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 2jio_1_A DATA FIRST_RESID 4 DATA SEQUENCE RPEKWVKGVC RYCGTGCGVL VGVKDGKAVA IQGDPNNHNA GLLCLKGSLL DATA SEQUENCE IPVLNSKERV TQPLVRRHKG GKLEPVSWDE ALDLMASRFR SSIDMYGPNS DATA SEQUENCE VAWYGSGQCL TEESYVANKI FKGGFGTNNV DGNPRLCMAS AVGGYVTSFG DATA SEQUENCE KDEPMGTYAD IDQATCFFII GSNTSEAHPV LFRRIARRKQ VEPGVKIIVA DATA SEQUENCE DPRRTNTSRI ADMHVAFRPG TDLAFMHSMA WVIINEELDN PRFWQRYVNF DATA SEQUENCE MDAEGKPSDF EGYKAFLENY RPEKVAEICR VPVEQIYGAA RAFAESAATM DATA SEQUENCE SLWCMGINQR VQGVFANNLI HNLHLITGQI CRPGATSFSL TGQPNACGGV DATA SEQUENCE RDGGALSHLL PAGRAIPNAK HRAEMEKLWG LPEGRIAPEP GYHTVALFEA DATA SEQUENCE LGRGDVKCMI ICETNPAHTL PNLNKVHKAM SHPESFIVCI EAFPDAVTLE DATA SEQUENCE YADLVLPPAF WCERDGVYGC GERRYSLTEK AVDPPGQCRP TVNTLVEFAR DATA SEQUENCE RAGVDPQLVN FRNAEDVWNE WRMVSKGTTY DFWGMTRERL RKESGLIWPC DATA SEQUENCE PSEDHPGTSL RYVRGQDPCV PADHPDRFFF YGKPDGRAVI WMRPAKGAAE DATA SEQUENCE EPDAEYPLYL TSMRVIDHWH TATMTGKVPE LQKANPIAFV EINEEDAART DATA SEQUENCE GIKHGDSVIV ETRRDAMELP ARVSDVCRPG LIAVPFFDPK KLVNKLFLDA DATA SEQUENCE TDPVSREPEY KICAARVRKA 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 4 R HA 0.000 nan 4.340 nan 0.000 0.208 4 R C 0.000 176.239 176.300 -0.102 0.000 0.893 4 R CA 0.000 56.073 56.100 -0.045 0.000 0.921 4 R CB 0.000 30.272 30.300 -0.047 0.000 0.687 5 P HA 0.014 nan 4.420 nan 0.000 0.271 5 P C -0.178 176.986 177.300 -0.226 0.000 1.226 5 P CA 0.505 63.398 63.100 -0.346 0.000 0.765 5 P CB 0.656 31.861 31.700 -0.825 0.000 0.835 6 E N 3.875 123.955 120.200 -0.199 0.000 2.250 6 E HA -0.022 4.329 4.350 0.001 0.000 0.192 6 E C 0.137 176.668 176.600 -0.115 0.000 0.986 6 E CA 0.363 56.695 56.400 -0.113 0.000 0.849 6 E CB -0.019 29.629 29.700 -0.087 0.000 0.797 6 E HN 0.475 nan 8.360 nan 0.000 0.482 7 K N -0.486 119.781 120.400 -0.222 0.000 2.536 7 K HA 0.441 4.761 4.320 0.001 0.000 0.269 7 K C -1.968 174.415 176.600 -0.360 0.000 0.965 7 K CA -0.958 55.230 56.287 -0.165 0.000 0.860 7 K CB 0.991 33.444 32.500 -0.078 0.000 1.423 7 K HN -0.040 nan 8.250 nan 0.000 0.438 8 W N 1.639 122.914 121.300 -0.042 0.000 2.475 8 W HA 0.468 5.129 4.660 0.001 0.000 0.317 8 W C -0.967 175.514 176.519 -0.064 0.000 1.046 8 W CA -0.725 56.592 57.345 -0.047 0.000 1.215 8 W CB 2.101 31.540 29.460 -0.036 0.000 1.335 8 W HN 0.201 nan 8.180 nan 0.000 0.471 9 V N 3.746 123.716 119.914 0.094 0.000 2.370 9 V HA 0.260 4.380 4.120 0.001 0.000 0.283 9 V C 0.192 176.288 176.094 0.003 0.000 1.023 9 V CA -1.577 60.723 62.300 0.000 0.000 0.857 9 V CB 1.060 32.822 31.823 -0.102 0.000 0.985 9 V HN 0.424 nan 8.190 nan 0.000 0.443 10 K N 3.360 123.755 120.400 -0.009 0.000 2.379 10 K HA 0.562 4.883 4.320 0.001 0.000 0.284 10 K C 0.431 176.986 176.600 -0.074 0.000 1.044 10 K CA 0.391 56.666 56.287 -0.020 0.000 0.974 10 K CB 0.665 33.154 32.500 -0.019 0.000 0.962 10 K HN 0.937 nan 8.250 nan 0.000 0.474 11 G N 1.826 110.594 108.800 -0.053 0.000 3.003 11 G HA2 0.518 4.479 3.960 0.001 0.000 0.243 11 G HA3 0.518 4.479 3.960 0.001 0.000 0.243 11 G C -1.517 173.402 174.900 0.032 0.000 1.176 11 G CA -0.542 44.515 45.100 -0.071 0.000 0.812 11 G HN 0.464 nan 8.290 nan 0.000 0.584 12 V N -0.316 119.663 119.914 0.109 0.000 2.841 12 V HA 0.408 4.529 4.120 0.001 0.000 0.310 12 V C 0.075 176.352 176.094 0.305 0.000 1.090 12 V CA -0.939 61.476 62.300 0.192 0.000 0.930 12 V CB 1.475 33.431 31.823 0.222 0.000 1.014 12 V HN 1.027 nan 8.190 nan 0.000 0.425 13 C N 3.839 123.248 119.300 0.181 0.000 2.611 13 C HA 0.177 4.638 4.460 0.001 0.000 0.416 13 C C 2.066 176.963 174.990 -0.154 0.000 1.366 13 C CA 0.130 59.151 59.018 0.005 0.000 1.761 13 C CB 0.098 27.830 27.740 -0.014 0.000 2.619 13 C HN 1.014 nan 8.230 nan 0.000 0.606 14 R N 3.083 123.143 120.500 -0.733 0.000 2.235 14 R HA 0.049 4.390 4.340 0.001 0.000 0.213 14 R C 0.547 176.348 176.300 -0.832 0.000 1.059 14 R CA 1.685 57.224 56.100 -0.935 0.000 0.997 14 R CB -0.496 28.743 30.300 -1.769 0.000 0.884 14 R HN 0.925 nan 8.270 nan 0.000 0.462 15 Y N -1.308 118.610 120.300 -0.637 0.000 2.858 15 Y HA 0.130 4.681 4.550 0.001 0.000 0.196 15 Y C 1.481 176.968 175.900 -0.689 0.000 0.925 15 Y CA -0.161 57.297 58.100 -1.070 0.000 1.172 15 Y CB -0.657 37.283 38.460 -0.867 0.000 1.050 15 Y HN 0.073 nan 8.280 nan 0.000 0.460 16 C N 0.693 119.955 119.300 -0.064 0.000 2.480 16 C HA 0.548 5.009 4.460 0.001 0.000 0.358 16 C C 1.945 177.043 174.990 0.180 0.000 1.309 16 C CA -0.213 58.904 59.018 0.165 0.000 2.465 16 C CB 0.302 28.109 27.740 0.112 0.000 2.379 16 C HN 0.850 nan 8.230 nan 0.000 0.642 17 G N 0.575 109.542 108.800 0.278 0.000 2.776 17 G HA2 0.033 3.993 3.960 0.001 0.000 0.209 17 G HA3 0.033 3.993 3.960 0.001 0.000 0.209 17 G C 1.143 176.287 174.900 0.407 0.000 1.145 17 G CA 0.997 46.288 45.100 0.319 0.000 0.791 17 G HN 0.898 nan 8.290 nan 0.000 0.530 18 T N 0.812 115.608 114.554 0.404 0.000 2.721 18 T HA 0.006 4.357 4.350 0.001 0.000 0.268 18 T C 2.039 177.011 174.700 0.454 0.000 1.038 18 T CA 1.697 63.973 62.100 0.294 0.000 1.145 18 T CB -0.454 68.529 68.868 0.192 0.000 0.858 18 T HN 1.131 nan 8.240 nan 0.000 0.459 19 G N 0.610 109.633 108.800 0.372 0.000 2.246 19 G HA2 -0.280 3.681 3.960 0.001 0.000 0.273 19 G HA3 -0.280 3.681 3.960 0.001 0.000 0.273 19 G C 0.270 175.409 174.900 0.398 0.000 1.055 19 G CA -0.155 45.185 45.100 0.400 0.000 0.851 19 G HN 0.680 nan 8.290 nan 0.000 0.500 20 C N 0.559 119.982 119.300 0.205 0.000 2.563 20 C HA 0.488 4.949 4.460 0.001 0.000 0.411 20 C C 1.751 176.754 174.990 0.021 0.000 1.386 20 C CA 0.248 59.253 59.018 -0.022 0.000 1.703 20 C CB -0.202 27.529 27.740 -0.015 0.000 2.596 20 C HN 0.954 nan 8.230 nan 0.000 0.605 21 G N 2.211 110.980 108.800 -0.051 0.000 2.503 21 G HA2 0.489 4.450 3.960 0.001 0.000 0.257 21 G HA3 0.489 4.450 3.960 0.001 0.000 0.257 21 G C -0.810 174.102 174.900 0.019 0.000 1.214 21 G CA -0.153 44.952 45.100 0.009 0.000 0.839 21 G HN 0.704 nan 8.290 nan 0.000 0.559 22 V N 1.806 121.757 119.914 0.061 0.000 2.841 22 V HA 0.466 4.587 4.120 0.001 0.000 0.310 22 V C -0.426 175.722 176.094 0.090 0.000 1.090 22 V CA -0.670 61.691 62.300 0.102 0.000 0.930 22 V CB 2.060 34.005 31.823 0.204 0.000 1.014 22 V HN 0.615 nan 8.190 nan 0.000 0.425 23 L N 4.940 126.236 121.223 0.123 0.000 2.305 23 L HA 0.618 4.958 4.340 0.001 0.000 0.284 23 L C -0.716 176.378 176.870 0.373 0.000 1.013 23 L CA -0.839 54.128 54.840 0.212 0.000 0.819 23 L CB 1.919 44.069 42.059 0.151 0.000 1.227 23 L HN 0.310 nan 8.230 nan 0.000 0.417 24 V N 2.417 122.470 119.914 0.232 0.000 2.350 24 V HA 0.396 4.517 4.120 0.001 0.000 0.276 24 V C 0.746 176.796 176.094 -0.073 0.000 1.028 24 V CA -0.481 61.871 62.300 0.088 0.000 0.860 24 V CB 1.374 33.124 31.823 -0.121 0.000 0.990 24 V HN 0.871 nan 8.190 nan 0.000 0.453 25 G N 4.360 112.952 108.800 -0.345 0.000 2.333 25 G HA2 0.541 4.502 3.960 0.001 0.000 0.290 25 G HA3 0.541 4.502 3.960 0.001 0.000 0.290 25 G C -0.408 174.168 174.900 -0.541 0.000 1.150 25 G CA -0.197 44.286 45.100 -1.028 0.000 0.895 25 G HN 0.927 nan 8.290 nan 0.000 0.444 26 V N 0.198 119.824 119.914 -0.480 0.000 2.735 26 V HA 0.880 5.001 4.120 0.001 0.000 0.310 26 V C -0.567 175.379 176.094 -0.247 0.000 1.061 26 V CA -1.421 60.709 62.300 -0.283 0.000 0.913 26 V CB 2.027 33.727 31.823 -0.206 0.000 1.005 26 V HN 0.762 nan 8.190 nan 0.000 0.428 27 K N 2.541 122.839 120.400 -0.170 0.000 2.541 27 K HA 0.364 4.685 4.320 0.001 0.000 0.250 27 K C -0.848 175.698 176.600 -0.089 0.000 0.950 27 K CA -0.301 55.910 56.287 -0.128 0.000 0.805 27 K CB 1.540 33.970 32.500 -0.116 0.000 1.166 27 K HN 0.921 nan 8.250 nan 0.000 0.430 28 D N 3.517 123.872 120.400 -0.075 0.000 2.708 28 D HA -0.196 4.445 4.640 0.001 0.000 0.236 28 D C 0.675 176.942 176.300 -0.055 0.000 1.146 28 D CA 1.944 55.910 54.000 -0.056 0.000 0.662 28 D CB -1.090 39.684 40.800 -0.044 0.000 1.059 28 D HN 1.139 nan 8.370 nan 0.000 0.428 29 G N -1.129 107.631 108.800 -0.067 0.000 2.179 29 G HA2 -0.332 3.629 3.960 0.001 0.000 0.260 29 G HA3 -0.332 3.629 3.960 0.001 0.000 0.260 29 G C 0.215 175.078 174.900 -0.061 0.000 0.977 29 G CA 0.588 45.650 45.100 -0.062 0.000 0.641 29 G HN 0.330 nan 8.290 nan 0.000 0.533 30 K N 0.522 120.883 120.400 -0.066 0.000 2.292 30 K HA 0.753 5.074 4.320 0.001 0.000 0.257 30 K C 0.320 176.873 176.600 -0.078 0.000 0.940 30 K CA -0.005 56.249 56.287 -0.055 0.000 0.811 30 K CB 1.839 34.316 32.500 -0.038 0.000 1.120 30 K HN 0.639 nan 8.250 nan 0.000 0.428 31 A N 1.987 124.769 122.820 -0.064 0.000 2.450 31 A HA 0.295 4.616 4.320 0.001 0.000 0.255 31 A C 0.991 178.543 177.584 -0.053 0.000 1.096 31 A CA -0.206 51.786 52.037 -0.075 0.000 0.778 31 A CB -0.035 18.945 19.000 -0.034 0.000 1.031 31 A HN 0.567 nan 8.150 nan 0.000 0.494 32 V N -1.143 118.715 119.914 -0.094 0.000 3.497 32 V HA 0.673 4.794 4.120 0.001 0.000 0.272 32 V C 0.504 176.572 176.094 -0.043 0.000 1.474 32 V CA 0.699 62.959 62.300 -0.067 0.000 1.025 32 V CB -0.918 30.851 31.823 -0.091 0.000 0.820 32 V HN 1.688 nan 8.190 nan 0.000 0.437 33 A N -0.066 122.712 122.820 -0.069 0.000 2.609 33 A HA 0.889 5.210 4.320 0.001 0.000 0.291 33 A C -1.622 176.041 177.584 0.132 0.000 1.096 33 A CA -0.467 51.589 52.037 0.032 0.000 0.684 33 A CB 2.284 21.310 19.000 0.044 0.000 1.282 33 A HN 0.495 nan 8.150 nan 0.000 0.412 34 I N 0.256 120.981 120.570 0.258 0.000 2.722 34 I HA 0.559 4.730 4.170 0.001 0.000 0.295 34 I C -1.025 175.265 176.117 0.288 0.000 1.161 34 I CA -0.405 61.085 61.300 0.317 0.000 1.032 34 I CB 2.128 40.271 38.000 0.238 0.000 1.244 34 I HN 0.970 nan 8.210 nan 0.000 0.421 35 Q N 5.320 125.264 119.800 0.240 0.000 2.495 35 Q HA 0.661 5.002 4.340 0.001 0.000 0.287 35 Q C -0.624 175.386 176.000 0.016 0.000 1.078 35 Q CA -1.088 54.743 55.803 0.047 0.000 0.793 35 Q CB 1.815 30.462 28.738 -0.152 0.000 1.459 35 Q HN 0.669 nan 8.270 nan 0.000 0.422 36 G N 0.615 109.400 108.800 -0.026 0.000 2.491 36 G HA2 0.132 4.092 3.960 0.001 0.000 0.242 36 G HA3 0.132 4.092 3.960 0.001 0.000 0.242 36 G C -0.623 174.235 174.900 -0.070 0.000 1.266 36 G CA -0.194 44.885 45.100 -0.036 0.000 0.844 36 G HN 0.632 nan 8.290 nan 0.000 0.571 37 D N 2.191 122.557 120.400 -0.056 0.000 2.346 37 D HA 0.129 4.770 4.640 0.001 0.000 0.260 37 D C -0.889 175.363 176.300 -0.081 0.000 1.252 37 D CA -2.129 51.830 54.000 -0.067 0.000 0.895 37 D CB 1.602 42.377 40.800 -0.040 0.000 1.097 37 D HN 0.069 nan 8.370 nan 0.000 0.489 38 P HA -0.071 nan 4.420 nan 0.000 0.226 38 P C 0.407 177.673 177.300 -0.056 0.000 1.153 38 P CA 0.625 63.677 63.100 -0.080 0.000 0.777 38 P CB 0.476 32.120 31.700 -0.093 0.000 0.794 39 N N -1.097 117.574 118.700 -0.048 0.000 2.254 39 N HA 0.029 4.769 4.740 0.001 0.000 0.190 39 N C 0.701 176.205 175.510 -0.009 0.000 1.107 39 N CA 0.079 53.114 53.050 -0.026 0.000 0.869 39 N CB 0.006 38.479 38.487 -0.023 0.000 0.983 39 N HN 0.163 nan 8.380 nan 0.000 0.487 40 N N 0.665 119.350 118.700 -0.026 0.000 2.447 40 N HA -0.004 4.737 4.740 0.001 0.000 0.271 40 N C 1.277 176.766 175.510 -0.035 0.000 1.226 40 N CA -0.142 52.898 53.050 -0.016 0.000 0.980 40 N CB 0.871 39.324 38.487 -0.057 0.000 1.206 40 N HN 0.180 nan 8.380 nan 0.000 0.558 41 H N 0.289 119.402 119.070 0.071 0.000 2.422 41 H HA -0.059 4.497 4.556 0.001 0.000 0.298 41 H C 1.195 176.557 175.328 0.056 0.000 1.098 41 H CA 1.969 58.067 56.048 0.084 0.000 1.315 41 H CB -0.331 29.532 29.762 0.169 0.000 1.382 41 H HN 0.547 nan 8.280 nan 0.000 0.523 42 N N 1.768 120.195 118.700 -0.454 0.000 2.585 42 N HA -0.129 4.612 4.740 0.001 0.000 0.188 42 N C 0.881 176.330 175.510 -0.103 0.000 1.102 42 N CA 0.971 53.884 53.050 -0.229 0.000 0.920 42 N CB -0.383 37.932 38.487 -0.286 0.000 0.963 42 N HN 0.710 nan 8.380 nan 0.000 0.447 43 A N -0.188 122.581 122.820 -0.084 0.000 2.640 43 A HA -0.000 4.320 4.320 0.001 0.000 0.300 43 A C 1.343 178.889 177.584 -0.063 0.000 1.499 43 A CA 1.555 53.559 52.037 -0.054 0.000 0.759 43 A CB -2.001 16.982 19.000 -0.028 0.000 1.048 43 A HN 1.469 nan 8.150 nan 0.000 0.450 44 G N -3.571 105.182 108.800 -0.078 0.000 2.176 44 G HA2 -0.010 3.950 3.960 0.001 0.000 0.232 44 G HA3 -0.010 3.950 3.960 0.001 0.000 0.232 44 G C -0.161 174.702 174.900 -0.062 0.000 0.986 44 G CA 0.375 45.430 45.100 -0.076 0.000 0.643 44 G HN 1.431 nan 8.290 nan 0.000 0.522 45 L N 0.833 122.022 121.223 -0.057 0.000 2.307 45 L HA 0.829 5.169 4.340 0.001 0.000 0.284 45 L C 0.357 177.206 176.870 -0.034 0.000 1.023 45 L CA -0.708 54.107 54.840 -0.041 0.000 0.810 45 L CB 1.599 43.636 42.059 -0.037 0.000 1.231 45 L HN 0.182 nan 8.230 nan 0.000 0.423 46 L N 2.115 123.329 121.223 -0.016 0.000 2.323 46 L HA 0.650 4.991 4.340 0.001 0.000 0.265 46 L C 0.105 176.974 176.870 -0.002 0.000 1.012 46 L CA -0.925 53.913 54.840 -0.002 0.000 0.820 46 L CB 2.092 44.160 42.059 0.015 0.000 1.334 46 L HN 0.752 nan 8.230 nan 0.000 0.427 47 C N -0.253 119.046 119.300 -0.000 0.000 2.574 47 C HA 0.322 4.782 4.460 0.001 0.000 0.335 47 C C 1.713 176.692 174.990 -0.018 0.000 1.493 47 C CA -0.681 58.330 59.018 -0.012 0.000 2.217 47 C CB 0.349 28.076 27.740 -0.021 0.000 2.056 47 C HN 0.869 nan 8.230 nan 0.000 0.607 48 L N 1.196 122.396 121.223 -0.038 0.000 2.083 48 L HA -0.053 4.288 4.340 0.001 0.000 0.209 48 L C 2.718 179.561 176.870 -0.045 0.000 1.083 48 L CA 1.838 56.653 54.840 -0.043 0.000 0.752 48 L CB -0.858 41.164 42.059 -0.063 0.000 0.899 48 L HN 0.811 nan 8.230 nan 0.000 0.433 49 K N -0.722 119.628 120.400 -0.083 0.000 2.001 49 K HA -0.172 4.148 4.320 0.001 0.000 0.214 49 K C 2.008 178.665 176.600 0.095 0.000 1.050 49 K CA 1.494 57.728 56.287 -0.089 0.000 0.934 49 K CB -0.941 31.368 32.500 -0.317 0.000 0.718 49 K HN 0.540 nan 8.250 nan 0.000 0.443 50 G N 1.138 109.991 108.800 0.090 0.000 2.469 50 G HA2 -0.335 3.626 3.960 0.001 0.000 0.219 50 G HA3 -0.335 3.626 3.960 0.001 0.000 0.219 50 G C 1.565 176.500 174.900 0.058 0.000 1.150 50 G CA 1.554 46.699 45.100 0.075 0.000 0.763 50 G HN 0.462 nan 8.290 nan 0.000 0.561 51 S N -0.169 115.559 115.700 0.048 0.000 2.453 51 S HA 0.161 4.632 4.470 0.001 0.000 0.231 51 S C 1.707 176.343 174.600 0.061 0.000 1.005 51 S CA 0.366 58.598 58.200 0.053 0.000 0.949 51 S CB -0.152 63.067 63.200 0.032 0.000 0.774 51 S HN 0.223 nan 8.310 nan 0.000 0.510 52 L N 1.483 122.739 121.223 0.054 0.000 2.978 52 L HA 0.360 4.701 4.340 0.001 0.000 0.239 52 L C 0.988 177.904 176.870 0.077 0.000 1.293 52 L CA -0.290 54.584 54.840 0.057 0.000 1.085 52 L CB 0.374 42.450 42.059 0.027 0.000 1.432 52 L HN 0.239 nan 8.230 nan 0.000 0.512 53 L N 0.151 121.421 121.223 0.078 0.000 2.313 53 L HA -0.039 4.301 4.340 0.001 0.000 0.214 53 L C 2.200 179.171 176.870 0.168 0.000 1.119 53 L CA 1.296 56.158 54.840 0.037 0.000 0.809 53 L CB -0.244 41.727 42.059 -0.147 0.000 0.933 53 L HN 0.246 nan 8.230 nan 0.000 0.449 54 I N 0.821 121.499 120.570 0.180 0.000 2.179 54 I HA -0.148 4.023 4.170 0.001 0.000 0.242 54 I C -0.146 176.061 176.117 0.151 0.000 1.088 54 I CA 1.113 62.525 61.300 0.187 0.000 1.357 54 I CB -2.643 35.437 38.000 0.132 0.000 1.051 54 I HN 0.164 nan 8.210 nan 0.000 0.409 55 P HA -0.105 nan 4.420 nan 0.000 0.217 55 P C 2.219 179.580 177.300 0.101 0.000 1.148 55 P CA 1.099 64.251 63.100 0.087 0.000 0.828 55 P CB -0.009 31.726 31.700 0.059 0.000 0.783 56 V N -0.491 119.497 119.914 0.122 0.000 2.283 56 V HA -0.177 3.944 4.120 0.001 0.000 0.243 56 V C 2.397 178.621 176.094 0.218 0.000 1.039 56 V CA 1.389 63.761 62.300 0.119 0.000 1.016 56 V CB -1.300 30.581 31.823 0.097 0.000 0.650 56 V HN 0.037 nan 8.190 nan 0.000 0.449 57 L N 0.930 122.387 121.223 0.390 0.000 2.127 57 L HA -0.115 4.226 4.340 0.001 0.000 0.211 57 L C 1.791 178.817 176.870 0.260 0.000 1.089 57 L CA 1.964 57.102 54.840 0.498 0.000 0.757 57 L CB -0.735 41.668 42.059 0.574 0.000 0.899 57 L HN 0.333 nan 8.230 nan 0.000 0.434 58 N N -1.169 117.637 118.700 0.177 0.000 2.280 58 N HA 0.051 4.792 4.740 0.001 0.000 0.192 58 N C 0.473 176.034 175.510 0.085 0.000 1.109 58 N CA 0.334 53.450 53.050 0.109 0.000 0.855 58 N CB 0.062 38.599 38.487 0.084 0.000 0.974 58 N HN 0.257 nan 8.380 nan 0.000 0.482 59 S N 0.986 116.747 115.700 0.101 0.000 2.558 59 S HA -0.013 4.458 4.470 0.001 0.000 0.291 59 S C 1.266 175.907 174.600 0.068 0.000 1.306 59 S CA 0.087 58.345 58.200 0.095 0.000 1.056 59 S CB 0.566 63.858 63.200 0.154 0.000 0.836 59 S HN 0.021 nan 8.310 nan 0.000 0.504 60 K N 2.872 123.305 120.400 0.055 0.000 2.379 60 K HA 0.117 4.438 4.320 0.001 0.000 0.194 60 K C 0.120 176.739 176.600 0.031 0.000 1.031 60 K CA 0.374 56.681 56.287 0.032 0.000 1.037 60 K CB 0.036 32.553 32.500 0.028 0.000 0.824 60 K HN 0.691 nan 8.250 nan 0.000 0.516 61 E N 2.246 122.487 120.200 0.068 0.000 1.852 61 E HA 0.062 4.413 4.350 0.001 0.000 0.276 61 E C -0.245 176.405 176.600 0.084 0.000 1.163 61 E CA 0.058 56.513 56.400 0.092 0.000 1.117 61 E CB 0.254 30.032 29.700 0.130 0.000 1.124 61 E HN -0.075 nan 8.360 nan 0.000 0.458 62 R N 0.739 121.215 120.500 -0.041 0.000 2.725 62 R HA 0.346 4.687 4.340 0.001 0.000 0.277 62 R C -0.813 175.409 176.300 -0.129 0.000 0.987 62 R CA -1.013 54.964 56.100 -0.204 0.000 0.901 62 R CB 2.004 32.158 30.300 -0.242 0.000 1.207 62 R HN 0.062 nan 8.270 nan 0.000 0.463 63 V N 2.509 122.326 119.914 -0.162 0.000 2.439 63 V HA 0.097 4.218 4.120 0.001 0.000 0.271 63 V C 1.384 177.435 176.094 -0.072 0.000 1.040 63 V CA 0.384 62.629 62.300 -0.092 0.000 1.002 63 V CB 0.685 32.461 31.823 -0.078 0.000 1.000 63 V HN 0.989 nan 8.190 nan 0.000 0.477 64 T N 0.754 115.283 114.554 -0.042 0.000 3.043 64 T HA 0.251 4.602 4.350 0.001 0.000 0.272 64 T C 0.233 174.943 174.700 0.016 0.000 0.990 64 T CA -0.207 61.891 62.100 -0.003 0.000 0.897 64 T CB 0.117 68.985 68.868 0.001 0.000 1.111 64 T HN 0.738 nan 8.240 nan 0.000 0.529 65 Q N 0.174 119.949 119.800 -0.041 0.000 2.418 65 Q HA 0.656 4.997 4.340 0.001 0.000 0.282 65 Q C -3.467 172.403 176.000 -0.217 0.000 1.044 65 Q CA -2.573 53.175 55.803 -0.092 0.000 0.813 65 Q CB 1.583 30.289 28.738 -0.053 0.000 1.428 65 Q HN -0.088 nan 8.270 nan 0.000 0.402 66 P HA 0.177 nan 4.420 nan 0.000 0.271 66 P C -1.205 175.958 177.300 -0.229 0.000 1.218 66 P CA -0.208 62.628 63.100 -0.440 0.000 0.780 66 P CB 0.446 31.742 31.700 -0.674 0.000 0.901 67 L N 2.718 123.833 121.223 -0.180 0.000 2.401 67 L HA 0.568 4.909 4.340 0.001 0.000 0.266 67 L C -0.475 176.344 176.870 -0.084 0.000 0.991 67 L CA -0.728 54.047 54.840 -0.108 0.000 0.818 67 L CB 1.970 43.977 42.059 -0.086 0.000 1.321 67 L HN 0.110 nan 8.230 nan 0.000 0.413 68 V N 3.894 123.775 119.914 -0.055 0.000 2.604 68 V HA 0.599 4.719 4.120 0.001 0.000 0.305 68 V C -0.409 175.666 176.094 -0.031 0.000 1.043 68 V CA -0.735 61.550 62.300 -0.026 0.000 0.888 68 V CB 2.258 34.078 31.823 -0.004 0.000 0.995 68 V HN 0.816 nan 8.190 nan 0.000 0.429 69 R N 5.326 125.813 120.500 -0.021 0.000 2.215 69 R HA 0.414 4.755 4.340 0.001 0.000 0.337 69 R C 0.938 177.205 176.300 -0.054 0.000 1.010 69 R CA -0.705 55.377 56.100 -0.030 0.000 0.871 69 R CB 0.610 30.900 30.300 -0.017 0.000 1.134 69 R HN 0.717 nan 8.270 nan 0.000 0.477 70 R N 1.411 121.819 120.500 -0.154 0.000 2.105 70 R HA -0.078 4.262 4.340 0.001 0.000 0.239 70 R C 0.172 176.140 176.300 -0.552 0.000 1.135 70 R CA 1.372 57.239 56.100 -0.389 0.000 0.967 70 R CB -0.170 29.788 30.300 -0.570 0.000 0.861 70 R HN 0.608 nan 8.270 nan 0.000 0.442 71 H N -0.033 119.062 119.070 0.041 0.000 2.806 71 H HA 0.268 4.824 4.556 0.001 0.000 0.367 71 H C -0.122 175.223 175.328 0.028 0.000 1.136 71 H CA -1.004 55.066 56.048 0.038 0.000 1.178 71 H CB 1.387 31.163 29.762 0.024 0.000 1.718 71 H HN -0.272 nan 8.280 nan 0.000 0.540 72 K N 0.871 121.365 120.400 0.157 0.000 2.530 72 K HA -0.008 4.312 4.320 0.001 0.000 0.280 72 K C 1.291 177.926 176.600 0.058 0.000 1.004 72 K CA 1.166 57.505 56.287 0.086 0.000 1.071 72 K CB 0.040 32.588 32.500 0.079 0.000 0.876 72 K HN 1.075 nan 8.250 nan 0.000 0.487 73 G N 1.960 110.768 108.800 0.013 0.000 2.205 73 G HA2 -0.283 3.678 3.960 0.001 0.000 0.261 73 G HA3 -0.283 3.678 3.960 0.001 0.000 0.261 73 G C 0.683 175.584 174.900 0.002 0.000 0.980 73 G CA 0.448 45.543 45.100 -0.009 0.000 0.632 73 G HN 0.890 nan 8.290 nan 0.000 0.533 74 G N 0.041 108.861 108.800 0.033 0.000 2.570 74 G HA2 0.514 4.475 3.960 0.001 0.000 0.276 74 G HA3 0.514 4.475 3.960 0.001 0.000 0.276 74 G C 0.318 175.218 174.900 -0.001 0.000 1.346 74 G CA 0.270 45.393 45.100 0.038 0.000 1.034 74 G HN 1.009 nan 8.290 nan 0.000 0.512 75 K N -0.912 119.487 120.400 -0.001 0.000 2.123 75 K HA 0.493 4.814 4.320 0.001 0.000 0.259 75 K C -0.863 175.723 176.600 -0.023 0.000 0.960 75 K CA -1.020 55.257 56.287 -0.017 0.000 0.872 75 K CB 1.508 34.001 32.500 -0.013 0.000 1.079 75 K HN 0.128 nan 8.250 nan 0.000 0.440 76 L N 3.382 124.586 121.223 -0.031 0.000 2.462 76 L HA 0.093 4.434 4.340 0.001 0.000 0.272 76 L C 0.364 177.215 176.870 -0.032 0.000 1.166 76 L CA 0.664 55.482 54.840 -0.036 0.000 0.880 76 L CB -0.043 41.992 42.059 -0.040 0.000 1.142 76 L HN 0.909 nan 8.230 nan 0.000 0.473 77 E N 4.983 125.162 120.200 -0.035 0.000 2.343 77 E HA 0.639 4.989 4.350 0.001 0.000 0.270 77 E C -2.808 173.768 176.600 -0.039 0.000 0.895 77 E CA -2.424 53.958 56.400 -0.031 0.000 0.767 77 E CB 1.716 31.402 29.700 -0.024 0.000 1.248 77 E HN 0.229 nan 8.360 nan 0.000 0.440 78 P HA 0.048 nan 4.420 nan 0.000 0.266 78 P C -1.027 176.249 177.300 -0.040 0.000 1.195 78 P CA -0.251 62.823 63.100 -0.043 0.000 0.768 78 P CB 0.788 32.471 31.700 -0.028 0.000 0.838 79 V N 1.798 121.677 119.914 -0.057 0.000 3.048 79 V HA 0.404 4.525 4.120 0.001 0.000 0.303 79 V C -0.368 175.693 176.094 -0.055 0.000 1.214 79 V CA -0.536 61.737 62.300 -0.044 0.000 0.984 79 V CB 2.350 34.146 31.823 -0.044 0.000 1.054 79 V HN 0.703 nan 8.190 nan 0.000 0.430 80 S N 3.693 119.391 115.700 -0.003 0.000 2.593 80 S HA 0.147 4.618 4.470 0.001 0.000 0.269 80 S C 0.630 175.266 174.600 0.061 0.000 1.334 80 S CA 0.356 58.583 58.200 0.044 0.000 1.015 80 S CB 0.582 63.834 63.200 0.086 0.000 0.912 80 S HN 0.843 nan 8.310 nan 0.000 0.541 81 W N 0.665 121.989 121.300 0.040 0.000 2.338 81 W HA -0.080 4.581 4.660 0.001 0.000 0.304 81 W C 1.879 178.433 176.519 0.059 0.000 1.212 81 W CA 1.354 58.728 57.345 0.048 0.000 1.264 81 W CB -0.212 29.274 29.460 0.043 0.000 1.142 81 W HN 0.733 nan 8.180 nan 0.000 0.512 82 D N -0.473 120.108 120.400 0.303 0.000 2.117 82 D HA -0.202 4.439 4.640 0.001 0.000 0.198 82 D C 1.835 178.233 176.300 0.163 0.000 0.982 82 D CA 1.519 55.643 54.000 0.207 0.000 0.828 82 D CB -0.524 40.361 40.800 0.142 0.000 0.967 82 D HN 0.309 nan 8.370 nan 0.000 0.464 83 E N 0.365 120.640 120.200 0.126 0.000 2.077 83 E HA -0.149 4.202 4.350 0.001 0.000 0.193 83 E C 1.965 178.628 176.600 0.105 0.000 0.989 83 E CA 0.971 57.427 56.400 0.093 0.000 0.800 83 E CB 0.039 29.776 29.700 0.060 0.000 0.746 83 E HN 0.157 nan 8.360 nan 0.000 0.452 84 A N 1.005 123.882 122.820 0.096 0.000 1.883 84 A HA -0.174 4.147 4.320 0.001 0.000 0.217 84 A C 2.193 179.889 177.584 0.188 0.000 1.186 84 A CA 1.290 53.382 52.037 0.092 0.000 0.624 84 A CB -0.714 18.251 19.000 -0.059 0.000 0.822 84 A HN 0.315 nan 8.150 nan 0.000 0.444 85 L N -0.671 120.705 121.223 0.255 0.000 2.093 85 L HA -0.172 4.169 4.340 0.001 0.000 0.208 85 L C 2.119 179.147 176.870 0.264 0.000 1.085 85 L CA 1.356 56.380 54.840 0.308 0.000 0.755 85 L CB -0.536 41.722 42.059 0.333 0.000 0.904 85 L HN 0.294 nan 8.230 nan 0.000 0.435 86 D N -0.139 120.378 120.400 0.195 0.000 2.117 86 D HA -0.182 4.459 4.640 0.001 0.000 0.197 86 D C 2.054 178.442 176.300 0.147 0.000 0.987 86 D CA 1.071 55.161 54.000 0.150 0.000 0.829 86 D CB -0.123 40.741 40.800 0.106 0.000 0.961 86 D HN 0.135 nan 8.370 nan 0.000 0.460 87 L N 0.127 121.438 121.223 0.147 0.000 2.046 87 L HA -0.077 4.264 4.340 0.001 0.000 0.208 87 L C 2.243 179.213 176.870 0.167 0.000 1.077 87 L CA 1.492 56.398 54.840 0.112 0.000 0.747 87 L CB -0.380 41.758 42.059 0.132 0.000 0.896 87 L HN -0.005 nan 8.230 nan 0.000 0.432 88 M N -1.165 118.639 119.600 0.340 0.000 2.086 88 M HA -0.178 4.303 4.480 0.001 0.000 0.261 88 M C 2.219 178.884 176.300 0.609 0.000 1.067 88 M CA 1.985 57.603 55.300 0.531 0.000 1.116 88 M CB -0.183 32.638 32.600 0.367 0.000 1.348 88 M HN 0.408 nan 8.290 nan 0.000 0.407 89 A N 0.046 123.165 122.820 0.499 0.000 1.883 89 A HA -0.207 4.114 4.320 0.001 0.000 0.217 89 A C 2.209 179.935 177.584 0.236 0.000 1.186 89 A CA 2.483 54.742 52.037 0.371 0.000 0.624 89 A CB -1.247 17.881 19.000 0.212 0.000 0.822 89 A HN 0.713 nan 8.150 nan 0.000 0.444 90 S N -0.549 115.241 115.700 0.150 0.000 2.368 90 S HA -0.175 4.295 4.470 0.001 0.000 0.225 90 S C 2.053 176.667 174.600 0.023 0.000 1.030 90 S CA 1.154 59.390 58.200 0.060 0.000 0.999 90 S CB -0.428 62.785 63.200 0.021 0.000 0.844 90 S HN 0.497 nan 8.310 nan 0.000 0.459 91 R N 0.418 120.912 120.500 -0.010 0.000 2.075 91 R HA 0.128 4.469 4.340 0.001 0.000 0.232 91 R C 2.009 178.295 176.300 -0.023 0.000 1.126 91 R CA 1.286 57.298 56.100 -0.146 0.000 0.963 91 R CB -1.282 28.668 30.300 -0.583 0.000 0.858 91 R HN 0.553 nan 8.270 nan 0.000 0.435 92 F N 0.717 120.694 119.950 0.045 0.000 2.113 92 F HA -0.157 4.371 4.527 0.001 0.000 0.297 92 F C 2.762 178.470 175.800 -0.154 0.000 1.103 92 F CA 1.344 59.357 58.000 0.021 0.000 1.248 92 F CB -0.229 38.893 39.000 0.202 0.000 0.999 92 F HN -0.054 nan 8.300 nan 0.000 0.475 93 R N 0.269 120.805 120.500 0.060 0.000 2.083 93 R HA -0.181 4.160 4.340 0.001 0.000 0.237 93 R C 2.405 178.662 176.300 -0.072 0.000 1.137 93 R CA 1.909 57.980 56.100 -0.049 0.000 0.951 93 R CB -1.070 29.224 30.300 -0.009 0.000 0.851 93 R HN 0.159 nan 8.270 nan 0.000 0.434 94 S N -0.856 114.810 115.700 -0.057 0.000 2.382 94 S HA -0.108 4.363 4.470 0.001 0.000 0.228 94 S C 2.031 176.559 174.600 -0.119 0.000 1.027 94 S CA 1.552 59.699 58.200 -0.087 0.000 0.991 94 S CB -0.525 62.630 63.200 -0.074 0.000 0.823 94 S HN 0.490 nan 8.310 nan 0.000 0.469 95 S N 0.562 116.219 115.700 -0.072 0.000 2.368 95 S HA -0.006 4.465 4.470 0.001 0.000 0.225 95 S C 1.701 176.291 174.600 -0.017 0.000 1.030 95 S CA 1.444 59.656 58.200 0.021 0.000 0.999 95 S CB -0.442 62.747 63.200 -0.018 0.000 0.844 95 S HN 0.603 nan 8.310 nan 0.000 0.459 96 I N 1.273 121.790 120.570 -0.089 0.000 2.252 96 I HA -0.130 4.041 4.170 0.001 0.000 0.245 96 I C 1.967 178.029 176.117 -0.090 0.000 1.102 96 I CA 1.094 62.344 61.300 -0.083 0.000 1.385 96 I CB -0.391 37.518 38.000 -0.151 0.000 1.064 96 I HN 0.183 nan 8.210 nan 0.000 0.414 97 D N 0.453 120.779 120.400 -0.123 0.000 2.149 97 D HA -0.156 4.485 4.640 0.001 0.000 0.198 97 D C 2.175 178.352 176.300 -0.204 0.000 0.990 97 D CA 1.333 55.254 54.000 -0.132 0.000 0.839 97 D CB -0.039 40.688 40.800 -0.122 0.000 0.948 97 D HN 0.219 nan 8.370 nan 0.000 0.460 98 M N -1.206 118.174 119.600 -0.367 0.000 2.412 98 M HA 0.006 4.487 4.480 0.001 0.000 0.263 98 M C 0.937 176.869 176.300 -0.613 0.000 1.122 98 M CA 1.065 55.963 55.300 -0.670 0.000 1.179 98 M CB -0.252 31.578 32.600 -1.283 0.000 1.335 98 M HN 0.077 nan 8.290 nan 0.000 0.465 99 Y N -0.271 120.012 120.300 -0.028 0.000 2.527 99 Y HA 0.547 5.097 4.550 0.001 0.000 0.247 99 Y C 1.109 177.004 175.900 -0.008 0.000 1.138 99 Y CA -0.278 57.812 58.100 -0.018 0.000 1.228 99 Y CB -0.216 38.229 38.460 -0.025 0.000 1.252 99 Y HN 0.339 nan 8.280 nan 0.000 0.531 100 G N 1.421 110.268 108.800 0.079 0.000 2.712 100 G HA2 -0.183 3.778 3.960 0.001 0.000 0.686 100 G HA3 -0.183 3.778 3.960 0.001 0.000 0.686 100 G C -1.965 172.981 174.900 0.077 0.000 1.321 100 G CA -0.609 44.531 45.100 0.067 0.000 0.813 100 G HN -0.013 nan 8.290 nan 0.000 0.599 101 P HA -0.130 nan 4.420 nan 0.000 0.217 101 P C 1.391 178.778 177.300 0.146 0.000 1.148 101 P CA 1.472 64.633 63.100 0.102 0.000 0.828 101 P CB -0.051 31.733 31.700 0.141 0.000 0.783 102 N N -0.437 118.341 118.700 0.130 0.000 2.609 102 N HA -0.062 4.678 4.740 0.001 0.000 0.190 102 N C 1.385 177.000 175.510 0.174 0.000 1.157 102 N CA 0.930 54.067 53.050 0.144 0.000 0.918 102 N CB -0.598 37.934 38.487 0.076 0.000 0.978 102 N HN 0.313 nan 8.380 nan 0.000 0.448 103 S N -1.187 114.593 115.700 0.133 0.000 2.558 103 S HA 0.076 4.547 4.470 0.001 0.000 0.217 103 S C 0.837 175.467 174.600 0.050 0.000 0.975 103 S CA -0.319 57.925 58.200 0.074 0.000 0.912 103 S CB -0.341 62.912 63.200 0.088 0.000 0.776 103 S HN 0.064 nan 8.310 nan 0.000 0.526 104 V N -2.247 117.755 119.914 0.146 0.000 2.960 104 V HA 1.003 5.124 4.120 0.001 0.000 0.315 104 V C -0.517 175.866 176.094 0.482 0.000 1.087 104 V CA -0.746 61.702 62.300 0.246 0.000 0.982 104 V CB 1.198 33.187 31.823 0.276 0.000 1.039 104 V HN 0.528 nan 8.190 nan 0.000 0.437 105 A N 2.691 125.860 122.820 0.582 0.000 2.589 105 A HA 0.673 4.993 4.320 0.001 0.000 0.296 105 A C -1.591 176.055 177.584 0.103 0.000 1.062 105 A CA -0.514 51.721 52.037 0.331 0.000 0.686 105 A CB 1.802 20.891 19.000 0.149 0.000 1.282 105 A HN 1.586 nan 8.150 nan 0.000 0.404 106 W N 3.147 124.133 121.300 -0.523 0.000 2.429 106 W HA 0.600 5.261 4.660 0.001 0.000 0.314 106 W C -2.308 174.162 176.519 -0.083 0.000 1.062 106 W CA -0.557 56.478 57.345 -0.517 0.000 1.211 106 W CB 1.421 30.326 29.460 -0.924 0.000 1.305 106 W HN 0.733 nan 8.180 nan 0.000 0.476 107 Y N 6.331 126.265 120.300 -0.611 0.000 2.575 107 Y HA 0.488 5.039 4.550 0.001 0.000 0.326 107 Y C 0.203 175.690 175.900 -0.689 0.000 0.979 107 Y CA -0.325 57.523 58.100 -0.420 0.000 1.286 107 Y CB 0.553 38.942 38.460 -0.119 0.000 1.093 107 Y HN 0.455 nan 8.280 nan 0.000 0.501 108 G N 1.533 109.750 108.800 -0.971 0.000 3.039 108 G HA2 0.557 4.518 3.960 0.001 0.000 0.159 108 G HA3 0.557 4.518 3.960 0.001 0.000 0.159 108 G C -1.202 173.434 174.900 -0.439 0.000 1.284 108 G CA -0.719 44.011 45.100 -0.617 0.000 0.996 108 G HN 0.513 nan 8.290 nan 0.000 0.592 109 S N -2.559 113.085 115.700 -0.093 0.000 2.537 109 S HA 0.502 4.973 4.470 0.001 0.000 0.270 109 S C 0.763 175.408 174.600 0.075 0.000 1.142 109 S CA 0.374 58.559 58.200 -0.025 0.000 0.870 109 S CB 1.293 64.511 63.200 0.030 0.000 1.112 109 S HN 1.178 nan 8.310 nan 0.000 0.466 110 G N 1.428 110.277 108.800 0.082 0.000 2.776 110 G HA2 0.031 3.992 3.960 0.001 0.000 0.209 110 G HA3 0.031 3.992 3.960 0.001 0.000 0.209 110 G C 0.726 175.661 174.900 0.059 0.000 1.145 110 G CA 0.285 45.439 45.100 0.091 0.000 0.791 110 G HN 0.716 nan 8.290 nan 0.000 0.530 111 Q N -0.857 119.014 119.800 0.118 0.000 2.384 111 Q HA 0.142 4.483 4.340 0.001 0.000 0.207 111 Q C 0.723 176.876 176.000 0.256 0.000 0.904 111 Q CA -0.319 55.561 55.803 0.128 0.000 0.933 111 Q CB 0.574 29.456 28.738 0.239 0.000 1.077 111 Q HN 0.369 nan 8.270 nan 0.000 0.522 112 C N 1.683 121.123 119.300 0.234 0.000 2.662 112 C HA 0.105 4.566 4.460 0.001 0.000 0.420 112 C C 0.852 176.041 174.990 0.332 0.000 1.314 112 C CA -0.840 58.340 59.018 0.269 0.000 1.963 112 C CB -0.523 27.370 27.740 0.254 0.000 2.686 112 C HN 0.414 nan 8.230 nan 0.000 0.609 113 L N 3.249 124.644 121.223 0.288 0.000 2.514 113 L HA 0.009 4.349 4.340 0.001 0.000 0.280 113 L C 1.769 178.744 176.870 0.175 0.000 1.223 113 L CA 0.257 55.226 54.840 0.215 0.000 0.864 113 L CB 0.045 42.135 42.059 0.051 0.000 1.118 113 L HN 0.848 nan 8.230 nan 0.000 0.494 114 T N 0.791 115.447 114.554 0.171 0.000 2.699 114 T HA -0.204 4.147 4.350 0.001 0.000 0.268 114 T C 1.579 176.344 174.700 0.108 0.000 1.036 114 T CA 1.890 64.076 62.100 0.143 0.000 1.147 114 T CB -0.105 68.891 68.868 0.214 0.000 0.862 114 T HN 0.590 nan 8.240 nan 0.000 0.446 115 E N 0.952 121.219 120.200 0.113 0.000 2.077 115 E HA -0.106 4.244 4.350 0.001 0.000 0.193 115 E C 2.297 178.897 176.600 0.000 0.000 0.989 115 E CA 1.090 57.513 56.400 0.037 0.000 0.800 115 E CB -0.137 29.572 29.700 0.014 0.000 0.746 115 E HN 0.612 nan 8.360 nan 0.000 0.452 116 E N 0.288 120.506 120.200 0.031 0.000 2.031 116 E HA -0.135 4.216 4.350 0.001 0.000 0.193 116 E C 2.187 178.770 176.600 -0.027 0.000 0.994 116 E CA 1.279 57.698 56.400 0.032 0.000 0.800 116 E CB -0.136 29.633 29.700 0.117 0.000 0.752 116 E HN 0.038 nan 8.360 nan 0.000 0.447 117 S N 0.246 115.960 115.700 0.023 0.000 2.383 117 S HA -0.193 4.277 4.470 0.001 0.000 0.229 117 S C 1.723 176.218 174.600 -0.174 0.000 1.030 117 S CA 1.076 59.249 58.200 -0.044 0.000 1.002 117 S CB -0.337 62.894 63.200 0.052 0.000 0.829 117 S HN 0.340 nan 8.310 nan 0.000 0.467 118 Y N 2.178 122.317 120.300 -0.270 0.000 2.145 118 Y HA -0.157 4.394 4.550 0.001 0.000 0.286 118 Y C 2.185 177.895 175.900 -0.317 0.000 1.145 118 Y CA 1.254 59.147 58.100 -0.344 0.000 1.148 118 Y CB -0.529 37.679 38.460 -0.420 0.000 0.981 118 Y HN 0.031 nan 8.280 nan 0.000 0.507 119 V N 0.434 120.286 119.914 -0.103 0.000 2.358 119 V HA -0.299 3.822 4.120 0.001 0.000 0.246 119 V C 2.655 178.551 176.094 -0.330 0.000 1.047 119 V CA 1.714 63.912 62.300 -0.170 0.000 1.035 119 V CB -1.551 30.222 31.823 -0.082 0.000 0.658 119 V HN 0.568 nan 8.190 nan 0.000 0.452 120 A N 0.089 122.623 122.820 -0.477 0.000 1.877 120 A HA -0.280 4.041 4.320 0.001 0.000 0.216 120 A C 2.217 179.467 177.584 -0.556 0.000 1.186 120 A CA 2.112 53.681 52.037 -0.780 0.000 0.620 120 A CB -0.872 16.992 19.000 -1.893 0.000 0.822 120 A HN 0.614 nan 8.150 nan 0.000 0.443 121 N N -0.476 117.907 118.700 -0.529 0.000 2.104 121 N HA -0.207 4.534 4.740 0.001 0.000 0.190 121 N C 1.923 177.259 175.510 -0.289 0.000 1.024 121 N CA 1.693 54.554 53.050 -0.315 0.000 0.853 121 N CB -0.172 38.146 38.487 -0.281 0.000 1.008 121 N HN 0.572 nan 8.380 nan 0.000 0.424 122 K N 0.751 120.807 120.400 -0.574 0.000 2.097 122 K HA -0.049 4.271 4.320 0.001 0.000 0.205 122 K C 2.185 178.401 176.600 -0.641 0.000 1.050 122 K CA 0.714 56.422 56.287 -0.964 0.000 0.938 122 K CB -0.006 31.688 32.500 -1.343 0.000 0.718 122 K HN 0.180 nan 8.250 nan 0.000 0.442 123 I N 0.262 120.544 120.570 -0.480 0.000 2.163 123 I HA -0.286 3.885 4.170 0.001 0.000 0.243 123 I C 1.941 177.664 176.117 -0.656 0.000 1.085 123 I CA 1.435 62.389 61.300 -0.576 0.000 1.347 123 I CB -0.240 37.455 38.000 -0.508 0.000 1.044 123 I HN 0.114 nan 8.210 nan 0.000 0.408 124 F N 0.923 120.666 119.950 -0.345 0.000 2.098 124 F HA -0.118 4.410 4.527 0.001 0.000 0.294 124 F C 2.543 178.360 175.800 0.028 0.000 1.107 124 F CA 1.406 59.387 58.000 -0.031 0.000 1.234 124 F CB -0.229 38.863 39.000 0.153 0.000 1.002 124 F HN -0.174 nan 8.300 nan 0.000 0.472 125 K N -0.556 119.932 120.400 0.147 0.000 2.076 125 K HA 0.015 4.335 4.320 0.001 0.000 0.204 125 K C 2.236 178.910 176.600 0.122 0.000 1.051 125 K CA 1.194 57.579 56.287 0.164 0.000 0.949 125 K CB -0.568 32.060 32.500 0.213 0.000 0.726 125 K HN 0.322 nan 8.250 nan 0.000 0.443 126 G N 0.017 108.811 108.800 -0.010 0.000 2.595 126 G HA2 -0.020 3.941 3.960 0.001 0.000 0.213 126 G HA3 -0.020 3.941 3.960 0.001 0.000 0.213 126 G C 1.308 176.138 174.900 -0.118 0.000 1.141 126 G CA 0.517 45.604 45.100 -0.023 0.000 0.806 126 G HN 0.367 nan 8.290 nan 0.000 0.530 127 G N 0.337 108.984 108.800 -0.255 0.000 2.599 127 G HA2 0.117 4.078 3.960 0.001 0.000 0.210 127 G HA3 0.117 4.078 3.960 0.001 0.000 0.210 127 G C 1.463 176.297 174.900 -0.111 0.000 1.177 127 G CA 0.008 44.928 45.100 -0.300 0.000 0.835 127 G HN 0.337 nan 8.290 nan 0.000 0.575 128 F N 0.968 120.836 119.950 -0.138 0.000 2.259 128 F HA 0.186 4.714 4.527 0.001 0.000 0.298 128 F C 2.241 178.037 175.800 -0.007 0.000 1.088 128 F CA 0.440 58.384 58.000 -0.093 0.000 1.358 128 F CB 0.307 39.217 39.000 -0.150 0.000 1.040 128 F HN 0.337 nan 8.300 nan 0.000 0.505 129 G N 1.099 110.013 108.800 0.190 0.000 2.149 129 G HA2 -0.253 3.707 3.960 0.001 0.000 0.235 129 G HA3 -0.253 3.707 3.960 0.001 0.000 0.235 129 G C 0.050 175.055 174.900 0.175 0.000 1.018 129 G CA 0.363 45.555 45.100 0.153 0.000 0.728 129 G HN 0.368 nan 8.290 nan 0.000 0.508 130 T N -0.722 113.979 114.554 0.246 0.000 2.885 130 T HA 0.586 4.936 4.350 0.001 0.000 0.285 130 T C 0.873 175.729 174.700 0.260 0.000 1.019 130 T CA -0.390 61.860 62.100 0.250 0.000 1.010 130 T CB 0.771 69.831 68.868 0.320 0.000 1.022 130 T HN 0.039 nan 8.240 nan 0.000 0.466 131 N N 3.462 122.272 118.700 0.185 0.000 2.268 131 N HA 0.094 4.835 4.740 0.001 0.000 0.204 131 N C -0.205 175.413 175.510 0.179 0.000 1.124 131 N CA -0.024 53.127 53.050 0.168 0.000 0.838 131 N CB -0.044 38.513 38.487 0.117 0.000 0.994 131 N HN 0.626 nan 8.380 nan 0.000 0.489 132 N N 0.699 119.535 118.700 0.226 0.000 3.103 132 N HA 0.092 4.833 4.740 0.001 0.000 0.305 132 N C -0.967 174.673 175.510 0.217 0.000 1.232 132 N CA 0.010 53.203 53.050 0.238 0.000 1.190 132 N CB 0.426 39.092 38.487 0.298 0.000 1.461 132 N HN -0.159 nan 8.380 nan 0.000 0.538 133 V N 0.810 120.846 119.914 0.203 0.000 2.409 133 V HA 0.338 4.458 4.120 0.001 0.000 0.290 133 V C -0.378 175.865 176.094 0.248 0.000 1.017 133 V CA -0.661 61.764 62.300 0.209 0.000 0.841 133 V CB 1.745 33.650 31.823 0.137 0.000 1.003 133 V HN 0.342 nan 8.190 nan 0.000 0.426 134 D N 2.030 122.605 120.400 0.292 0.000 2.798 134 D HA 0.915 5.556 4.640 0.001 0.000 0.308 134 D C -0.037 176.384 176.300 0.202 0.000 1.187 134 D CA 0.354 54.529 54.000 0.292 0.000 1.033 134 D CB 2.445 43.457 40.800 0.354 0.000 1.445 134 D HN 0.841 nan 8.370 nan 0.000 0.550 135 G N -0.756 108.133 108.800 0.149 0.000 2.451 135 G HA2 0.213 4.174 3.960 0.001 0.000 0.292 135 G HA3 0.213 4.174 3.960 0.001 0.000 0.292 135 G C -0.183 174.681 174.900 -0.059 0.000 1.427 135 G CA -0.224 44.726 45.100 -0.250 0.000 0.792 135 G HN 0.471 nan 8.290 nan 0.000 0.498 136 N N -0.478 118.097 118.700 -0.210 0.000 2.443 136 N HA 0.000 4.741 4.740 0.001 0.000 0.184 136 N C -0.785 174.773 175.510 0.080 0.000 1.037 136 N CA 1.162 54.230 53.050 0.029 0.000 0.896 136 N CB -0.937 37.542 38.487 -0.013 0.000 0.959 136 N HN 0.251 nan 8.380 nan 0.000 0.442 137 P HA -0.048 nan 4.420 nan 0.000 0.225 137 P C 1.334 178.722 177.300 0.146 0.000 1.148 137 P CA 0.845 64.018 63.100 0.120 0.000 0.779 137 P CB -0.056 31.722 31.700 0.129 0.000 0.780 138 R N 0.182 120.785 120.500 0.171 0.000 2.159 138 R HA -0.069 4.272 4.340 0.001 0.000 0.237 138 R C 1.715 178.104 176.300 0.147 0.000 1.131 138 R CA 1.134 57.340 56.100 0.178 0.000 0.982 138 R CB -1.034 29.404 30.300 0.230 0.000 0.868 138 R HN 0.188 nan 8.270 nan 0.000 0.453 139 L N -1.437 119.880 121.223 0.157 0.000 2.591 139 L HA 0.058 4.398 4.340 0.001 0.000 0.228 139 L C 1.718 178.682 176.870 0.157 0.000 1.133 139 L CA -0.091 54.864 54.840 0.191 0.000 0.880 139 L CB 0.204 42.379 42.059 0.194 0.000 1.033 139 L HN 0.345 nan 8.230 nan 0.000 0.450 140 C N -1.141 118.231 119.300 0.119 0.000 3.115 140 C HA 0.192 4.652 4.460 0.001 0.000 0.281 140 C C 1.792 176.858 174.990 0.126 0.000 2.312 140 C CA -0.103 58.976 59.018 0.102 0.000 1.650 140 C CB 0.503 28.296 27.740 0.088 0.000 1.514 140 C HN 0.310 nan 8.230 nan 0.000 0.707 141 M N 1.591 121.276 119.600 0.141 0.000 2.371 141 M HA 0.317 4.798 4.480 0.001 0.000 0.246 141 M C 1.867 178.274 176.300 0.178 0.000 1.103 141 M CA 0.845 56.243 55.300 0.163 0.000 1.010 141 M CB -1.200 31.502 32.600 0.169 0.000 1.457 141 M HN 0.534 nan 8.290 nan 0.000 0.486 142 A N -0.037 122.877 122.820 0.157 0.000 1.978 142 A HA -0.111 4.210 4.320 0.001 0.000 0.220 142 A C 2.434 180.100 177.584 0.136 0.000 1.170 142 A CA 2.077 54.207 52.037 0.155 0.000 0.636 142 A CB -0.551 18.522 19.000 0.121 0.000 0.810 142 A HN 0.429 nan 8.150 nan 0.000 0.448 143 S N -0.509 115.260 115.700 0.114 0.000 2.387 143 S HA 0.063 4.534 4.470 0.001 0.000 0.226 143 S C 2.244 176.935 174.600 0.153 0.000 1.026 143 S CA 0.942 59.198 58.200 0.093 0.000 0.972 143 S CB -0.305 62.933 63.200 0.063 0.000 0.814 143 S HN 0.783 nan 8.310 nan 0.000 0.477 144 A N 1.009 123.961 122.820 0.220 0.000 1.969 144 A HA 0.013 4.334 4.320 0.001 0.000 0.218 144 A C 2.252 180.040 177.584 0.340 0.000 1.169 144 A CA 1.076 53.283 52.037 0.283 0.000 0.635 144 A CB -0.680 18.503 19.000 0.304 0.000 0.810 144 A HN 0.336 nan 8.150 nan 0.000 0.445 145 V N -0.009 120.102 119.914 0.327 0.000 2.261 145 V HA -0.183 3.938 4.120 0.001 0.000 0.246 145 V C 2.862 179.145 176.094 0.315 0.000 1.047 145 V CA 2.005 64.521 62.300 0.360 0.000 1.015 145 V CB -1.533 30.472 31.823 0.303 0.000 0.642 145 V HN 0.577 nan 8.190 nan 0.000 0.446 146 G N -0.014 108.918 108.800 0.219 0.000 2.440 146 G HA2 -0.186 3.774 3.960 0.001 0.000 0.218 146 G HA3 -0.186 3.774 3.960 0.001 0.000 0.218 146 G C 1.604 176.597 174.900 0.155 0.000 1.154 146 G CA 1.075 46.265 45.100 0.150 0.000 0.767 146 G HN 0.601 nan 8.290 nan 0.000 0.552 147 G N -0.312 108.595 108.800 0.179 0.000 2.404 147 G HA2 -0.151 3.810 3.960 0.001 0.000 0.215 147 G HA3 -0.151 3.810 3.960 0.001 0.000 0.215 147 G C 1.617 176.717 174.900 0.334 0.000 1.174 147 G CA 0.758 45.977 45.100 0.199 0.000 0.780 147 G HN 0.497 nan 8.290 nan 0.000 0.537 148 Y N 0.061 120.621 120.300 0.433 0.000 2.242 148 Y HA -0.088 4.463 4.550 0.001 0.000 0.291 148 Y C 3.028 179.115 175.900 0.311 0.000 1.137 148 Y CA 0.550 58.873 58.100 0.372 0.000 1.181 148 Y CB 0.071 38.710 38.460 0.299 0.000 0.989 148 Y HN 0.057 nan 8.280 nan 0.000 0.527 149 V N -0.441 119.718 119.914 0.409 0.000 2.379 149 V HA -0.257 3.864 4.120 0.001 0.000 0.245 149 V C 2.394 178.629 176.094 0.235 0.000 1.044 149 V CA 2.244 64.727 62.300 0.305 0.000 1.036 149 V CB -0.999 30.982 31.823 0.263 0.000 0.664 149 V HN 0.603 nan 8.190 nan 0.000 0.453 150 T N -2.651 112.011 114.554 0.180 0.000 2.857 150 T HA -0.127 4.224 4.350 0.001 0.000 0.266 150 T C 1.947 176.843 174.700 0.327 0.000 1.048 150 T CA 1.653 63.842 62.100 0.149 0.000 1.139 150 T CB -0.332 68.401 68.868 -0.226 0.000 0.874 150 T HN 0.392 nan 8.240 nan 0.000 0.455 151 S N 0.764 116.571 115.700 0.179 0.000 2.395 151 S HA 0.235 4.706 4.470 0.001 0.000 0.225 151 S C 1.133 175.352 174.600 -0.634 0.000 1.027 151 S CA 0.694 58.786 58.200 -0.180 0.000 0.965 151 S CB -0.276 62.700 63.200 -0.374 0.000 0.812 151 S HN 0.609 nan 8.310 nan 0.000 0.482 152 F N -0.408 119.539 119.950 -0.005 0.000 2.784 152 F HA 0.389 4.917 4.527 0.001 0.000 0.323 152 F C 1.744 177.504 175.800 -0.067 0.000 1.085 152 F CA 0.162 58.086 58.000 -0.127 0.000 1.196 152 F CB 0.277 39.200 39.000 -0.127 0.000 1.053 152 F HN 0.260 nan 8.300 nan 0.000 0.578 153 G N 0.556 109.473 108.800 0.196 0.000 2.179 153 G HA2 -0.228 3.733 3.960 0.001 0.000 0.260 153 G HA3 -0.228 3.733 3.960 0.001 0.000 0.260 153 G C 0.118 175.151 174.900 0.221 0.000 0.977 153 G CA 0.058 45.266 45.100 0.179 0.000 0.641 153 G HN 0.155 nan 8.290 nan 0.000 0.533 154 K N 0.164 120.725 120.400 0.269 0.000 2.498 154 K HA 0.429 4.749 4.320 0.001 0.000 0.254 154 K C -0.982 175.780 176.600 0.270 0.000 0.933 154 K CA -0.879 55.569 56.287 0.269 0.000 0.806 154 K CB 2.084 34.745 32.500 0.268 0.000 1.301 154 K HN 0.127 nan 8.250 nan 0.000 0.432 155 D N 1.931 122.489 120.400 0.264 0.000 2.360 155 D HA 0.178 4.819 4.640 0.001 0.000 0.242 155 D C -0.583 175.700 176.300 -0.028 0.000 1.184 155 D CA 1.097 55.241 54.000 0.239 0.000 0.930 155 D CB 0.632 41.643 40.800 0.351 0.000 1.161 155 D HN 0.366 nan 8.370 nan 0.000 0.447 156 E N -0.691 119.326 120.200 -0.306 0.000 8.269 156 E HA -0.085 4.266 4.350 0.001 0.000 0.479 156 E C -2.533 173.389 176.600 -1.130 0.000 1.009 156 E CA -0.439 55.666 56.400 -0.492 0.000 1.890 156 E CB -1.498 28.169 29.700 -0.055 0.000 0.983 156 E HN 0.336 nan 8.360 nan 0.000 0.262 157 P HA 0.038 nan 4.420 nan 0.000 0.269 157 P C 1.178 178.076 177.300 -0.670 0.000 1.217 157 P CA -0.001 62.603 63.100 -0.828 0.000 0.783 157 P CB 0.276 31.456 31.700 -0.867 0.000 0.898 158 M N 0.044 119.344 119.600 -0.501 0.000 2.465 158 M HA 0.262 4.743 4.480 0.001 0.000 0.249 158 M C 0.629 176.737 176.300 -0.319 0.000 1.130 158 M CA 0.710 55.708 55.300 -0.503 0.000 1.067 158 M CB -1.169 31.155 32.600 -0.460 0.000 1.394 158 M HN 0.192 nan 8.290 nan 0.000 0.483 159 G N 1.097 109.813 108.800 -0.140 0.000 2.671 159 G HA2 0.641 4.601 3.960 0.001 0.000 0.275 159 G HA3 0.641 4.601 3.960 0.001 0.000 0.275 159 G C -0.800 174.122 174.900 0.037 0.000 1.368 159 G CA 0.173 45.259 45.100 -0.024 0.000 1.044 159 G HN 0.497 nan 8.290 nan 0.000 0.543 160 T N -4.278 110.268 114.554 -0.013 0.000 2.838 160 T HA 0.361 4.711 4.350 0.001 0.000 0.292 160 T C 0.662 175.186 174.700 -0.293 0.000 1.113 160 T CA -0.676 61.342 62.100 -0.137 0.000 1.008 160 T CB 0.936 69.683 68.868 -0.201 0.000 1.259 160 T HN 0.442 nan 8.240 nan 0.000 0.520 161 Y N 0.233 120.329 120.300 -0.340 0.000 2.315 161 Y HA -0.036 4.515 4.550 0.001 0.000 0.288 161 Y C 3.042 178.812 175.900 -0.216 0.000 1.154 161 Y CA 0.442 58.309 58.100 -0.389 0.000 1.229 161 Y CB -0.492 37.768 38.460 -0.332 0.000 0.980 161 Y HN 0.809 nan 8.280 nan 0.000 0.540 162 A N 0.375 123.190 122.820 -0.007 0.000 1.978 162 A HA -0.228 4.093 4.320 0.001 0.000 0.220 162 A C 1.786 179.361 177.584 -0.015 0.000 1.170 162 A CA 1.928 53.963 52.037 -0.004 0.000 0.636 162 A CB -0.558 18.431 19.000 -0.017 0.000 0.810 162 A HN 0.397 nan 8.150 nan 0.000 0.448 163 D N -0.023 120.351 120.400 -0.044 0.000 2.221 163 D HA -0.127 4.514 4.640 0.001 0.000 0.204 163 D C 1.746 178.043 176.300 -0.006 0.000 0.982 163 D CA 1.005 54.982 54.000 -0.038 0.000 0.857 163 D CB -0.261 40.509 40.800 -0.051 0.000 0.934 163 D HN 0.580 nan 8.370 nan 0.000 0.475 164 I N 1.335 121.930 120.570 0.042 0.000 2.248 164 I HA -0.261 3.910 4.170 0.001 0.000 0.248 164 I C 1.496 177.730 176.117 0.195 0.000 1.107 164 I CA 1.127 62.550 61.300 0.204 0.000 1.373 164 I CB -0.132 37.943 38.000 0.125 0.000 1.055 164 I HN -0.152 nan 8.210 nan 0.000 0.418 165 D N 0.157 120.606 120.400 0.081 0.000 2.371 165 D HA -0.097 4.543 4.640 0.001 0.000 0.221 165 D C 1.719 178.041 176.300 0.037 0.000 0.986 165 D CA 0.835 54.871 54.000 0.059 0.000 0.899 165 D CB 0.062 40.880 40.800 0.030 0.000 0.902 165 D HN 0.510 nan 8.370 nan 0.000 0.530 166 Q N -0.643 119.163 119.800 0.010 0.000 2.140 166 Q HA 0.317 4.657 4.340 0.001 0.000 0.227 166 Q C 0.196 176.148 176.000 -0.080 0.000 0.798 166 Q CA -0.217 55.572 55.803 -0.023 0.000 0.987 166 Q CB 1.423 30.147 28.738 -0.023 0.000 1.161 166 Q HN 0.048 nan 8.270 nan 0.000 0.480 167 A N 0.441 123.169 122.820 -0.153 0.000 2.462 167 A HA 0.179 4.499 4.320 0.001 0.000 0.243 167 A C 0.793 178.197 177.584 -0.300 0.000 1.076 167 A CA 0.434 52.246 52.037 -0.374 0.000 0.773 167 A CB 0.573 19.037 19.000 -0.894 0.000 1.010 167 A HN 0.085 nan 8.150 nan 0.000 0.493 168 T N 0.251 114.645 114.554 -0.267 0.000 2.971 168 T HA 0.175 4.526 4.350 0.001 0.000 0.252 168 T C -0.005 174.618 174.700 -0.129 0.000 1.022 168 T CA 0.686 62.706 62.100 -0.134 0.000 0.980 168 T CB -0.228 68.588 68.868 -0.086 0.000 1.044 168 T HN 0.798 nan 8.240 nan 0.000 0.501 169 C N 1.407 120.550 119.300 -0.262 0.000 2.609 169 C HA 0.757 5.218 4.460 0.001 0.000 0.313 169 C C -1.796 173.000 174.990 -0.323 0.000 1.175 169 C CA -1.326 57.597 59.018 -0.158 0.000 1.434 169 C CB -0.143 27.526 27.740 -0.118 0.000 2.005 169 C HN 0.332 nan 8.230 nan 0.000 0.471 170 F N 4.664 124.679 119.950 0.107 0.000 2.444 170 F HA 0.541 5.069 4.527 0.001 0.000 0.342 170 F C -0.286 175.696 175.800 0.304 0.000 1.121 170 F CA -0.627 57.475 58.000 0.170 0.000 0.997 170 F CB 1.364 40.438 39.000 0.123 0.000 1.130 170 F HN 0.564 nan 8.300 nan 0.000 0.454 171 F N 5.663 125.830 119.950 0.362 0.000 2.332 171 F HA 0.596 5.124 4.527 0.001 0.000 0.368 171 F C -0.816 175.225 175.800 0.403 0.000 1.110 171 F CA -1.316 56.919 58.000 0.393 0.000 1.087 171 F CB 0.318 39.623 39.000 0.510 0.000 1.235 171 F HN 0.269 nan 8.300 nan 0.000 0.470 172 I N 8.509 129.080 120.570 0.003 0.000 2.371 172 I HA 0.373 4.543 4.170 0.001 0.000 0.282 172 I C -0.745 175.289 176.117 -0.138 0.000 1.031 172 I CA -0.485 60.829 61.300 0.023 0.000 1.180 172 I CB 1.274 39.346 38.000 0.121 0.000 1.336 172 I HN 0.521 nan 8.210 nan 0.000 0.467 173 I N 5.061 125.558 120.570 -0.122 0.000 2.465 173 I HA 0.572 4.743 4.170 0.001 0.000 0.291 173 I C 1.037 177.216 176.117 0.103 0.000 1.014 173 I CA 0.030 61.259 61.300 -0.118 0.000 1.093 173 I CB 1.591 39.387 38.000 -0.341 0.000 1.267 173 I HN 0.751 nan 8.210 nan 0.000 0.431 174 G N 4.509 113.380 108.800 0.120 0.000 2.283 174 G HA2 -0.262 3.699 3.960 0.001 0.000 0.280 174 G HA3 -0.262 3.699 3.960 0.001 0.000 0.280 174 G C -0.010 174.983 174.900 0.156 0.000 1.029 174 G CA 0.692 45.882 45.100 0.149 0.000 0.840 174 G HN 0.895 nan 8.290 nan 0.000 0.505 175 S N -0.780 114.995 115.700 0.125 0.000 2.647 175 S HA 0.509 4.979 4.470 0.001 0.000 0.300 175 S C -0.164 174.480 174.600 0.073 0.000 1.129 175 S CA -0.314 57.961 58.200 0.125 0.000 1.029 175 S CB 0.972 64.257 63.200 0.142 0.000 1.007 175 S HN 0.474 nan 8.310 nan 0.000 0.484 176 N N 4.075 122.811 118.700 0.059 0.000 3.229 176 N HA 0.134 4.875 4.740 0.001 0.000 0.275 176 N C 0.775 176.269 175.510 -0.026 0.000 1.225 176 N CA -0.322 52.719 53.050 -0.016 0.000 1.119 176 N CB 0.231 38.701 38.487 -0.028 0.000 1.392 176 N HN 0.667 nan 8.380 nan 0.000 0.520 177 T N -0.781 113.771 114.554 -0.004 0.000 2.833 177 T HA -0.172 4.179 4.350 0.001 0.000 0.269 177 T C 1.933 176.580 174.700 -0.088 0.000 1.054 177 T CA 0.943 63.090 62.100 0.079 0.000 1.135 177 T CB -0.110 68.864 68.868 0.177 0.000 0.869 177 T HN 0.387 nan 8.240 nan 0.000 0.466 178 S N 1.073 116.470 115.700 -0.505 0.000 2.359 178 S HA -0.159 4.311 4.470 0.001 0.000 0.224 178 S C 2.032 176.440 174.600 -0.320 0.000 1.035 178 S CA 1.288 59.008 58.200 -0.799 0.000 1.018 178 S CB -0.233 62.308 63.200 -1.099 0.000 0.876 178 S HN 0.601 nan 8.310 nan 0.000 0.448 179 E N -0.388 119.671 120.200 -0.235 0.000 2.340 179 E HA 0.200 4.550 4.350 0.001 0.000 0.194 179 E C 1.900 178.418 176.600 -0.136 0.000 0.996 179 E CA 0.600 56.901 56.400 -0.165 0.000 0.869 179 E CB 0.054 29.670 29.700 -0.141 0.000 0.835 179 E HN 0.581 nan 8.360 nan 0.000 0.493 180 A N 0.348 123.099 122.820 -0.115 0.000 2.085 180 A HA 0.069 4.389 4.320 0.001 0.000 0.208 180 A C 0.490 177.826 177.584 -0.414 0.000 1.191 180 A CA 0.351 52.271 52.037 -0.195 0.000 0.799 180 A CB 0.041 18.976 19.000 -0.108 0.000 0.877 180 A HN 0.114 nan 8.150 nan 0.000 0.473 181 H N -1.311 117.765 119.070 0.010 0.000 2.616 181 H HA 0.275 4.831 4.556 0.001 0.000 0.229 181 H C -2.288 173.055 175.328 0.024 0.000 1.418 181 H CA -1.275 54.787 56.048 0.024 0.000 1.248 181 H CB 0.544 30.319 29.762 0.021 0.000 1.822 181 H HN 0.223 nan 8.280 nan 0.000 0.522 182 P HA -0.207 nan 4.420 nan 0.000 0.216 182 P C 1.573 178.934 177.300 0.101 0.000 1.150 182 P CA 0.926 64.072 63.100 0.077 0.000 0.843 182 P CB 0.461 32.167 31.700 0.010 0.000 0.787 183 V N -0.864 119.084 119.914 0.057 0.000 2.515 183 V HA -0.188 3.932 4.120 0.001 0.000 0.250 183 V C 2.335 178.419 176.094 -0.018 0.000 1.058 183 V CA 1.496 63.809 62.300 0.021 0.000 1.064 183 V CB -1.086 30.746 31.823 0.015 0.000 0.675 183 V HN 0.082 nan 8.190 nan 0.000 0.461 184 L N -1.457 119.745 121.223 -0.034 0.000 2.109 184 L HA -0.122 4.218 4.340 0.001 0.000 0.207 184 L C 2.364 179.196 176.870 -0.062 0.000 1.086 184 L CA 1.481 56.245 54.840 -0.126 0.000 0.760 184 L CB -0.658 41.262 42.059 -0.231 0.000 0.910 184 L HN 0.338 nan 8.230 nan 0.000 0.437 185 F N 1.121 121.010 119.950 -0.102 0.000 2.134 185 F HA -0.219 4.309 4.527 0.001 0.000 0.299 185 F C 2.827 178.552 175.800 -0.125 0.000 1.097 185 F CA 1.545 59.477 58.000 -0.114 0.000 1.264 185 F CB -0.302 38.655 39.000 -0.072 0.000 1.001 185 F HN -0.107 nan 8.300 nan 0.000 0.479 186 R N 0.350 120.770 120.500 -0.134 0.000 2.081 186 R HA -0.198 4.143 4.340 0.001 0.000 0.235 186 R C 2.550 178.706 176.300 -0.240 0.000 1.131 186 R CA 1.654 57.634 56.100 -0.201 0.000 0.960 186 R CB -0.445 29.821 30.300 -0.057 0.000 0.856 186 R HN 0.275 nan 8.270 nan 0.000 0.436 187 R N 0.347 120.735 120.500 -0.188 0.000 2.096 187 R HA -0.091 4.250 4.340 0.001 0.000 0.235 187 R C 2.268 178.424 176.300 -0.241 0.000 1.127 187 R CA 1.573 57.574 56.100 -0.165 0.000 0.968 187 R CB -0.189 30.038 30.300 -0.122 0.000 0.861 187 R HN 0.280 nan 8.270 nan 0.000 0.440 188 I N 0.195 120.530 120.570 -0.392 0.000 2.163 188 I HA -0.215 3.956 4.170 0.001 0.000 0.240 188 I C 2.544 178.336 176.117 -0.543 0.000 1.081 188 I CA 1.248 62.177 61.300 -0.618 0.000 1.353 188 I CB -0.453 37.063 38.000 -0.807 0.000 1.054 188 I HN 0.230 nan 8.210 nan 0.000 0.407 189 A N 0.874 123.318 122.820 -0.627 0.000 1.940 189 A HA -0.269 4.051 4.320 0.001 0.000 0.219 189 A C 2.346 179.771 177.584 -0.265 0.000 1.176 189 A CA 2.129 53.869 52.037 -0.494 0.000 0.631 189 A CB -0.596 18.032 19.000 -0.622 0.000 0.814 189 A HN 0.345 nan 8.150 nan 0.000 0.446 190 R N -0.260 120.105 120.500 -0.224 0.000 2.075 190 R HA -0.106 4.234 4.340 0.001 0.000 0.232 190 R C 2.218 178.471 176.300 -0.079 0.000 1.126 190 R CA 1.771 57.795 56.100 -0.126 0.000 0.963 190 R CB -0.422 29.814 30.300 -0.107 0.000 0.858 190 R HN 0.391 nan 8.270 nan 0.000 0.435 191 R N 0.991 121.448 120.500 -0.071 0.000 2.096 191 R HA -0.127 4.214 4.340 0.001 0.000 0.240 191 R C 1.979 178.296 176.300 0.029 0.000 1.139 191 R CA 2.294 58.403 56.100 0.014 0.000 0.952 191 R CB -0.429 29.937 30.300 0.110 0.000 0.854 191 R HN 0.303 nan 8.270 nan 0.000 0.436 192 K N -0.163 120.232 120.400 -0.009 0.000 2.211 192 K HA -0.172 4.149 4.320 0.001 0.000 0.203 192 K C 2.102 178.696 176.600 -0.009 0.000 1.050 192 K CA 1.470 57.763 56.287 0.009 0.000 0.945 192 K CB -0.052 32.441 32.500 -0.011 0.000 0.732 192 K HN 0.419 nan 8.250 nan 0.000 0.451 193 Q N 0.175 119.952 119.800 -0.038 0.000 2.079 193 Q HA -0.134 4.207 4.340 0.001 0.000 0.200 193 Q C 1.758 177.750 176.000 -0.013 0.000 0.974 193 Q CA 1.594 57.379 55.803 -0.030 0.000 0.840 193 Q CB 0.142 28.851 28.738 -0.047 0.000 0.898 193 Q HN 0.165 nan 8.270 nan 0.000 0.430 194 V N 0.443 120.351 119.914 -0.010 0.000 2.488 194 V HA -0.090 4.031 4.120 0.001 0.000 0.246 194 V C 0.774 176.873 176.094 0.008 0.000 1.046 194 V CA 1.428 63.727 62.300 -0.002 0.000 1.053 194 V CB 0.057 31.878 31.823 -0.003 0.000 0.679 194 V HN 0.297 nan 8.190 nan 0.000 0.458 195 E N -0.071 120.139 120.200 0.018 0.000 2.376 195 E HA 0.277 4.628 4.350 0.001 0.000 0.236 195 E C -2.084 174.534 176.600 0.030 0.000 0.962 195 E CA -2.748 53.667 56.400 0.024 0.000 0.768 195 E CB 1.443 31.161 29.700 0.031 0.000 1.236 195 E HN 0.177 nan 8.360 nan 0.000 0.431 196 P HA -0.054 nan 4.420 nan 0.000 0.223 196 P C 1.096 178.418 177.300 0.036 0.000 1.144 196 P CA 1.096 64.212 63.100 0.026 0.000 0.783 196 P CB 0.366 32.078 31.700 0.019 0.000 0.771 197 G N -0.389 108.433 108.800 0.035 0.000 2.470 197 G HA2 -0.133 3.828 3.960 0.001 0.000 0.220 197 G HA3 -0.133 3.828 3.960 0.001 0.000 0.220 197 G C 0.508 175.439 174.900 0.051 0.000 1.121 197 G CA 0.010 45.133 45.100 0.039 0.000 0.766 197 G HN 0.180 nan 8.290 nan 0.000 0.553 198 V N 1.050 121.003 119.914 0.065 0.000 2.557 198 V HA 0.055 4.176 4.120 0.001 0.000 0.301 198 V C 0.353 176.521 176.094 0.123 0.000 1.026 198 V CA 0.567 62.927 62.300 0.100 0.000 1.137 198 V CB 0.714 32.630 31.823 0.155 0.000 0.917 198 V HN 0.248 nan 8.190 nan 0.000 0.484 199 K N 5.880 126.359 120.400 0.131 0.000 2.185 199 K HA 0.633 4.954 4.320 0.001 0.000 0.269 199 K C -0.809 175.929 176.600 0.230 0.000 0.987 199 K CA -0.425 55.952 56.287 0.151 0.000 0.865 199 K CB 1.652 34.225 32.500 0.122 0.000 1.090 199 K HN 0.529 nan 8.250 nan 0.000 0.450 200 I N 4.697 125.400 120.570 0.221 0.000 2.389 200 I HA 0.313 4.484 4.170 0.001 0.000 0.288 200 I C -0.542 175.719 176.117 0.239 0.000 0.999 200 I CA -0.999 60.457 61.300 0.260 0.000 1.129 200 I CB 1.316 39.426 38.000 0.182 0.000 1.288 200 I HN 0.321 nan 8.210 nan 0.000 0.444 201 I N 7.153 127.905 120.570 0.303 0.000 2.339 201 I HA 0.374 4.545 4.170 0.001 0.000 0.290 201 I C -0.051 176.194 176.117 0.214 0.000 0.994 201 I CA -0.816 60.666 61.300 0.303 0.000 1.191 201 I CB 1.501 39.804 38.000 0.504 0.000 1.343 201 I HN 0.154 nan 8.210 nan 0.000 0.458 202 V N 5.686 125.683 119.914 0.139 0.000 2.384 202 V HA 0.694 4.815 4.120 0.001 0.000 0.287 202 V C 0.293 176.383 176.094 -0.006 0.000 1.020 202 V CA -0.588 61.756 62.300 0.073 0.000 0.850 202 V CB 1.610 33.488 31.823 0.091 0.000 0.987 202 V HN 0.872 nan 8.190 nan 0.000 0.436 203 A N 4.028 126.750 122.820 -0.163 0.000 2.323 203 A HA 0.789 5.110 4.320 0.001 0.000 0.305 203 A C -0.843 176.526 177.584 -0.357 0.000 1.275 203 A CA -0.306 51.455 52.037 -0.460 0.000 0.804 203 A CB 0.639 19.407 19.000 -0.387 0.000 1.152 203 A HN 0.742 nan 8.150 nan 0.000 0.487 204 D N 3.470 123.596 120.400 -0.457 0.000 2.711 204 D HA 0.248 4.889 4.640 0.001 0.000 0.204 204 D C -2.605 173.663 176.300 -0.054 0.000 1.257 204 D CA -0.935 53.019 54.000 -0.077 0.000 0.808 204 D CB 2.111 42.933 40.800 0.038 0.000 1.780 204 D HN 0.080 nan 8.370 nan 0.000 0.537 205 P HA -0.050 nan 4.420 nan 0.000 0.221 205 P C -0.052 177.310 177.300 0.103 0.000 1.145 205 P CA 0.918 64.055 63.100 0.063 0.000 0.795 205 P CB 0.253 32.013 31.700 0.100 0.000 0.775 206 R N -0.012 120.556 120.500 0.113 0.000 2.474 206 R HA 0.392 4.733 4.340 0.001 0.000 0.295 206 R C 0.434 176.741 176.300 0.011 0.000 0.980 206 R CA -0.790 55.361 56.100 0.085 0.000 0.934 206 R CB 1.265 31.601 30.300 0.060 0.000 1.101 206 R HN -0.095 nan 8.270 nan 0.000 0.469 207 R N 2.140 122.604 120.500 -0.061 0.000 2.205 207 R HA 0.115 4.455 4.340 0.001 0.000 0.342 207 R C -0.424 175.753 176.300 -0.205 0.000 1.058 207 R CA -0.098 55.802 56.100 -0.333 0.000 0.904 207 R CB 0.427 30.608 30.300 -0.197 0.000 1.089 207 R HN 0.794 nan 8.270 nan 0.000 0.471 208 T N 0.286 114.699 114.554 -0.236 0.000 2.922 208 T HA 0.233 4.584 4.350 0.001 0.000 0.281 208 T C 0.971 175.563 174.700 -0.180 0.000 1.005 208 T CA -0.945 61.059 62.100 -0.161 0.000 0.982 208 T CB 1.101 69.886 68.868 -0.138 0.000 1.158 208 T HN 0.426 nan 8.240 nan 0.000 0.566 209 N N 0.499 119.088 118.700 -0.186 0.000 2.289 209 N HA -0.075 4.666 4.740 0.001 0.000 0.184 209 N C 1.909 177.264 175.510 -0.259 0.000 1.016 209 N CA 1.378 54.306 53.050 -0.203 0.000 0.872 209 N CB -1.090 37.260 38.487 -0.228 0.000 0.973 209 N HN 0.727 nan 8.380 nan 0.000 0.433 210 T N 0.624 114.961 114.554 -0.361 0.000 2.737 210 T HA -0.178 4.173 4.350 0.001 0.000 0.269 210 T C 2.116 176.817 174.700 0.001 0.000 1.040 210 T CA 1.731 63.677 62.100 -0.255 0.000 1.142 210 T CB -0.445 68.308 68.868 -0.193 0.000 0.861 210 T HN 0.506 nan 8.240 nan 0.000 0.456 211 S N 1.516 117.159 115.700 -0.095 0.000 2.469 211 S HA -0.074 4.396 4.470 0.001 0.000 0.238 211 S C 1.859 176.460 174.600 0.002 0.000 0.998 211 S CA 0.434 58.585 58.200 -0.082 0.000 0.957 211 S CB -0.313 62.706 63.200 -0.301 0.000 0.764 211 S HN 0.283 nan 8.310 nan 0.000 0.514 212 R N 1.402 121.916 120.500 0.024 0.000 2.323 212 R HA 0.233 4.574 4.340 0.001 0.000 0.198 212 R C 1.755 178.103 176.300 0.081 0.000 0.988 212 R CA 0.768 56.896 56.100 0.046 0.000 1.041 212 R CB -0.805 29.516 30.300 0.035 0.000 0.926 212 R HN 0.854 nan 8.270 nan 0.000 0.476 213 I N -3.555 117.086 120.570 0.118 0.000 4.025 213 I HA 0.390 4.561 4.170 0.001 0.000 0.336 213 I C 0.414 176.570 176.117 0.066 0.000 1.390 213 I CA -0.473 60.867 61.300 0.067 0.000 1.099 213 I CB 0.473 38.474 38.000 0.001 0.000 1.049 213 I HN -0.248 nan 8.210 nan 0.000 0.394 214 A N 1.157 124.029 122.820 0.086 0.000 2.354 214 A HA 0.298 4.619 4.320 0.001 0.000 0.269 214 A C 0.216 177.862 177.584 0.102 0.000 1.109 214 A CA -0.204 51.896 52.037 0.105 0.000 0.800 214 A CB 0.253 19.323 19.000 0.117 0.000 1.045 214 A HN 0.394 nan 8.150 nan 0.000 0.489 215 D N 0.371 120.841 120.400 0.118 0.000 2.269 215 D HA 0.074 4.715 4.640 0.001 0.000 0.208 215 D C 0.391 176.761 176.300 0.117 0.000 0.963 215 D CA 1.337 55.404 54.000 0.111 0.000 0.864 215 D CB 0.066 40.938 40.800 0.119 0.000 0.936 215 D HN 0.545 nan 8.370 nan 0.000 0.505 216 M N 0.124 119.805 119.600 0.135 0.000 2.294 216 M HA 0.119 4.599 4.480 0.001 0.000 0.280 216 M C -2.094 174.293 176.300 0.146 0.000 1.085 216 M CA -0.598 54.782 55.300 0.133 0.000 0.969 216 M CB 2.011 34.700 32.600 0.148 0.000 1.770 216 M HN -0.093 nan 8.290 nan 0.000 0.485 217 H N 5.054 124.130 119.070 0.010 0.000 2.581 217 H HA 0.521 5.077 4.556 0.001 0.000 0.308 217 H C -1.615 173.641 175.328 -0.119 0.000 1.040 217 H CA -0.554 55.461 56.048 -0.055 0.000 1.231 217 H CB 1.120 30.852 29.762 -0.051 0.000 1.396 217 H HN 0.566 nan 8.280 nan 0.000 0.467 218 V N 5.521 125.093 119.914 -0.569 0.000 2.322 218 V HA 0.175 4.296 4.120 0.001 0.000 0.258 218 V C 0.842 176.252 176.094 -1.140 0.000 1.074 218 V CA -0.272 61.579 62.300 -0.749 0.000 0.909 218 V CB 0.375 31.737 31.823 -0.768 0.000 1.090 218 V HN 0.849 nan 8.190 nan 0.000 0.486 219 A N 6.728 128.987 122.820 -0.935 0.000 3.118 219 A HA 0.547 4.868 4.320 0.001 0.000 0.256 219 A C 0.243 177.652 177.584 -0.291 0.000 1.667 219 A CA -0.483 51.188 52.037 -0.610 0.000 1.338 219 A CB -0.835 17.967 19.000 -0.331 0.000 1.127 219 A HN 0.678 nan 8.150 nan 0.000 0.634 220 F N -0.843 118.972 119.950 -0.225 0.000 2.444 220 F HA 0.499 5.027 4.527 0.001 0.000 0.331 220 F C 0.704 176.432 175.800 -0.119 0.000 1.167 220 F CA -2.019 55.886 58.000 -0.157 0.000 1.262 220 F CB 0.265 39.145 39.000 -0.200 0.000 1.196 220 F HN 0.423 nan 8.300 nan 0.000 0.583 221 R N 2.060 122.667 120.500 0.178 0.000 2.489 221 R HA 0.250 4.590 4.340 0.001 0.000 0.287 221 R C -2.599 173.605 176.300 -0.160 0.000 1.053 221 R CA -1.358 54.741 56.100 -0.001 0.000 1.036 221 R CB -0.036 30.282 30.300 0.030 0.000 0.966 221 R HN 0.379 nan 8.270 nan 0.000 0.432 222 P HA -0.082 nan 4.420 nan 0.000 0.261 222 P C 0.257 177.321 177.300 -0.395 0.000 1.165 222 P CA 1.659 64.476 63.100 -0.472 0.000 0.759 222 P CB 0.540 31.694 31.700 -0.910 0.000 0.772 223 G N 2.459 111.109 108.800 -0.250 0.000 2.179 223 G HA2 -0.300 3.661 3.960 0.001 0.000 0.260 223 G HA3 -0.300 3.661 3.960 0.001 0.000 0.260 223 G C 0.792 175.588 174.900 -0.174 0.000 0.977 223 G CA 0.623 45.622 45.100 -0.169 0.000 0.641 223 G HN 0.653 nan 8.290 nan 0.000 0.533 224 T N -0.959 113.443 114.554 -0.252 0.000 3.122 224 T HA 0.281 4.632 4.350 0.001 0.000 0.250 224 T C 1.650 176.164 174.700 -0.311 0.000 1.067 224 T CA 1.138 63.127 62.100 -0.186 0.000 0.966 224 T CB 0.056 68.876 68.868 -0.079 0.000 1.002 224 T HN 0.384 nan 8.240 nan 0.000 0.542 225 D N 1.746 121.787 120.400 -0.599 0.000 2.219 225 D HA -0.057 4.584 4.640 0.001 0.000 0.205 225 D C 1.711 177.882 176.300 -0.215 0.000 0.970 225 D CA 0.345 53.939 54.000 -0.678 0.000 0.851 225 D CB -0.582 39.654 40.800 -0.941 0.000 0.943 225 D HN 0.361 nan 8.370 nan 0.000 0.488 226 L N 0.852 121.960 121.223 -0.190 0.000 2.017 226 L HA -0.019 4.321 4.340 0.001 0.000 0.208 226 L C 2.710 179.458 176.870 -0.202 0.000 1.073 226 L CA 1.752 56.471 54.840 -0.202 0.000 0.745 226 L CB -0.836 41.144 42.059 -0.132 0.000 0.894 226 L HN 0.129 nan 8.230 nan 0.000 0.432 227 A N -1.084 121.722 122.820 -0.024 0.000 1.902 227 A HA -0.257 4.064 4.320 0.001 0.000 0.217 227 A C 2.280 179.913 177.584 0.081 0.000 1.181 227 A CA 1.567 53.676 52.037 0.121 0.000 0.623 227 A CB -0.971 18.169 19.000 0.233 0.000 0.818 227 A HN 0.378 nan 8.150 nan 0.000 0.443 228 F N 0.248 120.169 119.950 -0.047 0.000 2.095 228 F HA -0.215 4.313 4.527 0.001 0.000 0.298 228 F C 2.406 178.202 175.800 -0.006 0.000 1.104 228 F CA 2.281 60.288 58.000 0.012 0.000 1.232 228 F CB -0.200 38.855 39.000 0.092 0.000 0.987 228 F HN 0.146 nan 8.300 nan 0.000 0.475 229 M N -1.181 118.484 119.600 0.109 0.000 2.229 229 M HA -0.199 4.281 4.480 0.001 0.000 0.264 229 M C 2.126 178.338 176.300 -0.146 0.000 1.063 229 M CA 1.058 56.334 55.300 -0.040 0.000 1.114 229 M CB -0.707 31.869 32.600 -0.039 0.000 1.387 229 M HN 0.160 nan 8.290 nan 0.000 0.420 230 H N -0.771 118.184 119.070 -0.192 0.000 2.353 230 H HA -0.060 4.497 4.556 0.001 0.000 0.300 230 H C 2.477 177.712 175.328 -0.156 0.000 1.090 230 H CA 1.497 57.390 56.048 -0.258 0.000 1.327 230 H CB -0.478 28.839 29.762 -0.741 0.000 1.383 230 H HN 0.271 nan 8.280 nan 0.000 0.508 231 S N -0.062 115.621 115.700 -0.029 0.000 2.383 231 S HA -0.140 4.330 4.470 0.001 0.000 0.229 231 S C 2.242 176.749 174.600 -0.155 0.000 1.030 231 S CA 1.110 59.247 58.200 -0.106 0.000 1.002 231 S CB -0.132 62.917 63.200 -0.252 0.000 0.829 231 S HN 0.275 nan 8.310 nan 0.000 0.467 232 M N 0.679 120.112 119.600 -0.277 0.000 2.108 232 M HA -0.124 4.357 4.480 0.001 0.000 0.261 232 M C 2.413 178.624 176.300 -0.148 0.000 1.066 232 M CA 1.642 56.784 55.300 -0.264 0.000 1.107 232 M CB -0.513 31.875 32.600 -0.352 0.000 1.356 232 M HN 0.441 nan 8.290 nan 0.000 0.406 233 A N -0.636 122.118 122.820 -0.109 0.000 1.933 233 A HA -0.221 4.099 4.320 0.001 0.000 0.218 233 A C 1.860 179.398 177.584 -0.076 0.000 1.175 233 A CA 1.355 53.351 52.037 -0.068 0.000 0.628 233 A CB -1.259 17.745 19.000 0.007 0.000 0.814 233 A HN 0.771 nan 8.150 nan 0.000 0.444 234 W N 0.692 121.870 121.300 -0.203 0.000 2.335 234 W HA -0.229 4.432 4.660 0.001 0.000 0.311 234 W C 1.965 178.406 176.519 -0.130 0.000 1.213 234 W CA 2.553 59.782 57.345 -0.193 0.000 1.274 234 W CB -0.278 29.077 29.460 -0.175 0.000 1.148 234 W HN 0.116 nan 8.180 nan 0.000 0.498 235 V N 1.209 121.236 119.914 0.188 0.000 2.295 235 V HA -0.343 3.778 4.120 0.001 0.000 0.246 235 V C 2.178 178.235 176.094 -0.062 0.000 1.049 235 V CA 2.170 64.520 62.300 0.083 0.000 1.024 235 V CB -0.984 30.908 31.823 0.114 0.000 0.648 235 V HN 0.239 nan 8.190 nan 0.000 0.447 236 I N -0.319 120.223 120.570 -0.046 0.000 2.127 236 I HA -0.260 3.911 4.170 0.001 0.000 0.241 236 I C 2.323 178.429 176.117 -0.019 0.000 1.075 236 I CA 1.546 62.843 61.300 -0.006 0.000 1.334 236 I CB -0.394 37.617 38.000 0.018 0.000 1.040 236 I HN 0.215 nan 8.210 nan 0.000 0.405 237 I N 0.529 121.043 120.570 -0.094 0.000 2.202 237 I HA -0.265 3.906 4.170 0.001 0.000 0.242 237 I C 2.306 178.296 176.117 -0.211 0.000 1.091 237 I CA 1.689 62.941 61.300 -0.080 0.000 1.368 237 I CB -1.802 36.068 38.000 -0.216 0.000 1.058 237 I HN 0.343 nan 8.210 nan 0.000 0.410 238 N N 1.189 119.591 118.700 -0.496 0.000 2.166 238 N HA -0.204 4.537 4.740 0.001 0.000 0.186 238 N C 1.411 176.779 175.510 -0.237 0.000 1.019 238 N CA 1.254 53.965 53.050 -0.565 0.000 0.856 238 N CB 0.061 37.842 38.487 -1.177 0.000 0.993 238 N HN 0.391 nan 8.380 nan 0.000 0.426 239 E N -0.043 120.078 120.200 -0.132 0.000 2.444 239 E HA 0.060 4.411 4.350 0.001 0.000 0.191 239 E C -0.661 175.944 176.600 0.010 0.000 1.041 239 E CA -0.024 56.361 56.400 -0.026 0.000 0.883 239 E CB 0.245 29.962 29.700 0.028 0.000 1.024 239 E HN 0.346 nan 8.360 nan 0.000 0.470 240 E N 0.122 120.331 120.200 0.015 0.000 2.416 240 E HA -0.208 4.142 4.350 0.001 0.000 0.249 240 E C 0.096 176.745 176.600 0.082 0.000 1.124 240 E CA 0.032 56.469 56.400 0.062 0.000 0.732 240 E CB -1.337 28.392 29.700 0.049 0.000 1.286 240 E HN 0.338 nan 8.360 nan 0.000 0.394 241 L N 0.301 121.580 121.223 0.093 0.000 2.769 241 L HA 0.132 4.473 4.340 0.001 0.000 0.240 241 L C 1.071 178.031 176.870 0.150 0.000 1.163 241 L CA -0.321 54.582 54.840 0.106 0.000 0.962 241 L CB -0.107 42.008 42.059 0.094 0.000 1.258 241 L HN 0.220 nan 8.230 nan 0.000 0.513 242 D N -1.049 119.472 120.400 0.202 0.000 2.478 242 D HA 0.032 4.673 4.640 0.001 0.000 0.269 242 D C -0.198 176.269 176.300 0.279 0.000 1.232 242 D CA -0.454 53.729 54.000 0.304 0.000 1.059 242 D CB 0.987 42.062 40.800 0.459 0.000 1.104 242 D HN -0.196 nan 8.370 nan 0.000 0.566 243 N N 0.175 119.093 118.700 0.365 0.000 2.804 243 N HA 0.206 4.946 4.740 0.001 0.000 0.251 243 N C -2.109 173.374 175.510 -0.045 0.000 1.250 243 N CA -1.980 51.195 53.050 0.208 0.000 0.820 243 N CB 1.344 39.984 38.487 0.254 0.000 1.156 243 N HN 0.081 nan 8.380 nan 0.000 0.512 244 P HA -0.069 nan 4.420 nan 0.000 0.221 244 P C 1.188 178.021 177.300 -0.777 0.000 1.150 244 P CA 0.633 62.995 63.100 -1.231 0.000 0.800 244 P CB 0.624 31.790 31.700 -0.892 0.000 0.787 245 R N -0.904 119.408 120.500 -0.313 0.000 2.105 245 R HA -0.119 4.221 4.340 0.001 0.000 0.239 245 R C 2.241 178.527 176.300 -0.022 0.000 1.135 245 R CA 1.016 57.026 56.100 -0.152 0.000 0.967 245 R CB -1.732 28.554 30.300 -0.024 0.000 0.861 245 R HN 0.292 nan 8.270 nan 0.000 0.442 246 F N 1.165 121.116 119.950 0.002 0.000 2.053 246 F HA -0.194 4.334 4.527 0.001 0.000 0.292 246 F C 2.465 178.423 175.800 0.264 0.000 1.125 246 F CA 1.602 59.765 58.000 0.272 0.000 1.193 246 F CB -0.586 38.610 39.000 0.326 0.000 0.996 246 F HN 0.158 nan 8.300 nan 0.000 0.470 247 W N 0.573 122.049 121.300 0.294 0.000 2.425 247 W HA -0.092 4.568 4.660 0.001 0.000 0.277 247 W C 1.614 178.141 176.519 0.014 0.000 1.231 247 W CA 0.718 58.143 57.345 0.134 0.000 1.248 247 W CB -1.345 28.270 29.460 0.259 0.000 1.117 247 W HN 0.239 nan 8.180 nan 0.000 0.568 248 Q N 0.891 120.526 119.800 -0.275 0.000 2.170 248 Q HA -0.181 4.160 4.340 0.001 0.000 0.203 248 Q C 2.415 178.327 176.000 -0.147 0.000 0.976 248 Q CA 1.943 57.621 55.803 -0.208 0.000 0.858 248 Q CB -0.164 28.271 28.738 -0.504 0.000 0.907 248 Q HN 0.331 nan 8.270 nan 0.000 0.433 249 R N -1.195 119.128 120.500 -0.294 0.000 2.175 249 R HA 0.003 4.344 4.340 0.001 0.000 0.202 249 R C 0.681 176.662 176.300 -0.532 0.000 1.018 249 R CA 0.619 56.416 56.100 -0.506 0.000 1.029 249 R CB 0.440 30.245 30.300 -0.825 0.000 0.959 249 R HN 0.209 nan 8.270 nan 0.000 0.480 250 Y N -0.882 119.305 120.300 -0.189 0.000 2.500 250 Y HA 0.352 4.902 4.550 0.001 0.000 0.246 250 Y C -0.439 175.353 175.900 -0.179 0.000 1.146 250 Y CA -0.692 57.308 58.100 -0.167 0.000 1.230 250 Y CB 1.722 39.922 38.460 -0.433 0.000 1.214 250 Y HN -0.210 nan 8.280 nan 0.000 0.526 251 V N 0.978 120.857 119.914 -0.059 0.000 2.823 251 V HA 0.372 4.493 4.120 0.001 0.000 0.312 251 V C -0.674 175.270 176.094 -0.249 0.000 1.072 251 V CA -1.048 61.129 62.300 -0.205 0.000 0.937 251 V CB 2.002 33.689 31.823 -0.228 0.000 1.013 251 V HN 0.103 nan 8.190 nan 0.000 0.430 252 N N 1.452 119.908 118.700 -0.408 0.000 2.362 252 N HA 0.661 5.401 4.740 0.001 0.000 0.299 252 N C -1.405 173.680 175.510 -0.708 0.000 1.170 252 N CA -0.351 52.471 53.050 -0.380 0.000 0.825 252 N CB 2.094 40.421 38.487 -0.266 0.000 1.299 252 N HN 0.455 nan 8.380 nan 0.000 0.502 253 F N 0.985 120.737 119.950 -0.331 0.000 2.482 253 F HA 0.502 5.030 4.527 0.001 0.000 0.331 253 F C 0.255 175.788 175.800 -0.445 0.000 1.115 253 F CA -0.701 57.042 58.000 -0.429 0.000 0.955 253 F CB 1.357 40.159 39.000 -0.331 0.000 1.136 253 F HN -0.012 nan 8.300 nan 0.000 0.452 254 M N 3.301 122.641 119.600 -0.435 0.000 2.311 254 M HA 0.258 4.739 4.480 0.001 0.000 0.325 254 M C -0.661 175.484 176.300 -0.258 0.000 1.061 254 M CA -0.901 54.138 55.300 -0.435 0.000 0.957 254 M CB 1.697 33.736 32.600 -0.933 0.000 1.646 254 M HN 0.633 nan 8.290 nan 0.000 0.434 255 D N 2.181 122.491 120.400 -0.150 0.000 2.414 255 D HA 0.330 4.971 4.640 0.001 0.000 0.259 255 D C 1.070 177.300 176.300 -0.116 0.000 1.269 255 D CA -0.327 53.593 54.000 -0.135 0.000 1.028 255 D CB 0.355 41.122 40.800 -0.054 0.000 1.093 255 D HN 0.586 nan 8.370 nan 0.000 0.545 256 A N -0.604 122.158 122.820 -0.096 0.000 2.024 256 A HA -0.217 4.104 4.320 0.001 0.000 0.220 256 A C 1.842 179.450 177.584 0.040 0.000 1.164 256 A CA 1.554 53.584 52.037 -0.012 0.000 0.643 256 A CB -0.822 18.278 19.000 0.166 0.000 0.806 256 A HN 0.675 nan 8.150 nan 0.000 0.451 257 E N -1.746 118.482 120.200 0.048 0.000 2.489 257 E HA 0.269 4.620 4.350 0.001 0.000 0.193 257 E C 1.014 177.669 176.600 0.091 0.000 1.057 257 E CA 0.238 56.677 56.400 0.066 0.000 0.866 257 E CB -0.062 29.671 29.700 0.056 0.000 0.916 257 E HN 0.733 nan 8.360 nan 0.000 0.500 258 G N 1.945 110.817 108.800 0.119 0.000 2.147 258 G HA2 -0.229 3.731 3.960 0.001 0.000 0.244 258 G HA3 -0.229 3.731 3.960 0.001 0.000 0.244 258 G C 0.023 174.998 174.900 0.124 0.000 1.005 258 G CA 0.009 45.258 45.100 0.248 0.000 0.713 258 G HN -0.038 nan 8.290 nan 0.000 0.515 259 K N 0.266 120.686 120.400 0.033 0.000 2.123 259 K HA 0.499 4.820 4.320 0.001 0.000 0.259 259 K C -2.421 174.142 176.600 -0.062 0.000 0.960 259 K CA -2.265 54.019 56.287 -0.005 0.000 0.872 259 K CB 1.360 33.864 32.500 0.008 0.000 1.079 259 K HN -0.033 nan 8.250 nan 0.000 0.440 260 P HA -0.018 nan 4.420 nan 0.000 0.263 260 P C -0.244 177.027 177.300 -0.049 0.000 1.175 260 P CA 0.527 63.582 63.100 -0.075 0.000 0.761 260 P CB 0.683 32.355 31.700 -0.046 0.000 0.794 261 S N 1.231 116.907 115.700 -0.039 0.000 3.121 261 S HA 0.693 5.164 4.470 0.001 0.000 0.324 261 S C -1.697 172.904 174.600 0.001 0.000 1.192 261 S CA -0.394 57.788 58.200 -0.030 0.000 0.937 261 S CB 0.722 63.889 63.200 -0.055 0.000 1.336 261 S HN 0.541 nan 8.310 nan 0.000 0.664 262 D N -0.706 119.630 120.400 -0.107 0.000 2.759 262 D HA 0.297 4.937 4.640 0.001 0.000 0.321 262 D C 0.286 176.087 176.300 -0.831 0.000 1.267 262 D CA -0.628 53.227 54.000 -0.242 0.000 0.933 262 D CB -0.552 40.208 40.800 -0.066 0.000 1.431 262 D HN 0.352 nan 8.370 nan 0.000 0.504 263 F N 0.739 119.987 119.950 -1.170 0.000 2.134 263 F HA -0.080 4.448 4.527 0.001 0.000 0.299 263 F C 1.935 177.394 175.800 -0.568 0.000 1.097 263 F CA 1.671 58.901 58.000 -1.283 0.000 1.264 263 F CB 0.025 38.376 39.000 -1.081 0.000 1.001 263 F HN 0.239 nan 8.300 nan 0.000 0.479 264 E N 0.345 120.346 120.200 -0.332 0.000 2.077 264 E HA -0.145 4.206 4.350 0.001 0.000 0.193 264 E C 2.546 178.989 176.600 -0.262 0.000 0.989 264 E CA 1.140 57.374 56.400 -0.277 0.000 0.800 264 E CB -1.176 28.468 29.700 -0.094 0.000 0.746 264 E HN 0.538 nan 8.360 nan 0.000 0.452 265 G N 0.378 109.046 108.800 -0.220 0.000 2.440 265 G HA2 -0.306 3.654 3.960 0.001 0.000 0.218 265 G HA3 -0.306 3.654 3.960 0.001 0.000 0.218 265 G C 1.546 176.393 174.900 -0.089 0.000 1.154 265 G CA 0.830 45.850 45.100 -0.133 0.000 0.767 265 G HN 0.250 nan 8.290 nan 0.000 0.552 266 Y N 1.674 121.735 120.300 -0.398 0.000 2.128 266 Y HA -0.073 4.478 4.550 0.001 0.000 0.284 266 Y C 2.766 178.518 175.900 -0.247 0.000 1.154 266 Y CA 1.647 59.551 58.100 -0.327 0.000 1.149 266 Y CB -0.305 37.845 38.460 -0.517 0.000 0.976 266 Y HN 0.138 nan 8.280 nan 0.000 0.505 267 K N -0.422 119.686 120.400 -0.488 0.000 2.057 267 K HA -0.158 4.162 4.320 0.001 0.000 0.207 267 K C 2.322 178.791 176.600 -0.218 0.000 1.049 267 K CA 1.153 57.156 56.287 -0.473 0.000 0.931 267 K CB -0.402 31.757 32.500 -0.567 0.000 0.714 267 K HN 0.351 nan 8.250 nan 0.000 0.440 268 A N 1.299 124.032 122.820 -0.145 0.000 1.877 268 A HA -0.190 4.131 4.320 0.001 0.000 0.216 268 A C 2.012 179.585 177.584 -0.017 0.000 1.186 268 A CA 1.283 53.282 52.037 -0.063 0.000 0.620 268 A CB -0.754 18.219 19.000 -0.044 0.000 0.822 268 A HN 0.377 nan 8.150 nan 0.000 0.443 269 F N 0.671 120.560 119.950 -0.102 0.000 2.095 269 F HA -0.147 4.381 4.527 0.001 0.000 0.298 269 F C 1.773 177.550 175.800 -0.038 0.000 1.104 269 F CA 1.817 59.781 58.000 -0.060 0.000 1.232 269 F CB -0.247 38.732 39.000 -0.034 0.000 0.987 269 F HN 0.127 nan 8.300 nan 0.000 0.475 270 L N 0.246 121.431 121.223 -0.065 0.000 2.362 270 L HA -0.137 4.204 4.340 0.001 0.000 0.219 270 L C 2.196 179.098 176.870 0.054 0.000 1.134 270 L CA 0.598 55.408 54.840 -0.050 0.000 0.807 270 L CB -0.707 41.285 42.059 -0.111 0.000 0.927 270 L HN 0.126 nan 8.230 nan 0.000 0.447 271 E N 0.089 120.280 120.200 -0.015 0.000 2.265 271 E HA -0.212 4.139 4.350 0.001 0.000 0.196 271 E C 1.514 177.953 176.600 -0.268 0.000 0.996 271 E CA 0.757 57.126 56.400 -0.052 0.000 0.832 271 E CB -0.262 29.416 29.700 -0.037 0.000 0.756 271 E HN 0.385 nan 8.360 nan 0.000 0.491 272 N N -0.343 118.110 118.700 -0.410 0.000 2.571 272 N HA -0.112 4.628 4.740 0.001 0.000 0.189 272 N C -0.328 174.577 175.510 -1.008 0.000 1.154 272 N CA 0.426 53.060 53.050 -0.695 0.000 0.907 272 N CB 0.045 38.014 38.487 -0.863 0.000 0.977 272 N HN 0.132 nan 8.380 nan 0.000 0.449 273 Y N -0.219 119.851 120.300 -0.383 0.000 2.634 273 Y HA 0.375 4.926 4.550 0.001 0.000 0.292 273 Y C -0.097 175.497 175.900 -0.508 0.000 0.996 273 Y CA -0.769 57.127 58.100 -0.340 0.000 1.165 273 Y CB 0.084 38.417 38.460 -0.212 0.000 1.194 273 Y HN -0.288 nan 8.280 nan 0.000 0.585 274 R N 1.044 121.167 120.500 -0.629 0.000 2.590 274 R HA 0.059 4.399 4.340 0.001 0.000 0.274 274 R C -1.725 174.195 176.300 -0.634 0.000 1.061 274 R CA -1.261 54.240 56.100 -0.999 0.000 1.081 274 R CB 0.287 30.066 30.300 -0.868 0.000 0.984 274 R HN 0.104 nan 8.270 nan 0.000 0.448 275 P HA -0.196 nan 4.420 nan 0.000 0.216 275 P C 0.386 177.532 177.300 -0.258 0.000 1.150 275 P CA 1.334 64.153 63.100 -0.467 0.000 0.843 275 P CB 0.324 31.609 31.700 -0.691 0.000 0.787 276 E N -0.497 119.575 120.200 -0.214 0.000 2.072 276 E HA -0.153 4.197 4.350 0.001 0.000 0.191 276 E C 1.949 178.483 176.600 -0.109 0.000 0.985 276 E CA 1.126 57.463 56.400 -0.104 0.000 0.801 276 E CB -0.655 29.001 29.700 -0.075 0.000 0.750 276 E HN 0.215 nan 8.360 nan 0.000 0.452 277 K N 0.382 120.683 120.400 -0.165 0.000 2.026 277 K HA -0.116 4.205 4.320 0.001 0.000 0.208 277 K C 1.869 178.407 176.600 -0.104 0.000 1.048 277 K CA 1.251 57.452 56.287 -0.144 0.000 0.929 277 K CB -0.021 32.359 32.500 -0.200 0.000 0.713 277 K HN -0.003 nan 8.250 nan 0.000 0.439 278 V N 1.009 120.851 119.914 -0.120 0.000 2.667 278 V HA -0.149 3.971 4.120 0.001 0.000 0.252 278 V C 2.281 178.391 176.094 0.026 0.000 1.065 278 V CA 1.616 63.893 62.300 -0.039 0.000 1.083 278 V CB -0.304 31.496 31.823 -0.038 0.000 0.692 278 V HN 0.455 nan 8.190 nan 0.000 0.468 279 A N 0.708 123.530 122.820 0.004 0.000 1.933 279 A HA -0.267 4.054 4.320 0.001 0.000 0.218 279 A C 2.205 179.831 177.584 0.071 0.000 1.175 279 A CA 2.139 54.215 52.037 0.067 0.000 0.628 279 A CB -0.406 18.621 19.000 0.046 0.000 0.814 279 A HN 0.640 nan 8.150 nan 0.000 0.444 280 E N 0.247 120.467 120.200 0.033 0.000 2.107 280 E HA -0.095 4.256 4.350 0.001 0.000 0.191 280 E C 1.640 178.267 176.600 0.044 0.000 0.982 280 E CA 1.270 57.689 56.400 0.032 0.000 0.809 280 E CB -0.457 29.247 29.700 0.007 0.000 0.756 280 E HN 0.617 nan 8.360 nan 0.000 0.459 281 I N 0.128 120.722 120.570 0.040 0.000 2.179 281 I HA -0.306 3.865 4.170 0.001 0.000 0.242 281 I C 1.959 178.126 176.117 0.083 0.000 1.088 281 I CA 1.042 62.374 61.300 0.053 0.000 1.357 281 I CB -0.220 37.807 38.000 0.044 0.000 1.051 281 I HN 0.303 nan 8.210 nan 0.000 0.409 282 C N 0.492 119.863 119.300 0.117 0.000 2.539 282 C HA 0.114 4.575 4.460 0.001 0.000 0.268 282 C C 0.947 176.028 174.990 0.151 0.000 1.395 282 C CA -0.402 58.713 59.018 0.161 0.000 1.757 282 C CB -1.000 26.916 27.740 0.295 0.000 1.851 282 C HN 0.466 nan 8.230 nan 0.000 0.545 283 R N -0.413 120.158 120.500 0.118 0.000 3.336 283 R HA -0.143 4.197 4.340 0.001 0.000 0.260 283 R C -0.528 175.827 176.300 0.092 0.000 1.032 283 R CA 0.954 57.111 56.100 0.095 0.000 0.693 283 R CB -2.591 27.762 30.300 0.089 0.000 1.134 283 R HN 0.657 nan 8.270 nan 0.000 0.433 284 V N -3.678 116.304 119.914 0.114 0.000 2.962 284 V HA 0.806 4.927 4.120 0.001 0.000 0.313 284 V C -2.384 173.777 176.094 0.112 0.000 1.099 284 V CA -2.790 59.574 62.300 0.107 0.000 0.971 284 V CB 2.789 34.700 31.823 0.147 0.000 1.028 284 V HN -0.085 nan 8.190 nan 0.000 0.430 285 P HA 0.168 nan 4.420 nan 0.000 0.267 285 P C 0.834 178.214 177.300 0.134 0.000 1.205 285 P CA 0.143 63.303 63.100 0.101 0.000 0.765 285 P CB 1.298 33.051 31.700 0.088 0.000 0.828 286 V N 3.700 123.689 119.914 0.125 0.000 2.469 286 V HA -0.253 3.867 4.120 0.001 0.000 0.251 286 V C 1.914 178.143 176.094 0.225 0.000 1.064 286 V CA 2.089 64.473 62.300 0.140 0.000 1.066 286 V CB -0.817 31.093 31.823 0.145 0.000 0.667 286 V HN 0.613 nan 8.190 nan 0.000 0.461 287 E N -0.585 119.757 120.200 0.237 0.000 2.265 287 E HA -0.287 4.064 4.350 0.001 0.000 0.196 287 E C 1.943 178.691 176.600 0.247 0.000 0.996 287 E CA 1.347 57.910 56.400 0.272 0.000 0.832 287 E CB -0.547 29.254 29.700 0.168 0.000 0.756 287 E HN 0.752 nan 8.360 nan 0.000 0.491 288 Q N 0.533 120.465 119.800 0.220 0.000 2.124 288 Q HA -0.059 4.282 4.340 0.001 0.000 0.202 288 Q C 2.513 178.698 176.000 0.309 0.000 0.977 288 Q CA 1.189 57.153 55.803 0.268 0.000 0.850 288 Q CB -0.252 28.649 28.738 0.273 0.000 0.901 288 Q HN 0.370 nan 8.270 nan 0.000 0.429 289 I N -0.260 120.391 120.570 0.135 0.000 2.142 289 I HA -0.301 3.870 4.170 0.001 0.000 0.240 289 I C 1.944 177.960 176.117 -0.169 0.000 1.078 289 I CA 1.435 62.582 61.300 -0.255 0.000 1.343 289 I CB -0.456 37.228 38.000 -0.526 0.000 1.046 289 I HN 0.135 nan 8.210 nan 0.000 0.405 290 Y N 1.088 121.409 120.300 0.034 0.000 2.145 290 Y HA -0.152 4.399 4.550 0.001 0.000 0.286 290 Y C 2.686 178.635 175.900 0.081 0.000 1.145 290 Y CA 1.527 59.665 58.100 0.063 0.000 1.148 290 Y CB -1.279 37.226 38.460 0.075 0.000 0.981 290 Y HN 0.120 nan 8.280 nan 0.000 0.507 291 G N -0.523 108.435 108.800 0.263 0.000 2.418 291 G HA2 -0.230 3.730 3.960 0.001 0.000 0.217 291 G HA3 -0.230 3.730 3.960 0.001 0.000 0.217 291 G C 1.902 176.924 174.900 0.202 0.000 1.158 291 G CA 1.067 46.293 45.100 0.210 0.000 0.771 291 G HN 0.481 nan 8.290 nan 0.000 0.545 292 A N 1.134 124.091 122.820 0.229 0.000 1.873 292 A HA 0.340 4.661 4.320 0.001 0.000 0.215 292 A C 2.834 180.506 177.584 0.147 0.000 1.186 292 A CA 2.137 54.327 52.037 0.254 0.000 0.616 292 A CB -0.844 18.412 19.000 0.425 0.000 0.823 292 A HN 0.769 nan 8.150 nan 0.000 0.442 293 A N 0.081 122.937 122.820 0.059 0.000 1.883 293 A HA -0.210 4.111 4.320 0.001 0.000 0.217 293 A C 2.264 179.915 177.584 0.111 0.000 1.186 293 A CA 1.759 53.802 52.037 0.010 0.000 0.624 293 A CB -0.505 18.476 19.000 -0.031 0.000 0.822 293 A HN 0.560 nan 8.150 nan 0.000 0.444 294 R N -0.616 119.966 120.500 0.136 0.000 2.075 294 R HA -0.020 4.321 4.340 0.001 0.000 0.232 294 R C 2.537 178.917 176.300 0.133 0.000 1.126 294 R CA 1.159 57.341 56.100 0.136 0.000 0.963 294 R CB -0.516 29.867 30.300 0.139 0.000 0.858 294 R HN 0.512 nan 8.270 nan 0.000 0.435 295 A N 1.066 123.975 122.820 0.148 0.000 1.865 295 A HA -0.223 4.098 4.320 0.001 0.000 0.217 295 A C 2.016 179.671 177.584 0.118 0.000 1.191 295 A CA 1.327 53.444 52.037 0.133 0.000 0.623 295 A CB -0.808 18.290 19.000 0.164 0.000 0.826 295 A HN 0.353 nan 8.150 nan 0.000 0.444 296 F N 0.543 120.494 119.950 0.002 0.000 2.065 296 F HA -0.205 4.323 4.527 0.001 0.000 0.298 296 F C 2.480 178.249 175.800 -0.051 0.000 1.112 296 F CA 2.096 60.059 58.000 -0.060 0.000 1.212 296 F CB -0.110 38.780 39.000 -0.184 0.000 0.975 296 F HN 0.250 nan 8.300 nan 0.000 0.476 297 A N -1.005 121.971 122.820 0.260 0.000 2.095 297 A HA 0.037 4.358 4.320 0.001 0.000 0.212 297 A C 1.900 179.541 177.584 0.095 0.000 1.162 297 A CA 0.795 52.952 52.037 0.199 0.000 0.753 297 A CB -0.471 18.644 19.000 0.192 0.000 0.840 297 A HN 0.494 nan 8.150 nan 0.000 0.468 298 E N 0.443 120.690 120.200 0.077 0.000 2.299 298 E HA 0.048 4.399 4.350 0.001 0.000 0.193 298 E C 0.146 176.760 176.600 0.023 0.000 0.998 298 E CA 0.083 56.514 56.400 0.053 0.000 0.851 298 E CB 0.101 29.837 29.700 0.060 0.000 0.795 298 E HN 0.396 nan 8.360 nan 0.000 0.492 299 S N 0.682 116.379 115.700 -0.004 0.000 2.562 299 S HA 0.154 4.625 4.470 0.001 0.000 0.281 299 S C 1.183 175.755 174.600 -0.047 0.000 1.333 299 S CA -0.007 58.172 58.200 -0.034 0.000 1.052 299 S CB 1.409 64.565 63.200 -0.074 0.000 0.884 299 S HN 0.313 nan 8.310 nan 0.000 0.506 300 A N 2.530 125.329 122.820 -0.036 0.000 1.927 300 A HA 0.154 4.475 4.320 0.001 0.000 0.220 300 A C 1.006 178.556 177.584 -0.056 0.000 1.185 300 A CA 1.688 53.706 52.037 -0.032 0.000 0.639 300 A CB -0.457 18.529 19.000 -0.024 0.000 0.820 300 A HN 1.198 nan 8.150 nan 0.000 0.451 301 A N -2.093 120.668 122.820 -0.098 0.000 2.456 301 A HA 0.589 4.910 4.320 0.001 0.000 0.288 301 A C -0.492 176.966 177.584 -0.209 0.000 1.042 301 A CA -0.142 51.821 52.037 -0.124 0.000 0.738 301 A CB 1.025 19.963 19.000 -0.104 0.000 1.266 301 A HN 0.139 nan 8.150 nan 0.000 0.407 302 T N 2.880 117.288 114.554 -0.242 0.000 2.824 302 T HA 0.622 4.973 4.350 0.001 0.000 0.282 302 T C -0.431 174.180 174.700 -0.150 0.000 0.993 302 T CA -0.154 61.727 62.100 -0.365 0.000 0.967 302 T CB 1.130 69.529 68.868 -0.782 0.000 0.960 302 T HN 0.730 nan 8.240 nan 0.000 0.441 303 M N 2.718 122.234 119.600 -0.139 0.000 2.243 303 M HA 0.569 5.050 4.480 0.001 0.000 0.324 303 M C -0.879 175.629 176.300 0.346 0.000 1.031 303 M CA -0.349 55.009 55.300 0.097 0.000 0.949 303 M CB 1.224 33.780 32.600 -0.073 0.000 1.615 303 M HN 0.450 nan 8.290 nan 0.000 0.430 304 S N 4.763 120.824 115.700 0.602 0.000 2.525 304 S HA 0.803 5.273 4.470 0.001 0.000 0.290 304 S C -1.022 173.992 174.600 0.691 0.000 1.152 304 S CA -0.623 58.053 58.200 0.794 0.000 1.072 304 S CB 1.176 65.040 63.200 1.107 0.000 1.027 304 S HN 0.641 nan 8.310 nan 0.000 0.500 305 L N 2.695 124.282 121.223 0.607 0.000 2.422 305 L HA 0.787 5.128 4.340 0.001 0.000 0.264 305 L C -1.152 176.000 176.870 0.470 0.000 0.984 305 L CA -0.368 54.731 54.840 0.432 0.000 0.819 305 L CB 1.679 43.901 42.059 0.272 0.000 1.330 305 L HN 0.922 nan 8.230 nan 0.000 0.410 306 W N 1.485 122.874 121.300 0.149 0.000 3.137 306 W HA 0.773 5.434 4.660 0.001 0.000 0.324 306 W C -1.218 175.359 176.519 0.097 0.000 1.253 306 W CA -0.683 56.714 57.345 0.087 0.000 1.183 306 W CB 0.806 30.301 29.460 0.057 0.000 1.424 306 W HN 0.646 nan 8.180 nan 0.000 0.566 307 C N 1.259 120.723 119.300 0.273 0.000 4.380 307 C HA 0.363 4.824 4.460 0.001 0.000 0.230 307 C C 1.693 176.822 174.990 0.232 0.000 4.272 307 C CA -0.167 58.964 59.018 0.189 0.000 1.705 307 C CB 0.331 28.184 27.740 0.189 0.000 4.970 307 C HN 0.848 nan 8.230 nan 0.000 0.486 308 M N 1.387 121.088 119.600 0.168 0.000 2.319 308 M HA 0.104 4.584 4.480 0.001 0.000 0.265 308 M C 1.907 178.276 176.300 0.115 0.000 1.068 308 M CA 1.662 57.039 55.300 0.128 0.000 1.118 308 M CB -2.025 30.619 32.600 0.072 0.000 1.395 308 M HN 0.853 nan 8.290 nan 0.000 0.435 309 G N 0.239 109.113 108.800 0.122 0.000 2.479 309 G HA2 -0.146 3.814 3.960 0.001 0.000 0.220 309 G HA3 -0.146 3.814 3.960 0.001 0.000 0.220 309 G C 1.540 176.490 174.900 0.085 0.000 1.115 309 G CA 0.431 45.591 45.100 0.101 0.000 0.757 309 G HN 0.325 nan 8.290 nan 0.000 0.560 310 I N 0.633 121.277 120.570 0.122 0.000 2.628 310 I HA 0.048 4.219 4.170 0.001 0.000 0.255 310 I C 1.900 178.061 176.117 0.073 0.000 1.119 310 I CA 0.592 61.934 61.300 0.071 0.000 1.448 310 I CB -0.588 37.444 38.000 0.054 0.000 1.133 310 I HN 0.047 nan 8.210 nan 0.000 0.438 311 N N 1.040 119.826 118.700 0.143 0.000 2.207 311 N HA -0.083 4.657 4.740 0.001 0.000 0.182 311 N C 0.842 176.392 175.510 0.068 0.000 1.020 311 N CA 0.668 53.792 53.050 0.123 0.000 0.858 311 N CB -0.232 38.361 38.487 0.176 0.000 0.991 311 N HN 0.399 nan 8.380 nan 0.000 0.427 312 Q N 1.222 121.064 119.800 0.070 0.000 3.184 312 Q HA 0.213 4.554 4.340 0.001 0.000 0.288 312 Q C -0.534 175.469 176.000 0.006 0.000 1.412 312 Q CA 0.166 56.004 55.803 0.058 0.000 0.991 312 Q CB 0.253 29.060 28.738 0.116 0.000 1.688 312 Q HN 0.010 nan 8.270 nan 0.000 0.554 313 R N 0.075 120.558 120.500 -0.028 0.000 2.604 313 R HA 0.101 4.442 4.340 0.001 0.000 0.270 313 R C 0.560 176.806 176.300 -0.089 0.000 1.052 313 R CA -0.325 55.746 56.100 -0.048 0.000 0.902 313 R CB 1.321 31.597 30.300 -0.041 0.000 1.233 313 R HN 0.257 nan 8.270 nan 0.000 0.455 314 V N -0.842 119.013 119.914 -0.098 0.000 3.141 314 V HA -0.023 4.097 4.120 0.001 0.000 0.265 314 V C 0.791 176.763 176.094 -0.204 0.000 1.126 314 V CA 1.275 63.492 62.300 -0.139 0.000 1.141 314 V CB -0.290 31.464 31.823 -0.114 0.000 0.743 314 V HN 0.593 nan 8.190 nan 0.000 0.492 315 Q N 0.398 120.096 119.800 -0.170 0.000 2.186 315 Q HA 0.335 4.676 4.340 0.001 0.000 0.241 315 Q C 1.799 177.708 176.000 -0.152 0.000 0.849 315 Q CA 0.389 56.066 55.803 -0.210 0.000 1.053 315 Q CB 1.032 29.727 28.738 -0.072 0.000 1.146 315 Q HN 0.703 nan 8.270 nan 0.000 0.475 316 G N 0.438 109.152 108.800 -0.143 0.000 2.421 316 G HA2 -0.206 3.755 3.960 0.001 0.000 0.216 316 G HA3 -0.206 3.755 3.960 0.001 0.000 0.216 316 G C 1.366 176.235 174.900 -0.052 0.000 1.171 316 G CA 0.577 45.633 45.100 -0.073 0.000 0.775 316 G HN 0.235 nan 8.290 nan 0.000 0.543 317 V N 0.684 120.549 119.914 -0.081 0.000 2.287 317 V HA -0.135 3.986 4.120 0.001 0.000 0.248 317 V C 2.601 178.768 176.094 0.122 0.000 1.053 317 V CA 1.484 63.785 62.300 0.002 0.000 1.027 317 V CB -0.599 31.204 31.823 -0.034 0.000 0.646 317 V HN 0.260 nan 8.190 nan 0.000 0.447 318 F N 0.790 120.656 119.950 -0.139 0.000 2.134 318 F HA -0.084 4.443 4.527 0.001 0.000 0.299 318 F C 2.486 178.185 175.800 -0.168 0.000 1.097 318 F CA 0.929 58.843 58.000 -0.143 0.000 1.264 318 F CB -1.607 37.334 39.000 -0.099 0.000 1.001 318 F HN 0.149 nan 8.300 nan 0.000 0.479 319 A N 0.316 123.149 122.820 0.021 0.000 1.902 319 A HA -0.201 4.119 4.320 0.001 0.000 0.217 319 A C 2.218 179.635 177.584 -0.277 0.000 1.181 319 A CA 1.712 53.670 52.037 -0.131 0.000 0.623 319 A CB -0.930 17.991 19.000 -0.131 0.000 0.818 319 A HN 0.396 nan 8.150 nan 0.000 0.443 320 N N 0.101 118.633 118.700 -0.280 0.000 2.104 320 N HA -0.181 4.560 4.740 0.001 0.000 0.190 320 N C 1.559 176.771 175.510 -0.496 0.000 1.024 320 N CA 1.706 54.450 53.050 -0.509 0.000 0.853 320 N CB -0.439 37.919 38.487 -0.214 0.000 1.008 320 N HN 0.666 nan 8.380 nan 0.000 0.424 321 N N 0.631 119.235 118.700 -0.161 0.000 2.094 321 N HA -0.140 4.601 4.740 0.001 0.000 0.191 321 N C 1.497 176.970 175.510 -0.062 0.000 1.023 321 N CA 0.761 53.803 53.050 -0.015 0.000 0.857 321 N CB -0.063 38.415 38.487 -0.016 0.000 1.013 321 N HN 0.057 nan 8.380 nan 0.000 0.426 322 L N 0.698 121.827 121.223 -0.156 0.000 2.201 322 L HA -0.028 4.313 4.340 0.001 0.000 0.212 322 L C 1.818 178.599 176.870 -0.148 0.000 1.105 322 L CA 1.133 55.876 54.840 -0.162 0.000 0.775 322 L CB -0.380 41.502 42.059 -0.294 0.000 0.913 322 L HN 0.247 nan 8.230 nan 0.000 0.440 323 I N -1.687 118.725 120.570 -0.263 0.000 2.163 323 I HA -0.280 3.890 4.170 0.001 0.000 0.240 323 I C 2.527 178.678 176.117 0.056 0.000 1.081 323 I CA 0.822 62.008 61.300 -0.191 0.000 1.353 323 I CB -0.555 37.074 38.000 -0.617 0.000 1.054 323 I HN 0.294 nan 8.210 nan 0.000 0.407 324 H N 1.149 120.264 119.070 0.075 0.000 2.353 324 H HA -0.157 4.399 4.556 0.001 0.000 0.298 324 H C 2.065 177.485 175.328 0.152 0.000 1.103 324 H CA 1.471 57.652 56.048 0.221 0.000 1.293 324 H CB -0.868 29.009 29.762 0.192 0.000 1.372 324 H HN 0.351 nan 8.280 nan 0.000 0.501 325 N N 0.754 119.540 118.700 0.143 0.000 2.094 325 N HA -0.132 4.609 4.740 0.001 0.000 0.191 325 N C 2.267 177.827 175.510 0.084 0.000 1.023 325 N CA 0.752 53.840 53.050 0.062 0.000 0.857 325 N CB -0.606 37.925 38.487 0.075 0.000 1.013 325 N HN 0.318 nan 8.380 nan 0.000 0.426 326 L N -0.071 121.152 121.223 -0.000 0.000 2.056 326 L HA -0.142 4.199 4.340 0.001 0.000 0.207 326 L C 2.206 179.052 176.870 -0.041 0.000 1.078 326 L CA 1.047 55.736 54.840 -0.253 0.000 0.749 326 L CB -0.476 41.076 42.059 -0.844 0.000 0.901 326 L HN 0.354 nan 8.230 nan 0.000 0.433 327 H N -0.152 119.081 119.070 0.271 0.000 2.389 327 H HA -0.070 4.487 4.556 0.001 0.000 0.299 327 H C 2.355 177.794 175.328 0.186 0.000 1.081 327 H CA 1.303 57.563 56.048 0.353 0.000 1.345 327 H CB 0.105 30.105 29.762 0.397 0.000 1.393 327 H HN 0.336 nan 8.280 nan 0.000 0.520 328 L N -0.097 121.300 121.223 0.291 0.000 2.109 328 L HA -0.117 4.223 4.340 0.001 0.000 0.207 328 L C 2.395 179.478 176.870 0.356 0.000 1.086 328 L CA 0.468 55.476 54.840 0.280 0.000 0.760 328 L CB -0.163 41.963 42.059 0.112 0.000 0.910 328 L HN 0.119 nan 8.230 nan 0.000 0.437 329 I N -0.181 120.558 120.570 0.283 0.000 2.928 329 I HA -0.177 3.994 4.170 0.001 0.000 0.266 329 I C 2.190 178.569 176.117 0.436 0.000 1.234 329 I CA 1.434 62.969 61.300 0.391 0.000 1.483 329 I CB -0.086 38.121 38.000 0.345 0.000 1.097 329 I HN 0.296 nan 8.210 nan 0.000 0.455 330 T N -3.605 111.115 114.554 0.276 0.000 3.001 330 T HA 0.329 4.679 4.350 0.001 0.000 0.251 330 T C 1.553 176.281 174.700 0.046 0.000 1.040 330 T CA 0.238 62.462 62.100 0.208 0.000 0.985 330 T CB 0.043 69.049 68.868 0.230 0.000 1.011 330 T HN 0.380 nan 8.240 nan 0.000 0.509 331 G N 2.241 110.911 108.800 -0.217 0.000 2.203 331 G HA2 -0.250 3.710 3.960 0.001 0.000 0.263 331 G HA3 -0.250 3.710 3.960 0.001 0.000 0.263 331 G C 0.179 174.829 174.900 -0.416 0.000 1.012 331 G CA 0.009 44.557 45.100 -0.920 0.000 0.749 331 G HN 0.565 nan 8.290 nan 0.000 0.512 332 Q N -0.387 119.343 119.800 -0.117 0.000 3.184 332 Q HA 0.559 4.900 4.340 0.001 0.000 0.288 332 Q C 0.435 176.510 176.000 0.124 0.000 1.412 332 Q CA 0.444 56.255 55.803 0.013 0.000 0.991 332 Q CB 0.132 28.871 28.738 0.002 0.000 1.688 332 Q HN 0.766 nan 8.270 nan 0.000 0.554 333 I N -1.973 118.558 120.570 -0.065 0.000 2.842 333 I HA 0.089 4.260 4.170 0.001 0.000 0.296 333 I C -0.494 175.506 176.117 -0.196 0.000 1.538 333 I CA -0.494 60.776 61.300 -0.050 0.000 0.994 333 I CB 1.848 39.882 38.000 0.057 0.000 1.372 333 I HN 0.434 nan 8.210 nan 0.000 0.478 334 C N 3.060 122.257 119.300 -0.172 0.000 4.397 334 C HA -0.166 4.295 4.460 0.001 0.000 0.291 334 C C 0.318 175.222 174.990 -0.143 0.000 1.408 334 C CA 0.716 59.559 59.018 -0.291 0.000 1.971 334 C CB -2.797 24.434 27.740 -0.848 0.000 1.258 334 C HN 0.693 nan 8.230 nan 0.000 0.795 335 R N -0.568 119.898 120.500 -0.057 0.000 2.740 335 R HA 0.524 4.865 4.340 0.001 0.000 0.273 335 R C -2.986 173.311 176.300 -0.006 0.000 0.998 335 R CA -1.744 54.366 56.100 0.018 0.000 0.900 335 R CB 1.012 31.334 30.300 0.037 0.000 1.223 335 R HN -0.090 nan 8.270 nan 0.000 0.466 336 P HA 0.043 nan 4.420 nan 0.000 0.267 336 P C 0.550 177.832 177.300 -0.030 0.000 1.209 336 P CA 0.931 64.022 63.100 -0.015 0.000 0.763 336 P CB 0.702 32.398 31.700 -0.006 0.000 0.816 337 G N 2.600 111.373 108.800 -0.045 0.000 2.268 337 G HA2 -0.170 3.791 3.960 0.001 0.000 0.240 337 G HA3 -0.170 3.791 3.960 0.001 0.000 0.240 337 G C 0.260 175.105 174.900 -0.093 0.000 1.010 337 G CA 0.001 45.053 45.100 -0.081 0.000 0.618 337 G HN 0.862 nan 8.290 nan 0.000 0.516 338 A N 0.151 122.942 122.820 -0.049 0.000 2.277 338 A HA 0.861 5.181 4.320 0.001 0.000 0.318 338 A C -0.024 177.576 177.584 0.027 0.000 1.339 338 A CA 0.809 52.837 52.037 -0.015 0.000 0.875 338 A CB 1.347 20.333 19.000 -0.023 0.000 1.158 338 A HN 1.292 nan 8.150 nan 0.000 0.514 339 T N 0.483 115.074 114.554 0.061 0.000 2.827 339 T HA 0.403 4.754 4.350 0.001 0.000 0.328 339 T C -1.145 173.471 174.700 -0.140 0.000 1.598 339 T CA -0.230 61.869 62.100 -0.002 0.000 1.043 339 T CB 1.524 70.421 68.868 0.049 0.000 1.447 339 T HN 0.690 nan 8.240 nan 0.000 0.491 340 S N 2.527 118.149 115.700 -0.130 0.000 2.488 340 S HA 0.589 5.060 4.470 0.001 0.000 0.310 340 S C -1.124 173.754 174.600 0.463 0.000 1.093 340 S CA -0.515 57.733 58.200 0.079 0.000 1.129 340 S CB -0.590 62.763 63.200 0.256 0.000 0.989 340 S HN 0.471 nan 8.310 nan 0.000 0.479 341 F N 4.796 124.881 119.950 0.226 0.000 2.325 341 F HA 0.413 4.941 4.527 0.001 0.000 0.369 341 F C 0.473 175.850 175.800 -0.704 0.000 1.095 341 F CA -0.440 57.510 58.000 -0.083 0.000 1.082 341 F CB 1.012 40.003 39.000 -0.015 0.000 1.289 341 F HN 0.457 nan 8.300 nan 0.000 0.462 342 S N 6.480 121.480 115.700 -1.167 0.000 2.498 342 S HA 0.333 4.803 4.470 0.001 0.000 0.281 342 S C -0.167 173.995 174.600 -0.730 0.000 1.265 342 S CA -0.550 56.781 58.200 -1.447 0.000 1.071 342 S CB -0.014 62.810 63.200 -0.627 0.000 0.894 342 S HN 0.611 nan 8.310 nan 0.000 0.491 343 L N 5.252 126.186 121.223 -0.482 0.000 2.331 343 L HA 0.282 4.623 4.340 0.001 0.000 0.278 343 L C 0.646 177.480 176.870 -0.060 0.000 1.106 343 L CA -0.235 54.505 54.840 -0.167 0.000 0.824 343 L CB 1.065 42.951 42.059 -0.288 0.000 1.142 343 L HN 0.570 nan 8.230 nan 0.000 0.443 344 T N 2.280 116.886 114.554 0.086 0.000 2.799 344 T HA 0.231 4.582 4.350 0.001 0.000 0.286 344 T C 1.072 175.982 174.700 0.350 0.000 0.973 344 T CA -0.193 62.016 62.100 0.182 0.000 1.035 344 T CB 1.752 70.718 68.868 0.164 0.000 0.932 344 T HN 0.821 nan 8.240 nan 0.000 0.469 345 G N 2.003 110.983 108.800 0.300 0.000 2.396 345 G HA2 -0.013 3.948 3.960 0.001 0.000 0.214 345 G HA3 -0.013 3.948 3.960 0.001 0.000 0.214 345 G C 0.549 175.641 174.900 0.321 0.000 1.166 345 G CA 0.367 45.651 45.100 0.306 0.000 0.793 345 G HN 0.576 nan 8.290 nan 0.000 0.533 346 Q N 0.057 120.036 119.800 0.298 0.000 2.260 346 Q HA 0.208 4.549 4.340 0.001 0.000 0.238 346 Q C -1.434 174.667 176.000 0.169 0.000 0.948 346 Q CA -2.012 53.986 55.803 0.325 0.000 0.895 346 Q CB 2.129 31.026 28.738 0.265 0.000 1.218 346 Q HN 0.052 nan 8.270 nan 0.000 0.470 347 P HA -0.121 nan 4.420 nan 0.000 0.221 347 P C 0.234 177.334 177.300 -0.333 0.000 1.150 347 P CA 1.475 64.437 63.100 -0.231 0.000 0.800 347 P CB 0.431 31.772 31.700 -0.598 0.000 0.787 348 N N -1.617 116.902 118.700 -0.301 0.000 2.387 348 N HA 0.271 5.012 4.740 0.001 0.000 0.259 348 N C 1.062 176.591 175.510 0.032 0.000 1.369 348 N CA 0.021 52.984 53.050 -0.145 0.000 0.867 348 N CB -0.203 38.143 38.487 -0.235 0.000 1.341 348 N HN -0.184 nan 8.380 nan 0.000 0.495 349 A N -0.578 122.290 122.820 0.081 0.000 1.972 349 A HA -0.091 4.230 4.320 0.001 0.000 0.219 349 A C 2.194 179.875 177.584 0.161 0.000 1.169 349 A CA 1.262 53.375 52.037 0.127 0.000 0.635 349 A CB -0.694 18.393 19.000 0.145 0.000 0.810 349 A HN 0.495 nan 8.150 nan 0.000 0.446 350 C N -1.423 117.991 119.300 0.189 0.000 2.610 350 C HA 0.143 4.604 4.460 0.001 0.000 0.285 350 C C 3.086 178.262 174.990 0.310 0.000 1.267 350 C CA 0.609 59.787 59.018 0.267 0.000 1.716 350 C CB -1.505 26.408 27.740 0.289 0.000 2.117 350 C HN 0.646 nan 8.230 nan 0.000 0.481 351 G N 0.135 109.110 108.800 0.293 0.000 2.446 351 G HA2 -0.012 3.949 3.960 0.001 0.000 0.217 351 G HA3 -0.012 3.949 3.960 0.001 0.000 0.217 351 G C 1.736 176.704 174.900 0.113 0.000 1.168 351 G CA 1.346 46.542 45.100 0.161 0.000 0.771 351 G HN 0.618 nan 8.290 nan 0.000 0.551 352 G N -0.629 108.236 108.800 0.108 0.000 2.426 352 G HA2 0.116 4.077 3.960 0.001 0.000 0.214 352 G HA3 0.116 4.077 3.960 0.001 0.000 0.214 352 G C 1.530 176.463 174.900 0.054 0.000 1.156 352 G CA 1.202 46.351 45.100 0.082 0.000 0.802 352 G HN 0.339 nan 8.290 nan 0.000 0.534 353 V N -0.328 119.639 119.914 0.088 0.000 2.806 353 V HA 0.163 4.283 4.120 0.001 0.000 0.239 353 V C 2.618 178.759 176.094 0.078 0.000 1.113 353 V CA 0.734 63.081 62.300 0.079 0.000 1.137 353 V CB -0.045 31.842 31.823 0.106 0.000 0.865 353 V HN 0.139 nan 8.190 nan 0.000 0.482 354 R N 0.538 121.116 120.500 0.130 0.000 2.051 354 R HA -0.045 4.295 4.340 0.001 0.000 0.225 354 R C 2.083 178.458 176.300 0.125 0.000 1.155 354 R CA 1.663 57.856 56.100 0.155 0.000 0.945 354 R CB -0.414 30.025 30.300 0.232 0.000 0.840 354 R HN 0.407 nan 8.270 nan 0.000 0.432 355 D N -0.008 120.503 120.400 0.184 0.000 2.123 355 D HA -0.109 4.532 4.640 0.001 0.000 0.196 355 D C 1.820 178.130 176.300 0.017 0.000 0.992 355 D CA 1.589 55.633 54.000 0.073 0.000 0.833 355 D CB -0.559 40.417 40.800 0.293 0.000 0.954 355 D HN 0.422 nan 8.370 nan 0.000 0.455 356 G N -0.358 108.455 108.800 0.022 0.000 2.598 356 G HA2 0.117 4.077 3.960 0.001 0.000 0.215 356 G HA3 0.117 4.077 3.960 0.001 0.000 0.215 356 G C 1.184 175.930 174.900 -0.258 0.000 1.131 356 G CA 0.606 45.535 45.100 -0.285 0.000 0.785 356 G HN 0.496 nan 8.290 nan 0.000 0.539 357 G N -0.667 108.054 108.800 -0.131 0.000 2.273 357 G HA2 0.065 4.026 3.960 0.001 0.000 0.280 357 G HA3 0.065 4.026 3.960 0.001 0.000 0.280 357 G C 0.578 175.422 174.900 -0.094 0.000 1.047 357 G CA 0.327 45.356 45.100 -0.119 0.000 0.869 357 G HN 1.344 nan 8.290 nan 0.000 0.502 358 A N -0.352 122.435 122.820 -0.055 0.000 3.163 358 A HA 0.711 5.032 4.320 0.001 0.000 0.283 358 A C 0.308 177.932 177.584 0.067 0.000 1.412 358 A CA 0.041 52.071 52.037 -0.012 0.000 1.053 358 A CB 0.148 19.136 19.000 -0.019 0.000 1.082 358 A HN 0.486 nan 8.150 nan 0.000 0.639 359 L N -0.682 120.567 121.223 0.044 0.000 2.301 359 L HA 0.423 4.763 4.340 0.001 0.000 0.264 359 L C 1.774 178.719 176.870 0.126 0.000 1.016 359 L CA 0.360 55.269 54.840 0.114 0.000 0.821 359 L CB 1.578 43.708 42.059 0.118 0.000 1.346 359 L HN 0.376 nan 8.230 nan 0.000 0.429 360 S N -0.471 115.388 115.700 0.265 0.000 2.469 360 S HA -0.143 4.328 4.470 0.001 0.000 0.238 360 S C 1.047 175.794 174.600 0.244 0.000 0.998 360 S CA 1.417 59.770 58.200 0.254 0.000 0.957 360 S CB -0.537 62.830 63.200 0.278 0.000 0.764 360 S HN 0.779 nan 8.310 nan 0.000 0.514 361 H N -0.367 118.772 119.070 0.114 0.000 2.893 361 H HA 0.534 5.091 4.556 0.001 0.000 0.270 361 H C 0.190 175.575 175.328 0.095 0.000 1.095 361 H CA -0.633 55.474 56.048 0.099 0.000 1.186 361 H CB -0.336 29.485 29.762 0.099 0.000 1.562 361 H HN 0.348 nan 8.280 nan 0.000 0.536 362 L N 1.169 122.255 121.223 -0.228 0.000 2.319 362 L HA 0.545 4.885 4.340 0.001 0.000 0.267 362 L C -0.510 176.309 176.870 -0.086 0.000 1.011 362 L CA -1.094 53.624 54.840 -0.203 0.000 0.818 362 L CB 2.581 44.462 42.059 -0.296 0.000 1.316 362 L HN -0.028 nan 8.230 nan 0.000 0.432 363 L N 0.965 122.133 121.223 -0.092 0.000 2.333 363 L HA 0.563 4.904 4.340 0.001 0.000 0.263 363 L C -2.412 174.351 176.870 -0.180 0.000 1.014 363 L CA -2.005 52.755 54.840 -0.133 0.000 0.820 363 L CB 2.464 44.432 42.059 -0.153 0.000 1.352 363 L HN 0.264 nan 8.230 nan 0.000 0.421 364 P HA 0.045 nan 4.420 nan 0.000 0.266 364 P C -0.341 176.900 177.300 -0.098 0.000 1.195 364 P CA 0.242 63.228 63.100 -0.190 0.000 0.768 364 P CB 0.599 32.171 31.700 -0.214 0.000 0.838 365 A N 3.024 125.795 122.820 -0.082 0.000 2.734 365 A HA 0.087 4.407 4.320 0.001 0.000 0.296 365 A C 1.242 178.622 177.584 -0.341 0.000 1.474 365 A CA 0.891 52.695 52.037 -0.387 0.000 0.735 365 A CB -2.411 16.550 19.000 -0.066 0.000 1.062 365 A HN 1.167 nan 8.150 nan 0.000 0.463 366 G N -1.746 106.866 108.800 -0.313 0.000 2.143 366 G HA2 -0.244 3.717 3.960 0.001 0.000 0.248 366 G HA3 -0.244 3.717 3.960 0.001 0.000 0.248 366 G C 0.127 175.012 174.900 -0.026 0.000 0.991 366 G CA 0.902 46.065 45.100 0.105 0.000 0.689 366 G HN 1.285 nan 8.290 nan 0.000 0.522 367 R N -0.088 120.305 120.500 -0.178 0.000 2.573 367 R HA 0.764 5.105 4.340 0.001 0.000 0.272 367 R C 0.159 176.491 176.300 0.054 0.000 1.009 367 R CA 0.083 56.005 56.100 -0.297 0.000 1.059 367 R CB 1.462 31.476 30.300 -0.477 0.000 1.112 367 R HN 0.562 nan 8.270 nan 0.000 0.517 368 A N 2.242 125.277 122.820 0.358 0.000 2.355 368 A HA 0.316 4.637 4.320 0.001 0.000 0.317 368 A C 1.010 178.690 177.584 0.160 0.000 1.094 368 A CA -0.718 51.449 52.037 0.216 0.000 0.764 368 A CB 0.721 19.856 19.000 0.225 0.000 1.230 368 A HN 0.644 nan 8.150 nan 0.000 0.448 369 I N 1.959 122.591 120.570 0.103 0.000 2.113 369 I HA -0.157 4.014 4.170 0.001 0.000 0.242 369 I C -0.616 175.548 176.117 0.079 0.000 1.064 369 I CA 1.931 63.285 61.300 0.089 0.000 1.320 369 I CB -1.976 36.081 38.000 0.095 0.000 1.028 369 I HN 0.442 nan 8.210 nan 0.000 0.406 370 P HA -0.077 nan 4.420 nan 0.000 0.234 370 P C 0.482 177.793 177.300 0.018 0.000 1.167 370 P CA 0.697 63.829 63.100 0.053 0.000 0.763 370 P CB -0.245 31.492 31.700 0.062 0.000 0.835 371 N N 0.529 119.228 118.700 -0.002 0.000 2.415 371 N HA 0.146 4.887 4.740 0.001 0.000 0.246 371 N C 1.157 176.632 175.510 -0.058 0.000 1.078 371 N CA 0.033 53.020 53.050 -0.105 0.000 0.942 371 N CB 0.909 39.182 38.487 -0.357 0.000 1.140 371 N HN -0.144 nan 8.380 nan 0.000 0.501 372 A N 4.692 127.487 122.820 -0.042 0.000 1.940 372 A HA -0.182 4.138 4.320 0.001 0.000 0.219 372 A C 1.921 179.500 177.584 -0.008 0.000 1.176 372 A CA 1.467 53.497 52.037 -0.012 0.000 0.631 372 A CB -0.074 18.922 19.000 -0.007 0.000 0.814 372 A HN 0.636 nan 8.150 nan 0.000 0.446 373 K N -0.723 119.653 120.400 -0.040 0.000 2.103 373 K HA -0.053 4.268 4.320 0.001 0.000 0.204 373 K C 1.845 178.497 176.600 0.087 0.000 1.052 373 K CA 1.400 57.686 56.287 -0.002 0.000 0.945 373 K CB -0.406 32.078 32.500 -0.026 0.000 0.722 373 K HN 0.592 nan 8.250 nan 0.000 0.443 374 H N 0.270 119.329 119.070 -0.019 0.000 2.389 374 H HA 0.079 4.636 4.556 0.001 0.000 0.299 374 H C 1.882 177.168 175.328 -0.070 0.000 1.081 374 H CA 1.100 57.122 56.048 -0.043 0.000 1.345 374 H CB 0.050 29.794 29.762 -0.030 0.000 1.393 374 H HN 0.105 nan 8.280 nan 0.000 0.520 375 R N 0.155 120.705 120.500 0.084 0.000 2.073 375 R HA -0.068 4.273 4.340 0.001 0.000 0.234 375 R C 2.440 178.741 176.300 0.002 0.000 1.134 375 R CA 1.203 57.318 56.100 0.026 0.000 0.952 375 R CB -0.269 30.053 30.300 0.036 0.000 0.850 375 R HN 0.274 nan 8.270 nan 0.000 0.433 376 A N 1.219 124.047 122.820 0.013 0.000 1.933 376 A HA -0.191 4.130 4.320 0.001 0.000 0.218 376 A C 1.884 179.458 177.584 -0.018 0.000 1.175 376 A CA 1.375 53.414 52.037 0.004 0.000 0.628 376 A CB -0.327 18.679 19.000 0.010 0.000 0.814 376 A HN 0.345 nan 8.150 nan 0.000 0.444 377 E N -0.864 119.321 120.200 -0.023 0.000 2.077 377 E HA -0.184 4.167 4.350 0.001 0.000 0.193 377 E C 1.968 178.481 176.600 -0.144 0.000 0.989 377 E CA 1.399 57.759 56.400 -0.066 0.000 0.800 377 E CB -0.204 29.461 29.700 -0.058 0.000 0.746 377 E HN 0.481 nan 8.360 nan 0.000 0.452 378 M N 0.274 119.752 119.600 -0.203 0.000 2.236 378 M HA -0.055 4.426 4.480 0.001 0.000 0.266 378 M C 1.839 178.019 176.300 -0.201 0.000 1.070 378 M CA 1.263 56.321 55.300 -0.405 0.000 1.137 378 M CB -0.594 31.655 32.600 -0.585 0.000 1.378 378 M HN 0.063 nan 8.290 nan 0.000 0.426 379 E N 0.290 120.464 120.200 -0.044 0.000 2.077 379 E HA -0.210 4.140 4.350 0.001 0.000 0.193 379 E C 2.086 178.716 176.600 0.050 0.000 0.989 379 E CA 1.197 57.630 56.400 0.055 0.000 0.800 379 E CB -0.072 29.656 29.700 0.046 0.000 0.746 379 E HN 0.421 nan 8.360 nan 0.000 0.452 380 K N 0.853 121.256 120.400 0.004 0.000 2.025 380 K HA -0.120 4.201 4.320 0.001 0.000 0.207 380 K C 2.136 178.748 176.600 0.019 0.000 1.049 380 K CA 0.857 57.149 56.287 0.008 0.000 0.933 380 K CB -0.022 32.470 32.500 -0.014 0.000 0.714 380 K HN 0.051 nan 8.250 nan 0.000 0.438 381 L N -0.490 120.717 121.223 -0.027 0.000 2.046 381 L HA -0.182 4.159 4.340 0.001 0.000 0.208 381 L C 2.040 179.012 176.870 0.170 0.000 1.077 381 L CA 0.937 55.776 54.840 -0.002 0.000 0.747 381 L CB -0.346 41.633 42.059 -0.132 0.000 0.896 381 L HN 0.374 nan 8.230 nan 0.000 0.432 382 W N -0.026 121.288 121.300 0.024 0.000 3.256 382 W HA 0.272 4.933 4.660 0.002 0.000 0.269 382 W C 1.445 177.963 176.519 -0.002 0.000 1.310 382 W CA 0.566 57.923 57.345 0.021 0.000 1.673 382 W CB -0.934 28.524 29.460 -0.003 0.000 1.115 382 W HN 0.304 nan 8.180 nan 0.000 0.686 383 G N 1.291 110.206 108.800 0.191 0.000 2.225 383 G HA2 -0.286 3.675 3.960 0.001 0.000 0.264 383 G HA3 -0.286 3.675 3.960 0.001 0.000 0.264 383 G C -0.074 174.875 174.900 0.082 0.000 1.060 383 G CA -0.144 45.016 45.100 0.099 0.000 0.833 383 G HN 0.145 nan 8.290 nan 0.000 0.498 384 L N -0.146 121.142 121.223 0.108 0.000 2.379 384 L HA 0.524 4.864 4.340 0.001 0.000 0.269 384 L C -1.423 175.479 176.870 0.055 0.000 1.084 384 L CA -2.320 52.571 54.840 0.086 0.000 0.802 384 L CB 0.697 42.834 42.059 0.130 0.000 1.175 384 L HN -0.054 nan 8.230 nan 0.000 0.448 385 P HA 0.056 nan 4.420 nan 0.000 0.272 385 P C -0.672 176.650 177.300 0.036 0.000 1.230 385 P CA -0.499 62.620 63.100 0.031 0.000 0.788 385 P CB 0.464 32.178 31.700 0.024 0.000 0.949 386 E N 0.681 120.898 120.200 0.028 0.000 2.414 386 E HA 0.198 4.549 4.350 0.001 0.000 0.263 386 E C 0.992 177.611 176.600 0.031 0.000 1.000 386 E CA 0.753 57.169 56.400 0.028 0.000 0.914 386 E CB -0.389 29.323 29.700 0.021 0.000 0.948 386 E HN 0.754 nan 8.360 nan 0.000 0.444 387 G N 3.994 112.815 108.800 0.034 0.000 2.168 387 G HA2 -0.375 3.586 3.960 0.001 0.000 0.263 387 G HA3 -0.375 3.586 3.960 0.001 0.000 0.263 387 G C 0.977 175.905 174.900 0.047 0.000 0.977 387 G CA 0.778 45.900 45.100 0.037 0.000 0.659 387 G HN 0.664 nan 8.290 nan 0.000 0.533 388 R N 0.522 121.055 120.500 0.054 0.000 2.096 388 R HA 0.123 4.464 4.340 0.001 0.000 0.235 388 R C 1.442 177.791 176.300 0.081 0.000 1.127 388 R CA 1.330 57.469 56.100 0.065 0.000 0.968 388 R CB -0.314 30.026 30.300 0.067 0.000 0.861 388 R HN 0.535 nan 8.270 nan 0.000 0.440 389 I N 2.080 122.703 120.570 0.088 0.000 2.452 389 I HA 0.141 4.311 4.170 0.001 0.000 0.287 389 I C 0.206 176.370 176.117 0.079 0.000 1.079 389 I CA -0.429 60.930 61.300 0.099 0.000 1.387 389 I CB 1.085 39.145 38.000 0.100 0.000 1.404 389 I HN 0.245 nan 8.210 nan 0.000 0.522 390 A N 8.863 131.734 122.820 0.085 0.000 2.477 390 A HA 0.258 4.578 4.320 0.001 0.000 0.246 390 A C -1.575 176.046 177.584 0.061 0.000 1.078 390 A CA -1.019 51.059 52.037 0.068 0.000 0.770 390 A CB -0.147 18.895 19.000 0.071 0.000 1.011 390 A HN 0.565 nan 8.150 nan 0.000 0.494 391 P HA -0.054 nan 4.420 nan 0.000 0.225 391 P C -0.229 177.098 177.300 0.045 0.000 1.148 391 P CA 1.137 64.264 63.100 0.044 0.000 0.779 391 P CB 0.183 31.904 31.700 0.035 0.000 0.780 392 E N -0.004 120.221 120.200 0.040 0.000 2.175 392 E HA 0.289 4.640 4.350 0.001 0.000 0.278 392 E C -2.404 174.220 176.600 0.039 0.000 0.969 392 E CA -2.622 53.796 56.400 0.031 0.000 0.796 392 E CB -0.128 29.575 29.700 0.005 0.000 1.104 392 E HN 0.060 nan 8.360 nan 0.000 0.395 393 P HA 0.026 nan 4.420 nan 0.000 0.266 393 P C 0.215 177.525 177.300 0.018 0.000 1.195 393 P CA 0.129 63.281 63.100 0.086 0.000 0.768 393 P CB 0.695 32.477 31.700 0.137 0.000 0.838 394 G N 1.643 110.464 108.800 0.036 0.000 2.570 394 G HA2 0.173 4.134 3.960 0.001 0.000 0.276 394 G HA3 0.173 4.134 3.960 0.001 0.000 0.276 394 G C -0.906 173.959 174.900 -0.057 0.000 1.346 394 G CA -0.523 44.540 45.100 -0.061 0.000 1.034 394 G HN 0.383 nan 8.290 nan 0.000 0.512 395 Y N 0.448 120.784 120.300 0.060 0.000 2.465 395 Y HA 0.229 4.779 4.550 0.001 0.000 0.331 395 Y C 1.271 177.183 175.900 0.020 0.000 1.102 395 Y CA -0.322 57.758 58.100 -0.034 0.000 1.358 395 Y CB 0.215 38.617 38.460 -0.097 0.000 1.213 395 Y HN 0.683 nan 8.280 nan 0.000 0.525 396 H N -0.715 118.499 119.070 0.240 0.000 2.679 396 H HA 0.139 4.696 4.556 0.001 0.000 0.369 396 H C 1.080 176.529 175.328 0.201 0.000 1.178 396 H CA -0.148 56.020 56.048 0.200 0.000 1.419 396 H CB 0.345 30.182 29.762 0.126 0.000 1.458 396 H HN 0.696 nan 8.280 nan 0.000 0.605 397 T N 1.498 116.255 114.554 0.339 0.000 2.592 397 T HA -0.252 4.098 4.350 0.001 0.000 0.267 397 T C 2.138 176.955 174.700 0.195 0.000 1.060 397 T CA 2.094 64.369 62.100 0.290 0.000 1.167 397 T CB -0.339 68.744 68.868 0.360 0.000 0.863 397 T HN 0.481 nan 8.240 nan 0.000 0.431 398 V N 1.581 121.607 119.914 0.187 0.000 2.287 398 V HA -0.212 3.909 4.120 0.001 0.000 0.248 398 V C 2.859 178.939 176.094 -0.025 0.000 1.053 398 V CA 1.865 64.215 62.300 0.083 0.000 1.027 398 V CB -1.248 30.634 31.823 0.098 0.000 0.646 398 V HN 0.588 nan 8.190 nan 0.000 0.447 399 A N -0.353 122.322 122.820 -0.242 0.000 1.972 399 A HA -0.193 4.128 4.320 0.001 0.000 0.219 399 A C 2.147 179.524 177.584 -0.345 0.000 1.169 399 A CA 2.002 53.842 52.037 -0.328 0.000 0.635 399 A CB -0.560 18.105 19.000 -0.558 0.000 0.810 399 A HN 0.464 nan 8.150 nan 0.000 0.446 400 L N -1.343 119.728 121.223 -0.253 0.000 2.012 400 L HA -0.091 4.250 4.340 0.001 0.000 0.210 400 L C 2.123 178.701 176.870 -0.486 0.000 1.073 400 L CA 2.051 56.677 54.840 -0.356 0.000 0.748 400 L CB -0.841 41.116 42.059 -0.170 0.000 0.891 400 L HN 0.364 nan 8.230 nan 0.000 0.431 401 F N -0.046 119.731 119.950 -0.289 0.000 2.325 401 F HA -0.075 4.452 4.527 0.001 0.000 0.299 401 F C 2.352 178.012 175.800 -0.235 0.000 1.090 401 F CA 1.123 58.965 58.000 -0.262 0.000 1.392 401 F CB -0.288 38.554 39.000 -0.264 0.000 1.053 401 F HN 0.188 nan 8.300 nan 0.000 0.521 402 E N 0.321 120.459 120.200 -0.104 0.000 2.051 402 E HA -0.213 4.138 4.350 0.001 0.000 0.192 402 E C 2.451 178.906 176.600 -0.241 0.000 0.991 402 E CA 1.115 57.429 56.400 -0.143 0.000 0.799 402 E CB -0.368 29.258 29.700 -0.123 0.000 0.748 402 E HN 0.361 nan 8.360 nan 0.000 0.449 403 A N 1.191 123.746 122.820 -0.443 0.000 1.940 403 A HA -0.192 4.129 4.320 0.001 0.000 0.219 403 A C 2.194 179.535 177.584 -0.405 0.000 1.176 403 A CA 1.201 52.892 52.037 -0.575 0.000 0.631 403 A CB -0.581 17.639 19.000 -1.301 0.000 0.814 403 A HN 0.237 nan 8.150 nan 0.000 0.446 404 L N -0.043 120.945 121.223 -0.392 0.000 2.046 404 L HA -0.013 4.327 4.340 0.001 0.000 0.208 404 L C 2.406 179.153 176.870 -0.205 0.000 1.077 404 L CA 2.195 56.843 54.840 -0.320 0.000 0.747 404 L CB -0.856 40.983 42.059 -0.365 0.000 0.896 404 L HN 0.303 nan 8.230 nan 0.000 0.432 405 G N -0.954 107.776 108.800 -0.117 0.000 2.422 405 G HA2 -0.242 3.719 3.960 0.001 0.000 0.218 405 G HA3 -0.242 3.719 3.960 0.001 0.000 0.218 405 G C 1.748 176.687 174.900 0.065 0.000 1.146 405 G CA 0.653 45.758 45.100 0.009 0.000 0.769 405 G HN 0.381 nan 8.290 nan 0.000 0.547 406 R N -0.403 120.065 120.500 -0.053 0.000 2.193 406 R HA 0.174 4.515 4.340 0.001 0.000 0.213 406 R C 1.923 178.176 176.300 -0.078 0.000 1.055 406 R CA 0.615 56.694 56.100 -0.035 0.000 0.995 406 R CB 0.068 30.322 30.300 -0.076 0.000 0.893 406 R HN 0.438 nan 8.270 nan 0.000 0.459 407 G N 0.827 109.455 108.800 -0.287 0.000 2.176 407 G HA2 -0.227 3.734 3.960 0.001 0.000 0.232 407 G HA3 -0.227 3.734 3.960 0.001 0.000 0.232 407 G C 0.353 175.052 174.900 -0.335 0.000 0.986 407 G CA 0.346 45.144 45.100 -0.503 0.000 0.643 407 G HN 0.262 nan 8.290 nan 0.000 0.522 408 D N -0.063 120.193 120.400 -0.242 0.000 2.097 408 D HA 0.030 4.671 4.640 0.001 0.000 0.197 408 D C 1.482 177.690 176.300 -0.152 0.000 0.984 408 D CA 1.201 55.102 54.000 -0.165 0.000 0.826 408 D CB 0.021 40.767 40.800 -0.090 0.000 0.973 408 D HN 0.358 nan 8.370 nan 0.000 0.460 409 V N 1.555 121.340 119.914 -0.215 0.000 2.406 409 V HA 0.099 4.220 4.120 0.001 0.000 0.272 409 V C 1.129 177.086 176.094 -0.230 0.000 1.043 409 V CA -0.033 62.166 62.300 -0.170 0.000 0.915 409 V CB 1.791 33.496 31.823 -0.197 0.000 0.988 409 V HN -0.017 nan 8.190 nan 0.000 0.466 410 K N 2.544 122.829 120.400 -0.192 0.000 2.313 410 K HA 0.249 4.570 4.320 0.001 0.000 0.197 410 K C 0.060 176.567 176.600 -0.155 0.000 1.061 410 K CA 0.390 56.554 56.287 -0.204 0.000 0.980 410 K CB 0.627 33.008 32.500 -0.198 0.000 0.888 410 K HN 0.579 nan 8.250 nan 0.000 0.502 411 C N 1.574 120.744 119.300 -0.216 0.000 2.396 411 C HA 0.572 5.032 4.460 0.001 0.000 0.321 411 C C -0.603 174.288 174.990 -0.165 0.000 1.233 411 C CA -0.957 57.847 59.018 -0.356 0.000 1.440 411 C CB 0.651 27.727 27.740 -1.107 0.000 2.110 411 C HN 0.386 nan 8.230 nan 0.000 0.473 412 M N 4.309 123.935 119.600 0.042 0.000 2.327 412 M HA 0.661 5.142 4.480 0.001 0.000 0.298 412 M C -1.539 174.953 176.300 0.320 0.000 1.065 412 M CA -0.418 54.990 55.300 0.180 0.000 0.916 412 M CB 1.093 33.655 32.600 -0.063 0.000 1.630 412 M HN 0.640 nan 8.290 nan 0.000 0.442 413 I N 5.745 126.530 120.570 0.357 0.000 2.331 413 I HA 0.348 4.519 4.170 0.001 0.000 0.292 413 I C -0.682 175.321 176.117 -0.190 0.000 0.998 413 I CA -0.490 60.862 61.300 0.088 0.000 1.267 413 I CB 1.049 39.131 38.000 0.136 0.000 1.386 413 I HN 0.636 nan 8.210 nan 0.000 0.476 414 I N 6.087 126.567 120.570 -0.149 0.000 2.354 414 I HA 0.328 4.499 4.170 0.001 0.000 0.292 414 I C -0.500 175.475 176.117 -0.237 0.000 0.989 414 I CA -0.387 60.825 61.300 -0.147 0.000 1.188 414 I CB 1.724 39.767 38.000 0.070 0.000 1.342 414 I HN 0.567 nan 8.210 nan 0.000 0.457 415 C N 6.204 125.284 119.300 -0.367 0.000 2.522 415 C HA 0.334 4.795 4.460 0.001 0.000 0.344 415 C C 0.396 175.338 174.990 -0.080 0.000 1.104 415 C CA -0.223 58.654 59.018 -0.235 0.000 1.317 415 C CB -0.287 27.243 27.740 -0.350 0.000 1.896 415 C HN 1.024 nan 8.230 nan 0.000 0.443 416 E N 3.050 123.281 120.200 0.050 0.000 2.416 416 E HA -0.182 4.169 4.350 0.001 0.000 0.249 416 E C -0.252 176.424 176.600 0.126 0.000 1.124 416 E CA 1.185 57.669 56.400 0.139 0.000 0.732 416 E CB -0.926 28.885 29.700 0.185 0.000 1.286 416 E HN 0.903 nan 8.360 nan 0.000 0.394 417 T N -0.507 114.106 114.554 0.097 0.000 2.802 417 T HA 0.475 4.825 4.350 0.001 0.000 0.311 417 T C -1.787 172.993 174.700 0.134 0.000 1.405 417 T CA -0.421 61.739 62.100 0.100 0.000 1.016 417 T CB 1.467 70.334 68.868 -0.001 0.000 1.352 417 T HN 0.102 nan 8.240 nan 0.000 0.498 418 N N 2.302 121.079 118.700 0.128 0.000 2.733 418 N HA 0.376 5.116 4.740 0.001 0.000 0.271 418 N C -1.927 173.644 175.510 0.101 0.000 1.720 418 N CA -1.983 51.141 53.050 0.124 0.000 0.803 418 N CB 1.322 39.870 38.487 0.102 0.000 1.208 418 N HN 0.306 nan 8.380 nan 0.000 0.498 419 P HA -0.082 nan 4.420 nan 0.000 0.220 419 P C 0.998 178.213 177.300 -0.141 0.000 1.148 419 P CA 0.757 63.793 63.100 -0.106 0.000 0.803 419 P CB 0.229 31.728 31.700 -0.335 0.000 0.782 420 A N -1.185 121.622 122.820 -0.022 0.000 2.178 420 A HA -0.197 4.123 4.320 0.001 0.000 0.218 420 A C 2.068 179.799 177.584 0.246 0.000 1.157 420 A CA 1.598 53.690 52.037 0.092 0.000 0.689 420 A CB -1.591 17.471 19.000 0.104 0.000 0.787 420 A HN 0.332 nan 8.150 nan 0.000 0.465 421 H N -1.778 117.329 119.070 0.062 0.000 2.695 421 H HA 0.034 4.591 4.556 0.001 0.000 0.267 421 H C 1.978 177.299 175.328 -0.011 0.000 0.973 421 H CA 1.139 57.224 56.048 0.062 0.000 1.223 421 H CB 0.657 30.466 29.762 0.078 0.000 1.442 421 H HN 0.502 nan 8.280 nan 0.000 0.478 422 T N -1.260 113.361 114.554 0.111 0.000 3.010 422 T HA 0.265 4.616 4.350 0.001 0.000 0.257 422 T C 0.551 175.191 174.700 -0.100 0.000 1.020 422 T CA -0.362 61.702 62.100 -0.060 0.000 0.938 422 T CB 0.072 68.850 68.868 -0.149 0.000 1.049 422 T HN 0.016 nan 8.240 nan 0.000 0.522 423 L N 3.190 124.345 121.223 -0.113 0.000 2.452 423 L HA 0.379 4.720 4.340 0.001 0.000 0.267 423 L C -2.000 174.837 176.870 -0.055 0.000 1.188 423 L CA -2.265 52.495 54.840 -0.132 0.000 0.821 423 L CB 0.464 42.285 42.059 -0.396 0.000 1.102 423 L HN 0.058 nan 8.230 nan 0.000 0.470 424 P HA 0.034 nan 4.420 nan 0.000 0.276 424 P C -0.569 176.647 177.300 -0.141 0.000 1.252 424 P CA -0.320 62.714 63.100 -0.110 0.000 0.802 424 P CB 0.605 32.062 31.700 -0.405 0.000 1.035 425 N N 0.123 118.769 118.700 -0.091 0.000 2.696 425 N HA -0.147 4.594 4.740 0.001 0.000 0.256 425 N C 0.761 176.156 175.510 -0.192 0.000 1.031 425 N CA 0.213 53.190 53.050 -0.123 0.000 0.730 425 N CB -1.307 37.107 38.487 -0.122 0.000 0.894 425 N HN 0.405 nan 8.380 nan 0.000 0.544 426 L N -0.054 121.023 121.223 -0.243 0.000 2.079 426 L HA -0.203 4.138 4.340 0.001 0.000 0.210 426 L C 1.937 178.481 176.870 -0.543 0.000 1.081 426 L CA 1.229 55.781 54.840 -0.481 0.000 0.752 426 L CB -0.292 41.441 42.059 -0.545 0.000 0.896 426 L HN 0.368 nan 8.230 nan 0.000 0.433 427 N N 0.301 118.829 118.700 -0.285 0.000 2.104 427 N HA -0.239 4.502 4.740 0.001 0.000 0.190 427 N C 1.743 177.193 175.510 -0.100 0.000 1.024 427 N CA 1.333 54.298 53.050 -0.141 0.000 0.853 427 N CB -0.213 38.227 38.487 -0.078 0.000 1.008 427 N HN 0.357 nan 8.380 nan 0.000 0.424 428 K N 1.007 121.336 120.400 -0.118 0.000 2.026 428 K HA -0.054 4.266 4.320 0.001 0.000 0.208 428 K C 1.808 178.353 176.600 -0.091 0.000 1.048 428 K CA 0.988 57.223 56.287 -0.088 0.000 0.929 428 K CB 0.009 32.454 32.500 -0.091 0.000 0.713 428 K HN -0.104 nan 8.250 nan 0.000 0.439 429 V N 1.087 120.903 119.914 -0.164 0.000 2.358 429 V HA -0.212 3.909 4.120 0.001 0.000 0.246 429 V C 1.967 177.999 176.094 -0.103 0.000 1.047 429 V CA 1.956 64.154 62.300 -0.170 0.000 1.035 429 V CB -0.685 30.954 31.823 -0.307 0.000 0.658 429 V HN 0.453 nan 8.190 nan 0.000 0.452 430 H N -0.277 118.687 119.070 -0.176 0.000 2.422 430 H HA -0.186 4.370 4.556 0.001 0.000 0.298 430 H C 2.422 177.712 175.328 -0.064 0.000 1.098 430 H CA 1.460 57.387 56.048 -0.201 0.000 1.315 430 H CB 0.141 29.880 29.762 -0.038 0.000 1.382 430 H HN 0.353 nan 8.280 nan 0.000 0.523 431 K N 0.500 120.955 120.400 0.093 0.000 2.025 431 K HA -0.066 4.255 4.320 0.001 0.000 0.207 431 K C 2.499 179.135 176.600 0.059 0.000 1.049 431 K CA 0.874 57.203 56.287 0.070 0.000 0.933 431 K CB -0.025 32.494 32.500 0.032 0.000 0.714 431 K HN 0.188 nan 8.250 nan 0.000 0.438 432 A N 0.948 123.791 122.820 0.038 0.000 1.908 432 A HA -0.199 4.122 4.320 0.001 0.000 0.218 432 A C 2.033 179.658 177.584 0.068 0.000 1.181 432 A CA 1.719 53.786 52.037 0.050 0.000 0.627 432 A CB -0.502 18.521 19.000 0.039 0.000 0.818 432 A HN 0.248 nan 8.150 nan 0.000 0.445 433 M N -0.299 119.321 119.600 0.032 0.000 2.562 433 M HA -0.005 4.475 4.480 0.001 0.000 0.257 433 M C 1.164 177.558 176.300 0.157 0.000 1.099 433 M CA 0.730 56.036 55.300 0.010 0.000 1.099 433 M CB 0.025 32.450 32.600 -0.292 0.000 1.427 433 M HN 0.288 nan 8.290 nan 0.000 0.489 434 S N -1.232 114.577 115.700 0.182 0.000 2.597 434 S HA 0.053 4.524 4.470 0.001 0.000 0.224 434 S C 0.364 175.044 174.600 0.133 0.000 0.955 434 S CA -0.304 58.019 58.200 0.205 0.000 0.933 434 S CB -0.470 62.844 63.200 0.190 0.000 0.788 434 S HN 0.389 nan 8.310 nan 0.000 0.488 435 H N 4.220 123.317 119.070 0.045 0.000 3.157 435 H HA 0.015 4.572 4.556 0.001 0.000 0.299 435 H C -1.743 173.603 175.328 0.030 0.000 0.961 435 H CA -0.829 55.229 56.048 0.017 0.000 1.428 435 H CB 1.093 30.845 29.762 -0.016 0.000 1.459 435 H HN 0.103 nan 8.280 nan 0.000 0.566 436 P HA -0.081 nan 4.420 nan 0.000 0.226 436 P C 0.155 177.553 177.300 0.163 0.000 1.153 436 P CA 1.078 64.209 63.100 0.051 0.000 0.777 436 P CB 0.364 32.037 31.700 -0.046 0.000 0.794 437 E N -0.317 120.094 120.200 0.352 0.000 2.548 437 E HA 0.076 4.427 4.350 0.001 0.000 0.206 437 E C 0.335 177.022 176.600 0.145 0.000 1.005 437 E CA -0.234 56.308 56.400 0.236 0.000 0.951 437 E CB 0.309 30.133 29.700 0.206 0.000 1.035 437 E HN 0.220 nan 8.360 nan 0.000 0.470 438 S N 0.357 116.157 115.700 0.166 0.000 2.580 438 S HA 0.294 4.765 4.470 0.001 0.000 0.274 438 S C -0.402 174.293 174.600 0.159 0.000 1.329 438 S CA -0.721 57.518 58.200 0.066 0.000 1.036 438 S CB 0.742 63.968 63.200 0.044 0.000 0.919 438 S HN 0.160 nan 8.310 nan 0.000 0.515 439 F N 2.624 122.549 119.950 -0.043 0.000 2.382 439 F HA 0.611 5.138 4.527 0.001 0.000 0.361 439 F C -1.048 174.762 175.800 0.017 0.000 1.109 439 F CA -1.437 56.558 58.000 -0.007 0.000 1.031 439 F CB 0.565 39.547 39.000 -0.030 0.000 1.234 439 F HN 0.553 nan 8.300 nan 0.000 0.445 440 I N 7.159 127.501 120.570 -0.379 0.000 2.355 440 I HA 0.359 4.530 4.170 0.001 0.000 0.288 440 I C -0.960 174.916 176.117 -0.401 0.000 0.999 440 I CA -0.950 60.192 61.300 -0.263 0.000 1.163 440 I CB 1.619 39.575 38.000 -0.072 0.000 1.316 440 I HN 0.194 nan 8.210 nan 0.000 0.454 441 V N 5.646 125.391 119.914 -0.283 0.000 2.398 441 V HA 0.322 4.443 4.120 0.001 0.000 0.286 441 V C -0.265 175.770 176.094 -0.098 0.000 1.026 441 V CA -0.465 61.705 62.300 -0.217 0.000 0.868 441 V CB 1.510 33.263 31.823 -0.116 0.000 0.982 441 V HN 0.780 nan 8.190 nan 0.000 0.443 442 C N 6.287 125.539 119.300 -0.081 0.000 2.322 442 C HA 0.594 5.054 4.460 0.001 0.000 0.324 442 C C 0.205 175.182 174.990 -0.022 0.000 1.284 442 C CA -0.729 58.269 59.018 -0.034 0.000 1.606 442 C CB 0.327 28.065 27.740 -0.002 0.000 2.251 442 C HN 0.728 nan 8.230 nan 0.000 0.502 443 I N 3.695 124.264 120.570 -0.000 0.000 2.306 443 I HA 0.417 4.588 4.170 0.001 0.000 0.288 443 I C -0.180 175.978 176.117 0.067 0.000 1.036 443 I CA 0.373 61.701 61.300 0.046 0.000 1.221 443 I CB 0.618 38.674 38.000 0.094 0.000 1.385 443 I HN 0.610 nan 8.210 nan 0.000 0.472 444 E N 4.998 125.235 120.200 0.061 0.000 2.304 444 E HA 0.581 4.932 4.350 0.001 0.000 0.277 444 E C -0.421 176.195 176.600 0.027 0.000 0.898 444 E CA -0.506 55.941 56.400 0.078 0.000 0.764 444 E CB 1.987 31.733 29.700 0.077 0.000 1.216 444 E HN 0.524 nan 8.360 nan 0.000 0.419 445 A N 3.792 126.618 122.820 0.010 0.000 2.081 445 A HA 0.285 4.606 4.320 0.001 0.000 0.214 445 A C -0.081 177.117 177.584 -0.644 0.000 1.158 445 A CA 0.487 52.341 52.037 -0.305 0.000 0.724 445 A CB -0.038 18.748 19.000 -0.356 0.000 0.826 445 A HN 0.391 nan 8.150 nan 0.000 0.463 446 F N -1.002 118.952 119.950 0.006 0.000 2.518 446 F HA 0.414 4.942 4.527 0.002 0.000 0.323 446 F C -1.833 173.973 175.800 0.010 0.000 1.129 446 F CA -2.225 55.768 58.000 -0.012 0.000 0.920 446 F CB 1.956 40.941 39.000 -0.024 0.000 1.160 446 F HN -0.107 nan 8.300 nan 0.000 0.440 447 P HA -0.121 nan 4.420 nan 0.000 0.226 447 P C 0.661 178.015 177.300 0.090 0.000 1.153 447 P CA 1.217 64.365 63.100 0.079 0.000 0.777 447 P CB 0.129 31.857 31.700 0.046 0.000 0.794 448 D N -0.530 119.944 120.400 0.123 0.000 2.340 448 D HA 0.042 4.683 4.640 0.001 0.000 0.220 448 D C 0.590 176.957 176.300 0.112 0.000 1.039 448 D CA -0.159 53.900 54.000 0.097 0.000 0.866 448 D CB -0.493 40.358 40.800 0.085 0.000 0.913 448 D HN -0.017 nan 8.370 nan 0.000 0.523 449 A N 1.323 124.227 122.820 0.139 0.000 2.545 449 A HA 0.087 4.407 4.320 0.001 0.000 0.253 449 A C 1.446 179.114 177.584 0.139 0.000 1.074 449 A CA -0.202 51.924 52.037 0.149 0.000 0.760 449 A CB 0.663 19.760 19.000 0.161 0.000 1.005 449 A HN 0.102 nan 8.150 nan 0.000 0.506 450 V N 3.480 123.496 119.914 0.170 0.000 2.568 450 V HA -0.180 3.940 4.120 0.001 0.000 0.253 450 V C 2.316 178.528 176.094 0.196 0.000 1.072 450 V CA 2.916 65.308 62.300 0.153 0.000 1.084 450 V CB -0.822 31.095 31.823 0.157 0.000 0.676 450 V HN 1.022 nan 8.190 nan 0.000 0.469 451 T N 0.651 115.334 114.554 0.215 0.000 2.803 451 T HA -0.153 4.198 4.350 0.001 0.000 0.269 451 T C 1.743 176.584 174.700 0.236 0.000 1.052 451 T CA 1.700 63.955 62.100 0.258 0.000 1.136 451 T CB -0.296 68.678 68.868 0.178 0.000 0.864 451 T HN 0.457 nan 8.240 nan 0.000 0.467 452 L N 0.778 122.078 121.223 0.128 0.000 2.265 452 L HA -0.091 4.250 4.340 0.001 0.000 0.215 452 L C 2.495 179.360 176.870 -0.008 0.000 1.117 452 L CA 1.175 56.050 54.840 0.058 0.000 0.782 452 L CB -0.637 41.445 42.059 0.038 0.000 0.914 452 L HN 0.378 nan 8.230 nan 0.000 0.441 453 E N -0.694 119.469 120.200 -0.061 0.000 2.333 453 E HA -0.202 4.149 4.350 0.001 0.000 0.198 453 E C 1.258 177.558 176.600 -0.501 0.000 1.007 453 E CA 1.087 57.315 56.400 -0.286 0.000 0.845 453 E CB 0.054 29.513 29.700 -0.402 0.000 0.766 453 E HN 0.584 nan 8.360 nan 0.000 0.507 454 Y N -0.524 119.759 120.300 -0.029 0.000 2.444 454 Y HA 0.313 4.863 4.550 0.001 0.000 0.249 454 Y C 0.806 176.690 175.900 -0.028 0.000 1.134 454 Y CA -0.366 57.722 58.100 -0.019 0.000 1.261 454 Y CB 0.512 38.973 38.460 0.001 0.000 1.143 454 Y HN -0.119 nan 8.280 nan 0.000 0.523 455 A N 0.608 123.462 122.820 0.057 0.000 2.440 455 A HA 0.136 4.457 4.320 0.001 0.000 0.251 455 A C 0.646 178.197 177.584 -0.055 0.000 1.089 455 A CA -0.120 51.910 52.037 -0.012 0.000 0.779 455 A CB 0.244 19.230 19.000 -0.023 0.000 1.022 455 A HN 0.329 nan 8.150 nan 0.000 0.492 456 D N 0.186 120.509 120.400 -0.129 0.000 2.301 456 D HA 0.132 4.773 4.640 0.001 0.000 0.206 456 D C -0.254 175.985 176.300 -0.101 0.000 0.979 456 D CA 0.872 54.809 54.000 -0.104 0.000 0.874 456 D CB 0.362 41.088 40.800 -0.123 0.000 0.968 456 D HN 0.339 nan 8.370 nan 0.000 0.510 457 L N 0.713 121.821 121.223 -0.192 0.000 2.455 457 L HA 0.347 4.688 4.340 0.001 0.000 0.264 457 L C -1.613 175.182 176.870 -0.126 0.000 0.968 457 L CA -0.725 54.042 54.840 -0.122 0.000 0.827 457 L CB 2.459 44.470 42.059 -0.079 0.000 1.317 457 L HN -0.350 nan 8.230 nan 0.000 0.407 458 V N 5.773 125.619 119.914 -0.114 0.000 2.444 458 V HA 0.531 4.652 4.120 0.001 0.000 0.294 458 V C -0.369 175.619 176.094 -0.177 0.000 1.022 458 V CA -0.536 61.697 62.300 -0.112 0.000 0.850 458 V CB 1.594 33.367 31.823 -0.085 0.000 0.992 458 V HN 0.604 nan 8.190 nan 0.000 0.426 459 L N 6.854 127.982 121.223 -0.158 0.000 2.307 459 L HA 0.562 4.903 4.340 0.001 0.000 0.284 459 L C -2.429 174.385 176.870 -0.094 0.000 1.023 459 L CA -1.852 52.831 54.840 -0.261 0.000 0.810 459 L CB 2.475 44.450 42.059 -0.140 0.000 1.231 459 L HN 0.396 nan 8.230 nan 0.000 0.423 460 P HA 0.240 nan 4.420 nan 0.000 0.286 460 P C -2.697 174.747 177.300 0.240 0.000 1.321 460 P CA -1.665 61.478 63.100 0.071 0.000 0.790 460 P CB 0.644 32.379 31.700 0.059 0.000 0.897 461 P HA 0.228 nan 4.420 nan 0.000 0.290 461 P C -0.380 177.012 177.300 0.153 0.000 1.275 461 P CA -0.683 62.530 63.100 0.189 0.000 0.841 461 P CB 1.001 32.805 31.700 0.173 0.000 1.042 462 A N 3.181 126.084 122.820 0.138 0.000 2.546 462 A HA 0.189 4.510 4.320 0.001 0.000 0.243 462 A C -0.345 177.345 177.584 0.176 0.000 1.063 462 A CA 0.105 52.213 52.037 0.117 0.000 0.757 462 A CB -0.894 18.139 19.000 0.054 0.000 0.991 462 A HN 0.547 nan 8.150 nan 0.000 0.503 463 F N 4.411 124.384 119.950 0.038 0.000 2.408 463 F HA 0.503 5.031 4.527 0.001 0.000 0.344 463 F C 0.547 176.448 175.800 0.168 0.000 1.112 463 F CA -0.462 57.601 58.000 0.104 0.000 1.096 463 F CB 0.406 39.457 39.000 0.085 0.000 1.129 463 F HN 0.962 nan 8.300 nan 0.000 0.486 464 W N 4.534 125.369 121.300 -0.774 0.000 2.411 464 W HA -0.475 4.186 4.660 0.001 0.000 0.302 464 W C 1.535 177.786 176.519 -0.447 0.000 1.498 464 W CA 2.865 59.717 57.345 -0.823 0.000 1.464 464 W CB -1.592 27.035 29.460 -1.390 0.000 0.900 464 W HN 0.868 nan 8.180 nan 0.000 0.501 465 C N 0.937 119.631 119.300 -1.009 0.000 2.509 465 C HA 0.361 4.821 4.460 0.001 0.000 0.301 465 C C 1.686 176.411 174.990 -0.441 0.000 1.317 465 C CA 0.593 59.087 59.018 -0.873 0.000 1.667 465 C CB -1.830 25.156 27.740 -1.256 0.000 1.717 465 C HN 0.484 nan 8.230 nan 0.000 0.595 466 E N 1.414 121.463 120.200 -0.252 0.000 2.478 466 E HA -0.019 4.331 4.350 0.001 0.000 0.198 466 E C 1.071 177.597 176.600 -0.123 0.000 1.046 466 E CA 0.468 56.795 56.400 -0.121 0.000 0.870 466 E CB 0.174 29.872 29.700 -0.002 0.000 0.818 466 E HN 0.782 nan 8.360 nan 0.000 0.527 467 R N 1.091 121.490 120.500 -0.169 0.000 2.752 467 R HA 0.159 4.500 4.340 0.001 0.000 0.271 467 R C -1.526 174.651 176.300 -0.204 0.000 1.026 467 R CA -0.855 55.156 56.100 -0.149 0.000 0.901 467 R CB 0.220 30.464 30.300 -0.094 0.000 1.243 467 R HN -0.155 nan 8.270 nan 0.000 0.463 468 D N -0.092 120.201 120.400 -0.177 0.000 2.283 468 D HA 0.666 5.307 4.640 0.001 0.000 0.248 468 D C 0.055 176.232 176.300 -0.204 0.000 1.072 468 D CA -0.242 53.636 54.000 -0.204 0.000 0.929 468 D CB 1.619 42.316 40.800 -0.172 0.000 1.182 468 D HN 0.790 nan 8.370 nan 0.000 0.433 469 G N -0.756 107.891 108.800 -0.255 0.000 2.340 469 G HA2 0.368 4.329 3.960 0.001 0.000 0.300 469 G HA3 0.368 4.329 3.960 0.001 0.000 0.300 469 G C -1.668 173.042 174.900 -0.316 0.000 1.488 469 G CA -0.804 44.145 45.100 -0.252 0.000 0.878 469 G HN 0.452 nan 8.290 nan 0.000 0.618 470 V N 1.074 120.811 119.914 -0.294 0.000 2.539 470 V HA 0.605 4.726 4.120 0.001 0.000 0.292 470 V C -0.840 175.260 176.094 0.010 0.000 1.045 470 V CA -0.716 61.406 62.300 -0.296 0.000 0.945 470 V CB 1.442 32.864 31.823 -0.669 0.000 0.993 470 V HN 0.593 nan 8.190 nan 0.000 0.464 471 Y N 1.919 122.171 120.300 -0.079 0.000 2.341 471 Y HA 0.665 5.215 4.550 0.001 0.000 0.338 471 Y C 0.593 176.538 175.900 0.074 0.000 0.965 471 Y CA -1.529 56.580 58.100 0.016 0.000 1.108 471 Y CB 2.094 40.587 38.460 0.055 0.000 1.180 471 Y HN 0.670 nan 8.280 nan 0.000 0.458 472 G N 3.173 112.110 108.800 0.228 0.000 2.468 472 G HA2 0.465 4.425 3.960 0.001 0.000 0.320 472 G HA3 0.465 4.425 3.960 0.001 0.000 0.320 472 G C 0.158 175.241 174.900 0.306 0.000 1.137 472 G CA -0.493 44.825 45.100 0.363 0.000 0.984 472 G HN 0.876 nan 8.290 nan 0.000 0.462 473 C N 1.444 120.919 119.300 0.291 0.000 2.574 473 C HA 0.735 5.196 4.460 0.001 0.000 0.335 473 C C 2.268 177.376 174.990 0.196 0.000 1.493 473 C CA 0.156 59.319 59.018 0.240 0.000 2.217 473 C CB 0.773 28.687 27.740 0.291 0.000 2.056 473 C HN 0.708 nan 8.230 nan 0.000 0.607 474 G N 0.125 109.062 108.800 0.229 0.000 2.485 474 G HA2 -0.176 3.785 3.960 0.001 0.000 0.221 474 G HA3 -0.176 3.785 3.960 0.001 0.000 0.221 474 G C 1.209 176.084 174.900 -0.041 0.000 1.115 474 G CA 1.170 46.366 45.100 0.160 0.000 0.751 474 G HN 1.022 nan 8.290 nan 0.000 0.567 475 E N -0.895 119.157 120.200 -0.246 0.000 2.451 475 E HA 0.344 4.695 4.350 0.001 0.000 0.194 475 E C 0.981 177.345 176.600 -0.393 0.000 1.027 475 E CA -0.654 55.499 56.400 -0.411 0.000 0.914 475 E CB 0.029 29.105 29.700 -1.041 0.000 1.054 475 E HN 0.290 nan 8.360 nan 0.000 0.461 476 R N -0.084 120.245 120.500 -0.285 0.000 3.919 476 R HA -0.160 4.180 4.340 0.001 0.000 0.412 476 R C -0.057 176.049 176.300 -0.324 0.000 1.102 476 R CA 0.771 56.602 56.100 -0.449 0.000 1.082 476 R CB -1.875 27.713 30.300 -1.186 0.000 1.671 476 R HN 0.268 nan 8.270 nan 0.000 0.540 477 R N 1.423 121.864 120.500 -0.097 0.000 2.234 477 R HA 0.188 4.529 4.340 0.001 0.000 0.324 477 R C -0.879 175.606 176.300 0.307 0.000 1.054 477 R CA -0.216 55.902 56.100 0.031 0.000 0.912 477 R CB 0.453 30.773 30.300 0.034 0.000 1.030 477 R HN -0.080 nan 8.270 nan 0.000 0.455 478 Y N 1.760 122.152 120.300 0.152 0.000 2.335 478 Y HA 0.340 4.891 4.550 0.001 0.000 0.339 478 Y C -0.081 175.857 175.900 0.063 0.000 0.987 478 Y CA -1.067 57.115 58.100 0.137 0.000 1.140 478 Y CB 2.153 40.711 38.460 0.163 0.000 1.173 478 Y HN 0.495 nan 8.280 nan 0.000 0.486 479 S N 3.643 119.454 115.700 0.185 0.000 2.557 479 S HA 0.431 4.902 4.470 0.001 0.000 0.291 479 S C -1.056 173.511 174.600 -0.054 0.000 1.116 479 S CA -0.670 57.575 58.200 0.075 0.000 0.992 479 S CB 1.843 65.119 63.200 0.126 0.000 1.028 479 S HN 0.498 nan 8.310 nan 0.000 0.484 480 L N 3.288 124.433 121.223 -0.130 0.000 2.380 480 L HA 0.420 4.761 4.340 0.001 0.000 0.273 480 L C -0.020 176.748 176.870 -0.170 0.000 1.138 480 L CA 0.696 55.409 54.840 -0.213 0.000 0.832 480 L CB 0.680 42.597 42.059 -0.237 0.000 1.124 480 L HN 0.609 nan 8.230 nan 0.000 0.454 481 T N 4.958 119.372 114.554 -0.234 0.000 2.753 481 T HA 0.320 4.670 4.350 0.001 0.000 0.297 481 T C -0.179 174.361 174.700 -0.266 0.000 0.981 481 T CA -0.467 61.477 62.100 -0.260 0.000 0.956 481 T CB 0.257 68.910 68.868 -0.357 0.000 0.936 481 T HN 0.602 nan 8.240 nan 0.000 0.463 482 E N 2.049 122.114 120.200 -0.225 0.000 2.374 482 E HA 0.179 4.530 4.350 0.001 0.000 0.260 482 E C 0.239 176.693 176.600 -0.244 0.000 1.101 482 E CA -0.667 55.611 56.400 -0.204 0.000 0.907 482 E CB 1.035 30.644 29.700 -0.151 0.000 1.014 482 E HN 0.409 nan 8.360 nan 0.000 0.427 483 K N 0.885 121.160 120.400 -0.208 0.000 2.412 483 K HA 0.103 4.423 4.320 0.001 0.000 0.281 483 K C -0.066 176.414 176.600 -0.200 0.000 1.027 483 K CA 0.214 56.374 56.287 -0.212 0.000 0.989 483 K CB 0.620 33.026 32.500 -0.157 0.000 0.935 483 K HN 0.590 nan 8.250 nan 0.000 0.475 484 A N 4.269 126.947 122.820 -0.238 0.000 2.070 484 A HA 0.178 4.499 4.320 0.001 0.000 0.202 484 A C -0.013 177.472 177.584 -0.165 0.000 1.277 484 A CA 0.633 52.543 52.037 -0.212 0.000 0.872 484 A CB 0.375 19.209 19.000 -0.277 0.000 0.933 484 A HN 0.540 nan 8.150 nan 0.000 0.475 485 V N -2.872 116.951 119.914 -0.153 0.000 3.147 485 V HA 0.531 4.652 4.120 0.001 0.000 0.306 485 V C -1.874 174.173 176.094 -0.079 0.000 1.209 485 V CA -1.332 60.907 62.300 -0.101 0.000 1.023 485 V CB 1.492 33.268 31.823 -0.078 0.000 1.059 485 V HN 0.058 nan 8.190 nan 0.000 0.435 486 D N 3.158 123.527 120.400 -0.052 0.000 2.372 486 D HA 0.397 5.038 4.640 0.001 0.000 0.243 486 D C -2.390 173.902 176.300 -0.012 0.000 1.121 486 D CA -0.788 53.191 54.000 -0.035 0.000 0.898 486 D CB 1.101 41.885 40.800 -0.027 0.000 1.202 486 D HN 0.620 nan 8.370 nan 0.000 0.428 487 P HA 0.181 nan 4.420 nan 0.000 0.271 487 P C -2.447 174.869 177.300 0.028 0.000 1.218 487 P CA -1.045 62.071 63.100 0.028 0.000 0.780 487 P CB -0.118 31.603 31.700 0.034 0.000 0.901 488 P HA 0.185 nan 4.420 nan 0.000 0.278 488 P C 0.782 178.106 177.300 0.040 0.000 1.258 488 P CA 0.338 63.455 63.100 0.028 0.000 0.811 488 P CB 0.348 32.059 31.700 0.019 0.000 1.063 489 G N 1.747 110.570 108.800 0.039 0.000 2.651 489 G HA2 -0.315 3.646 3.960 0.001 0.000 0.315 489 G HA3 -0.315 3.646 3.960 0.001 0.000 0.315 489 G C 0.320 175.275 174.900 0.091 0.000 1.258 489 G CA 0.416 45.549 45.100 0.055 0.000 1.002 489 G HN 0.628 nan 8.290 nan 0.000 0.551 490 Q N -0.249 119.640 119.800 0.148 0.000 2.189 490 Q HA 0.323 4.664 4.340 0.001 0.000 0.221 490 Q C 0.306 176.524 176.000 0.362 0.000 0.848 490 Q CA -0.302 55.661 55.803 0.268 0.000 1.007 490 Q CB 0.532 29.510 28.738 0.399 0.000 1.116 490 Q HN 0.517 nan 8.270 nan 0.000 0.481 491 C N 2.187 121.615 119.300 0.214 0.000 2.634 491 C HA 0.195 4.656 4.460 0.001 0.000 0.418 491 C C 0.742 175.817 174.990 0.142 0.000 1.373 491 C CA -0.078 59.066 59.018 0.210 0.000 1.756 491 C CB -0.564 27.248 27.740 0.120 0.000 2.589 491 C HN 0.402 nan 8.230 nan 0.000 0.602 492 R N 3.003 123.598 120.500 0.157 0.000 2.740 492 R HA 0.417 4.758 4.340 0.001 0.000 0.282 492 R C -2.890 173.422 176.300 0.020 0.000 0.969 492 R CA -1.668 54.413 56.100 -0.031 0.000 0.918 492 R CB 1.329 31.419 30.300 -0.352 0.000 1.175 492 R HN 0.367 nan 8.270 nan 0.000 0.464 493 P HA 0.029 nan 4.420 nan 0.000 0.267 493 P C 0.256 177.576 177.300 0.032 0.000 1.209 493 P CA 0.181 63.285 63.100 0.007 0.000 0.763 493 P CB 0.707 32.393 31.700 -0.023 0.000 0.816 494 T N 1.721 116.325 114.554 0.084 0.000 2.803 494 T HA -0.114 4.236 4.350 0.001 0.000 0.269 494 T C 1.780 176.538 174.700 0.098 0.000 1.052 494 T CA 1.063 63.240 62.100 0.130 0.000 1.136 494 T CB -0.404 68.573 68.868 0.182 0.000 0.864 494 T HN 0.102 nan 8.240 nan 0.000 0.467 495 V N 2.517 122.464 119.914 0.055 0.000 2.324 495 V HA -0.246 3.874 4.120 0.001 0.000 0.250 495 V C 2.410 178.532 176.094 0.046 0.000 1.060 495 V CA 1.673 63.991 62.300 0.030 0.000 1.042 495 V CB -0.465 31.353 31.823 -0.009 0.000 0.650 495 V HN 0.551 nan 8.190 nan 0.000 0.450 496 N N -0.414 118.301 118.700 0.024 0.000 2.135 496 N HA -0.116 4.624 4.740 0.001 0.000 0.186 496 N C 1.887 177.404 175.510 0.011 0.000 1.027 496 N CA 1.878 54.931 53.050 0.005 0.000 0.849 496 N CB -0.547 37.910 38.487 -0.051 0.000 1.002 496 N HN 0.449 nan 8.380 nan 0.000 0.425 497 T N 2.488 117.049 114.554 0.011 0.000 2.653 497 T HA -0.125 4.226 4.350 0.001 0.000 0.268 497 T C 1.961 176.776 174.700 0.190 0.000 1.035 497 T CA 0.848 63.001 62.100 0.087 0.000 1.154 497 T CB -0.244 68.735 68.868 0.185 0.000 0.862 497 T HN 0.015 nan 8.240 nan 0.000 0.441 498 L N 0.758 122.089 121.223 0.180 0.000 2.046 498 L HA -0.029 4.312 4.340 0.001 0.000 0.208 498 L C 2.672 179.649 176.870 0.179 0.000 1.077 498 L CA 1.190 56.162 54.840 0.220 0.000 0.747 498 L CB -1.288 40.842 42.059 0.117 0.000 0.896 498 L HN 0.151 nan 8.230 nan 0.000 0.432 499 V N -0.626 119.357 119.914 0.116 0.000 2.332 499 V HA -0.263 3.858 4.120 0.001 0.000 0.248 499 V C 2.605 178.723 176.094 0.041 0.000 1.055 499 V CA 1.749 64.093 62.300 0.073 0.000 1.038 499 V CB -0.370 31.512 31.823 0.097 0.000 0.651 499 V HN 0.404 nan 8.190 nan 0.000 0.450 500 E N -0.154 120.092 120.200 0.077 0.000 2.076 500 E HA -0.166 4.184 4.350 0.001 0.000 0.190 500 E C 1.873 178.547 176.600 0.123 0.000 0.979 500 E CA 1.086 57.528 56.400 0.071 0.000 0.807 500 E CB -0.452 29.284 29.700 0.060 0.000 0.761 500 E HN 0.498 nan 8.360 nan 0.000 0.454 501 F N 1.178 121.160 119.950 0.053 0.000 2.043 501 F HA -0.216 4.312 4.527 0.001 0.000 0.297 501 F C 2.029 177.846 175.800 0.028 0.000 1.121 501 F CA 2.182 60.220 58.000 0.064 0.000 1.199 501 F CB -1.050 37.995 39.000 0.076 0.000 0.968 501 F HN 0.070 nan 8.300 nan 0.000 0.478 502 A N 0.699 123.275 122.820 -0.406 0.000 1.892 502 A HA -0.238 4.082 4.320 0.001 0.000 0.218 502 A C 2.391 179.785 177.584 -0.317 0.000 1.188 502 A CA 2.065 53.785 52.037 -0.527 0.000 0.631 502 A CB -0.909 17.869 19.000 -0.370 0.000 0.822 502 A HN 0.525 nan 8.150 nan 0.000 0.447 503 R N -1.025 119.369 120.500 -0.177 0.000 2.083 503 R HA -0.116 4.224 4.340 0.001 0.000 0.237 503 R C 2.492 178.737 176.300 -0.091 0.000 1.137 503 R CA 1.853 57.884 56.100 -0.115 0.000 0.951 503 R CB -0.266 29.994 30.300 -0.067 0.000 0.851 503 R HN 0.491 nan 8.270 nan 0.000 0.434 504 R N -0.154 120.306 120.500 -0.067 0.000 2.115 504 R HA 0.010 4.351 4.340 0.001 0.000 0.226 504 R C 1.804 178.080 176.300 -0.041 0.000 1.100 504 R CA 1.133 57.221 56.100 -0.020 0.000 0.980 504 R CB -0.033 30.299 30.300 0.053 0.000 0.875 504 R HN 0.161 nan 8.270 nan 0.000 0.445 505 A N 0.081 122.820 122.820 -0.135 0.000 2.276 505 A HA 0.244 4.565 4.320 0.001 0.000 0.212 505 A C 1.235 178.797 177.584 -0.037 0.000 1.230 505 A CA 0.661 52.638 52.037 -0.101 0.000 0.844 505 A CB -0.380 18.472 19.000 -0.247 0.000 0.860 505 A HN 0.434 nan 8.150 nan 0.000 0.486 506 G N -1.549 107.217 108.800 -0.057 0.000 2.143 506 G HA2 -0.201 3.760 3.960 0.001 0.000 0.249 506 G HA3 -0.201 3.760 3.960 0.001 0.000 0.249 506 G C 0.177 175.044 174.900 -0.056 0.000 0.981 506 G CA 0.112 45.188 45.100 -0.039 0.000 0.665 506 G HN 0.734 nan 8.290 nan 0.000 0.528 507 V N 1.429 121.274 119.914 -0.114 0.000 2.614 507 V HA 0.245 4.366 4.120 0.001 0.000 0.291 507 V C 1.032 177.037 176.094 -0.147 0.000 1.049 507 V CA -0.557 61.642 62.300 -0.169 0.000 1.038 507 V CB 1.520 33.145 31.823 -0.330 0.000 0.980 507 V HN 0.409 nan 8.190 nan 0.000 0.481 508 D N 6.328 126.649 120.400 -0.130 0.000 2.581 508 D HA -0.022 4.619 4.640 0.001 0.000 0.238 508 D C -1.569 174.644 176.300 -0.144 0.000 1.145 508 D CA -0.804 53.127 54.000 -0.115 0.000 0.866 508 D CB 1.647 42.387 40.800 -0.100 0.000 1.151 508 D HN 0.296 nan 8.370 nan 0.000 0.500 509 P HA -0.112 nan 4.420 nan 0.000 0.220 509 P C 1.255 178.451 177.300 -0.175 0.000 1.148 509 P CA 0.675 63.690 63.100 -0.142 0.000 0.803 509 P CB 0.196 31.832 31.700 -0.106 0.000 0.782 510 Q N -0.724 118.986 119.800 -0.149 0.000 2.234 510 Q HA -0.160 4.181 4.340 0.001 0.000 0.206 510 Q C 1.485 177.355 176.000 -0.217 0.000 0.980 510 Q CA 1.050 56.758 55.803 -0.158 0.000 0.869 510 Q CB -0.401 28.278 28.738 -0.099 0.000 0.912 510 Q HN 0.190 nan 8.270 nan 0.000 0.436 511 L N -0.663 120.424 121.223 -0.226 0.000 2.313 511 L HA -0.074 4.267 4.340 0.001 0.000 0.214 511 L C 1.410 178.066 176.870 -0.356 0.000 1.119 511 L CA 0.915 55.589 54.840 -0.277 0.000 0.809 511 L CB 0.329 42.224 42.059 -0.273 0.000 0.933 511 L HN 0.132 nan 8.230 nan 0.000 0.449 512 V N -3.910 115.774 119.914 -0.382 0.000 2.778 512 V HA 0.383 4.503 4.120 0.001 0.000 0.356 512 V C 0.489 176.207 176.094 -0.627 0.000 1.283 512 V CA -0.671 61.386 62.300 -0.406 0.000 1.247 512 V CB -0.234 31.509 31.823 -0.134 0.000 1.408 512 V HN 0.189 nan 8.190 nan 0.000 0.620 513 N N 2.398 120.518 118.700 -0.967 0.000 3.127 513 N HA 0.283 5.024 4.740 0.001 0.000 0.317 513 N C -1.070 174.046 175.510 -0.657 0.000 1.242 513 N CA 0.041 52.693 53.050 -0.662 0.000 1.203 513 N CB -0.845 37.361 38.487 -0.468 0.000 1.462 513 N HN 0.701 nan 8.380 nan 0.000 0.546 514 F N -0.675 119.266 119.950 -0.016 0.000 2.539 514 F HA 0.398 4.925 4.527 0.001 0.000 0.318 514 F C 1.273 177.065 175.800 -0.012 0.000 1.135 514 F CA -1.056 56.941 58.000 -0.005 0.000 0.915 514 F CB 1.815 40.817 39.000 0.003 0.000 1.176 514 F HN -0.046 nan 8.300 nan 0.000 0.440 515 R N 1.053 121.655 120.500 0.168 0.000 2.173 515 R HA 0.107 4.448 4.340 0.001 0.000 0.208 515 R C -0.202 176.139 176.300 0.069 0.000 1.035 515 R CA 0.620 56.770 56.100 0.083 0.000 1.004 515 R CB 0.004 30.332 30.300 0.047 0.000 0.917 515 R HN 0.788 nan 8.270 nan 0.000 0.462 516 N N -3.004 115.749 118.700 0.088 0.000 3.308 516 N HA 0.210 4.951 4.740 0.001 0.000 0.276 516 N C -0.172 175.344 175.510 0.011 0.000 1.533 516 N CA -0.189 52.881 53.050 0.033 0.000 0.878 516 N CB 0.268 38.761 38.487 0.009 0.000 1.566 516 N HN -0.164 nan 8.380 nan 0.000 0.546 517 A N -0.458 122.347 122.820 -0.024 0.000 1.969 517 A HA -0.136 4.185 4.320 0.001 0.000 0.218 517 A C 1.791 179.377 177.584 0.003 0.000 1.169 517 A CA 1.893 53.904 52.037 -0.043 0.000 0.635 517 A CB -1.036 17.926 19.000 -0.063 0.000 0.810 517 A HN 0.831 nan 8.150 nan 0.000 0.445 518 E N 0.044 120.253 120.200 0.016 0.000 2.077 518 E HA -0.252 4.098 4.350 0.001 0.000 0.193 518 E C 1.260 177.933 176.600 0.122 0.000 0.989 518 E CA 1.427 57.870 56.400 0.072 0.000 0.800 518 E CB -0.157 29.562 29.700 0.032 0.000 0.746 518 E HN 0.520 nan 8.360 nan 0.000 0.452 519 D N 0.249 120.712 120.400 0.105 0.000 2.116 519 D HA -0.191 4.449 4.640 0.001 0.000 0.193 519 D C 2.011 178.393 176.300 0.137 0.000 0.998 519 D CA 1.511 55.620 54.000 0.181 0.000 0.836 519 D CB -0.541 40.437 40.800 0.297 0.000 0.951 519 D HN 0.244 nan 8.370 nan 0.000 0.449 520 V N 0.213 120.028 119.914 -0.165 0.000 2.358 520 V HA -0.149 3.972 4.120 0.001 0.000 0.246 520 V C 1.998 177.945 176.094 -0.245 0.000 1.047 520 V CA 1.525 63.474 62.300 -0.586 0.000 1.035 520 V CB -0.524 30.691 31.823 -1.014 0.000 0.658 520 V HN 0.397 nan 8.190 nan 0.000 0.452 521 W N 1.023 122.212 121.300 -0.185 0.000 2.321 521 W HA -0.260 4.400 4.660 0.001 0.000 0.306 521 W C 2.183 178.706 176.519 0.006 0.000 1.217 521 W CA 2.154 59.480 57.345 -0.033 0.000 1.257 521 W CB -0.347 29.101 29.460 -0.020 0.000 1.145 521 W HN 0.415 nan 8.180 nan 0.000 0.509 522 N N 0.487 119.200 118.700 0.022 0.000 2.188 522 N HA -0.190 4.551 4.740 0.001 0.000 0.184 522 N C 1.663 177.160 175.510 -0.021 0.000 1.018 522 N CA 1.703 54.720 53.050 -0.056 0.000 0.858 522 N CB -0.739 37.769 38.487 0.035 0.000 0.989 522 N HN 0.434 nan 8.380 nan 0.000 0.426 523 E N -0.068 120.164 120.200 0.053 0.000 2.046 523 E HA -0.158 4.193 4.350 0.001 0.000 0.190 523 E C 1.856 178.524 176.600 0.113 0.000 0.982 523 E CA 0.544 57.038 56.400 0.157 0.000 0.800 523 E CB -0.203 29.702 29.700 0.343 0.000 0.756 523 E HN 0.477 nan 8.360 nan 0.000 0.449 524 W N 1.633 122.669 121.300 -0.439 0.000 2.321 524 W HA -0.280 4.381 4.660 0.001 0.000 0.306 524 W C 2.181 178.447 176.519 -0.422 0.000 1.217 524 W CA 0.997 58.072 57.345 -0.449 0.000 1.257 524 W CB -0.027 29.025 29.460 -0.679 0.000 1.145 524 W HN 0.066 nan 8.180 nan 0.000 0.509 525 R N -0.268 119.866 120.500 -0.610 0.000 2.096 525 R HA -0.270 4.071 4.340 0.001 0.000 0.240 525 R C 2.424 178.534 176.300 -0.316 0.000 1.139 525 R CA 2.068 57.660 56.100 -0.847 0.000 0.952 525 R CB -0.951 28.976 30.300 -0.620 0.000 0.854 525 R HN 0.321 nan 8.270 nan 0.000 0.436 526 M N 0.680 120.319 119.600 0.065 0.000 2.175 526 M HA -0.121 4.359 4.480 0.001 0.000 0.264 526 M C 1.880 178.145 176.300 -0.059 0.000 1.063 526 M CA 1.530 56.912 55.300 0.137 0.000 1.119 526 M CB 0.105 32.843 32.600 0.229 0.000 1.377 526 M HN -0.004 nan 8.290 nan 0.000 0.415 527 V N 0.753 120.678 119.914 0.019 0.000 2.759 527 V HA -0.187 3.934 4.120 0.001 0.000 0.256 527 V C 2.466 178.507 176.094 -0.088 0.000 1.080 527 V CA 1.852 64.185 62.300 0.055 0.000 1.101 527 V CB -0.845 31.194 31.823 0.360 0.000 0.698 527 V HN 0.722 nan 8.190 nan 0.000 0.477 528 S N -1.217 114.248 115.700 -0.392 0.000 2.501 528 S HA 0.016 4.486 4.470 0.001 0.000 0.220 528 S C 1.041 175.407 174.600 -0.390 0.000 0.997 528 S CA 0.011 57.871 58.200 -0.567 0.000 0.919 528 S CB -0.164 62.216 63.200 -1.367 0.000 0.778 528 S HN 0.547 nan 8.310 nan 0.000 0.523 529 K N 1.128 121.322 120.400 -0.344 0.000 2.451 529 K HA 0.333 4.654 4.320 0.001 0.000 0.280 529 K C 1.213 177.669 176.600 -0.241 0.000 1.020 529 K CA 0.965 57.069 56.287 -0.306 0.000 1.008 529 K CB -0.170 32.068 32.500 -0.436 0.000 0.917 529 K HN 0.454 nan 8.250 nan 0.000 0.478 530 G N 2.268 110.945 108.800 -0.204 0.000 2.225 530 G HA2 -0.313 3.648 3.960 0.001 0.000 0.254 530 G HA3 -0.313 3.648 3.960 0.001 0.000 0.254 530 G C 0.273 175.105 174.900 -0.114 0.000 0.988 530 G CA 0.618 45.625 45.100 -0.155 0.000 0.625 530 G HN 0.799 nan 8.290 nan 0.000 0.527 531 T N -1.740 112.753 114.554 -0.102 0.000 2.847 531 T HA 0.528 4.879 4.350 0.001 0.000 0.279 531 T C 1.695 176.385 174.700 -0.016 0.000 0.984 531 T CA 1.053 63.132 62.100 -0.034 0.000 0.988 531 T CB 1.247 70.124 68.868 0.015 0.000 1.040 531 T HN 0.969 nan 8.240 nan 0.000 0.528 532 T N -1.927 112.647 114.554 0.034 0.000 3.163 532 T HA 0.037 4.387 4.350 0.001 0.000 0.260 532 T C 0.920 175.616 174.700 -0.007 0.000 1.156 532 T CA 0.404 62.506 62.100 0.004 0.000 1.072 532 T CB -0.816 68.102 68.868 0.084 0.000 0.937 532 T HN 0.698 nan 8.240 nan 0.000 0.528 533 Y N 0.781 121.032 120.300 -0.083 0.000 2.497 533 Y HA 0.252 4.802 4.550 0.001 0.000 0.265 533 Y C 1.101 176.911 175.900 -0.150 0.000 1.111 533 Y CA -0.976 56.939 58.100 -0.309 0.000 1.288 533 Y CB 0.073 38.247 38.460 -0.478 0.000 1.082 533 Y HN 0.173 nan 8.280 nan 0.000 0.536 534 D N 1.585 121.981 120.400 -0.007 0.000 3.434 534 D HA -0.218 4.423 4.640 0.001 0.000 0.215 534 D C -0.075 176.219 176.300 -0.011 0.000 1.157 534 D CA 0.807 54.734 54.000 -0.123 0.000 0.785 534 D CB -0.165 40.569 40.800 -0.109 0.000 1.164 534 D HN 0.404 nan 8.370 nan 0.000 0.580 535 F N 2.996 122.864 119.950 -0.136 0.000 2.791 535 F HA 0.268 4.796 4.527 0.001 0.000 0.308 535 F C 1.413 177.182 175.800 -0.051 0.000 1.138 535 F CA -1.259 56.698 58.000 -0.072 0.000 1.294 535 F CB -0.646 38.310 39.000 -0.072 0.000 0.975 535 F HN 0.366 nan 8.300 nan 0.000 0.512 536 W N 2.295 123.366 121.300 -0.383 0.000 2.313 536 W HA -0.193 4.467 4.660 0.001 0.000 0.293 536 W C 1.571 178.041 176.519 -0.082 0.000 1.216 536 W CA 2.205 59.372 57.345 -0.297 0.000 1.223 536 W CB -0.410 28.896 29.460 -0.258 0.000 1.138 536 W HN 0.351 nan 8.180 nan 0.000 0.535 537 G N 0.569 109.392 108.800 0.039 0.000 2.598 537 G HA2 -0.115 3.845 3.960 0.001 0.000 0.215 537 G HA3 -0.115 3.845 3.960 0.001 0.000 0.215 537 G C 0.924 175.854 174.900 0.049 0.000 1.131 537 G CA -0.051 45.062 45.100 0.023 0.000 0.785 537 G HN 0.159 nan 8.290 nan 0.000 0.539 538 M N 3.353 123.043 119.600 0.148 0.000 3.422 538 M HA 0.145 4.626 4.480 0.001 0.000 0.248 538 M C 0.555 177.045 176.300 0.318 0.000 1.433 538 M CA -0.201 55.272 55.300 0.289 0.000 1.592 538 M CB -0.324 32.594 32.600 0.530 0.000 1.078 538 M HN 0.109 nan 8.290 nan 0.000 0.578 539 T N -2.339 112.279 114.554 0.107 0.000 2.900 539 T HA 0.155 4.506 4.350 0.001 0.000 0.307 539 T C 1.111 175.886 174.700 0.125 0.000 1.065 539 T CA -0.487 61.655 62.100 0.070 0.000 1.105 539 T CB 1.487 70.329 68.868 -0.044 0.000 0.979 539 T HN 0.509 nan 8.240 nan 0.000 0.544 540 R N 0.787 121.354 120.500 0.112 0.000 2.139 540 R HA -0.135 4.206 4.340 0.001 0.000 0.243 540 R C 2.387 178.668 176.300 -0.031 0.000 1.145 540 R CA 2.114 58.210 56.100 -0.007 0.000 0.976 540 R CB -0.624 29.672 30.300 -0.007 0.000 0.866 540 R HN 0.967 nan 8.270 nan 0.000 0.449 541 E N -0.269 119.926 120.200 -0.008 0.000 2.072 541 E HA -0.186 4.164 4.350 0.001 0.000 0.191 541 E C 1.815 178.410 176.600 -0.008 0.000 0.985 541 E CA 0.915 57.306 56.400 -0.014 0.000 0.801 541 E CB 0.023 29.716 29.700 -0.011 0.000 0.750 541 E HN 0.287 nan 8.360 nan 0.000 0.452 542 R N -0.190 120.315 120.500 0.009 0.000 2.075 542 R HA -0.096 4.244 4.340 0.001 0.000 0.232 542 R C 2.357 178.666 176.300 0.014 0.000 1.126 542 R CA 0.923 57.035 56.100 0.020 0.000 0.963 542 R CB -0.215 30.111 30.300 0.044 0.000 0.858 542 R HN 0.210 nan 8.270 nan 0.000 0.435 543 L N 0.933 122.159 121.223 0.005 0.000 2.131 543 L HA -0.124 4.217 4.340 0.001 0.000 0.210 543 L C 2.270 179.104 176.870 -0.059 0.000 1.092 543 L CA 1.557 56.377 54.840 -0.034 0.000 0.759 543 L CB -0.626 41.367 42.059 -0.109 0.000 0.903 543 L HN 0.084 nan 8.230 nan 0.000 0.435 544 R N -0.016 120.447 120.500 -0.062 0.000 2.083 544 R HA -0.212 4.129 4.340 0.001 0.000 0.237 544 R C 2.141 178.419 176.300 -0.036 0.000 1.137 544 R CA 1.896 57.961 56.100 -0.058 0.000 0.951 544 R CB -0.177 30.091 30.300 -0.053 0.000 0.851 544 R HN 0.484 nan 8.270 nan 0.000 0.434 545 K N -0.105 120.282 120.400 -0.022 0.000 2.262 545 K HA 0.073 4.394 4.320 0.001 0.000 0.200 545 K C 0.488 177.084 176.600 -0.007 0.000 1.049 545 K CA 0.533 56.812 56.287 -0.013 0.000 0.979 545 K CB 0.253 32.748 32.500 -0.008 0.000 0.773 545 K HN -0.099 nan 8.250 nan 0.000 0.474 546 E N 1.397 121.597 120.200 -0.001 0.000 2.318 546 E HA 0.134 4.485 4.350 0.001 0.000 0.265 546 E C -0.597 176.009 176.600 0.009 0.000 1.069 546 E CA -0.225 56.181 56.400 0.010 0.000 0.893 546 E CB 1.701 31.416 29.700 0.025 0.000 1.076 546 E HN 0.071 nan 8.360 nan 0.000 0.414 547 S N 1.000 116.712 115.700 0.019 0.000 3.548 547 S HA 0.422 4.893 4.470 0.001 0.000 0.195 547 S C 0.242 174.878 174.600 0.061 0.000 1.432 547 S CA 0.011 58.228 58.200 0.028 0.000 1.087 547 S CB -0.145 63.066 63.200 0.018 0.000 1.337 547 S HN 0.720 nan 8.310 nan 0.000 0.505 548 G N 1.451 110.289 108.800 0.063 0.000 2.721 548 G HA2 -0.134 3.826 3.960 0.001 0.000 0.686 548 G HA3 -0.134 3.826 3.960 0.001 0.000 0.686 548 G C -1.149 173.802 174.900 0.086 0.000 1.236 548 G CA -1.012 44.145 45.100 0.095 0.000 0.786 548 G HN 0.501 nan 8.290 nan 0.000 0.616 549 L N 0.919 122.205 121.223 0.104 0.000 2.354 549 L HA 0.709 5.050 4.340 0.001 0.000 0.264 549 L C 0.401 177.288 176.870 0.029 0.000 1.008 549 L CA -1.170 53.718 54.840 0.080 0.000 0.819 549 L CB 2.226 44.355 42.059 0.117 0.000 1.339 549 L HN 0.560 nan 8.230 nan 0.000 0.420 550 I N 2.078 122.632 120.570 -0.026 0.000 2.339 550 I HA 0.213 4.384 4.170 0.001 0.000 0.290 550 I C -0.318 175.717 176.117 -0.136 0.000 0.994 550 I CA -0.558 60.645 61.300 -0.162 0.000 1.191 550 I CB 0.923 38.797 38.000 -0.210 0.000 1.343 550 I HN 0.564 nan 8.210 nan 0.000 0.458 551 W N 6.856 127.996 121.300 -0.266 0.000 2.161 551 W HA 0.456 5.116 4.660 0.001 0.000 0.344 551 W C -2.880 173.532 176.519 -0.177 0.000 1.262 551 W CA -2.570 54.650 57.345 -0.208 0.000 1.270 551 W CB -0.483 28.816 29.460 -0.269 0.000 1.126 551 W HN 0.193 nan 8.180 nan 0.000 0.598 552 P HA 0.018 nan 4.420 nan 0.000 0.265 552 P C -0.416 176.898 177.300 0.024 0.000 1.193 552 P CA 0.118 63.336 63.100 0.196 0.000 0.765 552 P CB 0.592 32.337 31.700 0.075 0.000 0.823 553 C N 6.600 125.920 119.300 0.034 0.000 3.493 553 C HA 0.323 4.784 4.460 0.001 0.000 0.228 553 C C -1.821 173.168 174.990 -0.000 0.000 1.227 553 C CA -1.665 57.359 59.018 0.011 0.000 1.291 553 C CB 0.115 27.963 27.740 0.179 0.000 1.820 553 C HN 0.496 nan 8.230 nan 0.000 0.547 554 P HA 0.086 nan 4.420 nan 0.000 0.249 554 P C 0.178 177.562 177.300 0.140 0.000 1.229 554 P CA 0.945 64.037 63.100 -0.013 0.000 0.788 554 P CB 0.193 31.827 31.700 -0.109 0.000 1.072 555 S N -2.297 113.493 115.700 0.151 0.000 2.596 555 S HA 0.317 4.788 4.470 0.001 0.000 0.270 555 S C 0.718 175.413 174.600 0.159 0.000 1.155 555 S CA -0.770 57.552 58.200 0.203 0.000 0.827 555 S CB 1.375 64.681 63.200 0.178 0.000 1.130 555 S HN -0.216 nan 8.310 nan 0.000 0.467 556 E N 0.590 120.857 120.200 0.112 0.000 2.204 556 E HA -0.169 4.182 4.350 0.001 0.000 0.195 556 E C 0.730 177.379 176.600 0.082 0.000 0.990 556 E CA 1.604 58.048 56.400 0.073 0.000 0.821 556 E CB -0.165 29.558 29.700 0.040 0.000 0.750 556 E HN 0.787 nan 8.360 nan 0.000 0.477 557 D N -0.779 119.678 120.400 0.095 0.000 2.340 557 D HA -0.104 4.537 4.640 0.001 0.000 0.220 557 D C 0.441 176.788 176.300 0.078 0.000 1.039 557 D CA 0.265 54.308 54.000 0.072 0.000 0.866 557 D CB -0.264 40.570 40.800 0.057 0.000 0.913 557 D HN 0.083 nan 8.370 nan 0.000 0.523 558 H N 1.594 120.690 119.070 0.043 0.000 2.620 558 H HA 0.139 4.696 4.556 0.001 0.000 0.313 558 H C -1.496 173.852 175.328 0.034 0.000 1.075 558 H CA -1.389 54.683 56.048 0.039 0.000 1.397 558 H CB 1.981 31.773 29.762 0.051 0.000 1.446 558 H HN -0.106 nan 8.280 nan 0.000 0.493 559 P HA 0.060 nan 4.420 nan 0.000 0.233 559 P C 0.461 177.792 177.300 0.053 0.000 1.167 559 P CA 0.995 64.046 63.100 -0.080 0.000 0.770 559 P CB 0.643 32.247 31.700 -0.159 0.000 0.837 560 G N -1.072 107.892 108.800 0.274 0.000 2.631 560 G HA2 -0.073 3.888 3.960 0.001 0.000 0.504 560 G HA3 -0.073 3.888 3.960 0.001 0.000 0.504 560 G C -1.098 173.910 174.900 0.180 0.000 1.306 560 G CA -0.604 44.645 45.100 0.247 0.000 0.897 560 G HN 0.163 nan 8.290 nan 0.000 0.520 561 T N 0.347 114.928 114.554 0.046 0.000 2.841 561 T HA 0.652 5.003 4.350 0.001 0.000 0.285 561 T C 1.284 175.901 174.700 -0.138 0.000 0.991 561 T CA 0.466 62.555 62.100 -0.019 0.000 0.966 561 T CB 1.575 70.413 68.868 -0.050 0.000 0.962 561 T HN 1.520 nan 8.240 nan 0.000 0.438 562 S N 3.321 118.954 115.700 -0.112 0.000 2.444 562 S HA 0.250 4.720 4.470 0.001 0.000 0.223 562 S C 0.618 175.116 174.600 -0.170 0.000 1.054 562 S CA -0.163 57.951 58.200 -0.144 0.000 0.947 562 S CB -0.242 62.900 63.200 -0.097 0.000 0.850 562 S HN 0.551 nan 8.310 nan 0.000 0.527 563 L N 2.985 124.132 121.223 -0.127 0.000 2.287 563 L HA 0.463 4.804 4.340 0.001 0.000 0.280 563 L C 0.209 176.963 176.870 -0.192 0.000 1.055 563 L CA -0.481 54.273 54.840 -0.143 0.000 0.863 563 L CB 0.653 42.672 42.059 -0.065 0.000 1.245 563 L HN 0.139 nan 8.230 nan 0.000 0.432 564 R N 2.230 122.511 120.500 -0.365 0.000 2.694 564 R HA 0.131 4.472 4.340 0.001 0.000 0.268 564 R C -0.200 175.779 176.300 -0.536 0.000 1.061 564 R CA -0.161 55.605 56.100 -0.558 0.000 1.133 564 R CB 0.275 29.984 30.300 -0.984 0.000 1.020 564 R HN 0.444 nan 8.270 nan 0.000 0.475 565 Y N -2.511 117.693 120.300 -0.160 0.000 4.907 565 Y HA -0.218 4.333 4.550 0.001 0.000 0.246 565 Y C -0.500 175.326 175.900 -0.122 0.000 0.968 565 Y CA -0.180 57.737 58.100 -0.304 0.000 1.961 565 Y CB -2.204 35.885 38.460 -0.617 0.000 1.487 565 Y HN 0.235 nan 8.280 nan 0.000 0.575 566 V N 1.189 121.173 119.914 0.117 0.000 2.409 566 V HA 0.350 4.470 4.120 0.001 0.000 0.291 566 V C 0.677 176.876 176.094 0.176 0.000 1.020 566 V CA -1.331 61.099 62.300 0.218 0.000 0.848 566 V CB 1.854 33.782 31.823 0.175 0.000 0.990 566 V HN 0.212 nan 8.190 nan 0.000 0.430 567 R N 3.059 123.668 120.500 0.181 0.000 2.484 567 R HA 0.393 4.734 4.340 0.001 0.000 0.293 567 R C 1.276 177.633 176.300 0.096 0.000 1.023 567 R CA 1.321 57.504 56.100 0.138 0.000 1.037 567 R CB 0.173 30.551 30.300 0.130 0.000 0.951 567 R HN 1.150 nan 8.270 nan 0.000 0.418 568 G N 2.751 111.603 108.800 0.086 0.000 2.217 568 G HA2 -0.241 3.719 3.960 0.001 0.000 0.246 568 G HA3 -0.241 3.719 3.960 0.001 0.000 0.246 568 G C 0.643 175.579 174.900 0.060 0.000 0.990 568 G CA 0.259 45.397 45.100 0.063 0.000 0.627 568 G HN 0.594 nan 8.290 nan 0.000 0.522 569 Q N -0.224 119.618 119.800 0.070 0.000 2.511 569 Q HA 0.197 4.538 4.340 0.001 0.000 0.236 569 Q C 0.154 176.198 176.000 0.073 0.000 0.893 569 Q CA 0.718 56.553 55.803 0.054 0.000 0.947 569 Q CB 0.355 29.112 28.738 0.033 0.000 1.110 569 Q HN 0.503 nan 8.270 nan 0.000 0.591 570 D N 2.363 122.811 120.400 0.080 0.000 2.329 570 D HA 0.144 4.785 4.640 0.001 0.000 0.232 570 D C -1.730 174.622 176.300 0.087 0.000 1.088 570 D CA -2.136 51.909 54.000 0.076 0.000 0.835 570 D CB 1.831 42.679 40.800 0.081 0.000 1.078 570 D HN -0.117 nan 8.370 nan 0.000 0.495 571 P HA -0.048 nan 4.420 nan 0.000 0.226 571 P C 1.058 178.334 177.300 -0.039 0.000 1.153 571 P CA 0.324 63.438 63.100 0.023 0.000 0.777 571 P CB 0.147 31.806 31.700 -0.069 0.000 0.794 572 C N -0.443 118.803 119.300 -0.089 0.000 2.472 572 C HA 0.071 4.531 4.460 0.001 0.000 0.278 572 C C 1.292 176.137 174.990 -0.240 0.000 1.447 572 C CA 0.040 58.884 59.018 -0.289 0.000 1.773 572 C CB -1.114 26.275 27.740 -0.585 0.000 1.793 572 C HN 0.037 nan 8.230 nan 0.000 0.544 573 V N 2.980 122.922 119.914 0.047 0.000 2.385 573 V HA 0.233 4.353 4.120 0.001 0.000 0.269 573 V C -2.151 174.022 176.094 0.131 0.000 1.043 573 V CA -1.421 61.006 62.300 0.213 0.000 0.906 573 V CB 0.374 32.361 31.823 0.273 0.000 0.995 573 V HN 0.155 nan 8.190 nan 0.000 0.467 574 P HA 0.050 nan 4.420 nan 0.000 0.265 574 P C 0.833 178.195 177.300 0.104 0.000 1.187 574 P CA 0.176 63.334 63.100 0.097 0.000 0.766 574 P CB 0.749 32.511 31.700 0.103 0.000 0.820 575 A N 3.516 126.380 122.820 0.074 0.000 1.986 575 A HA -0.198 4.123 4.320 0.001 0.000 0.220 575 A C 1.326 178.946 177.584 0.060 0.000 1.171 575 A CA 2.083 54.159 52.037 0.064 0.000 0.640 575 A CB -0.891 18.136 19.000 0.045 0.000 0.811 575 A HN 0.663 nan 8.150 nan 0.000 0.451 576 D N -2.087 118.347 120.400 0.056 0.000 2.424 576 D HA 0.085 4.726 4.640 0.001 0.000 0.220 576 D C 0.276 176.594 176.300 0.030 0.000 1.150 576 D CA -0.533 53.486 54.000 0.032 0.000 0.831 576 D CB -1.116 39.692 40.800 0.013 0.000 0.981 576 D HN 0.478 nan 8.370 nan 0.000 0.500 577 H N 1.877 120.917 119.070 -0.050 0.000 3.064 577 H HA 0.069 4.626 4.556 0.001 0.000 0.329 577 H C -1.410 173.857 175.328 -0.101 0.000 1.020 577 H CA -0.599 55.380 56.048 -0.115 0.000 1.402 577 H CB 1.113 30.791 29.762 -0.141 0.000 1.379 577 H HN -0.169 nan 8.280 nan 0.000 0.594 578 P HA -0.070 nan 4.420 nan 0.000 0.220 578 P C -0.514 176.619 177.300 -0.278 0.000 1.148 578 P CA 1.221 64.108 63.100 -0.355 0.000 0.803 578 P CB 0.421 31.899 31.700 -0.370 0.000 0.782 579 D N -1.543 118.656 120.400 -0.335 0.000 2.269 579 D HA 0.111 4.751 4.640 0.001 0.000 0.244 579 D C 1.263 177.619 176.300 0.093 0.000 0.992 579 D CA -0.504 53.476 54.000 -0.033 0.000 0.894 579 D CB 1.330 42.210 40.800 0.133 0.000 1.248 579 D HN 0.043 nan 8.370 nan 0.000 0.468 580 R N 0.392 120.859 120.500 -0.055 0.000 2.115 580 R HA -0.048 4.293 4.340 0.001 0.000 0.230 580 R C -0.173 175.963 176.300 -0.274 0.000 1.111 580 R CA 0.943 56.878 56.100 -0.276 0.000 0.976 580 R CB -0.141 29.814 30.300 -0.577 0.000 0.870 580 R HN 0.178 nan 8.270 nan 0.000 0.445 581 F N -0.532 119.434 119.950 0.026 0.000 2.579 581 F HA 0.550 5.078 4.527 0.001 0.000 0.324 581 F C -0.705 175.119 175.800 0.040 0.000 1.058 581 F CA -2.133 55.746 58.000 -0.202 0.000 0.944 581 F CB 1.510 40.092 39.000 -0.698 0.000 1.245 581 F HN -0.172 nan 8.300 nan 0.000 0.477 582 F N 2.720 122.563 119.950 -0.178 0.000 3.287 582 F HA 0.413 4.940 4.527 0.001 0.000 0.379 582 F C -1.780 173.792 175.800 -0.381 0.000 1.268 582 F CA -2.084 55.841 58.000 -0.124 0.000 1.220 582 F CB 0.356 39.220 39.000 -0.227 0.000 1.687 582 F HN 0.263 nan 8.300 nan 0.000 0.648 583 F N 7.056 126.984 119.950 -0.038 0.000 2.652 583 F HA 0.142 4.670 4.527 0.001 0.000 0.352 583 F C 0.933 176.383 175.800 -0.583 0.000 1.259 583 F CA -0.467 57.199 58.000 -0.557 0.000 1.249 583 F CB -0.534 38.279 39.000 -0.313 0.000 1.628 583 F HN 0.445 nan 8.300 nan 0.000 0.654 584 Y N -1.182 118.720 120.300 -0.663 0.000 2.639 584 Y HA 0.155 4.706 4.550 0.001 0.000 0.297 584 Y C 1.796 177.525 175.900 -0.284 0.000 1.151 584 Y CA 0.077 57.657 58.100 -0.867 0.000 1.335 584 Y CB -1.179 36.551 38.460 -1.217 0.000 0.994 584 Y HN 0.370 nan 8.280 nan 0.000 0.548 585 G N 0.471 109.220 108.800 -0.085 0.000 2.744 585 G HA2 -0.010 3.951 3.960 0.001 0.000 0.211 585 G HA3 -0.010 3.951 3.960 0.001 0.000 0.211 585 G C 0.623 175.562 174.900 0.066 0.000 1.143 585 G CA -0.123 45.020 45.100 0.072 0.000 0.788 585 G HN 0.074 nan 8.290 nan 0.000 0.534 586 K N 0.087 120.505 120.400 0.031 0.000 2.207 586 K HA 0.302 4.622 4.320 0.001 0.000 0.255 586 K C -1.856 174.804 176.600 0.100 0.000 0.941 586 K CA -2.169 54.155 56.287 0.061 0.000 0.825 586 K CB 2.455 34.971 32.500 0.028 0.000 1.119 586 K HN -0.193 nan 8.250 nan 0.000 0.430 587 P HA -0.137 nan 4.420 nan 0.000 0.222 587 P C 0.226 177.622 177.300 0.160 0.000 1.147 587 P CA 1.235 64.409 63.100 0.124 0.000 0.790 587 P CB 0.227 31.983 31.700 0.094 0.000 0.780 588 D N -2.042 118.448 120.400 0.150 0.000 2.424 588 D HA 0.182 4.823 4.640 0.001 0.000 0.220 588 D C 1.290 177.751 176.300 0.268 0.000 1.150 588 D CA -0.092 54.012 54.000 0.173 0.000 0.831 588 D CB -0.819 40.041 40.800 0.099 0.000 0.981 588 D HN 0.169 nan 8.370 nan 0.000 0.500 589 G N 0.748 109.759 108.800 0.352 0.000 2.166 589 G HA2 -0.346 3.615 3.960 0.001 0.000 0.260 589 G HA3 -0.346 3.615 3.960 0.001 0.000 0.260 589 G C 0.157 175.329 174.900 0.453 0.000 0.986 589 G CA 0.071 45.481 45.100 0.517 0.000 0.683 589 G HN 0.474 nan 8.290 nan 0.000 0.527 590 R N 0.059 120.716 120.500 0.261 0.000 2.589 590 R HA 0.712 5.052 4.340 0.001 0.000 0.293 590 R C 0.563 176.827 176.300 -0.059 0.000 0.963 590 R CA -0.065 56.140 56.100 0.175 0.000 0.905 590 R CB 1.557 31.881 30.300 0.039 0.000 1.144 590 R HN 0.401 nan 8.270 nan 0.000 0.459 591 A N 2.129 124.743 122.820 -0.344 0.000 2.313 591 A HA 0.495 4.816 4.320 0.001 0.000 0.261 591 A C -0.345 176.897 177.584 -0.570 0.000 1.090 591 A CA -0.425 51.199 52.037 -0.688 0.000 0.807 591 A CB 0.799 19.030 19.000 -1.281 0.000 1.055 591 A HN 0.421 nan 8.150 nan 0.000 0.492 592 V N 1.701 121.238 119.914 -0.628 0.000 2.487 592 V HA 0.320 4.441 4.120 0.001 0.000 0.298 592 V C -0.246 175.440 176.094 -0.681 0.000 1.028 592 V CA -0.209 61.684 62.300 -0.677 0.000 0.860 592 V CB 1.409 32.793 31.823 -0.732 0.000 0.991 592 V HN 0.711 nan 8.190 nan 0.000 0.427 593 I N 3.875 123.975 120.570 -0.783 0.000 2.371 593 I HA 0.293 4.464 4.170 0.001 0.000 0.290 593 I C -0.854 174.870 176.117 -0.655 0.000 1.028 593 I CA 0.050 60.961 61.300 -0.650 0.000 1.345 593 I CB 1.004 38.467 38.000 -0.895 0.000 1.407 593 I HN 0.604 nan 8.210 nan 0.000 0.501 594 W N 6.834 127.938 121.300 -0.327 0.000 2.417 594 W HA 0.450 5.110 4.660 0.001 0.000 0.315 594 W C -0.115 176.209 176.519 -0.326 0.000 1.045 594 W CA -0.637 56.522 57.345 -0.310 0.000 1.221 594 W CB 1.201 30.486 29.460 -0.292 0.000 1.309 594 W HN 0.268 nan 8.180 nan 0.000 0.453 595 M N 5.200 124.648 119.600 -0.252 0.000 3.422 595 M HA 0.218 4.699 4.480 0.001 0.000 0.248 595 M C 0.068 176.041 176.300 -0.546 0.000 1.433 595 M CA -0.122 54.734 55.300 -0.740 0.000 1.592 595 M CB -0.391 31.449 32.600 -1.266 0.000 1.078 595 M HN 0.102 nan 8.290 nan 0.000 0.578 596 R N 1.635 122.045 120.500 -0.150 0.000 2.389 596 R HA 0.374 4.714 4.340 0.001 0.000 0.295 596 R C -2.601 173.864 176.300 0.275 0.000 1.075 596 R CA -2.069 53.924 56.100 -0.178 0.000 1.005 596 R CB -0.279 29.735 30.300 -0.477 0.000 0.987 596 R HN 0.176 nan 8.270 nan 0.000 0.452 597 P HA 0.150 nan 4.420 nan 0.000 0.279 597 P C -0.786 176.738 177.300 0.374 0.000 1.239 597 P CA -0.389 62.976 63.100 0.442 0.000 0.789 597 P CB 0.891 32.793 31.700 0.337 0.000 0.933 598 A N 3.689 126.752 122.820 0.406 0.000 2.362 598 A HA 0.344 4.664 4.320 0.001 0.000 0.276 598 A C 0.468 178.181 177.584 0.215 0.000 1.153 598 A CA 0.247 52.449 52.037 0.276 0.000 0.813 598 A CB -0.106 19.078 19.000 0.306 0.000 1.081 598 A HN 0.508 nan 8.150 nan 0.000 0.507 599 K N 1.350 121.839 120.400 0.147 0.000 3.224 599 K HA 0.731 5.052 4.320 0.001 0.000 0.302 599 K C 0.625 177.267 176.600 0.070 0.000 0.977 599 K CA -0.029 56.321 56.287 0.106 0.000 1.343 599 K CB 0.932 33.492 32.500 0.100 0.000 3.431 599 K HN 0.839 nan 8.250 nan 0.000 1.096 600 G N -0.189 108.643 108.800 0.053 0.000 2.650 600 G HA2 0.558 4.519 3.960 0.001 0.000 0.310 600 G HA3 0.558 4.519 3.960 0.001 0.000 0.310 600 G C -1.722 173.201 174.900 0.039 0.000 1.270 600 G CA -0.342 44.788 45.100 0.050 0.000 0.810 600 G HN 0.505 nan 8.290 nan 0.000 0.493 601 A N -0.672 122.188 122.820 0.067 0.000 2.346 601 A HA 0.651 4.972 4.320 0.001 0.000 0.252 601 A C 1.792 179.394 177.584 0.030 0.000 1.089 601 A CA 0.998 53.067 52.037 0.054 0.000 0.797 601 A CB 0.488 19.555 19.000 0.112 0.000 1.047 601 A HN 2.000 nan 8.150 nan 0.000 0.494 602 A N -0.164 122.658 122.820 0.004 0.000 1.933 602 A HA -0.000 4.321 4.320 0.001 0.000 0.218 602 A C 1.070 178.647 177.584 -0.013 0.000 1.175 602 A CA 1.747 53.776 52.037 -0.014 0.000 0.628 602 A CB -0.216 18.763 19.000 -0.036 0.000 0.814 602 A HN 0.822 nan 8.150 nan 0.000 0.444 603 E N 0.971 121.167 120.200 -0.006 0.000 2.346 603 E HA 0.223 4.574 4.350 0.001 0.000 0.239 603 E C -0.995 175.604 176.600 -0.003 0.000 0.943 603 E CA -0.459 55.926 56.400 -0.025 0.000 0.751 603 E CB 0.410 30.071 29.700 -0.065 0.000 1.241 603 E HN 0.349 nan 8.360 nan 0.000 0.423 604 E N 3.183 123.382 120.200 -0.001 0.000 2.349 604 E HA 0.248 4.599 4.350 0.001 0.000 0.265 604 E C -2.241 174.293 176.600 -0.109 0.000 1.064 604 E CA -1.984 54.405 56.400 -0.019 0.000 0.886 604 E CB 0.788 30.499 29.700 0.017 0.000 1.036 604 E HN 0.422 nan 8.360 nan 0.000 0.413 605 P HA -0.047 nan 4.420 nan 0.000 0.266 605 P C -0.657 176.580 177.300 -0.104 0.000 1.193 605 P CA 0.464 63.428 63.100 -0.227 0.000 0.770 605 P CB 0.523 31.955 31.700 -0.446 0.000 0.836 606 D N 0.192 120.569 120.400 -0.038 0.000 2.812 606 D HA 0.366 5.007 4.640 0.001 0.000 0.318 606 D C 0.797 177.084 176.300 -0.021 0.000 1.234 606 D CA -0.672 53.316 54.000 -0.018 0.000 0.989 606 D CB -0.064 40.741 40.800 0.008 0.000 1.442 606 D HN 0.164 nan 8.370 nan 0.000 0.537 607 A N -0.200 122.604 122.820 -0.026 0.000 1.927 607 A HA -0.258 4.063 4.320 0.001 0.000 0.220 607 A C 1.895 179.430 177.584 -0.082 0.000 1.185 607 A CA 2.309 54.319 52.037 -0.045 0.000 0.639 607 A CB -0.946 18.030 19.000 -0.040 0.000 0.820 607 A HN 0.680 nan 8.150 nan 0.000 0.451 608 E N -2.112 118.032 120.200 -0.095 0.000 2.076 608 E HA -0.082 4.269 4.350 0.001 0.000 0.190 608 E C -0.497 175.826 176.600 -0.461 0.000 0.979 608 E CA 0.527 56.772 56.400 -0.257 0.000 0.807 608 E CB 0.079 29.654 29.700 -0.209 0.000 0.761 608 E HN 0.703 nan 8.360 nan 0.000 0.454 609 Y N -0.064 120.194 120.300 -0.070 0.000 2.787 609 Y HA 0.246 4.797 4.550 0.001 0.000 0.352 609 Y C -1.982 173.853 175.900 -0.108 0.000 1.027 609 Y CA -2.013 56.037 58.100 -0.084 0.000 1.219 609 Y CB 1.569 39.975 38.460 -0.090 0.000 1.110 609 Y HN 0.102 nan 8.280 nan 0.000 0.614 610 P HA 0.007 nan 4.420 nan 0.000 0.245 610 P C -0.108 177.139 177.300 -0.088 0.000 1.206 610 P CA 0.751 63.818 63.100 -0.055 0.000 0.781 610 P CB 0.830 32.502 31.700 -0.046 0.000 0.994 611 L N -0.760 120.429 121.223 -0.057 0.000 2.344 611 L HA 0.362 4.703 4.340 0.001 0.000 0.272 611 L C 0.356 177.162 176.870 -0.108 0.000 1.035 611 L CA -1.334 53.478 54.840 -0.047 0.000 0.807 611 L CB 0.609 42.685 42.059 0.029 0.000 1.237 611 L HN -0.165 nan 8.230 nan 0.000 0.442 612 Y N 1.970 122.301 120.300 0.052 0.000 2.319 612 Y HA 0.329 4.880 4.550 0.001 0.000 0.328 612 Y C -0.033 175.902 175.900 0.059 0.000 1.133 612 Y CA -0.244 57.889 58.100 0.056 0.000 1.265 612 Y CB 1.214 39.715 38.460 0.070 0.000 1.218 612 Y HN 0.282 nan 8.280 nan 0.000 0.508 613 L N 3.277 124.630 121.223 0.217 0.000 2.333 613 L HA 0.572 4.913 4.340 0.001 0.000 0.280 613 L C -0.312 176.751 176.870 0.321 0.000 1.004 613 L CA -0.062 54.879 54.840 0.168 0.000 0.820 613 L CB 1.753 43.786 42.059 -0.043 0.000 1.247 613 L HN 0.663 nan 8.230 nan 0.000 0.416 614 T N 2.320 117.064 114.554 0.317 0.000 2.910 614 T HA 0.866 5.216 4.350 0.001 0.000 0.287 614 T C -0.900 173.993 174.700 0.323 0.000 1.050 614 T CA -0.101 62.187 62.100 0.313 0.000 1.011 614 T CB 1.211 70.183 68.868 0.172 0.000 1.195 614 T HN 0.835 nan 8.240 nan 0.000 0.540 615 S N 1.511 117.271 115.700 0.100 0.000 2.548 615 S HA 0.853 5.323 4.470 0.001 0.000 0.286 615 S C -0.912 173.712 174.600 0.040 0.000 1.098 615 S CA -0.928 57.285 58.200 0.023 0.000 0.930 615 S CB 1.572 64.565 63.200 -0.345 0.000 1.070 615 S HN 0.832 nan 8.310 nan 0.000 0.480 616 M N -0.048 119.637 119.600 0.141 0.000 2.924 616 M HA 0.681 5.162 4.480 0.001 0.000 0.271 616 M C -0.840 175.569 176.300 0.181 0.000 1.280 616 M CA -0.779 54.610 55.300 0.148 0.000 0.813 616 M CB 0.672 33.337 32.600 0.109 0.000 1.658 616 M HN 0.569 nan 8.290 nan 0.000 0.467 617 R N -0.248 120.316 120.500 0.106 0.000 2.607 617 R HA 0.958 5.298 4.340 0.001 0.000 0.261 617 R C -1.303 175.001 176.300 0.007 0.000 1.051 617 R CA -1.040 55.065 56.100 0.009 0.000 1.110 617 R CB 1.918 32.200 30.300 -0.031 0.000 1.158 617 R HN 0.538 nan 8.270 nan 0.000 0.543 618 V N 1.737 121.619 119.914 -0.053 0.000 2.888 618 V HA 0.170 4.291 4.120 0.001 0.000 0.309 618 V C 0.750 176.736 176.094 -0.179 0.000 1.114 618 V CA -0.598 61.663 62.300 -0.066 0.000 0.940 618 V CB 2.084 33.915 31.823 0.013 0.000 1.021 618 V HN 0.786 nan 8.190 nan 0.000 0.426 619 I N 1.820 122.273 120.570 -0.196 0.000 2.286 619 I HA -0.148 4.023 4.170 0.001 0.000 0.248 619 I C 1.650 177.594 176.117 -0.288 0.000 1.115 619 I CA 1.675 62.846 61.300 -0.215 0.000 1.392 619 I CB 0.262 38.153 38.000 -0.181 0.000 1.065 619 I HN 0.796 nan 8.210 nan 0.000 0.418 620 D N -0.588 119.560 120.400 -0.420 0.000 2.277 620 D HA -0.023 4.617 4.640 0.001 0.000 0.208 620 D C 0.331 176.282 176.300 -0.582 0.000 0.962 620 D CA 0.876 54.550 54.000 -0.543 0.000 0.865 620 D CB 0.005 40.375 40.800 -0.716 0.000 0.939 620 D HN 0.388 nan 8.370 nan 0.000 0.510 621 H N -0.725 118.137 119.070 -0.346 0.000 2.466 621 H HA 0.124 4.681 4.556 0.001 0.000 0.338 621 H C -0.436 174.728 175.328 -0.273 0.000 1.091 621 H CA -0.637 55.207 56.048 -0.341 0.000 1.207 621 H CB 1.189 30.638 29.762 -0.521 0.000 1.466 621 H HN 0.110 nan 8.280 nan 0.000 0.493 622 W N 5.788 126.909 121.300 -0.298 0.000 2.335 622 W HA 0.112 4.773 4.660 0.001 0.000 0.307 622 W C -0.060 176.329 176.519 -0.216 0.000 1.117 622 W CA -0.205 56.917 57.345 -0.372 0.000 1.228 622 W CB 0.311 29.506 29.460 -0.442 0.000 1.240 622 W HN 0.791 nan 8.180 nan 0.000 0.468 623 H N 1.345 119.913 119.070 -0.837 0.000 1.452 623 H HA -0.355 4.202 4.556 0.001 0.000 0.090 623 H C 1.942 176.976 175.328 -0.490 0.000 1.093 623 H CA 3.429 59.047 56.048 -0.717 0.000 1.901 623 H CB -1.676 27.677 29.762 -0.682 0.000 2.257 623 H HN 0.477 nan 8.280 nan 0.000 0.961 624 T N -0.774 113.659 114.554 -0.201 0.000 3.129 624 T HA 0.486 4.837 4.350 0.001 0.000 0.251 624 T C 1.240 175.854 174.700 -0.143 0.000 1.117 624 T CA 1.660 63.517 62.100 -0.405 0.000 1.034 624 T CB -0.210 68.294 68.868 -0.606 0.000 0.968 624 T HN 1.270 nan 8.240 nan 0.000 0.526 625 A N 0.828 123.621 122.820 -0.045 0.000 2.887 625 A HA -0.215 4.105 4.320 0.001 0.000 0.257 625 A C 1.726 179.285 177.584 -0.041 0.000 1.372 625 A CA 1.541 53.568 52.037 -0.017 0.000 0.879 625 A CB -2.879 16.093 19.000 -0.045 0.000 1.082 625 A HN 1.117 nan 8.150 nan 0.000 0.703 626 T N -3.637 110.885 114.554 -0.053 0.000 3.055 626 T HA 0.258 4.609 4.350 0.001 0.000 0.265 626 T C 1.520 175.909 174.700 -0.518 0.000 1.111 626 T CA 1.457 63.458 62.100 -0.166 0.000 1.118 626 T CB -0.170 68.668 68.868 -0.050 0.000 0.909 626 T HN 0.587 nan 8.240 nan 0.000 0.501 627 M N 1.279 120.674 119.600 -0.342 0.000 2.940 627 M HA 0.123 4.604 4.480 0.001 0.000 0.248 627 M C 2.720 178.924 176.300 -0.159 0.000 1.379 627 M CA 1.324 56.366 55.300 -0.429 0.000 1.262 627 M CB -0.176 32.336 32.600 -0.147 0.000 1.201 627 M HN 0.336 nan 8.290 nan 0.000 0.553 628 T N -1.309 113.237 114.554 -0.014 0.000 3.007 628 T HA -0.021 4.330 4.350 0.001 0.000 0.270 628 T C 1.769 176.463 174.700 -0.010 0.000 1.107 628 T CA 1.207 63.298 62.100 -0.014 0.000 1.118 628 T CB -1.010 67.827 68.868 -0.052 0.000 0.889 628 T HN 0.504 nan 8.240 nan 0.000 0.506 629 G N 1.717 110.497 108.800 -0.033 0.000 2.471 629 G HA2 -0.100 3.861 3.960 0.001 0.000 0.219 629 G HA3 -0.100 3.861 3.960 0.001 0.000 0.219 629 G C 1.560 176.441 174.900 -0.030 0.000 1.125 629 G CA 0.117 45.204 45.100 -0.021 0.000 0.775 629 G HN 0.412 nan 8.290 nan 0.000 0.548 630 K N 0.301 120.661 120.400 -0.067 0.000 2.487 630 K HA 0.148 4.469 4.320 0.001 0.000 0.192 630 K C 0.084 176.678 176.600 -0.010 0.000 1.027 630 K CA 0.027 56.289 56.287 -0.042 0.000 1.054 630 K CB 0.634 33.091 32.500 -0.070 0.000 0.824 630 K HN 0.215 nan 8.250 nan 0.000 0.510 631 V N 2.969 122.878 119.914 -0.009 0.000 2.313 631 V HA 0.135 4.255 4.120 0.001 0.000 0.278 631 V C -1.816 174.275 176.094 -0.004 0.000 1.017 631 V CA -1.519 60.780 62.300 -0.002 0.000 0.823 631 V CB 1.561 33.381 31.823 -0.006 0.000 1.010 631 V HN -0.087 nan 8.190 nan 0.000 0.443 632 P HA -0.140 nan 4.420 nan 0.000 0.216 632 P C 1.599 178.892 177.300 -0.011 0.000 1.150 632 P CA 0.935 64.036 63.100 0.002 0.000 0.837 632 P CB 0.439 32.142 31.700 0.005 0.000 0.786 633 E N -0.341 119.847 120.200 -0.020 0.000 2.153 633 E HA -0.116 4.235 4.350 0.001 0.000 0.194 633 E C 1.704 178.263 176.600 -0.068 0.000 0.988 633 E CA 0.893 57.271 56.400 -0.036 0.000 0.811 633 E CB -0.489 29.192 29.700 -0.032 0.000 0.746 633 E HN 0.296 nan 8.360 nan 0.000 0.466 634 L N 0.707 121.883 121.223 -0.079 0.000 2.610 634 L HA -0.085 4.256 4.340 0.001 0.000 0.232 634 L C 1.502 178.281 176.870 -0.151 0.000 1.149 634 L CA 0.320 55.070 54.840 -0.150 0.000 0.872 634 L CB 0.028 41.992 42.059 -0.158 0.000 0.992 634 L HN -0.092 nan 8.230 nan 0.000 0.447 635 Q N -0.559 119.213 119.800 -0.047 0.000 2.282 635 Q HA 0.072 4.413 4.340 0.001 0.000 0.206 635 Q C 1.394 177.395 176.000 0.002 0.000 0.878 635 Q CA 0.289 56.108 55.803 0.026 0.000 0.944 635 Q CB 0.471 29.244 28.738 0.058 0.000 1.100 635 Q HN 0.392 nan 8.270 nan 0.000 0.509 636 K N -0.061 120.313 120.400 -0.043 0.000 2.361 636 K HA 0.184 4.505 4.320 0.001 0.000 0.196 636 K C 1.564 178.138 176.600 -0.043 0.000 1.039 636 K CA 0.757 57.023 56.287 -0.034 0.000 1.001 636 K CB 0.452 32.928 32.500 -0.041 0.000 0.795 636 K HN 0.087 nan 8.250 nan 0.000 0.495 637 A N 1.264 124.039 122.820 -0.075 0.000 1.909 637 A HA 0.091 4.412 4.320 0.001 0.000 0.209 637 A C 0.683 178.234 177.584 -0.054 0.000 1.247 637 A CA 0.447 52.434 52.037 -0.083 0.000 0.660 637 A CB 0.253 19.177 19.000 -0.127 0.000 0.910 637 A HN 0.092 nan 8.150 nan 0.000 0.465 638 N N 0.406 119.085 118.700 -0.034 0.000 2.813 638 N HA 0.208 4.949 4.740 0.001 0.000 0.282 638 N C -2.386 173.292 175.510 0.279 0.000 1.748 638 N CA -1.138 51.979 53.050 0.112 0.000 0.860 638 N CB 1.161 39.723 38.487 0.126 0.000 1.204 638 N HN 0.268 nan 8.380 nan 0.000 0.490 639 P HA -0.083 nan 4.420 nan 0.000 0.221 639 P C 0.449 177.940 177.300 0.318 0.000 1.145 639 P CA 1.091 64.326 63.100 0.226 0.000 0.795 639 P CB 0.585 32.364 31.700 0.133 0.000 0.775 640 I N -6.359 114.459 120.570 0.413 0.000 3.195 640 I HA 0.738 4.909 4.170 0.001 0.000 0.313 640 I C -0.796 175.544 176.117 0.371 0.000 1.237 640 I CA -1.949 59.549 61.300 0.330 0.000 0.963 640 I CB 1.712 39.805 38.000 0.154 0.000 1.278 640 I HN -0.288 nan 8.210 nan 0.000 0.460 641 A N 2.142 124.912 122.820 -0.084 0.000 2.406 641 A HA 0.726 5.046 4.320 0.001 0.000 0.243 641 A C -0.641 176.960 177.584 0.028 0.000 1.082 641 A CA 0.263 52.111 52.037 -0.315 0.000 0.786 641 A CB -0.124 18.585 19.000 -0.485 0.000 1.029 641 A HN 0.867 nan 8.150 nan 0.000 0.495 642 F N -1.535 118.406 119.950 -0.014 0.000 2.711 642 F HA 0.631 5.158 4.527 0.001 0.000 0.313 642 F C -0.876 174.932 175.800 0.013 0.000 1.141 642 F CA -1.298 56.706 58.000 0.007 0.000 0.941 642 F CB 1.357 40.380 39.000 0.037 0.000 1.349 642 F HN 0.480 nan 8.300 nan 0.000 0.464 643 V N 1.428 121.452 119.914 0.183 0.000 2.417 643 V HA 0.438 4.559 4.120 0.001 0.000 0.291 643 V C -0.600 175.636 176.094 0.237 0.000 1.024 643 V CA -0.311 62.070 62.300 0.134 0.000 0.861 643 V CB 1.558 33.416 31.823 0.059 0.000 0.985 643 V HN 0.835 nan 8.190 nan 0.000 0.436 644 E N 6.922 127.282 120.200 0.266 0.000 2.316 644 E HA 0.450 4.801 4.350 0.001 0.000 0.275 644 E C -0.778 175.913 176.600 0.153 0.000 1.029 644 E CA 0.035 56.574 56.400 0.232 0.000 0.871 644 E CB 1.289 31.134 29.700 0.242 0.000 1.022 644 E HN 0.605 nan 8.360 nan 0.000 0.418 645 I N 2.289 122.937 120.570 0.131 0.000 2.608 645 I HA 0.185 4.356 4.170 0.001 0.000 0.295 645 I C -0.172 176.006 176.117 0.101 0.000 1.049 645 I CA -1.158 60.205 61.300 0.105 0.000 1.063 645 I CB 1.981 40.032 38.000 0.085 0.000 1.248 645 I HN 0.432 nan 8.210 nan 0.000 0.424 646 N N 3.748 122.502 118.700 0.091 0.000 2.513 646 N HA -0.016 4.725 4.740 0.001 0.000 0.268 646 N C 1.052 176.604 175.510 0.071 0.000 1.180 646 N CA 0.205 53.303 53.050 0.081 0.000 0.948 646 N CB 0.967 39.502 38.487 0.080 0.000 1.083 646 N HN 0.470 nan 8.380 nan 0.000 0.455 647 E N 2.020 122.258 120.200 0.064 0.000 2.065 647 E HA -0.298 4.053 4.350 0.001 0.000 0.201 647 E C 1.005 177.632 176.600 0.046 0.000 1.016 647 E CA 1.437 57.869 56.400 0.053 0.000 0.818 647 E CB -0.089 29.635 29.700 0.040 0.000 0.749 647 E HN 0.861 nan 8.360 nan 0.000 0.453 648 E N 0.069 120.296 120.200 0.044 0.000 2.285 648 E HA -0.146 4.205 4.350 0.001 0.000 0.194 648 E C 1.437 178.060 176.600 0.040 0.000 0.997 648 E CA 0.582 57.005 56.400 0.039 0.000 0.845 648 E CB 0.163 29.886 29.700 0.039 0.000 0.782 648 E HN 0.089 nan 8.360 nan 0.000 0.491 649 D N 0.391 120.819 120.400 0.047 0.000 2.120 649 D HA -0.045 4.596 4.640 0.001 0.000 0.202 649 D C 1.849 178.172 176.300 0.039 0.000 0.972 649 D CA 1.327 55.354 54.000 0.045 0.000 0.837 649 D CB -0.011 40.822 40.800 0.055 0.000 0.989 649 D HN 0.276 nan 8.370 nan 0.000 0.469 650 A N 1.285 124.131 122.820 0.044 0.000 1.858 650 A HA -0.064 4.257 4.320 0.001 0.000 0.216 650 A C 2.353 179.957 177.584 0.034 0.000 1.190 650 A CA 2.411 54.473 52.037 0.042 0.000 0.617 650 A CB -0.898 18.135 19.000 0.055 0.000 0.827 650 A HN 0.241 nan 8.150 nan 0.000 0.443 651 A N -0.296 122.544 122.820 0.034 0.000 1.892 651 A HA -0.255 4.065 4.320 0.001 0.000 0.218 651 A C 2.239 179.836 177.584 0.022 0.000 1.188 651 A CA 2.088 54.141 52.037 0.027 0.000 0.631 651 A CB -0.529 18.486 19.000 0.026 0.000 0.822 651 A HN 0.540 nan 8.150 nan 0.000 0.447 652 R N -1.440 119.073 120.500 0.022 0.000 2.237 652 R HA -0.069 4.271 4.340 0.001 0.000 0.219 652 R C 1.415 177.723 176.300 0.013 0.000 1.080 652 R CA 1.582 57.692 56.100 0.017 0.000 0.995 652 R CB -0.148 30.164 30.300 0.019 0.000 0.875 652 R HN 0.467 nan 8.270 nan 0.000 0.462 653 T N -2.002 112.561 114.554 0.015 0.000 3.145 653 T HA 0.208 4.559 4.350 0.001 0.000 0.281 653 T C 0.456 175.163 174.700 0.010 0.000 1.003 653 T CA 0.514 62.620 62.100 0.010 0.000 0.901 653 T CB 0.489 69.363 68.868 0.009 0.000 1.112 653 T HN 0.421 nan 8.240 nan 0.000 0.535 654 G N 1.978 110.787 108.800 0.014 0.000 2.221 654 G HA2 -0.210 3.750 3.960 0.001 0.000 0.265 654 G HA3 -0.210 3.750 3.960 0.001 0.000 0.265 654 G C -0.077 174.833 174.900 0.016 0.000 1.041 654 G CA 0.386 45.494 45.100 0.014 0.000 0.807 654 G HN 0.626 nan 8.290 nan 0.000 0.502 655 I N 0.430 121.014 120.570 0.022 0.000 2.377 655 I HA 0.491 4.662 4.170 0.001 0.000 0.293 655 I C 0.583 176.723 176.117 0.039 0.000 0.987 655 I CA -0.767 60.548 61.300 0.027 0.000 1.185 655 I CB 1.472 39.488 38.000 0.027 0.000 1.341 655 I HN 0.326 nan 8.210 nan 0.000 0.455 656 K N 4.744 125.169 120.400 0.042 0.000 2.352 656 K HA 0.448 4.768 4.320 0.001 0.000 0.240 656 K C -0.388 176.262 176.600 0.083 0.000 1.017 656 K CA -0.888 55.440 56.287 0.067 0.000 0.851 656 K CB 1.403 33.937 32.500 0.057 0.000 1.261 656 K HN 0.457 nan 8.250 nan 0.000 0.451 657 H N -0.179 118.900 119.070 0.014 0.000 3.046 657 H HA 0.042 4.599 4.556 0.001 0.000 0.303 657 H C 0.765 176.101 175.328 0.012 0.000 1.002 657 H CA 2.528 58.583 56.048 0.013 0.000 1.460 657 H CB 0.450 30.215 29.762 0.004 0.000 1.493 657 H HN 1.004 nan 8.280 nan 0.000 0.559 658 G N 4.648 113.300 108.800 -0.246 0.000 2.238 658 G HA2 -0.241 3.720 3.960 0.001 0.000 0.217 658 G HA3 -0.241 3.720 3.960 0.001 0.000 0.217 658 G C 0.010 174.873 174.900 -0.063 0.000 0.996 658 G CA 0.025 45.042 45.100 -0.139 0.000 0.632 658 G HN 0.609 nan 8.290 nan 0.000 0.503 659 D N 1.237 121.614 120.400 -0.038 0.000 2.488 659 D HA 0.397 5.037 4.640 0.001 0.000 0.238 659 D C 0.680 176.970 176.300 -0.017 0.000 1.138 659 D CA 0.823 54.814 54.000 -0.015 0.000 0.873 659 D CB 1.326 42.125 40.800 -0.002 0.000 1.183 659 D HN 0.209 nan 8.370 nan 0.000 0.458 660 S N 1.266 116.960 115.700 -0.009 0.000 2.488 660 S HA 0.334 4.804 4.470 0.001 0.000 0.278 660 S C -0.180 174.417 174.600 -0.005 0.000 1.259 660 S CA -0.781 57.416 58.200 -0.007 0.000 1.061 660 S CB -0.088 63.109 63.200 -0.005 0.000 0.910 660 S HN 0.283 nan 8.310 nan 0.000 0.491 661 V N 4.342 124.254 119.914 -0.004 0.000 2.815 661 V HA 0.671 4.792 4.120 0.001 0.000 0.314 661 V C -0.476 175.614 176.094 -0.007 0.000 1.064 661 V CA -1.125 61.173 62.300 -0.003 0.000 0.952 661 V CB 1.616 33.442 31.823 0.004 0.000 1.020 661 V HN 0.666 nan 8.190 nan 0.000 0.439 662 I N 3.655 124.220 120.570 -0.009 0.000 2.325 662 I HA 0.365 4.536 4.170 0.001 0.000 0.291 662 I C 0.016 176.126 176.117 -0.012 0.000 1.019 662 I CA -0.349 60.943 61.300 -0.013 0.000 1.302 662 I CB 1.176 39.168 38.000 -0.013 0.000 1.401 662 I HN 0.462 nan 8.210 nan 0.000 0.485 663 V N 6.669 126.571 119.914 -0.020 0.000 2.406 663 V HA 0.337 4.457 4.120 0.001 0.000 0.272 663 V C 0.268 176.344 176.094 -0.030 0.000 1.043 663 V CA -0.514 61.770 62.300 -0.026 0.000 0.915 663 V CB 1.390 33.187 31.823 -0.044 0.000 0.988 663 V HN 0.732 nan 8.190 nan 0.000 0.466 664 E N 2.908 123.108 120.200 0.000 0.000 2.256 664 E HA 0.589 4.939 4.350 0.001 0.000 0.268 664 E C -0.457 176.192 176.600 0.081 0.000 0.877 664 E CA -0.455 55.966 56.400 0.035 0.000 0.757 664 E CB 2.123 31.866 29.700 0.072 0.000 1.183 664 E HN 0.866 nan 8.360 nan 0.000 0.418 665 T N 0.618 115.144 114.554 -0.047 0.000 2.870 665 T HA 0.387 4.738 4.350 0.001 0.000 0.277 665 T C 1.033 175.554 174.700 -0.298 0.000 1.000 665 T CA -0.663 61.278 62.100 -0.265 0.000 0.982 665 T CB 1.195 69.856 68.868 -0.347 0.000 1.249 665 T HN 0.486 nan 8.240 nan 0.000 0.589 666 R N -0.520 119.600 120.500 -0.633 0.000 2.249 666 R HA 0.041 4.382 4.340 0.001 0.000 0.230 666 R C 2.335 178.543 176.300 -0.153 0.000 1.121 666 R CA 1.268 57.168 56.100 -0.334 0.000 0.997 666 R CB -0.116 29.965 30.300 -0.366 0.000 0.867 666 R HN 0.551 nan 8.270 nan 0.000 0.465 667 R N -1.230 119.169 120.500 -0.168 0.000 2.254 667 R HA 0.155 4.495 4.340 0.001 0.000 0.193 667 R C -0.106 176.140 176.300 -0.090 0.000 0.929 667 R CA 0.234 56.261 56.100 -0.121 0.000 1.038 667 R CB 0.615 30.833 30.300 -0.136 0.000 1.009 667 R HN 0.017 nan 8.270 nan 0.000 0.512 668 D N -2.002 118.345 120.400 -0.090 0.000 2.769 668 D HA 0.451 5.092 4.640 0.001 0.000 0.309 668 D C -1.858 174.410 176.300 -0.055 0.000 1.315 668 D CA -0.376 53.585 54.000 -0.065 0.000 0.780 668 D CB 1.609 42.364 40.800 -0.074 0.000 1.312 668 D HN -0.014 nan 8.370 nan 0.000 0.437 669 A N 0.761 123.556 122.820 -0.042 0.000 2.455 669 A HA 0.780 5.100 4.320 0.001 0.000 0.300 669 A C -1.306 176.255 177.584 -0.039 0.000 1.040 669 A CA -0.516 51.501 52.037 -0.033 0.000 0.697 669 A CB 1.592 20.583 19.000 -0.015 0.000 1.265 669 A HN 0.439 nan 8.150 nan 0.000 0.407 670 M N 1.595 121.169 119.600 -0.042 0.000 2.378 670 M HA 0.401 4.882 4.480 0.001 0.000 0.289 670 M C -0.982 175.297 176.300 -0.035 0.000 1.136 670 M CA -0.218 55.056 55.300 -0.043 0.000 0.917 670 M CB 2.052 34.617 32.600 -0.058 0.000 1.669 670 M HN 0.855 nan 8.290 nan 0.000 0.461 671 E N 3.993 124.176 120.200 -0.030 0.000 2.229 671 E HA 0.571 4.922 4.350 0.001 0.000 0.283 671 E C -1.809 174.777 176.600 -0.023 0.000 1.030 671 E CA -0.179 56.208 56.400 -0.022 0.000 0.836 671 E CB 0.855 30.545 29.700 -0.018 0.000 1.068 671 E HN 0.591 nan 8.360 nan 0.000 0.401 672 L N 6.148 127.362 121.223 -0.015 0.000 2.434 672 L HA 0.490 4.831 4.340 0.001 0.000 0.260 672 L C -2.332 174.546 176.870 0.014 0.000 0.983 672 L CA -2.417 52.420 54.840 -0.005 0.000 0.820 672 L CB 2.436 44.484 42.059 -0.017 0.000 1.361 672 L HN 0.533 nan 8.230 nan 0.000 0.410 673 P HA 0.121 nan 4.420 nan 0.000 0.271 673 P C -0.923 176.389 177.300 0.021 0.000 1.216 673 P CA -0.252 62.859 63.100 0.018 0.000 0.771 673 P CB 1.165 32.881 31.700 0.028 0.000 0.864 674 A N 4.335 127.132 122.820 -0.039 0.000 2.362 674 A HA 0.292 4.613 4.320 0.001 0.000 0.276 674 A C 0.482 177.957 177.584 -0.182 0.000 1.153 674 A CA -0.501 51.510 52.037 -0.044 0.000 0.813 674 A CB -0.145 18.839 19.000 -0.027 0.000 1.081 674 A HN 0.573 nan 8.150 nan 0.000 0.507 675 R N 3.461 123.929 120.500 -0.053 0.000 2.505 675 R HA 0.434 4.775 4.340 0.001 0.000 0.284 675 R C -1.448 174.950 176.300 0.163 0.000 1.324 675 R CA -0.285 55.774 56.100 -0.068 0.000 1.432 675 R CB 0.406 30.715 30.300 0.016 0.000 1.107 675 R HN 0.496 nan 8.270 nan 0.000 0.587 676 V N 4.022 124.137 119.914 0.335 0.000 2.427 676 V HA 0.270 4.391 4.120 0.001 0.000 0.268 676 V C 0.272 176.485 176.094 0.199 0.000 1.046 676 V CA 0.232 62.689 62.300 0.261 0.000 0.970 676 V CB 0.624 32.576 31.823 0.214 0.000 1.001 676 V HN 0.925 nan 8.190 nan 0.000 0.476 677 S N 2.773 118.542 115.700 0.115 0.000 2.755 677 S HA 0.309 4.780 4.470 0.001 0.000 0.286 677 S C 0.015 174.648 174.600 0.055 0.000 1.207 677 S CA -0.021 58.214 58.200 0.058 0.000 0.892 677 S CB 1.622 64.844 63.200 0.036 0.000 1.240 677 S HN 0.621 nan 8.310 nan 0.000 0.525 678 D N 0.401 120.824 120.400 0.038 0.000 2.340 678 D HA 0.152 4.792 4.640 0.001 0.000 0.217 678 D C 1.578 177.908 176.300 0.049 0.000 1.081 678 D CA 0.032 54.058 54.000 0.044 0.000 0.842 678 D CB -0.210 40.610 40.800 0.033 0.000 0.934 678 D HN 0.252 nan 8.370 nan 0.000 0.511 679 V N 0.566 120.508 119.914 0.047 0.000 2.261 679 V HA -0.180 3.941 4.120 0.001 0.000 0.246 679 V C 1.409 177.545 176.094 0.070 0.000 1.047 679 V CA 0.898 63.223 62.300 0.042 0.000 1.015 679 V CB -0.414 31.437 31.823 0.047 0.000 0.642 679 V HN 0.373 nan 8.190 nan 0.000 0.446 680 C N 1.931 121.285 119.300 0.089 0.000 2.499 680 C HA 0.409 4.869 4.460 0.001 0.000 0.386 680 C C 1.159 176.206 174.990 0.096 0.000 1.293 680 C CA -1.025 58.053 59.018 0.101 0.000 1.884 680 C CB -0.528 27.280 27.740 0.114 0.000 2.509 680 C HN 0.610 nan 8.230 nan 0.000 0.566 681 R N 3.991 124.550 120.500 0.097 0.000 2.784 681 R HA 0.253 4.594 4.340 0.001 0.000 0.266 681 R C -2.759 173.599 176.300 0.095 0.000 1.044 681 R CA -0.648 55.505 56.100 0.087 0.000 1.151 681 R CB -0.572 29.771 30.300 0.072 0.000 1.037 681 R HN 0.350 nan 8.270 nan 0.000 0.478 682 P HA 0.014 nan 4.420 nan 0.000 0.264 682 P C 0.390 177.763 177.300 0.122 0.000 1.183 682 P CA 1.425 64.579 63.100 0.091 0.000 0.763 682 P CB 0.745 32.490 31.700 0.075 0.000 0.807 683 G N 1.234 110.110 108.800 0.126 0.000 2.176 683 G HA2 -0.216 3.745 3.960 0.001 0.000 0.253 683 G HA3 -0.216 3.745 3.960 0.001 0.000 0.253 683 G C -0.433 174.617 174.900 0.249 0.000 0.979 683 G CA -0.039 45.161 45.100 0.166 0.000 0.641 683 G HN 0.601 nan 8.290 nan 0.000 0.530 684 L N 1.576 122.922 121.223 0.205 0.000 2.365 684 L HA 0.897 5.237 4.340 0.001 0.000 0.273 684 L C 0.084 177.047 176.870 0.154 0.000 1.000 684 L CA -1.424 53.544 54.840 0.213 0.000 0.819 684 L CB 1.449 43.612 42.059 0.174 0.000 1.284 684 L HN 0.464 nan 8.230 nan 0.000 0.418 685 I N 1.532 122.193 120.570 0.151 0.000 3.067 685 I HA 1.028 5.199 4.170 0.001 0.000 0.312 685 I C -0.847 175.354 176.117 0.140 0.000 1.073 685 I CA -0.982 60.393 61.300 0.126 0.000 1.016 685 I CB 2.191 40.247 38.000 0.093 0.000 1.227 685 I HN 0.778 nan 8.210 nan 0.000 0.456 686 A N 2.737 125.638 122.820 0.134 0.000 2.488 686 A HA 0.679 4.999 4.320 0.001 0.000 0.295 686 A C -0.974 176.668 177.584 0.097 0.000 1.045 686 A CA -0.507 51.617 52.037 0.144 0.000 0.703 686 A CB 1.517 20.607 19.000 0.150 0.000 1.271 686 A HN 1.223 nan 8.150 nan 0.000 0.400 687 V N 0.333 120.305 119.914 0.096 0.000 2.628 687 V HA 0.939 5.060 4.120 0.001 0.000 0.306 687 V C -2.831 173.238 176.094 -0.041 0.000 1.045 687 V CA -2.334 59.949 62.300 -0.029 0.000 0.905 687 V CB 1.778 33.611 31.823 0.016 0.000 0.997 687 V HN 0.707 nan 8.190 nan 0.000 0.436 688 P HA 0.423 nan 4.420 nan 0.000 0.278 688 P C -0.337 176.893 177.300 -0.117 0.000 1.258 688 P CA -0.488 62.528 63.100 -0.141 0.000 0.811 688 P CB 1.089 32.664 31.700 -0.208 0.000 1.063 689 F N -1.672 118.184 119.950 -0.157 0.000 2.683 689 F HA 0.344 4.871 4.527 0.001 0.000 0.306 689 F C 1.270 177.047 175.800 -0.040 0.000 1.102 689 F CA -0.729 57.192 58.000 -0.131 0.000 1.244 689 F CB -0.900 38.043 39.000 -0.095 0.000 1.029 689 F HN 0.024 nan 8.300 nan 0.000 0.545 690 F N -0.656 119.103 119.950 -0.320 0.000 2.661 690 F HA 0.202 4.729 4.527 0.001 0.000 0.298 690 F C 0.411 176.123 175.800 -0.146 0.000 1.137 690 F CA -0.301 57.491 58.000 -0.346 0.000 1.454 690 F CB -0.481 38.241 39.000 -0.463 0.000 1.103 690 F HN -0.072 nan 8.300 nan 0.000 0.577 691 D N 3.084 123.186 120.400 -0.497 0.000 2.359 691 D HA 0.190 4.831 4.640 0.001 0.000 0.230 691 D C -1.686 174.547 176.300 -0.112 0.000 1.118 691 D CA -2.792 51.024 54.000 -0.307 0.000 0.844 691 D CB 1.652 42.129 40.800 -0.539 0.000 1.059 691 D HN -0.038 nan 8.370 nan 0.000 0.493 692 P HA -0.045 nan 4.420 nan 0.000 0.229 692 P C 0.609 177.847 177.300 -0.103 0.000 1.160 692 P CA 0.545 63.622 63.100 -0.038 0.000 0.777 692 P CB 0.432 32.200 31.700 0.114 0.000 0.814 693 K N -0.171 120.183 120.400 -0.078 0.000 2.486 693 K HA 0.035 4.356 4.320 0.001 0.000 0.194 693 K C 0.440 176.983 176.600 -0.096 0.000 1.033 693 K CA 0.646 56.890 56.287 -0.070 0.000 1.004 693 K CB 0.127 32.600 32.500 -0.046 0.000 0.798 693 K HN 0.039 nan 8.250 nan 0.000 0.495 694 K N 1.482 121.796 120.400 -0.143 0.000 2.752 694 K HA 0.243 4.563 4.320 0.001 0.000 0.199 694 K C -0.834 175.666 176.600 -0.167 0.000 1.069 694 K CA -0.133 56.068 56.287 -0.144 0.000 1.033 694 K CB 1.066 33.464 32.500 -0.170 0.000 1.229 694 K HN 0.021 nan 8.250 nan 0.000 0.572 695 L N 3.189 124.322 121.223 -0.150 0.000 2.404 695 L HA 0.044 4.384 4.340 0.001 0.000 0.277 695 L C 1.871 178.696 176.870 -0.076 0.000 1.184 695 L CA -0.384 54.353 54.840 -0.172 0.000 1.013 695 L CB -0.007 41.963 42.059 -0.149 0.000 1.318 695 L HN 0.244 nan 8.230 nan 0.000 0.435 696 V N -0.864 119.037 119.914 -0.022 0.000 2.720 696 V HA -0.186 3.935 4.120 0.001 0.000 0.256 696 V C 1.901 178.116 176.094 0.201 0.000 1.082 696 V CA 1.353 63.698 62.300 0.075 0.000 1.101 696 V CB -0.519 31.398 31.823 0.155 0.000 0.693 696 V HN 0.733 nan 8.190 nan 0.000 0.479 697 N N 1.150 119.943 118.700 0.156 0.000 2.513 697 N HA -0.124 4.617 4.740 0.001 0.000 0.187 697 N C 1.673 177.213 175.510 0.050 0.000 1.056 697 N CA 1.396 54.549 53.050 0.171 0.000 0.907 697 N CB -0.299 38.213 38.487 0.042 0.000 0.954 697 N HN 0.637 nan 8.380 nan 0.000 0.445 698 K N 0.305 120.685 120.400 -0.032 0.000 2.147 698 K HA -0.011 4.309 4.320 0.001 0.000 0.205 698 K C 1.869 178.409 176.600 -0.099 0.000 1.049 698 K CA 0.695 56.928 56.287 -0.090 0.000 0.936 698 K CB 0.050 32.500 32.500 -0.084 0.000 0.722 698 K HN 0.168 nan 8.250 nan 0.000 0.446 699 L N -0.383 120.766 121.223 -0.124 0.000 2.131 699 L HA 0.017 4.358 4.340 0.001 0.000 0.206 699 L C 0.699 177.358 176.870 -0.352 0.000 1.087 699 L CA 0.220 54.895 54.840 -0.275 0.000 0.767 699 L CB -0.251 41.567 42.059 -0.400 0.000 0.917 699 L HN -0.045 nan 8.230 nan 0.000 0.441 700 F N 0.360 120.257 119.950 -0.088 0.000 2.450 700 F HA 0.217 4.744 4.527 0.001 0.000 0.339 700 F C 0.378 176.099 175.800 -0.131 0.000 1.146 700 F CA -0.517 57.429 58.000 -0.091 0.000 1.267 700 F CB 0.412 39.384 39.000 -0.046 0.000 1.178 700 F HN -0.202 nan 8.300 nan 0.000 0.585 701 L N 1.685 122.941 121.223 0.055 0.000 2.379 701 L HA 0.313 4.654 4.340 0.001 0.000 0.269 701 L C 0.292 177.103 176.870 -0.098 0.000 1.084 701 L CA -0.256 54.556 54.840 -0.048 0.000 0.802 701 L CB 1.046 43.066 42.059 -0.066 0.000 1.175 701 L HN 0.572 nan 8.230 nan 0.000 0.448 702 D N 2.147 122.472 120.400 -0.124 0.000 2.328 702 D HA 0.216 4.856 4.640 0.001 0.000 0.226 702 D C 0.472 176.688 176.300 -0.141 0.000 1.066 702 D CA 0.356 54.260 54.000 -0.161 0.000 0.861 702 D CB -0.129 40.602 40.800 -0.114 0.000 0.912 702 D HN 0.616 nan 8.370 nan 0.000 0.521 703 A N 1.064 123.813 122.820 -0.119 0.000 2.498 703 A HA 0.451 4.771 4.320 0.001 0.000 0.239 703 A C 0.825 178.334 177.584 -0.125 0.000 1.068 703 A CA -0.060 51.917 52.037 -0.099 0.000 0.766 703 A CB 0.061 19.013 19.000 -0.079 0.000 1.003 703 A HN 0.229 nan 8.150 nan 0.000 0.497 704 T N -0.367 114.120 114.554 -0.113 0.000 2.907 704 T HA 0.446 4.797 4.350 0.001 0.000 0.292 704 T C -0.427 174.186 174.700 -0.145 0.000 1.043 704 T CA -0.744 61.276 62.100 -0.134 0.000 1.003 704 T CB 1.361 70.151 68.868 -0.130 0.000 1.084 704 T HN 0.633 nan 8.240 nan 0.000 0.483 705 D N 2.923 123.226 120.400 -0.162 0.000 2.520 705 D HA 0.029 4.670 4.640 0.001 0.000 0.243 705 D C -1.078 175.096 176.300 -0.209 0.000 1.160 705 D CA -1.303 52.576 54.000 -0.202 0.000 0.877 705 D CB 1.251 41.933 40.800 -0.198 0.000 1.150 705 D HN 0.308 nan 8.370 nan 0.000 0.494 706 P HA -0.094 nan 4.420 nan 0.000 0.230 706 P C 1.285 178.475 177.300 -0.184 0.000 1.158 706 P CA 0.354 63.348 63.100 -0.176 0.000 0.769 706 P CB 0.534 32.150 31.700 -0.141 0.000 0.807 707 V N 0.621 120.411 119.914 -0.205 0.000 2.490 707 V HA -0.079 4.042 4.120 0.001 0.000 0.238 707 V C 2.782 178.766 176.094 -0.183 0.000 1.056 707 V CA 2.017 64.213 62.300 -0.173 0.000 1.075 707 V CB -1.255 30.479 31.823 -0.148 0.000 0.746 707 V HN 0.224 nan 8.190 nan 0.000 0.479 708 S N -0.513 115.090 115.700 -0.162 0.000 2.461 708 S HA -0.117 4.354 4.470 0.001 0.000 0.228 708 S C 1.242 175.746 174.600 -0.160 0.000 1.005 708 S CA 0.238 58.368 58.200 -0.117 0.000 0.942 708 S CB -0.150 63.021 63.200 -0.049 0.000 0.776 708 S HN 0.441 nan 8.310 nan 0.000 0.514 709 R N 0.795 121.159 120.500 -0.227 0.000 3.770 709 R HA -0.139 4.201 4.340 0.001 0.000 0.305 709 R C -0.263 175.956 176.300 -0.134 0.000 1.184 709 R CA 1.052 56.982 56.100 -0.284 0.000 0.823 709 R CB -2.606 27.307 30.300 -0.644 0.000 1.285 709 R HN 0.863 nan 8.270 nan 0.000 0.499 710 E N 1.718 121.863 120.200 -0.091 0.000 2.316 710 E HA 0.221 4.572 4.350 0.001 0.000 0.275 710 E C -2.213 174.318 176.600 -0.115 0.000 1.029 710 E CA -1.866 54.504 56.400 -0.049 0.000 0.871 710 E CB 0.810 30.506 29.700 -0.006 0.000 1.022 710 E HN -0.057 nan 8.360 nan 0.000 0.418 711 P HA 0.037 nan 4.420 nan 0.000 0.275 711 P C -1.068 176.032 177.300 -0.333 0.000 1.227 711 P CA -0.049 62.835 63.100 -0.360 0.000 0.781 711 P CB 0.593 31.864 31.700 -0.716 0.000 0.906 712 E N 1.742 121.787 120.200 -0.258 0.000 2.222 712 E HA 0.002 4.352 4.350 0.001 0.000 0.312 712 E C -0.044 176.475 176.600 -0.135 0.000 1.263 712 E CA 0.053 56.369 56.400 -0.141 0.000 1.356 712 E CB -0.768 28.886 29.700 -0.076 0.000 1.180 712 E HN 0.439 nan 8.360 nan 0.000 0.494 713 Y N 0.726 120.922 120.300 -0.173 0.000 2.497 713 Y HA -0.122 4.429 4.550 0.001 0.000 0.292 713 Y C 1.935 177.619 175.900 -0.359 0.000 1.137 713 Y CA 0.430 58.303 58.100 -0.377 0.000 1.285 713 Y CB 0.276 38.437 38.460 -0.497 0.000 0.991 713 Y HN 0.198 nan 8.280 nan 0.000 0.556 714 K N 0.241 120.647 120.400 0.011 0.000 2.365 714 K HA 0.178 4.499 4.320 0.001 0.000 0.197 714 K C 0.072 176.751 176.600 0.131 0.000 1.042 714 K CA 0.715 57.024 56.287 0.037 0.000 0.987 714 K CB 0.366 32.887 32.500 0.036 0.000 0.779 714 K HN 0.280 nan 8.250 nan 0.000 0.484 715 I N 0.600 121.269 120.570 0.165 0.000 2.548 715 I HA 0.208 4.378 4.170 0.001 0.000 0.287 715 I C -0.143 176.113 176.117 0.233 0.000 1.103 715 I CA -1.003 60.426 61.300 0.214 0.000 1.049 715 I CB 1.924 40.012 38.000 0.147 0.000 1.232 715 I HN -0.032 nan 8.210 nan 0.000 0.429 716 C N 3.379 122.817 119.300 0.230 0.000 3.335 716 C HA 0.977 5.438 4.460 0.001 0.000 0.356 716 C C -0.621 174.377 174.990 0.014 0.000 1.570 716 C CA -0.532 58.534 59.018 0.079 0.000 1.271 716 C CB 1.395 29.135 27.740 0.000 0.000 1.873 716 C HN 0.922 nan 8.230 nan 0.000 0.439 717 A N 0.637 123.396 122.820 -0.102 0.000 2.317 717 A HA 0.974 5.295 4.320 0.001 0.000 0.327 717 A C -0.047 177.455 177.584 -0.137 0.000 1.178 717 A CA 0.352 52.317 52.037 -0.120 0.000 0.817 717 A CB 0.789 19.713 19.000 -0.127 0.000 1.189 717 A HN 2.537 nan 8.150 nan 0.000 0.489 718 A N 1.970 124.783 122.820 -0.011 0.000 2.552 718 A HA 0.966 5.287 4.320 0.001 0.000 0.288 718 A C -0.439 177.245 177.584 0.168 0.000 1.193 718 A CA -0.760 51.321 52.037 0.073 0.000 0.713 718 A CB 1.288 20.270 19.000 -0.030 0.000 1.305 718 A HN 1.295 nan 8.150 nan 0.000 0.424 719 R N -0.787 119.803 120.500 0.150 0.000 2.774 719 R HA 0.844 5.185 4.340 0.001 0.000 0.272 719 R C -1.962 174.350 176.300 0.019 0.000 1.000 719 R CA -0.742 55.385 56.100 0.044 0.000 0.906 719 R CB 1.669 31.942 30.300 -0.045 0.000 1.227 719 R HN 0.471 nan 8.270 nan 0.000 0.468 720 V N 1.343 121.257 119.914 0.000 0.000 2.789 720 V HA 0.650 4.771 4.120 0.001 0.000 0.311 720 V C -0.641 175.447 176.094 -0.010 0.000 1.073 720 V CA -0.839 61.461 62.300 0.000 0.000 0.921 720 V CB 1.976 33.806 31.823 0.012 0.000 1.009 720 V HN 0.910 nan 8.190 nan 0.000 0.426 721 R N 2.336 122.830 120.500 -0.010 0.000 2.707 721 R HA 0.590 4.931 4.340 0.001 0.000 0.272 721 R C -1.020 175.275 176.300 -0.008 0.000 1.011 721 R CA -1.023 55.069 56.100 -0.013 0.000 0.893 721 R CB 2.158 32.444 30.300 -0.023 0.000 1.233 721 R HN 0.542 nan 8.270 nan 0.000 0.464 722 K N 1.527 121.923 120.400 -0.006 0.000 2.451 722 K HA 0.229 4.550 4.320 0.001 0.000 0.280 722 K C -0.001 176.595 176.600 -0.007 0.000 1.020 722 K CA 0.225 56.509 56.287 -0.004 0.000 1.008 722 K CB 0.877 33.376 32.500 -0.002 0.000 0.917 722 K HN 0.668 nan 8.250 nan 0.000 0.478 723 A N 0.000 122.816 122.820 -0.007 0.000 2.254 723 A HA 0.000 4.321 4.320 0.001 0.000 0.244 723 A CA 0.000 52.032 52.037 -0.008 0.000 0.836 723 A CB 0.000 18.995 19.000 -0.008 0.000 0.831 723 A HN 0.000 nan 8.150 nan 0.000 0.486