 nan 8.310 nan 0.000 0.506 200 Y N 0.155 120.574 120.300 0.199 0.000 2.053 200 Y HA -0.103 4.447 4.550 -0.000 0.000 0.277 200 Y C 2.134 178.121 175.900 0.145 0.000 1.159 200 Y CA 1.568 59.763 58.100 0.158 0.000 1.125 200 Y CB -1.708 36.855 38.460 0.172 0.000 0.969 200 Y HN 0.219 nan 8.280 nan 0.000 0.492 201 V N 1.542 121.186 119.914 -0.450 0.000 2.250 201 V HA -0.408 3.712 4.120 0.000 0.000 0.250 201 V C 2.951 179.021 176.094 -0.040 0.000 1.060 201 V CA 2.496 64.674 62.300 -0.203 0.000 1.030 201 V CB -1.771 29.863 31.823 -0.316 0.000 0.643 201 V HN 0.730 nan 8.190 nan 0.000 0.445 202 A N -0.210 122.575 122.820 -0.059 0.000 1.851 202 A HA -0.204 4.116 4.320 0.000 0.000 0.216 202 A C 2.212 179.800 177.584 0.007 0.000 1.195 202 A CA 2.267 54.285 52.037 -0.032 0.000 0.622 202 A CB -0.727 18.263 19.000 -0.017 0.000 0.831 202 A HN 0.504 nan 8.150 nan 0.000 0.444 203 L N -0.670 120.596 121.223 0.072 0.000 2.042 203 L HA -0.247 4.093 4.340 0.000 0.000 0.210 203 L C 2.685 179.616 176.870 0.101 0.000 1.076 203 L CA 1.830 56.736 54.840 0.109 0.000 0.749 203 L CB -0.874 41.284 42.059 0.165 0.000 0.893 203 L HN 0.515 nan 8.230 nan 0.000 0.432 204 E N -0.281 120.005 120.200 0.142 0.000 2.038 204 E HA -0.244 4.106 4.350 0.000 0.000 0.195 204 E C 2.316 179.025 176.600 0.181 0.000 1.000 204 E CA 1.880 58.406 56.400 0.210 0.000 0.803 204 E CB -0.289 29.594 29.700 0.305 0.000 0.750 204 E HN 0.570 nan 8.360 nan 0.000 0.448 205 C N 0.881 120.212 119.300 0.052 0.000 2.446 205 C HA -0.051 4.409 4.460 0.000 0.000 0.277 205 C C 2.961 177.633 174.990 -0.529 0.000 1.275 205 C CA 0.603 59.398 59.018 -0.373 0.000 1.727 205 C CB -1.076 26.542 27.740 -0.203 0.000 2.010 205 C HN 0.512 nan 8.230 nan 0.000 0.486 206 A N 1.173 123.855 122.820 -0.231 0.000 1.908 206 A HA 0.007 4.327 4.320 0.000 0.000 0.218 206 A C 2.376 179.869 177.584 -0.151 0.000 1.181 206 A CA 2.275 54.195 52.037 -0.196 0.000 0.627 206 A CB -1.307 17.611 19.000 -0.137 0.000 0.818 206 A HN 0.554 nan 8.150 nan 0.000 0.445 207 G N -0.088 108.682 108.800 -0.049 0.000 2.453 207 G HA2 -0.192 3.768 3.960 0.000 0.000 0.215 207 G HA3 -0.192 3.768 3.960 0.000 0.000 0.215 207 G C 1.420 176.395 174.900 0.125 0.000 1.201 207 G CA 1.362 46.508 45.100 0.077 0.000 0.784 207 G HN 0.830 nan 8.290 nan 0.000 0.545 208 F N 0.379 120.428 119.950 0.164 0.000 2.259 208 F HA 0.192 4.719 4.527 0.000 0.000 0.298 208 F C 2.112 177.993 175.800 0.134 0.000 1.088 208 F CA 0.168 58.268 58.000 0.166 0.000 1.358 208 F CB -0.782 38.339 39.000 0.202 0.000 1.040 208 F HN -0.005 nan 8.300 nan 0.000 0.505 209 L N 1.693 122.739 121.223 -0.295 0.000 2.021 209 L HA -0.212 4.128 4.340 0.000 0.000 0.215 209 L C 2.785 179.687 176.870 0.053 0.000 1.074 209 L CA 1.837 56.643 54.840 -0.058 0.000 0.760 209 L CB -1.819 40.120 42.059 -0.199 0.000 0.889 209 L HN 0.390 nan 8.230 nan 0.000 0.433 210 A N -1.014 121.814 122.820 0.014 0.000 1.898 210 A HA -0.061 4.259 4.320 0.000 0.000 0.216 210 A C 2.329 179.956 177.584 0.072 0.000 1.181 210 A CA 1.503 53.562 52.037 0.038 0.000 0.620 210 A CB -1.244 17.771 19.000 0.026 0.000 0.819 210 A HN 0.462 nan 8.150 nan 0.000 0.442 211 G N -0.922 107.940 108.800 0.103 0.000 2.559 211 G HA2 -0.013 3.947 3.960 0.000 0.000 0.216 211 G HA3 -0.013 3.947 3.960 0.000 0.000 0.216 211 G C 1.051 175.979 174.900 0.046 0.000 1.126 211 G CA 0.837 45.992 45.100 0.091 0.000 0.778 211 G HN 0.356 nan 8.290 nan 0.000 0.543 212 I N 0.377 120.981 120.570 0.056 0.000 3.793 212 I HA 0.274 4.444 4.170 0.000 0.000 0.315 212 I C 1.916 178.062 176.117 0.048 0.000 1.275 212 I CA 0.011 61.282 61.300 -0.048 0.000 1.214 212 I CB 0.046 38.050 38.000 0.006 0.000 1.018 212 I HN 0.293 nan 8.210 nan 0.000 0.439 213 G N -0.052 108.794 108.800 0.076 0.000 2.175 213 G HA2 -0.162 3.798 3.960 0.000 0.000 0.182 213 G HA3 -0.162 3.798 3.960 0.000 0.000 0.182 213 G C 0.294 175.244 174.900 0.083 0.000 1.003 213 G CA -0.197 44.953 45.100 0.084 0.000 0.666 213 G HN 0.253 nan 8.290 nan 0.000 0.506 214 L N 0.637 121.910 121.223 0.082 0.000 2.431 214 L HA 0.558 4.898 4.340 0.000 0.000 0.260 214 L C 0.321 177.209 176.870 0.029 0.000 1.098 214 L CA -0.992 53.883 54.840 0.058 0.000 0.800 214 L CB 0.722 42.816 42.059 0.057 0.000 1.210 214 L HN 0.105 nan 8.230 nan 0.000 0.465 215 D N 1.324 121.736 120.400 0.020 0.000 2.352 215 D HA 0.255 4.895 4.640 0.000 0.000 0.245 215 D C -1.049 175.258 176.300 0.012 0.000 1.224 215 D CA -0.011 53.995 54.000 0.010 0.000 0.879 215 D CB 1.067 41.870 40.800 0.005 0.000 1.057 215 D HN 0.062 nan 8.370 nan 0.000 0.491 216 V N 3.407 123.311 119.914 -0.017 0.000 2.715 216 V HA 0.488 4.608 4.120 0.000 0.000 0.310 216 V C 0.359 176.402 176.094 -0.085 0.000 1.054 216 V CA -0.548 61.722 62.300 -0.051 0.000 0.928 216 V CB 2.300 34.063 31.823 -0.099 0.000 1.007 216 V HN 0.578 nan 8.190 nan 0.000 0.437 217 T N 2.932 117.428 114.554 -0.096 0.000 2.893 217 T HA 0.608 4.958 4.350 0.000 0.000 0.293 217 T C -1.047 173.504 174.700 -0.249 0.000 1.027 217 T CA -0.358 61.653 62.100 -0.148 0.000 0.988 217 T CB 1.918 70.799 68.868 0.022 0.000 1.043 217 T HN 0.336 nan 8.240 nan 0.000 0.461 218 V N 3.771 123.460 119.914 -0.376 0.000 2.448 218 V HA 0.515 4.635 4.120 0.000 0.000 0.295 218 V C -0.287 175.772 176.094 -0.058 0.000 1.025 218 V CA -0.783 61.349 62.300 -0.279 0.000 0.859 218 V CB 1.651 33.204 31.823 -0.450 0.000 0.988 218 V HN 0.887 nan 8.190 nan 0.000 0.431 219 M N 7.396 126.985 119.600 -0.018 0.000 2.088 219 M HA 0.609 5.089 4.480 0.000 0.000 0.346 219 M C -0.736 175.629 176.300 0.108 0.000 1.111 219 M CA -0.525 54.806 55.300 0.053 0.000 1.017 219 M CB 1.193 33.798 32.600 0.008 0.000 1.568 219 M HN 0.590 nan 8.290 nan 0.000 0.445 220 V N 3.027 123.040 119.914 0.166 0.000 2.483 220 V HA 0.569 4.689 4.120 0.000 0.000 0.295 220 V C 0.577 176.753 176.094 0.135 0.000 1.035 220 V CA -0.656 61.733 62.300 0.148 0.000 0.896 220 V CB 1.676 33.591 31.823 0.153 0.000 0.986 220 V HN 1.097 nan 8.190 nan 0.000 0.447 221 R N 3.259 123.820 120.500 0.101 0.000 2.055 221 R HA 0.065 4.405 4.340 0.000 0.000 0.226 221 R C 1.672 178.016 176.300 0.073 0.000 1.135 221 R CA 1.924 58.074 56.100 0.084 0.000 0.959 221 R CB 0.004 30.340 30.300 0.060 0.000 0.854 221 R HN 1.037 nan 8.270 nan 0.000 0.431 222 S N -0.410 115.330 115.700 0.066 0.000 3.571 222 S HA 0.273 4.743 4.470 0.000 0.000 0.175 222 S C 0.751 175.381 174.600 0.050 0.000 0.907 222 S CA -0.267 57.965 58.200 0.053 0.000 1.087 222 S CB -0.487 62.738 63.200 0.041 0.000 1.471 222 S HN 0.302 nan 8.310 nan 0.000 0.877 223 I N 0.630 121.230 120.570 0.050 0.000 3.062 223 I HA 0.648 4.818 4.170 0.000 0.000 0.318 223 I C -0.943 175.212 176.117 0.064 0.000 1.026 223 I CA -1.407 59.921 61.300 0.046 0.000 1.096 223 I CB 0.803 38.833 38.000 0.049 0.000 1.348 223 I HN 0.412 nan 8.210 nan 0.000 0.543 224 L N 2.054 123.314 121.223 0.061 0.000 2.344 224 L HA 0.419 4.759 4.340 0.000 0.000 0.272 224 L C 0.196 177.159 176.870 0.156 0.000 1.035 224 L CA -1.066 53.831 54.840 0.095 0.000 0.807 224 L CB 1.190 43.284 42.059 0.059 0.000 1.237 224 L HN 0.643 nan 8.230 nan 0.000 0.442 225 L N 1.039 122.391 121.223 0.215 0.000 3.739 225 L HA -0.227 4.113 4.340 0.000 0.000 0.442 225 L C 0.856 177.942 176.870 0.361 0.000 1.241 225 L CA 0.233 55.291 54.840 0.364 0.000 0.819 225 L CB -1.137 41.140 42.059 0.363 0.000 1.679 225 L HN 0.757 nan 8.230 nan 0.000 0.889 226 R N 0.795 121.428 120.500 0.222 0.000 2.537 226 R HA 0.223 4.563 4.340 0.000 0.000 0.281 226 R C 1.345 177.710 176.300 0.108 0.000 0.988 226 R CA 1.317 57.506 56.100 0.147 0.000 1.077 226 R CB 0.327 30.686 30.300 0.098 0.000 0.932 226 R HN 0.459 nan 8.270 nan 0.000 0.409 227 G N 3.090 111.921 108.800 0.051 0.000 2.307 227 G HA2 -0.239 3.721 3.960 0.000 0.000 0.210 227 G HA3 -0.239 3.721 3.960 0.000 0.000 0.210 227 G C -0.318 174.486 174.900 -0.161 0.000 1.005 227 G CA -0.172 44.868 45.100 -0.100 0.000 0.634 227 G HN 0.501 nan 8.290 nan 0.000 0.496 228 F N 2.011 122.049 119.950 0.147 0.000 2.432 228 F HA 0.541 5.068 4.527 -0.000 0.000 0.329 228 F C 0.596 176.514 175.800 0.196 0.000 1.076 228 F CA -0.999 57.124 58.000 0.205 0.000 1.018 228 F CB 1.062 40.232 39.000 0.282 0.000 1.201 228 F HN 0.028 nan 8.300 nan 0.000 0.489 229 D N 2.871 123.557 120.400 0.477 0.000 2.659 229 D HA -0.122 4.518 4.640 0.000 0.000 0.264 229 D C 1.109 177.510 176.300 0.168 0.000 1.329 229 D CA 0.313 54.469 54.000 0.260 0.000 0.963 229 D CB 0.702 41.615 40.800 0.188 0.000 1.136 229 D HN 0.425 nan 8.370 nan 0.000 0.554 230 Q N 3.109 122.977 119.800 0.113 0.000 2.173 230 Q HA -0.226 4.114 4.340 0.000 0.000 0.208 230 Q C 1.315 177.314 176.000 -0.001 0.000 0.989 230 Q CA 1.688 57.530 55.803 0.065 0.000 0.872 230 Q CB -0.250 28.515 28.738 0.045 0.000 0.909 230 Q HN 0.668 nan 8.270 nan 0.000 0.420 231 D N -0.585 119.792 120.400 -0.038 0.000 2.097 231 D HA -0.124 4.516 4.640 0.000 0.000 0.195 231 D C 1.719 177.932 176.300 -0.144 0.000 0.989 231 D CA 0.944 54.887 54.000 -0.095 0.000 0.827 231 D CB 0.076 40.805 40.800 -0.118 0.000 0.966 231 D HN 0.025 nan 8.370 nan 0.000 0.456 232 M N 0.557 120.061 119.600 -0.159 0.000 2.106 232 M HA -0.095 4.385 4.480 0.000 0.000 0.259 232 M C 2.303 178.437 176.300 -0.277 0.000 1.068 232 M CA 1.363 56.480 55.300 -0.305 0.000 1.100 232 M CB -1.503 30.791 32.600 -0.510 0.000 1.351 232 M HN 0.139 nan 8.290 nan 0.000 0.404 233 A N 0.521 123.266 122.820 -0.125 0.000 1.877 233 A HA -0.184 4.136 4.320 0.000 0.000 0.216 233 A C 2.029 179.577 177.584 -0.059 0.000 1.186 233 A CA 1.883 53.891 52.037 -0.048 0.000 0.620 233 A CB -0.775 18.268 19.000 0.071 0.000 0.822 233 A HN 0.501 nan 8.150 nan 0.000 0.443 234 N N 0.164 118.824 118.700 -0.066 0.000 2.166 234 N HA -0.118 4.622 4.740 0.000 0.000 0.186 234 N C 1.593 177.060 175.510 -0.071 0.000 1.019 234 N CA 1.356 54.362 53.050 -0.073 0.000 0.856 234 N CB -0.310 38.135 38.487 -0.070 0.000 0.993 234 N HN 0.549 nan 8.380 nan 0.000 0.426 235 K N 0.780 121.124 120.400 -0.093 0.000 2.002 235 K HA -0.037 4.283 4.320 0.000 0.000 0.209 235 K C 2.135 178.739 176.600 0.007 0.000 1.048 235 K CA 0.825 57.077 56.287 -0.058 0.000 0.930 235 K CB -0.320 32.111 32.500 -0.116 0.000 0.714 235 K HN 0.160 nan 8.250 nan 0.000 0.438 236 I N 1.005 121.554 120.570 -0.035 0.000 2.118 236 I HA -0.289 3.881 4.170 0.000 0.000 0.241 236 I C 2.564 178.743 176.117 0.103 0.000 1.070 236 I CA 1.657 62.972 61.300 0.025 0.000 1.327 236 I CB -0.867 37.128 38.000 -0.009 0.000 1.034 236 I HN 0.326 nan 8.210 nan 0.000 0.405 237 G N 0.148 108.966 108.800 0.030 0.000 2.514 237 G HA2 -0.278 3.682 3.960 0.000 0.000 0.217 237 G HA3 -0.278 3.682 3.960 0.000 0.000 0.217 237 G C 1.491 176.410 174.900 0.031 0.000 1.198 237 G CA 0.927 46.011 45.100 -0.026 0.000 0.780 237 G HN 0.427 nan 8.290 nan 0.000 0.565 238 E N -0.630 119.577 120.200 0.012 0.000 2.171 238 E HA -0.218 4.132 4.350 0.000 0.000 0.197 238 E C 2.188 178.867 176.600 0.131 0.000 0.997 238 E CA 0.939 57.363 56.400 0.040 0.000 0.810 238 E CB -0.235 29.478 29.700 0.021 0.000 0.738 238 E HN 0.573 nan 8.360 nan 0.000 0.467 239 H N 0.614 119.750 119.070 0.111 0.000 2.299 239 H HA -0.072 4.484 4.556 0.000 0.000 0.302 239 H C 2.094 177.607 175.328 0.308 0.000 1.078 239 H CA 1.514 57.683 56.048 0.202 0.000 1.323 239 H CB -0.015 29.819 29.762 0.120 0.000 1.381 239 H HN 0.161 nan 8.280 nan 0.000 0.498 240 M N 0.306 120.135 119.600 0.380 0.000 2.149 240 M HA -0.178 4.302 4.480 0.000 0.000 0.261 240 M C 2.380 178.864 176.300 0.306 0.000 1.064 240 M CA 1.732 57.246 55.300 0.355 0.000 1.102 240 M CB -0.370 32.477 32.600 0.411 0.000 1.369 240 M HN 0.344 nan 8.290 nan 0.000 0.408 241 E N 0.796 121.184 120.200 0.313 0.000 2.106 241 E HA -0.188 4.162 4.350 0.000 0.000 0.192 241 E C 1.642 178.289 176.600 0.078 0.000 0.984 241 E CA 1.121 57.664 56.400 0.239 0.000 0.806 241 E CB 0.125 29.941 29.700 0.193 0.000 0.750 241 E HN 0.528 nan 8.360 nan 0.000 0.458 242 E N -0.693 119.512 120.200 0.007 0.000 2.268 242 E HA -0.141 4.209 4.350 0.000 0.000 0.195 242 E C 0.270 176.633 176.600 -0.394 0.000 0.995 242 E CA 0.671 56.940 56.400 -0.218 0.000 0.836 242 E CB 0.012 29.514 29.700 -0.329 0.000 0.763 242 E HN 0.419 nan 8.360 nan 0.000 0.491 243 H N -0.738 118.254 119.070 -0.130 0.000 2.533 243 H HA 0.317 4.873 4.556 0.000 0.000 0.281 243 H C 0.546 175.854 175.328 -0.033 0.000 1.238 243 H CA 0.144 56.133 56.048 -0.099 0.000 1.024 243 H CB 0.481 30.165 29.762 -0.130 0.000 1.604 243 H HN 0.178 nan 8.280 nan 0.000 0.531 244 G N 1.217 110.032 108.800 0.024 0.000 2.249 244 G HA2 -0.264 3.696 3.960 0.000 0.000 0.273 244 G HA3 -0.264 3.696 3.960 0.000 0.000 0.273 244 G C -0.075 174.832 174.900 0.011 0.000 1.036 244 G CA 0.053 45.162 45.100 0.015 0.000 0.824 244 G HN 0.451 nan 8.290 nan 0.000 0.504 245 I N 0.059 120.640 120.570 0.018 0.000 2.339 245 I HA 0.321 4.491 4.170 0.000 0.000 0.290 245 I C 0.350 176.396 176.117 -0.119 0.000 0.994 245 I CA -0.827 60.422 61.300 -0.084 0.000 1.191 245 I CB 1.450 39.370 38.000 -0.134 0.000 1.343 245 I HN 0.043 nan 8.210 nan 0.000 0.458 246 K N 5.764 126.078 120.400 -0.143 0.000 2.144 246 K HA 0.615 4.935 4.320 0.000 0.000 0.270 246 K C -1.111 175.359 176.600 -0.216 0.000 1.005 246 K CA -0.137 56.106 56.287 -0.073 0.000 0.932 246 K CB 0.992 33.477 32.500 -0.025 0.000 1.021 246 K HN 0.250 nan 8.250 nan 0.000 0.462 247 F N 1.296 121.246 119.950 -0.001 0.000 2.551 247 F HA 0.481 5.008 4.527 0.000 0.000 0.316 247 F C -0.206 175.578 175.800 -0.027 0.000 1.089 247 F CA -0.910 57.087 58.000 -0.005 0.000 0.915 247 F CB 1.383 40.388 39.000 0.008 0.000 1.186 247 F HN 0.209 nan 8.300 nan 0.000 0.456 248 I N 4.344 125.015 120.570 0.168 0.000 2.382 248 I HA 0.412 4.582 4.170 0.000 0.000 0.286 248 I C -0.604 175.575 176.117 0.103 0.000 1.002 248 I CA -0.929 60.378 61.300 0.013 0.000 1.135 248 I CB 1.179 39.101 38.000 -0.130 0.000 1.288 248 I HN 0.380 nan 8.210 nan 0.000 0.448 249 R N 4.814 125.385 120.500 0.119 0.000 2.368 249 R HA 0.426 4.766 4.340 0.000 0.000 0.302 249 R C -0.447 176.054 176.300 0.335 0.000 1.002 249 R CA -0.851 55.358 56.100 0.181 0.000 0.929 249 R CB 1.087 31.454 30.300 0.112 0.000 1.073 249 R HN 0.514 nan 8.270 nan 0.000 0.464 250 Q N 0.533 120.498 119.800 0.275 0.000 2.447 250 Q HA -0.179 4.161 4.340 0.000 0.000 0.316 250 Q C -1.493 174.680 176.000 0.288 0.000 1.448 250 Q CA 0.896 56.833 55.803 0.223 0.000 0.804 250 Q CB -1.459 27.358 28.738 0.131 0.000 1.107 250 Q HN 0.492 nan 8.270 nan 0.000 0.373 251 F N -1.640 118.331 119.950 0.036 0.000 2.654 251 F HA 0.789 5.316 4.527 -0.000 0.000 0.308 251 F C -0.364 175.452 175.800 0.026 0.000 1.108 251 F CA -0.996 57.023 58.000 0.032 0.000 0.957 251 F CB 1.871 40.893 39.000 0.038 0.000 1.309 251 F HN -0.163 nan 8.300 nan 0.000 0.446 252 V N 2.403 122.422 119.914 0.175 0.000 2.733 252 V HA 0.453 4.573 4.120 0.000 0.000 0.306 252 V C -2.529 173.625 176.094 0.101 0.000 1.084 252 V CA -2.101 60.262 62.300 0.105 0.000 0.905 252 V CB 2.258 34.112 31.823 0.051 0.000 1.010 252 V HN 0.443 nan 8.190 nan 0.000 0.424 253 P HA 0.190 nan 4.420 nan 0.000 0.269 253 P C 0.670 178.008 177.300 0.065 0.000 1.209 253 P CA 0.185 63.327 63.100 0.071 0.000 0.776 253 P CB 0.649 32.374 31.700 0.041 0.000 0.876 254 T N -0.930 113.664 114.554 0.067 0.000 2.964 254 T HA 0.180 4.530 4.350 0.000 0.000 0.249 254 T C 0.270 175.006 174.700 0.060 0.000 1.000 254 T CA 0.044 62.178 62.100 0.056 0.000 0.992 254 T CB 0.090 68.989 68.868 0.051 0.000 1.087 254 T HN 0.518 nan 8.240 nan 0.000 0.489 255 K N 0.666 121.106 120.400 0.067 0.000 2.557 255 K HA 0.601 4.921 4.320 0.000 0.000 0.261 255 K C -2.088 174.561 176.600 0.082 0.000 0.932 255 K CA -1.052 55.279 56.287 0.074 0.000 0.829 255 K CB 1.736 34.275 32.500 0.064 0.000 1.358 255 K HN 0.161 nan 8.250 nan 0.000 0.430 256 I N 2.973 123.606 120.570 0.106 0.000 2.439 256 I HA 0.267 4.437 4.170 0.000 0.000 0.285 256 I C -0.639 175.552 176.117 0.123 0.000 1.021 256 I CA -0.724 60.642 61.300 0.111 0.000 1.091 256 I CB 1.847 39.933 38.000 0.145 0.000 1.242 256 I HN 0.740 nan 8.210 nan 0.000 0.439 257 E N 5.662 125.875 120.200 0.021 0.000 2.227 257 E HA 0.415 4.765 4.350 0.000 0.000 0.268 257 E C -1.027 175.411 176.600 -0.271 0.000 0.907 257 E CA -1.002 55.357 56.400 -0.068 0.000 0.786 257 E CB 2.421 32.108 29.700 -0.021 0.000 1.191 257 E HN 0.523 nan 8.360 nan 0.000 0.411 258 Q N 3.000 122.475 119.800 -0.541 0.000 2.331 258 Q HA 0.214 4.554 4.340 0.000 0.000 0.257 258 Q C -0.011 175.821 176.000 -0.280 0.000 0.957 258 Q CA -0.243 55.197 55.803 -0.604 0.000 0.923 258 Q CB 0.869 28.973 28.738 -1.057 0.000 1.212 258 Q HN 0.785 nan 8.270 nan 0.000 0.443 259 I N 2.365 122.823 120.570 -0.186 0.000 2.500 259 I HA 0.014 4.184 4.170 0.000 0.000 0.252 259 I C 0.584 176.642 176.117 -0.099 0.000 1.142 259 I CA 0.930 62.162 61.300 -0.114 0.000 1.451 259 I CB 0.364 38.312 38.000 -0.086 0.000 1.093 259 I HN 0.726 nan 8.210 nan 0.000 0.430 260 E N 0.046 120.179 120.200 -0.112 0.000 2.381 260 E HA 0.471 4.821 4.350 0.000 0.000 0.286 260 E C -1.365 175.185 176.600 -0.083 0.000 0.960 260 E CA -0.503 55.849 56.400 -0.082 0.000 0.793 260 E CB 1.845 31.504 29.700 -0.068 0.000 1.225 260 E HN 0.072 nan 8.360 nan 0.000 0.420 261 A N 1.884 124.672 122.820 -0.052 0.000 2.272 261 A HA 0.940 5.261 4.320 0.000 0.000 0.275 261 A C 0.404 177.957 177.584 -0.051 0.000 1.096 261 A CA 0.501 52.520 52.037 -0.030 0.000 0.822 261 A CB 0.883 19.890 19.000 0.010 0.000 1.088 261 A HN 0.851 nan 8.150 nan 0.000 0.495 262 G N -1.879 106.885 108.800 -0.060 0.000 2.353 262 G HA2 0.477 4.437 3.960 0.000 0.000 0.308 262 G HA3 0.477 4.437 3.960 0.000 0.000 0.308 262 G C 0.178 174.963 174.900 -0.192 0.000 1.418 262 G CA 0.665 45.704 45.100 -0.101 0.000 0.966 262 G HN 1.648 nan 8.290 nan 0.000 0.638 263 T N -1.230 113.169 114.554 -0.260 0.000 2.700 263 T HA 0.151 4.501 4.350 0.000 0.000 0.226 263 T C -1.602 172.537 174.700 -0.936 0.000 1.209 263 T CA 1.102 62.858 62.100 -0.573 0.000 1.755 263 T CB -1.087 67.573 68.868 -0.347 0.000 1.080 263 T HN 0.432 nan 8.240 nan 0.000 0.380 264 P HA 0.297 nan 4.420 nan 0.000 0.263 264 P C 0.352 177.466 177.300 -0.309 0.000 1.276 264 P CA 0.020 62.787 63.100 -0.555 0.000 0.986 264 P CB 0.065 31.581 31.700 -0.308 0.000 1.105 265 G N 3.717 112.368 108.800 -0.249 0.000 2.531 265 G HA2 0.402 4.362 3.960 0.000 0.000 0.253 265 G HA3 0.402 4.362 3.960 0.000 0.000 0.253 265 G C -0.526 174.312 174.900 -0.104 0.000 1.439 265 G CA -0.664 44.350 45.100 -0.144 0.000 1.056 265 G HN 0.320 nan 8.290 nan 0.000 0.555 266 R N -0.237 120.208 120.500 -0.091 0.000 2.483 266 R HA 0.351 4.691 4.340 0.000 0.000 0.303 266 R C -1.130 175.120 176.300 -0.083 0.000 0.987 266 R CA -0.647 55.409 56.100 -0.073 0.000 0.881 266 R CB 1.605 31.859 30.300 -0.076 0.000 1.177 266 R HN 0.158 nan 8.270 nan 0.000 0.451 267 L N 2.414 123.617 121.223 -0.033 0.000 2.331 267 L HA 0.526 4.866 4.340 0.000 0.000 0.275 267 L C 0.082 176.969 176.870 0.028 0.000 1.022 267 L CA -0.697 54.117 54.840 -0.044 0.000 0.812 267 L CB 1.457 43.510 42.059 -0.010 0.000 1.257 267 L HN 0.516 nan 8.230 nan 0.000 0.435 268 K N 2.104 122.504 120.400 0.000 0.000 2.367 268 K HA 0.561 4.881 4.320 0.000 0.000 0.263 268 K C -1.506 175.139 176.600 0.075 0.000 1.000 268 K CA -0.388 55.923 56.287 0.040 0.000 0.891 268 K CB 1.520 34.018 32.500 -0.003 0.000 1.117 268 K HN 0.406 nan 8.250 nan 0.000 0.443 269 V N 3.394 123.398 119.914 0.150 0.000 2.427 269 V HA 0.379 4.499 4.120 0.000 0.000 0.286 269 V C 0.107 176.276 176.094 0.125 0.000 1.034 269 V CA -0.624 61.756 62.300 0.132 0.000 0.893 269 V CB 1.416 33.329 31.823 0.149 0.000 0.982 269 V HN 0.943 nan 8.190 nan 0.000 0.452 270 T N 2.011 116.623 114.554 0.098 0.000 2.893 270 T HA 0.890 5.240 4.350 0.000 0.000 0.293 270 T C -0.683 174.087 174.700 0.116 0.000 1.027 270 T CA -0.160 62.001 62.100 0.103 0.000 0.988 270 T CB 1.950 70.866 68.868 0.080 0.000 1.043 270 T HN 1.239 nan 8.240 nan 0.000 0.461 271 A N 2.495 125.414 122.820 0.164 0.000 2.556 271 A HA 0.881 5.201 4.320 0.000 0.000 0.294 271 A C -0.911 176.813 177.584 0.232 0.000 1.091 271 A CA -1.083 51.078 52.037 0.207 0.000 0.704 271 A CB 1.918 21.092 19.000 0.290 0.000 1.300 271 A HN 1.152 nan 8.150 nan 0.000 0.406 272 K N 0.158 120.617 120.400 0.098 0.000 2.328 272 K HA 0.729 5.049 4.320 0.000 0.000 0.246 272 K C 0.192 176.588 176.600 -0.340 0.000 0.955 272 K CA 0.145 56.384 56.287 -0.081 0.000 0.817 272 K CB 1.934 34.408 32.500 -0.043 0.000 1.208 272 K HN 1.019 nan 8.250 nan 0.000 0.432 273 S N 0.206 115.540 115.700 -0.611 0.000 2.589 273 S HA 0.171 4.641 4.470 0.000 0.000 0.272 273 S C 0.895 175.313 174.600 -0.303 0.000 1.096 273 S CA 0.233 58.035 58.200 -0.663 0.000 0.985 273 S CB 0.495 63.037 63.200 -1.097 0.000 1.278 273 S HN 0.766 nan 8.310 nan 0.000 0.528 274 T N -1.419 112.993 114.554 -0.237 0.000 3.219 274 T HA 0.212 4.562 4.350 0.000 0.000 0.249 274 T C 0.548 175.180 174.700 -0.113 0.000 1.099 274 T CA 0.675 62.699 62.100 -0.125 0.000 0.988 274 T CB -0.993 67.824 68.868 -0.085 0.000 0.999 274 T HN 0.645 nan 8.240 nan 0.000 0.550 275 N N 0.110 118.715 118.700 -0.159 0.000 2.241 275 N HA 0.164 4.904 4.740 0.000 0.000 0.238 275 N C 0.709 176.164 175.510 -0.092 0.000 1.244 275 N CA 0.518 53.504 53.050 -0.106 0.000 0.880 275 N CB 0.152 38.582 38.487 -0.096 0.000 1.179 275 N HN 0.158 nan 8.380 nan 0.000 0.513 276 S N -0.935 114.704 115.700 -0.102 0.000 3.011 276 S HA -0.297 4.173 4.470 0.000 0.000 0.278 276 S C -0.024 174.547 174.600 -0.049 0.000 1.300 276 S CA 1.399 59.561 58.200 -0.065 0.000 1.248 276 S CB -1.567 61.611 63.200 -0.036 0.000 1.517 276 S HN 0.737 nan 8.310 nan 0.000 0.685 277 E N 1.297 121.459 120.200 -0.064 0.000 2.343 277 E HA 0.358 4.708 4.350 0.000 0.000 0.269 277 E C -0.165 176.450 176.600 0.025 0.000 1.047 277 E CA -0.321 56.078 56.400 -0.002 0.000 0.874 277 E CB 0.696 30.417 29.700 0.036 0.000 1.033 277 E HN 0.511 nan 8.360 nan 0.000 0.409 278 E N 2.213 122.468 120.200 0.091 0.000 2.238 278 E HA 0.284 4.634 4.350 0.000 0.000 0.267 278 E C -1.567 175.146 176.600 0.187 0.000 0.887 278 E CA -0.645 55.836 56.400 0.135 0.000 0.769 278 E CB 1.721 31.467 29.700 0.077 0.000 1.187 278 E HN 0.544 nan 8.360 nan 0.000 0.416 279 T N 1.596 116.290 114.554 0.234 0.000 2.848 279 T HA 0.424 4.774 4.350 0.000 0.000 0.285 279 T C 0.430 175.192 174.700 0.103 0.000 0.995 279 T CA -0.947 61.238 62.100 0.142 0.000 0.970 279 T CB 0.540 69.457 68.868 0.082 0.000 0.976 279 T HN 0.510 nan 8.240 nan 0.000 0.441 280 I N 0.214 120.824 120.570 0.065 0.000 2.227 280 I HA 0.416 4.586 4.170 0.000 0.000 0.297 280 I C 0.059 176.202 176.117 0.044 0.000 1.173 280 I CA -0.694 60.640 61.300 0.056 0.000 1.356 280 I CB -0.335 37.686 38.000 0.035 0.000 1.485 280 I HN 0.622 nan 8.210 nan 0.000 0.604 281 E N 5.126 125.378 120.200 0.087 0.000 2.729 281 E HA -0.078 4.272 4.350 0.000 0.000 0.246 281 E C -0.222 176.381 176.600 0.006 0.000 0.984 281 E CA 0.051 56.514 56.400 0.105 0.000 0.951 281 E CB 0.228 30.121 29.700 0.322 0.000 0.914 281 E HN 0.646 nan 8.360 nan 0.000 0.509 282 D N 3.621 123.931 120.400 -0.150 0.000 2.836 282 D HA -0.178 4.462 4.640 0.000 0.000 0.220 282 D C -0.059 175.960 176.300 -0.469 0.000 1.094 282 D CA 0.387 54.224 54.000 -0.273 0.000 0.820 282 D CB 0.287 40.892 40.800 -0.324 0.000 1.171 282 D HN 0.420 nan 8.370 nan 0.000 0.507 283 E N 0.354 120.390 120.200 -0.274 0.000 2.485 283 E HA 0.203 4.553 4.350 0.000 0.000 0.266 283 E C -0.478 175.853 176.600 -0.449 0.000 1.137 283 E CA 0.084 56.375 56.400 -0.182 0.000 1.010 283 E CB 0.089 29.729 29.700 -0.101 0.000 0.986 283 E HN 0.405 nan 8.360 nan 0.000 0.460 284 F N -0.578 119.337 119.950 -0.058 0.000 2.640 284 F HA 0.330 4.857 4.527 0.000 0.000 0.324 284 F C 1.155 176.915 175.800 -0.067 0.000 1.077 284 F CA -1.149 56.815 58.000 -0.060 0.000 0.965 284 F CB 0.932 39.897 39.000 -0.057 0.000 1.351 284 F HN 0.288 nan 8.300 nan 0.000 0.487 285 N N -0.638 118.137 118.700 0.126 0.000 2.290 285 N HA 0.026 4.766 4.740 0.000 0.000 0.179 285 N C -0.153 175.375 175.510 0.030 0.000 1.016 285 N CA 1.023 54.088 53.050 0.025 0.000 0.871 285 N CB 0.275 38.747 38.487 -0.026 0.000 0.987 285 N HN 0.442 nan 8.380 nan 0.000 0.431 286 T N 0.835 115.419 114.554 0.050 0.000 2.921 286 T HA 0.371 4.721 4.350 0.000 0.000 0.297 286 T C -0.772 173.903 174.700 -0.042 0.000 1.013 286 T CA -0.434 61.678 62.100 0.020 0.000 0.990 286 T CB 2.857 71.731 68.868 0.009 0.000 1.023 286 T HN -0.342 nan 8.240 nan 0.000 0.447 287 V N 4.688 124.570 119.914 -0.054 0.000 2.311 287 V HA 0.374 4.494 4.120 0.000 0.000 0.275 287 V C -0.262 175.757 176.094 -0.125 0.000 1.022 287 V CA -0.772 61.444 62.300 -0.139 0.000 0.830 287 V CB 1.088 32.844 31.823 -0.112 0.000 1.012 287 V HN 0.672 nan 8.190 nan 0.000 0.452 288 L N 6.599 127.725 121.223 -0.163 0.000 2.295 288 L HA 0.376 4.716 4.340 0.000 0.000 0.288 288 L C 0.325 177.093 176.870 -0.170 0.000 1.079 288 L CA 0.273 55.017 54.840 -0.160 0.000 0.830 288 L CB 0.753 42.708 42.059 -0.173 0.000 1.200 288 L HN 0.563 nan 8.230 nan 0.000 0.438 289 L N 5.117 126.228 121.223 -0.186 0.000 2.728 289 L HA 0.471 4.811 4.340 0.000 0.000 0.235 289 L C 0.838 177.569 176.870 -0.231 0.000 1.197 289 L CA 0.074 54.786 54.840 -0.213 0.000 0.992 289 L CB -0.631 41.261 42.059 -0.279 0.000 1.263 289 L HN 0.770 nan 8.230 nan 0.000 0.484 290 A N -0.846 121.860 122.820 -0.190 0.000 2.440 290 A HA 0.514 4.834 4.320 0.000 0.000 0.251 290 A C 0.428 177.937 177.584 -0.125 0.000 1.089 290 A CA -0.002 51.934 52.037 -0.168 0.000 0.779 290 A CB 0.476 19.393 19.000 -0.138 0.000 1.022 290 A HN 0.103 nan 8.150 nan 0.000 0.492 291 V N 1.754 121.607 119.914 -0.103 0.000 3.808 291 V HA 0.531 4.651 4.120 0.000 0.000 0.561 291 V C 0.406 176.481 176.094 -0.032 0.000 1.783 291 V CA 0.451 62.715 62.300 -0.060 0.000 2.262 291 V CB -0.507 31.285 31.823 -0.051 0.000 1.153 291 V HN 2.059 nan 8.190 nan 0.000 0.614 292 G N 1.012 109.791 108.800 -0.036 0.000 2.347 292 G HA2 0.275 4.235 3.960 0.000 0.000 0.477 292 G HA3 0.275 4.235 3.960 0.000 0.000 0.477 292 G C -1.509 173.397 174.900 0.011 0.000 1.349 292 G CA -0.976 44.122 45.100 -0.002 0.000 1.000 292 G HN 0.207 nan 8.290 nan 0.000 0.605 293 R N 0.077 120.601 120.500 0.039 0.000 2.626 293 R HA 0.516 4.856 4.340 0.000 0.000 0.274 293 R C -1.893 174.448 176.300 0.068 0.000 1.031 293 R CA -0.983 55.153 56.100 0.060 0.000 0.898 293 R CB 2.493 32.836 30.300 0.071 0.000 1.222 293 R HN 0.576 nan 8.270 nan 0.000 0.455 294 D N 1.079 121.526 120.400 0.079 0.000 2.362 294 D HA 0.214 4.854 4.640 0.000 0.000 0.247 294 D C -0.447 175.900 176.300 0.078 0.000 1.050 294 D CA -0.450 53.594 54.000 0.073 0.000 0.839 294 D CB 2.147 42.989 40.800 0.072 0.000 1.283 294 D HN 0.274 nan 8.370 nan 0.000 0.477 295 S N 0.838 116.578 115.700 0.066 0.000 2.537 295 S HA 0.022 4.492 4.470 0.000 0.000 0.286 295 S C 0.443 175.084 174.600 0.070 0.000 1.299 295 S CA -0.389 57.850 58.200 0.065 0.000 1.067 295 S CB 0.107 63.337 63.200 0.050 0.000 0.864 295 S HN 0.456 nan 8.310 nan 0.000 0.494 296 C N 4.126 123.474 119.300 0.079 0.000 2.518 296 C HA 0.272 4.732 4.460 0.000 0.000 0.456 296 C C 1.863 176.892 174.990 0.066 0.000 1.016 296 C CA -0.592 58.479 59.018 0.088 0.000 1.210 296 C CB -2.304 25.504 27.740 0.113 0.000 1.542 296 C HN 1.024 nan 8.230 nan 0.000 0.545 297 T N -2.405 112.184 114.554 0.058 0.000 3.058 297 T HA 0.096 4.446 4.350 0.000 0.000 0.278 297 T C 1.650 176.380 174.700 0.049 0.000 0.974 297 T CA -0.272 61.855 62.100 0.045 0.000 0.893 297 T CB 0.044 68.934 68.868 0.035 0.000 1.138 297 T HN 0.462 nan 8.240 nan 0.000 0.529 298 R N 2.401 122.936 120.500 0.057 0.000 2.062 298 R HA 0.056 4.396 4.340 0.000 0.000 0.226 298 R C 1.884 178.222 176.300 0.062 0.000 1.125 298 R CA 1.752 57.883 56.100 0.052 0.000 0.966 298 R CB -1.128 29.199 30.300 0.046 0.000 0.861 298 R HN 0.602 nan 8.270 nan 0.000 0.433 299 T N -0.673 113.936 114.554 0.092 0.000 3.260 299 T HA 0.304 4.654 4.350 0.000 0.000 0.254 299 T C 1.156 175.949 174.700 0.156 0.000 0.951 299 T CA -0.442 61.726 62.100 0.113 0.000 0.918 299 T CB -0.796 68.144 68.868 0.121 0.000 1.098 299 T HN 0.327 nan 8.240 nan 0.000 0.563 300 I N -2.856 117.765 120.570 0.086 0.000 3.816 300 I HA 0.633 4.803 4.170 0.000 0.000 0.334 300 I C 1.061 177.202 176.117 0.040 0.000 1.551 300 I CA -0.837 60.469 61.300 0.010 0.000 1.153 300 I CB -0.432 37.502 38.000 -0.110 0.000 1.197 300 I HN 0.280 nan 8.210 nan 0.000 0.439 301 G N 2.037 110.886 108.800 0.082 0.000 2.246 301 G HA2 -0.253 3.707 3.960 0.000 0.000 0.273 301 G HA3 -0.253 3.707 3.960 0.000 0.000 0.273 301 G C 0.522 175.515 174.900 0.155 0.000 1.055 301 G CA 0.549 45.718 45.100 0.114 0.000 0.851 301 G HN 0.515 nan 8.290 nan 0.000 0.500 302 L N -0.613 120.674 121.223 0.107 0.000 2.109 302 L HA -0.052 4.288 4.340 0.000 0.000 0.207 302 L C 2.852 179.712 176.870 -0.017 0.000 1.086 302 L CA 1.954 56.830 54.840 0.059 0.000 0.760 302 L CB -0.336 41.745 42.059 0.038 0.000 0.910 302 L HN 0.494 nan 8.230 nan 0.000 0.437 303 E N -0.419 119.780 120.200 -0.002 0.000 2.160 303 E HA -0.211 4.139 4.350 0.000 0.000 0.195 303 E C 1.789 178.370 176.600 -0.032 0.000 0.991 303 E CA 1.683 58.072 56.400 -0.019 0.000 0.810 303 E CB -1.349 28.348 29.700 -0.005 0.000 0.742 303 E HN 0.494 nan 8.360 nan 0.000 0.466 304 T N -1.890 112.653 114.554 -0.019 0.000 3.155 304 T HA 0.037 4.387 4.350 0.000 0.000 0.264 304 T C 1.351 176.003 174.700 -0.079 0.000 1.160 304 T CA 0.873 62.960 62.100 -0.022 0.000 1.075 304 T CB -0.190 68.691 68.868 0.021 0.000 0.921 304 T HN 0.144 nan 8.240 nan 0.000 0.533 305 V N -1.837 117.979 119.914 -0.163 0.000 3.485 305 V HA 0.624 4.744 4.120 0.000 0.000 0.280 305 V C 1.754 177.724 176.094 -0.206 0.000 1.495 305 V CA -0.233 61.915 62.300 -0.254 0.000 1.018 305 V CB -0.189 31.276 31.823 -0.597 0.000 0.818 305 V HN 0.564 nan 8.190 nan 0.000 0.436 306 G N 1.119 109.825 108.800 -0.157 0.000 2.131 306 G HA2 -0.198 3.762 3.960 0.000 0.000 0.223 306 G HA3 -0.198 3.762 3.960 0.000 0.000 0.223 306 G C 0.068 174.887 174.900 -0.134 0.000 0.990 306 G CA 0.008 45.039 45.100 -0.115 0.000 0.671 306 G HN 0.460 nan 8.290 nan 0.000 0.521 307 V N 2.297 122.108 119.914 -0.171 0.000 2.508 307 V HA 0.292 4.412 4.120 0.000 0.000 0.281 307 V C 0.827 176.865 176.094 -0.093 0.000 1.041 307 V CA -0.159 62.048 62.300 -0.155 0.000 1.016 307 V CB 1.177 32.895 31.823 -0.175 0.000 0.984 307 V HN 0.276 nan 8.190 nan 0.000 0.478 308 K N 6.009 126.360 120.400 -0.082 0.000 2.144 308 K HA 0.639 4.959 4.320 0.000 0.000 0.270 308 K C -0.382 176.191 176.600 -0.046 0.000 1.005 308 K CA -0.365 55.889 56.287 -0.055 0.000 0.932 308 K CB 2.318 34.788 32.500 -0.051 0.000 1.021 308 K HN 0.731 nan 8.250 nan 0.000 0.462 309 I N -0.335 120.217 120.570 -0.031 0.000 2.775 309 I HA 0.169 4.339 4.170 0.000 0.000 0.295 309 I C -1.094 175.014 176.117 -0.015 0.000 1.287 309 I CA -0.764 60.523 61.300 -0.022 0.000 1.029 309 I CB 2.277 40.270 38.000 -0.012 0.000 1.282 309 I HN 0.629 nan 8.210 nan 0.000 0.426 310 N N 5.429 124.121 118.700 -0.013 0.000 2.417 310 N HA -0.033 4.707 4.740 0.000 0.000 0.272 310 N C 0.773 176.282 175.510 -0.002 0.000 1.304 310 N CA -0.115 52.930 53.050 -0.009 0.000 0.906 310 N CB 0.690 39.172 38.487 -0.008 0.000 1.135 310 N HN 0.554 nan 8.380 nan 0.000 0.483 311 E N 2.647 122.845 120.200 -0.002 0.000 2.204 311 E HA -0.188 4.162 4.350 0.000 0.000 0.195 311 E C 1.187 177.791 176.600 0.007 0.000 0.990 311 E CA 0.867 57.269 56.400 0.003 0.000 0.821 311 E CB 0.138 29.839 29.700 0.001 0.000 0.750 311 E HN 0.590 nan 8.360 nan 0.000 0.477 312 K N 0.641 121.044 120.400 0.006 0.000 1.980 312 K HA -0.026 4.294 4.320 0.000 0.000 0.208 312 K C 0.998 177.606 176.600 0.014 0.000 1.043 312 K CA 1.098 57.390 56.287 0.009 0.000 0.938 312 K CB -0.376 32.127 32.500 0.006 0.000 0.724 312 K HN 0.230 nan 8.250 nan 0.000 0.438 313 T N -1.421 113.141 114.554 0.013 0.000 2.781 313 T HA 0.362 4.712 4.350 0.000 0.000 0.305 313 T C 1.019 175.729 174.700 0.018 0.000 1.001 313 T CA -0.447 61.664 62.100 0.018 0.000 0.950 313 T CB 1.375 70.252 68.868 0.014 0.000 0.955 313 T HN 0.245 nan 8.240 nan 0.000 0.471 314 G N 3.246 112.060 108.800 0.024 0.000 2.657 314 G HA2 -0.093 3.867 3.960 0.000 0.000 0.210 314 G HA3 -0.093 3.867 3.960 0.000 0.000 0.210 314 G C 0.746 175.656 174.900 0.018 0.000 1.145 314 G CA -0.111 45.003 45.100 0.023 0.000 0.776 314 G HN 0.637 nan 8.290 nan 0.000 0.540 315 K N 0.098 120.507 120.400 0.015 0.000 2.494 315 K HA 0.099 4.419 4.320 0.000 0.000 0.273 315 K C 0.335 176.933 176.600 -0.003 0.000 0.970 315 K CA 0.136 56.428 56.287 0.008 0.000 0.963 315 K CB 0.969 33.471 32.500 0.002 0.000 0.913 315 K HN 0.096 nan 8.250 nan 0.000 0.502 316 I N 4.269 124.834 120.570 -0.008 0.000 2.312 316 I HA 0.161 4.331 4.170 0.000 0.000 0.290 316 I C -2.106 173.991 176.117 -0.034 0.000 1.008 316 I CA -2.401 58.887 61.300 -0.020 0.000 1.226 316 I CB 1.567 39.559 38.000 -0.014 0.000 1.371 316 I HN 0.187 nan 8.210 nan 0.000 0.468 317 P HA 0.284 nan 4.420 nan 0.000 0.275 317 P C -0.751 176.513 177.300 -0.059 0.000 1.228 317 P CA -0.162 62.907 63.100 -0.051 0.000 0.786 317 P CB 1.225 32.896 31.700 -0.047 0.000 0.927 318 V N 0.559 120.434 119.914 -0.065 0.000 3.178 318 V HA 0.380 4.500 4.120 0.000 0.000 0.302 318 V C 0.436 176.498 176.094 -0.054 0.000 1.262 318 V CA -0.578 61.685 62.300 -0.061 0.000 1.030 318 V CB 2.306 34.100 31.823 -0.047 0.000 1.074 318 V HN 0.705 nan 8.190 nan 0.000 0.438 319 T N -0.977 113.555 114.554 -0.036 0.000 2.753 319 T HA 0.157 4.507 4.350 0.000 0.000 0.309 319 T C 0.647 175.346 174.700 -0.001 0.000 1.043 319 T CA 0.490 62.581 62.100 -0.016 0.000 0.964 319 T CB 0.216 69.086 68.868 0.003 0.000 1.206 319 T HN 0.862 nan 8.240 nan 0.000 0.528 320 D N -1.629 118.783 120.400 0.019 0.000 2.324 320 D HA 0.049 4.689 4.640 0.000 0.000 0.235 320 D C 0.888 177.240 176.300 0.086 0.000 1.095 320 D CA 0.171 54.197 54.000 0.044 0.000 0.871 320 D CB -0.213 40.613 40.800 0.044 0.000 0.906 320 D HN 0.787 nan 8.370 nan 0.000 0.522 321 E N -0.475 119.781 120.200 0.093 0.000 2.676 321 E HA 0.074 4.424 4.350 0.000 0.000 0.222 321 E C -0.351 176.366 176.600 0.195 0.000 0.968 321 E CA -0.124 56.355 56.400 0.131 0.000 1.090 321 E CB 0.434 30.215 29.700 0.135 0.000 1.066 321 E HN -0.050 nan 8.360 nan 0.000 0.496 322 E N 0.282 120.578 120.200 0.160 0.000 3.628 322 E HA -0.229 4.121 4.350 0.000 0.000 0.309 322 E C -0.213 176.530 176.600 0.239 0.000 0.839 322 E CA 0.702 57.216 56.400 0.190 0.000 1.123 322 E CB -1.221 28.608 29.700 0.216 0.000 1.568 322 E HN 0.291 nan 8.360 nan 0.000 0.440 323 Q N 0.729 120.585 119.800 0.093 0.000 2.288 323 Q HA 0.349 4.689 4.340 0.000 0.000 0.254 323 Q C 0.126 175.965 176.000 -0.269 0.000 0.932 323 Q CA 0.220 55.799 55.803 -0.374 0.000 0.902 323 Q CB 0.782 29.325 28.738 -0.324 0.000 1.203 323 Q HN 0.205 nan 8.270 nan 0.000 0.415 324 T N 1.472 115.814 114.554 -0.352 0.000 2.793 324 T HA 0.026 4.376 4.350 0.000 0.000 0.299 324 T C 1.065 175.642 174.700 -0.205 0.000 1.038 324 T CA -0.051 61.915 62.100 -0.223 0.000 0.948 324 T CB 0.134 68.864 68.868 -0.229 0.000 1.231 324 T HN 0.836 nan 8.240 nan 0.000 0.538 325 N N -0.751 117.855 118.700 -0.156 0.000 2.381 325 N HA -0.048 4.692 4.740 0.000 0.000 0.182 325 N C 0.053 175.483 175.510 -0.134 0.000 1.025 325 N CA 0.282 53.259 53.050 -0.122 0.000 0.888 325 N CB -0.312 38.118 38.487 -0.095 0.000 0.965 325 N HN 0.275 nan 8.380 nan 0.000 0.438 326 V N 1.922 121.718 119.914 -0.196 0.000 2.334 326 V HA 0.214 4.334 4.120 0.000 0.000 0.267 326 V C -1.417 174.531 176.094 -0.242 0.000 1.040 326 V CA -1.449 60.731 62.300 -0.201 0.000 0.866 326 V CB 1.243 32.875 31.823 -0.319 0.000 1.019 326 V HN 0.041 nan 8.190 nan 0.000 0.468 327 P HA -0.188 nan 4.420 nan 0.000 0.219 327 P C 0.870 178.166 177.300 -0.006 0.000 1.144 327 P CA 1.527 64.591 63.100 -0.060 0.000 0.806 327 P CB -0.056 31.684 31.700 0.068 0.000 0.771 328 Y N -2.770 117.477 120.300 -0.089 0.000 2.485 328 Y HA 0.448 4.998 4.550 0.000 0.000 0.260 328 Y C 0.325 176.266 175.900 0.070 0.000 1.173 328 Y CA -1.176 56.954 58.100 0.051 0.000 1.252 328 Y CB -0.628 37.874 38.460 0.069 0.000 1.123 328 Y HN -0.193 nan 8.280 nan 0.000 0.524 329 I N 1.400 121.690 120.570 -0.466 0.000 2.406 329 I HA 0.356 4.526 4.170 0.000 0.000 0.290 329 I C -1.329 174.579 176.117 -0.347 0.000 0.999 329 I CA -0.956 60.135 61.300 -0.348 0.000 1.124 329 I CB 1.317 38.962 38.000 -0.592 0.000 1.289 329 I HN -0.081 nan 8.210 nan 0.000 0.441 330 Y N 3.798 124.087 120.300 -0.018 0.000 2.602 330 Y HA 0.820 5.370 4.550 -0.000 0.000 0.342 330 Y C 0.195 176.102 175.900 0.012 0.000 1.029 330 Y CA -0.798 57.299 58.100 -0.006 0.000 1.080 330 Y CB 2.090 40.553 38.460 0.005 0.000 1.284 330 Y HN 0.588 nan 8.280 nan 0.000 0.485 331 A N 1.809 124.723 122.820 0.157 0.000 2.479 331 A HA 0.927 5.247 4.320 0.000 0.000 0.296 331 A C -1.763 175.880 177.584 0.099 0.000 1.121 331 A CA -0.668 51.427 52.037 0.097 0.000 0.743 331 A CB 1.568 20.596 19.000 0.047 0.000 1.323 331 A HN 0.534 nan 8.150 nan 0.000 0.415 332 I N 0.006 120.621 120.570 0.076 0.000 2.787 332 I HA 0.603 4.773 4.170 0.000 0.000 0.294 332 I C 0.562 176.721 176.117 0.070 0.000 1.365 332 I CA 0.958 62.305 61.300 0.078 0.000 1.029 332 I CB 1.326 39.360 38.000 0.057 0.000 1.313 332 I HN 1.696 nan 8.210 nan 0.000 0.431 333 G N 5.842 114.696 108.800 0.091 0.000 2.508 333 G HA2 -0.196 3.764 3.960 0.000 0.000 0.220 333 G HA3 -0.196 3.764 3.960 0.000 0.000 0.220 333 G C 0.271 175.219 174.900 0.080 0.000 1.287 333 G CA 0.258 45.407 45.100 0.081 0.000 0.916 333 G HN 0.499 nan 8.290 nan 0.000 0.574 334 D N -0.107 120.337 120.400 0.074 0.000 2.149 334 D HA -0.084 4.556 4.640 0.000 0.000 0.198 334 D C 2.605 178.940 176.300 0.059 0.000 0.990 334 D CA 1.292 55.337 54.000 0.075 0.000 0.839 334 D CB -0.122 40.730 40.800 0.086 0.000 0.948 334 D HN 0.304 nan 8.370 nan 0.000 0.460 335 I N 0.642 121.244 120.570 0.053 0.000 2.315 335 I HA -0.174 3.996 4.170 0.000 0.000 0.251 335 I C 0.754 176.885 176.117 0.023 0.000 1.125 335 I CA 0.165 61.489 61.300 0.040 0.000 1.392 335 I CB -1.012 37.011 38.000 0.039 0.000 1.065 335 I HN 0.005 nan 8.210 nan 0.000 0.424 336 L N 1.214 122.449 121.223 0.020 0.000 2.540 336 L HA -0.077 4.263 4.340 0.000 0.000 0.276 336 L C 1.007 177.858 176.870 -0.032 0.000 1.212 336 L CA 0.610 55.442 54.840 -0.014 0.000 0.893 336 L CB -0.501 41.538 42.059 -0.032 0.000 1.138 336 L HN 0.242 nan 8.230 nan 0.000 0.491 337 E N 2.418 122.590 120.200 -0.046 0.000 2.316 337 E HA 0.365 4.715 4.350 0.000 0.000 0.275 337 E C 1.051 177.606 176.600 -0.076 0.000 1.029 337 E CA 0.471 56.843 56.400 -0.046 0.000 0.871 337 E CB 0.365 30.039 29.700 -0.042 0.000 1.022 337 E HN 0.788 nan 8.360 nan 0.000 0.418 338 G N 3.578 112.342 108.800 -0.061 0.000 2.162 338 G HA2 -0.243 3.717 3.960 0.000 0.000 0.260 338 G HA3 -0.243 3.717 3.960 0.000 0.000 0.260 338 G C 0.239 175.074 174.900 -0.107 0.000 0.976 338 G CA 0.613 45.667 45.100 -0.076 0.000 0.655 338 G HN 0.473 nan 8.290 nan 0.000 0.533 339 K N -1.012 119.323 120.400 -0.108 0.000 2.651 339 K HA 0.791 5.111 4.320 0.000 0.000 0.283 339 K C 0.396 177.005 176.600 0.015 0.000 1.018 339 K CA -0.694 55.524 56.287 -0.114 0.000 1.127 339 K CB 0.115 32.474 32.500 -0.235 0.000 1.501 339 K HN 0.080 nan 8.250 nan 0.000 0.608 340 L N 1.684 122.970 121.223 0.105 0.000 2.334 340 L HA 0.333 4.673 4.340 0.000 0.000 0.276 340 L C 0.028 176.951 176.870 0.088 0.000 1.014 340 L CA -0.191 54.700 54.840 0.084 0.000 0.815 340 L CB 1.115 43.233 42.059 0.097 0.000 1.268 340 L HN 0.538 nan 8.230 nan 0.000 0.428 341 E N 4.374 124.618 120.200 0.074 0.000 1.964 341 E HA 0.433 4.783 4.350 0.000 0.000 0.264 341 E C -0.963 175.682 176.600 0.075 0.000 1.120 341 E CA -0.074 56.382 56.400 0.093 0.000 1.061 341 E CB 0.347 30.125 29.700 0.131 0.000 1.190 341 E HN 0.354 nan 8.360 nan 0.000 0.459 342 L N 1.065 122.323 121.223 0.058 0.000 2.436 342 L HA 0.231 4.571 4.340 0.000 0.000 0.268 342 L C 1.252 178.140 176.870 0.029 0.000 0.974 342 L CA -0.552 54.306 54.840 0.029 0.000 0.826 342 L CB 2.052 44.110 42.059 -0.000 0.000 1.291 342 L HN 0.217 nan 8.230 nan 0.000 0.406 343 T N 1.887 116.458 114.554 0.028 0.000 2.570 343 T HA -0.135 4.215 4.350 0.000 0.000 0.266 343 T C -1.004 173.699 174.700 0.004 0.000 1.071 343 T CA 1.966 64.078 62.100 0.020 0.000 1.172 343 T CB -0.646 68.234 68.868 0.020 0.000 0.864 343 T HN 0.488 nan 8.240 nan 0.000 0.421 344 P HA -0.071 nan 4.420 nan 0.000 0.217 344 P C 1.637 178.912 177.300 -0.041 0.000 1.151 344 P CA 0.695 63.782 63.100 -0.022 0.000 0.849 344 P CB -0.220 31.465 31.700 -0.026 0.000 0.787 345 V N 0.088 119.979 119.914 -0.038 0.000 2.261 345 V HA -0.277 3.843 4.120 0.000 0.000 0.246 345 V C 2.478 178.547 176.094 -0.041 0.000 1.047 345 V CA 2.342 64.601 62.300 -0.068 0.000 1.015 345 V CB -1.725 30.081 31.823 -0.029 0.000 0.642 345 V HN 0.108 nan 8.190 nan 0.000 0.446 346 A N 0.468 123.295 122.820 0.011 0.000 1.892 346 A HA -0.275 4.045 4.320 0.000 0.000 0.218 346 A C 2.236 179.816 177.584 -0.006 0.000 1.188 346 A CA 2.456 54.507 52.037 0.023 0.000 0.631 346 A CB -0.741 18.276 19.000 0.030 0.000 0.822 346 A HN 0.698 nan 8.150 nan 0.000 0.447 347 I N -1.980 118.580 120.570 -0.017 0.000 2.315 347 I HA -0.253 3.917 4.170 0.000 0.000 0.248 347 I C 2.301 178.395 176.117 -0.039 0.000 1.117 347 I CA 2.528 63.815 61.300 -0.023 0.000 1.404 347 I CB -0.360 37.632 38.000 -0.012 0.000 1.071 347 I HN 0.345 nan 8.210 nan 0.000 0.419 348 Q N 1.642 121.406 119.800 -0.061 0.000 2.030 348 Q HA -0.158 4.182 4.340 0.000 0.000 0.204 348 Q C 2.266 178.214 176.000 -0.087 0.000 0.986 348 Q CA 2.764 58.515 55.803 -0.086 0.000 0.843 348 Q CB -0.561 28.099 28.738 -0.129 0.000 0.904 348 Q HN 0.689 nan 8.270 nan 0.000 0.420 349 A N -0.147 122.621 122.820 -0.086 0.000 1.859 349 A HA -0.159 4.161 4.320 0.000 0.000 0.217 349 A C 2.308 179.872 177.584 -0.033 0.000 1.198 349 A CA 2.071 54.085 52.037 -0.038 0.000 0.629 349 A CB -1.726 17.301 19.000 0.044 0.000 0.830 349 A HN 0.569 nan 8.150 nan 0.000 0.446 350 G N -0.826 107.957 108.800 -0.028 0.000 2.553 350 G HA2 -0.345 3.615 3.960 0.000 0.000 0.218 350 G HA3 -0.345 3.615 3.960 0.000 0.000 0.218 350 G C 1.775 176.632 174.900 -0.071 0.000 1.195 350 G CA 1.328 46.401 45.100 -0.046 0.000 0.779 350 G HN 0.562 nan 8.290 nan 0.000 0.577 351 R N -0.124 120.343 120.500 -0.056 0.000 2.082 351 R HA -0.010 4.330 4.340 0.000 0.000 0.234 351 R C 2.756 179.014 176.300 -0.070 0.000 1.136 351 R CA 1.510 57.579 56.100 -0.051 0.000 0.935 351 R CB -0.499 29.780 30.300 -0.035 0.000 0.842 351 R HN 0.407 nan 8.270 nan 0.000 0.430 352 L N 0.878 122.059 121.223 -0.069 0.000 2.079 352 L HA -0.230 4.110 4.340 0.000 0.000 0.210 352 L C 2.629 179.432 176.870 -0.111 0.000 1.081 352 L CA 0.870 55.666 54.840 -0.074 0.000 0.752 352 L CB -0.564 41.456 42.059 -0.063 0.000 0.896 352 L HN 0.313 nan 8.230 nan 0.000 0.433 353 L N 0.422 121.569 121.223 -0.126 0.000 1.971 353 L HA -0.226 4.114 4.340 0.000 0.000 0.215 353 L C 2.725 179.411 176.870 -0.307 0.000 1.072 353 L CA 2.194 56.917 54.840 -0.196 0.000 0.758 353 L CB -0.631 41.309 42.059 -0.198 0.000 0.889 353 L HN 0.151 nan 8.230 nan 0.000 0.433 354 A N -1.202 121.426 122.820 -0.320 0.000 1.892 354 A HA -0.290 4.030 4.320 0.000 0.000 0.218 354 A C 2.231 179.522 177.584 -0.489 0.000 1.188 354 A CA 1.929 53.677 52.037 -0.482 0.000 0.631 354 A CB -0.805 17.997 19.000 -0.331 0.000 0.822 354 A HN 0.670 nan 8.150 nan 0.000 0.447 355 Q N -0.520 119.117 119.800 -0.272 0.000 2.112 355 Q HA -0.215 4.125 4.340 0.000 0.000 0.206 355 Q C 2.288 178.143 176.000 -0.240 0.000 0.987 355 Q CA 1.978 57.657 55.803 -0.206 0.000 0.858 355 Q CB -0.330 28.370 28.738 -0.062 0.000 0.905 355 Q HN 0.728 nan 8.270 nan 0.000 0.420 356 R N -0.261 120.116 120.500 -0.206 0.000 2.062 356 R HA -0.064 4.276 4.340 0.000 0.000 0.231 356 R C 2.561 178.753 176.300 -0.180 0.000 1.136 356 R CA 1.060 57.068 56.100 -0.154 0.000 0.948 356 R CB -0.341 29.890 30.300 -0.115 0.000 0.845 356 R HN 0.183 nan 8.270 nan 0.000 0.430 357 L N -0.652 120.401 121.223 -0.284 0.000 1.944 357 L HA -0.231 4.109 4.340 0.000 0.000 0.218 357 L C 1.883 178.809 176.870 0.093 0.000 1.075 357 L CA 1.411 56.144 54.840 -0.178 0.000 0.767 357 L CB -0.574 41.196 42.059 -0.482 0.000 0.890 357 L HN 0.285 nan 8.230 nan 0.000 0.434 358 Y N -1.010 119.034 120.300 -0.428 0.000 2.458 358 Y HA 0.278 4.828 4.550 0.000 0.000 0.256 358 Y C 1.978 177.361 175.900 -0.863 0.000 1.159 358 Y CA -0.252 57.526 58.100 -0.537 0.000 1.261 358 Y CB -0.953 37.213 38.460 -0.489 0.000 1.119 358 Y HN 0.059 nan 8.280 nan 0.000 0.524 359 G N -0.679 107.683 108.800 -0.731 0.000 3.159 359 G HA2 0.332 4.292 3.960 0.000 0.000 0.232 359 G HA3 0.332 4.292 3.960 0.000 0.000 0.232 359 G C 1.138 176.027 174.900 -0.018 0.000 1.116 359 G CA 0.000 44.874 45.100 -0.378 0.000 0.767 359 G HN 0.434 nan 8.290 nan 0.000 0.547 360 G N 0.315 109.083 108.800 -0.053 0.000 2.359 360 G HA2 -0.044 3.916 3.960 0.000 0.000 0.298 360 G HA3 -0.044 3.916 3.960 0.000 0.000 0.298 360 G C 0.252 175.157 174.900 0.008 0.000 1.030 360 G CA 0.779 45.880 45.100 0.001 0.000 1.149 360 G HN 1.368 nan 8.290 nan 0.000 0.512 361 S N -1.162 114.528 115.700 -0.017 0.000 2.607 361 S HA 0.815 5.285 4.470 0.000 0.000 0.303 361 S C 0.972 175.566 174.600 -0.009 0.000 1.086 361 S CA 0.651 58.849 58.200 -0.005 0.000 0.995 361 S CB 2.100 65.295 63.200 -0.009 0.000 1.084 361 S HN 1.405 nan 8.310 nan 0.000 0.507 362 T N -0.313 114.241 114.554 -0.000 0.000 3.174 362 T HA 0.320 4.670 4.350 0.000 0.000 0.269 362 T C 0.262 174.964 174.700 0.003 0.000 1.017 362 T CA 0.032 62.134 62.100 0.003 0.000 0.899 362 T CB -0.898 67.976 68.868 0.010 0.000 1.077 362 T HN 0.819 nan 8.240 nan 0.000 0.552 363 V N 1.204 121.115 119.914 -0.005 0.000 2.530 363 V HA 0.735 4.855 4.120 0.000 0.000 0.282 363 V C -0.238 175.851 176.094 -0.008 0.000 1.048 363 V CA -1.149 61.147 62.300 -0.007 0.000 0.997 363 V CB 0.158 31.973 31.823 -0.013 0.000 0.987 363 V HN 0.489 nan 8.190 nan 0.000 0.477 364 K N 3.702 124.104 120.400 0.003 0.000 2.281 364 K HA 0.665 4.985 4.320 0.000 0.000 0.242 364 K C -0.481 176.118 176.600 -0.002 0.000 0.971 364 K CA -0.870 55.428 56.287 0.019 0.000 0.834 364 K CB 1.034 33.566 32.500 0.052 0.000 1.181 364 K HN 0.782 nan 8.250 nan 0.000 0.435 365 C N 1.925 121.220 119.300 -0.008 0.000 2.576 365 C HA 0.328 4.788 4.460 0.000 0.000 0.401 365 C C -0.231 174.649 174.990 -0.185 0.000 1.314 365 C CA -0.421 58.499 59.018 -0.163 0.000 1.855 365 C CB -0.779 26.780 27.740 -0.302 0.000 2.537 365 C HN 0.800 nan 8.230 nan 0.000 0.578 366 D N 4.151 124.436 120.400 -0.192 0.000 2.411 366 D HA 0.170 4.810 4.640 0.000 0.000 0.225 366 D C -0.086 176.141 176.300 -0.121 0.000 1.156 366 D CA -0.110 53.846 54.000 -0.072 0.000 0.874 366 D CB 0.246 41.016 40.800 -0.049 0.000 1.034 366 D HN 0.739 nan 8.370 nan 0.000 0.502 367 Y N 1.349 121.645 120.300 -0.006 0.000 2.465 367 Y HA 0.121 4.671 4.550 -0.000 0.000 0.311 367 Y C 0.294 176.189 175.900 -0.009 0.000 1.204 367 Y CA -0.339 57.755 58.100 -0.009 0.000 1.272 367 Y CB 0.147 38.603 38.460 -0.006 0.000 1.083 367 Y HN 0.180 nan 8.280 nan 0.000 0.508 368 D N 0.966 121.423 120.400 0.095 0.000 2.249 368 D HA 0.108 4.748 4.640 0.000 0.000 0.246 368 D C -0.026 176.292 176.300 0.029 0.000 1.114 368 D CA -0.061 53.978 54.000 0.064 0.000 0.854 368 D CB 0.482 41.316 40.800 0.056 0.000 1.132 368 D HN 0.125 nan 8.370 nan 0.000 0.461 369 N N 0.634 119.352 118.700 0.030 0.000 2.727 369 N HA -0.162 4.578 4.740 0.000 0.000 0.251 369 N C -0.249 175.249 175.510 -0.021 0.000 1.040 369 N CA 0.354 53.409 53.050 0.009 0.000 0.712 369 N CB -1.343 37.149 38.487 0.008 0.000 0.912 369 N HN 0.330 nan 8.380 nan 0.000 0.545 370 V N -0.414 119.488 119.914 -0.019 0.000 2.406 370 V HA 0.580 4.700 4.120 0.000 0.000 0.272 370 V C -1.568 174.494 176.094 -0.053 0.000 1.043 370 V CA -1.387 60.887 62.300 -0.043 0.000 0.915 370 V CB 1.426 33.227 31.823 -0.036 0.000 0.988 370 V HN 0.060 nan 8.190 nan 0.000 0.466 371 P HA 0.336 nan 4.420 nan 0.000 0.272 371 P C -0.295 176.951 177.300 -0.090 0.000 1.230 371 P CA 0.303 63.343 63.100 -0.100 0.000 0.788 371 P CB 1.172 32.796 31.700 -0.126 0.000 0.949 372 T N -2.196 112.289 114.554 -0.116 0.000 2.853 372 T HA 0.611 4.961 4.350 0.000 0.000 0.311 372 T C -1.070 173.487 174.700 -0.239 0.000 1.307 372 T CA -0.578 61.443 62.100 -0.131 0.000 1.019 372 T CB 1.616 70.441 68.868 -0.072 0.000 1.264 372 T HN 0.667 nan 8.240 nan 0.000 0.497 373 T N -0.174 114.193 114.554 -0.311 0.000 2.933 373 T HA 0.634 4.984 4.350 0.000 0.000 0.305 373 T C -1.195 173.091 174.700 -0.691 0.000 1.092 373 T CA -0.647 61.131 62.100 -0.537 0.000 1.008 373 T CB 1.564 70.089 68.868 -0.571 0.000 1.102 373 T HN 0.749 nan 8.240 nan 0.000 0.469 374 V N 4.408 123.948 119.914 -0.622 0.000 2.364 374 V HA 0.396 4.516 4.120 0.000 0.000 0.272 374 V C -0.236 175.610 176.094 -0.414 0.000 1.036 374 V CA -0.678 61.392 62.300 -0.384 0.000 0.880 374 V CB 0.296 31.991 31.823 -0.214 0.000 0.991 374 V HN 0.906 nan 8.190 nan 0.000 0.460 375 F N 3.393 123.299 119.950 -0.074 0.000 2.705 375 F HA 0.168 4.695 4.527 0.000 0.000 0.355 375 F C 1.615 177.209 175.800 -0.343 0.000 1.172 375 F CA -0.499 57.341 58.000 -0.267 0.000 1.332 375 F CB -0.677 38.085 39.000 -0.397 0.000 1.621 375 F HN 0.554 nan 8.300 nan 0.000 0.605 376 T N -2.408 112.138 114.554 -0.014 0.000 2.766 376 T HA 0.110 4.460 4.350 0.000 0.000 0.295 376 T C -1.512 173.264 174.700 0.127 0.000 1.024 376 T CA -1.532 60.609 62.100 0.070 0.000 1.018 376 T CB 0.845 69.765 68.868 0.086 0.000 1.002 376 T HN -0.023 nan 8.240 nan 0.000 0.532 377 P HA -0.026 nan 4.420 nan 0.000 0.216 377 P C 0.323 177.717 177.300 0.157 0.000 1.153 377 P CA 0.635 63.892 63.100 0.262 0.000 0.858 377 P CB -0.020 31.807 31.700 0.211 0.000 0.789 378 L N 0.342 121.532 121.223 -0.055 0.000 2.264 378 L HA 0.229 4.569 4.340 0.000 0.000 0.287 378 L C 0.036 176.914 176.870 0.013 0.000 1.039 378 L CA -0.661 54.090 54.840 -0.149 0.000 0.829 378 L CB -0.062 41.581 42.059 -0.695 0.000 1.211 378 L HN -0.115 nan 8.230 nan 0.000 0.427 379 E N 3.428 123.698 120.200 0.116 0.000 2.418 379 E HA 0.037 4.387 4.350 0.000 0.000 0.261 379 E C -1.390 175.282 176.600 0.120 0.000 1.070 379 E CA 0.208 56.657 56.400 0.082 0.000 0.931 379 E CB 0.681 30.444 29.700 0.104 0.000 0.954 379 E HN 0.478 nan 8.360 nan 0.000 0.439 380 Y N 0.705 120.928 120.300 -0.129 0.000 2.327 380 Y HA 0.478 5.028 4.550 0.000 0.000 0.325 380 Y C -0.512 175.303 175.900 -0.142 0.000 0.999 380 Y CA -1.166 56.880 58.100 -0.091 0.000 1.195 380 Y CB 1.188 39.570 38.460 -0.130 0.000 1.132 380 Y HN 0.495 nan 8.280 nan 0.000 0.455 381 G N 3.272 112.104 108.800 0.053 0.000 2.432 381 G HA2 0.670 4.630 3.960 0.000 0.000 0.331 381 G HA3 0.670 4.630 3.960 0.000 0.000 0.331 381 G C -1.191 173.624 174.900 -0.142 0.000 1.170 381 G CA -0.371 44.631 45.100 -0.163 0.000 0.943 381 G HN 1.248 nan 8.290 nan 0.000 0.483 382 C N -1.161 118.000 119.300 -0.231 0.000 3.303 382 C HA 0.814 5.274 4.460 0.000 0.000 0.340 382 C C -0.898 174.014 174.990 -0.131 0.000 1.274 382 C CA -1.357 57.566 59.018 -0.158 0.000 1.234 382 C CB 1.028 28.563 27.740 -0.341 0.000 1.532 382 C HN 1.208 nan 8.230 nan 0.000 0.483 383 C N 2.658 121.898 119.300 -0.101 0.000 2.811 383 C HA 0.919 5.379 4.460 0.000 0.000 0.352 383 C C 0.661 175.637 174.990 -0.023 0.000 1.098 383 C CA 2.006 60.977 59.018 -0.077 0.000 1.295 383 C CB 0.757 28.413 27.740 -0.140 0.000 1.758 383 C HN 3.133 nan 8.230 nan 0.000 0.488 384 G N 4.370 113.176 108.800 0.010 0.000 2.482 384 G HA2 -0.051 3.909 3.960 0.000 0.000 0.214 384 G HA3 -0.051 3.909 3.960 0.000 0.000 0.214 384 G C -1.059 173.912 174.900 0.117 0.000 1.271 384 G CA -0.250 44.892 45.100 0.070 0.000 0.944 384 G HN 1.037 nan 8.290 nan 0.000 0.568 385 L N 0.733 122.064 121.223 0.180 0.000 2.399 385 L HA 0.581 4.921 4.340 0.000 0.000 0.266 385 L C 1.426 178.499 176.870 0.339 0.000 1.114 385 L CA -0.008 54.962 54.840 0.217 0.000 0.804 385 L CB 1.505 43.693 42.059 0.215 0.000 1.146 385 L HN 0.820 nan 8.230 nan 0.000 0.451 386 S N 0.396 116.274 115.700 0.296 0.000 2.592 386 S HA 0.026 4.496 4.470 0.000 0.000 0.271 386 S C 0.994 175.682 174.600 0.146 0.000 1.326 386 S CA -0.294 58.083 58.200 0.294 0.000 1.024 386 S CB 1.146 64.475 63.200 0.215 0.000 0.921 386 S HN 0.747 nan 8.310 nan 0.000 0.527 387 E N 2.040 122.247 120.200 0.011 0.000 2.048 387 E HA -0.269 4.081 4.350 0.000 0.000 0.202 387 E C 1.923 178.543 176.600 0.033 0.000 1.021 387 E CA 2.212 58.607 56.400 -0.008 0.000 0.825 387 E CB -0.314 29.338 29.700 -0.080 0.000 0.756 387 E HN 0.881 nan 8.360 nan 0.000 0.454 388 E N 0.574 120.792 120.200 0.030 0.000 2.085 388 E HA -0.279 4.071 4.350 0.000 0.000 0.194 388 E C 2.085 178.720 176.600 0.058 0.000 0.994 388 E CA 1.507 57.929 56.400 0.036 0.000 0.801 388 E CB -0.384 29.335 29.700 0.032 0.000 0.743 388 E HN 0.061 nan 8.360 nan 0.000 0.453 389 K N 1.250 121.696 120.400 0.078 0.000 2.209 389 K HA -0.031 4.289 4.320 0.000 0.000 0.204 389 K C 1.952 178.619 176.600 0.113 0.000 1.048 389 K CA 1.341 57.678 56.287 0.084 0.000 0.940 389 K CB -0.410 32.150 32.500 0.099 0.000 0.729 389 K HN 0.263 nan 8.250 nan 0.000 0.451 390 A N -0.057 122.851 122.820 0.147 0.000 1.898 390 A HA -0.038 4.282 4.320 0.000 0.000 0.214 390 A C 2.199 179.918 177.584 0.224 0.000 1.183 390 A CA 1.312 53.492 52.037 0.237 0.000 0.622 390 A CB -0.872 18.251 19.000 0.204 0.000 0.824 390 A HN 0.201 nan 8.150 nan 0.000 0.444 391 V N -0.951 119.039 119.914 0.126 0.000 2.407 391 V HA -0.264 3.856 4.120 0.000 0.000 0.248 391 V C 2.052 178.194 176.094 0.080 0.000 1.055 391 V CA 2.711 65.070 62.300 0.099 0.000 1.049 391 V CB -0.906 30.946 31.823 0.048 0.000 0.662 391 V HN 0.672 nan 8.190 nan 0.000 0.455 392 E N 0.553 120.786 120.200 0.056 0.000 2.058 392 E HA -0.298 4.052 4.350 0.000 0.000 0.194 392 E C 2.357 178.949 176.600 -0.014 0.000 0.997 392 E CA 1.923 58.335 56.400 0.020 0.000 0.801 392 E CB -0.203 29.505 29.700 0.013 0.000 0.746 392 E HN 0.729 nan 8.360 nan 0.000 0.450 393 K N -0.795 119.587 120.400 -0.029 0.000 2.001 393 K HA -0.108 4.212 4.320 0.000 0.000 0.208 393 K C 1.543 177.956 176.600 -0.311 0.000 1.048 393 K CA 1.520 57.675 56.287 -0.219 0.000 0.932 393 K CB -0.043 32.257 32.500 -0.334 0.000 0.715 393 K HN 0.123 nan 8.250 nan 0.000 0.437 394 F N -0.223 119.736 119.950 0.016 0.000 2.721 394 F HA 0.294 4.821 4.527 -0.000 0.000 0.301 394 F C 0.448 176.253 175.800 0.008 0.000 1.096 394 F CA 0.261 58.269 58.000 0.014 0.000 1.308 394 F CB 1.322 40.333 39.000 0.018 0.000 1.086 394 F HN 0.173 nan 8.300 nan 0.000 0.587 395 G N 1.553 110.445 108.800 0.154 0.000 3.409 395 G HA2 -0.194 3.766 3.960 0.000 0.000 0.686 395 G HA3 -0.194 3.766 3.960 0.000 0.000 0.686 395 G C 0.511 175.457 174.900 0.078 0.000 1.017 395 G CA -0.163 44.991 45.100 0.090 0.000 0.854 395 G HN 0.097 nan 8.290 nan 0.000 0.508 396 E N 1.396 121.624 120.200 0.047 0.000 2.181 396 E HA -0.306 4.044 4.350 0.000 0.000 0.225 396 E C 2.437 179.047 176.600 0.015 0.000 1.073 396 E CA 2.374 58.789 56.400 0.024 0.000 0.916 396 E CB -0.066 29.640 29.700 0.010 0.000 0.793 396 E HN 0.822 nan 8.360 nan 0.000 0.472 397 E N 0.307 120.517 120.200 0.017 0.000 2.233 397 E HA -0.205 4.145 4.350 0.000 0.000 0.199 397 E C 1.290 177.896 176.600 0.009 0.000 1.004 397 E CA 1.160 57.566 56.400 0.009 0.000 0.819 397 E CB -0.687 29.022 29.700 0.015 0.000 0.738 397 E HN 0.405 nan 8.360 nan 0.000 0.478 398 N N 0.184 118.901 118.700 0.029 0.000 2.230 398 N HA 0.181 4.921 4.740 0.000 0.000 0.202 398 N C 0.109 175.611 175.510 -0.014 0.000 1.119 398 N CA 0.014 53.078 53.050 0.023 0.000 0.851 398 N CB 0.993 39.525 38.487 0.075 0.000 0.990 398 N HN 0.173 nan 8.380 nan 0.000 0.497 399 I N 0.921 121.479 120.570 -0.020 0.000 2.404 399 I HA 0.156 4.326 4.170 0.000 0.000 0.293 399 I C -0.395 175.665 176.117 -0.096 0.000 0.992 399 I CA -0.552 60.716 61.300 -0.053 0.000 1.149 399 I CB 2.044 40.033 38.000 -0.018 0.000 1.315 399 I HN -0.217 nan 8.210 nan 0.000 0.446 400 E N 5.208 125.327 120.200 -0.134 0.000 2.199 400 E HA 0.514 4.864 4.350 0.000 0.000 0.265 400 E C -1.608 174.807 176.600 -0.308 0.000 0.882 400 E CA -0.481 55.765 56.400 -0.257 0.000 0.759 400 E CB 1.889 31.422 29.700 -0.278 0.000 1.148 400 E HN 0.217 nan 8.360 nan 0.000 0.412 401 V N 5.906 125.590 119.914 -0.383 0.000 2.350 401 V HA 0.362 4.482 4.120 0.000 0.000 0.285 401 V C -1.074 174.777 176.094 -0.405 0.000 1.014 401 V CA -0.616 61.502 62.300 -0.303 0.000 0.831 401 V CB 0.437 32.090 31.823 -0.284 0.000 1.000 401 V HN 0.614 nan 8.190 nan 0.000 0.433 402 Y N 5.097 125.329 120.300 -0.113 0.000 2.323 402 Y HA 0.677 5.227 4.550 0.000 0.000 0.331 402 Y C 0.650 176.511 175.900 -0.065 0.000 1.092 402 Y CA -0.451 57.607 58.100 -0.070 0.000 1.150 402 Y CB 1.077 39.508 38.460 -0.049 0.000 1.200 402 Y HN 0.824 nan 8.280 nan 0.000 0.472 403 H N -1.067 117.958 119.070 -0.076 0.000 2.990 403 H HA 0.848 5.404 4.556 -0.000 0.000 0.336 403 H C -1.415 173.732 175.328 -0.300 0.000 1.306 403 H CA -1.250 54.619 56.048 -0.297 0.000 1.118 403 H CB 2.150 31.717 29.762 -0.326 0.000 1.856 403 H HN 0.548 nan 8.280 nan 0.000 0.538 404 S N 0.464 115.848 115.700 -0.527 0.000 2.578 404 S HA 0.435 4.905 4.470 0.000 0.000 0.272 404 S C -1.895 172.471 174.600 -0.390 0.000 1.145 404 S CA -0.813 57.125 58.200 -0.437 0.000 0.835 404 S CB 1.105 64.163 63.200 -0.238 0.000 1.104 404 S HN 0.410 nan 8.310 nan 0.000 0.458 405 F N 2.426 122.379 119.950 0.005 0.000 2.380 405 F HA 0.821 5.348 4.527 -0.000 0.000 0.319 405 F C 0.237 176.202 175.800 0.275 0.000 1.113 405 F CA -0.302 57.791 58.000 0.155 0.000 1.056 405 F CB 1.174 40.222 39.000 0.080 0.000 1.289 405 F HN 0.612 nan 8.300 nan 0.000 0.515 406 F N -0.860 119.232 119.950 0.236 0.000 2.693 406 F HA 0.489 5.016 4.527 -0.000 0.000 0.309 406 F C -2.137 173.818 175.800 0.258 0.000 1.129 406 F CA -1.880 56.217 58.000 0.161 0.000 0.948 406 F CB 0.886 39.903 39.000 0.029 0.000 1.315 406 F HN 0.376 nan 8.300 nan 0.000 0.447 407 W N 4.634 125.950 121.300 0.026 0.000 2.453 407 W HA 0.660 5.320 4.660 0.000 0.000 0.310 407 W C -2.876 173.584 176.519 -0.099 0.000 1.000 407 W CA -3.264 54.038 57.345 -0.072 0.000 1.367 407 W CB 1.152 30.639 29.460 0.046 0.000 1.269 407 W HN 0.354 nan 8.180 nan 0.000 0.418 408 P HA -0.134 nan 4.420 nan 0.000 0.258 408 P C 1.132 178.165 177.300 -0.445 0.000 1.187 408 P CA 0.110 62.929 63.100 -0.467 0.000 0.767 408 P CB 0.511 31.560 31.700 -1.084 0.000 0.770 409 L N 4.668 125.729 121.223 -0.270 0.000 2.103 409 L HA -0.262 4.078 4.340 0.000 0.000 0.215 409 L C 1.749 178.509 176.870 -0.184 0.000 1.080 409 L CA 2.066 56.760 54.840 -0.245 0.000 0.764 409 L CB -1.033 40.938 42.059 -0.146 0.000 0.890 409 L HN 0.303 nan 8.230 nan 0.000 0.435 410 E N -1.617 118.520 120.200 -0.105 0.000 2.267 410 E HA -0.229 4.121 4.350 0.000 0.000 0.197 410 E C 1.710 178.499 176.600 0.316 0.000 0.998 410 E CA 1.244 57.716 56.400 0.120 0.000 0.830 410 E CB -0.325 29.454 29.700 0.133 0.000 0.751 410 E HN 0.590 nan 8.360 nan 0.000 0.491 411 W N 0.260 121.466 121.300 -0.157 0.000 3.003 411 W HA 0.106 4.766 4.660 -0.000 0.000 0.257 411 W C 1.906 178.258 176.519 -0.279 0.000 1.308 411 W CA 1.049 58.315 57.345 -0.133 0.000 1.529 411 W CB -1.089 28.370 29.460 -0.001 0.000 1.115 411 W HN 0.137 nan 8.180 nan 0.000 0.659 412 T N -2.313 112.017 114.554 -0.374 0.000 2.701 412 T HA -0.160 4.190 4.350 0.000 0.000 0.263 412 T C 1.951 176.574 174.700 -0.128 0.000 1.040 412 T CA 1.441 63.264 62.100 -0.461 0.000 1.147 412 T CB -0.983 67.543 68.868 -0.570 0.000 0.865 412 T HN -0.116 nan 8.240 nan 0.000 0.426 413 V N 3.320 123.136 119.914 -0.164 0.000 2.317 413 V HA -0.110 4.010 4.120 0.000 0.000 0.251 413 V C -0.276 175.699 176.094 -0.198 0.000 1.065 413 V CA 2.079 64.219 62.300 -0.266 0.000 1.049 413 V CB -1.496 29.923 31.823 -0.672 0.000 0.651 413 V HN 0.468 nan 8.190 nan 0.000 0.450 414 P HA 0.023 nan 4.420 nan 0.000 0.233 414 P C 0.605 177.935 177.300 0.051 0.000 1.167 414 P CA 0.773 63.865 63.100 -0.012 0.000 0.770 414 P CB 0.015 31.748 31.700 0.056 0.000 0.837 415 S N 0.054 115.822 115.700 0.114 0.000 3.527 415 S HA -0.175 4.295 4.470 0.000 0.000 0.409 415 S C 0.031 174.775 174.600 0.241 0.000 0.900 415 S CA 0.459 58.801 58.200 0.237 0.000 1.320 415 S CB -1.422 61.867 63.200 0.149 0.000 0.915 415 S HN 0.502 nan 8.310 nan 0.000 0.575 416 R N 0.700 121.408 120.500 0.347 0.000 2.710 416 R HA 0.628 4.968 4.340 0.000 0.000 0.270 416 R C -0.847 175.639 176.300 0.308 0.000 1.021 416 R CA -0.517 55.703 56.100 0.201 0.000 0.889 416 R CB 0.440 30.751 30.300 0.019 0.000 1.243 416 R HN 0.099 nan 8.270 nan 0.000 0.464 417 D N 0.365 120.843 120.400 0.130 0.000 2.697 417 D HA -0.233 4.407 4.640 0.000 0.000 0.235 417 D C -0.784 175.623 176.300 0.179 0.000 1.167 417 D CA 1.185 55.283 54.000 0.163 0.000 0.656 417 D CB -0.853 40.012 40.800 0.109 0.000 1.025 417 D HN 0.715 nan 8.370 nan 0.000 0.419 418 N N 0.957 119.493 118.700 -0.274 0.000 2.467 418 N HA -0.004 4.736 4.740 0.000 0.000 0.262 418 N C 0.510 175.711 175.510 -0.515 0.000 1.234 418 N CA -0.355 52.089 53.050 -1.010 0.000 0.952 418 N CB 0.464 38.007 38.487 -1.574 0.000 1.158 418 N HN 0.030 nan 8.380 nan 0.000 0.463 419 N N 0.665 119.076 118.700 -0.482 0.000 2.716 419 N HA -0.183 4.557 4.740 0.000 0.000 0.250 419 N C -0.390 174.904 175.510 -0.359 0.000 1.033 419 N CA 0.838 53.618 53.050 -0.451 0.000 0.727 419 N CB -0.398 37.712 38.487 -0.629 0.000 0.950 419 N HN 0.617 nan 8.380 nan 0.000 0.541 420 K N -0.669 119.711 120.400 -0.034 0.000 2.424 420 K HA 0.275 4.595 4.320 0.000 0.000 0.200 420 K C 0.343 177.072 176.600 0.216 0.000 1.279 420 K CA 0.458 56.825 56.287 0.133 0.000 0.918 420 K CB 0.321 32.978 32.500 0.261 0.000 1.287 420 K HN 0.310 nan 8.250 nan 0.000 0.502 421 C N 1.702 121.010 119.300 0.013 0.000 2.676 421 C HA 0.306 4.766 4.460 0.000 0.000 0.416 421 C C 0.033 175.042 174.990 0.032 0.000 1.299 421 C CA -0.343 58.514 59.018 -0.269 0.000 2.048 421 C CB -0.861 26.100 27.740 -1.300 0.000 2.713 421 C HN 0.383 nan 8.230 nan 0.000 0.624 422 Y N 0.526 120.950 120.300 0.207 0.000 2.524 422 Y HA 0.654 5.204 4.550 -0.000 0.000 0.347 422 Y C -0.435 175.616 175.900 0.251 0.000 1.005 422 Y CA -0.670 57.560 58.100 0.217 0.000 1.025 422 Y CB 1.364 39.834 38.460 0.017 0.000 1.275 422 Y HN 0.858 nan 8.280 nan 0.000 0.460 423 A N 5.438 127.803 122.820 -0.759 0.000 2.459 423 A HA 0.725 5.045 4.320 0.000 0.000 0.296 423 A C -1.703 175.302 177.584 -0.965 0.000 1.039 423 A CA -0.818 50.735 52.037 -0.807 0.000 0.698 423 A CB 1.223 19.465 19.000 -1.263 0.000 1.261 423 A HN 0.750 nan 8.150 nan 0.000 0.405 424 K N 0.427 120.501 120.400 -0.544 0.000 2.482 424 K HA 0.887 5.207 4.320 0.000 0.000 0.257 424 K C -1.798 174.746 176.600 -0.094 0.000 0.969 424 K CA -0.817 55.295 56.287 -0.292 0.000 0.842 424 K CB 2.455 34.875 32.500 -0.133 0.000 1.359 424 K HN 0.463 nan 8.250 nan 0.000 0.441 425 V N 2.557 122.469 119.914 -0.003 0.000 2.808 425 V HA 0.431 4.551 4.120 0.000 0.000 0.308 425 V C -1.116 175.052 176.094 0.123 0.000 1.099 425 V CA -0.798 61.558 62.300 0.093 0.000 0.920 425 V CB 1.928 33.826 31.823 0.125 0.000 1.014 425 V HN 0.700 nan 8.190 nan 0.000 0.425 426 I N 3.955 124.610 120.570 0.141 0.000 2.339 426 I HA 0.520 4.690 4.170 0.000 0.000 0.290 426 I C -0.408 175.754 176.117 0.074 0.000 0.994 426 I CA -0.218 61.133 61.300 0.085 0.000 1.191 426 I CB 1.436 39.501 38.000 0.109 0.000 1.343 426 I HN 0.475 nan 8.210 nan 0.000 0.458 427 C N 4.008 123.333 119.300 0.043 0.000 2.562 427 C HA 0.393 4.853 4.460 0.000 0.000 0.332 427 C C 0.481 175.410 174.990 -0.101 0.000 1.201 427 C CA -0.691 58.335 59.018 0.013 0.000 1.803 427 C CB 1.470 29.285 27.740 0.126 0.000 2.328 427 C HN 0.748 nan 8.230 nan 0.000 0.500 428 N N 1.313 119.902 118.700 -0.185 0.000 2.589 428 N HA 0.289 5.029 4.740 0.000 0.000 0.232 428 N C 0.642 176.056 175.510 -0.160 0.000 1.015 428 N CA -0.319 52.535 53.050 -0.326 0.000 0.931 428 N CB 0.115 38.212 38.487 -0.649 0.000 1.150 428 N HN 0.648 nan 8.380 nan 0.000 0.512 429 L N 1.751 122.917 121.223 -0.095 0.000 2.189 429 L HA -0.154 4.186 4.340 0.000 0.000 0.214 429 L C 1.745 178.601 176.870 -0.024 0.000 1.097 429 L CA 0.972 55.789 54.840 -0.037 0.000 0.764 429 L CB -0.141 41.904 42.059 -0.024 0.000 0.900 429 L HN 0.445 nan 8.230 nan 0.000 0.436 430 K N -0.652 119.730 120.400 -0.031 0.000 2.487 430 K HA -0.002 4.318 4.320 0.000 0.000 0.192 430 K C 0.171 176.773 176.600 0.004 0.000 1.027 430 K CA 0.453 56.745 56.287 0.008 0.000 1.054 430 K CB -0.002 32.533 32.500 0.059 0.000 0.824 430 K HN 0.127 nan 8.250 nan 0.000 0.510 431 D N 0.423 120.804 120.400 -0.033 0.000 2.945 431 D HA 0.092 4.732 4.640 0.000 0.000 0.340 431 D C -0.969 175.319 176.300 -0.019 0.000 1.240 431 D CA -0.324 53.663 54.000 -0.020 0.000 0.749 431 D CB -0.630 40.150 40.800 -0.035 0.000 1.217 431 D HN -0.022 nan 8.370 nan 0.000 0.514 432 N N 1.754 120.451 118.700 -0.005 0.000 2.708 432 N HA -0.243 4.497 4.740 0.000 0.000 0.249 432 N C -0.653 174.860 175.510 0.005 0.000 1.097 432 N CA 1.049 54.102 53.050 0.004 0.000 0.710 432 N CB -1.039 37.451 38.487 0.005 0.000 1.032 432 N HN 0.479 nan 8.380 nan 0.000 0.551 433 E N -2.422 117.777 120.200 -0.002 0.000 2.297 433 E HA -0.327 4.023 4.350 0.000 0.000 0.228 433 E C 0.102 176.706 176.600 0.007 0.000 1.213 433 E CA 0.526 56.936 56.400 0.015 0.000 0.712 433 E CB -0.722 29.027 29.700 0.081 0.000 1.202 433 E HN 0.514 nan 8.360 nan 0.000 0.376 434 R N 0.558 121.038 120.500 -0.032 0.000 2.538 434 R HA 0.074 4.414 4.340 0.000 0.000 0.282 434 R C -0.260 176.033 176.300 -0.012 0.000 1.009 434 R CA 0.102 56.188 56.100 -0.022 0.000 1.063 434 R CB 0.628 30.901 30.300 -0.046 0.000 0.945 434 R HN 0.042 nan 8.270 nan 0.000 0.414 435 V N 7.352 127.290 119.914 0.039 0.000 2.415 435 V HA 0.011 4.131 4.120 0.000 0.000 0.267 435 V C 1.084 177.223 176.094 0.074 0.000 1.042 435 V CA 0.144 62.493 62.300 0.081 0.000 1.000 435 V CB 0.723 32.624 31.823 0.131 0.000 1.015 435 V HN 0.818 nan 8.190 nan 0.000 0.478 436 V N 1.739 121.689 119.914 0.061 0.000 3.578 436 V HA 0.602 4.722 4.120 0.000 0.000 0.290 436 V C 0.820 177.003 176.094 0.147 0.000 1.376 436 V CA 0.543 62.892 62.300 0.082 0.000 1.083 436 V CB 0.099 31.945 31.823 0.039 0.000 0.911 436 V HN 0.776 nan 8.190 nan 0.000 0.433 437 G N -0.127 108.785 108.800 0.187 0.000 2.682 437 G HA2 0.627 4.587 3.960 0.000 0.000 0.300 437 G HA3 0.627 4.587 3.960 0.000 0.000 0.300 437 G C -2.009 173.082 174.900 0.318 0.000 1.391 437 G CA -0.614 44.655 45.100 0.281 0.000 0.990 437 G HN 0.152 nan 8.290 nan 0.000 0.501 438 F N 2.162 122.102 119.950 -0.017 0.000 2.617 438 F HA 0.658 5.185 4.527 0.000 0.000 0.325 438 F C -1.340 174.306 175.800 -0.256 0.000 1.179 438 F CA -0.824 57.141 58.000 -0.060 0.000 0.965 438 F CB 1.782 40.680 39.000 -0.170 0.000 1.232 438 F HN 0.521 nan 8.300 nan 0.000 0.461 439 H N 4.205 123.159 119.070 -0.194 0.000 2.782 439 H HA 0.691 5.247 4.556 0.000 0.000 0.347 439 H C -1.351 173.992 175.328 0.026 0.000 1.038 439 H CA -0.995 55.120 56.048 0.112 0.000 1.255 439 H CB 2.138 32.046 29.762 0.244 0.000 1.623 439 H HN 0.521 nan 8.280 nan 0.000 0.525 440 V N 4.475 124.587 119.914 0.330 0.000 2.686 440 V HA 0.537 4.657 4.120 0.000 0.000 0.306 440 V C -1.758 174.581 176.094 0.409 0.000 1.065 440 V CA -0.836 61.667 62.300 0.339 0.000 0.894 440 V CB 1.760 33.812 31.823 0.382 0.000 1.004 440 V HN 0.606 nan 8.190 nan 0.000 0.424 441 L N 7.417 128.860 121.223 0.366 0.000 2.353 441 L HA 1.058 5.398 4.340 0.000 0.000 0.270 441 L C -0.053 176.981 176.870 0.273 0.000 1.003 441 L CA 1.007 56.012 54.840 0.275 0.000 0.862 441 L CB 0.754 42.914 42.059 0.168 0.000 1.221 441 L HN 1.084 nan 8.230 nan 0.000 0.430 442 G N 4.060 113.006 108.800 0.243 0.000 2.341 442 G HA2 0.410 4.370 3.960 0.000 0.000 0.299 442 G HA3 0.410 4.370 3.960 0.000 0.000 0.299 442 G C -3.447 171.567 174.900 0.190 0.000 1.274 442 G CA -0.721 44.486 45.100 0.178 0.000 0.853 442 G HN 0.334 nan 8.290 nan 0.000 0.493 443 P HA 0.303 nan 4.420 nan 0.000 0.278 443 P C -0.103 177.304 177.300 0.180 0.000 1.238 443 P CA -0.108 63.105 63.100 0.189 0.000 0.794 443 P CB 0.533 32.303 31.700 0.117 0.000 0.955 444 N N 0.141 118.960 118.700 0.197 0.000 2.741 444 N HA -0.245 4.495 4.740 0.000 0.000 0.251 444 N C 1.119 176.726 175.510 0.161 0.000 1.112 444 N CA 1.048 54.202 53.050 0.173 0.000 0.750 444 N CB -1.619 36.946 38.487 0.131 0.000 1.119 444 N HN 0.529 nan 8.380 nan 0.000 0.561 445 A N 0.080 122.997 122.820 0.161 0.000 1.929 445 A HA -0.186 4.134 4.320 0.000 0.000 0.221 445 A C 2.369 180.001 177.584 0.081 0.000 1.211 445 A CA 2.764 54.880 52.037 0.132 0.000 0.657 445 A CB -1.132 17.918 19.000 0.082 0.000 0.827 445 A HN 0.567 nan 8.150 nan 0.000 0.462 446 G N -0.744 108.089 108.800 0.057 0.000 2.433 446 G HA2 -0.189 3.771 3.960 0.000 0.000 0.216 446 G HA3 -0.189 3.771 3.960 0.000 0.000 0.216 446 G C 1.335 176.270 174.900 0.058 0.000 1.186 446 G CA 0.933 46.059 45.100 0.044 0.000 0.779 446 G HN 0.577 nan 8.290 nan 0.000 0.543 447 E N 0.535 120.788 120.200 0.088 0.000 2.153 447 E HA -0.093 4.257 4.350 0.000 0.000 0.194 447 E C 2.780 179.417 176.600 0.062 0.000 0.988 447 E CA 0.807 57.245 56.400 0.062 0.000 0.811 447 E CB -0.475 29.265 29.700 0.068 0.000 0.746 447 E HN 0.360 nan 8.360 nan 0.000 0.466 448 V N 1.341 121.314 119.914 0.098 0.000 2.307 448 V HA -0.198 3.922 4.120 0.000 0.000 0.245 448 V C 2.406 178.566 176.094 0.110 0.000 1.045 448 V CA 2.083 64.466 62.300 0.139 0.000 1.024 448 V CB -0.780 31.157 31.823 0.190 0.000 0.651 448 V HN 0.262 nan 8.190 nan 0.000 0.449 449 T N -0.715 113.863 114.554 0.040 0.000 2.746 449 T HA -0.265 4.085 4.350 0.000 0.000 0.267 449 T C 1.911 176.490 174.700 -0.200 0.000 1.039 449 T CA 1.853 63.870 62.100 -0.138 0.000 1.142 449 T CB -0.250 68.568 68.868 -0.083 0.000 0.866 449 T HN 0.442 nan 8.240 nan 0.000 0.444 450 Q N 1.179 120.914 119.800 -0.109 0.000 2.047 450 Q HA -0.135 4.205 4.340 0.000 0.000 0.211 450 Q C 2.383 178.283 176.000 -0.166 0.000 1.005 450 Q CA 2.456 58.186 55.803 -0.121 0.000 0.866 450 Q CB -1.166 27.527 28.738 -0.074 0.000 0.938 450 Q HN 0.509 nan 8.270 nan 0.000 0.414 451 G N -0.957 107.741 108.800 -0.169 0.000 2.476 451 G HA2 -0.282 3.678 3.960 0.000 0.000 0.218 451 G HA3 -0.282 3.678 3.960 0.000 0.000 0.218 451 G C 1.173 175.843 174.900 -0.383 0.000 1.164 451 G CA 1.012 45.949 45.100 -0.271 0.000 0.768 451 G HN 0.431 nan 8.290 nan 0.000 0.560 452 F N 1.797 121.484 119.950 -0.438 0.000 2.161 452 F HA -0.011 4.516 4.527 0.000 0.000 0.300 452 F C 3.076 178.595 175.800 -0.469 0.000 1.089 452 F CA 1.003 58.666 58.000 -0.562 0.000 1.282 452 F CB -0.355 37.929 39.000 -1.194 0.000 1.010 452 F HN 0.245 nan 8.300 nan 0.000 0.485 453 A N 0.009 122.653 122.820 -0.294 0.000 1.978 453 A HA -0.146 4.174 4.320 0.000 0.000 0.220 453 A C 2.404 179.897 177.584 -0.152 0.000 1.170 453 A CA 1.812 53.721 52.037 -0.214 0.000 0.636 453 A CB -1.231 17.656 19.000 -0.188 0.000 0.810 453 A HN 0.336 nan 8.150 nan 0.000 0.448 454 A N -0.090 122.631 122.820 -0.166 0.000 1.855 454 A HA 0.178 4.498 4.320 0.000 0.000 0.215 454 A C 2.557 180.067 177.584 -0.123 0.000 1.191 454 A CA 2.117 54.073 52.037 -0.135 0.000 0.613 454 A CB -1.221 17.691 19.000 -0.146 0.000 0.829 454 A HN 1.148 nan 8.150 nan 0.000 0.442 455 A N -0.037 122.689 122.820 -0.158 0.000 1.884 455 A HA -0.203 4.117 4.320 0.000 0.000 0.219 455 A C 2.190 179.739 177.584 -0.058 0.000 1.197 455 A CA 1.801 53.768 52.037 -0.117 0.000 0.637 455 A CB -0.857 18.060 19.000 -0.138 0.000 0.827 455 A HN 0.505 nan 8.150 nan 0.000 0.450 456 L N -0.927 120.267 121.223 -0.050 0.000 2.043 456 L HA -0.221 4.119 4.340 0.000 0.000 0.212 456 L C 2.329 179.187 176.870 -0.020 0.000 1.075 456 L CA 1.563 56.394 54.840 -0.017 0.000 0.752 456 L CB -0.465 41.582 42.059 -0.020 0.000 0.891 456 L HN 0.298 nan 8.230 nan 0.000 0.432 457 K N -0.555 119.822 120.400 -0.040 0.000 2.515 457 K HA -0.080 4.240 4.320 0.000 0.000 0.196 457 K C 1.438 178.022 176.600 -0.026 0.000 1.038 457 K CA 0.686 56.954 56.287 -0.032 0.000 0.967 457 K CB -0.302 32.171 32.500 -0.045 0.000 0.780 457 K HN 0.424 nan 8.250 nan 0.000 0.483 458 C N 0.136 119.419 119.300 -0.030 0.000 2.884 458 C HA 0.258 4.718 4.460 0.000 0.000 0.287 458 C C 1.090 176.073 174.990 -0.012 0.000 1.310 458 C CA -0.194 58.809 59.018 -0.025 0.000 1.725 458 C CB -0.659 27.057 27.740 -0.039 0.000 2.060 458 C HN 0.617 nan 8.230 nan 0.000 0.618 459 G N 1.768 110.567 108.800 -0.002 0.000 2.272 459 G HA2 -0.255 3.705 3.960 0.000 0.000 0.280 459 G HA3 -0.255 3.705 3.960 0.000 0.000 0.280 459 G C -0.059 174.847 174.900 0.010 0.000 1.067 459 G CA 0.248 45.354 45.100 0.009 0.000 0.902 459 G HN 0.623 nan 8.290 nan 0.000 0.500 460 L N 1.847 123.079 121.223 0.014 0.000 2.628 460 L HA 0.515 4.855 4.340 0.000 0.000 0.274 460 L C 1.116 178.007 176.870 0.035 0.000 1.209 460 L CA 1.107 55.962 54.840 0.025 0.000 0.930 460 L CB 0.392 42.479 42.059 0.047 0.000 1.183 460 L HN 0.644 nan 8.230 nan 0.000 0.492 461 T N 1.265 115.833 114.554 0.025 0.000 2.943 461 T HA 0.346 4.696 4.350 0.000 0.000 0.284 461 T C 0.891 175.603 174.700 0.020 0.000 1.015 461 T CA -0.374 61.739 62.100 0.021 0.000 1.042 461 T CB 1.564 70.438 68.868 0.010 0.000 1.055 461 T HN 0.692 nan 8.240 nan 0.000 0.500 462 K N 0.878 121.285 120.400 0.012 0.000 2.063 462 K HA -0.181 4.139 4.320 0.000 0.000 0.208 462 K C 2.405 178.972 176.600 -0.055 0.000 1.048 462 K CA 2.348 58.617 56.287 -0.031 0.000 0.928 462 K CB -0.464 32.010 32.500 -0.042 0.000 0.713 462 K HN 0.839 nan 8.250 nan 0.000 0.442 463 Q N -0.217 119.564 119.800 -0.031 0.000 2.167 463 Q HA -0.187 4.153 4.340 0.000 0.000 0.202 463 Q C 1.967 177.955 176.000 -0.020 0.000 0.970 463 Q CA 1.245 57.029 55.803 -0.033 0.000 0.855 463 Q CB -0.315 28.413 28.738 -0.018 0.000 0.911 463 Q HN 0.437 nan 8.270 nan 0.000 0.438 464 Q N 0.487 120.283 119.800 -0.008 0.000 2.050 464 Q HA -0.141 4.199 4.340 0.000 0.000 0.202 464 Q C 2.198 178.201 176.000 0.006 0.000 0.980 464 Q CA 1.324 57.125 55.803 -0.003 0.000 0.840 464 Q CB -0.174 28.564 28.738 0.000 0.000 0.898 464 Q HN 0.320 nan 8.270 nan 0.000 0.424 465 L N 1.796 123.032 121.223 0.023 0.000 1.997 465 L HA -0.256 4.084 4.340 0.000 0.000 0.216 465 L C 1.620 178.509 176.870 0.032 0.000 1.074 465 L CA 2.042 56.919 54.840 0.062 0.000 0.763 465 L CB -0.733 41.379 42.059 0.088 0.000 0.890 465 L HN 0.181 nan 8.230 nan 0.000 0.434 466 D N -0.930 119.459 120.400 -0.019 0.000 2.149 466 D HA -0.165 4.475 4.640 0.000 0.000 0.198 466 D C 2.327 178.618 176.300 -0.016 0.000 0.990 466 D CA 1.576 55.554 54.000 -0.036 0.000 0.839 466 D CB -0.098 40.658 40.800 -0.074 0.000 0.948 466 D HN 0.609 nan 8.370 nan 0.000 0.460 467 S N -0.284 115.408 115.700 -0.013 0.000 2.447 467 S HA -0.070 4.400 4.470 0.000 0.000 0.233 467 S C 1.101 175.698 174.600 -0.006 0.000 1.006 467 S CA 0.394 58.588 58.200 -0.011 0.000 0.957 467 S CB -0.387 62.806 63.200 -0.012 0.000 0.773 467 S HN -0.026 nan 8.310 nan 0.000 0.507 468 T N 3.792 118.347 114.554 0.003 0.000 2.930 468 T HA 0.365 4.715 4.350 0.000 0.000 0.306 468 T C -0.134 174.574 174.700 0.013 0.000 1.045 468 T CA -0.186 61.917 62.100 0.004 0.000 1.134 468 T CB 0.303 69.181 68.868 0.017 0.000 0.961 468 T HN 0.107 nan 8.240 nan 0.000 0.545 469 I N 2.368 122.942 120.570 0.007 0.000 2.488 469 I HA 0.452 4.622 4.170 0.000 0.000 0.299 469 I C 1.088 177.222 176.117 0.028 0.000 0.984 469 I CA -0.982 60.325 61.300 0.012 0.000 1.250 469 I CB 0.979 38.981 38.000 0.003 0.000 1.389 469 I HN 0.710 nan 8.210 nan 0.000 0.488 470 G N 5.251 114.074 108.800 0.039 0.000 2.451 470 G HA2 0.627 4.587 3.960 0.000 0.000 0.303 470 G HA3 0.627 4.587 3.960 0.000 0.000 0.303 470 G C -0.423 174.519 174.900 0.071 0.000 1.166 470 G CA -0.526 44.613 45.100 0.066 0.000 0.884 470 G HN 0.468 nan 8.290 nan 0.000 0.514 471 I N 0.434 121.053 120.570 0.083 0.000 2.365 471 I HA 0.246 4.416 4.170 0.000 0.000 0.291 471 I C -0.164 176.034 176.117 0.135 0.000 1.004 471 I CA -0.530 60.820 61.300 0.084 0.000 1.311 471 I CB 1.413 39.445 38.000 0.053 0.000 1.401 471 I HN 0.505 nan 8.210 nan 0.000 0.491 472 H N 7.032 126.112 119.070 0.016 0.000 2.538 472 H HA 0.601 5.157 4.556 0.000 0.000 0.353 472 H C -2.548 172.788 175.328 0.012 0.000 1.109 472 H CA -1.853 54.204 56.048 0.016 0.000 1.192 472 H CB 1.698 31.469 29.762 0.014 0.000 1.555 472 H HN 0.302 nan 8.280 nan 0.000 0.518 473 P HA 0.395 nan 4.420 nan 0.000 0.303 473 P C -1.448 175.729 177.300 -0.205 0.000 1.370 473 P CA -0.603 62.090 63.100 -0.679 0.000 0.854 473 P CB 1.450 32.704 31.700 -0.743 0.000 0.946 474 V N 2.546 122.425 119.914 -0.057 0.000 2.888 474 V HA 0.066 4.186 4.120 0.000 0.000 0.309 474 V C 1.131 177.251 176.094 0.044 0.000 1.114 474 V CA -0.511 61.789 62.300 0.000 0.000 0.940 474 V CB 1.978 33.820 31.823 0.031 0.000 1.021 474 V HN 0.679 nan 8.190 nan 0.000 0.426 475 C N 2.702 122.038 119.300 0.061 0.000 2.393 475 C HA -0.190 4.270 4.460 0.000 0.000 0.276 475 C C 2.844 177.841 174.990 0.012 0.000 1.215 475 C CA 1.830 60.910 59.018 0.104 0.000 1.743 475 C CB -0.992 26.870 27.740 0.203 0.000 2.044 475 C HN 1.071 nan 8.230 nan 0.000 0.464 476 A N 1.201 124.087 122.820 0.109 0.000 1.997 476 A HA -0.294 4.026 4.320 0.000 0.000 0.221 476 A C 2.058 179.783 177.584 0.234 0.000 1.172 476 A CA 2.251 54.422 52.037 0.223 0.000 0.645 476 A CB -0.857 18.291 19.000 0.247 0.000 0.813 476 A HN 0.873 nan 8.150 nan 0.000 0.454 477 E N 0.403 120.678 120.200 0.125 0.000 2.209 477 E HA -0.207 4.143 4.350 0.000 0.000 0.196 477 E C 1.502 178.117 176.600 0.024 0.000 0.993 477 E CA 1.537 58.006 56.400 0.114 0.000 0.819 477 E CB -0.747 29.019 29.700 0.111 0.000 0.745 477 E HN 0.645 nan 8.360 nan 0.000 0.477 478 I N -0.017 120.455 120.570 -0.163 0.000 2.530 478 I HA -0.164 4.006 4.170 0.000 0.000 0.257 478 I C 1.747 177.665 176.117 -0.333 0.000 1.179 478 I CA 0.888 61.999 61.300 -0.314 0.000 1.440 478 I CB -1.160 36.487 38.000 -0.587 0.000 1.087 478 I HN -0.023 nan 8.210 nan 0.000 0.440 479 F N 0.697 120.529 119.950 -0.196 0.000 2.451 479 F HA -0.080 4.447 4.527 0.000 0.000 0.299 479 F C 2.442 178.219 175.800 -0.039 0.000 1.101 479 F CA 1.403 59.301 58.000 -0.170 0.000 1.436 479 F CB -0.716 38.145 39.000 -0.232 0.000 1.074 479 F HN 0.073 nan 8.300 nan 0.000 0.553 480 T N -1.326 113.313 114.554 0.141 0.000 3.107 480 T HA 0.011 4.361 4.350 0.000 0.000 0.249 480 T C 0.876 175.584 174.700 0.013 0.000 1.096 480 T CA 1.159 63.320 62.100 0.103 0.000 1.012 480 T CB -0.353 68.579 68.868 0.106 0.000 0.977 480 T HN 0.247 nan 8.240 nan 0.000 0.527 481 T N 0.130 114.663 114.554 -0.036 0.000 3.967 481 T HA 0.415 4.765 4.350 0.000 0.000 0.262 481 T C -0.227 174.415 174.700 -0.098 0.000 0.966 481 T CA -0.528 61.534 62.100 -0.064 0.000 1.169 481 T CB -0.675 68.165 68.868 -0.047 0.000 1.038 481 T HN 0.141 nan 8.240 nan 0.000 0.541 482 L N 2.689 123.834 121.223 -0.130 0.000 2.342 482 L HA 0.457 4.797 4.340 0.000 0.000 0.285 482 L C 1.446 178.266 176.870 -0.083 0.000 1.095 482 L CA -0.335 54.433 54.840 -0.120 0.000 0.843 482 L CB 1.015 42.995 42.059 -0.132 0.000 1.201 482 L HN 0.577 nan 8.230 nan 0.000 0.445 483 S N 1.926 117.633 115.700 0.011 0.000 2.575 483 S HA 0.120 4.590 4.470 0.000 0.000 0.230 483 S C 0.504 175.220 174.600 0.193 0.000 1.062 483 S CA -0.230 58.013 58.200 0.072 0.000 0.913 483 S CB 0.511 63.728 63.200 0.028 0.000 0.837 483 S HN 0.239 nan 8.310 nan 0.000 0.487 484 V N 4.157 124.165 119.914 0.157 0.000 2.488 484 V HA 0.437 4.557 4.120 0.000 0.000 0.277 484 V C 0.686 176.902 176.094 0.203 0.000 1.046 484 V CA 0.100 62.494 62.300 0.156 0.000 0.986 484 V CB 0.751 32.630 31.823 0.094 0.000 0.989 484 V HN 0.695 nan 8.190 nan 0.000 0.475 485 T N 1.956 116.557 114.554 0.078 0.000 2.928 485 T HA 0.361 4.711 4.350 0.000 0.000 0.284 485 T C 0.897 175.553 174.700 -0.073 0.000 1.008 485 T CA -0.717 61.311 62.100 -0.120 0.000 1.057 485 T CB 1.561 70.239 68.868 -0.316 0.000 1.018 485 T HN 0.554 nan 8.240 nan 0.000 0.493 486 K N 0.498 120.745 120.400 -0.256 0.000 2.057 486 K HA -0.123 4.197 4.320 0.000 0.000 0.207 486 K C 2.457 178.995 176.600 -0.103 0.000 1.049 486 K CA 1.357 57.508 56.287 -0.226 0.000 0.931 486 K CB -0.142 32.102 32.500 -0.426 0.000 0.714 486 K HN 0.767 nan 8.250 nan 0.000 0.440 487 R N 0.596 121.015 120.500 -0.136 0.000 2.249 487 R HA -0.078 4.262 4.340 0.000 0.000 0.230 487 R C 1.369 177.639 176.300 -0.050 0.000 1.121 487 R CA 2.051 58.096 56.100 -0.091 0.000 0.997 487 R CB -0.073 30.160 30.300 -0.112 0.000 0.867 487 R HN 0.092 nan 8.270 nan 0.000 0.465 488 S N -1.249 114.429 115.700 -0.036 0.000 2.629 488 S HA 0.241 4.711 4.470 0.000 0.000 0.236 488 S C 0.679 175.289 174.600 0.018 0.000 1.010 488 S CA -0.154 58.041 58.200 -0.008 0.000 0.981 488 S CB 0.531 63.727 63.200 -0.007 0.000 0.919 488 S HN 0.491 nan 8.310 nan 0.000 0.514 489 G N 1.150 109.969 108.800 0.031 0.000 2.706 489 G HA2 0.190 4.150 3.960 0.000 0.000 0.343 489 G HA3 0.190 4.150 3.960 0.000 0.000 0.343 489 G C 0.386 175.322 174.900 0.061 0.000 0.121 489 G CA 0.195 45.335 45.100 0.067 0.000 1.208 489 G HN 0.902 nan 8.290 nan 0.000 0.529 490 G N 1.163 110.008 108.800 0.074 0.000 2.887 490 G HA2 0.562 4.522 3.960 0.000 0.000 0.277 490 G HA3 0.562 4.522 3.960 0.000 0.000 0.277 490 G C -0.699 174.233 174.900 0.054 0.000 1.346 490 G CA -0.389 44.742 45.100 0.052 0.000 1.058 490 G HN 0.626 nan 8.290 nan 0.000 0.535 491 D N -0.562 119.864 120.400 0.043 0.000 2.308 491 D HA 0.243 4.883 4.640 0.000 0.000 0.251 491 D C 1.357 177.685 176.300 0.046 0.000 1.127 491 D CA -0.361 53.669 54.000 0.049 0.000 0.876 491 D CB 0.813 41.636 40.800 0.038 0.000 1.176 491 D HN 0.288 nan 8.370 nan 0.000 0.446 492 I N 0.730 121.341 120.570 0.069 0.000 4.025 492 I HA 0.230 4.400 4.170 0.000 0.000 0.336 492 I C 0.008 176.265 176.117 0.233 0.000 1.390 492 I CA -0.333 61.008 61.300 0.067 0.000 1.099 492 I CB 0.010 37.924 38.000 -0.143 0.000 1.049 492 I HN 0.090 nan 8.210 nan 0.000 0.394 493 L N 3.782 125.106 121.223 0.168 0.000 2.401 493 L HA 0.329 4.669 4.340 0.000 0.000 0.283 493 L C -0.256 176.632 176.870 0.029 0.000 1.151 493 L CA 0.462 55.342 54.840 0.067 0.000 0.942 493 L CB -0.005 42.046 42.059 -0.014 0.000 1.283 493 L HN 0.376 nan 8.230 nan 0.000 0.442 494 Q N 2.484 122.309 119.800 0.043 0.000 2.878 494 Q HA 0.181 4.521 4.340 0.000 0.000 0.232 494 Q C -0.394 175.631 176.000 0.042 0.000 0.893 494 Q CA -0.279 55.542 55.803 0.032 0.000 0.742 494 Q CB 2.190 30.955 28.738 0.044 0.000 1.354 494 Q HN 0.723 nan 8.270 nan 0.000 0.466 495 S N -0.271 115.431 115.700 0.003 0.000 2.580 495 S HA 0.574 5.044 4.470 0.000 0.000 0.261 495 S C 1.137 175.792 174.600 0.093 0.000 1.366 495 S CA 0.489 58.708 58.200 0.031 0.000 0.996 495 S CB 0.981 64.157 63.200 -0.040 0.000 0.902 495 S HN 0.935 nan 8.310 nan 0.000 0.566 496 G N 0.176 109.074 108.800 0.163 0.000 2.595 496 G HA2 -0.262 3.698 3.960 0.000 0.000 0.297 496 G HA3 -0.262 3.698 3.960 0.000 0.000 0.297 496 G C -0.010 174.961 174.900 0.117 0.000 1.181 496 G CA 0.184 45.368 45.100 0.141 0.000 0.963 496 G HN 1.588 nan 8.290 nan 0.000 0.541 497 C N -0.992 118.357 119.300 0.081 0.000 3.086 497 C HA 0.670 5.130 4.460 0.000 0.000 0.311 497 C C 1.130 176.149 174.990 0.048 0.000 1.260 497 C CA 0.028 59.087 59.018 0.068 0.000 1.426 497 C CB 0.994 28.771 27.740 0.060 0.000 1.826 497 C HN 1.613 nan 8.230 nan 0.000 0.474 498 C N -0.484 118.840 119.300 0.040 0.000 4.272 498 C HA 0.747 5.207 4.460 0.000 0.000 0.504 498 C C 0.676 175.676 174.990 0.016 0.000 1.555 498 C CA 0.379 59.414 59.018 0.028 0.000 2.276 498 C CB -0.313 27.445 27.740 0.030 0.000 3.414 498 C HN 1.659 nan 8.230 nan 0.000 0.636 499 G N 0.000 108.806 108.800 0.011 0.000 5.446 499 G HA2 0.000 3.960 3.960 0.000 0.000 0.244 499 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 499 G CA 0.000 45.097 45.100 -0.005 0.000 0.502 499 G HN 0.000 nan 8.290 nan 0.000 0.925