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 2c8n_1_B DATA FIRST_RESID 3 DATA SEQUENCE KARMTVDKDY KIAEIDKRIY GSFVEHLGRA VYDGLYQPGN SKSDEDGFRK DATA SEQUENCE DVIELVKELN VPIIRYPGGN FVSNYFWEDG VGPVEDRPRR LDLAWKSIEP DATA SEQUENCE NQVGINEFAK WCKKVNAEIM MAVNLGTRGI SDACNLLEYC NHPGGSKYSD DATA SEQUENCE MRIKHGVKEP HNIKVWCLGN AMDGPWQVGH KTMDEYGRIA EETARAMKMI DATA SEQUENCE DPSIELVACG SSSKDMPTFP QWEATVLDYA YDYVDYISLH QYYGNKENDT DATA SEQUENCE ADFLAKSDDL DDFIRSVIAT CDYIKAKKRS KKDIYLSFDE WNVWYHSNNE DATA SEQUENCE DANIMQNEPW RIAPPLLEDI YTFEDALLVG LMLITLMKHA DRIKIACLAQ DATA SEQUENCE LINVIAPIVT ERNGGAAWRQ TIFYPFMHAS KYGRGIVLQP VINSPLHDTS DATA SEQUENCE KHEDVTDIES VAIYNEEKEE VTIFAVNRNI HEDIVLVSDV RGMKDYRLLE DATA SEQUENCE HIVLEHQDLK IRNSVNGEEV YPKNSDKSSF DDGILTSMLR RASWNVIRIG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 K HA 0.000 nan 4.320 nan 0.000 0.191 3 K C 0.000 176.611 176.600 0.018 0.000 0.988 3 K CA 0.000 56.298 56.287 0.018 0.000 0.838 3 K CB 0.000 32.508 32.500 0.013 0.000 1.064 4 A N 3.624 126.454 122.820 0.018 0.000 2.324 4 A HA 0.794 5.114 4.320 -0.000 0.000 0.330 4 A C -0.818 176.771 177.584 0.007 0.000 1.165 4 A CA -0.674 51.372 52.037 0.015 0.000 0.813 4 A CB 1.062 20.075 19.000 0.020 0.000 1.197 4 A HN 0.679 nan 8.150 nan 0.000 0.484 5 R N 0.739 121.241 120.500 0.002 0.000 2.637 5 R HA 0.712 5.052 4.340 -0.000 0.000 0.291 5 R C -0.885 175.408 176.300 -0.012 0.000 0.963 5 R CA -0.334 55.763 56.100 -0.005 0.000 0.901 5 R CB 2.010 32.307 30.300 -0.006 0.000 1.160 5 R HN 0.838 nan 8.270 nan 0.000 0.457 6 M N 1.407 120.997 119.600 -0.016 0.000 2.371 6 M HA 0.264 4.744 4.480 -0.000 0.000 0.287 6 M C -1.586 174.698 176.300 -0.027 0.000 1.149 6 M CA -0.393 54.892 55.300 -0.025 0.000 0.929 6 M CB 2.615 35.200 32.600 -0.026 0.000 1.683 6 M HN 0.581 nan 8.290 nan 0.000 0.470 7 T N 3.526 118.058 114.554 -0.036 0.000 2.779 7 T HA 0.680 5.030 4.350 -0.000 0.000 0.280 7 T C -1.520 173.153 174.700 -0.045 0.000 0.987 7 T CA -0.451 61.628 62.100 -0.036 0.000 0.966 7 T CB 0.875 69.724 68.868 -0.032 0.000 0.933 7 T HN 0.478 nan 8.240 nan 0.000 0.442 8 V N 5.525 125.414 119.914 -0.041 0.000 2.357 8 V HA 0.464 4.584 4.120 -0.000 0.000 0.284 8 V C -0.445 175.617 176.094 -0.054 0.000 1.018 8 V CA -0.697 61.574 62.300 -0.049 0.000 0.841 8 V CB 1.446 33.236 31.823 -0.055 0.000 0.991 8 V HN 0.886 nan 8.190 nan 0.000 0.437 9 D N 3.383 123.764 120.400 -0.032 0.000 2.471 9 D HA 0.263 4.903 4.640 -0.000 0.000 0.245 9 D C 0.899 177.191 176.300 -0.014 0.000 1.116 9 D CA -0.505 53.487 54.000 -0.013 0.000 0.853 9 D CB 1.865 42.702 40.800 0.062 0.000 1.123 9 D HN 0.534 nan 8.370 nan 0.000 0.540 10 K N 2.480 122.815 120.400 -0.110 0.000 2.113 10 K HA -0.199 4.121 4.320 -0.000 0.000 0.208 10 K C 0.263 176.846 176.600 -0.029 0.000 1.047 10 K CA 1.631 57.828 56.287 -0.150 0.000 0.928 10 K CB 0.137 32.430 32.500 -0.346 0.000 0.716 10 K HN 0.250 nan 8.250 nan 0.000 0.446 11 D N -0.767 119.622 120.400 -0.017 0.000 2.378 11 D HA -0.126 4.514 4.640 -0.000 0.000 0.222 11 D C -0.324 175.980 176.300 0.007 0.000 0.980 11 D CA 0.800 54.796 54.000 -0.007 0.000 0.907 11 D CB -0.012 40.776 40.800 -0.020 0.000 0.899 11 D HN 0.220 nan 8.370 nan 0.000 0.527 12 Y N 1.171 121.458 120.300 -0.021 0.000 2.944 12 Y HA 0.314 4.864 4.550 -0.000 0.000 0.335 12 Y C -0.174 175.727 175.900 0.002 0.000 1.075 12 Y CA -1.161 56.933 58.100 -0.009 0.000 1.240 12 Y CB -0.273 38.178 38.460 -0.015 0.000 1.167 12 Y HN -0.371 nan 8.280 nan 0.000 0.555 13 K N 2.761 123.287 120.400 0.210 0.000 2.138 13 K HA 0.348 4.668 4.320 -0.000 0.000 0.251 13 K C 0.489 177.216 176.600 0.212 0.000 1.015 13 K CA 0.082 56.472 56.287 0.172 0.000 0.917 13 K CB 1.063 33.619 32.500 0.093 0.000 1.021 13 K HN 0.579 nan 8.250 nan 0.000 0.485 14 I N -0.183 120.468 120.570 0.135 0.000 3.570 14 I HA 0.246 4.416 4.170 -0.000 0.000 0.270 14 I C 0.038 176.200 176.117 0.076 0.000 1.162 14 I CA -0.042 61.319 61.300 0.102 0.000 1.413 14 I CB 0.764 38.794 38.000 0.050 0.000 1.437 14 I HN 0.573 nan 8.210 nan 0.000 0.457 15 A N 0.653 123.512 122.820 0.064 0.000 2.612 15 A HA 0.536 4.856 4.320 -0.000 0.000 0.293 15 A C -1.294 176.315 177.584 0.043 0.000 1.075 15 A CA -0.396 51.670 52.037 0.049 0.000 0.680 15 A CB 1.328 20.350 19.000 0.037 0.000 1.279 15 A HN 0.112 nan 8.150 nan 0.000 0.411 16 E N 1.355 121.572 120.200 0.028 0.000 2.152 16 E HA 0.475 4.825 4.350 -0.000 0.000 0.285 16 E C -0.735 175.866 176.600 0.003 0.000 1.043 16 E CA -0.130 56.280 56.400 0.018 0.000 0.839 16 E CB 0.360 30.065 29.700 0.008 0.000 1.069 16 E HN 0.474 nan 8.360 nan 0.000 0.399 17 I N 4.040 124.616 120.570 0.010 0.000 2.618 17 I HA -0.020 4.150 4.170 -0.000 0.000 0.284 17 I C 0.317 176.423 176.117 -0.019 0.000 1.146 17 I CA 0.404 61.699 61.300 -0.008 0.000 1.425 17 I CB 0.557 38.571 38.000 0.024 0.000 1.383 17 I HN 0.613 nan 8.210 nan 0.000 0.562 18 D N 7.235 127.601 120.400 -0.057 0.000 2.313 18 D HA 0.043 4.682 4.640 -0.000 0.000 0.239 18 D C 1.019 177.281 176.300 -0.064 0.000 1.142 18 D CA -0.416 53.552 54.000 -0.053 0.000 0.847 18 D CB 1.201 41.960 40.800 -0.068 0.000 1.082 18 D HN 0.527 nan 8.370 nan 0.000 0.480 19 K N 3.305 123.708 120.400 0.005 0.000 2.366 19 K HA -0.175 4.144 4.320 -0.000 0.000 0.202 19 K C 1.084 177.704 176.600 0.034 0.000 1.045 19 K CA 0.927 57.260 56.287 0.078 0.000 0.934 19 K CB 0.050 32.603 32.500 0.088 0.000 0.746 19 K HN 0.289 nan 8.250 nan 0.000 0.470 20 R N 1.142 121.623 120.500 -0.032 0.000 2.323 20 R HA 0.073 4.412 4.340 -0.000 0.000 0.198 20 R C 2.125 178.376 176.300 -0.081 0.000 0.988 20 R CA 0.739 56.820 56.100 -0.032 0.000 1.041 20 R CB -0.345 29.931 30.300 -0.040 0.000 0.926 20 R HN 0.520 nan 8.270 nan 0.000 0.476 21 I N -3.266 117.160 120.570 -0.239 0.000 3.111 21 I HA -0.073 4.097 4.170 -0.000 0.000 0.272 21 I C 0.295 176.215 176.117 -0.328 0.000 1.268 21 I CA 0.844 61.948 61.300 -0.327 0.000 1.467 21 I CB 0.029 37.743 38.000 -0.477 0.000 1.087 21 I HN -0.061 nan 8.210 nan 0.000 0.467 22 Y N 2.690 123.007 120.300 0.029 0.000 2.645 22 Y HA 0.536 5.086 4.550 -0.000 0.000 0.307 22 Y C 1.495 177.579 175.900 0.307 0.000 1.151 22 Y CA -0.847 57.273 58.100 0.033 0.000 1.291 22 Y CB -0.632 37.701 38.460 -0.212 0.000 1.135 22 Y HN 0.113 nan 8.280 nan 0.000 0.523 23 G N -0.536 108.458 108.800 0.324 0.000 2.580 23 G HA2 0.432 4.392 3.960 -0.000 0.000 0.278 23 G HA3 0.432 4.392 3.960 -0.000 0.000 0.278 23 G C -0.169 174.876 174.900 0.242 0.000 1.212 23 G CA -0.119 45.127 45.100 0.243 0.000 0.939 23 G HN 0.249 nan 8.290 nan 0.000 0.513 24 S N -1.802 113.973 115.700 0.125 0.000 2.998 24 S HA 0.790 5.260 4.470 -0.000 0.000 0.323 24 S C -2.042 172.654 174.600 0.160 0.000 1.141 24 S CA -0.534 57.687 58.200 0.036 0.000 0.873 24 S CB 1.341 64.486 63.200 -0.091 0.000 1.315 24 S HN 0.846 nan 8.310 nan 0.000 0.637 25 F N 1.448 121.355 119.950 -0.073 0.000 2.605 25 F HA 0.679 5.205 4.527 -0.000 0.000 0.320 25 F C -1.922 173.841 175.800 -0.062 0.000 1.159 25 F CA -0.968 57.004 58.000 -0.047 0.000 0.999 25 F CB 1.046 39.991 39.000 -0.091 0.000 1.258 25 F HN 0.286 nan 8.300 nan 0.000 0.464 26 V N 5.955 125.883 119.914 0.024 0.000 2.483 26 V HA 0.446 4.566 4.120 -0.000 0.000 0.297 26 V C -0.528 175.297 176.094 -0.448 0.000 1.027 26 V CA -0.611 61.502 62.300 -0.311 0.000 0.855 26 V CB 1.676 33.442 31.823 -0.095 0.000 0.995 26 V HN 0.800 nan 8.190 nan 0.000 0.424 27 E N 2.739 122.496 120.200 -0.740 0.000 2.235 27 E HA 0.404 4.754 4.350 -0.000 0.000 0.265 27 E C -0.510 175.728 176.600 -0.604 0.000 0.940 27 E CA -0.834 55.226 56.400 -0.567 0.000 0.819 27 E CB 1.239 30.602 29.700 -0.562 0.000 1.206 27 E HN 0.744 nan 8.360 nan 0.000 0.409 28 H N 3.504 122.068 119.070 -0.843 0.000 3.195 28 H HA 0.172 4.727 4.556 -0.000 0.000 0.241 28 H C -0.505 174.426 175.328 -0.661 0.000 1.823 28 H CA 0.157 55.634 56.048 -0.952 0.000 1.466 28 H CB -0.226 28.479 29.762 -1.761 0.000 1.819 28 H HN 0.221 nan 8.280 nan 0.000 0.575 29 L N 0.400 121.310 121.223 -0.522 0.000 2.381 29 L HA 0.416 4.756 4.340 -0.000 0.000 0.268 29 L C 1.011 177.580 176.870 -0.501 0.000 0.997 29 L CA -0.222 54.239 54.840 -0.632 0.000 0.818 29 L CB 1.581 43.082 42.059 -0.930 0.000 1.310 29 L HN 0.657 nan 8.230 nan 0.000 0.416 30 G N 3.437 111.985 108.800 -0.420 0.000 2.698 30 G HA2 -0.378 3.582 3.960 -0.000 0.000 0.346 30 G HA3 -0.378 3.582 3.960 -0.000 0.000 0.346 30 G C 0.604 175.378 174.900 -0.210 0.000 1.287 30 G CA 0.851 45.778 45.100 -0.289 0.000 0.990 30 G HN 0.742 nan 8.290 nan 0.000 0.545 31 R N 1.155 121.517 120.500 -0.230 0.000 2.507 31 R HA 0.499 4.839 4.340 -0.000 0.000 0.298 31 R C 2.461 178.615 176.300 -0.243 0.000 0.999 31 R CA 0.626 56.620 56.100 -0.176 0.000 1.082 31 R CB 0.156 30.371 30.300 -0.142 0.000 1.246 31 R HN 0.524 nan 8.270 nan 0.000 0.553 32 A N 0.751 123.366 122.820 -0.342 0.000 1.865 32 A HA -0.131 4.189 4.320 -0.000 0.000 0.217 32 A C 1.973 179.306 177.584 -0.419 0.000 1.191 32 A CA 1.631 53.428 52.037 -0.400 0.000 0.623 32 A CB -0.176 18.526 19.000 -0.496 0.000 0.826 32 A HN 0.103 nan 8.150 nan 0.000 0.444 33 V N -2.080 117.524 119.914 -0.517 0.000 2.502 33 V HA 0.034 4.154 4.120 -0.000 0.000 0.234 33 V C 0.703 176.550 176.094 -0.411 0.000 1.072 33 V CA 0.317 62.243 62.300 -0.624 0.000 1.094 33 V CB -1.057 30.123 31.823 -1.072 0.000 0.761 33 V HN 0.487 nan 8.190 nan 0.000 0.489 34 Y N 1.539 121.771 120.300 -0.113 0.000 2.465 34 Y HA 0.323 4.873 4.550 -0.000 0.000 0.331 34 Y C 0.869 176.740 175.900 -0.048 0.000 1.102 34 Y CA 0.036 58.139 58.100 0.004 0.000 1.358 34 Y CB -0.439 38.032 38.460 0.019 0.000 1.213 34 Y HN 0.395 nan 8.280 nan 0.000 0.525 35 D N 0.732 121.195 120.400 0.105 0.000 2.800 35 D HA -0.158 4.482 4.640 -0.000 0.000 0.232 35 D C 0.418 176.692 176.300 -0.044 0.000 1.137 35 D CA 1.367 55.376 54.000 0.015 0.000 0.718 35 D CB -0.944 39.864 40.800 0.013 0.000 1.084 35 D HN 0.884 nan 8.370 nan 0.000 0.432 36 G N -0.937 107.822 108.800 -0.067 0.000 3.226 36 G HA2 0.316 4.276 3.960 -0.000 0.000 0.175 36 G HA3 0.316 4.276 3.960 -0.000 0.000 0.175 36 G C 0.995 175.840 174.900 -0.090 0.000 1.509 36 G CA 0.106 45.136 45.100 -0.118 0.000 1.046 36 G HN 0.442 nan 8.290 nan 0.000 0.768 37 L N -1.126 119.996 121.223 -0.168 0.000 2.156 37 L HA 0.396 4.736 4.340 -0.000 0.000 0.208 37 L C 1.057 177.954 176.870 0.046 0.000 1.095 37 L CA 0.943 55.695 54.840 -0.148 0.000 0.770 37 L CB -0.665 40.990 42.059 -0.674 0.000 0.914 37 L HN 0.212 nan 8.230 nan 0.000 0.439 38 Y N 1.956 122.182 120.300 -0.124 0.000 2.417 38 Y HA 0.540 5.090 4.550 -0.000 0.000 0.336 38 Y C -0.678 175.226 175.900 0.007 0.000 0.961 38 Y CA -0.823 57.277 58.100 0.001 0.000 1.215 38 Y CB 0.551 38.968 38.460 -0.073 0.000 1.120 38 Y HN 0.274 nan 8.280 nan 0.000 0.499 39 Q N 8.644 128.250 119.800 -0.322 0.000 3.429 39 Q HA 0.262 4.601 4.340 -0.000 0.000 0.237 39 Q C -2.704 173.080 176.000 -0.361 0.000 0.932 39 Q CA -2.187 53.442 55.803 -0.290 0.000 0.731 39 Q CB 1.404 30.075 28.738 -0.111 0.000 1.383 39 Q HN 0.500 nan 8.270 nan 0.000 0.446 40 P HA -0.047 nan 4.420 nan 0.000 0.266 40 P C 0.912 178.093 177.300 -0.198 0.000 1.195 40 P CA 1.163 64.032 63.100 -0.386 0.000 0.768 40 P CB 0.984 32.456 31.700 -0.381 0.000 0.838 41 G N 1.463 110.181 108.800 -0.136 0.000 2.205 41 G HA2 -0.247 3.712 3.960 -0.000 0.000 0.261 41 G HA3 -0.247 3.712 3.960 -0.000 0.000 0.261 41 G C 0.488 175.349 174.900 -0.066 0.000 0.980 41 G CA -0.082 44.968 45.100 -0.083 0.000 0.632 41 G HN 0.733 nan 8.290 nan 0.000 0.533 42 N N 0.871 119.525 118.700 -0.076 0.000 2.525 42 N HA 0.351 5.091 4.740 -0.000 0.000 0.271 42 N C 1.819 177.309 175.510 -0.034 0.000 1.194 42 N CA 0.562 53.582 53.050 -0.050 0.000 0.964 42 N CB 1.100 39.556 38.487 -0.051 0.000 1.126 42 N HN 0.246 nan 8.380 nan 0.000 0.452 43 S N 2.967 118.655 115.700 -0.021 0.000 2.400 43 S HA -0.117 4.353 4.470 -0.000 0.000 0.232 43 S C 1.185 175.783 174.600 -0.005 0.000 1.025 43 S CA 1.021 59.214 58.200 -0.012 0.000 0.993 43 S CB 0.025 63.221 63.200 -0.008 0.000 0.808 43 S HN 0.617 nan 8.310 nan 0.000 0.478 44 K N 1.552 121.951 120.400 -0.002 0.000 2.426 44 K HA 0.276 4.596 4.320 -0.000 0.000 0.193 44 K C 0.308 176.922 176.600 0.023 0.000 1.028 44 K CA 0.121 56.415 56.287 0.012 0.000 1.047 44 K CB -0.018 32.492 32.500 0.016 0.000 0.821 44 K HN 0.281 nan 8.250 nan 0.000 0.513 45 S N 1.759 117.464 115.700 0.008 0.000 2.610 45 S HA 0.099 4.569 4.470 -0.000 0.000 0.273 45 S C -0.188 174.417 174.600 0.009 0.000 1.274 45 S CA -0.651 57.558 58.200 0.015 0.000 1.023 45 S CB 0.937 64.114 63.200 -0.038 0.000 0.962 45 S HN 0.326 nan 8.310 nan 0.000 0.523 46 D N 1.468 121.881 120.400 0.022 0.000 7.496 46 D HA -0.133 4.507 4.640 -0.000 0.000 0.252 46 D C 0.637 176.926 176.300 -0.018 0.000 2.088 46 D CA 0.461 54.483 54.000 0.037 0.000 1.915 46 D CB 0.152 41.021 40.800 0.114 0.000 0.793 46 D HN 0.857 nan 8.370 nan 0.000 0.499 47 E N 2.238 122.431 120.200 -0.011 0.000 2.502 47 E HA -0.094 4.256 4.350 -0.000 0.000 0.194 47 E C 0.398 176.955 176.600 -0.071 0.000 1.062 47 E CA 0.261 56.642 56.400 -0.033 0.000 0.867 47 E CB 0.236 29.932 29.700 -0.006 0.000 0.888 47 E HN 0.266 nan 8.360 nan 0.000 0.510 48 D N 0.472 120.795 120.400 -0.129 0.000 2.350 48 D HA 0.090 4.730 4.640 -0.000 0.000 0.213 48 D C 1.220 177.220 176.300 -0.501 0.000 1.031 48 D CA 1.019 54.841 54.000 -0.296 0.000 0.861 48 D CB 0.842 41.419 40.800 -0.372 0.000 0.926 48 D HN 0.438 nan 8.370 nan 0.000 0.520 49 G N 0.156 108.728 108.800 -0.381 0.000 2.176 49 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.232 49 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.232 49 G C 0.019 174.743 174.900 -0.293 0.000 0.986 49 G CA -0.486 44.371 45.100 -0.405 0.000 0.643 49 G HN 0.154 nan 8.290 nan 0.000 0.522 50 F N 1.994 121.998 119.950 0.089 0.000 2.412 50 F HA 0.571 5.098 4.527 -0.000 0.000 0.348 50 F C 1.272 177.136 175.800 0.105 0.000 1.102 50 F CA -1.141 56.956 58.000 0.163 0.000 1.196 50 F CB 0.610 39.809 39.000 0.332 0.000 1.144 50 F HN -0.140 nan 8.300 nan 0.000 0.541 51 R N 3.566 124.245 120.500 0.297 0.000 2.343 51 R HA 0.052 4.392 4.340 -0.000 0.000 0.326 51 R C 1.097 177.497 176.300 0.168 0.000 1.055 51 R CA 0.012 56.212 56.100 0.167 0.000 0.961 51 R CB 0.325 30.692 30.300 0.111 0.000 0.978 51 R HN 0.771 nan 8.270 nan 0.000 0.443 52 K N 1.574 122.043 120.400 0.114 0.000 2.057 52 K HA -0.187 4.133 4.320 -0.000 0.000 0.207 52 K C 1.199 177.831 176.600 0.052 0.000 1.049 52 K CA 2.012 58.346 56.287 0.079 0.000 0.931 52 K CB 0.151 32.684 32.500 0.055 0.000 0.714 52 K HN 0.558 nan 8.250 nan 0.000 0.440 53 D N 0.808 121.237 120.400 0.049 0.000 2.117 53 D HA -0.132 4.508 4.640 -0.000 0.000 0.198 53 D C 1.951 178.275 176.300 0.040 0.000 0.982 53 D CA 0.834 54.855 54.000 0.035 0.000 0.828 53 D CB -0.788 40.030 40.800 0.030 0.000 0.967 53 D HN -0.058 nan 8.370 nan 0.000 0.464 54 V N 1.238 121.190 119.914 0.064 0.000 2.252 54 V HA -0.278 3.841 4.120 -0.000 0.000 0.249 54 V C 2.762 178.904 176.094 0.079 0.000 1.056 54 V CA 1.657 64.010 62.300 0.089 0.000 1.022 54 V CB -0.588 31.321 31.823 0.144 0.000 0.641 54 V HN 0.192 nan 8.190 nan 0.000 0.445 55 I N -0.217 120.389 120.570 0.061 0.000 2.113 55 I HA -0.292 3.878 4.170 -0.000 0.000 0.242 55 I C 2.658 178.718 176.117 -0.096 0.000 1.064 55 I CA 1.693 62.935 61.300 -0.097 0.000 1.320 55 I CB -0.492 37.444 38.000 -0.107 0.000 1.028 55 I HN 0.353 nan 8.210 nan 0.000 0.406 56 E N 0.522 120.704 120.200 -0.030 0.000 2.118 56 E HA -0.185 4.164 4.350 -0.000 0.000 0.195 56 E C 2.277 178.893 176.600 0.026 0.000 0.992 56 E CA 1.225 57.619 56.400 -0.010 0.000 0.804 56 E CB -0.364 29.340 29.700 0.008 0.000 0.741 56 E HN 0.527 nan 8.360 nan 0.000 0.458 57 L N 0.090 121.344 121.223 0.051 0.000 2.156 57 L HA -0.106 4.234 4.340 -0.000 0.000 0.208 57 L C 2.423 179.391 176.870 0.163 0.000 1.095 57 L CA 0.425 55.350 54.840 0.141 0.000 0.770 57 L CB -0.224 41.903 42.059 0.113 0.000 0.914 57 L HN -0.032 nan 8.230 nan 0.000 0.439 58 V N -0.363 119.572 119.914 0.034 0.000 2.358 58 V HA -0.259 3.861 4.120 -0.000 0.000 0.246 58 V C 2.427 178.482 176.094 -0.065 0.000 1.047 58 V CA 1.593 63.864 62.300 -0.047 0.000 1.035 58 V CB -0.534 31.194 31.823 -0.159 0.000 0.658 58 V HN 0.377 nan 8.190 nan 0.000 0.452 59 K N -0.190 120.161 120.400 -0.082 0.000 2.147 59 K HA -0.239 4.081 4.320 -0.000 0.000 0.205 59 K C 2.221 178.821 176.600 -0.001 0.000 1.049 59 K CA 1.632 57.878 56.287 -0.068 0.000 0.936 59 K CB -0.103 32.349 32.500 -0.079 0.000 0.722 59 K HN 0.565 nan 8.250 nan 0.000 0.446 60 E N 0.847 121.089 120.200 0.070 0.000 2.106 60 E HA -0.132 4.218 4.350 -0.000 0.000 0.192 60 E C 1.901 178.581 176.600 0.134 0.000 0.984 60 E CA 0.590 57.085 56.400 0.157 0.000 0.806 60 E CB 0.120 29.995 29.700 0.292 0.000 0.750 60 E HN 0.218 nan 8.360 nan 0.000 0.458 61 L N 0.916 122.159 121.223 0.033 0.000 2.156 61 L HA -0.114 4.225 4.340 -0.000 0.000 0.208 61 L C 0.157 177.028 176.870 0.001 0.000 1.095 61 L CA 0.755 55.549 54.840 -0.077 0.000 0.770 61 L CB -1.000 40.951 42.059 -0.181 0.000 0.914 61 L HN 0.307 nan 8.230 nan 0.000 0.439 62 N N -0.775 117.921 118.700 -0.007 0.000 2.473 62 N HA -0.187 4.552 4.740 -0.000 0.000 0.298 62 N C -1.160 174.376 175.510 0.043 0.000 1.390 62 N CA 0.099 53.140 53.050 -0.015 0.000 0.659 62 N CB -1.151 37.311 38.487 -0.041 0.000 0.968 62 N HN -0.053 nan 8.380 nan 0.000 0.508 63 V N 3.773 123.714 119.914 0.045 0.000 2.357 63 V HA 0.416 4.536 4.120 -0.000 0.000 0.284 63 V C -1.263 174.860 176.094 0.048 0.000 1.018 63 V CA -1.280 61.087 62.300 0.112 0.000 0.841 63 V CB 1.741 33.619 31.823 0.092 0.000 0.991 63 V HN 0.653 nan 8.190 nan 0.000 0.437 64 P HA 0.173 nan 4.420 nan 0.000 0.227 64 P C 0.118 177.433 177.300 0.025 0.000 1.161 64 P CA 0.801 63.923 63.100 0.036 0.000 0.788 64 P CB 0.676 32.409 31.700 0.055 0.000 0.822 65 I N -0.920 119.680 120.570 0.050 0.000 2.680 65 I HA 0.355 4.525 4.170 -0.000 0.000 0.291 65 I C -1.704 174.462 176.117 0.082 0.000 1.244 65 I CA -1.215 60.113 61.300 0.046 0.000 1.042 65 I CB 2.061 40.080 38.000 0.031 0.000 1.277 65 I HN -0.376 nan 8.210 nan 0.000 0.423 66 I N 6.890 127.526 120.570 0.110 0.000 2.447 66 I HA 0.445 4.615 4.170 -0.000 0.000 0.287 66 I C -0.029 176.229 176.117 0.235 0.000 1.023 66 I CA -0.626 60.794 61.300 0.200 0.000 1.083 66 I CB 1.782 39.957 38.000 0.292 0.000 1.245 66 I HN 0.516 nan 8.210 nan 0.000 0.434 67 R N 5.319 125.946 120.500 0.211 0.000 2.537 67 R HA 0.282 4.621 4.340 -0.000 0.000 0.280 67 R C -1.727 174.800 176.300 0.379 0.000 1.058 67 R CA 0.260 56.457 56.100 0.162 0.000 1.057 67 R CB 0.587 30.820 30.300 -0.111 0.000 0.973 67 R HN 0.619 nan 8.270 nan 0.000 0.438 68 Y N 5.311 125.660 120.300 0.082 0.000 2.565 68 Y HA 0.268 4.817 4.550 -0.000 0.000 0.330 68 Y C -2.420 173.467 175.900 -0.022 0.000 1.150 68 Y CA -1.776 56.305 58.100 -0.031 0.000 1.055 68 Y CB 2.389 40.683 38.460 -0.276 0.000 1.337 68 Y HN 0.507 nan 8.280 nan 0.000 0.457 69 P HA 0.386 nan 4.420 nan 0.000 0.266 69 P C -0.226 176.965 177.300 -0.181 0.000 1.381 69 P CA 0.581 63.027 63.100 -1.090 0.000 0.940 69 P CB 0.943 31.765 31.700 -1.464 0.000 1.435 70 G N -1.822 107.065 108.800 0.146 0.000 2.466 70 G HA2 0.517 4.476 3.960 -0.000 0.000 0.291 70 G HA3 0.517 4.476 3.960 -0.000 0.000 0.291 70 G C -0.684 174.396 174.900 0.299 0.000 1.460 70 G CA 0.020 45.359 45.100 0.399 0.000 0.791 70 G HN 0.266 nan 8.290 nan 0.000 0.505 71 G N -0.823 108.188 108.800 0.352 0.000 2.707 71 G HA2 -0.141 3.819 3.960 -0.000 0.000 0.686 71 G HA3 -0.141 3.819 3.960 -0.000 0.000 0.686 71 G C 0.624 175.776 174.900 0.421 0.000 1.315 71 G CA 0.358 45.802 45.100 0.574 0.000 0.832 71 G HN 1.068 nan 8.290 nan 0.000 0.573 72 N N -0.753 118.224 118.700 0.463 0.000 2.223 72 N HA -0.074 4.666 4.740 -0.000 0.000 0.185 72 N C 2.089 177.737 175.510 0.231 0.000 1.016 72 N CA 1.456 54.673 53.050 0.279 0.000 0.863 72 N CB -0.085 38.476 38.487 0.124 0.000 0.983 72 N HN 0.525 nan 8.380 nan 0.000 0.429 73 F N 1.597 121.682 119.950 0.225 0.000 2.120 73 F HA -0.202 4.325 4.527 -0.000 0.000 0.300 73 F C 2.124 177.969 175.800 0.074 0.000 1.095 73 F CA 0.986 59.082 58.000 0.160 0.000 1.249 73 F CB -0.483 38.619 39.000 0.171 0.000 0.995 73 F HN -0.157 nan 8.300 nan 0.000 0.480 74 V N -0.640 119.312 119.914 0.063 0.000 2.759 74 V HA -0.192 3.928 4.120 -0.000 0.000 0.256 74 V C 2.136 178.197 176.094 -0.056 0.000 1.080 74 V CA 2.153 64.435 62.300 -0.030 0.000 1.101 74 V CB -0.539 31.334 31.823 0.084 0.000 0.698 74 V HN 0.427 nan 8.190 nan 0.000 0.477 75 S N 0.647 116.324 115.700 -0.039 0.000 2.547 75 S HA -0.058 4.412 4.470 -0.000 0.000 0.235 75 S C 1.365 175.895 174.600 -0.116 0.000 0.980 75 S CA 1.302 59.472 58.200 -0.050 0.000 0.941 75 S CB -0.337 62.853 63.200 -0.016 0.000 0.763 75 S HN 0.738 nan 8.310 nan 0.000 0.532 76 N N -0.110 118.490 118.700 -0.166 0.000 2.390 76 N HA 0.131 4.871 4.740 -0.000 0.000 0.259 76 N C -1.096 174.268 175.510 -0.244 0.000 1.395 76 N CA -0.369 52.569 53.050 -0.185 0.000 0.852 76 N CB 0.246 38.717 38.487 -0.028 0.000 1.371 76 N HN 0.227 nan 8.380 nan 0.000 0.491 77 Y N 0.578 120.574 120.300 -0.507 0.000 2.308 77 Y HA 0.496 5.046 4.550 -0.000 0.000 0.329 77 Y C -1.194 174.446 175.900 -0.434 0.000 1.111 77 Y CA -0.886 56.936 58.100 -0.463 0.000 1.179 77 Y CB 0.336 38.453 38.460 -0.571 0.000 1.201 77 Y HN -0.069 nan 8.280 nan 0.000 0.483 78 F N 7.214 126.753 119.950 -0.684 0.000 2.311 78 F HA 0.158 4.685 4.527 -0.000 0.000 0.371 78 F C 0.633 175.865 175.800 -0.948 0.000 1.083 78 F CA -1.148 56.485 58.000 -0.612 0.000 1.113 78 F CB 0.387 39.154 39.000 -0.388 0.000 1.349 78 F HN 0.799 nan 8.300 nan 0.000 0.470 79 W N 1.950 122.810 121.300 -0.733 0.000 2.341 79 W HA -0.206 4.454 4.660 -0.000 0.000 0.283 79 W C 0.612 176.978 176.519 -0.255 0.000 1.215 79 W CA 1.503 58.511 57.345 -0.562 0.000 1.211 79 W CB -0.674 28.697 29.460 -0.147 0.000 1.131 79 W HN 0.442 nan 8.180 nan 0.000 0.552 80 E N 1.123 120.719 120.200 -1.006 0.000 2.209 80 E HA -0.190 4.159 4.350 -0.000 0.000 0.196 80 E C 1.557 177.962 176.600 -0.326 0.000 0.993 80 E CA 1.992 57.909 56.400 -0.806 0.000 0.819 80 E CB -0.507 28.731 29.700 -0.771 0.000 0.745 80 E HN 0.171 nan 8.360 nan 0.000 0.477 81 D N -0.580 119.666 120.400 -0.256 0.000 2.310 81 D HA -0.067 4.573 4.640 -0.000 0.000 0.212 81 D C 1.690 178.008 176.300 0.030 0.000 0.965 81 D CA 1.203 55.144 54.000 -0.097 0.000 0.879 81 D CB -0.271 40.493 40.800 -0.060 0.000 0.921 81 D HN 0.315 nan 8.370 nan 0.000 0.510 82 G N 0.197 109.053 108.800 0.094 0.000 3.088 82 G HA2 0.231 4.191 3.960 -0.000 0.000 0.217 82 G HA3 0.231 4.191 3.960 -0.000 0.000 0.217 82 G C 0.664 175.666 174.900 0.170 0.000 1.159 82 G CA 0.184 45.418 45.100 0.223 0.000 0.760 82 G HN 0.240 nan 8.290 nan 0.000 0.550 83 V N -3.405 116.553 119.914 0.073 0.000 3.019 83 V HA 0.984 5.103 4.120 -0.000 0.000 0.317 83 V C 0.612 176.568 176.094 -0.230 0.000 1.094 83 V CA -0.406 61.899 62.300 0.008 0.000 1.000 83 V CB 0.974 32.872 31.823 0.126 0.000 1.060 83 V HN 1.282 nan 8.190 nan 0.000 0.443 84 G N 1.672 110.130 108.800 -0.570 0.000 2.728 84 G HA2 -0.063 3.897 3.960 -0.000 0.000 0.294 84 G HA3 -0.063 3.897 3.960 -0.000 0.000 0.294 84 G C -2.896 171.917 174.900 -0.146 0.000 1.342 84 G CA -0.448 44.306 45.100 -0.576 0.000 0.866 84 G HN 0.989 nan 8.290 nan 0.000 0.534 85 P HA 0.135 nan 4.420 nan 0.000 0.255 85 P C 1.231 178.537 177.300 0.010 0.000 1.161 85 P CA 0.489 63.596 63.100 0.012 0.000 0.768 85 P CB 0.850 32.566 31.700 0.027 0.000 0.746 86 V N 4.099 124.032 119.914 0.031 0.000 2.469 86 V HA -0.288 3.831 4.120 -0.000 0.000 0.251 86 V C 1.574 177.689 176.094 0.035 0.000 1.064 86 V CA 2.189 64.515 62.300 0.043 0.000 1.066 86 V CB -0.731 31.132 31.823 0.066 0.000 0.667 86 V HN 0.530 nan 8.190 nan 0.000 0.461 87 E N -0.235 119.982 120.200 0.028 0.000 2.338 87 E HA -0.147 4.202 4.350 -0.000 0.000 0.197 87 E C 1.362 177.968 176.600 0.010 0.000 1.007 87 E CA 1.276 57.688 56.400 0.021 0.000 0.849 87 E CB -0.189 29.523 29.700 0.019 0.000 0.774 87 E HN 0.610 nan 8.360 nan 0.000 0.506 88 D N 0.056 120.460 120.400 0.006 0.000 2.379 88 D HA 0.056 4.696 4.640 -0.000 0.000 0.208 88 D C -0.032 176.261 176.300 -0.013 0.000 1.065 88 D CA 0.023 54.020 54.000 -0.005 0.000 0.848 88 D CB 0.257 41.053 40.800 -0.006 0.000 0.949 88 D HN 0.038 nan 8.370 nan 0.000 0.509 89 R N 2.193 122.692 120.500 -0.000 0.000 2.347 89 R HA 0.250 4.590 4.340 -0.000 0.000 0.304 89 R C -2.169 174.133 176.300 0.003 0.000 1.072 89 R CA -1.062 55.041 56.100 0.004 0.000 0.980 89 R CB 0.436 30.758 30.300 0.036 0.000 0.986 89 R HN 0.026 nan 8.270 nan 0.000 0.448 90 P HA 0.174 nan 4.420 nan 0.000 0.282 90 P C -0.848 176.454 177.300 0.004 0.000 1.249 90 P CA -0.579 62.508 63.100 -0.022 0.000 0.806 90 P CB 0.884 32.550 31.700 -0.057 0.000 0.984 91 R N 2.051 122.548 120.500 -0.006 0.000 2.491 91 R HA 0.377 4.717 4.340 -0.000 0.000 0.283 91 R C 0.470 176.769 176.300 -0.001 0.000 1.072 91 R CA -0.281 55.823 56.100 0.007 0.000 1.048 91 R CB 0.431 30.723 30.300 -0.014 0.000 0.983 91 R HN 0.361 nan 8.270 nan 0.000 0.450 92 R N 2.297 122.826 120.500 0.049 0.000 2.807 92 R HA 0.379 4.719 4.340 -0.000 0.000 0.276 92 R C -0.536 175.804 176.300 0.066 0.000 0.979 92 R CA -1.059 55.067 56.100 0.043 0.000 0.928 92 R CB 1.215 31.576 30.300 0.101 0.000 1.191 92 R HN 0.486 nan 8.270 nan 0.000 0.471 93 L N 1.929 123.145 121.223 -0.011 0.000 2.361 93 L HA 0.142 4.482 4.340 -0.000 0.000 0.278 93 L C 0.345 177.365 176.870 0.249 0.000 1.113 93 L CA -0.377 54.465 54.840 0.004 0.000 0.849 93 L CB 0.270 42.147 42.059 -0.304 0.000 1.155 93 L HN 0.491 nan 8.230 nan 0.000 0.452 94 D N 3.823 124.490 120.400 0.446 0.000 2.380 94 D HA 0.185 4.825 4.640 -0.000 0.000 0.230 94 D C 0.969 177.525 176.300 0.427 0.000 1.154 94 D CA -0.348 53.909 54.000 0.428 0.000 0.859 94 D CB 0.919 42.067 40.800 0.579 0.000 1.045 94 D HN 0.387 nan 8.370 nan 0.000 0.495 95 L N 3.215 124.612 121.223 0.290 0.000 2.156 95 L HA -0.040 4.300 4.340 -0.000 0.000 0.208 95 L C 2.335 179.230 176.870 0.041 0.000 1.095 95 L CA 0.935 55.913 54.840 0.230 0.000 0.770 95 L CB -0.683 41.477 42.059 0.169 0.000 0.914 95 L HN 0.509 nan 8.230 nan 0.000 0.439 96 A N -0.116 122.676 122.820 -0.046 0.000 1.908 96 A HA -0.212 4.108 4.320 -0.000 0.000 0.218 96 A C 1.424 178.624 177.584 -0.641 0.000 1.181 96 A CA 1.680 53.479 52.037 -0.398 0.000 0.627 96 A CB -0.659 18.052 19.000 -0.482 0.000 0.818 96 A HN 0.638 nan 8.150 nan 0.000 0.445 97 W N -2.141 119.229 121.300 0.116 0.000 2.599 97 W HA 0.499 5.159 4.660 -0.000 0.000 0.396 97 W C 0.346 176.839 176.519 -0.042 0.000 0.944 97 W CA -0.649 56.719 57.345 0.040 0.000 2.042 97 W CB 0.548 30.040 29.460 0.053 0.000 1.184 97 W HN 0.023 nan 8.180 nan 0.000 0.604 98 K N 0.905 121.297 120.400 -0.014 0.000 3.156 98 K HA -0.206 4.114 4.320 -0.000 0.000 0.266 98 K C -0.627 175.820 176.600 -0.256 0.000 0.966 98 K CA 0.694 56.691 56.287 -0.483 0.000 0.719 98 K CB -1.834 30.322 32.500 -0.574 0.000 1.333 98 K HN 0.073 nan 8.250 nan 0.000 0.468 99 S N -0.167 115.680 115.700 0.246 0.000 2.568 99 S HA 0.611 5.081 4.470 -0.000 0.000 0.293 99 S C -0.091 174.837 174.600 0.547 0.000 1.089 99 S CA -1.055 57.367 58.200 0.369 0.000 0.945 99 S CB 1.684 65.056 63.200 0.287 0.000 1.077 99 S HN 0.160 nan 8.310 nan 0.000 0.485 100 I N 2.518 123.325 120.570 0.395 0.000 2.352 100 I HA 0.280 4.450 4.170 -0.000 0.000 0.290 100 I C 0.313 176.551 176.117 0.202 0.000 1.036 100 I CA -0.212 61.243 61.300 0.259 0.000 1.336 100 I CB 0.716 38.804 38.000 0.147 0.000 1.407 100 I HN 0.637 nan 8.210 nan 0.000 0.497 101 E N 10.422 130.765 120.200 0.237 0.000 2.081 101 E HA 0.301 4.650 4.350 -0.000 0.000 0.281 101 E C -1.926 174.763 176.600 0.149 0.000 0.986 101 E CA -2.110 54.447 56.400 0.263 0.000 0.796 101 E CB 1.227 31.205 29.700 0.463 0.000 1.085 101 E HN 0.258 nan 8.360 nan 0.000 0.398 102 P HA -0.042 nan 4.420 nan 0.000 0.229 102 P C -0.543 176.810 177.300 0.088 0.000 1.160 102 P CA 0.358 63.439 63.100 -0.032 0.000 0.777 102 P CB 0.197 31.761 31.700 -0.227 0.000 0.814 103 N N -0.512 118.332 118.700 0.239 0.000 2.741 103 N HA -0.178 4.562 4.740 -0.000 0.000 0.251 103 N C 0.609 176.275 175.510 0.261 0.000 1.112 103 N CA 0.809 54.043 53.050 0.305 0.000 0.750 103 N CB -1.883 36.744 38.487 0.234 0.000 1.119 103 N HN 0.440 nan 8.380 nan 0.000 0.561 104 Q N -0.303 119.662 119.800 0.275 0.000 2.488 104 Q HA 0.103 4.443 4.340 -0.000 0.000 0.211 104 Q C 0.208 176.242 176.000 0.057 0.000 0.967 104 Q CA 0.711 56.627 55.803 0.189 0.000 0.926 104 Q CB 0.511 29.394 28.738 0.241 0.000 0.992 104 Q HN 0.179 nan 8.270 nan 0.000 0.506 105 V N -0.115 119.881 119.914 0.138 0.000 2.577 105 V HA 0.776 4.896 4.120 -0.000 0.000 0.303 105 V C -0.098 176.161 176.094 0.275 0.000 1.042 105 V CA -0.736 61.574 62.300 0.017 0.000 0.872 105 V CB 1.784 33.422 31.823 -0.308 0.000 0.998 105 V HN 0.132 nan 8.190 nan 0.000 0.423 106 G N 3.668 112.639 108.800 0.286 0.000 2.716 106 G HA2 0.525 4.485 3.960 -0.000 0.000 0.299 106 G HA3 0.525 4.485 3.960 -0.000 0.000 0.299 106 G C -0.260 174.867 174.900 0.378 0.000 1.450 106 G CA -0.287 45.057 45.100 0.405 0.000 0.968 106 G HN 0.510 nan 8.290 nan 0.000 0.566 107 I N 0.561 121.391 120.570 0.432 0.000 4.838 107 I HA -0.443 3.727 4.170 -0.000 0.000 0.042 107 I C 2.146 178.385 176.117 0.203 0.000 0.633 107 I CA 2.400 63.890 61.300 0.316 0.000 0.444 107 I CB -1.659 36.565 38.000 0.373 0.000 0.464 107 I HN 0.610 nan 8.210 nan 0.000 0.153 108 N N 1.217 120.107 118.700 0.316 0.000 2.043 108 N HA -0.173 4.567 4.740 -0.000 0.000 0.193 108 N C 1.666 177.334 175.510 0.264 0.000 1.037 108 N CA 2.249 55.499 53.050 0.334 0.000 0.851 108 N CB -0.332 38.399 38.487 0.406 0.000 1.027 108 N HN 0.590 nan 8.380 nan 0.000 0.422 109 E N 0.133 120.489 120.200 0.260 0.000 2.077 109 E HA -0.075 4.275 4.350 -0.000 0.000 0.193 109 E C 1.643 178.399 176.600 0.260 0.000 0.989 109 E CA 0.590 57.170 56.400 0.301 0.000 0.800 109 E CB -0.379 29.444 29.700 0.204 0.000 0.746 109 E HN 0.312 nan 8.360 nan 0.000 0.452 110 F N 0.495 120.410 119.950 -0.058 0.000 2.259 110 F HA 0.019 4.546 4.527 -0.000 0.000 0.298 110 F C 2.019 177.703 175.800 -0.194 0.000 1.088 110 F CA 0.947 58.778 58.000 -0.281 0.000 1.358 110 F CB -0.248 38.299 39.000 -0.756 0.000 1.040 110 F HN 0.017 nan 8.300 nan 0.000 0.505 111 A N 1.008 123.780 122.820 -0.080 0.000 1.902 111 A HA -0.234 4.086 4.320 -0.000 0.000 0.217 111 A C 2.185 179.714 177.584 -0.092 0.000 1.181 111 A CA 2.003 53.958 52.037 -0.137 0.000 0.623 111 A CB -0.710 18.154 19.000 -0.226 0.000 0.818 111 A HN 0.552 nan 8.150 nan 0.000 0.443 112 K N -2.339 118.064 120.400 0.005 0.000 2.217 112 K HA -0.146 4.174 4.320 -0.000 0.000 0.202 112 K C 1.839 178.339 176.600 -0.168 0.000 1.051 112 K CA 1.095 57.395 56.287 0.021 0.000 0.952 112 K CB -0.387 32.231 32.500 0.196 0.000 0.736 112 K HN 0.532 nan 8.250 nan 0.000 0.453 113 W N 2.060 122.968 121.300 -0.653 0.000 2.358 113 W HA -0.196 4.464 4.660 -0.000 0.000 0.303 113 W C 1.755 177.866 176.519 -0.680 0.000 1.208 113 W CA 1.219 57.963 57.345 -1.001 0.000 1.274 113 W CB -0.400 28.263 29.460 -1.328 0.000 1.138 113 W HN 0.115 nan 8.180 nan 0.000 0.515 114 C N 0.777 119.743 119.300 -0.556 0.000 2.425 114 C HA -0.161 4.299 4.460 -0.000 0.000 0.277 114 C C 2.723 177.483 174.990 -0.384 0.000 1.280 114 C CA 0.958 59.667 59.018 -0.515 0.000 1.744 114 C CB -1.130 26.387 27.740 -0.371 0.000 1.989 114 C HN 0.238 nan 8.230 nan 0.000 0.491 115 K N 1.418 121.656 120.400 -0.270 0.000 2.020 115 K HA -0.179 4.141 4.320 -0.000 0.000 0.212 115 K C 1.840 178.299 176.600 -0.236 0.000 1.050 115 K CA 1.555 57.733 56.287 -0.181 0.000 0.929 115 K CB -0.451 31.991 32.500 -0.096 0.000 0.714 115 K HN 0.576 nan 8.250 nan 0.000 0.443 116 K N 0.923 121.130 120.400 -0.321 0.000 2.439 116 K HA -0.048 4.272 4.320 -0.000 0.000 0.197 116 K C 1.515 177.857 176.600 -0.430 0.000 1.041 116 K CA 0.871 56.962 56.287 -0.326 0.000 0.970 116 K CB 0.147 32.459 32.500 -0.313 0.000 0.773 116 K HN 0.100 nan 8.250 nan 0.000 0.479 117 V N -1.886 117.681 119.914 -0.578 0.000 3.121 117 V HA 0.201 4.321 4.120 -0.000 0.000 0.344 117 V C -0.562 175.325 176.094 -0.345 0.000 1.390 117 V CA -0.727 61.240 62.300 -0.555 0.000 1.177 117 V CB -0.614 30.652 31.823 -0.928 0.000 1.163 117 V HN 0.201 nan 8.190 nan 0.000 0.484 118 N N 1.058 119.605 118.700 -0.255 0.000 2.716 118 N HA -0.181 4.558 4.740 -0.000 0.000 0.250 118 N C 0.072 175.497 175.510 -0.140 0.000 1.033 118 N CA 1.407 54.361 53.050 -0.161 0.000 0.727 118 N CB -1.324 37.093 38.487 -0.117 0.000 0.950 118 N HN 1.187 nan 8.380 nan 0.000 0.541 119 A N -0.722 121.992 122.820 -0.176 0.000 2.479 119 A HA 0.775 5.095 4.320 -0.000 0.000 0.296 119 A C -0.255 177.266 177.584 -0.104 0.000 1.121 119 A CA -0.673 51.291 52.037 -0.123 0.000 0.743 119 A CB 1.920 20.840 19.000 -0.134 0.000 1.323 119 A HN 0.138 nan 8.150 nan 0.000 0.415 120 E N -0.308 119.862 120.200 -0.050 0.000 2.264 120 E HA 0.594 4.944 4.350 -0.000 0.000 0.260 120 E C -1.116 175.480 176.600 -0.007 0.000 0.961 120 E CA -0.684 55.696 56.400 -0.033 0.000 0.834 120 E CB 2.000 31.695 29.700 -0.009 0.000 1.230 120 E HN 0.548 nan 8.360 nan 0.000 0.412 121 I N 1.713 122.277 120.570 -0.011 0.000 2.353 121 I HA 0.222 4.392 4.170 -0.000 0.000 0.293 121 I C -0.166 175.921 176.117 -0.050 0.000 0.992 121 I CA -0.262 61.051 61.300 0.022 0.000 1.268 121 I CB 0.963 38.971 38.000 0.013 0.000 1.387 121 I HN 0.329 nan 8.210 nan 0.000 0.478 122 M N 7.588 127.183 119.600 -0.007 0.000 2.080 122 M HA 0.366 4.846 4.480 -0.000 0.000 0.350 122 M C -0.735 175.503 176.300 -0.103 0.000 1.143 122 M CA -0.707 54.547 55.300 -0.076 0.000 1.064 122 M CB 0.731 33.317 32.600 -0.023 0.000 1.429 122 M HN 0.532 nan 8.290 nan 0.000 0.418 123 M N 5.064 124.455 119.600 -0.348 0.000 2.146 123 M HA 0.569 5.049 4.480 -0.000 0.000 0.357 123 M C -0.844 175.395 176.300 -0.102 0.000 1.261 123 M CA 0.071 55.158 55.300 -0.355 0.000 1.106 123 M CB 1.055 33.080 32.600 -0.960 0.000 1.612 123 M HN 0.681 nan 8.290 nan 0.000 0.470 124 A N 4.961 127.794 122.820 0.022 0.000 2.312 124 A HA 0.733 5.053 4.320 -0.000 0.000 0.326 124 A C -0.878 176.812 177.584 0.176 0.000 1.172 124 A CA -0.684 51.423 52.037 0.117 0.000 0.821 124 A CB 0.616 19.662 19.000 0.077 0.000 1.166 124 A HN 1.032 nan 8.150 nan 0.000 0.493 125 V N 0.693 120.738 119.914 0.219 0.000 2.581 125 V HA 0.514 4.634 4.120 -0.000 0.000 0.303 125 V C 0.071 176.244 176.094 0.132 0.000 1.041 125 V CA -1.218 61.201 62.300 0.197 0.000 0.907 125 V CB 1.613 33.556 31.823 0.200 0.000 0.994 125 V HN 0.820 nan 8.190 nan 0.000 0.442 126 N N 3.381 122.135 118.700 0.089 0.000 2.416 126 N HA 0.211 4.951 4.740 -0.000 0.000 0.271 126 N C -0.041 175.474 175.510 0.009 0.000 1.245 126 N CA 0.075 53.130 53.050 0.008 0.000 0.940 126 N CB 0.324 38.739 38.487 -0.120 0.000 1.175 126 N HN 0.866 nan 8.380 nan 0.000 0.483 127 L N 2.496 123.744 121.223 0.043 0.000 3.014 127 L HA 0.322 4.662 4.340 -0.000 0.000 0.263 127 L C 1.649 178.545 176.870 0.044 0.000 1.207 127 L CA -0.284 54.594 54.840 0.063 0.000 1.017 127 L CB 0.506 42.657 42.059 0.153 0.000 1.360 127 L HN 0.576 nan 8.230 nan 0.000 0.560 128 G N 0.416 109.213 108.800 -0.004 0.000 2.557 128 G HA2 -0.133 3.827 3.960 -0.000 0.000 0.213 128 G HA3 -0.133 3.827 3.960 -0.000 0.000 0.213 128 G C 1.332 176.214 174.900 -0.029 0.000 1.221 128 G CA 1.199 46.289 45.100 -0.017 0.000 0.832 128 G HN 0.320 nan 8.290 nan 0.000 0.556 129 T N -1.689 112.820 114.554 -0.075 0.000 3.105 129 T HA 0.482 4.832 4.350 -0.000 0.000 0.253 129 T C 0.861 175.520 174.700 -0.069 0.000 1.047 129 T CA -0.371 61.697 62.100 -0.054 0.000 0.944 129 T CB 0.372 69.224 68.868 -0.026 0.000 1.016 129 T HN 0.167 nan 8.240 nan 0.000 0.544 130 R N -0.776 119.666 120.500 -0.097 0.000 2.922 130 R HA 0.785 5.125 4.340 -0.000 0.000 0.256 130 R C 0.003 176.288 176.300 -0.025 0.000 1.138 130 R CA -0.979 55.081 56.100 -0.066 0.000 0.995 130 R CB 1.704 31.925 30.300 -0.131 0.000 1.226 130 R HN 0.229 nan 8.270 nan 0.000 0.481 131 G N -0.399 108.395 108.800 -0.010 0.000 3.085 131 G HA2 0.320 4.280 3.960 -0.000 0.000 0.264 131 G HA3 0.320 4.280 3.960 -0.000 0.000 0.264 131 G C 0.642 175.528 174.900 -0.023 0.000 1.206 131 G CA -0.659 44.432 45.100 -0.015 0.000 0.809 131 G HN 0.430 nan 8.290 nan 0.000 0.592 132 I N 1.147 121.691 120.570 -0.043 0.000 2.099 132 I HA -0.216 3.954 4.170 -0.000 0.000 0.239 132 I C 3.198 179.279 176.117 -0.060 0.000 1.066 132 I CA 2.284 63.545 61.300 -0.064 0.000 1.324 132 I CB -0.340 37.614 38.000 -0.077 0.000 1.037 132 I HN 0.496 nan 8.210 nan 0.000 0.401 133 S N 0.368 116.045 115.700 -0.038 0.000 2.383 133 S HA -0.226 4.244 4.470 -0.000 0.000 0.229 133 S C 1.595 176.179 174.600 -0.026 0.000 1.030 133 S CA 1.603 59.785 58.200 -0.030 0.000 1.002 133 S CB -0.626 62.573 63.200 -0.001 0.000 0.829 133 S HN 0.435 nan 8.310 nan 0.000 0.467 134 D N 2.163 122.573 120.400 0.017 0.000 2.183 134 D HA 0.110 4.750 4.640 -0.000 0.000 0.203 134 D C 2.254 178.572 176.300 0.029 0.000 0.969 134 D CA 1.169 55.226 54.000 0.095 0.000 0.842 134 D CB -0.402 40.482 40.800 0.139 0.000 0.957 134 D HN 0.594 nan 8.370 nan 0.000 0.484 135 A N 0.751 123.548 122.820 -0.039 0.000 1.930 135 A HA -0.145 4.174 4.320 -0.000 0.000 0.217 135 A C 2.531 179.985 177.584 -0.216 0.000 1.175 135 A CA 0.901 52.874 52.037 -0.108 0.000 0.627 135 A CB -0.831 18.114 19.000 -0.090 0.000 0.815 135 A HN 0.294 nan 8.150 nan 0.000 0.443 136 C N -0.044 119.147 119.300 -0.181 0.000 2.432 136 C HA -0.097 4.363 4.460 -0.000 0.000 0.277 136 C C 2.691 177.535 174.990 -0.243 0.000 1.249 136 C CA 1.086 59.982 59.018 -0.204 0.000 1.725 136 C CB -1.406 26.250 27.740 -0.141 0.000 2.028 136 C HN 0.648 nan 8.230 nan 0.000 0.477 137 N N 1.185 119.715 118.700 -0.283 0.000 2.069 137 N HA -0.124 4.615 4.740 -0.000 0.000 0.191 137 N C 1.534 176.748 175.510 -0.494 0.000 1.031 137 N CA 1.100 53.825 53.050 -0.540 0.000 0.852 137 N CB -0.815 37.255 38.487 -0.695 0.000 1.018 137 N HN 0.375 nan 8.380 nan 0.000 0.423 138 L N 1.090 121.916 121.223 -0.662 0.000 2.042 138 L HA -0.066 4.274 4.340 -0.000 0.000 0.210 138 L C 2.084 178.800 176.870 -0.257 0.000 1.076 138 L CA 1.227 55.483 54.840 -0.974 0.000 0.749 138 L CB -0.876 40.601 42.059 -0.970 0.000 0.893 138 L HN 0.119 nan 8.230 nan 0.000 0.432 139 L N -0.219 120.836 121.223 -0.280 0.000 2.017 139 L HA -0.204 4.136 4.340 -0.000 0.000 0.208 139 L C 2.497 179.356 176.870 -0.019 0.000 1.073 139 L CA 2.177 56.848 54.840 -0.283 0.000 0.745 139 L CB -0.936 40.769 42.059 -0.590 0.000 0.894 139 L HN 0.546 nan 8.230 nan 0.000 0.432 140 E N -1.632 118.547 120.200 -0.034 0.000 2.085 140 E HA -0.329 4.021 4.350 -0.000 0.000 0.194 140 E C 2.251 178.975 176.600 0.208 0.000 0.994 140 E CA 1.683 58.135 56.400 0.087 0.000 0.801 140 E CB -0.443 29.294 29.700 0.063 0.000 0.743 140 E HN 0.640 nan 8.360 nan 0.000 0.453 141 Y N 0.402 120.752 120.300 0.082 0.000 2.181 141 Y HA -0.268 4.282 4.550 -0.000 0.000 0.288 141 Y C 2.288 178.311 175.900 0.205 0.000 1.146 141 Y CA 1.905 60.108 58.100 0.173 0.000 1.164 141 Y CB -0.340 38.172 38.460 0.085 0.000 0.982 141 Y HN 0.198 nan 8.280 nan 0.000 0.515 142 C N -0.035 119.520 119.300 0.425 0.000 2.485 142 C HA 0.005 4.465 4.460 -0.000 0.000 0.278 142 C C 2.065 177.251 174.990 0.326 0.000 1.356 142 C CA 1.177 60.484 59.018 0.482 0.000 1.747 142 C CB -0.917 27.168 27.740 0.576 0.000 2.001 142 C HN 0.595 nan 8.230 nan 0.000 0.501 143 N N -1.782 117.082 118.700 0.274 0.000 2.445 143 N HA 0.043 4.783 4.740 -0.000 0.000 0.204 143 N C 0.478 176.070 175.510 0.136 0.000 1.098 143 N CA 0.167 53.344 53.050 0.212 0.000 0.859 143 N CB -0.347 38.286 38.487 0.243 0.000 1.249 143 N HN 0.516 nan 8.380 nan 0.000 0.462 144 H N 2.125 121.232 119.070 0.061 0.000 2.722 144 H HA 0.092 4.647 4.556 -0.000 0.000 0.328 144 H C -1.605 173.731 175.328 0.013 0.000 1.067 144 H CA -1.192 54.877 56.048 0.035 0.000 1.447 144 H CB 1.657 31.441 29.762 0.037 0.000 1.469 144 H HN -0.016 nan 8.280 nan 0.000 0.544 145 P HA -0.028 nan 4.420 nan 0.000 0.214 145 P C 0.106 177.369 177.300 -0.062 0.000 1.163 145 P CA 1.450 64.438 63.100 -0.186 0.000 0.889 145 P CB 0.348 31.904 31.700 -0.239 0.000 0.790 146 G N -5.168 103.645 108.800 0.021 0.000 2.328 146 G HA2 0.419 4.379 3.960 -0.000 0.000 0.295 146 G HA3 0.419 4.379 3.960 -0.000 0.000 0.295 146 G C -0.167 174.825 174.900 0.154 0.000 1.413 146 G CA 0.202 45.355 45.100 0.088 0.000 0.817 146 G HN 0.351 nan 8.290 nan 0.000 0.546 147 G N -1.420 107.436 108.800 0.094 0.000 2.137 147 G HA2 0.264 4.223 3.960 -0.000 0.000 0.237 147 G HA3 0.264 4.223 3.960 -0.000 0.000 0.237 147 G C 0.438 175.381 174.900 0.071 0.000 1.002 147 G CA 1.276 46.423 45.100 0.078 0.000 0.702 147 G HN 2.387 nan 8.290 nan 0.000 0.515 148 S N -2.037 113.702 115.700 0.065 0.000 2.651 148 S HA 0.725 5.195 4.470 -0.000 0.000 0.279 148 S C 0.938 175.557 174.600 0.033 0.000 1.148 148 S CA 0.202 58.415 58.200 0.023 0.000 0.837 148 S CB 1.989 65.156 63.200 -0.055 0.000 1.138 148 S HN 0.339 nan 8.310 nan 0.000 0.478 149 K N -0.089 120.324 120.400 0.021 0.000 2.034 149 K HA -0.204 4.116 4.320 -0.000 0.000 0.214 149 K C 1.217 177.753 176.600 -0.108 0.000 1.051 149 K CA 2.240 58.482 56.287 -0.075 0.000 0.931 149 K CB -0.465 31.951 32.500 -0.140 0.000 0.715 149 K HN 0.746 nan 8.250 nan 0.000 0.446 150 Y N 0.165 120.545 120.300 0.134 0.000 2.448 150 Y HA -0.052 4.498 4.550 -0.000 0.000 0.289 150 Y C 2.708 178.690 175.900 0.137 0.000 1.114 150 Y CA 0.889 59.142 58.100 0.255 0.000 1.235 150 Y CB 0.068 38.748 38.460 0.367 0.000 1.045 150 Y HN 0.259 nan 8.280 nan 0.000 0.554 151 S N -0.320 115.501 115.700 0.201 0.000 2.355 151 S HA -0.187 4.282 4.470 -0.000 0.000 0.222 151 S C 1.561 176.148 174.600 -0.021 0.000 1.031 151 S CA 1.567 59.819 58.200 0.086 0.000 0.993 151 S CB -0.477 62.849 63.200 0.209 0.000 0.859 151 S HN 0.303 nan 8.310 nan 0.000 0.453 152 D N 1.172 121.570 120.400 -0.002 0.000 2.178 152 D HA 0.018 4.658 4.640 -0.000 0.000 0.201 152 D C 1.880 178.111 176.300 -0.115 0.000 0.980 152 D CA 0.951 54.923 54.000 -0.046 0.000 0.842 152 D CB -0.339 40.444 40.800 -0.028 0.000 0.948 152 D HN 0.430 nan 8.370 nan 0.000 0.472 153 M N -0.121 119.400 119.600 -0.131 0.000 2.086 153 M HA -0.149 4.331 4.480 -0.000 0.000 0.261 153 M C 2.300 178.283 176.300 -0.528 0.000 1.067 153 M CA 1.220 56.350 55.300 -0.283 0.000 1.116 153 M CB -0.011 32.590 32.600 0.002 0.000 1.348 153 M HN -0.120 nan 8.290 nan 0.000 0.407 154 R N 0.787 120.954 120.500 -0.554 0.000 2.103 154 R HA -0.183 4.157 4.340 -0.000 0.000 0.242 154 R C 1.844 178.020 176.300 -0.206 0.000 1.142 154 R CA 1.707 57.451 56.100 -0.594 0.000 0.960 154 R CB -0.490 29.274 30.300 -0.895 0.000 0.858 154 R HN 0.409 nan 8.270 nan 0.000 0.439 155 I N 0.679 121.142 120.570 -0.178 0.000 2.179 155 I HA -0.284 3.886 4.170 -0.000 0.000 0.242 155 I C 2.639 178.736 176.117 -0.033 0.000 1.088 155 I CA 1.386 62.638 61.300 -0.080 0.000 1.357 155 I CB -0.386 37.576 38.000 -0.064 0.000 1.051 155 I HN 0.198 nan 8.210 nan 0.000 0.409 156 K N 0.638 120.994 120.400 -0.073 0.000 2.211 156 K HA -0.196 4.124 4.320 -0.000 0.000 0.204 156 K C 1.741 178.421 176.600 0.133 0.000 1.047 156 K CA 1.522 57.805 56.287 -0.007 0.000 0.935 156 K CB -0.169 32.299 32.500 -0.053 0.000 0.728 156 K HN 0.528 nan 8.250 nan 0.000 0.452 157 H N -1.691 117.449 119.070 0.117 0.000 2.547 157 H HA 0.088 4.643 4.556 -0.000 0.000 0.266 157 H C 0.746 176.158 175.328 0.140 0.000 0.988 157 H CA 0.023 56.171 56.048 0.166 0.000 1.147 157 H CB 0.540 30.474 29.762 0.287 0.000 1.365 157 H HN 0.524 nan 8.280 nan 0.000 0.589 158 G N 0.729 109.646 108.800 0.195 0.000 2.131 158 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.201 158 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.201 158 G C -0.134 174.834 174.900 0.113 0.000 1.000 158 G CA 0.109 45.291 45.100 0.137 0.000 0.680 158 G HN 0.213 nan 8.290 nan 0.000 0.514 159 V N 1.235 121.198 119.914 0.083 0.000 2.276 159 V HA 0.356 4.476 4.120 -0.000 0.000 0.268 159 V C 1.423 177.479 176.094 -0.062 0.000 1.032 159 V CA 0.135 62.445 62.300 0.016 0.000 0.810 159 V CB 1.112 32.941 31.823 0.011 0.000 1.060 159 V HN 0.369 nan 8.190 nan 0.000 0.446 160 K N 1.912 122.291 120.400 -0.036 0.000 2.002 160 K HA -0.058 4.262 4.320 -0.000 0.000 0.209 160 K C 0.806 177.361 176.600 -0.075 0.000 1.048 160 K CA 1.110 57.369 56.287 -0.045 0.000 0.930 160 K CB 0.341 32.829 32.500 -0.020 0.000 0.714 160 K HN 0.558 nan 8.250 nan 0.000 0.438 161 E N 2.284 122.437 120.200 -0.079 0.000 2.338 161 E HA 0.117 4.467 4.350 -0.000 0.000 0.272 161 E C -2.292 174.210 176.600 -0.164 0.000 1.029 161 E CA -2.394 53.952 56.400 -0.090 0.000 0.872 161 E CB 0.825 30.491 29.700 -0.056 0.000 1.015 161 E HN 0.288 nan 8.360 nan 0.000 0.417 162 P HA 0.024 nan 4.420 nan 0.000 0.269 162 P C 0.552 177.787 177.300 -0.109 0.000 1.209 162 P CA -0.044 62.973 63.100 -0.138 0.000 0.776 162 P CB 0.686 32.364 31.700 -0.036 0.000 0.876 163 H N 0.746 119.866 119.070 0.084 0.000 2.457 163 H HA -0.047 4.508 4.556 -0.000 0.000 0.294 163 H C 0.357 175.736 175.328 0.085 0.000 1.064 163 H CA 0.682 56.782 56.048 0.087 0.000 1.330 163 H CB -0.418 29.413 29.762 0.114 0.000 1.395 163 H HN 0.497 nan 8.280 nan 0.000 0.541 164 N N 0.717 119.545 118.700 0.214 0.000 2.667 164 N HA -0.193 4.547 4.740 -0.000 0.000 0.263 164 N C -0.602 175.024 175.510 0.193 0.000 1.038 164 N CA 0.385 53.547 53.050 0.187 0.000 0.749 164 N CB -1.505 37.052 38.487 0.116 0.000 0.892 164 N HN 0.342 nan 8.380 nan 0.000 0.546 165 I N 1.204 121.918 120.570 0.238 0.000 2.517 165 I HA -0.076 4.094 4.170 -0.000 0.000 0.285 165 I C 1.699 177.972 176.117 0.260 0.000 1.106 165 I CA 0.281 61.651 61.300 0.117 0.000 1.402 165 I CB 0.667 38.557 38.000 -0.183 0.000 1.399 165 I HN 0.125 nan 8.210 nan 0.000 0.535 166 K N 4.251 124.745 120.400 0.158 0.000 2.128 166 K HA 0.128 4.448 4.320 -0.000 0.000 0.202 166 K C -0.010 176.764 176.600 0.289 0.000 1.050 166 K CA 0.747 57.165 56.287 0.218 0.000 0.966 166 K CB 0.229 32.814 32.500 0.142 0.000 0.759 166 K HN 0.359 nan 8.250 nan 0.000 0.454 167 V N 1.221 121.233 119.914 0.163 0.000 2.483 167 V HA 0.274 4.393 4.120 -0.000 0.000 0.295 167 V C -1.270 174.888 176.094 0.107 0.000 1.035 167 V CA -0.776 61.647 62.300 0.205 0.000 0.896 167 V CB 0.927 32.814 31.823 0.105 0.000 0.986 167 V HN 0.183 nan 8.190 nan 0.000 0.447 168 W N 2.367 123.734 121.300 0.111 0.000 2.883 168 W HA 0.620 5.279 4.660 -0.000 0.000 0.335 168 W C -0.636 175.946 176.519 0.106 0.000 1.083 168 W CA -0.552 56.851 57.345 0.097 0.000 1.233 168 W CB 1.655 31.164 29.460 0.081 0.000 1.412 168 W HN 0.464 nan 8.180 nan 0.000 0.490 169 C N 3.312 122.788 119.300 0.293 0.000 2.330 169 C HA 0.452 4.911 4.460 -0.000 0.000 0.344 169 C C 0.669 175.818 174.990 0.265 0.000 1.273 169 C CA -0.792 58.367 59.018 0.236 0.000 1.879 169 C CB -0.342 27.485 27.740 0.145 0.000 2.376 169 C HN 0.471 nan 8.230 nan 0.000 0.534 170 L N 4.763 126.147 121.223 0.269 0.000 2.395 170 L HA 0.434 4.774 4.340 -0.000 0.000 0.268 170 L C 1.175 178.242 176.870 0.329 0.000 1.223 170 L CA 0.730 55.731 54.840 0.269 0.000 1.093 170 L CB -1.189 41.006 42.059 0.227 0.000 1.349 170 L HN 1.177 nan 8.230 nan 0.000 0.427 171 G N 2.676 111.617 108.800 0.236 0.000 2.642 171 G HA2 -0.303 3.656 3.960 -0.000 0.000 0.231 171 G HA3 -0.303 3.656 3.960 -0.000 0.000 0.231 171 G C -0.757 174.223 174.900 0.134 0.000 1.338 171 G CA -0.217 44.992 45.100 0.182 0.000 0.883 171 G HN 0.697 nan 8.290 nan 0.000 0.570 172 N N -0.724 118.021 118.700 0.074 0.000 2.260 172 N HA 0.671 5.411 4.740 -0.000 0.000 0.293 172 N C 0.205 175.694 175.510 -0.034 0.000 1.058 172 N CA 0.625 53.715 53.050 0.068 0.000 0.824 172 N CB 1.623 40.188 38.487 0.131 0.000 1.551 172 N HN 2.060 nan 8.380 nan 0.000 0.475 173 A N 3.252 126.017 122.820 -0.091 0.000 2.116 173 A HA -0.166 4.154 4.320 -0.000 0.000 0.327 173 A C 0.561 177.978 177.584 -0.278 0.000 0.883 173 A CA 0.927 52.808 52.037 -0.261 0.000 1.423 173 A CB -0.742 18.065 19.000 -0.322 0.000 0.662 173 A HN 0.872 nan 8.150 nan 0.000 0.285 174 M N 1.751 121.151 119.600 -0.333 0.000 2.475 174 M HA 0.069 4.548 4.480 -0.000 0.000 0.283 174 M C 0.968 177.138 176.300 -0.217 0.000 1.165 174 M CA 0.362 55.525 55.300 -0.227 0.000 0.976 174 M CB 0.400 32.937 32.600 -0.104 0.000 1.428 174 M HN 0.824 nan 8.290 nan 0.000 0.495 175 D N -1.011 119.042 120.400 -0.577 0.000 2.340 175 D HA 0.037 4.677 4.640 -0.000 0.000 0.220 175 D C 0.755 176.764 176.300 -0.484 0.000 1.039 175 D CA 0.129 53.799 54.000 -0.551 0.000 0.866 175 D CB -0.143 39.965 40.800 -1.154 0.000 0.913 175 D HN 0.214 nan 8.370 nan 0.000 0.523 176 G N 1.834 110.151 108.800 -0.806 0.000 2.353 176 G HA2 0.334 4.294 3.960 -0.000 0.000 0.284 176 G HA3 0.334 4.294 3.960 -0.000 0.000 0.284 176 G C -1.455 172.756 174.900 -1.147 0.000 1.172 176 G CA -1.126 43.040 45.100 -1.557 0.000 0.854 176 G HN -0.089 nan 8.290 nan 0.000 0.485 177 P HA -0.074 nan 4.420 nan 0.000 0.226 177 P C 1.058 178.179 177.300 -0.299 0.000 1.153 177 P CA 0.728 63.517 63.100 -0.519 0.000 0.777 177 P CB 0.063 31.600 31.700 -0.272 0.000 0.794 178 W N -0.177 121.044 121.300 -0.132 0.000 3.180 178 W HA 0.275 4.935 4.660 -0.000 0.000 0.254 178 W C 0.553 176.999 176.519 -0.122 0.000 1.318 178 W CA -0.400 56.874 57.345 -0.118 0.000 1.608 178 W CB -0.889 28.501 29.460 -0.116 0.000 1.124 178 W HN -0.093 nan 8.180 nan 0.000 0.694 179 Q N 1.463 121.054 119.800 -0.347 0.000 2.337 179 Q HA 0.350 4.690 4.340 -0.000 0.000 0.266 179 Q C -0.406 175.533 176.000 -0.102 0.000 1.023 179 Q CA -0.883 54.806 55.803 -0.190 0.000 0.829 179 Q CB 3.003 31.567 28.738 -0.290 0.000 1.306 179 Q HN -0.017 nan 8.270 nan 0.000 0.449 180 V N 3.583 123.472 119.914 -0.042 0.000 2.673 180 V HA 0.330 4.450 4.120 -0.000 0.000 0.303 180 V C 0.858 176.947 176.094 -0.008 0.000 1.046 180 V CA 1.880 64.173 62.300 -0.011 0.000 1.126 180 V CB 0.404 32.230 31.823 0.004 0.000 0.934 180 V HN 1.081 nan 8.190 nan 0.000 0.487 181 G N 3.928 112.735 108.800 0.012 0.000 2.176 181 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.252 181 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.252 181 G C 0.330 175.236 174.900 0.009 0.000 1.024 181 G CA 0.550 45.655 45.100 0.008 0.000 0.755 181 G HN 1.765 nan 8.290 nan 0.000 0.507 182 H N 0.924 119.952 119.070 -0.070 0.000 3.125 182 H HA 0.270 4.825 4.556 -0.000 0.000 0.310 182 H C -0.061 175.264 175.328 -0.005 0.000 0.980 182 H CA 0.599 56.594 56.048 -0.088 0.000 1.422 182 H CB 0.508 30.186 29.762 -0.140 0.000 1.432 182 H HN 0.190 nan 8.280 nan 0.000 0.577 183 K N 3.993 124.105 120.400 -0.480 0.000 2.221 183 K HA 0.188 4.508 4.320 -0.000 0.000 0.243 183 K C 0.372 176.798 176.600 -0.290 0.000 0.968 183 K CA -0.772 55.328 56.287 -0.312 0.000 0.846 183 K CB 1.842 34.358 32.500 0.027 0.000 1.141 183 K HN 0.777 nan 8.250 nan 0.000 0.434 184 T N -1.966 112.505 114.554 -0.139 0.000 2.788 184 T HA 0.141 4.491 4.350 -0.000 0.000 0.287 184 T C 1.825 176.503 174.700 -0.036 0.000 1.007 184 T CA -0.576 61.551 62.100 0.046 0.000 1.005 184 T CB 0.393 69.273 68.868 0.020 0.000 1.012 184 T HN 0.675 nan 8.240 nan 0.000 0.530 185 M N 0.291 119.825 119.600 -0.110 0.000 2.082 185 M HA -0.116 4.364 4.480 -0.000 0.000 0.258 185 M C 1.450 177.543 176.300 -0.346 0.000 1.069 185 M CA 1.981 56.895 55.300 -0.642 0.000 1.102 185 M CB -0.951 31.457 32.600 -0.320 0.000 1.336 185 M HN 0.533 nan 8.290 nan 0.000 0.404 186 D N 0.958 121.290 120.400 -0.114 0.000 2.097 186 D HA -0.138 4.502 4.640 -0.000 0.000 0.195 186 D C 1.992 178.143 176.300 -0.249 0.000 0.989 186 D CA 1.754 55.721 54.000 -0.055 0.000 0.827 186 D CB -0.263 40.555 40.800 0.030 0.000 0.966 186 D HN 0.604 nan 8.370 nan 0.000 0.456 187 E N -0.071 120.027 120.200 -0.171 0.000 2.038 187 E HA -0.224 4.126 4.350 -0.000 0.000 0.195 187 E C 2.108 178.599 176.600 -0.181 0.000 1.000 187 E CA 0.998 57.300 56.400 -0.163 0.000 0.803 187 E CB -0.265 29.380 29.700 -0.092 0.000 0.750 187 E HN 0.310 nan 8.360 nan 0.000 0.448 188 Y N 1.169 121.314 120.300 -0.258 0.000 2.181 188 Y HA -0.159 4.390 4.550 -0.000 0.000 0.288 188 Y C 2.227 177.972 175.900 -0.259 0.000 1.146 188 Y CA 1.709 59.680 58.100 -0.214 0.000 1.164 188 Y CB -0.799 37.567 38.460 -0.156 0.000 0.982 188 Y HN 0.020 nan 8.280 nan 0.000 0.515 189 G N 0.849 109.379 108.800 -0.449 0.000 2.553 189 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.218 189 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.218 189 G C 1.844 176.375 174.900 -0.615 0.000 1.195 189 G CA 1.173 46.016 45.100 -0.429 0.000 0.779 189 G HN 0.265 nan 8.290 nan 0.000 0.577 190 R N -0.196 119.808 120.500 -0.826 0.000 2.073 190 R HA -0.017 4.323 4.340 -0.000 0.000 0.234 190 R C 2.545 178.610 176.300 -0.392 0.000 1.134 190 R CA 1.112 56.830 56.100 -0.637 0.000 0.952 190 R CB -1.073 28.886 30.300 -0.569 0.000 0.850 190 R HN 0.464 nan 8.270 nan 0.000 0.433 191 I N 1.083 121.438 120.570 -0.358 0.000 2.226 191 I HA -0.208 3.962 4.170 -0.000 0.000 0.245 191 I C 2.179 178.116 176.117 -0.300 0.000 1.100 191 I CA 1.468 62.611 61.300 -0.260 0.000 1.374 191 I CB -0.379 37.530 38.000 -0.151 0.000 1.057 191 I HN 0.138 nan 8.210 nan 0.000 0.413 192 A N -0.357 122.162 122.820 -0.502 0.000 1.902 192 A HA -0.267 4.052 4.320 -0.000 0.000 0.217 192 A C 2.381 179.821 177.584 -0.239 0.000 1.181 192 A CA 1.872 53.643 52.037 -0.443 0.000 0.623 192 A CB -0.856 17.681 19.000 -0.772 0.000 0.818 192 A HN 0.606 nan 8.150 nan 0.000 0.443 193 E N -0.451 119.614 120.200 -0.226 0.000 2.051 193 E HA -0.233 4.116 4.350 -0.000 0.000 0.192 193 E C 1.767 178.235 176.600 -0.219 0.000 0.991 193 E CA 1.388 57.715 56.400 -0.121 0.000 0.799 193 E CB -0.088 29.577 29.700 -0.057 0.000 0.748 193 E HN 0.517 nan 8.360 nan 0.000 0.449 194 E N 0.005 120.070 120.200 -0.225 0.000 2.072 194 E HA -0.096 4.254 4.350 -0.000 0.000 0.190 194 E C 2.196 178.672 176.600 -0.207 0.000 0.982 194 E CA 1.395 57.659 56.400 -0.227 0.000 0.803 194 E CB -0.518 29.072 29.700 -0.184 0.000 0.755 194 E HN 0.288 nan 8.360 nan 0.000 0.453 195 T N 1.440 115.892 114.554 -0.171 0.000 2.746 195 T HA -0.099 4.251 4.350 -0.000 0.000 0.267 195 T C 1.962 176.575 174.700 -0.145 0.000 1.039 195 T CA 1.502 63.518 62.100 -0.140 0.000 1.142 195 T CB -0.234 68.574 68.868 -0.101 0.000 0.866 195 T HN 0.261 nan 8.240 nan 0.000 0.444 196 A N 1.850 124.593 122.820 -0.129 0.000 1.883 196 A HA -0.139 4.181 4.320 -0.000 0.000 0.217 196 A C 2.317 179.820 177.584 -0.135 0.000 1.186 196 A CA 1.783 53.771 52.037 -0.082 0.000 0.624 196 A CB -0.676 18.331 19.000 0.011 0.000 0.822 196 A HN 0.386 nan 8.150 nan 0.000 0.444 197 R N -0.488 119.823 120.500 -0.315 0.000 2.096 197 R HA -0.196 4.144 4.340 -0.000 0.000 0.240 197 R C 2.328 178.490 176.300 -0.230 0.000 1.139 197 R CA 1.698 57.522 56.100 -0.460 0.000 0.952 197 R CB -0.418 29.473 30.300 -0.682 0.000 0.854 197 R HN 0.489 nan 8.270 nan 0.000 0.436 198 A N 0.621 123.321 122.820 -0.200 0.000 1.873 198 A HA -0.147 4.173 4.320 -0.000 0.000 0.215 198 A C 2.246 179.745 177.584 -0.142 0.000 1.186 198 A CA 1.443 53.389 52.037 -0.152 0.000 0.616 198 A CB -0.432 18.482 19.000 -0.144 0.000 0.823 198 A HN 0.322 nan 8.150 nan 0.000 0.442 199 M N -0.826 118.674 119.600 -0.167 0.000 2.108 199 M HA -0.168 4.311 4.480 -0.000 0.000 0.261 199 M C 2.046 178.252 176.300 -0.156 0.000 1.066 199 M CA 1.723 56.897 55.300 -0.211 0.000 1.107 199 M CB -0.338 32.091 32.600 -0.286 0.000 1.356 199 M HN 0.276 nan 8.290 nan 0.000 0.406 200 K N -0.170 120.173 120.400 -0.095 0.000 2.442 200 K HA -0.001 4.319 4.320 -0.000 0.000 0.198 200 K C 1.734 178.320 176.600 -0.024 0.000 1.042 200 K CA 0.767 57.032 56.287 -0.037 0.000 0.958 200 K CB 0.036 32.551 32.500 0.026 0.000 0.766 200 K HN 0.384 nan 8.250 nan 0.000 0.474 201 M N -0.229 119.343 119.600 -0.046 0.000 2.388 201 M HA -0.035 4.444 4.480 -0.000 0.000 0.265 201 M C 1.773 178.056 176.300 -0.028 0.000 1.088 201 M CA 1.163 56.443 55.300 -0.032 0.000 1.134 201 M CB 0.041 32.614 32.600 -0.046 0.000 1.384 201 M HN 0.114 nan 8.290 nan 0.000 0.447 202 I N -0.572 119.967 120.570 -0.052 0.000 2.235 202 I HA -0.118 4.052 4.170 -0.000 0.000 0.241 202 I C 0.583 176.707 176.117 0.011 0.000 1.085 202 I CA 0.884 62.165 61.300 -0.032 0.000 1.378 202 I CB 0.120 38.074 38.000 -0.076 0.000 1.076 202 I HN 0.121 nan 8.210 nan 0.000 0.415 203 D N -0.161 120.226 120.400 -0.021 0.000 2.473 203 D HA 0.205 4.845 4.640 -0.000 0.000 0.253 203 D C -2.081 174.222 176.300 0.006 0.000 1.233 203 D CA -2.101 51.906 54.000 0.010 0.000 0.908 203 D CB 1.822 42.633 40.800 0.019 0.000 1.170 203 D HN -0.164 nan 8.370 nan 0.000 0.558 204 P HA -0.090 nan 4.420 nan 0.000 0.221 204 P C 1.285 178.609 177.300 0.042 0.000 1.150 204 P CA 0.796 63.914 63.100 0.029 0.000 0.800 204 P CB 0.219 31.937 31.700 0.031 0.000 0.787 205 S N -0.493 115.238 115.700 0.052 0.000 2.515 205 S HA -0.052 4.418 4.470 -0.000 0.000 0.231 205 S C 1.029 175.687 174.600 0.097 0.000 0.987 205 S CA -0.224 58.017 58.200 0.068 0.000 0.936 205 S CB -1.490 61.752 63.200 0.070 0.000 0.766 205 S HN 0.221 nan 8.310 nan 0.000 0.528 206 I N -1.094 119.538 120.570 0.103 0.000 3.079 206 I HA 0.523 4.693 4.170 -0.000 0.000 0.295 206 I C -0.259 175.958 176.117 0.165 0.000 1.094 206 I CA -0.751 60.649 61.300 0.168 0.000 1.295 206 I CB 0.636 38.725 38.000 0.148 0.000 1.443 206 I HN 0.007 nan 8.210 nan 0.000 0.607 207 E N 3.432 123.782 120.200 0.250 0.000 2.248 207 E HA 0.603 4.953 4.350 -0.000 0.000 0.267 207 E C -1.460 175.329 176.600 0.315 0.000 0.877 207 E CA -0.746 55.803 56.400 0.248 0.000 0.759 207 E CB 2.706 32.598 29.700 0.320 0.000 1.182 207 E HN 0.496 nan 8.360 nan 0.000 0.418 208 L N 2.047 123.420 121.223 0.251 0.000 2.346 208 L HA 0.552 4.891 4.340 -0.000 0.000 0.274 208 L C -0.757 176.291 176.870 0.298 0.000 1.007 208 L CA -1.132 53.863 54.840 0.259 0.000 0.818 208 L CB 1.931 44.084 42.059 0.156 0.000 1.284 208 L HN 0.230 nan 8.230 nan 0.000 0.424 209 V N 2.169 122.267 119.914 0.307 0.000 2.357 209 V HA 0.582 4.702 4.120 -0.000 0.000 0.284 209 V C 0.338 176.594 176.094 0.270 0.000 1.018 209 V CA -0.597 61.886 62.300 0.306 0.000 0.841 209 V CB 1.495 33.466 31.823 0.247 0.000 0.991 209 V HN 0.854 nan 8.190 nan 0.000 0.437 210 A N 3.985 126.962 122.820 0.262 0.000 2.354 210 A HA 0.443 4.763 4.320 -0.000 0.000 0.269 210 A C 0.212 178.033 177.584 0.395 0.000 1.109 210 A CA -0.255 51.982 52.037 0.333 0.000 0.800 210 A CB 0.274 19.422 19.000 0.248 0.000 1.045 210 A HN 0.866 nan 8.150 nan 0.000 0.489 211 C N 2.661 122.273 119.300 0.520 0.000 2.629 211 C HA 0.514 4.974 4.460 -0.000 0.000 0.410 211 C C 1.465 176.733 174.990 0.464 0.000 1.339 211 C CA 0.270 59.481 59.018 0.322 0.000 1.810 211 C CB -0.551 27.193 27.740 0.007 0.000 2.549 211 C HN 0.989 nan 8.230 nan 0.000 0.589 212 G N 2.938 111.918 108.800 0.300 0.000 2.532 212 G HA2 0.472 4.432 3.960 -0.000 0.000 0.291 212 G HA3 0.472 4.432 3.960 -0.000 0.000 0.291 212 G C -0.136 174.731 174.900 -0.055 0.000 1.349 212 G CA -0.295 45.004 45.100 0.332 0.000 1.038 212 G HN 0.761 nan 8.290 nan 0.000 0.518 213 S N -0.935 114.713 115.700 -0.086 0.000 2.569 213 S HA 0.093 4.563 4.470 -0.000 0.000 0.274 213 S C 1.716 176.132 174.600 -0.306 0.000 1.353 213 S CA -0.175 57.816 58.200 -0.348 0.000 1.023 213 S CB 1.359 64.570 63.200 0.018 0.000 0.876 213 S HN 0.519 nan 8.310 nan 0.000 0.540 214 S N 0.914 116.416 115.700 -0.331 0.000 2.383 214 S HA -0.006 4.463 4.470 -0.000 0.000 0.227 214 S C 1.014 175.587 174.600 -0.045 0.000 1.026 214 S CA 1.021 59.114 58.200 -0.179 0.000 0.981 214 S CB -0.122 63.148 63.200 0.116 0.000 0.818 214 S HN 0.900 nan 8.310 nan 0.000 0.472 215 S N 0.245 115.887 115.700 -0.096 0.000 2.757 215 S HA 0.538 5.008 4.470 -0.000 0.000 0.285 215 S C -1.629 172.707 174.600 -0.440 0.000 1.196 215 S CA -1.107 56.957 58.200 -0.227 0.000 0.856 215 S CB 1.292 64.414 63.200 -0.130 0.000 1.212 215 S HN 0.225 nan 8.310 nan 0.000 0.516 216 K N 0.086 120.082 120.400 -0.674 0.000 2.877 216 K HA 0.758 5.077 4.320 -0.000 0.000 0.176 216 K C -0.961 175.379 176.600 -0.433 0.000 1.075 216 K CA -0.420 55.275 56.287 -0.988 0.000 0.939 216 K CB 0.357 31.748 32.500 -1.847 0.000 1.237 216 K HN 0.501 nan 8.250 nan 0.000 0.607 217 D N -0.467 119.850 120.400 -0.138 0.000 1.590 217 D HA -0.086 4.553 4.640 -0.000 0.000 0.290 217 D C -0.561 175.725 176.300 -0.023 0.000 0.360 217 D CA 0.202 54.138 54.000 -0.108 0.000 0.998 217 D CB -0.450 40.242 40.800 -0.181 0.000 1.624 217 D HN 0.283 nan 8.370 nan 0.000 0.788 218 M N 2.356 121.945 119.600 -0.018 0.000 2.269 218 M HA 0.169 4.649 4.480 -0.000 0.000 0.350 218 M C -1.562 174.795 176.300 0.095 0.000 1.429 218 M CA -1.111 54.206 55.300 0.028 0.000 1.063 218 M CB 0.080 32.669 32.600 -0.018 0.000 1.841 218 M HN -0.041 nan 8.290 nan 0.000 0.455 219 P HA -0.106 nan 4.420 nan 0.000 0.221 219 P C 1.027 178.408 177.300 0.136 0.000 1.145 219 P CA 1.287 64.447 63.100 0.100 0.000 0.795 219 P CB -0.126 31.616 31.700 0.070 0.000 0.775 220 T N -5.079 109.565 114.554 0.150 0.000 3.148 220 T HA 0.016 4.366 4.350 -0.000 0.000 0.253 220 T C 0.288 175.146 174.700 0.263 0.000 1.134 220 T CA -0.311 61.910 62.100 0.202 0.000 1.051 220 T CB -1.029 67.988 68.868 0.249 0.000 0.959 220 T HN -0.067 nan 8.240 nan 0.000 0.525 221 F N 4.032 124.045 119.950 0.104 0.000 2.412 221 F HA 0.462 4.988 4.527 -0.000 0.000 0.348 221 F C -1.764 174.105 175.800 0.115 0.000 1.102 221 F CA -2.449 55.627 58.000 0.126 0.000 1.196 221 F CB 1.670 40.722 39.000 0.086 0.000 1.144 221 F HN -0.132 nan 8.300 nan 0.000 0.541 222 P HA 0.009 nan 4.420 nan 0.000 0.267 222 P C 0.833 178.036 177.300 -0.161 0.000 1.289 222 P CA 0.340 62.964 63.100 -0.794 0.000 0.866 222 P CB 0.233 31.322 31.700 -1.018 0.000 1.309 223 Q N -0.695 119.078 119.800 -0.044 0.000 2.248 223 Q HA -0.176 4.164 4.340 -0.000 0.000 0.208 223 Q C 1.677 177.764 176.000 0.144 0.000 0.984 223 Q CA 1.329 57.158 55.803 0.045 0.000 0.875 223 Q CB -0.377 28.392 28.738 0.051 0.000 0.910 223 Q HN 0.294 nan 8.270 nan 0.000 0.433 224 W N 1.351 122.678 121.300 0.046 0.000 2.315 224 W HA -0.262 4.397 4.660 -0.000 0.000 0.323 224 W C 1.319 177.910 176.519 0.119 0.000 1.233 224 W CA 2.163 59.569 57.345 0.102 0.000 1.267 224 W CB -0.208 29.326 29.460 0.122 0.000 1.160 224 W HN 0.224 nan 8.180 nan 0.000 0.474 225 E N 0.499 120.929 120.200 0.383 0.000 2.058 225 E HA -0.180 4.170 4.350 -0.000 0.000 0.194 225 E C 2.412 179.096 176.600 0.140 0.000 0.997 225 E CA 2.303 58.863 56.400 0.266 0.000 0.801 225 E CB -1.069 28.765 29.700 0.223 0.000 0.746 225 E HN 0.247 nan 8.360 nan 0.000 0.450 226 A N 0.190 123.076 122.820 0.110 0.000 1.892 226 A HA -0.260 4.060 4.320 -0.000 0.000 0.218 226 A C 2.419 180.034 177.584 0.052 0.000 1.188 226 A CA 2.391 54.499 52.037 0.118 0.000 0.631 226 A CB -1.159 17.924 19.000 0.138 0.000 0.822 226 A HN 0.305 nan 8.150 nan 0.000 0.447 227 T N -0.466 114.093 114.554 0.009 0.000 2.701 227 T HA -0.100 4.250 4.350 -0.000 0.000 0.263 227 T C 1.908 176.592 174.700 -0.027 0.000 1.040 227 T CA 1.525 63.592 62.100 -0.054 0.000 1.147 227 T CB -0.563 68.275 68.868 -0.050 0.000 0.865 227 T HN 0.135 nan 8.240 nan 0.000 0.426 228 V N 1.722 121.600 119.914 -0.059 0.000 2.324 228 V HA -0.174 3.946 4.120 -0.000 0.000 0.250 228 V C 2.442 178.581 176.094 0.074 0.000 1.060 228 V CA 1.637 63.929 62.300 -0.013 0.000 1.042 228 V CB -0.694 31.099 31.823 -0.049 0.000 0.650 228 V HN 0.437 nan 8.190 nan 0.000 0.450 229 L N -0.570 120.701 121.223 0.079 0.000 2.179 229 L HA -0.086 4.254 4.340 -0.000 0.000 0.208 229 L C 2.380 179.324 176.870 0.123 0.000 1.096 229 L CA 1.236 56.154 54.840 0.131 0.000 0.779 229 L CB -0.627 41.539 42.059 0.178 0.000 0.922 229 L HN 0.323 nan 8.230 nan 0.000 0.443 230 D N -0.213 120.178 120.400 -0.015 0.000 2.149 230 D HA -0.217 4.423 4.640 -0.000 0.000 0.198 230 D C 2.015 178.219 176.300 -0.161 0.000 0.990 230 D CA 1.610 55.516 54.000 -0.156 0.000 0.839 230 D CB 0.133 40.761 40.800 -0.287 0.000 0.948 230 D HN 0.248 nan 8.370 nan 0.000 0.460 231 Y N 0.309 120.596 120.300 -0.022 0.000 2.176 231 Y HA 0.139 4.689 4.550 -0.000 0.000 0.291 231 Y C 2.372 178.295 175.900 0.039 0.000 1.122 231 Y CA 1.262 59.349 58.100 -0.021 0.000 1.128 231 Y CB -0.450 37.961 38.460 -0.081 0.000 1.005 231 Y HN -0.017 nan 8.280 nan 0.000 0.509 232 A N -2.076 120.867 122.820 0.206 0.000 2.308 232 A HA 0.021 4.341 4.320 -0.000 0.000 0.217 232 A C 1.583 179.254 177.584 0.145 0.000 1.216 232 A CA -0.260 51.886 52.037 0.183 0.000 0.864 232 A CB -1.014 18.032 19.000 0.078 0.000 0.902 232 A HN 0.524 nan 8.150 nan 0.000 0.499 233 Y N 1.526 121.817 120.300 -0.015 0.000 2.132 233 Y HA -0.328 4.222 4.550 -0.000 0.000 0.280 233 Y C 1.460 177.260 175.900 -0.167 0.000 1.193 233 Y CA 2.509 60.557 58.100 -0.087 0.000 1.157 233 Y CB 0.080 38.471 38.460 -0.115 0.000 0.966 233 Y HN 0.397 nan 8.280 nan 0.000 0.511 234 D N -1.988 118.339 120.400 -0.121 0.000 2.312 234 D HA -0.129 4.511 4.640 -0.000 0.000 0.211 234 D C 1.082 177.020 176.300 -0.603 0.000 0.964 234 D CA 1.235 54.968 54.000 -0.445 0.000 0.877 234 D CB -0.251 40.101 40.800 -0.747 0.000 0.924 234 D HN 0.499 nan 8.370 nan 0.000 0.515 235 Y N -0.336 119.949 120.300 -0.024 0.000 2.444 235 Y HA 0.168 4.717 4.550 -0.000 0.000 0.249 235 Y C 0.920 176.789 175.900 -0.053 0.000 1.134 235 Y CA -0.521 57.556 58.100 -0.038 0.000 1.261 235 Y CB 0.329 38.768 38.460 -0.034 0.000 1.143 235 Y HN -0.223 nan 8.280 nan 0.000 0.523 236 V N -3.021 116.897 119.914 0.007 0.000 2.994 236 V HA 0.488 4.608 4.120 -0.000 0.000 0.318 236 V C 0.052 176.060 176.094 -0.144 0.000 1.085 236 V CA -0.662 61.623 62.300 -0.024 0.000 0.998 236 V CB 2.400 34.223 31.823 0.000 0.000 1.063 236 V HN 0.075 nan 8.190 nan 0.000 0.447 237 D N -0.370 119.948 120.400 -0.136 0.000 2.482 237 D HA 0.192 4.832 4.640 -0.000 0.000 0.251 237 D C -0.646 175.352 176.300 -0.503 0.000 1.073 237 D CA 0.978 54.765 54.000 -0.355 0.000 0.892 237 D CB 0.867 41.413 40.800 -0.423 0.000 1.202 237 D HN 0.631 nan 8.370 nan 0.000 0.496 238 Y N 0.270 120.595 120.300 0.042 0.000 2.512 238 Y HA 0.451 5.001 4.550 -0.000 0.000 0.348 238 Y C -0.479 175.455 175.900 0.057 0.000 0.990 238 Y CA -1.146 56.992 58.100 0.063 0.000 1.033 238 Y CB 1.995 40.514 38.460 0.099 0.000 1.259 238 Y HN -0.255 nan 8.280 nan 0.000 0.461 239 I N 1.847 122.549 120.570 0.219 0.000 2.525 239 I HA 0.612 4.782 4.170 -0.000 0.000 0.301 239 I C -0.166 176.045 176.117 0.158 0.000 0.992 239 I CA -0.237 61.173 61.300 0.183 0.000 1.162 239 I CB 1.451 39.534 38.000 0.138 0.000 1.332 239 I HN 0.630 nan 8.210 nan 0.000 0.458 240 S N 6.941 122.737 115.700 0.160 0.000 2.608 240 S HA 0.850 5.319 4.470 -0.000 0.000 0.291 240 S C -0.915 173.709 174.600 0.039 0.000 1.146 240 S CA -0.571 57.693 58.200 0.107 0.000 1.043 240 S CB 1.221 64.536 63.200 0.192 0.000 1.037 240 S HN 0.475 nan 8.310 nan 0.000 0.520 241 L N 2.386 123.521 121.223 -0.147 0.000 2.388 241 L HA 0.569 4.909 4.340 -0.000 0.000 0.264 241 L C -0.277 176.502 176.870 -0.151 0.000 0.998 241 L CA -0.386 54.226 54.840 -0.380 0.000 0.817 241 L CB 2.183 43.410 42.059 -1.386 0.000 1.338 241 L HN 0.822 nan 8.230 nan 0.000 0.414 242 H N 1.624 120.686 119.070 -0.013 0.000 2.600 242 H HA 0.643 5.199 4.556 -0.000 0.000 0.357 242 H C -1.275 174.214 175.328 0.268 0.000 1.106 242 H CA -0.814 55.338 56.048 0.174 0.000 1.193 242 H CB 2.846 32.678 29.762 0.116 0.000 1.594 242 H HN 0.426 nan 8.280 nan 0.000 0.526 243 Q N 2.288 122.270 119.800 0.302 0.000 2.295 243 Q HA 0.325 4.665 4.340 -0.000 0.000 0.268 243 Q C -2.107 173.647 176.000 -0.409 0.000 1.010 243 Q CA -0.585 55.193 55.803 -0.041 0.000 0.856 243 Q CB 1.773 30.580 28.738 0.114 0.000 1.349 243 Q HN 0.493 nan 8.270 nan 0.000 0.412 244 Y N 1.816 122.043 120.300 -0.122 0.000 2.462 244 Y HA 0.643 5.193 4.550 -0.000 0.000 0.346 244 Y C -1.082 174.660 175.900 -0.264 0.000 0.976 244 Y CA -0.686 57.388 58.100 -0.043 0.000 1.044 244 Y CB 1.607 40.163 38.460 0.161 0.000 1.230 244 Y HN 0.545 nan 8.280 nan 0.000 0.455 245 Y N 0.199 120.704 120.300 0.342 0.000 2.562 245 Y HA 0.837 5.387 4.550 -0.000 0.000 0.343 245 Y C 0.414 176.490 175.900 0.294 0.000 1.025 245 Y CA -1.537 56.699 58.100 0.226 0.000 1.082 245 Y CB 2.499 41.018 38.460 0.099 0.000 1.264 245 Y HN 0.679 nan 8.280 nan 0.000 0.478 246 G N 0.489 109.511 108.800 0.370 0.000 2.704 246 G HA2 0.361 4.321 3.960 -0.000 0.000 0.293 246 G HA3 0.361 4.321 3.960 -0.000 0.000 0.293 246 G C -1.594 172.981 174.900 -0.541 0.000 1.421 246 G CA -0.925 44.055 45.100 -0.201 0.000 0.870 246 G HN 0.498 nan 8.290 nan 0.000 0.492 247 N N -0.434 117.284 118.700 -1.636 0.000 2.644 247 N HA 0.220 4.960 4.740 -0.000 0.000 0.313 247 N C 1.125 176.274 175.510 -0.601 0.000 1.863 247 N CA -0.387 52.022 53.050 -1.069 0.000 0.918 247 N CB 0.716 38.315 38.487 -1.481 0.000 1.320 247 N HN 0.362 nan 8.380 nan 0.000 0.490 248 K N 0.019 120.213 120.400 -0.344 0.000 2.147 248 K HA -0.023 4.297 4.320 -0.000 0.000 0.205 248 K C 1.172 177.728 176.600 -0.073 0.000 1.049 248 K CA 1.183 57.417 56.287 -0.087 0.000 0.936 248 K CB 0.170 32.646 32.500 -0.040 0.000 0.722 248 K HN 0.431 nan 8.250 nan 0.000 0.446 249 E N 0.263 120.407 120.200 -0.093 0.000 2.204 249 E HA -0.110 4.240 4.350 -0.000 0.000 0.195 249 E C 0.093 176.669 176.600 -0.039 0.000 0.990 249 E CA 0.546 56.918 56.400 -0.047 0.000 0.821 249 E CB -0.102 29.581 29.700 -0.028 0.000 0.750 249 E HN 0.319 nan 8.360 nan 0.000 0.477 250 N N 0.996 119.649 118.700 -0.079 0.000 2.818 250 N HA -0.160 4.580 4.740 -0.000 0.000 0.250 250 N C -0.868 174.634 175.510 -0.014 0.000 1.108 250 N CA 0.322 53.340 53.050 -0.053 0.000 0.745 250 N CB -0.639 37.842 38.487 -0.010 0.000 1.104 250 N HN 0.113 nan 8.380 nan 0.000 0.557 251 D N 0.475 120.874 120.400 -0.003 0.000 2.524 251 D HA 0.240 4.880 4.640 -0.000 0.000 0.222 251 D C 1.173 177.535 176.300 0.105 0.000 1.142 251 D CA -0.053 53.981 54.000 0.058 0.000 0.973 251 D CB 0.514 41.357 40.800 0.073 0.000 1.025 251 D HN 0.082 nan 8.370 nan 0.000 0.519 252 T N 0.816 115.428 114.554 0.095 0.000 2.737 252 T HA -0.198 4.152 4.350 -0.000 0.000 0.269 252 T C 1.865 176.683 174.700 0.196 0.000 1.040 252 T CA 1.533 63.728 62.100 0.158 0.000 1.142 252 T CB 0.052 68.987 68.868 0.112 0.000 0.861 252 T HN 0.462 nan 8.240 nan 0.000 0.456 253 A N 1.431 124.343 122.820 0.153 0.000 1.877 253 A HA -0.141 4.179 4.320 -0.000 0.000 0.216 253 A C 2.115 179.817 177.584 0.197 0.000 1.186 253 A CA 2.043 54.181 52.037 0.169 0.000 0.620 253 A CB -0.859 18.249 19.000 0.179 0.000 0.822 253 A HN 0.516 nan 8.150 nan 0.000 0.443 254 D N -1.892 118.624 120.400 0.194 0.000 2.178 254 D HA -0.120 4.520 4.640 -0.000 0.000 0.202 254 D C 1.580 177.983 176.300 0.172 0.000 0.974 254 D CA 0.981 55.107 54.000 0.210 0.000 0.841 254 D CB -0.173 40.747 40.800 0.200 0.000 0.953 254 D HN 0.327 nan 8.370 nan 0.000 0.478 255 F N 0.859 120.809 119.950 0.001 0.000 2.126 255 F HA -0.089 4.438 4.527 -0.000 0.000 0.299 255 F C 1.694 177.430 175.800 -0.107 0.000 1.096 255 F CA 1.280 59.243 58.000 -0.061 0.000 1.255 255 F CB -0.296 38.675 39.000 -0.047 0.000 0.997 255 F HN 0.008 nan 8.300 nan 0.000 0.479 256 L N -0.520 120.656 121.223 -0.078 0.000 2.291 256 L HA -0.046 4.293 4.340 -0.000 0.000 0.214 256 L C 2.497 179.229 176.870 -0.231 0.000 1.120 256 L CA 0.790 55.517 54.840 -0.189 0.000 0.799 256 L CB -0.978 41.069 42.059 -0.021 0.000 0.925 256 L HN 0.198 nan 8.230 nan 0.000 0.446 257 A N -0.143 122.535 122.820 -0.237 0.000 2.167 257 A HA -0.101 4.219 4.320 -0.000 0.000 0.214 257 A C 2.083 179.252 177.584 -0.691 0.000 1.151 257 A CA 0.686 52.471 52.037 -0.421 0.000 0.735 257 A CB -0.238 18.491 19.000 -0.450 0.000 0.802 257 A HN 0.272 nan 8.150 nan 0.000 0.467 258 K N 0.632 120.641 120.400 -0.652 0.000 2.519 258 K HA -0.091 4.229 4.320 -0.000 0.000 0.196 258 K C 1.923 178.055 176.600 -0.779 0.000 1.041 258 K CA 1.145 56.959 56.287 -0.788 0.000 0.954 258 K CB -0.096 31.791 32.500 -1.022 0.000 0.774 258 K HN 0.649 nan 8.250 nan 0.000 0.480 259 S N 0.352 115.755 115.700 -0.495 0.000 2.496 259 S HA -0.066 4.404 4.470 -0.000 0.000 0.224 259 S C 1.227 175.755 174.600 -0.121 0.000 0.996 259 S CA 0.635 58.686 58.200 -0.248 0.000 0.927 259 S CB 0.098 63.192 63.200 -0.176 0.000 0.774 259 S HN 0.118 nan 8.310 nan 0.000 0.524 260 D N 2.312 122.607 120.400 -0.176 0.000 2.178 260 D HA -0.041 4.599 4.640 -0.000 0.000 0.202 260 D C 1.340 177.648 176.300 0.014 0.000 0.974 260 D CA 1.049 55.002 54.000 -0.079 0.000 0.841 260 D CB -0.358 40.367 40.800 -0.125 0.000 0.953 260 D HN 0.443 nan 8.370 nan 0.000 0.478 261 D N -0.028 120.377 120.400 0.009 0.000 2.178 261 D HA -0.096 4.544 4.640 -0.000 0.000 0.202 261 D C 2.133 178.585 176.300 0.253 0.000 0.974 261 D CA 0.214 54.306 54.000 0.153 0.000 0.841 261 D CB -0.113 40.808 40.800 0.201 0.000 0.953 261 D HN 0.173 nan 8.370 nan 0.000 0.478 262 L N 1.118 122.505 121.223 0.272 0.000 2.027 262 L HA -0.111 4.228 4.340 -0.000 0.000 0.206 262 L C 1.806 178.823 176.870 0.245 0.000 1.074 262 L CA 1.680 56.737 54.840 0.361 0.000 0.745 262 L CB -0.417 41.818 42.059 0.294 0.000 0.898 262 L HN -0.098 nan 8.230 nan 0.000 0.433 263 D N -0.582 119.911 120.400 0.155 0.000 2.116 263 D HA -0.244 4.396 4.640 -0.000 0.000 0.193 263 D C 1.397 177.760 176.300 0.105 0.000 0.998 263 D CA 1.742 55.822 54.000 0.133 0.000 0.836 263 D CB 0.103 41.004 40.800 0.168 0.000 0.951 263 D HN 0.433 nan 8.370 nan 0.000 0.449 264 D N -0.295 120.199 120.400 0.155 0.000 2.144 264 D HA -0.142 4.498 4.640 -0.000 0.000 0.199 264 D C 1.781 178.227 176.300 0.243 0.000 0.984 264 D CA 0.374 54.478 54.000 0.173 0.000 0.834 264 D CB -0.703 40.202 40.800 0.173 0.000 0.955 264 D HN 0.270 nan 8.370 nan 0.000 0.465 265 F N 1.533 121.537 119.950 0.089 0.000 2.102 265 F HA -0.102 4.424 4.527 -0.000 0.000 0.298 265 F C 2.100 177.945 175.800 0.075 0.000 1.105 265 F CA 0.837 58.886 58.000 0.082 0.000 1.239 265 F CB -0.703 38.328 39.000 0.052 0.000 0.991 265 F HN -0.133 nan 8.300 nan 0.000 0.474 266 I N 0.244 120.743 120.570 -0.119 0.000 2.127 266 I HA -0.348 3.822 4.170 -0.000 0.000 0.241 266 I C 2.685 178.678 176.117 -0.206 0.000 1.075 266 I CA 1.586 62.700 61.300 -0.311 0.000 1.334 266 I CB -0.510 37.224 38.000 -0.443 0.000 1.040 266 I HN 0.051 nan 8.210 nan 0.000 0.405 267 R N 0.177 120.601 120.500 -0.127 0.000 2.091 267 R HA -0.161 4.179 4.340 -0.000 0.000 0.238 267 R C 2.527 178.855 176.300 0.047 0.000 1.136 267 R CA 1.807 57.901 56.100 -0.009 0.000 0.959 267 R CB -0.465 29.872 30.300 0.062 0.000 0.856 267 R HN 0.296 nan 8.270 nan 0.000 0.437 268 S N 0.254 116.021 115.700 0.112 0.000 2.359 268 S HA -0.124 4.346 4.470 -0.000 0.000 0.224 268 S C 2.066 176.728 174.600 0.103 0.000 1.035 268 S CA 1.501 59.797 58.200 0.160 0.000 1.018 268 S CB -0.156 63.273 63.200 0.381 0.000 0.876 268 S HN 0.108 nan 8.310 nan 0.000 0.448 269 V N 1.809 121.774 119.914 0.085 0.000 2.515 269 V HA -0.125 3.995 4.120 -0.000 0.000 0.250 269 V C 1.965 178.069 176.094 0.016 0.000 1.058 269 V CA 1.298 63.618 62.300 0.034 0.000 1.064 269 V CB -0.733 31.040 31.823 -0.083 0.000 0.675 269 V HN 0.446 nan 8.190 nan 0.000 0.461 270 I N 0.648 121.221 120.570 0.005 0.000 2.202 270 I HA -0.189 3.981 4.170 -0.000 0.000 0.242 270 I C 2.736 178.882 176.117 0.048 0.000 1.091 270 I CA 1.368 62.684 61.300 0.027 0.000 1.368 270 I CB -0.639 37.383 38.000 0.037 0.000 1.058 270 I HN 0.276 nan 8.210 nan 0.000 0.410 271 A N 0.636 123.486 122.820 0.051 0.000 1.917 271 A HA -0.240 4.080 4.320 -0.000 0.000 0.219 271 A C 2.378 180.010 177.584 0.081 0.000 1.182 271 A CA 2.664 54.736 52.037 0.058 0.000 0.633 271 A CB -1.162 17.863 19.000 0.041 0.000 0.819 271 A HN 0.419 nan 8.150 nan 0.000 0.448 272 T N -0.672 113.923 114.554 0.068 0.000 2.674 272 T HA -0.190 4.160 4.350 -0.000 0.000 0.265 272 T C 1.944 176.745 174.700 0.167 0.000 1.039 272 T CA 1.572 63.739 62.100 0.111 0.000 1.150 272 T CB -0.801 68.097 68.868 0.049 0.000 0.864 272 T HN 0.594 nan 8.240 nan 0.000 0.427 273 C N 1.861 121.229 119.300 0.113 0.000 2.413 273 C HA -0.106 4.354 4.460 -0.000 0.000 0.276 273 C C 2.594 177.649 174.990 0.108 0.000 1.248 273 C CA 0.488 59.576 59.018 0.117 0.000 1.742 273 C CB -1.098 26.675 27.740 0.055 0.000 2.017 273 C HN 0.543 nan 8.230 nan 0.000 0.481 274 D N -0.845 119.604 120.400 0.082 0.000 2.218 274 D HA -0.110 4.530 4.640 -0.000 0.000 0.204 274 D C 1.642 177.978 176.300 0.060 0.000 0.976 274 D CA 1.052 55.087 54.000 0.058 0.000 0.853 274 D CB -0.409 40.425 40.800 0.056 0.000 0.939 274 D HN 0.724 nan 8.370 nan 0.000 0.481 275 Y N 1.181 121.469 120.300 -0.020 0.000 2.153 275 Y HA -0.119 4.431 4.550 -0.000 0.000 0.289 275 Y C 1.987 177.842 175.900 -0.074 0.000 1.127 275 Y CA 1.095 59.170 58.100 -0.042 0.000 1.131 275 Y CB -0.282 38.156 38.460 -0.037 0.000 0.995 275 Y HN -0.180 nan 8.280 nan 0.000 0.505 276 I N 1.398 121.751 120.570 -0.361 0.000 2.286 276 I HA -0.281 3.889 4.170 -0.000 0.000 0.248 276 I C 2.406 178.200 176.117 -0.539 0.000 1.115 276 I CA 1.681 62.681 61.300 -0.499 0.000 1.392 276 I CB -1.310 36.588 38.000 -0.170 0.000 1.065 276 I HN 0.339 nan 8.210 nan 0.000 0.418 277 K N 1.386 121.564 120.400 -0.370 0.000 2.020 277 K HA -0.231 4.089 4.320 -0.000 0.000 0.212 277 K C 2.210 178.598 176.600 -0.354 0.000 1.050 277 K CA 2.069 58.108 56.287 -0.413 0.000 0.929 277 K CB -0.082 32.364 32.500 -0.090 0.000 0.714 277 K HN 0.251 nan 8.250 nan 0.000 0.443 278 A N 1.322 123.987 122.820 -0.258 0.000 1.908 278 A HA -0.226 4.093 4.320 -0.000 0.000 0.218 278 A C 2.076 179.501 177.584 -0.265 0.000 1.181 278 A CA 1.952 53.865 52.037 -0.208 0.000 0.627 278 A CB -0.532 18.390 19.000 -0.131 0.000 0.818 278 A HN 0.440 nan 8.150 nan 0.000 0.445 279 K N -0.563 119.602 120.400 -0.391 0.000 2.002 279 K HA -0.150 4.170 4.320 -0.000 0.000 0.209 279 K C 1.668 178.070 176.600 -0.330 0.000 1.048 279 K CA 1.480 57.538 56.287 -0.381 0.000 0.930 279 K CB -0.083 32.100 32.500 -0.528 0.000 0.714 279 K HN 0.154 nan 8.250 nan 0.000 0.438 280 K N 0.720 120.865 120.400 -0.424 0.000 2.439 280 K HA -0.024 4.295 4.320 -0.000 0.000 0.197 280 K C 0.149 176.572 176.600 -0.295 0.000 1.041 280 K CA 0.435 56.481 56.287 -0.402 0.000 0.970 280 K CB 0.032 32.141 32.500 -0.651 0.000 0.773 280 K HN 0.173 nan 8.250 nan 0.000 0.479 281 R N 0.361 120.705 120.500 -0.260 0.000 3.516 281 R HA -0.138 4.201 4.340 -0.000 0.000 0.271 281 R C -0.069 176.138 176.300 -0.155 0.000 1.098 281 R CA 0.716 56.711 56.100 -0.176 0.000 0.732 281 R CB -2.419 27.803 30.300 -0.130 0.000 1.152 281 R HN 0.066 nan 8.270 nan 0.000 0.455 282 S N -0.489 115.094 115.700 -0.196 0.000 2.610 282 S HA 0.304 4.774 4.470 -0.000 0.000 0.273 282 S C 1.097 175.667 174.600 -0.050 0.000 1.274 282 S CA -0.771 57.362 58.200 -0.111 0.000 1.023 282 S CB 1.020 64.168 63.200 -0.088 0.000 0.962 282 S HN 0.328 nan 8.310 nan 0.000 0.523 283 K N 1.499 121.887 120.400 -0.019 0.000 2.400 283 K HA 0.099 4.419 4.320 -0.000 0.000 0.194 283 K C 0.483 177.085 176.600 0.003 0.000 1.033 283 K CA 0.224 56.504 56.287 -0.011 0.000 1.021 283 K CB 0.122 32.615 32.500 -0.012 0.000 0.808 283 K HN 0.448 nan 8.250 nan 0.000 0.505 284 K N 2.015 122.433 120.400 0.029 0.000 2.172 284 K HA 0.050 4.369 4.320 -0.000 0.000 0.276 284 K C -0.988 175.593 176.600 -0.030 0.000 1.013 284 K CA -0.426 55.859 56.287 -0.004 0.000 0.913 284 K CB 0.893 33.380 32.500 -0.022 0.000 1.055 284 K HN -0.156 nan 8.250 nan 0.000 0.461 285 D N 4.502 124.781 120.400 -0.202 0.000 2.249 285 D HA 0.171 4.810 4.640 -0.000 0.000 0.246 285 D C 0.400 176.290 176.300 -0.683 0.000 1.114 285 D CA -0.346 53.424 54.000 -0.384 0.000 0.854 285 D CB 0.920 41.421 40.800 -0.499 0.000 1.132 285 D HN 0.376 nan 8.370 nan 0.000 0.461 286 I N 2.430 122.692 120.570 -0.514 0.000 2.692 286 I HA -0.010 4.159 4.170 -0.000 0.000 0.284 286 I C 0.276 176.095 176.117 -0.497 0.000 1.159 286 I CA 0.195 61.195 61.300 -0.499 0.000 1.423 286 I CB -0.285 37.494 38.000 -0.368 0.000 1.380 286 I HN 0.253 nan 8.210 nan 0.000 0.580 287 Y N 4.974 125.221 120.300 -0.088 0.000 2.568 287 Y HA 0.500 5.050 4.550 -0.000 0.000 0.327 287 Y C -0.079 175.975 175.900 0.256 0.000 1.163 287 Y CA -1.016 57.138 58.100 0.090 0.000 1.219 287 Y CB 1.000 39.542 38.460 0.137 0.000 1.308 287 Y HN 0.227 nan 8.280 nan 0.000 0.503 288 L N 1.111 122.575 121.223 0.402 0.000 2.282 288 L HA 0.412 4.752 4.340 -0.000 0.000 0.288 288 L C -0.005 176.957 176.870 0.154 0.000 1.033 288 L CA -0.149 54.819 54.840 0.213 0.000 0.807 288 L CB 1.566 43.672 42.059 0.077 0.000 1.209 288 L HN 0.546 nan 8.230 nan 0.000 0.423 289 S N 3.576 119.315 115.700 0.065 0.000 2.488 289 S HA 0.349 4.819 4.470 -0.000 0.000 0.310 289 S C -0.252 174.358 174.600 0.016 0.000 1.093 289 S CA -0.461 57.703 58.200 -0.061 0.000 1.129 289 S CB -0.177 62.913 63.200 -0.183 0.000 0.989 289 S HN 0.356 nan 8.310 nan 0.000 0.479 290 F N 4.958 124.884 119.950 -0.039 0.000 2.666 290 F HA 0.218 4.745 4.527 -0.000 0.000 0.362 290 F C 0.907 176.716 175.800 0.014 0.000 1.190 290 F CA -1.395 56.602 58.000 -0.004 0.000 1.328 290 F CB -0.207 38.781 39.000 -0.021 0.000 1.682 290 F HN 0.687 nan 8.300 nan 0.000 0.623 291 D N -0.300 120.152 120.400 0.088 0.000 2.348 291 D HA -0.065 4.575 4.640 -0.000 0.000 0.248 291 D C -0.239 175.906 176.300 -0.258 0.000 1.142 291 D CA 0.475 54.422 54.000 -0.087 0.000 0.904 291 D CB -0.329 40.365 40.800 -0.176 0.000 0.901 291 D HN 0.459 nan 8.370 nan 0.000 0.523 292 E N 0.345 120.478 120.200 -0.112 0.000 2.454 292 E HA 0.197 4.547 4.350 -0.000 0.000 0.315 292 E C -1.477 175.119 176.600 -0.007 0.000 0.907 292 E CA -0.786 55.493 56.400 -0.202 0.000 0.797 292 E CB 1.098 30.490 29.700 -0.513 0.000 1.396 292 E HN 0.357 nan 8.360 nan 0.000 0.389 293 W N 3.433 124.613 121.300 -0.199 0.000 3.274 293 W HA 0.740 5.400 4.660 -0.000 0.000 0.327 293 W C -1.340 175.089 176.519 -0.151 0.000 1.172 293 W CA -0.590 56.569 57.345 -0.311 0.000 1.217 293 W CB 1.350 30.498 29.460 -0.521 0.000 1.376 293 W HN 0.388 nan 8.180 nan 0.000 0.507 294 N N 0.398 119.147 118.700 0.081 0.000 3.836 294 N HA 0.237 4.976 4.740 -0.000 0.000 0.229 294 N C -2.067 173.693 175.510 0.416 0.000 1.375 294 N CA -0.470 52.671 53.050 0.152 0.000 0.838 294 N CB 2.095 40.619 38.487 0.063 0.000 1.447 294 N HN 0.257 nan 8.380 nan 0.000 0.458 295 V N 1.590 121.726 119.914 0.370 0.000 2.546 295 V HA 0.514 4.634 4.120 -0.000 0.000 0.284 295 V C -0.646 175.905 176.094 0.763 0.000 1.050 295 V CA 0.024 62.667 62.300 0.571 0.000 0.981 295 V CB 0.835 32.992 31.823 0.556 0.000 0.990 295 V HN 0.637 nan 8.190 nan 0.000 0.474 296 W N 8.623 130.232 121.300 0.514 0.000 3.097 296 W HA 0.540 5.200 4.660 -0.000 0.000 0.325 296 W C -0.986 175.717 176.519 0.307 0.000 1.056 296 W CA -1.486 56.046 57.345 0.311 0.000 1.254 296 W CB 0.991 30.456 29.460 0.009 0.000 1.202 296 W HN 0.660 nan 8.180 nan 0.000 0.400 297 Y N 1.412 121.832 120.300 0.201 0.000 2.537 297 Y HA 0.233 4.782 4.550 -0.000 0.000 0.302 297 Y C 1.449 177.318 175.900 -0.052 0.000 0.959 297 Y CA 0.614 58.657 58.100 -0.096 0.000 0.971 297 Y CB -0.385 37.978 38.460 -0.163 0.000 1.416 297 Y HN 0.267 nan 8.280 nan 0.000 0.585 298 H N 1.798 120.512 119.070 -0.594 0.000 2.319 298 H HA -0.083 4.473 4.556 -0.000 0.000 0.299 298 H C 1.927 177.128 175.328 -0.211 0.000 1.092 298 H CA 2.981 58.712 56.048 -0.528 0.000 1.302 298 H CB 0.038 29.477 29.762 -0.539 0.000 1.373 298 H HN 0.473 nan 8.280 nan 0.000 0.497 299 S N -0.025 115.683 115.700 0.013 0.000 2.650 299 S HA -0.005 4.465 4.470 -0.000 0.000 0.219 299 S C 1.358 175.982 174.600 0.041 0.000 0.960 299 S CA 0.118 58.321 58.200 0.005 0.000 0.925 299 S CB -0.173 63.005 63.200 -0.037 0.000 0.775 299 S HN 0.422 nan 8.310 nan 0.000 0.525 300 N N 2.659 121.388 118.700 0.048 0.000 2.036 300 N HA -0.153 4.587 4.740 -0.000 0.000 0.195 300 N C 1.185 176.700 175.510 0.008 0.000 1.037 300 N CA 1.560 54.626 53.050 0.027 0.000 0.855 300 N CB -0.284 38.180 38.487 -0.038 0.000 1.033 300 N HN 0.371 nan 8.380 nan 0.000 0.423 301 N N 0.680 119.379 118.700 -0.003 0.000 2.331 301 N HA -0.112 4.628 4.740 -0.000 0.000 0.180 301 N C 1.473 176.979 175.510 -0.007 0.000 1.019 301 N CA 0.665 53.711 53.050 -0.006 0.000 0.881 301 N CB -0.102 38.381 38.487 -0.007 0.000 0.972 301 N HN 0.250 nan 8.380 nan 0.000 0.435 302 E N 0.879 121.074 120.200 -0.008 0.000 2.158 302 E HA -0.066 4.284 4.350 -0.000 0.000 0.191 302 E C 0.654 177.247 176.600 -0.012 0.000 0.982 302 E CA 0.914 57.305 56.400 -0.015 0.000 0.823 302 E CB -0.164 29.520 29.700 -0.027 0.000 0.766 302 E HN 0.174 nan 8.360 nan 0.000 0.468 303 D N 0.198 120.599 120.400 0.001 0.000 2.310 303 D HA -0.057 4.583 4.640 -0.000 0.000 0.212 303 D C 1.457 177.765 176.300 0.013 0.000 0.965 303 D CA 0.905 54.913 54.000 0.013 0.000 0.879 303 D CB -0.284 40.547 40.800 0.052 0.000 0.921 303 D HN 0.276 nan 8.370 nan 0.000 0.510 304 A N 0.844 123.666 122.820 0.005 0.000 1.908 304 A HA -0.321 3.999 4.320 -0.000 0.000 0.211 304 A C 1.573 179.153 177.584 -0.006 0.000 1.225 304 A CA 2.493 54.530 52.037 -0.001 0.000 0.689 304 A CB -0.728 18.268 19.000 -0.007 0.000 0.843 304 A HN 0.352 nan 8.150 nan 0.000 0.472 305 N N -2.876 115.818 118.700 -0.011 0.000 1.829 305 N HA -0.187 4.553 4.740 -0.000 0.000 0.213 305 N C 0.309 175.810 175.510 -0.015 0.000 0.597 305 N CA 1.580 54.623 53.050 -0.012 0.000 4.299 305 N CB -1.372 37.109 38.487 -0.010 0.000 0.708 305 N HN 0.368 nan 8.380 nan 0.000 0.229 306 I N 1.376 121.937 120.570 -0.015 0.000 3.771 306 I HA 0.125 4.295 4.170 -0.000 0.000 0.327 306 I C 1.244 177.343 176.117 -0.031 0.000 1.435 306 I CA -0.209 61.078 61.300 -0.022 0.000 1.259 306 I CB -0.098 37.890 38.000 -0.020 0.000 1.292 306 I HN 0.386 nan 8.210 nan 0.000 0.429 307 M N 2.305 121.887 119.600 -0.029 0.000 2.597 307 M HA 0.030 4.510 4.480 -0.000 0.000 0.226 307 M C 1.789 178.053 176.300 -0.060 0.000 1.392 307 M CA 1.944 57.222 55.300 -0.036 0.000 1.234 307 M CB -0.575 32.010 32.600 -0.025 0.000 0.876 307 M HN 0.243 nan 8.290 nan 0.000 0.622 308 Q N 1.574 121.345 119.800 -0.049 0.000 2.404 308 Q HA 0.178 4.518 4.340 -0.000 0.000 0.272 308 Q C 0.926 176.908 176.000 -0.031 0.000 0.939 308 Q CA 0.563 56.338 55.803 -0.048 0.000 0.945 308 Q CB -1.818 26.902 28.738 -0.029 0.000 1.195 308 Q HN 0.759 nan 8.270 nan 0.000 0.415 309 N N -1.335 117.345 118.700 -0.034 0.000 2.336 309 N HA -0.076 4.664 4.740 -0.000 0.000 0.177 309 N C 0.675 176.174 175.510 -0.018 0.000 1.018 309 N CA 1.217 54.254 53.050 -0.021 0.000 0.878 309 N CB 0.642 39.118 38.487 -0.019 0.000 0.997 309 N HN 0.537 nan 8.380 nan 0.000 0.433 310 E N 0.095 120.275 120.200 -0.033 0.000 2.430 310 E HA 0.210 4.559 4.350 -0.000 0.000 0.253 310 E C -1.292 175.296 176.600 -0.020 0.000 0.903 310 E CA 0.211 56.600 56.400 -0.019 0.000 1.082 310 E CB -0.673 29.018 29.700 -0.016 0.000 1.751 310 E HN 0.293 nan 8.360 nan 0.000 0.530 311 P HA 0.230 nan 4.420 nan 0.000 0.311 311 P C -0.718 176.559 177.300 -0.039 0.000 1.351 311 P CA -0.417 62.575 63.100 -0.180 0.000 0.841 311 P CB -0.102 31.321 31.700 -0.461 0.000 2.109 312 W N -0.020 121.311 121.300 0.050 0.000 6.486 312 W HA -0.191 4.468 4.660 -0.000 0.000 0.411 312 W C 0.139 176.681 176.519 0.038 0.000 1.595 312 W CA -0.287 57.088 57.345 0.049 0.000 1.075 312 W CB -1.745 27.738 29.460 0.039 0.000 2.798 312 W HN 0.133 nan 8.180 nan 0.000 1.534 313 R N 0.397 121.017 120.500 0.201 0.000 2.596 313 R HA 0.723 5.063 4.340 -0.000 0.000 0.267 313 R C 0.314 176.687 176.300 0.122 0.000 1.026 313 R CA -1.260 54.915 56.100 0.126 0.000 1.087 313 R CB 1.100 31.438 30.300 0.063 0.000 1.132 313 R HN 0.016 nan 8.270 nan 0.000 0.531 314 I N 1.649 122.259 120.570 0.067 0.000 2.342 314 I HA 0.199 4.369 4.170 -0.000 0.000 0.291 314 I C 0.444 176.576 176.117 0.025 0.000 1.010 314 I CA -0.031 61.285 61.300 0.026 0.000 1.308 314 I CB 1.467 39.444 38.000 -0.039 0.000 1.400 314 I HN 0.840 nan 8.210 nan 0.000 0.488 315 A N 6.066 128.914 122.820 0.047 0.000 2.362 315 A HA -0.123 4.197 4.320 -0.000 0.000 0.290 315 A C -2.262 175.320 177.584 -0.003 0.000 1.441 315 A CA -0.438 51.623 52.037 0.040 0.000 0.743 315 A CB -1.883 17.166 19.000 0.082 0.000 1.125 315 A HN 0.521 nan 8.150 nan 0.000 0.378 316 P HA 0.316 nan 4.420 nan 0.000 0.274 316 P C -2.681 174.575 177.300 -0.074 0.000 1.231 316 P CA -1.716 61.365 63.100 -0.031 0.000 0.790 316 P CB 0.066 31.755 31.700 -0.018 0.000 0.951 317 P HA 0.141 nan 4.420 nan 0.000 0.244 317 P C -0.330 176.894 177.300 -0.128 0.000 1.723 317 P CA 0.426 63.465 63.100 -0.102 0.000 1.110 317 P CB -0.269 31.386 31.700 -0.075 0.000 1.972 318 L N 2.373 123.487 121.223 -0.182 0.000 2.375 318 L HA 0.286 4.626 4.340 -0.000 0.000 0.268 318 L C 1.124 177.810 176.870 -0.306 0.000 1.058 318 L CA -1.165 53.543 54.840 -0.221 0.000 0.803 318 L CB 0.493 42.386 42.059 -0.277 0.000 1.212 318 L HN -0.015 nan 8.230 nan 0.000 0.451 319 L N 1.154 122.207 121.223 -0.284 0.000 3.737 319 L HA -0.231 4.108 4.340 -0.000 0.000 0.418 319 L C 0.218 176.869 176.870 -0.364 0.000 1.216 319 L CA 0.917 55.530 54.840 -0.380 0.000 0.915 319 L CB -1.712 39.928 42.059 -0.699 0.000 1.834 319 L HN 0.626 nan 8.230 nan 0.000 0.943 320 E N -0.149 119.896 120.200 -0.257 0.000 2.201 320 E HA 0.162 4.512 4.350 -0.000 0.000 0.272 320 E C 0.075 176.514 176.600 -0.267 0.000 1.228 320 E CA -0.572 55.672 56.400 -0.259 0.000 1.305 320 E CB 0.035 29.616 29.700 -0.197 0.000 1.381 320 E HN 0.307 nan 8.360 nan 0.000 0.475 321 D N 1.525 121.717 120.400 -0.347 0.000 2.488 321 D HA 0.021 4.660 4.640 -0.000 0.000 0.238 321 D C -0.049 175.856 176.300 -0.657 0.000 1.138 321 D CA 0.349 54.065 54.000 -0.473 0.000 0.873 321 D CB 0.755 41.193 40.800 -0.604 0.000 1.183 321 D HN 0.210 nan 8.370 nan 0.000 0.458 322 I N 3.599 123.827 120.570 -0.569 0.000 2.328 322 I HA 0.149 4.319 4.170 -0.000 0.000 0.287 322 I C -0.229 175.587 176.117 -0.501 0.000 1.012 322 I CA -0.716 60.341 61.300 -0.405 0.000 1.195 322 I CB -0.358 37.538 38.000 -0.174 0.000 1.350 322 I HN 0.198 nan 8.210 nan 0.000 0.464 323 Y N 4.215 124.465 120.300 -0.084 0.000 2.304 323 Y HA 0.332 4.881 4.550 -0.000 0.000 0.327 323 Y C 1.595 177.514 175.900 0.032 0.000 1.209 323 Y CA -0.302 57.791 58.100 -0.011 0.000 1.299 323 Y CB 0.837 39.351 38.460 0.090 0.000 1.249 323 Y HN 0.613 nan 8.280 nan 0.000 0.519 324 T N -1.394 113.341 114.554 0.302 0.000 2.884 324 T HA 0.192 4.542 4.350 -0.000 0.000 0.277 324 T C 0.708 175.589 174.700 0.301 0.000 0.976 324 T CA -0.518 61.731 62.100 0.248 0.000 0.956 324 T CB 0.562 69.585 68.868 0.258 0.000 1.113 324 T HN 0.542 nan 8.240 nan 0.000 0.554 325 F N 1.722 121.750 119.950 0.130 0.000 2.146 325 F HA -0.000 4.526 4.527 -0.000 0.000 0.298 325 F C 2.525 178.443 175.800 0.196 0.000 1.096 325 F CA 1.901 59.985 58.000 0.139 0.000 1.275 325 F CB -0.588 38.467 39.000 0.090 0.000 1.008 325 F HN 0.879 nan 8.300 nan 0.000 0.480 326 E N -0.578 119.689 120.200 0.111 0.000 2.160 326 E HA -0.246 4.104 4.350 -0.000 0.000 0.195 326 E C 1.474 178.223 176.600 0.248 0.000 0.991 326 E CA 1.624 58.081 56.400 0.096 0.000 0.810 326 E CB -0.716 29.127 29.700 0.238 0.000 0.742 326 E HN 0.382 nan 8.360 nan 0.000 0.466 327 D N 1.406 122.013 120.400 0.345 0.000 2.144 327 D HA -0.082 4.558 4.640 -0.000 0.000 0.200 327 D C 2.032 178.406 176.300 0.124 0.000 0.978 327 D CA 1.546 55.798 54.000 0.420 0.000 0.833 327 D CB -0.284 40.813 40.800 0.495 0.000 0.961 327 D HN 0.378 nan 8.370 nan 0.000 0.470 328 A N 0.748 123.570 122.820 0.003 0.000 1.933 328 A HA -0.104 4.216 4.320 -0.000 0.000 0.218 328 A C 2.362 179.836 177.584 -0.183 0.000 1.175 328 A CA 0.821 52.794 52.037 -0.106 0.000 0.628 328 A CB -0.722 18.238 19.000 -0.067 0.000 0.814 328 A HN 0.192 nan 8.150 nan 0.000 0.444 329 L N -1.172 119.912 121.223 -0.232 0.000 2.046 329 L HA -0.164 4.176 4.340 -0.000 0.000 0.208 329 L C 2.529 179.360 176.870 -0.065 0.000 1.077 329 L CA 1.111 55.867 54.840 -0.140 0.000 0.747 329 L CB -0.575 41.371 42.059 -0.188 0.000 0.896 329 L HN 0.434 nan 8.230 nan 0.000 0.432 330 L N -0.560 120.603 121.223 -0.100 0.000 2.027 330 L HA -0.127 4.213 4.340 -0.000 0.000 0.206 330 L C 2.432 179.263 176.870 -0.065 0.000 1.074 330 L CA 1.502 56.242 54.840 -0.167 0.000 0.745 330 L CB -0.369 41.446 42.059 -0.408 0.000 0.898 330 L HN -0.092 nan 8.230 nan 0.000 0.433 331 V N 0.314 120.223 119.914 -0.009 0.000 2.324 331 V HA -0.310 3.810 4.120 -0.000 0.000 0.250 331 V C 2.596 178.678 176.094 -0.020 0.000 1.060 331 V CA 1.944 64.292 62.300 0.080 0.000 1.042 331 V CB -1.752 30.099 31.823 0.046 0.000 0.650 331 V HN 0.662 nan 8.190 nan 0.000 0.450 332 G N -0.382 108.333 108.800 -0.141 0.000 2.480 332 G HA2 -0.246 3.713 3.960 -0.000 0.000 0.216 332 G HA3 -0.246 3.713 3.960 -0.000 0.000 0.216 332 G C 1.588 176.584 174.900 0.159 0.000 1.200 332 G CA 1.148 46.167 45.100 -0.135 0.000 0.782 332 G HN 0.465 nan 8.290 nan 0.000 0.554 333 L N -0.108 121.177 121.223 0.103 0.000 2.043 333 L HA -0.134 4.206 4.340 -0.000 0.000 0.212 333 L C 3.148 179.993 176.870 -0.041 0.000 1.075 333 L CA 1.265 56.133 54.840 0.047 0.000 0.752 333 L CB -0.271 41.771 42.059 -0.029 0.000 0.891 333 L HN 0.256 nan 8.230 nan 0.000 0.432 334 M N -1.018 118.521 119.600 -0.101 0.000 2.117 334 M HA -0.234 4.246 4.480 -0.000 0.000 0.262 334 M C 2.306 178.370 176.300 -0.392 0.000 1.065 334 M CA 1.760 56.918 55.300 -0.236 0.000 1.114 334 M CB -0.382 32.076 32.600 -0.238 0.000 1.361 334 M HN 0.232 nan 8.290 nan 0.000 0.408 335 L N 0.025 121.051 121.223 -0.328 0.000 2.046 335 L HA -0.213 4.127 4.340 -0.000 0.000 0.208 335 L C 2.333 179.079 176.870 -0.206 0.000 1.077 335 L CA 1.205 55.858 54.840 -0.312 0.000 0.747 335 L CB -0.548 41.433 42.059 -0.130 0.000 0.896 335 L HN 0.284 nan 8.230 nan 0.000 0.432 336 I N -0.667 119.855 120.570 -0.080 0.000 2.208 336 I HA -0.299 3.870 4.170 -0.000 0.000 0.245 336 I C 2.443 178.512 176.117 -0.079 0.000 1.097 336 I CA 1.582 62.846 61.300 -0.060 0.000 1.363 336 I CB -0.595 37.431 38.000 0.043 0.000 1.051 336 I HN 0.309 nan 8.210 nan 0.000 0.413 337 T N 1.401 115.906 114.554 -0.082 0.000 2.737 337 T HA -0.111 4.239 4.350 -0.000 0.000 0.265 337 T C 1.977 176.678 174.700 0.002 0.000 1.038 337 T CA 1.157 63.244 62.100 -0.021 0.000 1.144 337 T CB -0.379 68.477 68.868 -0.019 0.000 0.866 337 T HN 0.229 nan 8.240 nan 0.000 0.434 338 L N 0.283 121.405 121.223 -0.168 0.000 2.013 338 L HA -0.166 4.174 4.340 -0.000 0.000 0.212 338 L C 2.724 179.529 176.870 -0.107 0.000 1.073 338 L CA 1.583 56.308 54.840 -0.191 0.000 0.753 338 L CB -0.616 41.186 42.059 -0.427 0.000 0.890 338 L HN 0.298 nan 8.230 nan 0.000 0.432 339 M N -0.735 118.776 119.600 -0.149 0.000 2.159 339 M HA -0.215 4.265 4.480 -0.000 0.000 0.263 339 M C 2.198 178.446 176.300 -0.088 0.000 1.063 339 M CA 1.642 56.869 55.300 -0.122 0.000 1.110 339 M CB -0.345 32.169 32.600 -0.143 0.000 1.374 339 M HN 0.084 nan 8.290 nan 0.000 0.411 340 K N -0.488 119.844 120.400 -0.113 0.000 2.211 340 K HA -0.120 4.200 4.320 -0.000 0.000 0.204 340 K C 0.578 176.965 176.600 -0.355 0.000 1.047 340 K CA 0.858 57.005 56.287 -0.233 0.000 0.935 340 K CB -0.139 32.169 32.500 -0.319 0.000 0.728 340 K HN 0.532 nan 8.250 nan 0.000 0.452 341 H N -1.166 117.893 119.070 -0.019 0.000 2.502 341 H HA 0.255 4.811 4.556 -0.000 0.000 0.268 341 H C 0.658 175.990 175.328 0.006 0.000 1.177 341 H CA -0.092 55.961 56.048 0.008 0.000 0.961 341 H CB 0.724 30.498 29.762 0.019 0.000 1.737 341 H HN 0.119 nan 8.280 nan 0.000 0.569 342 A N 0.966 123.815 122.820 0.049 0.000 2.206 342 A HA -0.114 4.206 4.320 -0.000 0.000 0.211 342 A C 1.944 179.552 177.584 0.040 0.000 1.158 342 A CA 0.897 52.943 52.037 0.015 0.000 0.761 342 A CB -0.027 18.955 19.000 -0.029 0.000 0.801 342 A HN 0.432 nan 8.150 nan 0.000 0.473 343 D N -1.187 119.261 120.400 0.080 0.000 2.323 343 D HA -0.078 4.561 4.640 -0.000 0.000 0.209 343 D C 1.574 177.993 176.300 0.200 0.000 0.973 343 D CA 0.492 54.557 54.000 0.107 0.000 0.874 343 D CB -0.092 40.775 40.800 0.112 0.000 0.930 343 D HN 0.287 nan 8.370 nan 0.000 0.521 344 R N -0.005 120.626 120.500 0.219 0.000 2.276 344 R HA 0.344 4.684 4.340 -0.000 0.000 0.195 344 R C 0.794 177.265 176.300 0.284 0.000 0.908 344 R CA -0.149 56.143 56.100 0.320 0.000 1.083 344 R CB 0.569 31.000 30.300 0.219 0.000 1.182 344 R HN 0.197 nan 8.270 nan 0.000 0.608 345 I N 3.029 123.701 120.570 0.171 0.000 2.363 345 I HA 0.073 4.243 4.170 -0.000 0.000 0.292 345 I C 0.998 177.146 176.117 0.052 0.000 1.075 345 I CA 0.201 61.572 61.300 0.119 0.000 1.333 345 I CB 0.743 38.794 38.000 0.085 0.000 1.415 345 I HN -0.215 nan 8.210 nan 0.000 0.502 346 K N 6.416 126.851 120.400 0.058 0.000 2.412 346 K HA 0.454 4.774 4.320 -0.000 0.000 0.202 346 K C 0.056 176.598 176.600 -0.096 0.000 1.102 346 K CA 0.371 56.648 56.287 -0.017 0.000 1.027 346 K CB 1.275 33.798 32.500 0.037 0.000 0.931 346 K HN 0.489 nan 8.250 nan 0.000 0.557 347 I N 0.305 120.791 120.570 -0.138 0.000 2.569 347 I HA 0.447 4.616 4.170 -0.000 0.000 0.290 347 I C -0.437 175.660 176.117 -0.035 0.000 1.088 347 I CA -0.758 60.452 61.300 -0.150 0.000 1.047 347 I CB 2.242 40.059 38.000 -0.306 0.000 1.237 347 I HN -0.074 nan 8.210 nan 0.000 0.421 348 A N 3.255 126.095 122.820 0.033 0.000 5.168 348 A HA 0.821 5.141 4.320 -0.000 0.000 0.202 348 A C -0.972 176.731 177.584 0.198 0.000 0.857 348 A CA -0.297 51.829 52.037 0.148 0.000 0.757 348 A CB 1.393 20.599 19.000 0.343 0.000 1.957 348 A HN 0.722 nan 8.150 nan 0.000 0.959 349 C N -0.723 118.768 119.300 0.317 0.000 2.311 349 C HA 0.177 4.637 4.460 -0.000 0.000 0.369 349 C C -0.663 174.235 174.990 -0.153 0.000 1.052 349 C CA -0.486 58.621 59.018 0.148 0.000 0.580 349 C CB -1.927 25.862 27.740 0.082 0.000 1.492 349 C HN 1.008 nan 8.230 nan 0.000 0.786 350 L N 2.822 123.806 121.223 -0.399 0.000 2.534 350 L HA 0.556 4.896 4.340 -0.000 0.000 0.271 350 L C 0.464 176.998 176.870 -0.560 0.000 1.178 350 L CA 0.975 55.142 54.840 -1.122 0.000 0.907 350 L CB 0.559 41.983 42.059 -1.058 0.000 1.164 350 L HN 0.545 nan 8.230 nan 0.000 0.482 351 A N 6.282 128.822 122.820 -0.466 0.000 2.249 351 A HA 0.637 4.957 4.320 -0.000 0.000 0.314 351 A C -0.293 177.187 177.584 -0.175 0.000 1.290 351 A CA -0.512 51.476 52.037 -0.082 0.000 0.893 351 A CB 0.427 19.574 19.000 0.245 0.000 1.165 351 A HN 0.871 nan 8.150 nan 0.000 0.530 352 Q N 0.973 120.607 119.800 -0.276 0.000 2.962 352 Q HA 0.427 4.766 4.340 -0.000 0.000 0.282 352 Q C 0.380 176.188 176.000 -0.319 0.000 1.058 352 Q CA -1.002 54.605 55.803 -0.327 0.000 0.854 352 Q CB 0.985 29.403 28.738 -0.534 0.000 1.441 352 Q HN 0.588 nan 8.270 nan 0.000 0.497 353 L N 0.144 121.199 121.223 -0.280 0.000 2.102 353 L HA 0.199 4.539 4.340 -0.000 0.000 0.202 353 L C 0.013 176.760 176.870 -0.204 0.000 1.076 353 L CA 1.545 56.254 54.840 -0.218 0.000 0.761 353 L CB 0.628 42.638 42.059 -0.082 0.000 0.921 353 L HN 0.419 nan 8.230 nan 0.000 0.444 354 I N 0.735 121.165 120.570 -0.233 0.000 2.447 354 I HA 0.304 4.474 4.170 -0.000 0.000 0.287 354 I C 0.416 176.362 176.117 -0.286 0.000 1.023 354 I CA -0.385 60.779 61.300 -0.226 0.000 1.083 354 I CB 1.090 38.971 38.000 -0.199 0.000 1.245 354 I HN 0.204 nan 8.210 nan 0.000 0.434 355 N N 3.050 121.580 118.700 -0.283 0.000 2.308 355 N HA -0.198 4.542 4.740 -0.000 0.000 0.217 355 N C 0.426 175.739 175.510 -0.329 0.000 0.387 355 N CA 1.586 54.458 53.050 -0.298 0.000 4.100 355 N CB -0.907 37.421 38.487 -0.266 0.000 0.810 355 N HN 0.415 nan 8.380 nan 0.000 0.245 356 V N 4.495 124.180 119.914 -0.381 0.000 2.421 356 V HA 0.114 4.234 4.120 -0.000 0.000 0.271 356 V C 1.312 177.145 176.094 -0.435 0.000 1.031 356 V CA 0.458 62.480 62.300 -0.464 0.000 1.032 356 V CB -0.737 30.742 31.823 -0.573 0.000 1.009 356 V HN 0.425 nan 8.190 nan 0.000 0.477 357 I N 2.822 123.138 120.570 -0.423 0.000 3.088 357 I HA -0.215 3.955 4.170 -0.000 0.000 0.126 357 I C 0.223 176.299 176.117 -0.069 0.000 0.929 357 I CA 0.748 61.905 61.300 -0.238 0.000 2.771 357 I CB -1.277 36.516 38.000 -0.345 0.000 0.874 357 I HN 0.623 nan 8.210 nan 0.000 0.349 358 A N 5.486 128.285 122.820 -0.035 0.000 2.413 358 A HA 0.913 5.233 4.320 -0.000 0.000 0.307 358 A C -1.731 175.813 177.584 -0.066 0.000 1.087 358 A CA -1.304 50.656 52.037 -0.128 0.000 0.750 358 A CB 1.536 20.396 19.000 -0.233 0.000 1.296 358 A HN 0.339 nan 8.150 nan 0.000 0.423 359 P HA 0.101 nan 4.420 nan 0.000 0.231 359 P C -0.031 177.244 177.300 -0.043 0.000 1.168 359 P CA 0.927 63.971 63.100 -0.094 0.000 0.779 359 P CB 0.162 31.727 31.700 -0.224 0.000 0.844 360 I N -0.190 120.295 120.570 -0.140 0.000 2.433 360 I HA 0.299 4.469 4.170 -0.000 0.000 0.292 360 I C -0.561 175.339 176.117 -0.361 0.000 1.001 360 I CA -1.014 60.168 61.300 -0.197 0.000 1.119 360 I CB 2.806 40.763 38.000 -0.071 0.000 1.289 360 I HN -0.388 nan 8.210 nan 0.000 0.438 361 V N 4.131 123.690 119.914 -0.590 0.000 2.577 361 V HA 0.438 4.558 4.120 -0.000 0.000 0.303 361 V C -0.018 175.767 176.094 -0.516 0.000 1.042 361 V CA -0.588 61.314 62.300 -0.664 0.000 0.872 361 V CB 2.313 33.470 31.823 -1.110 0.000 0.998 361 V HN 0.846 nan 8.190 nan 0.000 0.423 362 T N 0.118 114.516 114.554 -0.260 0.000 2.907 362 T HA 0.504 4.854 4.350 -0.000 0.000 0.284 362 T C 0.655 175.337 174.700 -0.031 0.000 1.004 362 T CA -0.382 61.655 62.100 -0.105 0.000 1.063 362 T CB 2.409 71.238 68.868 -0.066 0.000 0.992 362 T HN 0.573 nan 8.240 nan 0.000 0.483 363 E N 1.290 121.535 120.200 0.075 0.000 1.999 363 E HA 0.028 4.378 4.350 -0.000 0.000 0.194 363 E C 0.269 176.895 176.600 0.044 0.000 0.995 363 E CA 1.189 57.664 56.400 0.124 0.000 0.825 363 E CB 0.252 30.035 29.700 0.138 0.000 0.777 363 E HN 0.591 nan 8.360 nan 0.000 0.459 364 R N -0.130 120.382 120.500 0.020 0.000 3.599 364 R HA 0.003 4.343 4.340 -0.000 0.000 0.310 364 R C -1.370 174.928 176.300 -0.003 0.000 1.004 364 R CA 0.499 56.599 56.100 -0.001 0.000 1.105 364 R CB -0.636 29.663 30.300 -0.001 0.000 1.350 364 R HN 0.687 nan 8.270 nan 0.000 0.412 365 N N 0.806 119.501 118.700 -0.009 0.000 2.698 365 N HA -0.248 4.492 4.740 -0.000 0.000 0.258 365 N C -0.127 175.378 175.510 -0.008 0.000 0.978 365 N CA 1.259 54.304 53.050 -0.009 0.000 0.777 365 N CB -0.628 37.854 38.487 -0.009 0.000 0.907 365 N HN 0.769 nan 8.380 nan 0.000 0.543 366 G N -1.735 107.062 108.800 -0.005 0.000 1.873 366 G HA2 0.525 4.484 3.960 -0.000 0.000 0.199 366 G HA3 0.525 4.484 3.960 -0.000 0.000 0.199 366 G C 0.131 175.032 174.900 0.002 0.000 1.821 366 G CA -0.027 45.072 45.100 -0.002 0.000 0.955 366 G HN 0.815 nan 8.290 nan 0.000 0.616 367 G N 0.141 108.950 108.800 0.015 0.000 3.432 367 G HA2 0.971 4.931 3.960 -0.000 0.000 0.124 367 G HA3 0.971 4.931 3.960 -0.000 0.000 0.124 367 G C 0.089 175.016 174.900 0.045 0.000 1.237 367 G CA 1.570 46.689 45.100 0.031 0.000 1.347 367 G HN 2.450 nan 8.290 nan 0.000 0.654 368 A N -1.709 121.157 122.820 0.077 0.000 2.550 368 A HA 0.810 5.130 4.320 -0.000 0.000 0.295 368 A C -0.147 177.529 177.584 0.153 0.000 1.001 368 A CA 0.973 53.070 52.037 0.099 0.000 0.660 368 A CB 0.198 19.224 19.000 0.044 0.000 1.308 368 A HN 2.595 nan 8.150 nan 0.000 0.426 369 A N 0.275 123.179 122.820 0.139 0.000 2.244 369 A HA 0.335 4.655 4.320 -0.000 0.000 0.605 369 A C -0.311 177.398 177.584 0.207 0.000 0.381 369 A CA 1.039 53.117 52.037 0.068 0.000 0.288 369 A CB -1.732 17.291 19.000 0.039 0.000 3.501 369 A HN 2.592 nan 8.150 nan 0.000 0.485 370 W N 0.529 121.784 121.300 -0.074 0.000 2.959 370 W HA 0.714 5.374 4.660 -0.000 0.000 0.358 370 W C -0.660 175.772 176.519 -0.146 0.000 1.228 370 W CA -1.218 56.063 57.345 -0.107 0.000 1.183 370 W CB 0.569 29.979 29.460 -0.084 0.000 1.467 370 W HN 0.793 nan 8.180 nan 0.000 0.578 371 R N 2.062 122.582 120.500 0.033 0.000 2.255 371 R HA 0.252 4.592 4.340 -0.000 0.000 0.326 371 R C 0.482 176.809 176.300 0.045 0.000 0.986 371 R CA -0.759 55.194 56.100 -0.246 0.000 0.847 371 R CB 1.896 31.755 30.300 -0.734 0.000 1.111 371 R HN 0.289 nan 8.270 nan 0.000 0.452 372 Q N 0.690 120.466 119.800 -0.039 0.000 2.443 372 Q HA -0.010 4.330 4.340 -0.000 0.000 0.232 372 Q C 1.418 177.523 176.000 0.174 0.000 1.026 372 Q CA 0.440 56.327 55.803 0.140 0.000 0.924 372 Q CB 1.085 29.889 28.738 0.110 0.000 1.256 372 Q HN 0.750 nan 8.270 nan 0.000 0.519 373 T N -1.808 112.900 114.554 0.257 0.000 2.759 373 T HA -0.201 4.149 4.350 -0.000 0.000 0.269 373 T C 1.771 176.567 174.700 0.160 0.000 1.042 373 T CA 1.919 64.174 62.100 0.258 0.000 1.140 373 T CB -0.507 68.535 68.868 0.290 0.000 0.864 373 T HN 0.704 nan 8.240 nan 0.000 0.455 374 I N -1.896 118.707 120.570 0.055 0.000 2.916 374 I HA 0.142 4.312 4.170 -0.000 0.000 0.267 374 I C 2.172 178.254 176.117 -0.059 0.000 1.263 374 I CA 0.549 61.798 61.300 -0.085 0.000 1.471 374 I CB -0.877 36.927 38.000 -0.326 0.000 1.089 374 I HN 0.086 nan 8.210 nan 0.000 0.468 375 F N 2.001 121.830 119.950 -0.202 0.000 2.065 375 F HA -0.270 4.257 4.527 -0.000 0.000 0.298 375 F C 2.107 177.803 175.800 -0.174 0.000 1.112 375 F CA 1.844 59.684 58.000 -0.267 0.000 1.212 375 F CB -0.491 38.231 39.000 -0.463 0.000 0.975 375 F HN 0.013 nan 8.300 nan 0.000 0.476 376 Y N 0.093 120.560 120.300 0.278 0.000 2.163 376 Y HA -0.044 4.505 4.550 -0.000 0.000 0.288 376 Y C -0.383 175.337 175.900 -0.301 0.000 1.136 376 Y CA 0.998 59.139 58.100 0.069 0.000 1.147 376 Y CB -2.508 35.974 38.460 0.038 0.000 0.987 376 Y HN 0.111 nan 8.280 nan 0.000 0.509 377 P HA -0.209 nan 4.420 nan 0.000 0.216 377 P C 1.580 178.736 177.300 -0.240 0.000 1.150 377 P CA 1.515 64.131 63.100 -0.807 0.000 0.837 377 P CB -0.275 30.820 31.700 -1.009 0.000 0.786 378 F N 0.666 120.489 119.950 -0.212 0.000 2.102 378 F HA -0.182 4.345 4.527 -0.000 0.000 0.298 378 F C 2.326 178.079 175.800 -0.078 0.000 1.105 378 F CA 1.703 59.644 58.000 -0.099 0.000 1.239 378 F CB -0.657 38.241 39.000 -0.169 0.000 0.991 378 F HN -0.213 nan 8.300 nan 0.000 0.474 379 M N -0.956 118.687 119.600 0.072 0.000 2.213 379 M HA -0.180 4.300 4.480 -0.000 0.000 0.263 379 M C 1.750 178.148 176.300 0.164 0.000 1.062 379 M CA 1.820 57.161 55.300 0.069 0.000 1.105 379 M CB -0.822 31.896 32.600 0.196 0.000 1.385 379 M HN 0.044 nan 8.290 nan 0.000 0.417 380 H N 1.026 120.223 119.070 0.212 0.000 2.326 380 H HA 0.143 4.699 4.556 -0.000 0.000 0.301 380 H C 2.433 178.003 175.328 0.403 0.000 1.081 380 H CA 1.913 58.230 56.048 0.448 0.000 1.334 380 H CB -0.763 29.522 29.762 0.872 0.000 1.385 380 H HN 0.598 nan 8.280 nan 0.000 0.504 381 A N -0.394 122.656 122.820 0.384 0.000 1.902 381 A HA -0.176 4.144 4.320 -0.000 0.000 0.217 381 A C 2.624 179.780 177.584 -0.714 0.000 1.181 381 A CA 1.963 53.975 52.037 -0.041 0.000 0.623 381 A CB -0.865 18.065 19.000 -0.116 0.000 0.818 381 A HN 0.400 nan 8.150 nan 0.000 0.443 382 S N -1.239 113.868 115.700 -0.988 0.000 2.447 382 S HA -0.097 4.372 4.470 -0.000 0.000 0.233 382 S C 1.953 176.154 174.600 -0.666 0.000 1.006 382 S CA 1.709 59.126 58.200 -1.305 0.000 0.957 382 S CB -0.209 62.499 63.200 -0.820 0.000 0.773 382 S HN 0.638 nan 8.310 nan 0.000 0.507 383 K N -1.044 119.074 120.400 -0.470 0.000 2.190 383 K HA 0.084 4.404 4.320 -0.000 0.000 0.202 383 K C 1.017 177.383 176.600 -0.390 0.000 1.045 383 K CA 0.627 56.623 56.287 -0.485 0.000 0.976 383 K CB -0.109 31.947 32.500 -0.740 0.000 0.849 383 K HN 0.387 nan 8.250 nan 0.000 0.468 384 Y N -0.227 120.092 120.300 0.031 0.000 2.482 384 Y HA 0.285 4.835 4.550 -0.000 0.000 0.270 384 Y C 1.193 177.208 175.900 0.191 0.000 1.152 384 Y CA 0.078 58.221 58.100 0.071 0.000 1.292 384 Y CB 0.649 39.106 38.460 -0.004 0.000 1.070 384 Y HN 0.077 nan 8.280 nan 0.000 0.528 385 G N 1.377 110.345 108.800 0.280 0.000 4.403 385 G HA2 0.323 4.283 3.960 -0.000 0.000 0.297 385 G HA3 0.323 4.283 3.960 -0.000 0.000 0.297 385 G C -0.041 174.971 174.900 0.187 0.000 1.325 385 G CA -0.477 44.791 45.100 0.280 0.000 1.378 385 G HN -0.127 nan 8.290 nan 0.000 0.595 386 R N 0.257 120.840 120.500 0.137 0.000 2.534 386 R HA 0.768 5.108 4.340 -0.000 0.000 0.301 386 R C 0.529 176.870 176.300 0.068 0.000 0.961 386 R CA 0.286 56.447 56.100 0.102 0.000 0.871 386 R CB 1.827 32.156 30.300 0.048 0.000 1.170 386 R HN 0.594 nan 8.270 nan 0.000 0.446 387 G N 2.534 111.365 108.800 0.051 0.000 2.433 387 G HA2 -0.132 3.827 3.960 -0.000 0.000 0.211 387 G HA3 -0.132 3.827 3.960 -0.000 0.000 0.211 387 G C -0.912 174.005 174.900 0.029 0.000 1.214 387 G CA -0.726 44.379 45.100 0.008 0.000 1.271 387 G HN 0.417 nan 8.290 nan 0.000 0.503 388 I N 1.360 121.959 120.570 0.048 0.000 2.436 388 I HA 0.536 4.706 4.170 -0.000 0.000 0.289 388 I C -0.023 176.164 176.117 0.117 0.000 1.010 388 I CA -1.077 60.274 61.300 0.085 0.000 1.098 388 I CB 2.187 40.258 38.000 0.118 0.000 1.266 388 I HN 0.292 nan 8.210 nan 0.000 0.434 389 V N 6.920 126.888 119.914 0.090 0.000 2.461 389 V HA 0.272 4.392 4.120 -0.000 0.000 0.275 389 V C 0.005 176.150 176.094 0.085 0.000 1.047 389 V CA -0.480 61.868 62.300 0.079 0.000 0.955 389 V CB 1.170 33.017 31.823 0.039 0.000 0.988 389 V HN 0.345 nan 8.190 nan 0.000 0.471 390 L N 3.943 125.213 121.223 0.079 0.000 2.325 390 L HA 0.419 4.759 4.340 -0.000 0.000 0.279 390 L C 0.377 177.254 176.870 0.012 0.000 1.054 390 L CA -0.024 54.857 54.840 0.068 0.000 0.804 390 L CB 1.173 43.264 42.059 0.053 0.000 1.200 390 L HN 0.552 nan 8.230 nan 0.000 0.436 391 Q N 4.667 124.457 119.800 -0.016 0.000 2.271 391 Q HA 0.143 4.483 4.340 -0.000 0.000 0.273 391 Q C -2.165 173.724 176.000 -0.184 0.000 1.051 391 Q CA -1.321 54.385 55.803 -0.162 0.000 0.901 391 Q CB 0.852 29.308 28.738 -0.469 0.000 1.174 391 Q HN 0.253 nan 8.270 nan 0.000 0.385 392 P HA 0.084 nan 4.420 nan 0.000 0.274 392 P C -0.634 176.592 177.300 -0.125 0.000 1.470 392 P CA -0.190 62.847 63.100 -0.105 0.000 1.001 392 P CB 0.285 31.942 31.700 -0.072 0.000 1.332 393 V N 6.014 125.849 119.914 -0.133 0.000 2.313 393 V HA 0.176 4.296 4.120 -0.000 0.000 0.252 393 V C 0.722 176.774 176.094 -0.071 0.000 1.112 393 V CA -0.175 62.053 62.300 -0.120 0.000 0.984 393 V CB -0.693 31.050 31.823 -0.133 0.000 1.157 393 V HN 0.353 nan 8.190 nan 0.000 0.493 394 I N 3.412 123.948 120.570 -0.057 0.000 2.377 394 I HA 0.431 4.601 4.170 -0.000 0.000 0.293 394 I C 0.204 176.306 176.117 -0.024 0.000 0.987 394 I CA -0.405 60.874 61.300 -0.035 0.000 1.185 394 I CB 1.431 39.415 38.000 -0.027 0.000 1.341 394 I HN 0.364 nan 8.210 nan 0.000 0.455 395 N N 4.273 122.963 118.700 -0.015 0.000 2.936 395 N HA 0.189 4.929 4.740 -0.000 0.000 0.243 395 N C -1.034 174.478 175.510 0.003 0.000 1.149 395 N CA -0.100 52.946 53.050 -0.007 0.000 0.914 395 N CB 0.851 39.334 38.487 -0.007 0.000 1.179 395 N HN 0.609 nan 8.380 nan 0.000 0.502 396 S N 2.450 118.155 115.700 0.008 0.000 2.525 396 S HA 0.622 5.092 4.470 -0.000 0.000 0.290 396 S C -2.382 172.236 174.600 0.030 0.000 1.152 396 S CA -1.282 56.931 58.200 0.021 0.000 1.072 396 S CB 0.421 63.636 63.200 0.026 0.000 1.027 396 S HN 0.355 nan 8.310 nan 0.000 0.500 397 P HA 0.213 nan 4.420 nan 0.000 0.267 397 P C -0.702 176.641 177.300 0.073 0.000 1.201 397 P CA -0.019 63.112 63.100 0.052 0.000 0.775 397 P CB 0.136 31.871 31.700 0.058 0.000 0.854 398 L N 2.472 123.736 121.223 0.069 0.000 2.334 398 L HA 0.841 5.181 4.340 -0.000 0.000 0.273 398 L C 0.128 177.072 176.870 0.123 0.000 1.013 398 L CA -0.936 53.940 54.840 0.060 0.000 0.816 398 L CB 0.669 nan 42.059 nan 0.000 1.278 398 L HN 0.887 nan 8.230 nan 0.000 0.431 399 H N -1.216 117.872 119.070 0.031 0.000 2.961 399 H HA 0.862 5.418 4.556 -0.000 0.000 0.371 399 H C -1.731 173.623 175.328 0.044 0.000 1.190 399 H CA -0.926 55.144 56.048 0.037 0.000 1.138 399 H CB 1.538 31.328 29.762 0.047 0.000 1.816 399 H HN 0.546 nan 8.280 nan 0.000 0.551 400 D N 0.981 121.420 120.400 0.064 0.000 2.228 400 D HA 0.373 5.013 4.640 -0.000 0.000 0.247 400 D C 0.293 176.683 176.300 0.150 0.000 0.995 400 D CA -0.275 53.739 54.000 0.024 0.000 0.903 400 D CB 2.045 42.868 40.800 0.038 0.000 1.205 400 D HN 0.810 nan 8.370 nan 0.000 0.459 401 T N -3.134 111.491 114.554 0.119 0.000 2.768 401 T HA 0.350 4.700 4.350 -0.000 0.000 0.268 401 T C 1.297 176.059 174.700 0.104 0.000 0.969 401 T CA -0.212 61.986 62.100 0.164 0.000 1.008 401 T CB 0.687 69.682 68.868 0.212 0.000 1.371 401 T HN 0.190 nan 8.240 nan 0.000 0.587 402 S N -0.209 115.548 115.700 0.095 0.000 2.428 402 S HA 0.052 4.522 4.470 -0.000 0.000 0.230 402 S C 1.280 175.879 174.600 -0.000 0.000 1.014 402 S CA 0.441 58.670 58.200 0.048 0.000 0.957 402 S CB -0.509 62.719 63.200 0.048 0.000 0.784 402 S HN 0.729 nan 8.310 nan 0.000 0.499 403 K N -0.229 120.151 120.400 -0.032 0.000 2.520 403 K HA 0.278 4.598 4.320 -0.000 0.000 0.206 403 K C -1.006 175.337 176.600 -0.428 0.000 1.122 403 K CA -0.133 56.033 56.287 -0.202 0.000 1.045 403 K CB 0.744 33.094 32.500 -0.248 0.000 0.932 403 K HN 0.454 nan 8.250 nan 0.000 0.571 404 H N 0.874 119.941 119.070 -0.005 0.000 2.759 404 H HA 0.148 4.704 4.556 -0.000 0.000 0.354 404 H C -1.009 174.293 175.328 -0.042 0.000 1.074 404 H CA -0.920 55.112 56.048 -0.027 0.000 1.226 404 H CB 1.556 31.291 29.762 -0.045 0.000 1.648 404 H HN 0.099 nan 8.280 nan 0.000 0.529 405 E N 1.395 121.634 120.200 0.065 0.000 2.232 405 E HA 0.317 4.667 4.350 -0.000 0.000 0.264 405 E C -0.745 175.843 176.600 -0.021 0.000 0.973 405 E CA -1.060 55.346 56.400 0.010 0.000 0.849 405 E CB 1.177 30.883 29.700 0.009 0.000 1.198 405 E HN 0.461 nan 8.360 nan 0.000 0.407 406 D N 0.006 120.376 120.400 -0.050 0.000 2.697 406 D HA -0.141 4.498 4.640 -0.000 0.000 0.235 406 D C -0.666 175.569 176.300 -0.110 0.000 1.167 406 D CA 0.552 54.515 54.000 -0.062 0.000 0.656 406 D CB -1.457 39.330 40.800 -0.022 0.000 1.025 406 D HN 0.221 nan 8.370 nan 0.000 0.419 407 V N 1.274 121.040 119.914 -0.247 0.000 2.455 407 V HA 0.147 4.267 4.120 -0.000 0.000 0.273 407 V C 1.422 177.377 176.094 -0.233 0.000 1.045 407 V CA -0.271 61.843 62.300 -0.310 0.000 0.976 407 V CB 1.253 32.739 31.823 -0.562 0.000 0.993 407 V HN 0.388 nan 8.190 nan 0.000 0.475 408 T N 0.950 115.454 114.554 -0.082 0.000 2.902 408 T HA 0.047 4.396 4.350 -0.000 0.000 0.301 408 T C 0.655 175.409 174.700 0.090 0.000 1.012 408 T CA -0.446 61.656 62.100 0.004 0.000 1.151 408 T CB 0.659 69.529 68.868 0.004 0.000 0.946 408 T HN 0.635 nan 8.240 nan 0.000 0.542 409 D N 1.830 122.327 120.400 0.162 0.000 2.078 409 D HA 0.058 4.698 4.640 -0.000 0.000 0.193 409 D C 0.770 177.139 176.300 0.116 0.000 0.990 409 D CA 0.925 55.048 54.000 0.206 0.000 0.827 409 D CB -0.087 40.808 40.800 0.157 0.000 0.975 409 D HN 0.660 nan 8.370 nan 0.000 0.451 410 I N 0.241 120.857 120.570 0.075 0.000 2.440 410 I HA 0.176 4.346 4.170 -0.000 0.000 0.294 410 I C -0.511 175.629 176.117 0.039 0.000 0.995 410 I CA -0.448 60.884 61.300 0.053 0.000 1.306 410 I CB 1.382 39.404 38.000 0.036 0.000 1.407 410 I HN -0.199 nan 8.210 nan 0.000 0.501 411 E N 4.855 125.077 120.200 0.038 0.000 2.246 411 E HA 0.537 4.887 4.350 -0.000 0.000 0.266 411 E C -1.559 175.058 176.600 0.029 0.000 0.880 411 E CA -0.313 56.104 56.400 0.028 0.000 0.762 411 E CB 1.646 31.365 29.700 0.032 0.000 1.180 411 E HN 0.418 nan 8.360 nan 0.000 0.416 412 S N 2.814 118.524 115.700 0.016 0.000 2.537 412 S HA 0.793 5.263 4.470 -0.000 0.000 0.270 412 S C -1.614 172.998 174.600 0.021 0.000 1.142 412 S CA -0.308 57.903 58.200 0.019 0.000 0.870 412 S CB 1.000 64.198 63.200 -0.004 0.000 1.112 412 S HN 0.637 nan 8.310 nan 0.000 0.466 413 V N 0.470 120.422 119.914 0.064 0.000 3.147 413 V HA 1.034 5.153 4.120 -0.000 0.000 0.306 413 V C -0.382 175.788 176.094 0.128 0.000 1.209 413 V CA -0.876 61.462 62.300 0.063 0.000 1.023 413 V CB 1.156 33.002 31.823 0.037 0.000 1.059 413 V HN 1.266 nan 8.190 nan 0.000 0.435 414 A N 3.450 126.323 122.820 0.089 0.000 2.330 414 A HA 0.929 5.249 4.320 -0.000 0.000 0.327 414 A C -0.779 176.892 177.584 0.145 0.000 1.155 414 A CA -0.674 51.423 52.037 0.099 0.000 0.803 414 A CB 1.085 20.104 19.000 0.030 0.000 1.208 414 A HN 0.821 nan 8.150 nan 0.000 0.477 415 I N 2.471 123.156 120.570 0.191 0.000 2.382 415 I HA 0.176 4.346 4.170 -0.000 0.000 0.286 415 I C -1.142 175.105 176.117 0.216 0.000 1.002 415 I CA -0.385 61.038 61.300 0.206 0.000 1.135 415 I CB 1.101 39.258 38.000 0.262 0.000 1.288 415 I HN 0.721 nan 8.210 nan 0.000 0.448 416 Y N 7.229 127.566 120.300 0.063 0.000 2.404 416 Y HA 0.338 4.888 4.550 -0.000 0.000 0.344 416 Y C 0.110 176.049 175.900 0.065 0.000 0.970 416 Y CA -0.726 57.405 58.100 0.052 0.000 1.180 416 Y CB 0.592 39.068 38.460 0.027 0.000 1.138 416 Y HN 0.517 nan 8.280 nan 0.000 0.510 417 N N 6.041 124.622 118.700 -0.199 0.000 2.500 417 N HA 0.033 4.772 4.740 -0.000 0.000 0.236 417 N C 0.792 175.993 175.510 -0.515 0.000 1.022 417 N CA 0.152 53.035 53.050 -0.279 0.000 0.935 417 N CB 0.655 39.101 38.487 -0.069 0.000 1.147 417 N HN 0.990 nan 8.380 nan 0.000 0.512 418 E N 2.402 122.167 120.200 -0.725 0.000 2.106 418 E HA -0.228 4.122 4.350 -0.000 0.000 0.192 418 E C 1.038 177.523 176.600 -0.192 0.000 0.984 418 E CA 0.959 57.013 56.400 -0.576 0.000 0.806 418 E CB 0.314 29.781 29.700 -0.388 0.000 0.750 418 E HN 0.723 nan 8.360 nan 0.000 0.458 419 E N 0.956 121.068 120.200 -0.146 0.000 2.049 419 E HA -0.222 4.128 4.350 -0.000 0.000 0.198 419 E C 1.753 178.324 176.600 -0.049 0.000 1.007 419 E CA 1.933 58.290 56.400 -0.071 0.000 0.809 419 E CB 0.092 29.757 29.700 -0.057 0.000 0.749 419 E HN 0.086 nan 8.360 nan 0.000 0.450 420 K N -0.286 120.081 120.400 -0.055 0.000 2.305 420 K HA 0.014 4.333 4.320 -0.000 0.000 0.199 420 K C -0.188 176.403 176.600 -0.015 0.000 1.047 420 K CA 0.802 57.073 56.287 -0.027 0.000 0.976 420 K CB 0.263 32.756 32.500 -0.012 0.000 0.765 420 K HN 0.139 nan 8.250 nan 0.000 0.474 421 E N 0.834 121.046 120.200 0.019 0.000 2.358 421 E HA -0.180 4.169 4.350 -0.000 0.000 0.246 421 E C -1.120 175.561 176.600 0.135 0.000 1.127 421 E CA 0.412 56.884 56.400 0.120 0.000 0.726 421 E CB -1.256 28.436 29.700 -0.014 0.000 1.272 421 E HN 0.359 nan 8.360 nan 0.000 0.390 422 E N -0.726 119.621 120.200 0.245 0.000 2.393 422 E HA 0.643 4.993 4.350 -0.000 0.000 0.273 422 E C -1.027 175.775 176.600 0.336 0.000 0.918 422 E CA -0.975 55.570 56.400 0.242 0.000 0.773 422 E CB 2.649 32.393 29.700 0.074 0.000 1.275 422 E HN -0.027 nan 8.360 nan 0.000 0.451 423 V N 1.527 121.575 119.914 0.224 0.000 2.531 423 V HA 0.411 4.531 4.120 -0.000 0.000 0.301 423 V C -0.705 175.374 176.094 -0.025 0.000 1.034 423 V CA -0.737 61.636 62.300 0.121 0.000 0.865 423 V CB 2.018 33.860 31.823 0.032 0.000 0.995 423 V HN 0.714 nan 8.190 nan 0.000 0.424 424 T N 5.928 120.462 114.554 -0.033 0.000 2.771 424 T HA 0.686 5.035 4.350 -0.000 0.000 0.281 424 T C -0.317 174.245 174.700 -0.231 0.000 0.982 424 T CA -0.181 61.793 62.100 -0.211 0.000 0.978 424 T CB 1.231 69.976 68.868 -0.205 0.000 0.930 424 T HN 0.393 nan 8.240 nan 0.000 0.447 425 I N 3.437 123.779 120.570 -0.380 0.000 2.355 425 I HA 0.388 4.557 4.170 -0.000 0.000 0.288 425 I C -0.858 174.974 176.117 -0.475 0.000 0.999 425 I CA -0.755 60.375 61.300 -0.284 0.000 1.163 425 I CB 0.912 38.782 38.000 -0.216 0.000 1.316 425 I HN 0.533 nan 8.210 nan 0.000 0.454 426 F N 5.463 125.288 119.950 -0.208 0.000 2.410 426 F HA 0.693 5.220 4.527 -0.000 0.000 0.349 426 F C 0.517 176.145 175.800 -0.285 0.000 1.117 426 F CA -0.401 57.395 58.000 -0.339 0.000 1.104 426 F CB 1.442 40.298 39.000 -0.240 0.000 1.122 426 F HN 0.408 nan 8.300 nan 0.000 0.483 427 A N 2.856 125.539 122.820 -0.229 0.000 2.449 427 A HA 0.875 5.195 4.320 -0.000 0.000 0.302 427 A C -1.629 175.923 177.584 -0.053 0.000 1.048 427 A CA -0.709 51.264 52.037 -0.106 0.000 0.708 427 A CB 1.537 20.476 19.000 -0.101 0.000 1.274 427 A HN 0.494 nan 8.150 nan 0.000 0.410 428 V N 2.257 122.199 119.914 0.047 0.000 2.709 428 V HA 0.450 4.570 4.120 -0.000 0.000 0.308 428 V C -0.264 175.888 176.094 0.097 0.000 1.062 428 V CA -0.749 61.622 62.300 0.119 0.000 0.901 428 V CB 2.017 33.946 31.823 0.177 0.000 1.003 428 V HN 0.949 nan 8.190 nan 0.000 0.425 429 N N 2.838 121.604 118.700 0.110 0.000 2.321 429 N HA 0.565 5.305 4.740 -0.000 0.000 0.299 429 N C -0.606 174.962 175.510 0.097 0.000 1.048 429 N CA -0.813 52.293 53.050 0.094 0.000 0.836 429 N CB 1.380 39.920 38.487 0.088 0.000 1.269 429 N HN 0.589 nan 8.380 nan 0.000 0.486 430 R N 1.607 122.149 120.500 0.070 0.000 2.690 430 R HA -0.170 4.170 4.340 -0.000 0.000 0.306 430 R C -1.069 175.249 176.300 0.030 0.000 0.979 430 R CA 0.195 56.331 56.100 0.060 0.000 0.761 430 R CB -1.555 28.808 30.300 0.104 0.000 2.077 430 R HN 0.810 nan 8.270 nan 0.000 0.486 431 N N 1.338 120.010 118.700 -0.046 0.000 2.463 431 N HA 0.474 5.214 4.740 -0.000 0.000 0.270 431 N C 0.789 176.306 175.510 0.012 0.000 1.205 431 N CA -0.749 52.260 53.050 -0.068 0.000 0.974 431 N CB 0.635 39.053 38.487 -0.115 0.000 1.197 431 N HN 0.229 nan 8.380 nan 0.000 0.504 432 I N -0.468 120.107 120.570 0.007 0.000 5.648 432 I HA -0.291 3.879 4.170 -0.000 0.000 0.126 432 I C -0.286 175.731 176.117 -0.166 0.000 1.815 432 I CA 1.228 62.481 61.300 -0.078 0.000 2.037 432 I CB -2.282 35.683 38.000 -0.058 0.000 3.371 432 I HN 1.099 nan 8.210 nan 0.000 0.169 433 H N -1.335 117.740 119.070 0.008 0.000 1.796 433 H HA 0.078 4.633 4.556 -0.000 0.000 0.115 433 H C 0.345 175.677 175.328 0.005 0.000 0.840 433 H CA 0.510 56.560 56.048 0.004 0.000 0.411 433 H CB -0.143 29.609 29.762 -0.017 0.000 0.313 433 H HN 0.453 nan 8.280 nan 0.000 0.206 434 E N 1.887 122.160 120.200 0.121 0.000 2.266 434 E HA 0.253 4.602 4.350 -0.000 0.000 0.268 434 E C -1.393 175.239 176.600 0.054 0.000 0.879 434 E CA -0.787 55.657 56.400 0.073 0.000 0.762 434 E CB 2.005 31.738 29.700 0.055 0.000 1.199 434 E HN 0.150 nan 8.360 nan 0.000 0.422 435 D N 3.841 124.268 120.400 0.045 0.000 2.313 435 D HA 0.240 4.880 4.640 -0.000 0.000 0.239 435 D C 0.121 176.443 176.300 0.036 0.000 1.142 435 D CA -0.173 53.851 54.000 0.040 0.000 0.847 435 D CB 0.911 41.729 40.800 0.030 0.000 1.082 435 D HN 0.374 nan 8.370 nan 0.000 0.480 436 I N -1.316 119.277 120.570 0.039 0.000 2.607 436 I HA 0.520 4.689 4.170 -0.000 0.000 0.305 436 I C -0.435 175.703 176.117 0.034 0.000 0.995 436 I CA -1.173 60.148 61.300 0.035 0.000 1.148 436 I CB 2.173 40.196 38.000 0.038 0.000 1.323 436 I HN 0.022 nan 8.210 nan 0.000 0.461 437 V N 6.912 126.843 119.914 0.028 0.000 2.311 437 V HA 0.398 4.518 4.120 -0.000 0.000 0.275 437 V C -0.551 175.557 176.094 0.023 0.000 1.022 437 V CA -0.651 61.665 62.300 0.027 0.000 0.830 437 V CB 1.189 33.025 31.823 0.022 0.000 1.012 437 V HN 0.683 nan 8.190 nan 0.000 0.452 438 L N 7.582 128.820 121.223 0.024 0.000 2.278 438 L HA 0.491 4.831 4.340 -0.000 0.000 0.287 438 L C -0.179 176.698 176.870 0.012 0.000 1.072 438 L CA 0.462 55.310 54.840 0.014 0.000 0.819 438 L CB 1.518 43.580 42.059 0.005 0.000 1.176 438 L HN 0.553 nan 8.230 nan 0.000 0.435 439 V N 6.033 125.952 119.914 0.007 0.000 2.348 439 V HA 0.445 4.565 4.120 -0.000 0.000 0.270 439 V C -0.062 176.034 176.094 0.003 0.000 1.037 439 V CA -0.105 62.199 62.300 0.006 0.000 0.872 439 V CB 1.038 32.861 31.823 0.000 0.000 1.002 439 V HN 0.934 nan 8.190 nan 0.000 0.464 440 S N 5.569 121.276 115.700 0.012 0.000 2.452 440 S HA 0.294 4.764 4.470 -0.000 0.000 0.284 440 S C -0.207 174.405 174.600 0.019 0.000 1.171 440 S CA -0.429 57.778 58.200 0.011 0.000 1.064 440 S CB 0.966 64.173 63.200 0.013 0.000 0.967 440 S HN 0.853 nan 8.310 nan 0.000 0.484 441 D N 3.572 123.972 120.400 -0.000 0.000 2.524 441 D HA 0.107 4.747 4.640 -0.000 0.000 0.222 441 D C -0.466 175.830 176.300 -0.007 0.000 1.142 441 D CA -0.231 53.765 54.000 -0.006 0.000 0.973 441 D CB 0.633 41.423 40.800 -0.018 0.000 1.025 441 D HN 0.325 nan 8.370 nan 0.000 0.519 442 V N 4.628 124.554 119.914 0.020 0.000 2.488 442 V HA 0.181 4.300 4.120 -0.000 0.000 0.277 442 V C 1.484 177.561 176.094 -0.028 0.000 1.046 442 V CA -0.252 62.044 62.300 -0.008 0.000 0.986 442 V CB 1.382 33.213 31.823 0.013 0.000 0.989 442 V HN 0.380 nan 8.190 nan 0.000 0.475 443 R N 5.044 125.502 120.500 -0.070 0.000 2.070 443 R HA 0.234 4.574 4.340 -0.000 0.000 0.233 443 R C 0.885 177.143 176.300 -0.070 0.000 1.137 443 R CA 1.348 57.409 56.100 -0.065 0.000 0.945 443 R CB -0.445 29.813 30.300 -0.070 0.000 0.845 443 R HN 1.449 nan 8.270 nan 0.000 0.430 444 G N -1.469 107.259 108.800 -0.119 0.000 3.071 444 G HA2 0.118 4.078 3.960 -0.000 0.000 0.620 444 G HA3 0.118 4.078 3.960 -0.000 0.000 0.620 444 G C -0.508 174.309 174.900 -0.138 0.000 1.204 444 G CA -0.345 44.692 45.100 -0.105 0.000 1.200 444 G HN 0.194 nan 8.290 nan 0.000 0.530 445 M N -0.433 119.033 119.600 -0.225 0.000 2.537 445 M HA -0.152 4.327 4.480 -0.000 0.000 0.205 445 M C 0.585 176.870 176.300 -0.024 0.000 0.450 445 M CA 0.860 55.920 55.300 -0.400 0.000 0.553 445 M CB -1.160 31.056 32.600 -0.640 0.000 2.046 445 M HN 0.720 nan 8.290 nan 0.000 0.797 446 K N -0.202 120.251 120.400 0.088 0.000 2.298 446 K HA 0.454 4.774 4.320 -0.000 0.000 0.280 446 K C 0.262 177.040 176.600 0.297 0.000 1.032 446 K CA -0.166 56.221 56.287 0.167 0.000 0.958 446 K CB 0.478 33.034 32.500 0.093 0.000 0.978 446 K HN 0.091 nan 8.250 nan 0.000 0.472 447 D N 1.808 122.361 120.400 0.254 0.000 2.863 447 D HA 0.144 4.784 4.640 -0.000 0.000 0.323 447 D C -0.833 175.618 176.300 0.251 0.000 1.286 447 D CA -0.357 53.764 54.000 0.201 0.000 0.921 447 D CB -0.104 40.760 40.800 0.108 0.000 1.024 447 D HN 0.328 nan 8.370 nan 0.000 0.505 448 Y N 0.863 121.220 120.300 0.095 0.000 2.546 448 Y HA 0.204 4.754 4.550 -0.000 0.000 0.351 448 Y C 1.259 177.233 175.900 0.123 0.000 1.266 448 Y CA 0.304 58.438 58.100 0.057 0.000 1.487 448 Y CB 0.500 38.949 38.460 -0.019 0.000 1.365 448 Y HN 0.036 nan 8.280 nan 0.000 0.642 449 R N 1.526 122.055 120.500 0.048 0.000 2.707 449 R HA 0.337 4.676 4.340 -0.000 0.000 0.272 449 R C -1.996 174.182 176.300 -0.203 0.000 1.011 449 R CA -1.237 54.879 56.100 0.027 0.000 0.893 449 R CB 1.510 31.833 30.300 0.039 0.000 1.233 449 R HN 0.641 nan 8.270 nan 0.000 0.464 450 L N 4.544 125.669 121.223 -0.162 0.000 2.418 450 L HA 0.178 4.518 4.340 -0.000 0.000 0.274 450 L C 0.480 177.274 176.870 -0.127 0.000 1.135 450 L CA 0.535 55.250 54.840 -0.208 0.000 0.870 450 L CB 0.401 42.420 42.059 -0.066 0.000 1.154 450 L HN 0.778 nan 8.230 nan 0.000 0.462 451 L N 3.856 124.981 121.223 -0.163 0.000 2.071 451 L HA 0.166 4.506 4.340 -0.000 0.000 0.201 451 L C 0.655 177.456 176.870 -0.115 0.000 1.076 451 L CA 0.947 55.707 54.840 -0.133 0.000 0.755 451 L CB -0.005 41.961 42.059 -0.155 0.000 0.915 451 L HN 0.873 nan 8.230 nan 0.000 0.445 452 E N -2.089 118.023 120.200 -0.148 0.000 2.409 452 E HA 0.161 4.510 4.350 -0.000 0.000 0.280 452 E C -1.293 175.239 176.600 -0.114 0.000 1.079 452 E CA -0.784 55.551 56.400 -0.108 0.000 0.840 452 E CB 1.253 30.884 29.700 -0.116 0.000 1.309 452 E HN 0.098 nan 8.360 nan 0.000 0.447 453 H N 1.246 120.226 119.070 -0.151 0.000 2.792 453 H HA 0.461 5.017 4.556 -0.000 0.000 0.298 453 H C -0.903 174.347 175.328 -0.129 0.000 1.042 453 H CA -0.782 55.174 56.048 -0.153 0.000 1.300 453 H CB 0.700 30.399 29.762 -0.104 0.000 1.431 453 H HN 0.364 nan 8.280 nan 0.000 0.496 454 I N 5.423 126.027 120.570 0.057 0.000 2.365 454 I HA 0.249 4.419 4.170 -0.000 0.000 0.291 454 I C -0.366 175.864 176.117 0.189 0.000 1.004 454 I CA -0.658 60.684 61.300 0.070 0.000 1.311 454 I CB 1.510 39.481 38.000 -0.048 0.000 1.401 454 I HN 0.269 nan 8.210 nan 0.000 0.491 455 V N 7.168 127.192 119.914 0.184 0.000 2.914 455 V HA 0.541 4.661 4.120 -0.000 0.000 0.314 455 V C -1.204 175.055 176.094 0.274 0.000 1.084 455 V CA -0.736 61.682 62.300 0.197 0.000 0.963 455 V CB 2.643 34.495 31.823 0.049 0.000 1.025 455 V HN 0.513 nan 8.190 nan 0.000 0.432 456 L N 4.672 126.128 121.223 0.387 0.000 2.454 456 L HA 0.610 4.950 4.340 -0.000 0.000 0.258 456 L C -0.538 176.619 176.870 0.478 0.000 1.025 456 L CA 0.307 55.403 54.840 0.427 0.000 0.901 456 L CB 1.228 43.640 42.059 0.589 0.000 1.210 456 L HN 0.726 nan 8.230 nan 0.000 0.457 457 E N 2.170 122.480 120.200 0.184 0.000 2.288 457 E HA 0.549 4.899 4.350 -0.000 0.000 0.268 457 E C -1.507 174.827 176.600 -0.443 0.000 0.885 457 E CA -0.930 55.477 56.400 0.011 0.000 0.767 457 E CB 2.531 32.219 29.700 -0.019 0.000 1.220 457 E HN 0.495 nan 8.360 nan 0.000 0.427 458 H N 0.406 118.861 119.070 -1.025 0.000 2.974 458 H HA 0.054 4.610 4.556 -0.000 0.000 0.366 458 H C 0.196 175.257 175.328 -0.445 0.000 1.155 458 H CA -0.450 55.102 56.048 -0.826 0.000 1.186 458 H CB 1.889 31.017 29.762 -1.057 0.000 1.799 458 H HN 0.425 nan 8.280 nan 0.000 0.541 459 Q N 1.223 120.858 119.800 -0.274 0.000 2.226 459 Q HA -0.058 4.282 4.340 -0.000 0.000 0.204 459 Q C -0.385 175.675 176.000 0.101 0.000 0.975 459 Q CA 1.535 57.299 55.803 -0.065 0.000 0.866 459 Q CB 0.264 28.932 28.738 -0.116 0.000 0.915 459 Q HN 0.508 nan 8.270 nan 0.000 0.440 460 D N -1.102 119.472 120.400 0.290 0.000 2.471 460 D HA 0.165 4.805 4.640 -0.000 0.000 0.245 460 D C 0.182 176.579 176.300 0.162 0.000 1.116 460 D CA -0.238 53.870 54.000 0.180 0.000 0.853 460 D CB 0.839 41.724 40.800 0.142 0.000 1.123 460 D HN 0.173 nan 8.370 nan 0.000 0.540 461 L N 2.729 124.085 121.223 0.223 0.000 2.362 461 L HA -0.036 4.304 4.340 -0.000 0.000 0.219 461 L C 1.842 178.866 176.870 0.256 0.000 1.134 461 L CA 0.798 55.843 54.840 0.342 0.000 0.807 461 L CB -0.028 42.186 42.059 0.259 0.000 0.927 461 L HN 0.202 nan 8.230 nan 0.000 0.447 462 K N -0.313 120.180 120.400 0.155 0.000 2.358 462 K HA 0.231 4.551 4.320 -0.000 0.000 0.197 462 K C 0.480 177.120 176.600 0.067 0.000 1.025 462 K CA -0.195 56.165 56.287 0.121 0.000 1.104 462 K CB 0.604 33.159 32.500 0.092 0.000 0.855 462 K HN 0.085 nan 8.250 nan 0.000 0.531 463 I N 2.322 122.900 120.570 0.015 0.000 2.588 463 I HA 0.002 4.172 4.170 -0.000 0.000 0.283 463 I C 0.301 176.398 176.117 -0.034 0.000 1.119 463 I CA 0.276 61.517 61.300 -0.099 0.000 1.419 463 I CB 0.305 38.053 38.000 -0.419 0.000 1.394 463 I HN 0.058 nan 8.210 nan 0.000 0.562 464 R N 4.687 125.168 120.500 -0.032 0.000 2.854 464 R HA 0.422 4.761 4.340 -0.000 0.000 0.271 464 R C -0.616 175.694 176.300 0.017 0.000 0.996 464 R CA -0.959 55.152 56.100 0.019 0.000 0.961 464 R CB 1.341 31.629 30.300 -0.020 0.000 1.182 464 R HN 0.515 nan 8.270 nan 0.000 0.479 465 N N -0.086 118.675 118.700 0.102 0.000 2.476 465 N HA 0.380 5.120 4.740 -0.000 0.000 0.275 465 N C -0.701 174.632 175.510 -0.295 0.000 1.190 465 N CA -0.304 52.776 53.050 0.049 0.000 0.977 465 N CB 1.489 40.149 38.487 0.288 0.000 1.200 465 N HN 0.662 nan 8.380 nan 0.000 0.515 466 S N -2.227 113.030 115.700 -0.739 0.000 2.656 466 S HA 0.261 4.730 4.470 -0.000 0.000 0.273 466 S C 0.475 174.066 174.600 -1.682 0.000 1.168 466 S CA -0.790 56.564 58.200 -1.410 0.000 0.817 466 S CB 0.843 63.647 63.200 -0.661 0.000 1.146 466 S HN 0.159 nan 8.310 nan 0.000 0.475 467 V N 1.380 120.272 119.914 -1.703 0.000 2.688 467 V HA -0.112 4.008 4.120 -0.000 0.000 0.256 467 V C 0.891 176.706 176.094 -0.465 0.000 1.084 467 V CA 1.982 63.660 62.300 -1.038 0.000 1.103 467 V CB -1.060 30.481 31.823 -0.470 0.000 0.688 467 V HN 0.792 nan 8.190 nan 0.000 0.480 468 N N 1.028 119.481 118.700 -0.411 0.000 2.313 468 N HA 0.278 5.017 4.740 -0.000 0.000 0.207 468 N C 0.641 176.035 175.510 -0.195 0.000 1.141 468 N CA 0.897 53.805 53.050 -0.236 0.000 0.830 468 N CB 0.581 38.954 38.487 -0.190 0.000 1.008 468 N HN 0.598 nan 8.380 nan 0.000 0.481 469 G N 1.503 110.171 108.800 -0.219 0.000 2.906 469 G HA2 0.004 3.964 3.960 -0.000 0.000 0.686 469 G HA3 0.004 3.964 3.960 -0.000 0.000 0.686 469 G C -0.623 174.185 174.900 -0.152 0.000 1.170 469 G CA -0.594 44.421 45.100 -0.141 0.000 0.775 469 G HN 0.232 nan 8.290 nan 0.000 0.630 470 E N -0.210 119.967 120.200 -0.039 0.000 2.513 470 E HA -0.111 4.239 4.350 -0.000 0.000 0.220 470 E C 0.700 177.386 176.600 0.143 0.000 1.242 470 E CA 1.321 57.763 56.400 0.070 0.000 0.719 470 E CB -1.143 28.548 29.700 -0.015 0.000 1.170 470 E HN 0.648 nan 8.360 nan 0.000 0.419 471 E N -0.256 120.091 120.200 0.244 0.000 2.434 471 E HA 0.154 4.504 4.350 -0.000 0.000 0.207 471 E C -0.095 176.770 176.600 0.442 0.000 0.929 471 E CA 0.555 57.150 56.400 0.326 0.000 1.001 471 E CB 1.030 30.809 29.700 0.132 0.000 1.016 471 E HN 0.157 nan 8.360 nan 0.000 0.502 472 V N 3.197 123.362 119.914 0.418 0.000 2.313 472 V HA 0.256 4.376 4.120 -0.000 0.000 0.278 472 V C -1.019 175.395 176.094 0.533 0.000 1.017 472 V CA -0.702 61.838 62.300 0.400 0.000 0.823 472 V CB 0.074 32.141 31.823 0.406 0.000 1.010 472 V HN 0.098 nan 8.190 nan 0.000 0.443 473 Y N 4.326 124.727 120.300 0.169 0.000 2.562 473 Y HA 0.834 5.384 4.550 -0.000 0.000 0.345 473 Y C -2.979 172.836 175.900 -0.142 0.000 1.045 473 Y CA -3.920 54.127 58.100 -0.089 0.000 1.028 473 Y CB 1.360 39.800 38.460 -0.033 0.000 1.297 473 Y HN 0.364 nan 8.280 nan 0.000 0.463 474 P HA 0.216 nan 4.420 nan 0.000 0.271 474 P C -1.151 176.153 177.300 0.006 0.000 1.220 474 P CA -0.099 62.989 63.100 -0.019 0.000 0.768 474 P CB 1.337 33.120 31.700 0.138 0.000 0.848 475 K N 2.251 122.644 120.400 -0.010 0.000 2.238 475 K HA 0.350 4.670 4.320 -0.000 0.000 0.239 475 K C 0.254 176.863 176.600 0.016 0.000 0.987 475 K CA -0.765 55.508 56.287 -0.022 0.000 0.857 475 K CB 1.644 34.079 32.500 -0.109 0.000 1.154 475 K HN 0.343 nan 8.250 nan 0.000 0.439 476 N N 1.126 119.828 118.700 0.003 0.000 3.112 476 N HA 0.153 4.893 4.740 -0.000 0.000 0.270 476 N C -1.323 174.167 175.510 -0.035 0.000 1.385 476 N CA -0.099 52.950 53.050 -0.002 0.000 0.986 476 N CB 0.588 39.079 38.487 0.006 0.000 1.261 476 N HN 0.406 nan 8.380 nan 0.000 0.495 477 S N 0.952 116.605 115.700 -0.078 0.000 2.578 477 S HA 0.474 4.944 4.470 -0.000 0.000 0.301 477 S C -0.873 173.582 174.600 -0.243 0.000 1.091 477 S CA -0.816 57.303 58.200 -0.135 0.000 1.032 477 S CB 2.091 65.205 63.200 -0.143 0.000 1.064 477 S HN 0.554 nan 8.310 nan 0.000 0.508 478 D N -0.178 120.110 120.400 -0.187 0.000 2.745 478 D HA 0.270 4.910 4.640 -0.000 0.000 0.221 478 D C -1.728 174.516 176.300 -0.092 0.000 1.237 478 D CA -0.732 53.165 54.000 -0.171 0.000 0.781 478 D CB 0.705 41.471 40.800 -0.057 0.000 1.575 478 D HN 0.303 nan 8.370 nan 0.000 0.482 479 K N 0.696 121.056 120.400 -0.066 0.000 6.195 479 K HA 0.084 4.404 4.320 -0.000 0.000 0.682 479 K C -0.722 175.908 176.600 0.051 0.000 1.565 479 K CA 1.260 57.507 56.287 -0.066 0.000 1.637 479 K CB -1.884 30.494 32.500 -0.203 0.000 1.930 479 K HN 1.505 nan 8.250 nan 0.000 0.344 480 S N 1.431 117.184 115.700 0.089 0.000 2.862 480 S HA 0.042 4.512 4.470 -0.000 0.000 0.856 480 S C -0.319 174.347 174.600 0.110 0.000 0.886 480 S CA 0.673 58.953 58.200 0.134 0.000 1.464 480 S CB -0.859 62.477 63.200 0.225 0.000 1.050 480 S HN 1.870 nan 8.310 nan 0.000 0.253 481 S N 2.040 117.801 115.700 0.102 0.000 3.977 481 S HA 0.019 4.489 4.470 -0.000 0.000 0.664 481 S C -0.819 173.877 174.600 0.159 0.000 0.597 481 S CA 0.346 58.604 58.200 0.097 0.000 1.368 481 S CB -1.681 61.556 63.200 0.062 0.000 0.751 481 S HN 2.049 nan 8.310 nan 0.000 0.878 482 F N 2.943 122.890 119.950 -0.004 0.000 2.617 482 F HA 0.654 5.180 4.527 -0.000 0.000 0.325 482 F C -1.207 174.590 175.800 -0.004 0.000 1.179 482 F CA -0.359 57.636 58.000 -0.009 0.000 0.965 482 F CB 1.319 40.313 39.000 -0.011 0.000 1.232 482 F HN 0.327 nan 8.300 nan 0.000 0.461 483 D N 3.824 123.828 120.400 -0.660 0.000 2.655 483 D HA 0.237 4.877 4.640 -0.000 0.000 0.229 483 D C -0.451 175.521 176.300 -0.546 0.000 1.229 483 D CA -0.504 53.176 54.000 -0.533 0.000 0.807 483 D CB 1.348 42.022 40.800 -0.210 0.000 1.514 483 D HN 0.555 nan 8.370 nan 0.000 0.444 484 D N 0.066 120.234 120.400 -0.386 0.000 3.006 484 D HA -0.244 4.396 4.640 -0.000 0.000 0.208 484 D C 1.018 177.152 176.300 -0.276 0.000 1.116 484 D CA 2.187 56.037 54.000 -0.250 0.000 0.998 484 D CB -0.744 39.954 40.800 -0.170 0.000 1.124 484 D HN 1.341 nan 8.370 nan 0.000 0.413 485 G N -0.708 107.776 108.800 -0.527 0.000 2.163 485 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.213 485 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.213 485 G C 0.161 174.906 174.900 -0.258 0.000 0.991 485 G CA 0.242 45.152 45.100 -0.317 0.000 0.653 485 G HN 0.417 nan 8.290 nan 0.000 0.518 486 I N 1.095 121.424 120.570 -0.402 0.000 2.354 486 I HA 0.512 4.682 4.170 -0.000 0.000 0.286 486 I C 0.064 176.095 176.117 -0.144 0.000 1.007 486 I CA -1.120 60.068 61.300 -0.187 0.000 1.167 486 I CB 1.225 39.141 38.000 -0.141 0.000 1.320 486 I HN 0.119 nan 8.210 nan 0.000 0.458 487 L N 7.548 128.819 121.223 0.080 0.000 2.272 487 L HA 0.739 5.079 4.340 -0.000 0.000 0.284 487 L C 0.214 177.131 176.870 0.079 0.000 1.045 487 L CA 0.705 55.661 54.840 0.194 0.000 0.842 487 L CB 0.462 42.712 42.059 0.318 0.000 1.224 487 L HN 1.000 nan 8.230 nan 0.000 0.430 488 T N 0.518 115.104 114.554 0.054 0.000 0.000 488 T HA 0.473 4.823 4.350 -0.000 0.000 0.000 488 T C -0.196 174.543 174.700 0.066 0.000 0.000 488 T CA -0.290 nan 62.100 nan 0.000 0.000 488 T CB 0.363 nan 68.868 nan 0.000 0.000 488 T HN 0.377 nan 8.240 nan 0.000 0.000 489 S N 0.184 115.940 115.700 0.093 0.000 3.471 489 S HA 0.195 4.664 4.470 -0.000 0.000 0.577 489 S C 0.138 174.779 174.600 0.067 0.000 0.626 489 S CA 0.559 58.832 58.200 0.121 0.000 1.399 489 S CB -1.527 61.734 63.200 0.103 0.000 0.984 489 S HN 2.401 nan 8.310 nan 0.000 0.905 490 M N 0.855 120.487 119.600 0.053 0.000 3.968 490 M HA -0.125 4.355 4.480 -0.000 0.000 0.158 490 M C 0.358 176.691 176.300 0.055 0.000 1.518 490 M CA 0.573 55.898 55.300 0.043 0.000 1.072 490 M CB -1.104 31.512 32.600 0.028 0.000 1.340 490 M HN 0.721 nan 8.290 nan 0.000 0.278 491 L N 2.044 123.294 121.223 0.044 0.000 2.511 491 L HA 0.374 4.714 4.340 -0.000 0.000 0.184 491 L C 1.557 178.448 176.870 0.036 0.000 1.382 491 L CA 0.801 55.677 54.840 0.061 0.000 3.034 491 L CB 0.066 42.163 42.059 0.063 0.000 2.913 491 L HN 0.823 nan 8.230 nan 0.000 1.071 492 R N -0.150 120.381 120.500 0.052 0.000 3.096 492 R HA 0.366 4.706 4.340 -0.000 0.000 0.138 492 R C -0.313 176.031 176.300 0.073 0.000 1.088 492 R CA -0.822 55.307 56.100 0.048 0.000 0.652 492 R CB -0.122 30.195 30.300 0.029 0.000 1.179 492 R HN 0.239 nan 8.270 nan 0.000 0.404 493 R N 0.477 121.019 120.500 0.069 0.000 2.643 493 R HA 0.450 4.790 4.340 -0.000 0.000 0.270 493 R C -0.247 176.130 176.300 0.130 0.000 1.061 493 R CA 0.178 56.327 56.100 0.080 0.000 1.107 493 R CB 0.357 30.693 30.300 0.060 0.000 0.999 493 R HN 0.795 nan 8.270 nan 0.000 0.460 494 A N 1.722 124.626 122.820 0.140 0.000 2.203 494 A HA -0.158 4.162 4.320 -0.000 0.000 0.279 494 A C -0.231 177.559 177.584 0.343 0.000 1.396 494 A CA 1.007 53.174 52.037 0.217 0.000 0.747 494 A CB -2.100 17.063 19.000 0.271 0.000 1.151 494 A HN 1.086 nan 8.150 nan 0.000 0.345 495 S N 0.666 116.529 115.700 0.271 0.000 2.548 495 S HA 0.669 5.138 4.470 -0.000 0.000 0.276 495 S C -0.567 174.232 174.600 0.331 0.000 1.129 495 S CA -0.493 57.907 58.200 0.334 0.000 0.931 495 S CB 1.638 64.976 63.200 0.231 0.000 1.068 495 S HN 1.488 nan 8.310 nan 0.000 0.480 496 W N 3.993 125.415 121.300 0.203 0.000 2.351 496 W HA 0.474 5.134 4.660 -0.000 0.000 0.311 496 W C -1.484 175.163 176.519 0.213 0.000 1.168 496 W CA -0.426 57.031 57.345 0.188 0.000 1.200 496 W CB 0.847 30.420 29.460 0.188 0.000 1.221 496 W HN 0.751 nan 8.180 nan 0.000 0.519 497 N N 4.849 123.293 118.700 -0.428 0.000 2.352 497 N HA 0.322 5.062 4.740 -0.000 0.000 0.291 497 N C -1.685 173.427 175.510 -0.663 0.000 1.040 497 N CA -0.578 52.271 53.050 -0.335 0.000 0.864 497 N CB 2.720 41.153 38.487 -0.090 0.000 1.440 497 N HN 0.099 nan 8.380 nan 0.000 0.483 498 V N 3.850 123.464 119.914 -0.500 0.000 2.349 498 V HA 0.469 4.589 4.120 -0.000 0.000 0.284 498 V C -0.117 175.621 176.094 -0.594 0.000 1.014 498 V CA -0.537 61.381 62.300 -0.637 0.000 0.826 498 V CB 0.954 32.478 31.823 -0.498 0.000 1.009 498 V HN 0.521 nan 8.190 nan 0.000 0.431 499 I N 5.448 125.622 120.570 -0.661 0.000 2.362 499 I HA 0.588 4.757 4.170 -0.000 0.000 0.289 499 I C 0.174 176.003 176.117 -0.480 0.000 0.994 499 I CA -0.480 60.455 61.300 -0.609 0.000 1.158 499 I CB 1.423 39.041 38.000 -0.637 0.000 1.315 499 I HN 0.415 nan 8.210 nan 0.000 0.451 500 R N 6.530 126.784 120.500 -0.409 0.000 2.562 500 R HA 0.789 5.128 4.340 -0.000 0.000 0.298 500 R C -1.148 174.988 176.300 -0.273 0.000 0.961 500 R CA -0.796 55.096 56.100 -0.346 0.000 0.881 500 R CB 2.541 32.602 30.300 -0.397 0.000 1.159 500 R HN 0.543 nan 8.270 nan 0.000 0.450 501 I N 0.995 121.440 120.570 -0.209 0.000 2.582 501 I HA 0.547 4.717 4.170 -0.000 0.000 0.292 501 I C 0.165 176.254 176.117 -0.046 0.000 1.066 501 I CA -0.618 60.564 61.300 -0.197 0.000 1.053 501 I CB 2.466 40.292 38.000 -0.289 0.000 1.241 501 I HN 0.732 nan 8.210 nan 0.000 0.421 502 G N 0.000 108.706 108.800 -0.157 0.000 5.446 502 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 502 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 502 G CA 0.000 44.883 45.100 -0.362 0.000 0.502 502 G HN 0.000 nan 8.290 nan 0.000 0.925