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 1s0v_1_A DATA FIRST_RESID 2 DATA SEQUENCE NTINIAKNDF SDIELAAIPF NTLADHYGER LAREQLALEH ESYEMGEARF DATA SEQUENCE RKMFERQLKA GEVADNAAAK PLITTLLPKM IARINDWFEE VKAKRGKRPT DATA SEQUENCE AFQFLQEIKP EAVAYITIKT TLACLTSADN TTVQAVASAI GRAIEDEARF DATA SEQUENCE GRIRDLEAKH FKKNVEEQLN KRVGHVYKKA FMQVVEADML SKGLLGGEAW DATA SEQUENCE SSWHKEDSIH VGVRCIEMLI ESTGMVSLHR QNAGVVGQDS ETIELAPEYA DATA SEQUENCE EAIATRAGAL AGISPMFQPC VVPPKPWTGI TGGGYWANGR RPLALVRTHS DATA SEQUENCE KKALMRYEDV YMPEVYKAIN IAQNTAWKIN KKVLAVANVI TKWKHCPVED DATA SEQUENCE IPAIXXXXXX XXXXXXXXXX EALTAWKRAA AAVYRKDKAR KSRRISLEFM DATA SEQUENCE LEQANKFANH KAIWFPYNMD WRGRVYAVSM FNPQGNDMTK GLLTLAKGKP DATA SEQUENCE IGKEGYYWLK IHGANCAGVD KVPFPERIKF IEENHENIMA CAKSPLENTW DATA SEQUENCE WAEQDSPFCF LAFCFEYAGV QHHGLSYNCS LPLAFDGSCS GIQHFSAMLR DATA SEQUENCE DEVGGRAVNL LPSETVQDIY GIVAKKVNEI LQADAINGTD NEVVTVTDEN DATA SEQUENCE TGEISEKVKL GTKALAGQWL AYGVTRSVTK RSVMTLAYGS KEFGFRQQVL DATA SEQUENCE EDTIQPAIDS GKGLMFTQPN QAAGYMAKLI WESVSVTVVA AVEAMNWLKS DATA SEQUENCE AAKLLAAEVK DKKTGEILRK RCAVHWVTPD GFPVWQEYKK PIQTRLNLMF DATA SEQUENCE LGQFRXXXXX XXXXDSEIDA HKQESGIAPN FVHSQDGSHL RKTVVWAHEK DATA SEQUENCE YGIESFALIH DSFGTIPADA ANLFKAVRET MVDTYESCDV LADFYDQFAD DATA SEQUENCE QLHESQLDKM PALPAKGNLN LRDILESDFA FA 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 2 N HA 0.000 nan 4.740 nan 0.000 0.220 2 N C 0.000 175.553 175.510 0.072 0.000 1.280 2 N CA 0.000 53.100 53.050 0.084 0.000 0.885 2 N CB 0.000 38.524 38.487 0.061 0.000 1.341 3 T N 1.586 116.180 114.554 0.065 0.000 2.856 3 T HA 0.366 4.623 4.350 -0.155 0.000 0.292 3 T C 1.251 175.941 174.700 -0.016 0.000 0.980 3 T CA -0.437 61.667 62.100 0.007 0.000 1.091 3 T CB 1.242 70.090 68.868 -0.032 0.000 0.936 3 T HN 0.283 nan 8.240 nan 0.000 0.503 4 I N 3.306 123.849 120.570 -0.045 0.000 2.818 4 I HA -0.054 4.023 4.170 -0.155 0.000 0.285 4 I C 0.968 177.040 176.117 -0.074 0.000 1.160 4 I CA -0.216 61.050 61.300 -0.057 0.000 1.370 4 I CB -0.725 37.228 38.000 -0.079 0.000 1.440 4 I HN 0.578 nan 8.210 nan 0.000 0.555 5 N N 6.985 125.657 118.700 -0.047 0.000 2.414 5 N HA -0.041 4.606 4.740 -0.155 0.000 0.268 5 N C 0.967 176.419 175.510 -0.098 0.000 1.286 5 N CA 0.031 53.053 53.050 -0.048 0.000 0.896 5 N CB 0.642 39.121 38.487 -0.012 0.000 1.093 5 N HN 0.395 nan 8.380 nan 0.000 0.480 6 I N 2.537 123.012 120.570 -0.159 0.000 2.439 6 I HA -0.105 3.972 4.170 -0.155 0.000 0.251 6 I C 1.484 177.428 176.117 -0.288 0.000 1.139 6 I CA 0.525 61.638 61.300 -0.312 0.000 1.438 6 I CB -1.829 35.861 38.000 -0.517 0.000 1.085 6 I HN 0.641 nan 8.210 nan 0.000 0.427 7 A N 1.171 123.941 122.820 -0.083 0.000 2.480 7 A HA -0.088 4.139 4.320 -0.155 0.000 0.230 7 A C 1.092 178.717 177.584 0.070 0.000 1.753 7 A CA 0.990 53.094 52.037 0.111 0.000 1.690 7 A CB -0.794 18.297 19.000 0.152 0.000 0.751 7 A HN 0.234 nan 8.150 nan 0.000 0.646 8 K N -0.666 119.728 120.400 -0.010 0.000 2.221 8 K HA 0.266 4.493 4.320 -0.155 0.000 0.294 8 K C 1.370 177.975 176.600 0.008 0.000 0.960 8 K CA 0.121 56.410 56.287 0.003 0.000 1.024 8 K CB -0.254 32.226 32.500 -0.033 0.000 3.406 8 K HN 0.163 nan 8.250 nan 0.000 1.152 9 N N 1.263 119.952 118.700 -0.019 0.000 2.348 9 N HA -0.181 4.466 4.740 -0.155 0.000 0.185 9 N C 1.021 176.512 175.510 -0.032 0.000 1.019 9 N CA 1.625 54.667 53.050 -0.014 0.000 0.880 9 N CB -0.082 38.391 38.487 -0.023 0.000 0.965 9 N HN 0.402 nan 8.380 nan 0.000 0.437 10 D N -0.351 119.986 120.400 -0.106 0.000 2.088 10 D HA -0.156 4.391 4.640 -0.155 0.000 0.196 10 D C 1.342 177.581 176.300 -0.102 0.000 0.983 10 D CA 1.127 55.006 54.000 -0.203 0.000 0.846 10 D CB -0.359 40.177 40.800 -0.439 0.000 0.992 10 D HN 0.212 nan 8.370 nan 0.000 0.448 11 F N 1.047 121.004 119.950 0.012 0.000 2.293 11 F HA -0.047 4.387 4.527 -0.155 0.000 0.300 11 F C 2.855 178.762 175.800 0.178 0.000 1.086 11 F CA 0.537 58.611 58.000 0.123 0.000 1.375 11 F CB -1.143 37.981 39.000 0.207 0.000 1.045 11 F HN -0.038 nan 8.300 nan 0.000 0.516 12 S N -0.184 115.669 115.700 0.256 0.000 2.392 12 S HA -0.282 4.095 4.470 -0.155 0.000 0.232 12 S C 2.161 176.800 174.600 0.065 0.000 1.041 12 S CA 1.637 59.893 58.200 0.093 0.000 1.026 12 S CB -0.541 62.692 63.200 0.056 0.000 0.845 12 S HN 0.430 nan 8.310 nan 0.000 0.465 13 D N 0.802 121.255 120.400 0.088 0.000 2.230 13 D HA -0.192 4.355 4.640 -0.155 0.000 0.189 13 D C 0.428 176.786 176.300 0.096 0.000 1.006 13 D CA 1.221 55.268 54.000 0.077 0.000 0.853 13 D CB -0.379 40.464 40.800 0.071 0.000 0.959 13 D HN 0.372 nan 8.370 nan 0.000 0.449 14 I N 1.974 122.634 120.570 0.150 0.000 2.472 14 I HA 0.005 4.082 4.170 -0.155 0.000 0.305 14 I C 0.105 176.244 176.117 0.036 0.000 1.196 14 I CA 0.065 61.454 61.300 0.148 0.000 1.613 14 I CB -0.400 37.758 38.000 0.263 0.000 1.501 14 I HN -0.035 nan 8.210 nan 0.000 0.754 15 E N 4.849 125.061 120.200 0.021 0.000 2.217 15 E HA 0.135 4.392 4.350 -0.155 0.000 0.279 15 E C 0.673 177.216 176.600 -0.095 0.000 1.068 15 E CA -0.004 56.376 56.400 -0.034 0.000 0.882 15 E CB 0.540 30.256 29.700 0.027 0.000 1.039 15 E HN 0.533 nan 8.360 nan 0.000 0.418 16 L N 2.419 123.538 121.223 -0.174 0.000 2.599 16 L HA 0.334 4.581 4.340 -0.155 0.000 0.230 16 L C 1.319 177.910 176.870 -0.465 0.000 1.141 16 L CA 0.577 55.242 54.840 -0.291 0.000 0.877 16 L CB -0.014 41.933 42.059 -0.187 0.000 1.009 16 L HN 0.496 nan 8.230 nan 0.000 0.447 17 A N -0.049 122.617 122.820 -0.257 0.000 2.242 17 A HA 0.743 4.970 4.320 -0.155 0.000 0.205 17 A C 1.077 178.855 177.584 0.324 0.000 1.353 17 A CA 0.502 52.500 52.037 -0.065 0.000 1.005 17 A CB 0.461 19.466 19.000 0.008 0.000 1.127 17 A HN 0.253 nan 8.150 nan 0.000 0.498 18 A N 0.771 123.756 122.820 0.276 0.000 2.855 18 A HA 0.666 4.893 4.320 -0.155 0.000 0.313 18 A C -0.991 176.754 177.584 0.270 0.000 1.173 18 A CA -0.137 52.087 52.037 0.312 0.000 0.753 18 A CB 0.329 19.418 19.000 0.148 0.000 1.200 18 A HN 0.183 nan 8.150 nan 0.000 0.442 19 I N 1.506 122.334 120.570 0.430 0.000 3.066 19 I HA 0.398 4.475 4.170 -0.155 0.000 0.307 19 I C -2.460 173.818 176.117 0.268 0.000 1.366 19 I CA -1.761 59.732 61.300 0.321 0.000 0.972 19 I CB 2.637 40.821 38.000 0.307 0.000 1.307 19 I HN 0.296 nan 8.210 nan 0.000 0.470 20 P HA 0.128 nan 4.420 nan 0.000 0.231 20 P C 0.237 177.593 177.300 0.094 0.000 1.756 20 P CA 0.206 63.336 63.100 0.051 0.000 0.990 20 P CB -1.081 30.651 31.700 0.053 0.000 1.973 21 F N -0.762 119.203 119.950 0.025 0.000 2.678 21 F HA 0.309 4.743 4.527 -0.155 0.000 0.305 21 F C 1.358 177.137 175.800 -0.035 0.000 1.090 21 F CA -0.528 57.478 58.000 0.010 0.000 1.272 21 F CB -0.929 38.081 39.000 0.016 0.000 1.060 21 F HN -0.156 nan 8.300 nan 0.000 0.576 22 N N 1.242 119.587 118.700 -0.592 0.000 2.430 22 N HA -0.156 4.491 4.740 -0.155 0.000 0.186 22 N C 1.333 176.717 175.510 -0.210 0.000 1.032 22 N CA 1.689 54.462 53.050 -0.462 0.000 0.893 22 N CB -0.443 37.804 38.487 -0.399 0.000 0.957 22 N HN 0.456 nan 8.380 nan 0.000 0.442 23 T N 1.577 116.050 114.554 -0.134 0.000 2.674 23 T HA -0.064 4.193 4.350 -0.155 0.000 0.265 23 T C 2.235 176.832 174.700 -0.172 0.000 1.039 23 T CA 0.685 62.706 62.100 -0.131 0.000 1.150 23 T CB -0.264 68.604 68.868 0.000 0.000 0.864 23 T HN 0.148 nan 8.240 nan 0.000 0.427 24 L N 0.618 121.764 121.223 -0.129 0.000 2.044 24 L HA -0.022 4.225 4.340 -0.155 0.000 0.205 24 L C 3.138 179.979 176.870 -0.050 0.000 1.075 24 L CA 1.076 55.793 54.840 -0.205 0.000 0.747 24 L CB -0.810 41.074 42.059 -0.293 0.000 0.903 24 L HN 0.281 nan 8.230 nan 0.000 0.435 25 A N 0.299 123.153 122.820 0.057 0.000 1.870 25 A HA -0.392 3.835 4.320 -0.155 0.000 0.219 25 A C 1.905 179.471 177.584 -0.031 0.000 1.224 25 A CA 2.601 54.677 52.037 0.065 0.000 0.650 25 A CB -1.100 17.942 19.000 0.071 0.000 0.836 25 A HN 0.466 nan 8.150 nan 0.000 0.454 26 D N -1.676 118.665 120.400 -0.099 0.000 2.160 26 D HA -0.231 4.316 4.640 -0.155 0.000 0.189 26 D C 1.784 178.000 176.300 -0.140 0.000 1.003 26 D CA 2.107 56.027 54.000 -0.133 0.000 0.846 26 D CB -0.385 40.294 40.800 -0.200 0.000 0.949 26 D HN 0.727 nan 8.370 nan 0.000 0.446 27 H N -2.714 116.151 119.070 -0.342 0.000 2.387 27 H HA -0.119 4.344 4.556 -0.154 0.000 0.299 27 H C 1.018 175.816 175.328 -0.883 0.000 1.090 27 H CA 1.384 57.035 56.048 -0.661 0.000 1.332 27 H CB 0.230 29.456 29.762 -0.893 0.000 1.386 27 H HN 0.350 nan 8.280 nan 0.000 0.516 28 Y N -1.887 118.392 120.300 -0.035 0.000 2.435 28 Y HA 0.314 4.771 4.550 -0.154 0.000 0.270 28 Y C 0.908 176.780 175.900 -0.047 0.000 1.093 28 Y CA 0.083 58.133 58.100 -0.083 0.000 1.226 28 Y CB 1.875 40.235 38.460 -0.167 0.000 1.289 28 Y HN 0.257 nan 8.280 nan 0.000 0.529 29 G N 0.405 109.252 108.800 0.078 0.000 2.357 29 G HA2 -0.096 3.771 3.960 -0.155 0.000 0.643 29 G HA3 -0.096 3.771 3.960 -0.155 0.000 0.643 29 G C -0.275 174.671 174.900 0.076 0.000 1.358 29 G CA -0.541 44.596 45.100 0.061 0.000 0.986 29 G HN -0.133 nan 8.290 nan 0.000 0.620 30 E N -0.117 120.127 120.200 0.073 0.000 2.047 30 E HA -0.061 4.196 4.350 -0.155 0.000 0.191 30 E C 2.471 179.112 176.600 0.067 0.000 0.987 30 E CA 1.194 57.654 56.400 0.099 0.000 0.799 30 E CB -0.181 29.570 29.700 0.084 0.000 0.752 30 E HN 0.543 nan 8.360 nan 0.000 0.449 31 R N 0.257 120.785 120.500 0.047 0.000 2.070 31 R HA -0.125 4.122 4.340 -0.155 0.000 0.232 31 R C 2.414 178.729 176.300 0.024 0.000 1.138 31 R CA 1.113 57.231 56.100 0.030 0.000 0.936 31 R CB -0.351 29.964 30.300 0.025 0.000 0.839 31 R HN 0.070 nan 8.270 nan 0.000 0.429 32 L N 0.630 121.872 121.223 0.032 0.000 2.042 32 L HA -0.122 4.125 4.340 -0.155 0.000 0.210 32 L C 2.464 179.326 176.870 -0.012 0.000 1.076 32 L CA 2.061 56.913 54.840 0.020 0.000 0.749 32 L CB -0.746 41.326 42.059 0.023 0.000 0.893 32 L HN 0.301 nan 8.230 nan 0.000 0.432 33 A N -1.104 121.715 122.820 -0.002 0.000 2.014 33 A HA -0.190 4.037 4.320 -0.155 0.000 0.218 33 A C 2.451 179.964 177.584 -0.118 0.000 1.163 33 A CA 1.429 53.440 52.037 -0.043 0.000 0.652 33 A CB -0.491 18.548 19.000 0.065 0.000 0.808 33 A HN 0.369 nan 8.150 nan 0.000 0.449 34 R N -0.316 120.132 120.500 -0.087 0.000 2.193 34 R HA 0.006 4.253 4.340 -0.155 0.000 0.213 34 R C 1.892 178.149 176.300 -0.072 0.000 1.055 34 R CA 1.365 57.380 56.100 -0.143 0.000 0.995 34 R CB -0.147 30.110 30.300 -0.071 0.000 0.893 34 R HN 0.681 nan 8.270 nan 0.000 0.459 35 E N -0.381 119.810 120.200 -0.015 0.000 2.014 35 E HA -0.156 4.101 4.350 -0.155 0.000 0.190 35 E C 1.697 178.330 176.600 0.054 0.000 0.980 35 E CA 0.513 56.938 56.400 0.043 0.000 0.807 35 E CB 0.044 29.793 29.700 0.080 0.000 0.770 35 E HN 0.166 nan 8.360 nan 0.000 0.451 36 Q N 0.302 120.123 119.800 0.035 0.000 2.224 36 Q HA -0.229 4.018 4.340 -0.155 0.000 0.213 36 Q C 2.251 178.310 176.000 0.098 0.000 0.998 36 Q CA 1.412 57.254 55.803 0.065 0.000 0.895 36 Q CB -0.257 28.487 28.738 0.011 0.000 0.926 36 Q HN 0.279 nan 8.270 nan 0.000 0.417 37 L N -0.668 120.575 121.223 0.033 0.000 2.179 37 L HA -0.042 4.205 4.340 -0.155 0.000 0.208 37 L C 2.226 179.143 176.870 0.078 0.000 1.096 37 L CA 1.277 56.145 54.840 0.047 0.000 0.779 37 L CB -0.495 41.517 42.059 -0.079 0.000 0.922 37 L HN 0.086 nan 8.230 nan 0.000 0.443 38 A N -1.213 121.640 122.820 0.055 0.000 2.066 38 A HA -0.074 4.153 4.320 -0.155 0.000 0.218 38 A C 2.130 179.805 177.584 0.152 0.000 1.157 38 A CA 0.948 53.045 52.037 0.101 0.000 0.670 38 A CB -0.402 18.636 19.000 0.062 0.000 0.804 38 A HN 0.263 nan 8.150 nan 0.000 0.453 39 L N -0.059 121.252 121.223 0.146 0.000 1.982 39 L HA -0.101 4.146 4.340 -0.155 0.000 0.206 39 L C 2.337 179.289 176.870 0.138 0.000 1.078 39 L CA 2.126 57.062 54.840 0.161 0.000 0.749 39 L CB -0.738 41.444 42.059 0.207 0.000 0.894 39 L HN 0.462 nan 8.230 nan 0.000 0.436 40 E N -1.246 119.063 120.200 0.182 0.000 2.136 40 E HA -0.404 3.853 4.350 -0.155 0.000 0.208 40 E C 2.140 178.732 176.600 -0.012 0.000 1.035 40 E CA 1.978 58.459 56.400 0.135 0.000 0.838 40 E CB -0.414 29.432 29.700 0.244 0.000 0.748 40 E HN 0.557 nan 8.360 nan 0.000 0.459 41 H N 0.756 119.827 119.070 0.002 0.000 2.319 41 H HA -0.150 4.313 4.556 -0.155 0.000 0.297 41 H C 2.036 177.287 175.328 -0.129 0.000 1.097 41 H CA 2.206 58.242 56.048 -0.019 0.000 1.285 41 H CB -0.104 29.671 29.762 0.022 0.000 1.368 41 H HN 0.198 nan 8.280 nan 0.000 0.495 42 E N -0.348 119.770 120.200 -0.137 0.000 2.049 42 E HA -0.230 4.027 4.350 -0.155 0.000 0.198 42 E C 2.405 178.843 176.600 -0.270 0.000 1.007 42 E CA 1.504 57.785 56.400 -0.199 0.000 0.809 42 E CB -0.194 29.481 29.700 -0.042 0.000 0.749 42 E HN 0.457 nan 8.360 nan 0.000 0.450 43 S N -0.518 115.041 115.700 -0.234 0.000 2.408 43 S HA -0.257 4.120 4.470 -0.155 0.000 0.241 43 S C 1.685 176.018 174.600 -0.446 0.000 1.080 43 S CA 1.884 59.887 58.200 -0.329 0.000 1.109 43 S CB -0.577 62.359 63.200 -0.440 0.000 0.966 43 S HN 0.412 nan 8.310 nan 0.000 0.449 44 Y N 1.080 121.061 120.300 -0.531 0.000 2.184 44 Y HA -0.059 4.398 4.550 -0.154 0.000 0.290 44 Y C 2.704 178.098 175.900 -0.844 0.000 1.129 44 Y CA 0.941 58.558 58.100 -0.805 0.000 1.144 44 Y CB -0.157 37.450 38.460 -1.422 0.000 0.995 44 Y HN 0.292 nan 8.280 nan 0.000 0.513 45 E N -0.030 119.752 120.200 -0.696 0.000 2.209 45 E HA -0.231 4.026 4.350 -0.155 0.000 0.196 45 E C 1.850 178.336 176.600 -0.190 0.000 0.993 45 E CA 1.204 57.355 56.400 -0.414 0.000 0.819 45 E CB -0.170 29.308 29.700 -0.370 0.000 0.745 45 E HN 0.576 nan 8.360 nan 0.000 0.477 46 M N -0.702 118.781 119.600 -0.195 0.000 2.558 46 M HA 0.020 4.407 4.480 -0.155 0.000 0.255 46 M C 2.073 178.319 176.300 -0.089 0.000 1.113 46 M CA 0.600 55.828 55.300 -0.119 0.000 1.097 46 M CB 0.398 32.930 32.600 -0.113 0.000 1.426 46 M HN 0.091 nan 8.290 nan 0.000 0.488 47 G N -0.201 108.542 108.800 -0.096 0.000 2.411 47 G HA2 -0.105 3.762 3.960 -0.155 0.000 0.213 47 G HA3 -0.105 3.762 3.960 -0.155 0.000 0.213 47 G C 1.361 176.306 174.900 0.076 0.000 1.166 47 G CA 0.197 45.286 45.100 -0.019 0.000 0.802 47 G HN 0.374 nan 8.290 nan 0.000 0.533 48 E N 0.441 120.707 120.200 0.111 0.000 2.001 48 E HA -0.086 4.171 4.350 -0.155 0.000 0.195 48 E C 2.956 179.641 176.600 0.143 0.000 1.002 48 E CA 0.859 57.356 56.400 0.162 0.000 0.819 48 E CB -0.219 29.633 29.700 0.252 0.000 0.769 48 E HN 0.249 nan 8.360 nan 0.000 0.454 49 A N 1.498 124.371 122.820 0.087 0.000 1.929 49 A HA -0.355 3.872 4.320 -0.155 0.000 0.221 49 A C 2.089 179.718 177.584 0.074 0.000 1.211 49 A CA 2.490 54.566 52.037 0.065 0.000 0.657 49 A CB -0.840 18.170 19.000 0.017 0.000 0.827 49 A HN 0.210 nan 8.150 nan 0.000 0.462 50 R N -1.517 119.020 120.500 0.061 0.000 2.133 50 R HA -0.209 4.038 4.340 -0.155 0.000 0.245 50 R C 1.847 178.214 176.300 0.113 0.000 1.137 50 R CA 2.351 58.485 56.100 0.056 0.000 0.947 50 R CB -0.842 29.489 30.300 0.052 0.000 0.865 50 R HN 0.536 nan 8.270 nan 0.000 0.437 51 F N 0.742 120.695 119.950 0.004 0.000 2.102 51 F HA -0.110 4.324 4.527 -0.156 0.000 0.298 51 F C 2.303 178.132 175.800 0.049 0.000 1.105 51 F CA 1.591 59.599 58.000 0.013 0.000 1.239 51 F CB -0.185 38.800 39.000 -0.025 0.000 0.991 51 F HN -0.028 nan 8.300 nan 0.000 0.474 52 R N 0.363 121.006 120.500 0.238 0.000 2.103 52 R HA -0.212 4.035 4.340 -0.155 0.000 0.234 52 R C 2.370 178.734 176.300 0.106 0.000 1.132 52 R CA 1.768 57.971 56.100 0.172 0.000 0.925 52 R CB -0.767 29.618 30.300 0.141 0.000 0.842 52 R HN 0.200 nan 8.270 nan 0.000 0.430 53 K N 0.194 120.630 120.400 0.060 0.000 2.113 53 K HA -0.162 4.065 4.320 -0.155 0.000 0.208 53 K C 2.065 178.661 176.600 -0.007 0.000 1.047 53 K CA 1.090 57.390 56.287 0.022 0.000 0.928 53 K CB -0.071 32.430 32.500 0.002 0.000 0.716 53 K HN 0.144 nan 8.250 nan 0.000 0.446 54 M N -0.400 119.179 119.600 -0.034 0.000 2.200 54 M HA -0.130 4.257 4.480 -0.155 0.000 0.265 54 M C 1.813 178.066 176.300 -0.079 0.000 1.066 54 M CA 1.218 56.471 55.300 -0.079 0.000 1.127 54 M CB -0.487 32.036 32.600 -0.128 0.000 1.379 54 M HN 0.019 nan 8.290 nan 0.000 0.420 55 F N 1.341 121.125 119.950 -0.277 0.000 2.407 55 F HA -0.132 4.302 4.527 -0.156 0.000 0.299 55 F C 2.333 178.063 175.800 -0.116 0.000 1.097 55 F CA 1.223 59.074 58.000 -0.248 0.000 1.422 55 F CB -0.250 38.584 39.000 -0.278 0.000 1.067 55 F HN 0.238 nan 8.300 nan 0.000 0.539 56 E N 0.983 121.187 120.200 0.008 0.000 2.031 56 E HA -0.248 4.009 4.350 -0.155 0.000 0.193 56 E C 2.033 178.567 176.600 -0.112 0.000 0.994 56 E CA 1.398 57.775 56.400 -0.038 0.000 0.800 56 E CB -0.206 29.499 29.700 0.007 0.000 0.752 56 E HN 0.281 nan 8.360 nan 0.000 0.447 57 R N 0.215 120.658 120.500 -0.095 0.000 2.323 57 R HA 0.037 4.284 4.340 -0.155 0.000 0.198 57 R C 2.314 178.537 176.300 -0.129 0.000 0.988 57 R CA 0.426 56.470 56.100 -0.093 0.000 1.041 57 R CB 0.084 30.346 30.300 -0.064 0.000 0.926 57 R HN 0.252 nan 8.270 nan 0.000 0.476 58 Q N -0.186 119.486 119.800 -0.213 0.000 2.163 58 Q HA 0.033 4.280 4.340 -0.155 0.000 0.198 58 Q C 1.897 177.732 176.000 -0.276 0.000 0.954 58 Q CA 1.028 56.678 55.803 -0.255 0.000 0.851 58 Q CB 0.167 28.684 28.738 -0.369 0.000 0.928 58 Q HN 0.369 nan 8.270 nan 0.000 0.459 59 L N 0.826 121.839 121.223 -0.350 0.000 2.049 59 L HA -0.023 4.224 4.340 -0.155 0.000 0.203 59 L C 2.337 179.121 176.870 -0.144 0.000 1.074 59 L CA 0.796 55.479 54.840 -0.263 0.000 0.749 59 L CB -0.575 41.319 42.059 -0.275 0.000 0.907 59 L HN 0.058 nan 8.230 nan 0.000 0.439 60 K N 1.294 121.621 120.400 -0.123 0.000 2.640 60 K HA -0.122 4.105 4.320 -0.155 0.000 0.193 60 K C 0.889 177.457 176.600 -0.054 0.000 1.036 60 K CA 1.117 57.361 56.287 -0.072 0.000 0.962 60 K CB 0.108 32.573 32.500 -0.059 0.000 0.791 60 K HN 0.373 nan 8.250 nan 0.000 0.491 61 A N -1.231 121.554 122.820 -0.058 0.000 2.701 61 A HA 0.337 4.564 4.320 -0.155 0.000 0.241 61 A C 1.003 178.581 177.584 -0.011 0.000 1.231 61 A CA 0.530 52.550 52.037 -0.028 0.000 1.003 61 A CB 0.500 19.487 19.000 -0.022 0.000 1.281 61 A HN 0.331 nan 8.150 nan 0.000 0.600 62 G N 0.248 109.026 108.800 -0.036 0.000 2.184 62 G HA2 -0.279 3.588 3.960 -0.155 0.000 0.264 62 G HA3 -0.279 3.588 3.960 -0.155 0.000 0.264 62 G C 0.321 175.211 174.900 -0.017 0.000 0.975 62 G CA 0.584 45.674 45.100 -0.017 0.000 0.642 62 G HN 0.579 nan 8.290 nan 0.000 0.536 63 E N 0.242 120.420 120.200 -0.037 0.000 2.382 63 E HA 0.191 4.448 4.350 -0.155 0.000 0.190 63 E C 1.908 178.454 176.600 -0.091 0.000 1.125 63 E CA 0.317 56.693 56.400 -0.040 0.000 0.929 63 E CB 0.109 29.793 29.700 -0.028 0.000 1.053 63 E HN 0.460 nan 8.360 nan 0.000 0.475 64 V N 0.411 120.252 119.914 -0.123 0.000 3.330 64 V HA -0.196 3.831 4.120 -0.155 0.000 0.273 64 V C 1.954 178.015 176.094 -0.055 0.000 1.179 64 V CA 1.585 63.793 62.300 -0.153 0.000 1.174 64 V CB -0.692 31.023 31.823 -0.180 0.000 0.794 64 V HN 0.335 nan 8.190 nan 0.000 0.527 65 A N -0.377 122.412 122.820 -0.051 0.000 2.063 65 A HA 0.039 4.266 4.320 -0.155 0.000 0.211 65 A C 1.338 178.916 177.584 -0.009 0.000 1.177 65 A CA 0.437 52.464 52.037 -0.017 0.000 0.759 65 A CB -0.034 18.923 19.000 -0.072 0.000 0.857 65 A HN 0.487 nan 8.150 nan 0.000 0.468 66 D N 1.162 121.541 120.400 -0.036 0.000 2.676 66 D HA 0.091 4.638 4.640 -0.155 0.000 0.239 66 D C -0.421 175.863 176.300 -0.027 0.000 1.213 66 D CA 0.202 54.185 54.000 -0.029 0.000 0.835 66 D CB -0.245 40.538 40.800 -0.028 0.000 1.009 66 D HN 0.329 nan 8.370 nan 0.000 0.479 67 N N 0.257 118.953 118.700 -0.007 0.000 2.371 67 N HA 0.229 4.876 4.740 -0.155 0.000 0.291 67 N C 0.487 176.032 175.510 0.058 0.000 1.053 67 N CA -0.415 52.660 53.050 0.042 0.000 0.870 67 N CB 1.943 40.489 38.487 0.099 0.000 1.503 67 N HN -0.090 nan 8.380 nan 0.000 0.485 68 A N 2.835 125.691 122.820 0.059 0.000 2.186 68 A HA -0.041 4.186 4.320 -0.155 0.000 0.219 68 A C 1.819 179.453 177.584 0.084 0.000 1.159 68 A CA 1.805 53.867 52.037 0.042 0.000 0.680 68 A CB -0.292 18.746 19.000 0.063 0.000 0.787 68 A HN 0.723 nan 8.150 nan 0.000 0.467 69 A N -0.854 122.068 122.820 0.171 0.000 2.016 69 A HA 0.373 4.600 4.320 -0.155 0.000 0.217 69 A C 2.085 179.744 177.584 0.125 0.000 1.162 69 A CA 1.455 53.590 52.037 0.162 0.000 0.662 69 A CB -0.362 18.765 19.000 0.212 0.000 0.812 69 A HN 1.040 nan 8.150 nan 0.000 0.450 70 A N -1.005 121.891 122.820 0.127 0.000 2.390 70 A HA 0.272 4.499 4.320 -0.155 0.000 0.232 70 A C 1.663 179.267 177.584 0.033 0.000 1.233 70 A CA 0.311 52.401 52.037 0.089 0.000 0.907 70 A CB -0.022 19.041 19.000 0.107 0.000 0.967 70 A HN 0.403 nan 8.150 nan 0.000 0.512 71 K N 0.570 120.951 120.400 -0.031 0.000 2.228 71 K HA -0.016 4.211 4.320 -0.155 0.000 0.202 71 K C -0.942 175.611 176.600 -0.080 0.000 1.051 71 K CA 1.008 57.206 56.287 -0.148 0.000 0.960 71 K CB -0.460 31.833 32.500 -0.345 0.000 0.743 71 K HN 0.425 nan 8.250 nan 0.000 0.458 72 P HA -0.137 nan 4.420 nan 0.000 0.221 72 P C 1.334 178.641 177.300 0.012 0.000 1.150 72 P CA 1.168 64.262 63.100 -0.010 0.000 0.800 72 P CB 0.043 31.728 31.700 -0.025 0.000 0.787 73 L N -0.385 120.836 121.223 -0.003 0.000 2.007 73 L HA -0.055 4.192 4.340 -0.155 0.000 0.205 73 L C 2.668 179.559 176.870 0.035 0.000 1.073 73 L CA 1.253 56.067 54.840 -0.044 0.000 0.744 73 L CB -1.153 40.860 42.059 -0.077 0.000 0.898 73 L HN -0.207 nan 8.230 nan 0.000 0.435 74 I N 0.112 120.760 120.570 0.130 0.000 3.102 74 I HA -0.195 3.882 4.170 -0.155 0.000 0.278 74 I C 1.726 177.975 176.117 0.220 0.000 1.316 74 I CA 0.836 62.268 61.300 0.220 0.000 1.425 74 I CB -0.722 37.525 38.000 0.411 0.000 1.073 74 I HN 0.344 nan 8.210 nan 0.000 0.503 75 T N -1.413 113.277 114.554 0.227 0.000 3.044 75 T HA -0.038 4.219 4.350 -0.155 0.000 0.255 75 T C 1.885 176.600 174.700 0.025 0.000 1.073 75 T CA 1.372 63.577 62.100 0.175 0.000 1.125 75 T CB 0.015 69.019 68.868 0.226 0.000 0.908 75 T HN 0.515 nan 8.240 nan 0.000 0.480 76 T N -0.769 113.793 114.554 0.014 0.000 2.985 76 T HA 0.294 4.551 4.350 -0.155 0.000 0.254 76 T C 1.651 176.345 174.700 -0.010 0.000 1.021 76 T CA -0.194 61.899 62.100 -0.011 0.000 0.957 76 T CB -0.188 68.666 68.868 -0.023 0.000 1.047 76 T HN 0.172 nan 8.240 nan 0.000 0.511 77 L N -0.051 121.172 121.223 -0.001 0.000 2.375 77 L HA 0.479 4.726 4.340 -0.155 0.000 0.215 77 L C 1.848 178.728 176.870 0.016 0.000 1.108 77 L CA 0.531 55.383 54.840 0.021 0.000 0.830 77 L CB -0.073 42.011 42.059 0.041 0.000 0.959 77 L HN 0.222 nan 8.230 nan 0.000 0.457 78 L N 0.221 121.429 121.223 -0.026 0.000 2.446 78 L HA 0.130 4.377 4.340 -0.155 0.000 0.219 78 L C -0.855 175.977 176.870 -0.062 0.000 1.116 78 L CA 0.767 55.574 54.840 -0.056 0.000 0.844 78 L CB -0.919 41.042 42.059 -0.163 0.000 0.970 78 L HN 0.155 nan 8.230 nan 0.000 0.457 79 P HA -0.159 nan 4.420 nan 0.000 0.219 79 P C 1.391 178.680 177.300 -0.018 0.000 1.154 79 P CA 1.283 64.355 63.100 -0.046 0.000 0.826 79 P CB 0.220 31.895 31.700 -0.042 0.000 0.795 80 K N -0.647 119.752 120.400 -0.002 0.000 2.057 80 K HA -0.110 4.117 4.320 -0.155 0.000 0.207 80 K C 2.287 178.898 176.600 0.019 0.000 1.049 80 K CA 1.676 57.972 56.287 0.016 0.000 0.931 80 K CB -0.423 32.096 32.500 0.032 0.000 0.714 80 K HN 0.040 nan 8.250 nan 0.000 0.440 81 M N 0.468 120.078 119.600 0.016 0.000 2.288 81 M HA 0.011 4.398 4.480 -0.155 0.000 0.266 81 M C 1.419 177.721 176.300 0.004 0.000 1.072 81 M CA 1.517 56.828 55.300 0.019 0.000 1.132 81 M CB 0.134 32.753 32.600 0.032 0.000 1.386 81 M HN 0.050 nan 8.290 nan 0.000 0.432 82 I N 0.037 120.597 120.570 -0.016 0.000 2.617 82 I HA -0.035 4.042 4.170 -0.155 0.000 0.256 82 I C 2.433 178.529 176.117 -0.035 0.000 1.167 82 I CA 0.714 61.990 61.300 -0.040 0.000 1.469 82 I CB -0.847 37.116 38.000 -0.061 0.000 1.098 82 I HN 0.382 nan 8.210 nan 0.000 0.436 83 A N 1.233 124.046 122.820 -0.011 0.000 1.855 83 A HA -0.200 4.027 4.320 -0.155 0.000 0.215 83 A C 2.458 180.068 177.584 0.042 0.000 1.191 83 A CA 1.323 53.365 52.037 0.009 0.000 0.613 83 A CB -0.556 18.453 19.000 0.014 0.000 0.829 83 A HN 0.222 nan 8.150 nan 0.000 0.442 84 R N 0.487 121.019 120.500 0.053 0.000 2.117 84 R HA -0.120 4.127 4.340 -0.155 0.000 0.243 84 R C 1.655 178.047 176.300 0.152 0.000 1.143 84 R CA 1.967 58.124 56.100 0.094 0.000 0.968 84 R CB -0.737 29.600 30.300 0.061 0.000 0.863 84 R HN 0.642 nan 8.270 nan 0.000 0.444 85 I N 0.004 120.627 120.570 0.088 0.000 3.111 85 I HA -0.113 3.964 4.170 -0.155 0.000 0.272 85 I C 1.600 177.725 176.117 0.013 0.000 1.268 85 I CA 0.637 62.005 61.300 0.113 0.000 1.467 85 I CB -0.292 37.680 38.000 -0.047 0.000 1.087 85 I HN 0.186 nan 8.210 nan 0.000 0.467 86 N N 0.644 119.343 118.700 -0.002 0.000 2.395 86 N HA -0.095 4.552 4.740 -0.155 0.000 0.175 86 N C 1.024 176.619 175.510 0.143 0.000 1.029 86 N CA 0.554 53.593 53.050 -0.019 0.000 0.897 86 N CB 0.223 38.686 38.487 -0.039 0.000 0.991 86 N HN 0.309 nan 8.380 nan 0.000 0.441 87 D N 0.495 121.005 120.400 0.185 0.000 2.162 87 D HA -0.145 4.402 4.640 -0.155 0.000 0.203 87 D C 1.490 177.964 176.300 0.290 0.000 0.967 87 D CA 0.469 54.589 54.000 0.200 0.000 0.840 87 D CB -0.247 40.659 40.800 0.177 0.000 0.972 87 D HN 0.408 nan 8.370 nan 0.000 0.482 88 W N 0.482 121.917 121.300 0.224 0.000 2.465 88 W HA -0.177 4.390 4.660 -0.155 0.000 0.268 88 W C 0.811 177.662 176.519 0.553 0.000 1.242 88 W CA 0.466 58.001 57.345 0.316 0.000 1.248 88 W CB -0.102 29.560 29.460 0.337 0.000 1.118 88 W HN -0.125 nan 8.180 nan 0.000 0.587 89 F N 1.081 121.176 119.950 0.243 0.000 2.664 89 F HA -0.001 4.433 4.527 -0.155 0.000 0.296 89 F C 2.056 177.959 175.800 0.172 0.000 1.125 89 F CA 0.896 59.125 58.000 0.382 0.000 1.444 89 F CB -0.433 38.699 39.000 0.220 0.000 1.114 89 F HN -0.141 nan 8.300 nan 0.000 0.576 90 E N -0.391 119.925 120.200 0.192 0.000 2.431 90 E HA 0.009 4.266 4.350 -0.155 0.000 0.200 90 E C 1.596 178.149 176.600 -0.079 0.000 0.995 90 E CA 0.272 56.706 56.400 0.057 0.000 0.915 90 E CB -0.108 29.638 29.700 0.078 0.000 0.930 90 E HN 0.482 nan 8.360 nan 0.000 0.496 91 E N 0.623 120.717 120.200 -0.177 0.000 2.112 91 E HA -0.042 4.215 4.350 -0.155 0.000 0.190 91 E C 1.818 178.122 176.600 -0.493 0.000 0.979 91 E CA 0.805 57.024 56.400 -0.301 0.000 0.814 91 E CB 0.388 29.881 29.700 -0.345 0.000 0.762 91 E HN -0.018 nan 8.360 nan 0.000 0.460 92 V N 0.914 120.374 119.914 -0.757 0.000 3.307 92 V HA -0.027 4.000 4.120 -0.155 0.000 0.253 92 V C 1.829 177.558 176.094 -0.609 0.000 1.149 92 V CA 0.756 62.540 62.300 -0.859 0.000 1.112 92 V CB -0.024 30.897 31.823 -1.503 0.000 0.777 92 V HN 0.085 nan 8.190 nan 0.000 0.464 93 K N 1.021 121.164 120.400 -0.429 0.000 2.217 93 K HA 0.083 4.310 4.320 -0.155 0.000 0.202 93 K C 1.684 178.193 176.600 -0.152 0.000 1.051 93 K CA 1.215 57.380 56.287 -0.204 0.000 0.952 93 K CB -0.076 32.402 32.500 -0.038 0.000 0.736 93 K HN 0.427 nan 8.250 nan 0.000 0.453 94 A N 1.351 124.076 122.820 -0.158 0.000 2.411 94 A HA 0.109 4.336 4.320 -0.155 0.000 0.251 94 A C -0.270 177.234 177.584 -0.133 0.000 1.317 94 A CA 0.081 52.050 52.037 -0.114 0.000 0.904 94 A CB 0.078 19.028 19.000 -0.083 0.000 0.993 94 A HN 0.011 nan 8.150 nan 0.000 0.504 95 K N 0.401 120.693 120.400 -0.179 0.000 2.615 95 K HA 0.384 4.611 4.320 -0.155 0.000 0.249 95 K C -0.669 175.826 176.600 -0.175 0.000 0.977 95 K CA -0.798 55.386 56.287 -0.171 0.000 0.833 95 K CB 1.774 34.152 32.500 -0.203 0.000 1.208 95 K HN 0.191 nan 8.250 nan 0.000 0.443 96 R N 0.362 120.785 120.500 -0.128 0.000 2.995 96 R HA 0.434 4.681 4.340 -0.155 0.000 0.287 96 R C 0.228 176.453 176.300 -0.125 0.000 1.168 96 R CA 0.916 56.946 56.100 -0.116 0.000 1.183 96 R CB 0.119 30.368 30.300 -0.084 0.000 1.157 96 R HN 0.861 nan 8.270 nan 0.000 0.577 97 G N 0.272 109.008 108.800 -0.107 0.000 2.895 97 G HA2 -0.195 3.672 3.960 -0.155 0.000 0.686 97 G HA3 -0.195 3.672 3.960 -0.155 0.000 0.686 97 G C -1.154 173.670 174.900 -0.126 0.000 1.108 97 G CA -0.738 44.298 45.100 -0.105 0.000 0.761 97 G HN 0.422 nan 8.290 nan 0.000 0.611 98 K N 1.488 121.822 120.400 -0.110 0.000 2.440 98 K HA 0.053 4.280 4.320 -0.155 0.000 0.275 98 K C 1.030 177.537 176.600 -0.154 0.000 1.082 98 K CA 0.167 56.382 56.287 -0.120 0.000 1.135 98 K CB 0.265 32.705 32.500 -0.100 0.000 0.864 98 K HN 0.449 nan 8.250 nan 0.000 0.479 99 R N 4.119 124.509 120.500 -0.184 0.000 2.585 99 R HA 0.016 4.263 4.340 -0.155 0.000 0.275 99 R C -1.910 174.279 176.300 -0.186 0.000 1.018 99 R CA -1.075 54.877 56.100 -0.247 0.000 1.072 99 R CB -0.430 29.731 30.300 -0.231 0.000 0.953 99 R HN 0.494 nan 8.270 nan 0.000 0.419 100 P HA -0.130 nan 4.420 nan 0.000 0.271 100 P C 0.108 177.327 177.300 -0.135 0.000 1.212 100 P CA 0.335 63.387 63.100 -0.081 0.000 0.788 100 P CB 0.366 32.102 31.700 0.060 0.000 0.865 101 T N -0.774 113.667 114.554 -0.189 0.000 2.777 101 T HA -0.115 4.142 4.350 -0.155 0.000 0.266 101 T C 1.892 176.374 174.700 -0.363 0.000 1.040 101 T CA 1.429 63.334 62.100 -0.325 0.000 1.141 101 T CB -0.891 67.692 68.868 -0.476 0.000 0.868 101 T HN 0.497 nan 8.240 nan 0.000 0.444 102 A N 0.876 123.653 122.820 -0.072 0.000 1.929 102 A HA 0.170 4.397 4.320 -0.155 0.000 0.216 102 A C 1.980 179.553 177.584 -0.018 0.000 1.176 102 A CA 0.751 52.833 52.037 0.075 0.000 0.628 102 A CB -1.111 18.026 19.000 0.229 0.000 0.816 102 A HN 0.429 nan 8.150 nan 0.000 0.444 103 F N 1.343 121.204 119.950 -0.149 0.000 2.307 103 F HA -0.228 4.206 4.527 -0.155 0.000 0.301 103 F C 2.626 178.226 175.800 -0.334 0.000 1.076 103 F CA 1.904 59.760 58.000 -0.240 0.000 1.383 103 F CB 0.068 38.906 39.000 -0.269 0.000 1.055 103 F HN 0.388 nan 8.300 nan 0.000 0.526 104 Q N -0.734 118.848 119.800 -0.364 0.000 2.123 104 Q HA -0.156 4.091 4.340 -0.155 0.000 0.199 104 Q C 2.125 177.994 176.000 -0.219 0.000 0.966 104 Q CA 1.604 57.163 55.803 -0.406 0.000 0.845 104 Q CB -0.793 27.549 28.738 -0.659 0.000 0.907 104 Q HN 0.468 nan 8.270 nan 0.000 0.439 105 F N 1.393 121.377 119.950 0.056 0.000 2.104 105 F HA 0.013 4.447 4.527 -0.155 0.000 0.288 105 F C 2.118 178.104 175.800 0.311 0.000 1.107 105 F CA 0.043 58.233 58.000 0.318 0.000 1.208 105 F CB -0.401 38.853 39.000 0.424 0.000 1.033 105 F HN -0.140 nan 8.300 nan 0.000 0.478 106 L N 0.757 122.224 121.223 0.405 0.000 2.757 106 L HA -0.215 4.032 4.340 -0.155 0.000 0.243 106 L C 1.353 178.384 176.870 0.269 0.000 1.182 106 L CA 0.922 55.976 54.840 0.357 0.000 0.851 106 L CB -0.937 41.347 42.059 0.376 0.000 0.989 106 L HN 0.427 nan 8.230 nan 0.000 0.457 107 Q N -0.820 119.019 119.800 0.065 0.000 2.319 107 Q HA 0.002 4.249 4.340 -0.155 0.000 0.202 107 Q C 1.320 177.427 176.000 0.178 0.000 0.896 107 Q CA 0.060 55.877 55.803 0.024 0.000 0.942 107 Q CB 0.570 29.184 28.738 -0.206 0.000 1.083 107 Q HN 0.474 nan 8.270 nan 0.000 0.510 108 E N 0.260 120.620 120.200 0.267 0.000 2.175 108 E HA 0.084 4.341 4.350 -0.155 0.000 0.195 108 E C 0.304 177.025 176.600 0.202 0.000 0.934 108 E CA 0.370 56.943 56.400 0.289 0.000 0.870 108 E CB 0.537 30.540 29.700 0.505 0.000 0.838 108 E HN 0.195 nan 8.360 nan 0.000 0.474 109 I N 2.363 123.050 120.570 0.195 0.000 2.395 109 I HA 0.043 4.120 4.170 -0.155 0.000 0.289 109 I C 0.702 176.881 176.117 0.103 0.000 1.023 109 I CA -0.279 61.090 61.300 0.116 0.000 1.350 109 I CB 0.790 38.853 38.000 0.105 0.000 1.409 109 I HN -0.199 nan 8.210 nan 0.000 0.507 110 K N 9.201 129.639 120.400 0.063 0.000 2.477 110 K HA -0.056 4.171 4.320 -0.155 0.000 0.275 110 K C -1.449 175.159 176.600 0.014 0.000 1.054 110 K CA -0.683 55.624 56.287 0.033 0.000 1.135 110 K CB 0.650 33.162 32.500 0.021 0.000 0.854 110 K HN 0.330 nan 8.250 nan 0.000 0.484 111 P HA -0.212 nan 4.420 nan 0.000 0.216 111 P C 0.291 177.555 177.300 -0.059 0.000 1.153 111 P CA 1.501 64.529 63.100 -0.119 0.000 0.858 111 P CB 0.216 31.740 31.700 -0.293 0.000 0.789 112 E N 0.338 120.507 120.200 -0.052 0.000 2.070 112 E HA -0.161 4.096 4.350 -0.155 0.000 0.197 112 E C 2.315 178.922 176.600 0.013 0.000 1.004 112 E CA 1.751 58.125 56.400 -0.043 0.000 0.805 112 E CB -1.424 28.236 29.700 -0.066 0.000 0.744 112 E HN 0.239 nan 8.360 nan 0.000 0.451 113 A N 0.603 123.446 122.820 0.039 0.000 1.841 113 A HA -0.225 4.002 4.320 -0.155 0.000 0.216 113 A C 2.525 180.186 177.584 0.129 0.000 1.199 113 A CA 2.174 54.272 52.037 0.102 0.000 0.621 113 A CB -1.134 17.916 19.000 0.083 0.000 0.835 113 A HN 0.128 nan 8.150 nan 0.000 0.445 114 V N 0.181 120.155 119.914 0.100 0.000 2.231 114 V HA -0.356 3.671 4.120 -0.155 0.000 0.250 114 V C 3.002 179.166 176.094 0.116 0.000 1.058 114 V CA 2.488 64.859 62.300 0.118 0.000 1.022 114 V CB -1.881 30.018 31.823 0.125 0.000 0.640 114 V HN 0.711 nan 8.190 nan 0.000 0.445 115 A N -0.578 122.292 122.820 0.084 0.000 1.923 115 A HA -0.371 3.856 4.320 -0.155 0.000 0.222 115 A C 2.209 179.877 177.584 0.141 0.000 1.258 115 A CA 2.920 55.004 52.037 0.079 0.000 0.670 115 A CB -1.018 18.000 19.000 0.030 0.000 0.834 115 A HN 0.704 nan 8.150 nan 0.000 0.470 116 Y N 0.323 120.617 120.300 -0.010 0.000 2.153 116 Y HA -0.078 4.379 4.550 -0.155 0.000 0.289 116 Y C 2.130 178.041 175.900 0.020 0.000 1.127 116 Y CA 1.047 59.136 58.100 -0.019 0.000 1.131 116 Y CB -0.611 37.816 38.460 -0.054 0.000 0.995 116 Y HN 0.291 nan 8.280 nan 0.000 0.505 117 I N -0.257 120.356 120.570 0.071 0.000 2.290 117 I HA -0.461 3.616 4.170 -0.155 0.000 0.253 117 I C 2.025 178.189 176.117 0.078 0.000 1.112 117 I CA 1.962 63.298 61.300 0.061 0.000 1.377 117 I CB -0.833 37.262 38.000 0.157 0.000 1.060 117 I HN 0.276 nan 8.210 nan 0.000 0.428 118 T N 1.292 115.894 114.554 0.081 0.000 2.698 118 T HA -0.057 4.200 4.350 -0.155 0.000 0.260 118 T C 1.998 176.731 174.700 0.055 0.000 1.044 118 T CA 1.118 63.268 62.100 0.083 0.000 1.149 118 T CB -0.182 68.738 68.868 0.086 0.000 0.864 118 T HN 0.125 nan 8.240 nan 0.000 0.419 119 I N 1.509 122.108 120.570 0.048 0.000 2.091 119 I HA -0.231 3.846 4.170 -0.155 0.000 0.240 119 I C 2.529 178.644 176.117 -0.003 0.000 1.046 119 I CA 1.672 63.002 61.300 0.050 0.000 1.306 119 I CB -1.204 36.865 38.000 0.115 0.000 1.018 119 I HN 0.175 nan 8.210 nan 0.000 0.404 120 K N 1.251 121.574 120.400 -0.128 0.000 1.965 120 K HA -0.143 4.084 4.320 -0.155 0.000 0.218 120 K C 2.082 178.666 176.600 -0.027 0.000 1.048 120 K CA 2.488 58.642 56.287 -0.222 0.000 0.960 120 K CB -0.874 31.192 32.500 -0.722 0.000 0.732 120 K HN 0.398 nan 8.250 nan 0.000 0.444 121 T N 0.799 115.430 114.554 0.128 0.000 2.918 121 T HA -0.121 4.136 4.350 -0.155 0.000 0.271 121 T C 1.835 176.593 174.700 0.098 0.000 1.104 121 T CA 1.728 63.957 62.100 0.216 0.000 1.114 121 T CB -0.452 68.568 68.868 0.253 0.000 0.855 121 T HN 0.308 nan 8.240 nan 0.000 0.518 122 T N 2.538 117.133 114.554 0.068 0.000 2.588 122 T HA 0.033 4.290 4.350 -0.155 0.000 0.261 122 T C 1.927 176.652 174.700 0.041 0.000 1.069 122 T CA 1.028 63.159 62.100 0.052 0.000 1.172 122 T CB -0.550 68.349 68.868 0.051 0.000 0.863 122 T HN 0.258 nan 8.240 nan 0.000 0.408 123 L N 0.907 122.150 121.223 0.035 0.000 2.191 123 L HA -0.065 4.182 4.340 -0.155 0.000 0.212 123 L C 2.831 179.709 176.870 0.013 0.000 1.103 123 L CA 1.042 55.898 54.840 0.026 0.000 0.769 123 L CB -0.625 41.448 42.059 0.023 0.000 0.908 123 L HN 0.248 nan 8.230 nan 0.000 0.438 124 A N -1.042 121.792 122.820 0.023 0.000 1.873 124 A HA -0.196 4.031 4.320 -0.155 0.000 0.215 124 A C 2.355 179.948 177.584 0.015 0.000 1.186 124 A CA 1.759 53.811 52.037 0.024 0.000 0.616 124 A CB -1.121 17.926 19.000 0.078 0.000 0.823 124 A HN 0.507 nan 8.150 nan 0.000 0.442 125 C N -0.654 118.660 119.300 0.024 0.000 2.450 125 C HA 0.087 4.454 4.460 -0.155 0.000 0.279 125 C C 2.532 177.529 174.990 0.012 0.000 1.335 125 C CA 0.600 59.626 59.018 0.013 0.000 1.749 125 C CB -1.430 26.320 27.740 0.016 0.000 1.963 125 C HN 0.594 nan 8.230 nan 0.000 0.501 126 L N 1.118 122.351 121.223 0.017 0.000 2.275 126 L HA -0.091 4.156 4.340 -0.155 0.000 0.215 126 L C 2.288 179.164 176.870 0.010 0.000 1.119 126 L CA 1.751 56.602 54.840 0.018 0.000 0.790 126 L CB -0.714 41.361 42.059 0.026 0.000 0.919 126 L HN 0.512 nan 8.230 nan 0.000 0.443 127 T N -4.570 109.983 114.554 -0.001 0.000 3.163 127 T HA 0.090 4.347 4.350 -0.155 0.000 0.252 127 T C 0.840 175.529 174.700 -0.018 0.000 1.056 127 T CA -0.118 61.972 62.100 -0.015 0.000 0.947 127 T CB 0.189 69.031 68.868 -0.042 0.000 1.016 127 T HN 0.134 nan 8.240 nan 0.000 0.554 128 S N 0.427 116.122 115.700 -0.009 0.000 2.626 128 S HA 0.591 4.968 4.470 -0.155 0.000 0.257 128 S C 1.868 176.465 174.600 -0.006 0.000 1.288 128 S CA -0.033 58.161 58.200 -0.009 0.000 0.980 128 S CB 0.547 63.743 63.200 -0.006 0.000 0.975 128 S HN 0.437 nan 8.310 nan 0.000 0.577 129 A N 1.187 124.003 122.820 -0.006 0.000 1.832 129 A HA 0.010 4.237 4.320 -0.155 0.000 0.214 129 A C 1.509 179.094 177.584 0.002 0.000 1.200 129 A CA 1.870 53.905 52.037 -0.003 0.000 0.610 129 A CB -0.709 18.289 19.000 -0.004 0.000 0.842 129 A HN 0.919 nan 8.150 nan 0.000 0.444 130 D N -2.544 117.857 120.400 0.001 0.000 2.954 130 D HA 0.010 4.557 4.640 -0.155 0.000 0.266 130 D C 0.096 176.399 176.300 0.006 0.000 1.277 130 D CA -0.394 53.609 54.000 0.004 0.000 1.130 130 D CB -0.767 40.035 40.800 0.002 0.000 1.440 130 D HN 0.233 nan 8.370 nan 0.000 0.427 131 N N 1.699 120.400 118.700 0.002 0.000 2.417 131 N HA -0.010 4.637 4.740 -0.155 0.000 0.272 131 N C -0.105 175.409 175.510 0.006 0.000 1.304 131 N CA 0.792 53.843 53.050 0.001 0.000 0.906 131 N CB 0.596 39.081 38.487 -0.004 0.000 1.135 131 N HN 0.060 nan 8.380 nan 0.000 0.483 132 T N -0.301 114.260 114.554 0.012 0.000 3.087 132 T HA -0.004 4.252 4.350 -0.155 0.000 0.283 132 T C 0.515 175.227 174.700 0.021 0.000 0.956 132 T CA -0.264 61.847 62.100 0.019 0.000 0.894 132 T CB 0.088 68.973 68.868 0.029 0.000 1.160 132 T HN 0.642 nan 8.240 nan 0.000 0.532 133 T N 0.560 115.122 114.554 0.014 0.000 2.946 133 T HA 0.068 4.325 4.350 -0.155 0.000 0.312 133 T C 1.542 176.250 174.700 0.014 0.000 1.066 133 T CA -0.190 61.917 62.100 0.011 0.000 1.138 133 T CB 0.978 69.848 68.868 0.002 0.000 1.014 133 T HN -0.016 nan 8.240 nan 0.000 0.544 134 V N 2.339 122.263 119.914 0.017 0.000 3.186 134 V HA -0.088 3.939 4.120 -0.155 0.000 0.270 134 V C 2.410 178.513 176.094 0.014 0.000 1.149 134 V CA 2.283 64.596 62.300 0.020 0.000 1.160 134 V CB -0.900 30.937 31.823 0.023 0.000 0.758 134 V HN 1.045 nan 8.190 nan 0.000 0.516 135 Q N 1.000 120.804 119.800 0.006 0.000 1.994 135 Q HA 0.005 4.252 4.340 -0.155 0.000 0.198 135 Q C 2.192 178.188 176.000 -0.006 0.000 0.976 135 Q CA 2.632 58.432 55.803 -0.004 0.000 0.828 135 Q CB -0.740 27.993 28.738 -0.009 0.000 0.894 135 Q HN 0.574 nan 8.270 nan 0.000 0.432 136 A N -0.168 122.649 122.820 -0.005 0.000 1.898 136 A HA -0.068 4.159 4.320 -0.155 0.000 0.216 136 A C 2.323 179.907 177.584 -0.001 0.000 1.181 136 A CA 1.437 53.469 52.037 -0.008 0.000 0.620 136 A CB -0.925 18.069 19.000 -0.010 0.000 0.819 136 A HN 0.280 nan 8.150 nan 0.000 0.442 137 V N 0.010 119.930 119.914 0.009 0.000 2.219 137 V HA -0.324 3.703 4.120 -0.155 0.000 0.248 137 V C 3.101 179.212 176.094 0.029 0.000 1.053 137 V CA 2.273 64.585 62.300 0.019 0.000 1.009 137 V CB -1.280 30.559 31.823 0.025 0.000 0.636 137 V HN 0.622 nan 8.190 nan 0.000 0.445 138 A N -0.686 122.152 122.820 0.031 0.000 1.940 138 A HA -0.270 3.957 4.320 -0.155 0.000 0.219 138 A C 2.567 180.178 177.584 0.046 0.000 1.176 138 A CA 2.416 54.480 52.037 0.045 0.000 0.631 138 A CB -0.874 18.151 19.000 0.041 0.000 0.814 138 A HN 0.564 nan 8.150 nan 0.000 0.446 139 S N -0.279 115.433 115.700 0.021 0.000 2.370 139 S HA -0.081 4.296 4.470 -0.155 0.000 0.226 139 S C 2.132 176.743 174.600 0.018 0.000 1.033 139 S CA 1.764 59.972 58.200 0.014 0.000 1.011 139 S CB -0.525 62.670 63.200 -0.009 0.000 0.852 139 S HN 0.868 nan 8.310 nan 0.000 0.457 140 A N 1.865 124.689 122.820 0.007 0.000 1.832 140 A HA 0.040 4.267 4.320 -0.155 0.000 0.214 140 A C 2.127 179.720 177.584 0.016 0.000 1.200 140 A CA 1.547 53.577 52.037 -0.011 0.000 0.610 140 A CB -1.087 17.904 19.000 -0.015 0.000 0.842 140 A HN 0.618 nan 8.150 nan 0.000 0.444 141 I N -0.035 120.567 120.570 0.052 0.000 2.091 141 I HA -0.354 3.723 4.170 -0.155 0.000 0.240 141 I C 2.722 178.905 176.117 0.110 0.000 1.046 141 I CA 1.598 62.951 61.300 0.088 0.000 1.306 141 I CB -1.084 36.978 38.000 0.105 0.000 1.018 141 I HN 0.422 nan 8.210 nan 0.000 0.404 142 G N 0.251 109.138 108.800 0.145 0.000 2.491 142 G HA2 -0.328 3.539 3.960 -0.155 0.000 0.218 142 G HA3 -0.328 3.539 3.960 -0.155 0.000 0.218 142 G C 1.663 176.642 174.900 0.133 0.000 1.180 142 G CA 1.028 46.270 45.100 0.237 0.000 0.774 142 G HN 0.159 nan 8.290 nan 0.000 0.562 143 R N 0.920 121.460 120.500 0.067 0.000 2.189 143 R HA -0.202 4.045 4.340 -0.155 0.000 0.252 143 R C 2.888 179.138 176.300 -0.082 0.000 1.134 143 R CA 2.133 58.221 56.100 -0.021 0.000 0.954 143 R CB -1.151 29.119 30.300 -0.050 0.000 0.890 143 R HN 0.378 nan 8.270 nan 0.000 0.443 144 A N 0.352 123.140 122.820 -0.053 0.000 1.840 144 A HA -0.077 4.150 4.320 -0.155 0.000 0.214 144 A C 2.085 179.635 177.584 -0.056 0.000 1.198 144 A CA 1.583 53.595 52.037 -0.042 0.000 0.608 144 A CB -0.564 18.427 19.000 -0.015 0.000 0.839 144 A HN 0.274 nan 8.150 nan 0.000 0.443 145 I N 0.277 120.846 120.570 -0.001 0.000 2.236 145 I HA -0.309 3.768 4.170 -0.155 0.000 0.249 145 I C 2.322 178.326 176.117 -0.190 0.000 1.102 145 I CA 2.088 63.389 61.300 0.001 0.000 1.365 145 I CB -1.750 36.333 38.000 0.139 0.000 1.051 145 I HN 0.594 nan 8.210 nan 0.000 0.420 146 E N 1.646 121.611 120.200 -0.392 0.000 2.048 146 E HA -0.278 3.979 4.350 -0.155 0.000 0.202 146 E C 1.814 177.949 176.600 -0.775 0.000 1.021 146 E CA 2.072 57.945 56.400 -0.878 0.000 0.825 146 E CB 0.006 29.137 29.700 -0.948 0.000 0.756 146 E HN 0.468 nan 8.360 nan 0.000 0.454 147 D N 0.088 120.183 120.400 -0.508 0.000 2.133 147 D HA -0.212 4.335 4.640 -0.155 0.000 0.192 147 D C 1.970 178.023 176.300 -0.412 0.000 1.001 147 D CA 1.419 55.154 54.000 -0.442 0.000 0.844 147 D CB -0.274 40.455 40.800 -0.119 0.000 0.944 147 D HN 0.208 nan 8.370 nan 0.000 0.447 148 E N 0.515 120.556 120.200 -0.265 0.000 2.150 148 E HA -0.028 4.229 4.350 -0.155 0.000 0.193 148 E C 1.853 178.304 176.600 -0.248 0.000 0.985 148 E CA 1.009 57.312 56.400 -0.162 0.000 0.814 148 E CB -0.189 29.480 29.700 -0.051 0.000 0.752 148 E HN 0.215 nan 8.360 nan 0.000 0.466 149 A N 0.185 122.762 122.820 -0.405 0.000 2.016 149 A HA -0.053 4.174 4.320 -0.155 0.000 0.217 149 A C 2.151 179.302 177.584 -0.723 0.000 1.162 149 A CA 1.249 53.039 52.037 -0.411 0.000 0.662 149 A CB -0.322 18.502 19.000 -0.294 0.000 0.812 149 A HN 0.163 nan 8.150 nan 0.000 0.450 150 R N -1.494 118.291 120.500 -1.191 0.000 2.055 150 R HA -0.027 4.220 4.340 -0.155 0.000 0.228 150 R C 1.215 177.075 176.300 -0.734 0.000 1.143 150 R CA 1.681 56.941 56.100 -1.401 0.000 0.945 150 R CB -0.292 28.937 30.300 -1.785 0.000 0.841 150 R HN 0.407 nan 8.270 nan 0.000 0.429 151 F N -0.369 119.348 119.950 -0.389 0.000 2.789 151 F HA 0.296 4.730 4.527 -0.155 0.000 0.300 151 F C 1.941 177.638 175.800 -0.172 0.000 1.132 151 F CA 0.486 58.340 58.000 -0.244 0.000 1.404 151 F CB -0.066 38.806 39.000 -0.213 0.000 1.114 151 F HN 0.205 nan 8.300 nan 0.000 0.584 152 G N -0.598 108.184 108.800 -0.030 0.000 2.712 152 G HA2 -0.115 3.752 3.960 -0.155 0.000 0.212 152 G HA3 -0.115 3.752 3.960 -0.155 0.000 0.212 152 G C 1.813 176.706 174.900 -0.012 0.000 1.142 152 G CA -0.042 45.048 45.100 -0.017 0.000 0.789 152 G HN 0.246 nan 8.290 nan 0.000 0.535 153 R N -0.099 120.384 120.500 -0.028 0.000 2.153 153 R HA 0.189 4.436 4.340 -0.155 0.000 0.218 153 R C 2.215 178.532 176.300 0.029 0.000 1.072 153 R CA 0.322 56.428 56.100 0.009 0.000 0.990 153 R CB -0.165 30.146 30.300 0.018 0.000 0.889 153 R HN 0.385 nan 8.270 nan 0.000 0.452 154 I N 0.813 121.402 120.570 0.032 0.000 2.202 154 I HA -0.256 3.821 4.170 -0.155 0.000 0.242 154 I C 2.545 178.678 176.117 0.026 0.000 1.091 154 I CA 1.019 62.341 61.300 0.038 0.000 1.368 154 I CB -0.398 37.615 38.000 0.022 0.000 1.058 154 I HN 0.146 nan 8.210 nan 0.000 0.410 155 R N 1.063 121.572 120.500 0.015 0.000 2.280 155 R HA -0.119 4.128 4.340 -0.155 0.000 0.207 155 R C 1.085 177.389 176.300 0.008 0.000 1.043 155 R CA 1.384 57.489 56.100 0.010 0.000 1.006 155 R CB -0.391 29.915 30.300 0.010 0.000 0.885 155 R HN 0.441 nan 8.270 nan 0.000 0.467 156 D N -0.487 119.921 120.400 0.013 0.000 2.566 156 D HA 0.003 4.550 4.640 -0.155 0.000 0.253 156 D C 1.398 177.702 176.300 0.006 0.000 0.992 156 D CA 0.590 54.595 54.000 0.009 0.000 0.940 156 D CB 0.439 41.251 40.800 0.019 0.000 1.095 156 D HN 0.146 nan 8.370 nan 0.000 0.480 157 L N 0.704 121.939 121.223 0.020 0.000 2.614 157 L HA 0.109 4.356 4.340 -0.155 0.000 0.185 157 L C 2.071 178.959 176.870 0.030 0.000 1.098 157 L CA 0.374 55.225 54.840 0.019 0.000 0.852 157 L CB 0.020 42.097 42.059 0.031 0.000 1.213 157 L HN -0.197 nan 8.230 nan 0.000 0.491 158 E N 0.259 120.491 120.200 0.053 0.000 2.033 158 E HA -0.216 4.041 4.350 -0.155 0.000 0.199 158 E C 1.209 177.884 176.600 0.125 0.000 1.011 158 E CA 1.524 57.972 56.400 0.082 0.000 0.815 158 E CB -0.254 29.502 29.700 0.095 0.000 0.755 158 E HN 0.425 nan 8.360 nan 0.000 0.451 159 A N 1.270 124.171 122.820 0.134 0.000 2.640 159 A HA 0.041 4.268 4.320 -0.155 0.000 0.282 159 A C 1.503 179.152 177.584 0.109 0.000 1.357 159 A CA -0.222 51.936 52.037 0.202 0.000 0.946 159 A CB -0.055 19.017 19.000 0.119 0.000 1.065 159 A HN 0.001 nan 8.150 nan 0.000 0.541 160 K N 0.216 120.631 120.400 0.025 0.000 2.184 160 K HA -0.263 3.964 4.320 -0.155 0.000 0.210 160 K C 0.840 177.320 176.600 -0.200 0.000 1.048 160 K CA 2.253 58.470 56.287 -0.117 0.000 0.931 160 K CB -0.170 32.215 32.500 -0.191 0.000 0.718 160 K HN 0.736 nan 8.250 nan 0.000 0.465 161 H N -2.739 116.393 119.070 0.102 0.000 2.926 161 H HA 0.070 4.533 4.556 -0.155 0.000 0.249 161 H C 1.545 176.979 175.328 0.177 0.000 0.963 161 H CA 0.013 56.124 56.048 0.105 0.000 1.158 161 H CB -0.352 29.459 29.762 0.082 0.000 1.445 161 H HN 0.160 nan 8.280 nan 0.000 0.452 162 F N 2.318 122.341 119.950 0.121 0.000 2.307 162 F HA -0.207 4.227 4.527 -0.155 0.000 0.301 162 F C 2.224 178.060 175.800 0.060 0.000 1.076 162 F CA 0.679 58.723 58.000 0.074 0.000 1.383 162 F CB 0.397 39.424 39.000 0.046 0.000 1.055 162 F HN -0.046 nan 8.300 nan 0.000 0.526 163 K N 1.156 121.619 120.400 0.104 0.000 2.211 163 K HA -0.181 4.046 4.320 -0.155 0.000 0.204 163 K C 1.778 178.380 176.600 0.004 0.000 1.047 163 K CA 1.023 57.306 56.287 -0.008 0.000 0.935 163 K CB -0.183 32.330 32.500 0.022 0.000 0.728 163 K HN 0.045 nan 8.250 nan 0.000 0.452 164 K N 0.612 121.052 120.400 0.067 0.000 2.020 164 K HA -0.154 4.073 4.320 -0.155 0.000 0.212 164 K C 1.535 178.152 176.600 0.028 0.000 1.050 164 K CA 1.972 58.295 56.287 0.061 0.000 0.929 164 K CB -0.883 31.675 32.500 0.097 0.000 0.714 164 K HN 0.305 nan 8.250 nan 0.000 0.443 165 N N 0.485 119.197 118.700 0.020 0.000 2.519 165 N HA -0.090 4.557 4.740 -0.155 0.000 0.186 165 N C 1.649 177.138 175.510 -0.036 0.000 1.062 165 N CA 0.622 53.669 53.050 -0.006 0.000 0.910 165 N CB -0.229 38.263 38.487 0.008 0.000 0.958 165 N HN -0.019 nan 8.380 nan 0.000 0.445 166 V N 0.497 120.380 119.914 -0.052 0.000 2.398 166 V HA -0.041 3.986 4.120 -0.155 0.000 0.236 166 V C 1.963 178.111 176.094 0.090 0.000 1.054 166 V CA 0.728 63.067 62.300 0.064 0.000 1.060 166 V CB -0.681 31.121 31.823 -0.035 0.000 0.707 166 V HN 0.105 nan 8.190 nan 0.000 0.480 167 E N 0.482 120.702 120.200 0.035 0.000 2.240 167 E HA -0.396 3.861 4.350 -0.155 0.000 0.236 167 E C 2.048 178.622 176.600 -0.042 0.000 1.085 167 E CA 2.651 59.055 56.400 0.008 0.000 0.979 167 E CB -0.273 29.428 29.700 0.002 0.000 0.845 167 E HN 0.684 nan 8.360 nan 0.000 0.483 168 E N 0.313 120.485 120.200 -0.046 0.000 2.037 168 E HA -0.296 3.961 4.350 -0.155 0.000 0.214 168 E C 2.191 178.694 176.600 -0.161 0.000 1.041 168 E CA 1.871 58.225 56.400 -0.077 0.000 0.872 168 E CB -0.270 29.401 29.700 -0.047 0.000 0.785 168 E HN 0.312 nan 8.360 nan 0.000 0.476 169 Q N 0.181 119.843 119.800 -0.230 0.000 2.364 169 Q HA -0.095 4.152 4.340 -0.155 0.000 0.209 169 Q C 2.154 177.700 176.000 -0.757 0.000 0.977 169 Q CA 0.346 55.872 55.803 -0.462 0.000 0.885 169 Q CB 0.014 28.438 28.738 -0.523 0.000 0.941 169 Q HN 0.321 nan 8.270 nan 0.000 0.464 170 L N 0.230 121.118 121.223 -0.557 0.000 1.961 170 L HA -0.226 4.021 4.340 -0.155 0.000 0.209 170 L C 1.728 178.458 176.870 -0.235 0.000 1.075 170 L CA 1.516 56.123 54.840 -0.389 0.000 0.749 170 L CB -0.248 41.792 42.059 -0.031 0.000 0.890 170 L HN 0.276 nan 8.230 nan 0.000 0.433 171 N N -0.715 117.898 118.700 -0.145 0.000 2.094 171 N HA -0.247 4.400 4.740 -0.155 0.000 0.191 171 N C 1.715 177.153 175.510 -0.120 0.000 1.023 171 N CA 1.014 54.004 53.050 -0.100 0.000 0.857 171 N CB 0.004 38.448 38.487 -0.071 0.000 1.013 171 N HN 0.144 nan 8.380 nan 0.000 0.426 172 K N 0.993 121.300 120.400 -0.154 0.000 2.160 172 K HA -0.061 4.165 4.320 -0.155 0.000 0.206 172 K C 0.089 176.598 176.600 -0.152 0.000 1.047 172 K CA 0.880 57.080 56.287 -0.144 0.000 0.930 172 K CB -0.047 32.357 32.500 -0.160 0.000 0.720 172 K HN 0.165 nan 8.250 nan 0.000 0.450 173 R N 1.162 121.542 120.500 -0.199 0.000 2.316 173 R HA 0.154 4.401 4.340 -0.155 0.000 0.314 173 R C -0.123 176.110 176.300 -0.111 0.000 1.069 173 R CA -0.212 55.791 56.100 -0.162 0.000 0.959 173 R CB 0.146 30.335 30.300 -0.184 0.000 0.987 173 R HN -0.215 nan 8.270 nan 0.000 0.446 174 V N 1.057 120.892 119.914 -0.133 0.000 2.667 174 V HA 0.746 4.773 4.120 -0.155 0.000 0.308 174 V C 0.645 176.681 176.094 -0.097 0.000 1.048 174 V CA -0.545 61.692 62.300 -0.106 0.000 0.928 174 V CB 1.767 33.522 31.823 -0.114 0.000 1.004 174 V HN 0.940 nan 8.190 nan 0.000 0.444 175 G N 1.525 110.319 108.800 -0.009 0.000 3.295 175 G HA2 -0.182 3.685 3.960 -0.155 0.000 0.686 175 G HA3 -0.182 3.685 3.960 -0.155 0.000 0.686 175 G C 0.354 175.350 174.900 0.160 0.000 0.958 175 G CA 0.183 45.328 45.100 0.075 0.000 0.787 175 G HN 1.059 nan 8.290 nan 0.000 0.523 176 H N 1.314 120.412 119.070 0.047 0.000 2.304 176 H HA -0.241 4.222 4.556 -0.155 0.000 0.287 176 H C 2.734 178.084 175.328 0.036 0.000 1.112 176 H CA 2.956 59.003 56.048 -0.003 0.000 1.200 176 H CB -0.159 29.545 29.762 -0.098 0.000 1.349 176 H HN 0.515 nan 8.280 nan 0.000 0.477 177 V N 0.621 120.688 119.914 0.256 0.000 2.223 177 V HA -0.360 3.667 4.120 -0.155 0.000 0.246 177 V C 2.415 178.561 176.094 0.086 0.000 1.045 177 V CA 2.507 64.881 62.300 0.124 0.000 1.004 177 V CB -1.313 30.521 31.823 0.018 0.000 0.641 177 V HN 0.403 nan 8.190 nan 0.000 0.457 178 Y N 0.582 120.891 120.300 0.014 0.000 2.181 178 Y HA -0.250 4.208 4.550 -0.154 0.000 0.284 178 Y C 2.501 178.411 175.900 0.017 0.000 1.179 178 Y CA 1.574 59.678 58.100 0.006 0.000 1.179 178 Y CB -0.832 37.620 38.460 -0.013 0.000 0.973 178 Y HN 0.204 nan 8.280 nan 0.000 0.519 179 K N 0.286 120.791 120.400 0.175 0.000 2.103 179 K HA -0.241 3.986 4.320 -0.155 0.000 0.207 179 K C 2.174 178.793 176.600 0.031 0.000 1.048 179 K CA 1.614 57.950 56.287 0.082 0.000 0.930 179 K CB -0.172 32.322 32.500 -0.011 0.000 0.716 179 K HN 0.305 nan 8.250 nan 0.000 0.444 180 K N 0.415 120.821 120.400 0.011 0.000 2.076 180 K HA -0.046 4.181 4.320 -0.155 0.000 0.204 180 K C 2.025 178.576 176.600 -0.083 0.000 1.051 180 K CA 0.954 57.215 56.287 -0.043 0.000 0.949 180 K CB -0.055 32.485 32.500 0.067 0.000 0.726 180 K HN 0.070 nan 8.250 nan 0.000 0.443 181 A N 0.861 123.667 122.820 -0.023 0.000 1.948 181 A HA -0.211 4.016 4.320 -0.155 0.000 0.220 181 A C 1.978 179.557 177.584 -0.008 0.000 1.177 181 A CA 1.563 53.581 52.037 -0.031 0.000 0.636 181 A CB -0.810 18.161 19.000 -0.049 0.000 0.815 181 A HN 0.530 nan 8.150 nan 0.000 0.449 182 F N -0.216 119.650 119.950 -0.139 0.000 2.074 182 F HA -0.081 4.354 4.527 -0.154 0.000 0.293 182 F C 2.263 177.898 175.800 -0.274 0.000 1.116 182 F CA 1.755 59.657 58.000 -0.163 0.000 1.212 182 F CB -0.331 38.585 39.000 -0.140 0.000 0.998 182 F HN 0.088 nan 8.300 nan 0.000 0.471 183 M N 0.291 119.501 119.600 -0.650 0.000 2.279 183 M HA -0.212 4.175 4.480 -0.155 0.000 0.264 183 M C 2.208 177.924 176.300 -0.973 0.000 1.062 183 M CA 1.432 56.061 55.300 -1.119 0.000 1.099 183 M CB -1.188 30.440 32.600 -1.620 0.000 1.394 183 M HN 0.452 nan 8.290 nan 0.000 0.426 184 Q N 0.500 119.979 119.800 -0.536 0.000 2.123 184 Q HA -0.108 4.139 4.340 -0.155 0.000 0.199 184 Q C 1.834 177.758 176.000 -0.125 0.000 0.966 184 Q CA 1.758 57.495 55.803 -0.111 0.000 0.845 184 Q CB 0.075 28.821 28.738 0.012 0.000 0.907 184 Q HN 0.475 nan 8.270 nan 0.000 0.439 185 V N -2.173 117.624 119.914 -0.194 0.000 2.667 185 V HA -0.072 3.955 4.120 -0.155 0.000 0.252 185 V C 2.102 178.074 176.094 -0.203 0.000 1.065 185 V CA 1.064 63.275 62.300 -0.149 0.000 1.083 185 V CB -0.343 31.415 31.823 -0.109 0.000 0.692 185 V HN 0.153 nan 8.190 nan 0.000 0.468 186 V N 0.556 120.243 119.914 -0.378 0.000 2.488 186 V HA -0.163 3.864 4.120 -0.155 0.000 0.246 186 V C 2.681 178.655 176.094 -0.200 0.000 1.046 186 V CA 2.258 64.317 62.300 -0.403 0.000 1.053 186 V CB -0.343 31.050 31.823 -0.718 0.000 0.679 186 V HN 0.672 nan 8.190 nan 0.000 0.458 187 E N 0.402 120.512 120.200 -0.150 0.000 2.072 187 E HA -0.193 4.064 4.350 -0.155 0.000 0.191 187 E C 2.184 178.796 176.600 0.019 0.000 0.985 187 E CA 1.273 57.673 56.400 -0.000 0.000 0.801 187 E CB -0.204 29.576 29.700 0.133 0.000 0.750 187 E HN 0.553 nan 8.360 nan 0.000 0.452 188 A N 0.535 123.355 122.820 -0.001 0.000 2.121 188 A HA -0.162 4.065 4.320 -0.155 0.000 0.218 188 A C 1.721 179.315 177.584 0.016 0.000 1.154 188 A CA 1.696 53.740 52.037 0.012 0.000 0.679 188 A CB -0.134 18.867 19.000 0.001 0.000 0.795 188 A HN 0.284 nan 8.150 nan 0.000 0.458 189 D N -2.047 118.359 120.400 0.011 0.000 2.423 189 D HA 0.106 4.653 4.640 -0.155 0.000 0.212 189 D C 1.831 178.182 176.300 0.086 0.000 1.060 189 D CA 0.247 54.271 54.000 0.040 0.000 0.872 189 D CB -0.088 40.734 40.800 0.036 0.000 1.012 189 D HN 0.238 nan 8.370 nan 0.000 0.503 190 M N -0.059 119.595 119.600 0.090 0.000 2.123 190 M HA -0.022 4.365 4.480 -0.155 0.000 0.263 190 M C 1.774 178.133 176.300 0.098 0.000 1.069 190 M CA 0.960 56.350 55.300 0.150 0.000 1.133 190 M CB -0.097 32.582 32.600 0.132 0.000 1.356 190 M HN 0.111 nan 8.290 nan 0.000 0.415 191 L N -1.607 119.659 121.223 0.071 0.000 2.395 191 L HA -0.065 4.182 4.340 -0.155 0.000 0.218 191 L C 2.297 179.192 176.870 0.042 0.000 1.130 191 L CA 0.460 55.333 54.840 0.055 0.000 0.826 191 L CB -0.656 41.436 42.059 0.054 0.000 0.941 191 L HN 0.249 nan 8.230 nan 0.000 0.451 192 S N -0.645 115.080 115.700 0.042 0.000 2.561 192 S HA -0.013 4.363 4.470 -0.155 0.000 0.225 192 S C 1.548 176.163 174.600 0.025 0.000 0.977 192 S CA 0.950 59.169 58.200 0.032 0.000 0.926 192 S CB 0.206 63.425 63.200 0.032 0.000 0.769 192 S HN 0.442 nan 8.310 nan 0.000 0.533 193 K N -1.316 119.100 120.400 0.027 0.000 2.971 193 K HA 0.239 4.466 4.320 -0.155 0.000 0.223 193 K C 1.536 178.127 176.600 -0.015 0.000 1.864 193 K CA 0.322 56.610 56.287 0.002 0.000 1.245 193 K CB -0.668 31.829 32.500 -0.005 0.000 2.182 193 K HN 0.171 nan 8.250 nan 0.000 0.504 194 G N 2.601 111.393 108.800 -0.012 0.000 2.190 194 G HA2 -0.035 3.832 3.960 -0.155 0.000 0.295 194 G HA3 -0.035 3.832 3.960 -0.155 0.000 0.295 194 G C -0.138 174.766 174.900 0.007 0.000 1.507 194 G CA -0.108 44.976 45.100 -0.027 0.000 1.034 194 G HN 0.059 nan 8.290 nan 0.000 0.483 195 L N 0.075 121.317 121.223 0.032 0.000 2.456 195 L HA 0.410 4.657 4.340 -0.155 0.000 0.272 195 L C 0.152 177.047 176.870 0.042 0.000 1.189 195 L CA 0.143 55.004 54.840 0.035 0.000 0.846 195 L CB 0.520 42.607 42.059 0.047 0.000 1.111 195 L HN 0.261 nan 8.230 nan 0.000 0.475 196 L N 4.177 125.421 121.223 0.035 0.000 2.352 196 L HA 0.893 5.140 4.340 -0.155 0.000 0.269 196 L C 0.586 177.481 176.870 0.042 0.000 1.034 196 L CA -0.058 54.804 54.840 0.036 0.000 0.806 196 L CB 1.492 43.566 42.059 0.025 0.000 1.244 196 L HN 0.822 nan 8.230 nan 0.000 0.447 197 G N 0.152 108.979 108.800 0.044 0.000 2.441 197 G HA2 0.408 4.275 3.960 -0.155 0.000 0.225 197 G HA3 0.408 4.275 3.960 -0.155 0.000 0.225 197 G C -0.507 174.422 174.900 0.048 0.000 1.200 197 G CA 0.081 45.210 45.100 0.048 0.000 0.947 197 G HN 0.814 nan 8.290 nan 0.000 0.484 198 G N -1.437 107.397 108.800 0.057 0.000 3.345 198 G HA2 0.565 4.432 3.960 -0.155 0.000 0.202 198 G HA3 0.565 4.432 3.960 -0.155 0.000 0.202 198 G C 0.022 174.971 174.900 0.083 0.000 1.740 198 G CA 1.126 46.258 45.100 0.052 0.000 0.806 198 G HN 1.070 nan 8.290 nan 0.000 0.718 199 E N -0.619 119.635 120.200 0.090 0.000 2.622 199 E HA 0.146 4.403 4.350 -0.155 0.000 0.257 199 E C 0.257 176.906 176.600 0.082 0.000 1.058 199 E CA 0.087 56.589 56.400 0.170 0.000 0.976 199 E CB -0.172 29.602 29.700 0.124 0.000 1.096 199 E HN 0.522 nan 8.360 nan 0.000 0.414 200 A N 0.679 123.408 122.820 -0.151 0.000 2.088 200 A HA 0.012 4.239 4.320 -0.155 0.000 0.218 200 A C 0.330 177.468 177.584 -0.743 0.000 1.420 200 A CA 0.251 52.033 52.037 -0.425 0.000 1.371 200 A CB -1.146 17.567 19.000 -0.478 0.000 0.788 200 A HN 0.514 nan 8.150 nan 0.000 0.575 201 W N -2.611 118.697 121.300 0.014 0.000 2.714 201 W HA 0.224 4.791 4.660 -0.154 0.000 0.353 201 W C 2.059 178.582 176.519 0.006 0.000 0.999 201 W CA 0.328 57.641 57.345 -0.054 0.000 1.629 201 W CB -0.036 29.238 29.460 -0.310 0.000 1.106 201 W HN 0.318 nan 8.180 nan 0.000 0.545 202 S N 0.377 116.159 115.700 0.137 0.000 2.470 202 S HA -0.111 4.266 4.470 -0.155 0.000 0.225 202 S C 1.963 176.603 174.600 0.067 0.000 1.006 202 S CA 1.646 59.899 58.200 0.089 0.000 0.934 202 S CB -0.240 62.990 63.200 0.050 0.000 0.778 202 S HN 0.161 nan 8.310 nan 0.000 0.517 203 S N -1.036 114.700 115.700 0.059 0.000 2.496 203 S HA 0.069 4.446 4.470 -0.155 0.000 0.224 203 S C 0.310 174.954 174.600 0.072 0.000 0.996 203 S CA -0.338 57.876 58.200 0.022 0.000 0.927 203 S CB -0.680 62.514 63.200 -0.010 0.000 0.774 203 S HN 0.604 nan 8.310 nan 0.000 0.524 204 W N 4.120 125.367 121.300 -0.090 0.000 2.315 204 W HA 0.264 4.831 4.660 -0.155 0.000 0.482 204 W C 0.915 177.436 176.519 0.004 0.000 0.955 204 W CA -0.263 57.004 57.345 -0.131 0.000 1.803 204 W CB -1.107 28.265 29.460 -0.146 0.000 1.718 204 W HN 0.405 nan 8.180 nan 0.000 0.332 205 H N 2.567 121.657 119.070 0.034 0.000 2.771 205 H HA -0.047 4.416 4.556 -0.155 0.000 0.364 205 H C 1.885 177.222 175.328 0.015 0.000 1.133 205 H CA 0.329 56.396 56.048 0.031 0.000 1.423 205 H CB 1.140 30.911 29.762 0.015 0.000 1.425 205 H HN 0.380 nan 8.280 nan 0.000 0.606 206 K N 2.569 123.001 120.400 0.053 0.000 2.362 206 K HA -0.175 4.052 4.320 -0.155 0.000 0.202 206 K C 0.750 177.257 176.600 -0.155 0.000 1.045 206 K CA 1.606 57.863 56.287 -0.051 0.000 0.936 206 K CB 0.117 32.556 32.500 -0.102 0.000 0.747 206 K HN 0.621 nan 8.250 nan 0.000 0.467 207 E N 2.140 122.193 120.200 -0.244 0.000 2.028 207 E HA -0.162 4.095 4.350 -0.155 0.000 0.190 207 E C 1.540 177.840 176.600 -0.499 0.000 0.984 207 E CA 1.332 57.498 56.400 -0.390 0.000 0.800 207 E CB -0.467 29.095 29.700 -0.231 0.000 0.758 207 E HN 0.433 nan 8.360 nan 0.000 0.448 208 D N 1.387 121.718 120.400 -0.115 0.000 2.158 208 D HA -0.119 4.428 4.640 -0.155 0.000 0.197 208 D C 2.060 178.250 176.300 -0.183 0.000 0.995 208 D CA 1.358 55.316 54.000 -0.071 0.000 0.846 208 D CB -0.352 40.123 40.800 -0.541 0.000 0.941 208 D HN 0.003 nan 8.370 nan 0.000 0.456 209 S N -0.075 115.601 115.700 -0.040 0.000 2.356 209 S HA -0.081 4.296 4.470 -0.155 0.000 0.223 209 S C 1.954 176.596 174.600 0.069 0.000 1.032 209 S CA 0.478 58.771 58.200 0.155 0.000 1.005 209 S CB -0.061 63.237 63.200 0.164 0.000 0.867 209 S HN 0.213 nan 8.310 nan 0.000 0.449 210 I N 1.576 122.102 120.570 -0.074 0.000 2.286 210 I HA -0.145 3.932 4.170 -0.155 0.000 0.248 210 I C 2.231 178.348 176.117 -0.000 0.000 1.115 210 I CA 1.420 62.676 61.300 -0.074 0.000 1.392 210 I CB -1.575 36.324 38.000 -0.168 0.000 1.065 210 I HN 0.346 nan 8.210 nan 0.000 0.418 211 H N 0.751 119.859 119.070 0.063 0.000 2.267 211 H HA -0.106 4.357 4.556 -0.155 0.000 0.297 211 H C 2.573 177.975 175.328 0.123 0.000 1.080 211 H CA 1.496 57.593 56.048 0.081 0.000 1.278 211 H CB -0.842 28.973 29.762 0.089 0.000 1.365 211 H HN 0.108 nan 8.280 nan 0.000 0.489 212 V N 0.621 120.712 119.914 0.295 0.000 2.219 212 V HA -0.247 3.780 4.120 -0.155 0.000 0.248 212 V C 2.784 179.018 176.094 0.233 0.000 1.053 212 V CA 2.218 64.705 62.300 0.313 0.000 1.009 212 V CB -1.302 30.778 31.823 0.429 0.000 0.636 212 V HN 0.612 nan 8.190 nan 0.000 0.445 213 G N -1.018 107.898 108.800 0.194 0.000 2.516 213 G HA2 -0.163 3.704 3.960 -0.155 0.000 0.221 213 G HA3 -0.163 3.704 3.960 -0.155 0.000 0.221 213 G C 1.436 176.398 174.900 0.104 0.000 1.107 213 G CA 1.327 46.510 45.100 0.137 0.000 0.747 213 G HN 0.431 nan 8.290 nan 0.000 0.567 214 V N 0.005 119.984 119.914 0.108 0.000 2.581 214 V HA 0.078 4.105 4.120 -0.155 0.000 0.240 214 V C 2.572 178.704 176.094 0.064 0.000 1.054 214 V CA 1.256 63.604 62.300 0.080 0.000 1.076 214 V CB -0.097 31.776 31.823 0.084 0.000 0.748 214 V HN 0.296 nan 8.190 nan 0.000 0.474 215 R N 0.602 121.154 120.500 0.086 0.000 2.120 215 R HA -0.121 4.126 4.340 -0.155 0.000 0.234 215 R C 2.012 178.313 176.300 0.002 0.000 1.123 215 R CA 2.014 58.134 56.100 0.035 0.000 0.975 215 R CB -1.462 28.897 30.300 0.099 0.000 0.866 215 R HN 0.558 nan 8.270 nan 0.000 0.446 216 C N -0.195 119.146 119.300 0.068 0.000 2.491 216 C HA -0.015 4.352 4.460 -0.155 0.000 0.283 216 C C 2.535 177.539 174.990 0.024 0.000 1.238 216 C CA 0.897 59.953 59.018 0.063 0.000 1.735 216 C CB -1.103 26.705 27.740 0.113 0.000 2.080 216 C HN 0.528 nan 8.230 nan 0.000 0.463 217 I N 1.181 121.773 120.570 0.037 0.000 2.227 217 I HA -0.355 3.722 4.170 -0.155 0.000 0.250 217 I C 2.514 178.629 176.117 -0.003 0.000 1.087 217 I CA 1.885 63.201 61.300 0.026 0.000 1.352 217 I CB -0.821 37.198 38.000 0.032 0.000 1.043 217 I HN 0.545 nan 8.210 nan 0.000 0.425 218 E N 0.608 120.791 120.200 -0.029 0.000 2.058 218 E HA -0.244 4.013 4.350 -0.155 0.000 0.194 218 E C 2.334 178.877 176.600 -0.096 0.000 0.997 218 E CA 1.546 57.903 56.400 -0.071 0.000 0.801 218 E CB -0.184 29.442 29.700 -0.123 0.000 0.746 218 E HN 0.517 nan 8.360 nan 0.000 0.450 219 M N 0.210 119.738 119.600 -0.119 0.000 2.149 219 M HA -0.182 4.205 4.480 -0.155 0.000 0.261 219 M C 2.370 178.649 176.300 -0.036 0.000 1.064 219 M CA 0.905 56.139 55.300 -0.109 0.000 1.102 219 M CB -0.257 32.294 32.600 -0.082 0.000 1.369 219 M HN 0.129 nan 8.290 nan 0.000 0.408 220 L N 1.075 122.292 121.223 -0.010 0.000 1.988 220 L HA -0.111 4.136 4.340 -0.155 0.000 0.207 220 L C 2.085 178.964 176.870 0.016 0.000 1.071 220 L CA 1.911 56.762 54.840 0.018 0.000 0.744 220 L CB -0.493 41.585 42.059 0.032 0.000 0.893 220 L HN 0.198 nan 8.230 nan 0.000 0.433 221 I N -0.755 119.817 120.570 0.003 0.000 3.001 221 I HA -0.166 3.911 4.170 -0.155 0.000 0.268 221 I C 2.233 178.347 176.117 -0.005 0.000 1.267 221 I CA 0.727 62.027 61.300 -0.001 0.000 1.472 221 I CB -0.415 37.582 38.000 -0.006 0.000 1.089 221 I HN 0.387 nan 8.210 nan 0.000 0.468 222 E N 1.474 121.667 120.200 -0.012 0.000 2.011 222 E HA -0.192 4.065 4.350 -0.155 0.000 0.191 222 E C 2.373 178.979 176.600 0.009 0.000 0.980 222 E CA 1.664 58.057 56.400 -0.012 0.000 0.814 222 E CB -0.088 29.590 29.700 -0.038 0.000 0.775 222 E HN 0.396 nan 8.360 nan 0.000 0.454 223 S N -0.824 114.885 115.700 0.015 0.000 2.419 223 S HA -0.098 4.279 4.470 -0.155 0.000 0.233 223 S C 0.937 175.563 174.600 0.043 0.000 1.016 223 S CA 1.083 59.302 58.200 0.031 0.000 0.974 223 S CB -0.674 62.545 63.200 0.032 0.000 0.786 223 S HN 0.458 nan 8.310 nan 0.000 0.492 224 T N -4.198 110.385 114.554 0.047 0.000 2.864 224 T HA 0.683 4.940 4.350 -0.155 0.000 0.299 224 T C 0.380 175.105 174.700 0.042 0.000 1.166 224 T CA -0.307 61.838 62.100 0.075 0.000 1.007 224 T CB 1.337 70.277 68.868 0.121 0.000 1.219 224 T HN 0.147 nan 8.240 nan 0.000 0.506 225 G N 0.020 108.834 108.800 0.023 0.000 3.393 225 G HA2 0.202 4.069 3.960 -0.155 0.000 0.255 225 G HA3 0.202 4.069 3.960 -0.155 0.000 0.255 225 G C 1.026 175.799 174.900 -0.212 0.000 1.097 225 G CA 0.098 45.143 45.100 -0.091 0.000 0.780 225 G HN 0.831 nan 8.290 nan 0.000 0.540 226 M N 0.809 120.374 119.600 -0.058 0.000 2.116 226 M HA -0.106 4.281 4.480 -0.155 0.000 0.255 226 M C 0.613 176.870 176.300 -0.072 0.000 1.075 226 M CA 1.556 56.867 55.300 0.018 0.000 1.087 226 M CB 0.058 32.834 32.600 0.294 0.000 1.340 226 M HN 0.081 nan 8.290 nan 0.000 0.402 227 V N -1.221 118.668 119.914 -0.042 0.000 2.487 227 V HA 0.527 4.554 4.120 -0.155 0.000 0.298 227 V C -0.536 175.520 176.094 -0.064 0.000 1.028 227 V CA -0.990 61.282 62.300 -0.047 0.000 0.860 227 V CB 1.467 33.289 31.823 -0.001 0.000 0.991 227 V HN 0.110 nan 8.190 nan 0.000 0.427 228 S N 5.435 121.078 115.700 -0.094 0.000 2.452 228 S HA 0.573 4.950 4.470 -0.155 0.000 0.284 228 S C -0.360 174.215 174.600 -0.043 0.000 1.171 228 S CA -0.355 57.792 58.200 -0.087 0.000 1.064 228 S CB 1.231 64.348 63.200 -0.138 0.000 0.967 228 S HN 0.791 nan 8.310 nan 0.000 0.484 229 L N 5.994 127.224 121.223 0.012 0.000 2.328 229 L HA 0.333 4.580 4.340 -0.155 0.000 0.280 229 L C 0.044 176.995 176.870 0.135 0.000 1.111 229 L CA -0.065 54.817 54.840 0.070 0.000 0.909 229 L CB -1.080 41.004 42.059 0.042 0.000 1.277 229 L HN 0.820 nan 8.230 nan 0.000 0.433 230 H N 1.485 120.550 119.070 -0.009 0.000 2.616 230 H HA 0.734 5.197 4.556 -0.155 0.000 0.353 230 H C -0.351 174.974 175.328 -0.005 0.000 1.170 230 H CA -1.467 54.576 56.048 -0.008 0.000 1.212 230 H CB 1.093 30.849 29.762 -0.009 0.000 1.653 230 H HN 0.433 nan 8.280 nan 0.000 0.537 231 R N 1.559 121.972 120.500 -0.145 0.000 2.390 231 R HA 0.110 4.357 4.340 -0.155 0.000 0.291 231 R C -0.788 175.296 176.300 -0.360 0.000 1.070 231 R CA -0.331 55.651 56.100 -0.196 0.000 1.014 231 R CB 0.687 30.933 30.300 -0.091 0.000 1.007 231 R HN 0.640 nan 8.270 nan 0.000 0.466 232 Q N 3.505 123.143 119.800 -0.269 0.000 2.430 232 Q HA 0.204 4.451 4.340 -0.155 0.000 0.245 232 Q C -0.848 175.081 176.000 -0.118 0.000 1.021 232 Q CA -0.287 55.380 55.803 -0.227 0.000 0.867 232 Q CB 0.890 29.528 28.738 -0.167 0.000 1.210 232 Q HN 0.707 nan 8.270 nan 0.000 0.487 233 N N 0.574 119.216 118.700 -0.098 0.000 2.699 233 N HA -0.198 4.449 4.740 -0.155 0.000 0.257 233 N C -0.926 174.555 175.510 -0.048 0.000 1.077 233 N CA 0.795 53.811 53.050 -0.057 0.000 0.702 233 N CB -0.721 37.741 38.487 -0.042 0.000 0.886 233 N HN 0.637 nan 8.380 nan 0.000 0.549 234 A N 0.386 123.176 122.820 -0.049 0.000 2.492 234 A HA 0.567 4.794 4.320 -0.155 0.000 0.254 234 A C 1.571 179.140 177.584 -0.024 0.000 1.091 234 A CA 0.783 52.798 52.037 -0.036 0.000 0.768 234 A CB 0.106 19.086 19.000 -0.033 0.000 1.028 234 A HN 1.410 nan 8.150 nan 0.000 0.498 235 G N 1.099 109.887 108.800 -0.020 0.000 2.155 235 G HA2 0.074 3.941 3.960 -0.155 0.000 0.130 235 G HA3 0.074 3.941 3.960 -0.155 0.000 0.130 235 G C -0.264 174.627 174.900 -0.014 0.000 1.027 235 G CA -0.062 45.029 45.100 -0.015 0.000 0.705 235 G HN 1.424 nan 8.290 nan 0.000 0.496 236 V N 0.425 120.330 119.914 -0.016 0.000 2.735 236 V HA 0.537 4.564 4.120 -0.155 0.000 0.310 236 V C 1.390 177.476 176.094 -0.014 0.000 1.061 236 V CA -0.370 61.921 62.300 -0.015 0.000 0.913 236 V CB 1.796 33.609 31.823 -0.017 0.000 1.005 236 V HN 0.018 nan 8.190 nan 0.000 0.428 237 V N 2.537 122.444 119.914 -0.011 0.000 2.346 237 V HA 0.027 4.054 4.120 -0.155 0.000 0.244 237 V C 1.959 178.046 176.094 -0.011 0.000 1.037 237 V CA 2.119 64.413 62.300 -0.010 0.000 1.029 237 V CB -0.362 31.456 31.823 -0.008 0.000 0.663 237 V HN 1.036 nan 8.190 nan 0.000 0.454 238 G N -1.293 107.500 108.800 -0.011 0.000 3.702 238 G HA2 0.298 4.165 3.960 -0.155 0.000 0.288 238 G HA3 0.298 4.165 3.960 -0.155 0.000 0.288 238 G C 0.722 175.614 174.900 -0.013 0.000 1.193 238 G CA -0.015 45.079 45.100 -0.011 0.000 0.952 238 G HN 0.539 nan 8.290 nan 0.000 0.544 239 Q N -0.791 119.000 119.800 -0.016 0.000 2.181 239 Q HA 0.036 4.283 4.340 -0.155 0.000 0.244 239 Q C -0.047 175.936 176.000 -0.028 0.000 0.745 239 Q CA -0.428 55.362 55.803 -0.021 0.000 0.934 239 Q CB 0.754 29.480 28.738 -0.020 0.000 1.220 239 Q HN 0.283 nan 8.270 nan 0.000 0.478 240 D N 2.190 122.574 120.400 -0.027 0.000 2.482 240 D HA 0.063 4.610 4.640 -0.155 0.000 0.244 240 D C -0.973 175.309 176.300 -0.031 0.000 1.242 240 D CA 0.518 54.498 54.000 -0.033 0.000 1.097 240 D CB 0.232 41.016 40.800 -0.026 0.000 1.109 240 D HN -0.019 nan 8.370 nan 0.000 0.510 241 S N 2.525 118.201 115.700 -0.039 0.000 2.561 241 S HA 0.182 4.559 4.470 -0.155 0.000 0.303 241 S C -0.210 174.365 174.600 -0.041 0.000 1.110 241 S CA -0.824 57.357 58.200 -0.031 0.000 1.034 241 S CB 2.257 65.444 63.200 -0.023 0.000 1.010 241 S HN 0.444 nan 8.310 nan 0.000 0.482 242 E N 2.255 122.439 120.200 -0.027 0.000 2.290 242 E HA 0.362 4.619 4.350 -0.155 0.000 0.277 242 E C -0.135 176.465 176.600 0.000 0.000 1.035 242 E CA -0.089 56.297 56.400 -0.022 0.000 0.873 242 E CB 0.478 30.176 29.700 -0.004 0.000 1.029 242 E HN 0.693 nan 8.360 nan 0.000 0.419 243 T N 1.535 116.100 114.554 0.018 0.000 2.864 243 T HA 0.534 4.791 4.350 -0.155 0.000 0.289 243 T C -0.155 174.614 174.700 0.116 0.000 1.082 243 T CA -0.980 61.153 62.100 0.055 0.000 1.009 243 T CB 0.917 69.814 68.868 0.048 0.000 1.234 243 T HN 0.230 nan 8.240 nan 0.000 0.526 244 I N 0.962 121.585 120.570 0.089 0.000 2.498 244 I HA 0.567 4.644 4.170 -0.155 0.000 0.301 244 I C 0.209 176.364 176.117 0.062 0.000 0.984 244 I CA -0.559 60.786 61.300 0.074 0.000 1.204 244 I CB 1.618 39.645 38.000 0.045 0.000 1.362 244 I HN 0.891 nan 8.210 nan 0.000 0.471 245 E N 4.010 124.214 120.200 0.007 0.000 2.331 245 E HA 0.336 4.593 4.350 -0.155 0.000 0.275 245 E C -1.751 174.818 176.600 -0.051 0.000 0.895 245 E CA -0.829 55.546 56.400 -0.042 0.000 0.753 245 E CB 2.894 32.493 29.700 -0.169 0.000 1.216 245 E HN 0.381 nan 8.360 nan 0.000 0.434 246 L N 3.207 124.415 121.223 -0.025 0.000 2.367 246 L HA 0.435 4.682 4.340 -0.155 0.000 0.275 246 L C -0.239 176.602 176.870 -0.049 0.000 1.129 246 L CA 0.192 55.027 54.840 -0.009 0.000 0.839 246 L CB 0.869 42.949 42.059 0.036 0.000 1.133 246 L HN 0.647 nan 8.230 nan 0.000 0.453 247 A N 7.066 129.832 122.820 -0.091 0.000 2.540 247 A HA 0.185 4.412 4.320 -0.155 0.000 0.264 247 A C -1.434 176.094 177.584 -0.094 0.000 1.080 247 A CA -0.573 51.358 52.037 -0.177 0.000 0.776 247 A CB -0.731 18.012 19.000 -0.428 0.000 1.011 247 A HN 0.836 nan 8.150 nan 0.000 0.514 248 P HA -0.232 nan 4.420 nan 0.000 0.218 248 P C 0.959 178.268 177.300 0.014 0.000 1.150 248 P CA 1.851 64.937 63.100 -0.022 0.000 0.841 248 P CB 0.242 31.922 31.700 -0.033 0.000 0.784 249 E N -1.701 118.493 120.200 -0.011 0.000 2.031 249 E HA -0.181 4.076 4.350 -0.155 0.000 0.193 249 E C 2.064 178.818 176.600 0.257 0.000 0.994 249 E CA 1.319 57.766 56.400 0.078 0.000 0.800 249 E CB -1.083 28.635 29.700 0.031 0.000 0.752 249 E HN 0.481 nan 8.360 nan 0.000 0.447 250 Y N 0.042 120.349 120.300 0.011 0.000 2.373 250 Y HA -0.077 4.380 4.550 -0.155 0.000 0.293 250 Y C 2.367 178.284 175.900 0.029 0.000 1.129 250 Y CA -0.046 58.067 58.100 0.021 0.000 1.226 250 Y CB -0.043 38.431 38.460 0.023 0.000 1.000 250 Y HN 0.097 nan 8.280 nan 0.000 0.549 251 A N 0.620 123.551 122.820 0.186 0.000 1.933 251 A HA -0.200 4.027 4.320 -0.155 0.000 0.218 251 A C 1.929 179.575 177.584 0.103 0.000 1.175 251 A CA 1.562 53.673 52.037 0.124 0.000 0.628 251 A CB -0.475 18.574 19.000 0.082 0.000 0.814 251 A HN 0.449 nan 8.150 nan 0.000 0.444 252 E N -0.312 119.944 120.200 0.093 0.000 2.150 252 E HA -0.083 4.174 4.350 -0.155 0.000 0.193 252 E C 2.332 178.963 176.600 0.053 0.000 0.985 252 E CA 0.732 57.170 56.400 0.063 0.000 0.814 252 E CB -0.256 29.476 29.700 0.053 0.000 0.752 252 E HN 0.627 nan 8.360 nan 0.000 0.466 253 A N 1.452 124.315 122.820 0.071 0.000 1.883 253 A HA -0.206 4.021 4.320 -0.155 0.000 0.217 253 A C 2.143 179.741 177.584 0.023 0.000 1.186 253 A CA 1.176 53.231 52.037 0.030 0.000 0.624 253 A CB -0.571 18.428 19.000 -0.001 0.000 0.822 253 A HN 0.122 nan 8.150 nan 0.000 0.444 254 I N -0.588 120.016 120.570 0.057 0.000 2.094 254 I HA -0.260 3.817 4.170 -0.155 0.000 0.234 254 I C 3.025 179.171 176.117 0.049 0.000 1.063 254 I CA 1.071 62.419 61.300 0.080 0.000 1.328 254 I CB -0.553 37.538 38.000 0.151 0.000 1.058 254 I HN 0.360 nan 8.210 nan 0.000 0.400 255 A N 0.171 123.030 122.820 0.064 0.000 2.009 255 A HA -0.289 3.938 4.320 -0.155 0.000 0.222 255 A C 2.294 179.855 177.584 -0.038 0.000 1.175 255 A CA 2.833 54.884 52.037 0.023 0.000 0.651 255 A CB -1.220 17.805 19.000 0.041 0.000 0.815 255 A HN 0.510 nan 8.150 nan 0.000 0.459 256 T N -1.385 113.151 114.554 -0.030 0.000 2.809 256 T HA -0.045 4.212 4.350 -0.155 0.000 0.260 256 T C 2.141 176.787 174.700 -0.090 0.000 1.039 256 T CA 0.969 63.033 62.100 -0.059 0.000 1.141 256 T CB -0.210 68.635 68.868 -0.039 0.000 0.869 256 T HN 0.343 nan 8.240 nan 0.000 0.437 257 R N 1.577 122.038 120.500 -0.066 0.000 2.105 257 R HA 0.070 4.317 4.340 -0.155 0.000 0.239 257 R C 2.431 178.659 176.300 -0.122 0.000 1.135 257 R CA 1.644 57.700 56.100 -0.074 0.000 0.967 257 R CB -0.951 29.331 30.300 -0.030 0.000 0.861 257 R HN 0.419 nan 8.270 nan 0.000 0.442 258 A N -0.435 122.305 122.820 -0.133 0.000 1.930 258 A HA -0.003 4.224 4.320 -0.155 0.000 0.217 258 A C 2.340 179.716 177.584 -0.348 0.000 1.175 258 A CA 1.572 53.490 52.037 -0.198 0.000 0.627 258 A CB -0.969 17.776 19.000 -0.424 0.000 0.815 258 A HN 0.454 nan 8.150 nan 0.000 0.443 259 G N -0.159 108.488 108.800 -0.255 0.000 2.511 259 G HA2 -0.054 3.813 3.960 -0.155 0.000 0.216 259 G HA3 -0.054 3.813 3.960 -0.155 0.000 0.216 259 G C 1.796 176.491 174.900 -0.342 0.000 1.218 259 G CA 1.689 46.632 45.100 -0.262 0.000 0.788 259 G HN 0.860 nan 8.290 nan 0.000 0.560 260 A N -0.196 122.453 122.820 -0.285 0.000 2.024 260 A HA 0.068 4.295 4.320 -0.155 0.000 0.220 260 A C 2.386 179.765 177.584 -0.343 0.000 1.164 260 A CA 1.529 53.398 52.037 -0.280 0.000 0.643 260 A CB -0.347 18.536 19.000 -0.194 0.000 0.806 260 A HN 0.320 nan 8.150 nan 0.000 0.451 261 L N -0.374 120.580 121.223 -0.448 0.000 1.976 261 L HA -0.081 4.166 4.340 -0.155 0.000 0.209 261 L C 2.873 179.233 176.870 -0.850 0.000 1.071 261 L CA 2.013 56.504 54.840 -0.581 0.000 0.746 261 L CB -0.999 40.683 42.059 -0.628 0.000 0.890 261 L HN 0.371 nan 8.230 nan 0.000 0.432 262 A N -0.915 121.081 122.820 -1.374 0.000 2.255 262 A HA -0.106 4.121 4.320 -0.155 0.000 0.218 262 A C 1.951 179.341 177.584 -0.324 0.000 1.175 262 A CA 1.494 52.947 52.037 -0.973 0.000 0.682 262 A CB -1.170 17.448 19.000 -0.636 0.000 0.784 262 A HN 0.502 nan 8.150 nan 0.000 0.482 263 G N -1.397 107.216 108.800 -0.311 0.000 3.277 263 G HA2 0.406 4.273 3.960 -0.155 0.000 0.243 263 G HA3 0.406 4.273 3.960 -0.155 0.000 0.243 263 G C 0.673 175.531 174.900 -0.070 0.000 1.107 263 G CA 0.221 45.236 45.100 -0.142 0.000 0.771 263 G HN 0.464 nan 8.290 nan 0.000 0.544 264 I N 0.072 120.602 120.570 -0.066 0.000 4.050 264 I HA 0.198 4.275 4.170 -0.155 0.000 0.327 264 I C 0.428 176.583 176.117 0.063 0.000 1.473 264 I CA 0.103 61.412 61.300 0.015 0.000 1.124 264 I CB 1.226 39.216 38.000 -0.017 0.000 1.129 264 I HN -0.098 nan 8.210 nan 0.000 0.428 265 S N 4.192 119.924 115.700 0.054 0.000 2.514 265 S HA 0.292 4.669 4.470 -0.155 0.000 0.179 265 S C -2.273 172.312 174.600 -0.025 0.000 1.409 265 S CA -1.004 57.220 58.200 0.040 0.000 1.138 265 S CB 0.257 63.511 63.200 0.090 0.000 1.217 265 S HN 0.127 nan 8.310 nan 0.000 0.493 266 P HA 0.193 nan 4.420 nan 0.000 0.275 266 P C -0.676 176.242 177.300 -0.636 0.000 1.227 266 P CA -0.358 62.448 63.100 -0.490 0.000 0.781 266 P CB 0.689 31.822 31.700 -0.945 0.000 0.906 267 M N 3.200 122.530 119.600 -0.451 0.000 2.206 267 M HA 0.232 4.619 4.480 -0.155 0.000 0.353 267 M C -0.406 175.769 176.300 -0.208 0.000 1.242 267 M CA -0.542 54.615 55.300 -0.239 0.000 1.179 267 M CB -0.342 32.196 32.600 -0.103 0.000 1.374 267 M HN 0.204 nan 8.290 nan 0.000 0.427 268 F N 2.959 122.911 119.950 0.003 0.000 2.519 268 F HA 0.079 4.515 4.527 -0.152 0.000 0.375 268 F C 1.152 177.084 175.800 0.220 0.000 1.084 268 F CA 0.423 58.456 58.000 0.054 0.000 1.147 268 F CB -0.012 39.023 39.000 0.059 0.000 1.088 268 F HN 0.494 nan 8.300 nan 0.000 0.555 269 Q N 4.918 125.002 119.800 0.473 0.000 2.239 269 Q HA 0.480 4.727 4.340 -0.155 0.000 0.193 269 Q C -2.203 174.045 176.000 0.413 0.000 1.004 269 Q CA -1.694 54.374 55.803 0.441 0.000 1.040 269 Q CB 0.886 29.864 28.738 0.400 0.000 1.149 269 Q HN 0.261 nan 8.270 nan 0.000 0.535 270 P HA 0.329 nan 4.420 nan 0.000 0.317 270 P C -1.115 176.095 177.300 -0.150 0.000 1.301 270 P CA -0.482 62.637 63.100 0.031 0.000 0.799 270 P CB 0.769 32.387 31.700 -0.137 0.000 1.344 271 C N -0.950 118.193 119.300 -0.262 0.000 2.399 271 C HA 0.361 4.728 4.460 -0.155 0.000 0.348 271 C C 1.901 176.844 174.990 -0.078 0.000 1.183 271 C CA -0.384 58.550 59.018 -0.140 0.000 2.023 271 C CB 0.849 28.544 27.740 -0.075 0.000 2.361 271 C HN 0.318 nan 8.230 nan 0.000 0.521 272 V N 1.167 121.094 119.914 0.022 0.000 3.354 272 V HA 0.075 4.102 4.120 -0.155 0.000 0.258 272 V C 0.557 176.789 176.094 0.230 0.000 1.159 272 V CA 0.716 63.084 62.300 0.112 0.000 1.125 272 V CB -0.492 31.393 31.823 0.105 0.000 0.774 272 V HN 0.834 nan 8.190 nan 0.000 0.464 273 V N -3.591 116.320 119.914 -0.005 0.000 2.733 273 V HA 0.654 4.681 4.120 -0.155 0.000 0.306 273 V C -3.137 172.433 176.094 -0.873 0.000 1.084 273 V CA -2.877 58.985 62.300 -0.731 0.000 0.905 273 V CB 1.981 33.238 31.823 -0.944 0.000 1.010 273 V HN 0.035 nan 8.190 nan 0.000 0.424 274 P HA 0.027 nan 4.420 nan 0.000 0.265 274 P C -2.547 174.566 177.300 -0.311 0.000 1.151 274 P CA 0.395 62.705 63.100 -1.317 0.000 0.755 274 P CB -0.309 30.656 31.700 -1.225 0.000 0.756 275 P HA -0.002 nan 4.420 nan 0.000 0.271 275 P C -0.303 176.790 177.300 -0.346 0.000 1.238 275 P CA 0.016 63.022 63.100 -0.156 0.000 0.794 275 P CB 0.359 31.976 31.700 -0.138 0.000 0.959 276 K N 2.817 122.563 120.400 -1.090 0.000 2.262 276 K HA 0.192 4.419 4.320 -0.155 0.000 0.288 276 K C -2.255 173.853 176.600 -0.820 0.000 1.090 276 K CA -1.753 53.605 56.287 -1.549 0.000 0.918 276 K CB -0.558 30.695 32.500 -2.079 0.000 1.139 276 K HN 0.246 nan 8.250 nan 0.000 0.462 277 P HA -0.184 nan 4.420 nan 0.000 0.272 277 P C -1.120 175.990 177.300 -0.317 0.000 1.194 277 P CA 0.599 63.554 63.100 -0.241 0.000 0.777 277 P CB 0.291 31.942 31.700 -0.082 0.000 0.814 278 W N 1.250 122.559 121.300 0.016 0.000 2.332 278 W HA 0.228 4.797 4.660 -0.151 0.000 0.306 278 W C 1.198 177.784 176.519 0.112 0.000 1.149 278 W CA 0.146 57.556 57.345 0.108 0.000 1.271 278 W CB 0.245 29.838 29.460 0.222 0.000 1.243 278 W HN 0.267 nan 8.180 nan 0.000 0.459 279 T N 1.686 116.368 114.554 0.212 0.000 3.054 279 T HA 0.356 4.613 4.350 -0.155 0.000 0.259 279 T C 0.649 175.352 174.700 0.004 0.000 1.092 279 T CA 0.891 63.008 62.100 0.029 0.000 1.121 279 T CB 0.024 68.901 68.868 0.016 0.000 0.912 279 T HN 0.677 nan 8.240 nan 0.000 0.489 280 G N 0.168 109.235 108.800 0.444 0.000 2.333 280 G HA2 0.301 4.168 3.960 -0.155 0.000 0.330 280 G HA3 0.301 4.168 3.960 -0.155 0.000 0.330 280 G C -0.063 175.120 174.900 0.470 0.000 1.465 280 G CA -0.674 44.787 45.100 0.601 0.000 0.996 280 G HN -0.076 nan 8.290 nan 0.000 0.655 281 I N -0.926 119.859 120.570 0.358 0.000 4.719 281 I HA -0.362 3.715 4.170 -0.155 0.000 0.057 281 I C 1.788 178.093 176.117 0.314 0.000 0.630 281 I CA 3.460 64.912 61.300 0.253 0.000 0.587 281 I CB -1.846 36.283 38.000 0.215 0.000 0.560 281 I HN 1.803 nan 8.210 nan 0.000 0.165 282 T N -3.183 111.569 114.554 0.330 0.000 2.626 282 T HA 0.596 4.853 4.350 -0.155 0.000 0.279 282 T C 0.826 175.706 174.700 0.301 0.000 0.983 282 T CA 0.613 62.948 62.100 0.391 0.000 1.059 282 T CB 1.629 70.652 68.868 0.259 0.000 1.396 282 T HN 1.717 nan 8.240 nan 0.000 0.519 283 G N -0.515 108.399 108.800 0.189 0.000 2.199 283 G HA2 -0.011 3.856 3.960 -0.155 0.000 0.254 283 G HA3 -0.011 3.856 3.960 -0.155 0.000 0.254 283 G C 0.689 175.452 174.900 -0.228 0.000 0.982 283 G CA 0.401 45.516 45.100 0.024 0.000 0.632 283 G HN 1.359 nan 8.290 nan 0.000 0.529 284 G N -1.038 107.437 108.800 -0.541 0.000 2.599 284 G HA2 0.608 4.475 3.960 -0.155 0.000 0.264 284 G HA3 0.608 4.475 3.960 -0.155 0.000 0.264 284 G C 1.447 175.522 174.900 -1.374 0.000 1.200 284 G CA 1.487 45.431 45.100 -1.928 0.000 0.896 284 G HN 1.851 nan 8.290 nan 0.000 0.536 285 G N -0.286 107.712 108.800 -1.337 0.000 2.720 285 G HA2 -0.288 3.579 3.960 -0.155 0.000 0.293 285 G HA3 -0.288 3.579 3.960 -0.155 0.000 0.293 285 G C 0.638 175.298 174.900 -0.399 0.000 1.256 285 G CA 0.551 45.365 45.100 -0.477 0.000 0.974 285 G HN 0.864 nan 8.290 nan 0.000 0.551 286 Y N 0.346 120.512 120.300 -0.225 0.000 2.546 286 Y HA 0.260 4.715 4.550 -0.157 0.000 0.351 286 Y C 1.661 177.412 175.900 -0.249 0.000 1.266 286 Y CA 0.607 58.641 58.100 -0.111 0.000 1.487 286 Y CB 0.290 38.794 38.460 0.072 0.000 1.365 286 Y HN 0.521 nan 8.280 nan 0.000 0.642 287 W N 0.310 121.697 121.300 0.145 0.000 2.601 287 W HA 0.255 4.822 4.660 -0.154 0.000 0.292 287 W C 1.241 177.841 176.519 0.135 0.000 1.153 287 W CA 0.741 58.145 57.345 0.098 0.000 1.448 287 W CB -0.816 28.694 29.460 0.083 0.000 1.113 287 W HN 0.553 nan 8.180 nan 0.000 0.548 288 A N 1.141 124.195 122.820 0.391 0.000 2.557 288 A HA -0.137 4.090 4.320 -0.155 0.000 0.257 288 A C 0.301 178.032 177.584 0.245 0.000 1.148 288 A CA 0.729 52.942 52.037 0.293 0.000 0.850 288 A CB -0.405 18.764 19.000 0.282 0.000 1.089 288 A HN 0.455 nan 8.150 nan 0.000 0.525 289 N N -0.534 118.298 118.700 0.220 0.000 2.699 289 N HA 0.340 4.987 4.740 -0.155 0.000 0.317 289 N C 0.378 176.007 175.510 0.199 0.000 1.661 289 N CA -0.059 53.101 53.050 0.183 0.000 0.979 289 N CB 0.589 39.164 38.487 0.146 0.000 1.329 289 N HN 0.878 nan 8.380 nan 0.000 0.497 290 G N 0.322 109.292 108.800 0.283 0.000 2.630 290 G HA2 -0.066 3.801 3.960 -0.155 0.000 0.236 290 G HA3 -0.066 3.801 3.960 -0.155 0.000 0.236 290 G C 0.711 175.738 174.900 0.211 0.000 1.248 290 G CA -0.355 44.972 45.100 0.377 0.000 0.844 290 G HN 0.359 nan 8.290 nan 0.000 0.588 291 R N 0.527 121.035 120.500 0.013 0.000 4.464 291 R HA 0.140 4.387 4.340 -0.155 0.000 0.229 291 R C 0.639 176.966 176.300 0.045 0.000 1.916 291 R CA -0.172 55.910 56.100 -0.030 0.000 1.601 291 R CB -0.404 29.805 30.300 -0.153 0.000 1.315 291 R HN 0.457 nan 8.270 nan 0.000 0.725 292 R N -0.413 120.210 120.500 0.205 0.000 2.413 292 R HA 0.201 4.448 4.340 -0.155 0.000 0.245 292 R C -2.766 173.692 176.300 0.263 0.000 0.978 292 R CA -1.284 54.967 56.100 0.253 0.000 1.112 292 R CB -0.531 29.994 30.300 0.376 0.000 1.342 292 R HN 0.040 nan 8.270 nan 0.000 0.704 293 P HA -0.044 nan 4.420 nan 0.000 0.268 293 P C -0.355 177.080 177.300 0.224 0.000 1.189 293 P CA 0.266 63.487 63.100 0.201 0.000 0.771 293 P CB 0.531 32.331 31.700 0.167 0.000 0.822 294 L N 1.292 122.667 121.223 0.253 0.000 2.292 294 L HA 0.508 4.755 4.340 -0.155 0.000 0.284 294 L C 0.643 177.764 176.870 0.419 0.000 1.065 294 L CA -0.790 54.243 54.840 0.322 0.000 0.806 294 L CB 0.985 43.300 42.059 0.428 0.000 1.175 294 L HN 0.397 nan 8.230 nan 0.000 0.431 295 A N 2.566 125.535 122.820 0.247 0.000 2.310 295 A HA 0.337 4.564 4.320 -0.155 0.000 0.299 295 A C 0.692 178.239 177.584 -0.062 0.000 1.147 295 A CA -0.558 51.577 52.037 0.164 0.000 0.818 295 A CB 1.013 20.081 19.000 0.114 0.000 1.096 295 A HN 0.823 nan 8.150 nan 0.000 0.495 296 L N 2.997 124.097 121.223 -0.204 0.000 2.043 296 L HA -0.072 4.175 4.340 -0.155 0.000 0.212 296 L C 0.359 177.022 176.870 -0.345 0.000 1.075 296 L CA 1.947 56.406 54.840 -0.636 0.000 0.752 296 L CB -0.055 41.755 42.059 -0.415 0.000 0.891 296 L HN 0.453 nan 8.230 nan 0.000 0.432 297 V N 0.142 120.015 119.914 -0.069 0.000 2.540 297 V HA 0.350 4.377 4.120 -0.155 0.000 0.302 297 V C -0.006 176.150 176.094 0.104 0.000 1.035 297 V CA -0.784 61.567 62.300 0.084 0.000 0.873 297 V CB 1.645 33.665 31.823 0.328 0.000 0.992 297 V HN 0.084 nan 8.190 nan 0.000 0.428 298 R N 2.809 123.352 120.500 0.072 0.000 2.309 298 R HA 0.472 4.719 4.340 -0.155 0.000 0.331 298 R C -0.180 176.140 176.300 0.032 0.000 1.116 298 R CA 0.116 56.236 56.100 0.033 0.000 0.970 298 R CB 0.314 30.600 30.300 -0.023 0.000 1.024 298 R HN 0.870 nan 8.270 nan 0.000 0.472 299 T N 0.128 114.682 114.554 0.000 0.000 2.907 299 T HA 0.287 4.544 4.350 -0.155 0.000 0.290 299 T C 0.805 175.428 174.700 -0.129 0.000 1.066 299 T CA -0.999 61.028 62.100 -0.122 0.000 1.012 299 T CB 1.505 70.371 68.868 -0.003 0.000 1.184 299 T HN 0.501 nan 8.240 nan 0.000 0.522 300 H N 1.141 120.243 119.070 0.054 0.000 2.266 300 H HA 0.100 4.562 4.556 -0.156 0.000 0.308 300 H C 0.957 176.285 175.328 -0.001 0.000 1.057 300 H CA 0.876 56.937 56.048 0.020 0.000 1.330 300 H CB -0.477 29.271 29.762 -0.023 0.000 1.400 300 H HN 0.575 nan 8.280 nan 0.000 0.503 301 S N 1.977 117.748 115.700 0.120 0.000 2.480 301 S HA 0.172 4.549 4.470 -0.155 0.000 0.286 301 S C 1.152 175.753 174.600 0.001 0.000 1.180 301 S CA -0.871 57.350 58.200 0.035 0.000 1.075 301 S CB 2.907 66.105 63.200 -0.003 0.000 0.996 301 S HN 0.281 nan 8.310 nan 0.000 0.487 302 K N 3.003 123.404 120.400 0.001 0.000 2.089 302 K HA -0.262 3.965 4.320 -0.155 0.000 0.210 302 K C 1.984 178.560 176.600 -0.039 0.000 1.048 302 K CA 2.003 58.287 56.287 -0.005 0.000 0.926 302 K CB -0.280 32.219 32.500 -0.001 0.000 0.714 302 K HN 0.840 nan 8.250 nan 0.000 0.448 303 K N -0.284 120.078 120.400 -0.063 0.000 2.097 303 K HA -0.074 4.153 4.320 -0.155 0.000 0.206 303 K C 2.013 178.509 176.600 -0.173 0.000 1.049 303 K CA 1.360 57.581 56.287 -0.109 0.000 0.933 303 K CB -0.348 32.081 32.500 -0.118 0.000 0.717 303 K HN 0.111 nan 8.250 nan 0.000 0.442 304 A N 1.731 124.453 122.820 -0.163 0.000 2.019 304 A HA -0.100 4.127 4.320 -0.155 0.000 0.219 304 A C 2.163 179.594 177.584 -0.255 0.000 1.164 304 A CA 1.402 53.295 52.037 -0.241 0.000 0.644 304 A CB -0.520 18.392 19.000 -0.145 0.000 0.805 304 A HN 0.449 nan 8.150 nan 0.000 0.449 305 L N -1.555 119.599 121.223 -0.116 0.000 2.109 305 L HA -0.031 4.216 4.340 -0.155 0.000 0.207 305 L C 2.063 178.906 176.870 -0.044 0.000 1.086 305 L CA 1.772 56.597 54.840 -0.025 0.000 0.760 305 L CB -0.480 41.609 42.059 0.051 0.000 0.910 305 L HN 0.219 nan 8.230 nan 0.000 0.437 306 M N 0.446 119.994 119.600 -0.088 0.000 2.213 306 M HA -0.115 4.272 4.480 -0.155 0.000 0.263 306 M C 2.194 178.410 176.300 -0.141 0.000 1.062 306 M CA 1.398 56.656 55.300 -0.070 0.000 1.105 306 M CB -1.112 31.444 32.600 -0.073 0.000 1.385 306 M HN 0.402 nan 8.290 nan 0.000 0.417 307 R N -1.542 118.749 120.500 -0.348 0.000 2.371 307 R HA -0.163 4.084 4.340 -0.155 0.000 0.226 307 R C 1.547 177.678 176.300 -0.280 0.000 1.132 307 R CA 1.201 56.978 56.100 -0.539 0.000 1.027 307 R CB -0.806 28.782 30.300 -1.186 0.000 0.848 307 R HN 0.444 nan 8.270 nan 0.000 0.479 308 Y N 0.595 120.868 120.300 -0.045 0.000 2.396 308 Y HA 0.027 4.484 4.550 -0.156 0.000 0.292 308 Y C 2.251 178.188 175.900 0.060 0.000 1.128 308 Y CA -0.338 57.790 58.100 0.046 0.000 1.194 308 Y CB 0.213 38.685 38.460 0.020 0.000 1.124 308 Y HN 0.015 nan 8.280 nan 0.000 0.543 309 E N 0.568 120.900 120.200 0.221 0.000 2.434 309 E HA -0.339 3.918 4.350 -0.155 0.000 0.245 309 E C 0.276 176.972 176.600 0.160 0.000 1.097 309 E CA 2.198 58.696 56.400 0.163 0.000 1.123 309 E CB -0.248 29.510 29.700 0.097 0.000 0.977 309 E HN 0.522 nan 8.360 nan 0.000 0.480 310 D N -0.084 120.400 120.400 0.140 0.000 2.491 310 D HA 0.099 4.646 4.640 -0.155 0.000 0.228 310 D C -0.284 176.118 176.300 0.172 0.000 1.183 310 D CA 0.021 54.100 54.000 0.131 0.000 0.827 310 D CB 0.560 41.413 40.800 0.089 0.000 0.989 310 D HN -0.063 nan 8.370 nan 0.000 0.494 311 V N 0.995 121.038 119.914 0.216 0.000 2.743 311 V HA 0.182 4.209 4.120 -0.155 0.000 0.301 311 V C -0.220 176.034 176.094 0.266 0.000 1.057 311 V CA -0.856 61.584 62.300 0.232 0.000 1.006 311 V CB 1.326 33.287 31.823 0.231 0.000 1.024 311 V HN 0.053 nan 8.190 nan 0.000 0.473 312 Y N 5.166 125.526 120.300 0.100 0.000 2.361 312 Y HA 0.769 5.228 4.550 -0.152 0.000 0.332 312 Y C -0.036 175.913 175.900 0.083 0.000 1.101 312 Y CA -1.878 56.279 58.100 0.094 0.000 1.137 312 Y CB 1.537 40.037 38.460 0.068 0.000 1.207 312 Y HN 0.712 nan 8.280 nan 0.000 0.463 313 M N 6.365 125.735 119.600 -0.383 0.000 2.716 313 M HA 0.200 4.587 4.480 -0.155 0.000 0.120 313 M C -3.089 173.094 176.300 -0.195 0.000 0.886 313 M CA -0.991 54.099 55.300 -0.350 0.000 0.659 313 M CB 1.020 33.502 32.600 -0.197 0.000 3.009 313 M HN 0.221 nan 8.290 nan 0.000 0.307 314 P HA 0.101 nan 4.420 nan 0.000 0.224 314 P C 1.059 178.337 177.300 -0.037 0.000 1.159 314 P CA 0.927 63.959 63.100 -0.114 0.000 0.824 314 P CB 0.292 31.885 31.700 -0.178 0.000 0.833 315 E N 0.217 120.362 120.200 -0.091 0.000 2.097 315 E HA -0.112 4.145 4.350 -0.155 0.000 0.196 315 E C 1.999 178.580 176.600 -0.032 0.000 1.000 315 E CA 1.269 57.644 56.400 -0.042 0.000 0.804 315 E CB -0.752 28.918 29.700 -0.050 0.000 0.740 315 E HN 0.101 nan 8.360 nan 0.000 0.454 316 V N 0.028 119.911 119.914 -0.053 0.000 2.283 316 V HA -0.228 3.799 4.120 -0.155 0.000 0.243 316 V C 2.118 178.165 176.094 -0.079 0.000 1.039 316 V CA 1.566 63.820 62.300 -0.077 0.000 1.016 316 V CB -0.890 30.869 31.823 -0.107 0.000 0.650 316 V HN 0.164 nan 8.190 nan 0.000 0.449 317 Y N 0.883 121.140 120.300 -0.072 0.000 2.256 317 Y HA -0.230 4.230 4.550 -0.151 0.000 0.288 317 Y C 2.463 178.353 175.900 -0.017 0.000 1.155 317 Y CA 1.785 59.867 58.100 -0.031 0.000 1.203 317 Y CB -0.368 38.087 38.460 -0.009 0.000 0.980 317 Y HN 0.225 nan 8.280 nan 0.000 0.530 318 K N -0.515 119.948 120.400 0.105 0.000 1.991 318 K HA -0.079 4.148 4.320 -0.155 0.000 0.207 318 K C 2.416 178.994 176.600 -0.038 0.000 1.045 318 K CA 0.946 57.252 56.287 0.031 0.000 0.937 318 K CB -0.572 31.932 32.500 0.006 0.000 0.720 318 K HN 0.187 nan 8.250 nan 0.000 0.438 319 A N 2.184 124.964 122.820 -0.066 0.000 1.883 319 A HA -0.301 3.926 4.320 -0.155 0.000 0.222 319 A C 2.046 179.537 177.584 -0.155 0.000 1.339 319 A CA 2.311 54.271 52.037 -0.129 0.000 0.692 319 A CB -1.133 17.801 19.000 -0.110 0.000 0.845 319 A HN 0.217 nan 8.150 nan 0.000 0.467 320 I N 0.294 120.796 120.570 -0.113 0.000 2.074 320 I HA -0.326 3.751 4.170 -0.155 0.000 0.238 320 I C 2.284 178.383 176.117 -0.030 0.000 1.037 320 I CA 2.120 63.367 61.300 -0.088 0.000 1.301 320 I CB -2.009 35.937 38.000 -0.090 0.000 1.016 320 I HN 0.432 nan 8.210 nan 0.000 0.400 321 N N 0.811 119.550 118.700 0.066 0.000 2.043 321 N HA -0.175 4.472 4.740 -0.155 0.000 0.193 321 N C 1.856 177.327 175.510 -0.066 0.000 1.037 321 N CA 1.330 54.417 53.050 0.061 0.000 0.851 321 N CB -0.234 38.312 38.487 0.099 0.000 1.027 321 N HN 0.204 nan 8.380 nan 0.000 0.422 322 I N 1.838 122.322 120.570 -0.142 0.000 2.052 322 I HA -0.249 3.828 4.170 -0.155 0.000 0.235 322 I C 2.513 178.501 176.117 -0.215 0.000 1.046 322 I CA 0.991 62.150 61.300 -0.235 0.000 1.308 322 I CB -1.687 36.101 38.000 -0.354 0.000 1.031 322 I HN 0.061 nan 8.210 nan 0.000 0.395 323 A N -0.253 122.373 122.820 -0.324 0.000 1.948 323 A HA -0.308 3.919 4.320 -0.155 0.000 0.220 323 A C 2.328 179.642 177.584 -0.449 0.000 1.177 323 A CA 2.229 54.020 52.037 -0.411 0.000 0.636 323 A CB -0.908 17.783 19.000 -0.515 0.000 0.815 323 A HN 0.660 nan 8.150 nan 0.000 0.449 324 Q N -0.819 118.743 119.800 -0.397 0.000 2.297 324 Q HA -0.167 4.080 4.340 -0.155 0.000 0.204 324 Q C 1.674 177.723 176.000 0.083 0.000 0.962 324 Q CA 1.469 57.153 55.803 -0.199 0.000 0.879 324 Q CB -0.179 28.563 28.738 0.006 0.000 0.947 324 Q HN 0.661 nan 8.270 nan 0.000 0.462 325 N N -0.113 118.621 118.700 0.057 0.000 2.396 325 N HA -0.035 4.612 4.740 -0.155 0.000 0.180 325 N C -0.457 175.276 175.510 0.372 0.000 1.028 325 N CA 0.688 53.819 53.050 0.135 0.000 0.893 325 N CB 0.109 38.620 38.487 0.040 0.000 0.967 325 N HN 0.108 nan 8.380 nan 0.000 0.440 326 T N 0.832 115.554 114.554 0.280 0.000 2.849 326 T HA 0.157 4.414 4.350 -0.155 0.000 0.289 326 T C 0.017 174.848 174.700 0.220 0.000 1.010 326 T CA 0.153 62.387 62.100 0.224 0.000 1.161 326 T CB 0.500 69.473 68.868 0.175 0.000 0.989 326 T HN 0.228 nan 8.240 nan 0.000 0.523 327 A N 3.704 126.518 122.820 -0.011 0.000 2.276 327 A HA 0.660 4.887 4.320 -0.155 0.000 0.316 327 A C -0.840 176.499 177.584 -0.408 0.000 1.229 327 A CA -0.867 50.890 52.037 -0.467 0.000 0.851 327 A CB 0.511 19.411 19.000 -0.165 0.000 1.165 327 A HN 0.833 nan 8.150 nan 0.000 0.513 328 W N 1.178 122.094 121.300 -0.641 0.000 2.850 328 W HA 0.682 5.242 4.660 -0.166 0.000 0.349 328 W C -0.038 176.234 176.519 -0.411 0.000 1.133 328 W CA -0.396 56.719 57.345 -0.384 0.000 1.117 328 W CB 1.688 31.000 29.460 -0.247 0.000 1.442 328 W HN 0.701 nan 8.180 nan 0.000 0.575 329 K N 0.848 121.277 120.400 0.048 0.000 2.508 329 K HA 0.570 4.797 4.320 -0.155 0.000 0.260 329 K C -1.001 175.637 176.600 0.064 0.000 0.949 329 K CA -1.041 55.239 56.287 -0.012 0.000 0.834 329 K CB 1.883 34.367 32.500 -0.025 0.000 1.365 329 K HN 0.152 nan 8.250 nan 0.000 0.437 330 I N 2.379 122.990 120.570 0.069 0.000 2.710 330 I HA -0.070 4.007 4.170 -0.155 0.000 0.286 330 I C 0.421 176.592 176.117 0.091 0.000 1.181 330 I CA -0.036 61.332 61.300 0.113 0.000 1.430 330 I CB 0.154 38.243 38.000 0.148 0.000 1.367 330 I HN 0.758 nan 8.210 nan 0.000 0.577 331 N N 6.617 125.364 118.700 0.078 0.000 3.303 331 N HA 0.029 4.676 4.740 -0.155 0.000 0.304 331 N C 1.139 176.691 175.510 0.069 0.000 1.302 331 N CA -0.005 53.074 53.050 0.049 0.000 1.213 331 N CB 0.024 38.506 38.487 -0.009 0.000 1.481 331 N HN 0.432 nan 8.380 nan 0.000 0.546 332 K N 0.339 120.796 120.400 0.095 0.000 2.192 332 K HA -0.311 3.916 4.320 -0.155 0.000 0.214 332 K C 1.278 177.973 176.600 0.158 0.000 1.046 332 K CA 1.959 58.315 56.287 0.116 0.000 0.937 332 K CB 0.112 32.680 32.500 0.114 0.000 0.734 332 K HN 0.387 nan 8.250 nan 0.000 0.473 333 K N 0.461 120.988 120.400 0.212 0.000 1.973 333 K HA -0.089 4.138 4.320 -0.155 0.000 0.210 333 K C 2.119 178.959 176.600 0.400 0.000 1.045 333 K CA 1.333 57.849 56.287 0.382 0.000 0.937 333 K CB -0.592 32.324 32.500 0.693 0.000 0.721 333 K HN -0.110 nan 8.250 nan 0.000 0.438 334 V N 2.005 122.024 119.914 0.176 0.000 2.277 334 V HA -0.307 3.720 4.120 -0.155 0.000 0.253 334 V C 2.266 178.437 176.094 0.129 0.000 1.067 334 V CA 2.005 64.334 62.300 0.049 0.000 1.047 334 V CB -0.465 31.271 31.823 -0.145 0.000 0.649 334 V HN 0.316 nan 8.190 nan 0.000 0.447 335 L N 0.218 121.495 121.223 0.090 0.000 2.017 335 L HA -0.133 4.114 4.340 -0.155 0.000 0.208 335 L C 2.310 179.256 176.870 0.127 0.000 1.073 335 L CA 2.064 56.946 54.840 0.071 0.000 0.745 335 L CB -0.493 41.595 42.059 0.048 0.000 0.894 335 L HN 0.286 nan 8.230 nan 0.000 0.432 336 A N -1.301 121.612 122.820 0.154 0.000 2.248 336 A HA -0.010 4.217 4.320 -0.155 0.000 0.210 336 A C 1.947 179.651 177.584 0.200 0.000 1.174 336 A CA 1.158 53.288 52.037 0.155 0.000 0.750 336 A CB -0.710 18.372 19.000 0.137 0.000 0.780 336 A HN 0.370 nan 8.150 nan 0.000 0.478 337 V N -0.451 119.616 119.914 0.256 0.000 2.273 337 V HA -0.155 3.872 4.120 -0.155 0.000 0.242 337 V C 3.007 179.325 176.094 0.373 0.000 1.035 337 V CA 1.733 64.234 62.300 0.335 0.000 1.013 337 V CB -1.311 30.740 31.823 0.380 0.000 0.652 337 V HN 0.539 nan 8.190 nan 0.000 0.452 338 A N 0.478 123.530 122.820 0.386 0.000 1.940 338 A HA -0.265 3.962 4.320 -0.155 0.000 0.219 338 A C 1.921 179.633 177.584 0.214 0.000 1.176 338 A CA 2.232 54.473 52.037 0.340 0.000 0.631 338 A CB -0.904 18.149 19.000 0.088 0.000 0.814 338 A HN 0.572 nan 8.150 nan 0.000 0.446 339 N N -0.751 118.046 118.700 0.162 0.000 2.588 339 N HA -0.049 4.598 4.740 -0.155 0.000 0.190 339 N C 1.159 176.770 175.510 0.169 0.000 1.094 339 N CA 1.117 54.244 53.050 0.129 0.000 0.921 339 N CB -0.026 38.523 38.487 0.102 0.000 0.959 339 N HN 0.348 nan 8.380 nan 0.000 0.448 340 V N -0.003 120.047 119.914 0.227 0.000 3.050 340 V HA 0.045 4.072 4.120 -0.155 0.000 0.223 340 V C 1.995 178.285 176.094 0.327 0.000 1.162 340 V CA 0.391 62.853 62.300 0.271 0.000 1.247 340 V CB -0.403 31.570 31.823 0.250 0.000 1.125 340 V HN 0.134 nan 8.190 nan 0.000 0.508 341 I N 1.128 121.882 120.570 0.306 0.000 2.151 341 I HA -0.248 3.829 4.170 -0.155 0.000 0.243 341 I C 2.533 178.823 176.117 0.288 0.000 1.080 341 I CA 2.406 63.882 61.300 0.294 0.000 1.339 341 I CB -1.598 36.548 38.000 0.243 0.000 1.039 341 I HN 0.532 nan 8.210 nan 0.000 0.409 342 T N 0.584 115.291 114.554 0.255 0.000 2.946 342 T HA -0.161 4.096 4.350 -0.155 0.000 0.271 342 T C 1.459 176.229 174.700 0.118 0.000 1.104 342 T CA 1.414 63.617 62.100 0.173 0.000 1.114 342 T CB -0.688 68.250 68.868 0.115 0.000 0.867 342 T HN 0.686 nan 8.240 nan 0.000 0.513 343 K N -0.780 119.702 120.400 0.136 0.000 2.504 343 K HA 0.134 4.361 4.320 -0.155 0.000 0.199 343 K C -0.262 176.288 176.600 -0.083 0.000 1.028 343 K CA -0.306 55.980 56.287 -0.001 0.000 1.164 343 K CB -0.163 32.302 32.500 -0.057 0.000 0.877 343 K HN 0.526 nan 8.250 nan 0.000 0.508 344 W N 1.744 123.065 121.300 0.036 0.000 1.408 344 W HA 0.399 4.965 4.660 -0.156 0.000 0.292 344 W C -0.781 175.766 176.519 0.047 0.000 0.873 344 W CA -0.455 56.912 57.345 0.037 0.000 2.325 344 W CB 1.001 30.485 29.460 0.040 0.000 1.280 344 W HN -0.134 nan 8.180 nan 0.000 0.508 345 K N -0.760 119.772 120.400 0.220 0.000 2.738 345 K HA 0.016 4.243 4.320 -0.155 0.000 0.278 345 K C -0.027 176.674 176.600 0.169 0.000 1.069 345 K CA -0.629 55.783 56.287 0.209 0.000 0.942 345 K CB 0.771 33.385 32.500 0.190 0.000 1.381 345 K HN -0.109 nan 8.250 nan 0.000 0.399 346 H N 0.019 119.130 119.070 0.069 0.000 2.352 346 H HA -0.053 4.410 4.556 -0.156 0.000 0.299 346 H C 0.455 175.823 175.328 0.066 0.000 1.097 346 H CA 1.506 57.586 56.048 0.054 0.000 1.311 346 H CB 0.327 30.111 29.762 0.037 0.000 1.377 346 H HN 0.322 nan 8.280 nan 0.000 0.504 347 C N 1.525 120.943 119.300 0.196 0.000 2.455 347 C HA 0.268 4.635 4.460 -0.155 0.000 0.321 347 C C -1.585 173.481 174.990 0.128 0.000 1.102 347 C CA -2.036 57.071 59.018 0.147 0.000 1.413 347 C CB 0.367 28.174 27.740 0.112 0.000 1.952 347 C HN 0.265 nan 8.230 nan 0.000 0.428 348 P HA -0.129 nan 4.420 nan 0.000 0.222 348 P C 0.609 177.913 177.300 0.006 0.000 1.139 348 P CA 1.476 64.659 63.100 0.137 0.000 0.790 348 P CB 0.099 31.986 31.700 0.312 0.000 0.757 349 V N -2.206 117.720 119.914 0.020 0.000 3.172 349 V HA 0.153 4.180 4.120 -0.155 0.000 0.343 349 V C 1.580 177.647 176.094 -0.045 0.000 1.429 349 V CA -0.088 62.170 62.300 -0.070 0.000 1.149 349 V CB 0.369 32.143 31.823 -0.082 0.000 1.106 349 V HN -0.020 nan 8.190 nan 0.000 0.526 350 E N 0.997 121.192 120.200 -0.008 0.000 2.030 350 E HA 0.063 4.320 4.350 -0.155 0.000 0.189 350 E C 0.029 176.613 176.600 -0.027 0.000 0.974 350 E CA 0.906 57.300 56.400 -0.009 0.000 0.807 350 E CB 0.338 30.048 29.700 0.016 0.000 0.771 350 E HN 0.426 nan 8.360 nan 0.000 0.451 351 D N 0.203 120.589 120.400 -0.024 0.000 2.462 351 D HA 0.387 4.934 4.640 -0.155 0.000 0.245 351 D C -0.662 175.611 176.300 -0.046 0.000 1.122 351 D CA -0.171 53.810 54.000 -0.032 0.000 0.864 351 D CB 1.060 41.850 40.800 -0.017 0.000 1.098 351 D HN -0.010 nan 8.370 nan 0.000 0.541 352 I N 3.368 123.899 120.570 -0.066 0.000 2.447 352 I HA 0.196 4.273 4.170 -0.155 0.000 0.287 352 I C -1.894 174.183 176.117 -0.067 0.000 1.023 352 I CA -1.989 59.262 61.300 -0.082 0.000 1.083 352 I CB 2.235 40.157 38.000 -0.129 0.000 1.245 352 I HN 0.024 nan 8.210 nan 0.000 0.434 353 P HA -0.088 nan 4.420 nan 0.000 0.148 353 P C -0.419 176.858 177.300 -0.040 0.000 0.756 353 P CA 0.402 63.477 63.100 -0.043 0.000 1.236 353 P CB -0.259 31.415 31.700 -0.045 0.000 1.438 354 A N 3.403 126.203 122.820 -0.033 0.000 2.311 354 A HA 0.760 4.987 4.320 -0.155 0.000 0.334 354 A C 0.180 177.754 177.584 -0.016 0.000 1.139 354 A CA -0.841 51.181 52.037 -0.025 0.000 0.830 354 A CB 1.107 20.091 19.000 -0.027 0.000 1.234 354 A HN 0.362 nan 8.150 nan 0.000 0.483 373 A N 0.492 123.160 122.820 -0.252 0.000 1.993 373 A HA 0.179 4.406 4.320 -0.155 0.000 0.202 373 A C 1.679 179.038 177.584 -0.375 0.000 1.461 373 A CA 0.309 52.107 52.037 -0.398 0.000 0.824 373 A CB -0.048 18.884 19.000 -0.113 0.000 1.024 373 A HN 0.215 nan 8.150 nan 0.000 0.507 374 L N 0.955 122.114 121.223 -0.107 0.000 1.976 374 L HA -0.119 4.128 4.340 -0.155 0.000 0.209 374 L C 2.578 179.424 176.870 -0.041 0.000 1.071 374 L CA 2.360 57.201 54.840 0.001 0.000 0.746 374 L CB -1.413 40.660 42.059 0.025 0.000 0.890 374 L HN 0.503 nan 8.230 nan 0.000 0.432 375 T N -2.489 112.018 114.554 -0.077 0.000 3.093 375 T HA -0.043 4.214 4.350 -0.155 0.000 0.270 375 T C 1.306 175.935 174.700 -0.118 0.000 1.170 375 T CA 0.982 63.037 62.100 -0.076 0.000 1.072 375 T CB -0.380 68.442 68.868 -0.077 0.000 0.863 375 T HN 0.398 nan 8.240 nan 0.000 0.562 376 A N -0.319 122.382 122.820 -0.197 0.000 1.933 376 A HA 0.417 4.644 4.320 -0.155 0.000 0.198 376 A C 1.760 179.282 177.584 -0.102 0.000 1.617 376 A CA -0.387 51.499 52.037 -0.251 0.000 1.039 376 A CB -0.654 18.042 19.000 -0.507 0.000 1.066 376 A HN 0.579 nan 8.150 nan 0.000 0.484 377 W N 0.375 121.670 121.300 -0.008 0.000 2.436 377 W HA 0.034 4.600 4.660 -0.155 0.000 0.284 377 W C 1.837 178.354 176.519 -0.004 0.000 1.225 377 W CA 1.097 58.438 57.345 -0.006 0.000 1.271 377 W CB 0.260 29.717 29.460 -0.005 0.000 1.114 377 W HN 0.110 nan 8.180 nan 0.000 0.559 378 K N 0.602 121.115 120.400 0.189 0.000 2.444 378 K HA 0.034 4.261 4.320 -0.155 0.000 0.193 378 K C 1.761 178.405 176.600 0.074 0.000 1.024 378 K CA 0.321 56.678 56.287 0.117 0.000 1.077 378 K CB -0.141 32.409 32.500 0.085 0.000 0.833 378 K HN -0.040 nan 8.250 nan 0.000 0.517 379 R N -0.522 120.012 120.500 0.056 0.000 2.055 379 R HA 0.029 4.276 4.340 -0.155 0.000 0.226 379 R C 1.793 178.118 176.300 0.042 0.000 1.135 379 R CA 1.396 57.510 56.100 0.023 0.000 0.959 379 R CB -0.190 30.098 30.300 -0.020 0.000 0.854 379 R HN 0.136 nan 8.270 nan 0.000 0.431 380 A N 0.553 123.416 122.820 0.072 0.000 2.014 380 A HA 0.064 4.291 4.320 -0.155 0.000 0.218 380 A C 2.245 179.877 177.584 0.080 0.000 1.163 380 A CA 1.202 53.284 52.037 0.076 0.000 0.652 380 A CB -0.476 18.591 19.000 0.111 0.000 0.808 380 A HN 0.534 nan 8.150 nan 0.000 0.449 381 A N 0.214 123.090 122.820 0.094 0.000 1.902 381 A HA 0.139 4.366 4.320 -0.155 0.000 0.217 381 A C 2.471 180.106 177.584 0.086 0.000 1.181 381 A CA 1.935 54.020 52.037 0.081 0.000 0.623 381 A CB -0.989 18.058 19.000 0.078 0.000 0.818 381 A HN 1.050 nan 8.150 nan 0.000 0.443 382 A N -0.132 122.737 122.820 0.082 0.000 1.978 382 A HA 0.125 4.352 4.320 -0.155 0.000 0.220 382 A C 2.415 180.059 177.584 0.100 0.000 1.170 382 A CA 2.142 54.239 52.037 0.100 0.000 0.636 382 A CB -0.969 18.067 19.000 0.060 0.000 0.810 382 A HN 0.994 nan 8.150 nan 0.000 0.448 383 A N -0.175 122.683 122.820 0.062 0.000 1.821 383 A HA -0.058 4.169 4.320 -0.155 0.000 0.215 383 A C 2.018 179.635 177.584 0.055 0.000 1.216 383 A CA 2.024 54.082 52.037 0.036 0.000 0.615 383 A CB -1.418 17.598 19.000 0.027 0.000 0.862 383 A HN 0.752 nan 8.150 nan 0.000 0.450 384 V N -0.713 119.240 119.914 0.064 0.000 2.842 384 V HA -0.353 3.674 4.120 -0.155 0.000 0.267 384 V C 2.087 178.263 176.094 0.136 0.000 1.144 384 V CA 2.356 64.698 62.300 0.071 0.000 1.156 384 V CB -1.746 30.115 31.823 0.062 0.000 0.731 384 V HN 0.663 nan 8.190 nan 0.000 0.509 385 Y N 1.136 121.428 120.300 -0.015 0.000 2.163 385 Y HA -0.148 4.310 4.550 -0.153 0.000 0.288 385 Y C 2.950 178.834 175.900 -0.026 0.000 1.112 385 Y CA 1.513 59.601 58.100 -0.020 0.000 1.104 385 Y CB -0.040 38.406 38.460 -0.023 0.000 1.016 385 Y HN 0.088 nan 8.280 nan 0.000 0.497 386 R N 1.406 121.732 120.500 -0.290 0.000 2.122 386 R HA -0.293 3.954 4.340 -0.155 0.000 0.236 386 R C 2.352 178.526 176.300 -0.211 0.000 1.129 386 R CA 2.571 58.440 56.100 -0.385 0.000 0.925 386 R CB -0.608 29.561 30.300 -0.219 0.000 0.850 386 R HN 0.283 nan 8.270 nan 0.000 0.431 387 K N -0.213 120.125 120.400 -0.103 0.000 2.385 387 K HA -0.239 3.988 4.320 -0.155 0.000 0.202 387 K C 1.279 177.845 176.600 -0.056 0.000 1.044 387 K CA 2.060 58.309 56.287 -0.062 0.000 0.933 387 K CB -0.204 32.278 32.500 -0.030 0.000 0.744 387 K HN 0.481 nan 8.250 nan 0.000 0.479 388 D N -0.334 120.032 120.400 -0.056 0.000 2.417 388 D HA -0.051 4.496 4.640 -0.155 0.000 0.207 388 D C 1.527 177.794 176.300 -0.054 0.000 1.075 388 D CA 0.185 54.167 54.000 -0.029 0.000 0.851 388 D CB 0.334 41.157 40.800 0.038 0.000 0.976 388 D HN 0.174 nan 8.370 nan 0.000 0.505 389 K N 0.749 121.056 120.400 -0.156 0.000 2.007 389 K HA -0.039 4.188 4.320 -0.155 0.000 0.206 389 K C 2.089 178.632 176.600 -0.095 0.000 1.047 389 K CA 1.242 57.425 56.287 -0.173 0.000 0.937 389 K CB -0.023 32.277 32.500 -0.334 0.000 0.718 389 K HN 0.023 nan 8.250 nan 0.000 0.438 390 A N 1.805 124.566 122.820 -0.099 0.000 1.841 390 A HA -0.220 4.007 4.320 -0.155 0.000 0.216 390 A C 2.095 179.666 177.584 -0.020 0.000 1.199 390 A CA 1.864 53.867 52.037 -0.057 0.000 0.621 390 A CB -0.915 18.049 19.000 -0.059 0.000 0.835 390 A HN 0.489 nan 8.150 nan 0.000 0.445 391 R N -0.196 120.293 120.500 -0.018 0.000 2.316 391 R HA -0.236 4.011 4.340 -0.155 0.000 0.257 391 R C 1.876 178.210 176.300 0.058 0.000 1.198 391 R CA 2.136 58.243 56.100 0.011 0.000 1.026 391 R CB -0.193 30.089 30.300 -0.030 0.000 0.872 391 R HN 0.611 nan 8.270 nan 0.000 0.482 392 K N -0.658 119.763 120.400 0.035 0.000 2.399 392 K HA 0.009 4.236 4.320 -0.155 0.000 0.196 392 K C 1.876 178.496 176.600 0.034 0.000 1.117 392 K CA 0.721 57.046 56.287 0.064 0.000 0.965 392 K CB 0.211 32.743 32.500 0.054 0.000 0.983 392 K HN 0.185 nan 8.250 nan 0.000 0.531 393 S N 0.720 116.424 115.700 0.007 0.000 2.371 393 S HA -0.068 4.309 4.470 -0.155 0.000 0.224 393 S C 1.965 176.572 174.600 0.012 0.000 1.029 393 S CA 0.457 58.656 58.200 -0.001 0.000 0.978 393 S CB -0.229 62.958 63.200 -0.021 0.000 0.833 393 S HN 0.278 nan 8.310 nan 0.000 0.466 394 R N 0.589 121.099 120.500 0.017 0.000 2.159 394 R HA 0.017 4.264 4.340 -0.155 0.000 0.237 394 R C 2.527 178.851 176.300 0.040 0.000 1.131 394 R CA 1.482 57.598 56.100 0.027 0.000 0.982 394 R CB -0.198 30.120 30.300 0.030 0.000 0.868 394 R HN 0.467 nan 8.270 nan 0.000 0.453 395 R N 0.329 120.860 120.500 0.052 0.000 2.246 395 R HA 0.042 4.289 4.340 -0.155 0.000 0.199 395 R C 1.675 177.990 176.300 0.024 0.000 0.984 395 R CA 0.474 56.601 56.100 0.045 0.000 1.015 395 R CB 0.127 30.460 30.300 0.056 0.000 0.930 395 R HN 0.055 nan 8.270 nan 0.000 0.475 396 I N 0.797 121.380 120.570 0.023 0.000 2.315 396 I HA -0.170 3.907 4.170 -0.155 0.000 0.248 396 I C 2.130 178.266 176.117 0.033 0.000 1.117 396 I CA 1.548 62.855 61.300 0.011 0.000 1.404 396 I CB -1.273 36.725 38.000 -0.003 0.000 1.071 396 I HN 0.313 nan 8.210 nan 0.000 0.419 397 S N 1.013 116.741 115.700 0.046 0.000 2.406 397 S HA -0.126 4.251 4.470 -0.155 0.000 0.228 397 S C 2.100 176.743 174.600 0.071 0.000 1.020 397 S CA 0.551 58.803 58.200 0.086 0.000 0.965 397 S CB -0.851 62.385 63.200 0.060 0.000 0.798 397 S HN 0.405 nan 8.310 nan 0.000 0.488 398 L N 2.057 123.296 121.223 0.028 0.000 1.961 398 L HA -0.120 4.127 4.340 -0.155 0.000 0.210 398 L C 2.752 179.614 176.870 -0.012 0.000 1.072 398 L CA 2.116 56.950 54.840 -0.009 0.000 0.749 398 L CB -0.631 41.431 42.059 0.006 0.000 0.889 398 L HN 0.295 nan 8.230 nan 0.000 0.432 399 E N -0.492 119.713 120.200 0.008 0.000 2.208 399 E HA -0.332 3.925 4.350 -0.155 0.000 0.202 399 E C 1.956 178.597 176.600 0.068 0.000 1.014 399 E CA 2.053 58.459 56.400 0.009 0.000 0.819 399 E CB -0.572 29.126 29.700 -0.003 0.000 0.735 399 E HN 0.663 nan 8.360 nan 0.000 0.469 400 F N 0.695 120.579 119.950 -0.111 0.000 2.016 400 F HA -0.243 4.191 4.527 -0.155 0.000 0.290 400 F C 2.273 177.948 175.800 -0.209 0.000 1.166 400 F CA 0.428 58.350 58.000 -0.129 0.000 1.156 400 F CB -0.005 38.935 39.000 -0.100 0.000 0.995 400 F HN -0.100 nan 8.300 nan 0.000 0.477 401 M N 1.371 120.753 119.600 -0.364 0.000 3.727 401 M HA -0.351 4.036 4.480 -0.155 0.000 0.288 401 M C 2.135 178.085 176.300 -0.583 0.000 1.034 401 M CA 1.535 56.401 55.300 -0.723 0.000 1.049 401 M CB -1.829 30.454 32.600 -0.529 0.000 1.203 401 M HN 0.364 nan 8.290 nan 0.000 0.618 402 L N -0.276 120.731 121.223 -0.360 0.000 2.502 402 L HA -0.294 3.953 4.340 -0.155 0.000 0.224 402 L C 2.570 179.319 176.870 -0.201 0.000 1.131 402 L CA 1.323 56.012 54.840 -0.252 0.000 0.789 402 L CB -0.354 41.617 42.059 -0.147 0.000 0.907 402 L HN 0.473 nan 8.230 nan 0.000 0.445 403 E N -0.524 119.562 120.200 -0.190 0.000 2.057 403 E HA -0.182 4.075 4.350 -0.155 0.000 0.191 403 E C 1.893 178.375 176.600 -0.197 0.000 0.959 403 E CA 0.801 57.131 56.400 -0.115 0.000 0.828 403 E CB -0.098 29.611 29.700 0.015 0.000 0.800 403 E HN 0.342 nan 8.360 nan 0.000 0.460 404 Q N 1.138 120.763 119.800 -0.291 0.000 2.028 404 Q HA -0.248 3.999 4.340 -0.155 0.000 0.213 404 Q C 2.081 177.919 176.000 -0.271 0.000 1.017 404 Q CA 3.144 58.746 55.803 -0.335 0.000 0.875 404 Q CB -0.967 27.412 28.738 -0.598 0.000 0.962 404 Q HN 0.346 nan 8.270 nan 0.000 0.413 405 A N 0.349 122.926 122.820 -0.405 0.000 1.929 405 A HA -0.334 3.893 4.320 -0.155 0.000 0.221 405 A C 1.926 179.481 177.584 -0.048 0.000 1.211 405 A CA 2.252 54.199 52.037 -0.149 0.000 0.657 405 A CB -1.054 17.768 19.000 -0.297 0.000 0.827 405 A HN 0.566 nan 8.150 nan 0.000 0.462 406 N N -0.651 117.982 118.700 -0.112 0.000 2.331 406 N HA -0.121 4.526 4.740 -0.155 0.000 0.180 406 N C 1.683 177.145 175.510 -0.081 0.000 1.019 406 N CA 1.444 54.456 53.050 -0.062 0.000 0.881 406 N CB -0.286 38.163 38.487 -0.062 0.000 0.972 406 N HN 0.787 nan 8.380 nan 0.000 0.435 407 K N 0.318 120.589 120.400 -0.214 0.000 1.985 407 K HA -0.079 4.148 4.320 -0.155 0.000 0.210 407 K C 0.157 176.587 176.600 -0.283 0.000 1.047 407 K CA 1.163 57.235 56.287 -0.357 0.000 0.932 407 K CB -0.126 31.926 32.500 -0.747 0.000 0.716 407 K HN -0.042 nan 8.250 nan 0.000 0.439 408 F N 0.628 120.516 119.950 -0.104 0.000 2.974 408 F HA 0.340 4.774 4.527 -0.155 0.000 0.292 408 F C 1.108 176.912 175.800 0.006 0.000 1.209 408 F CA -0.372 57.484 58.000 -0.241 0.000 1.366 408 F CB 0.113 38.946 39.000 -0.279 0.000 1.033 408 F HN 0.131 nan 8.300 nan 0.000 0.516 409 A N -0.074 122.879 122.820 0.223 0.000 1.997 409 A HA 0.009 4.236 4.320 -0.155 0.000 0.212 409 A C 1.797 179.503 177.584 0.203 0.000 1.178 409 A CA 0.563 52.709 52.037 0.182 0.000 0.698 409 A CB -0.258 18.814 19.000 0.119 0.000 0.842 409 A HN 0.431 nan 8.150 nan 0.000 0.458 410 N N -0.355 118.504 118.700 0.265 0.000 2.268 410 N HA 0.043 4.690 4.740 -0.155 0.000 0.204 410 N C -0.691 174.929 175.510 0.184 0.000 1.124 410 N CA -0.135 53.030 53.050 0.191 0.000 0.838 410 N CB 0.151 38.715 38.487 0.128 0.000 0.994 410 N HN 0.463 nan 8.380 nan 0.000 0.489 411 H N 0.299 119.426 119.070 0.095 0.000 2.562 411 H HA 0.149 4.612 4.556 -0.154 0.000 0.352 411 H C 0.847 176.183 175.328 0.013 0.000 1.125 411 H CA 0.019 56.105 56.048 0.064 0.000 1.379 411 H CB 1.331 31.132 29.762 0.065 0.000 1.464 411 H HN -0.226 nan 8.280 nan 0.000 0.563 412 K N 1.331 121.774 120.400 0.070 0.000 2.097 412 K HA 0.243 4.470 4.320 -0.155 0.000 0.205 412 K C -0.111 176.475 176.600 -0.023 0.000 1.050 412 K CA 1.080 57.386 56.287 0.032 0.000 0.938 412 K CB 0.543 33.065 32.500 0.036 0.000 0.718 412 K HN 0.643 nan 8.250 nan 0.000 0.442 413 A N 0.173 122.942 122.820 -0.085 0.000 2.565 413 A HA 0.545 4.772 4.320 -0.155 0.000 0.298 413 A C -1.315 175.850 177.584 -0.699 0.000 1.062 413 A CA -0.960 50.860 52.037 -0.362 0.000 0.723 413 A CB 0.599 19.373 19.000 -0.376 0.000 1.282 413 A HN 0.182 nan 8.150 nan 0.000 0.400 414 I N -1.960 118.067 120.570 -0.905 0.000 2.785 414 I HA 0.887 4.964 4.170 -0.155 0.000 0.302 414 I C -0.962 174.377 176.117 -1.297 0.000 1.069 414 I CA -1.010 59.707 61.300 -0.971 0.000 1.045 414 I CB 2.022 39.502 38.000 -0.867 0.000 1.236 414 I HN 0.656 nan 8.210 nan 0.000 0.429 415 W N 2.904 123.828 121.300 -0.626 0.000 2.781 415 W HA 0.541 5.107 4.660 -0.157 0.000 0.345 415 W C -1.680 174.390 176.519 -0.748 0.000 1.085 415 W CA -0.531 56.463 57.345 -0.585 0.000 1.198 415 W CB 2.075 31.383 29.460 -0.253 0.000 1.423 415 W HN 0.298 nan 8.180 nan 0.000 0.532 416 F N 2.304 122.363 119.950 0.182 0.000 2.449 416 F HA 0.376 4.813 4.527 -0.149 0.000 0.342 416 F C -1.918 174.082 175.800 0.334 0.000 1.127 416 F CA -3.086 54.989 58.000 0.125 0.000 0.975 416 F CB 0.777 39.788 39.000 0.018 0.000 1.146 416 F HN -0.253 nan 8.300 nan 0.000 0.444 417 P HA 0.135 nan 4.420 nan 0.000 0.275 417 P C -1.368 176.293 177.300 0.603 0.000 1.228 417 P CA -0.040 63.303 63.100 0.406 0.000 0.786 417 P CB 0.671 32.506 31.700 0.226 0.000 0.927 418 Y N 0.441 120.913 120.300 0.288 0.000 2.346 418 Y HA 0.330 4.781 4.550 -0.164 0.000 0.332 418 Y C 0.932 176.851 175.900 0.032 0.000 0.985 418 Y CA -0.609 57.577 58.100 0.143 0.000 1.112 418 Y CB 1.120 39.616 38.460 0.060 0.000 1.170 418 Y HN 0.339 nan 8.280 nan 0.000 0.447 419 N N 2.175 120.934 118.700 0.098 0.000 2.547 419 N HA 0.701 5.348 4.740 -0.155 0.000 0.301 419 N C -0.899 174.574 175.510 -0.061 0.000 1.328 419 N CA -0.768 52.218 53.050 -0.106 0.000 0.932 419 N CB 0.882 39.337 38.487 -0.054 0.000 1.104 419 N HN 0.392 nan 8.380 nan 0.000 0.548 420 M N 0.051 119.624 119.600 -0.044 0.000 2.578 420 M HA 0.167 4.554 4.480 -0.155 0.000 0.276 420 M C -1.985 174.354 176.300 0.066 0.000 1.245 420 M CA -0.768 54.526 55.300 -0.011 0.000 0.871 420 M CB 2.511 35.007 32.600 -0.174 0.000 1.722 420 M HN 0.617 nan 8.290 nan 0.000 0.473 421 D N -0.852 119.598 120.400 0.082 0.000 2.332 421 D HA 0.236 4.783 4.640 -0.155 0.000 0.252 421 D C 0.805 177.107 176.300 0.003 0.000 1.050 421 D CA -0.686 53.343 54.000 0.048 0.000 0.970 421 D CB 0.559 41.392 40.800 0.055 0.000 1.141 421 D HN 0.736 nan 8.370 nan 0.000 0.485 422 W N 1.274 122.604 121.300 0.050 0.000 2.337 422 W HA -0.240 4.341 4.660 -0.130 0.000 0.272 422 W C 0.571 177.144 176.519 0.091 0.000 1.203 422 W CA 0.867 58.297 57.345 0.142 0.000 1.165 422 W CB -0.425 29.109 29.460 0.123 0.000 1.133 422 W HN 0.331 nan 8.180 nan 0.000 0.571 423 R N 0.239 120.414 120.500 -0.542 0.000 2.432 423 R HA 0.485 4.732 4.340 -0.155 0.000 0.260 423 R C 1.536 177.503 176.300 -0.555 0.000 0.935 423 R CA 0.611 56.423 56.100 -0.481 0.000 1.080 423 R CB 0.377 30.377 30.300 -0.500 0.000 1.155 423 R HN 0.317 nan 8.270 nan 0.000 0.531 424 G N 0.661 109.010 108.800 -0.752 0.000 2.906 424 G HA2 -0.221 3.646 3.960 -0.155 0.000 0.196 424 G HA3 -0.221 3.646 3.960 -0.155 0.000 0.196 424 G C -0.591 173.979 174.900 -0.550 0.000 2.215 424 G CA -0.788 43.752 45.100 -0.934 0.000 1.518 424 G HN 0.136 nan 8.290 nan 0.000 0.495 425 R N 1.109 121.382 120.500 -0.377 0.000 2.839 425 R HA 0.105 4.352 4.340 -0.155 0.000 0.261 425 R C 0.401 176.476 176.300 -0.376 0.000 0.824 425 R CA 0.735 56.632 56.100 -0.338 0.000 1.091 425 R CB -0.004 30.108 30.300 -0.313 0.000 0.908 425 R HN 0.341 nan 8.270 nan 0.000 0.408 426 V N 5.448 125.141 119.914 -0.367 0.000 2.686 426 V HA 0.137 4.164 4.120 -0.155 0.000 0.295 426 V C -0.102 175.722 176.094 -0.451 0.000 1.055 426 V CA 0.293 62.451 62.300 -0.237 0.000 1.050 426 V CB 0.361 32.128 31.823 -0.092 0.000 0.984 426 V HN 0.490 nan 8.190 nan 0.000 0.482 427 Y N 1.041 121.282 120.300 -0.098 0.000 2.553 427 Y HA 0.696 5.166 4.550 -0.134 0.000 0.347 427 Y C 0.437 176.042 175.900 -0.491 0.000 1.019 427 Y CA -0.572 57.387 58.100 -0.235 0.000 1.032 427 Y CB 1.834 40.208 38.460 -0.144 0.000 1.284 427 Y HN 0.770 nan 8.280 nan 0.000 0.466 428 A N 0.904 123.377 122.820 -0.578 0.000 2.280 428 A HA 0.495 4.722 4.320 -0.155 0.000 0.268 428 A C 0.629 178.011 177.584 -0.337 0.000 1.111 428 A CA -0.163 51.346 52.037 -0.879 0.000 0.814 428 A CB 0.212 18.634 19.000 -0.964 0.000 1.093 428 A HN 0.692 nan 8.150 nan 0.000 0.498 429 V N 0.263 120.071 119.914 -0.178 0.000 2.391 429 V HA -0.016 4.011 4.120 -0.155 0.000 0.237 429 V C 1.852 177.875 176.094 -0.119 0.000 1.046 429 V CA 1.712 63.917 62.300 -0.159 0.000 1.053 429 V CB -0.418 31.324 31.823 -0.135 0.000 0.704 429 V HN 1.125 nan 8.190 nan 0.000 0.475 430 S N -0.092 115.652 115.700 0.074 0.000 2.594 430 S HA -0.163 4.214 4.470 -0.155 0.000 0.259 430 S C 1.136 175.818 174.600 0.137 0.000 1.399 430 S CA 1.139 59.481 58.200 0.236 0.000 0.985 430 S CB 0.165 63.542 63.200 0.296 0.000 0.870 430 S HN 0.324 nan 8.310 nan 0.000 0.542 431 M N 0.406 120.149 119.600 0.238 0.000 2.134 431 M HA 0.145 4.532 4.480 -0.155 0.000 0.262 431 M C 0.738 177.084 176.300 0.078 0.000 1.076 431 M CA 0.819 56.242 55.300 0.205 0.000 1.143 431 M CB -0.289 32.559 32.600 0.413 0.000 1.346 431 M HN 0.710 nan 8.290 nan 0.000 0.421 432 F N 4.127 123.976 119.950 -0.168 0.000 2.600 432 F HA 0.216 4.649 4.527 -0.156 0.000 0.345 432 F C -0.065 175.485 175.800 -0.415 0.000 1.271 432 F CA -1.248 56.569 58.000 -0.306 0.000 1.138 432 F CB -1.060 37.782 39.000 -0.263 0.000 1.449 432 F HN 0.179 nan 8.300 nan 0.000 0.645 433 N N 5.459 123.908 118.700 -0.419 0.000 2.509 433 N HA 0.517 5.164 4.740 -0.155 0.000 0.280 433 N C -2.651 172.322 175.510 -0.895 0.000 1.306 433 N CA -2.323 50.095 53.050 -1.053 0.000 0.782 433 N CB 1.337 39.280 38.487 -0.906 0.000 1.493 433 N HN -0.028 nan 8.380 nan 0.000 0.498 434 P HA -0.189 nan 4.420 nan 0.000 0.219 434 P C 0.191 177.212 177.300 -0.465 0.000 1.151 434 P CA 1.815 64.377 63.100 -0.896 0.000 0.850 434 P CB 0.136 31.299 31.700 -0.894 0.000 0.784 435 Q N -0.944 118.610 119.800 -0.411 0.000 2.239 435 Q HA 0.207 4.454 4.340 -0.155 0.000 0.219 435 Q C 1.283 177.191 176.000 -0.154 0.000 0.901 435 Q CA -0.364 55.296 55.803 -0.238 0.000 0.949 435 Q CB -0.217 28.384 28.738 -0.228 0.000 1.038 435 Q HN 0.198 nan 8.270 nan 0.000 0.458 436 G N 1.228 109.927 108.800 -0.169 0.000 2.441 436 G HA2 -0.035 3.832 3.960 -0.155 0.000 0.258 436 G HA3 -0.035 3.832 3.960 -0.155 0.000 0.258 436 G C 0.153 175.020 174.900 -0.056 0.000 1.487 436 G CA -0.197 44.847 45.100 -0.094 0.000 1.058 436 G HN 0.515 nan 8.290 nan 0.000 0.552 437 N N -2.617 116.062 118.700 -0.036 0.000 2.741 437 N HA 0.285 4.932 4.740 -0.155 0.000 0.310 437 N C 0.625 176.138 175.510 0.005 0.000 1.295 437 N CA 0.033 53.076 53.050 -0.012 0.000 0.893 437 N CB 1.173 39.660 38.487 -0.000 0.000 1.247 437 N HN 0.328 nan 8.380 nan 0.000 0.596 438 D N -0.100 120.325 120.400 0.041 0.000 2.212 438 D HA -0.280 4.267 4.640 -0.155 0.000 0.197 438 D C 1.808 178.153 176.300 0.074 0.000 1.004 438 D CA 2.291 56.342 54.000 0.084 0.000 0.864 438 D CB -0.145 40.747 40.800 0.153 0.000 1.027 438 D HN 0.598 nan 8.370 nan 0.000 0.455 439 M N -0.258 119.403 119.600 0.102 0.000 2.240 439 M HA -0.326 4.061 4.480 -0.155 0.000 0.250 439 M C 1.862 178.026 176.300 -0.227 0.000 1.075 439 M CA 2.760 57.932 55.300 -0.214 0.000 1.072 439 M CB -0.558 31.876 32.600 -0.277 0.000 1.305 439 M HN 0.255 nan 8.290 nan 0.000 0.414 440 T N 0.117 114.604 114.554 -0.113 0.000 2.569 440 T HA -0.211 4.046 4.350 -0.155 0.000 0.263 440 T C 1.569 176.267 174.700 -0.003 0.000 1.074 440 T CA 1.797 63.871 62.100 -0.043 0.000 1.176 440 T CB -0.573 68.282 68.868 -0.022 0.000 0.863 440 T HN 0.468 nan 8.240 nan 0.000 0.410 441 K N 1.152 121.533 120.400 -0.031 0.000 2.173 441 K HA -0.080 4.147 4.320 -0.155 0.000 0.207 441 K C 2.491 179.103 176.600 0.021 0.000 1.046 441 K CA 1.296 57.569 56.287 -0.025 0.000 0.929 441 K CB -0.569 31.931 32.500 -0.001 0.000 0.720 441 K HN 0.494 nan 8.250 nan 0.000 0.453 442 G N 0.470 109.276 108.800 0.009 0.000 2.848 442 G HA2 -0.062 3.805 3.960 -0.155 0.000 0.208 442 G HA3 -0.062 3.805 3.960 -0.155 0.000 0.208 442 G C 1.151 176.033 174.900 -0.030 0.000 1.152 442 G CA 0.104 45.209 45.100 0.008 0.000 0.789 442 G HN 0.110 nan 8.290 nan 0.000 0.531 443 L N -0.248 120.968 121.223 -0.012 0.000 2.616 443 L HA 0.402 4.649 4.340 -0.155 0.000 0.229 443 L C 0.477 177.404 176.870 0.094 0.000 1.110 443 L CA 0.048 54.904 54.840 0.027 0.000 0.884 443 L CB 0.427 42.509 42.059 0.040 0.000 1.115 443 L HN 0.021 nan 8.230 nan 0.000 0.481 444 L N 0.353 121.623 121.223 0.079 0.000 2.277 444 L HA 0.380 4.627 4.340 -0.155 0.000 0.284 444 L C -0.166 176.919 176.870 0.360 0.000 1.028 444 L CA 0.117 55.023 54.840 0.110 0.000 0.835 444 L CB 1.467 43.392 42.059 -0.222 0.000 1.215 444 L HN -0.056 nan 8.230 nan 0.000 0.425 445 T N 3.652 118.404 114.554 0.329 0.000 2.924 445 T HA 0.593 4.850 4.350 -0.155 0.000 0.291 445 T C -0.069 174.740 174.700 0.183 0.000 1.045 445 T CA -0.501 61.740 62.100 0.236 0.000 1.015 445 T CB 1.179 70.081 68.868 0.057 0.000 1.103 445 T HN 0.274 nan 8.240 nan 0.000 0.496 446 L N 2.865 123.985 121.223 -0.172 0.000 2.461 446 L HA 0.366 4.613 4.340 -0.155 0.000 0.272 446 L C 1.707 178.450 176.870 -0.212 0.000 1.197 446 L CA -0.403 54.198 54.840 -0.399 0.000 0.836 446 L CB 0.393 42.125 42.059 -0.546 0.000 1.105 446 L HN 0.867 nan 8.230 nan 0.000 0.477 447 A N 3.011 125.701 122.820 -0.217 0.000 1.903 447 A HA -0.009 4.218 4.320 -0.155 0.000 0.213 447 A C 0.807 178.326 177.584 -0.108 0.000 1.185 447 A CA 0.739 52.688 52.037 -0.147 0.000 0.628 447 A CB -0.088 18.803 19.000 -0.181 0.000 0.830 447 A HN 0.711 nan 8.150 nan 0.000 0.446 448 K N 0.363 120.696 120.400 -0.112 0.000 2.213 448 K HA 0.557 4.784 4.320 -0.155 0.000 0.270 448 K C -0.127 176.404 176.600 -0.116 0.000 1.002 448 K CA -0.015 56.223 56.287 -0.080 0.000 0.868 448 K CB 1.479 33.954 32.500 -0.041 0.000 1.093 448 K HN 0.114 nan 8.250 nan 0.000 0.454 449 G N 2.162 110.900 108.800 -0.104 0.000 2.597 449 G HA2 0.482 4.349 3.960 -0.155 0.000 0.317 449 G HA3 0.482 4.349 3.960 -0.155 0.000 0.317 449 G C -1.200 173.641 174.900 -0.099 0.000 1.230 449 G CA -0.777 44.246 45.100 -0.129 0.000 0.996 449 G HN 0.522 nan 8.290 nan 0.000 0.490 450 K N -0.174 120.161 120.400 -0.108 0.000 2.435 450 K HA 0.432 4.659 4.320 -0.155 0.000 0.251 450 K C -2.788 173.772 176.600 -0.067 0.000 0.954 450 K CA -1.561 54.683 56.287 -0.073 0.000 0.820 450 K CB 2.990 35.451 32.500 -0.065 0.000 1.292 450 K HN 0.158 nan 8.250 nan 0.000 0.436 451 P HA 0.139 nan 4.420 nan 0.000 0.279 451 P C 0.499 177.797 177.300 -0.002 0.000 1.239 451 P CA -0.172 62.918 63.100 -0.016 0.000 0.789 451 P CB 0.737 32.449 31.700 0.020 0.000 0.933 452 I N 3.078 123.653 120.570 0.008 0.000 2.052 452 I HA -0.112 3.965 4.170 -0.155 0.000 0.235 452 I C 0.765 176.933 176.117 0.085 0.000 1.046 452 I CA 2.187 63.519 61.300 0.053 0.000 1.308 452 I CB -0.890 37.166 38.000 0.095 0.000 1.031 452 I HN 0.630 nan 8.210 nan 0.000 0.395 453 G N -0.077 108.771 108.800 0.080 0.000 2.716 453 G HA2 -0.297 3.570 3.960 -0.155 0.000 0.686 453 G HA3 -0.297 3.570 3.960 -0.155 0.000 0.686 453 G C 0.299 175.244 174.900 0.074 0.000 1.337 453 G CA 0.060 45.194 45.100 0.056 0.000 0.829 453 G HN 0.882 nan 8.290 nan 0.000 0.599 454 K N 0.002 120.410 120.400 0.013 0.000 2.293 454 K HA -0.150 4.077 4.320 -0.155 0.000 0.204 454 K C 1.716 178.348 176.600 0.055 0.000 1.045 454 K CA 2.521 58.802 56.287 -0.010 0.000 0.933 454 K CB 0.052 32.516 32.500 -0.060 0.000 0.736 454 K HN 0.492 nan 8.250 nan 0.000 0.463 455 E N 0.139 120.376 120.200 0.062 0.000 2.251 455 E HA 0.122 4.379 4.350 -0.155 0.000 0.194 455 E C 2.010 178.733 176.600 0.205 0.000 0.964 455 E CA 0.885 57.321 56.400 0.060 0.000 0.868 455 E CB -0.173 29.529 29.700 0.002 0.000 0.828 455 E HN 0.372 nan 8.360 nan 0.000 0.481 456 G N -0.242 108.690 108.800 0.221 0.000 2.422 456 G HA2 -0.301 3.566 3.960 -0.155 0.000 0.218 456 G HA3 -0.301 3.566 3.960 -0.155 0.000 0.218 456 G C 1.534 176.633 174.900 0.332 0.000 1.146 456 G CA 0.976 46.241 45.100 0.275 0.000 0.769 456 G HN 0.440 nan 8.290 nan 0.000 0.547 457 Y N -0.463 119.924 120.300 0.145 0.000 2.395 457 Y HA 0.018 4.476 4.550 -0.153 0.000 0.293 457 Y C 2.333 178.351 175.900 0.196 0.000 1.123 457 Y CA 0.757 58.935 58.100 0.131 0.000 1.227 457 Y CB -0.074 38.416 38.460 0.050 0.000 1.012 457 Y HN 0.200 nan 8.280 nan 0.000 0.552 458 Y N -0.552 119.912 120.300 0.274 0.000 2.315 458 Y HA -0.258 4.200 4.550 -0.153 0.000 0.288 458 Y C 1.195 177.180 175.900 0.141 0.000 1.154 458 Y CA 1.426 59.579 58.100 0.089 0.000 1.229 458 Y CB -0.631 37.716 38.460 -0.188 0.000 0.980 458 Y HN 0.304 nan 8.280 nan 0.000 0.540 459 W N -1.567 119.797 121.300 0.106 0.000 2.574 459 W HA -0.015 4.559 4.660 -0.143 0.000 0.282 459 W C 2.047 178.618 176.519 0.088 0.000 1.197 459 W CA -0.108 57.297 57.345 0.099 0.000 1.376 459 W CB -0.394 29.223 29.460 0.262 0.000 1.091 459 W HN 0.027 nan 8.180 nan 0.000 0.569 460 L N 1.888 123.261 121.223 0.251 0.000 1.952 460 L HA -0.345 3.902 4.340 -0.155 0.000 0.231 460 L C 2.267 179.311 176.870 0.289 0.000 1.088 460 L CA 2.198 57.142 54.840 0.173 0.000 0.802 460 L CB -1.247 40.770 42.059 -0.070 0.000 0.903 460 L HN -0.091 nan 8.230 nan 0.000 0.439 461 K N -0.720 119.707 120.400 0.045 0.000 2.066 461 K HA -0.291 3.936 4.320 -0.155 0.000 0.221 461 K C 2.072 178.853 176.600 0.301 0.000 1.056 461 K CA 2.126 58.547 56.287 0.224 0.000 0.950 461 K CB -0.850 31.658 32.500 0.014 0.000 0.726 461 K HN 0.361 nan 8.250 nan 0.000 0.456 462 I N 1.213 121.913 120.570 0.217 0.000 2.087 462 I HA -0.366 3.711 4.170 -0.155 0.000 0.240 462 I C 2.625 178.916 176.117 0.290 0.000 1.054 462 I CA 1.742 63.206 61.300 0.273 0.000 1.311 462 I CB -1.167 37.142 38.000 0.515 0.000 1.024 462 I HN 0.424 nan 8.210 nan 0.000 0.402 463 H N 0.695 119.887 119.070 0.203 0.000 2.268 463 H HA -0.266 4.194 4.556 -0.160 0.000 0.288 463 H C 2.105 177.380 175.328 -0.087 0.000 1.088 463 H CA 2.219 58.301 56.048 0.056 0.000 1.182 463 H CB -0.494 29.306 29.762 0.064 0.000 1.348 463 H HN 0.406 nan 8.280 nan 0.000 0.499 464 G N -0.008 108.659 108.800 -0.221 0.000 2.681 464 G HA2 -0.373 3.494 3.960 -0.155 0.000 0.224 464 G HA3 -0.373 3.494 3.960 -0.155 0.000 0.224 464 G C 1.829 176.508 174.900 -0.369 0.000 1.100 464 G CA 1.647 46.045 45.100 -1.170 0.000 0.743 464 G HN 0.675 nan 8.290 nan 0.000 0.612 465 A N 0.825 123.613 122.820 -0.055 0.000 1.929 465 A HA -0.022 4.205 4.320 -0.155 0.000 0.216 465 A C 2.302 179.768 177.584 -0.197 0.000 1.176 465 A CA 1.615 53.605 52.037 -0.077 0.000 0.628 465 A CB -0.318 18.674 19.000 -0.014 0.000 0.816 465 A HN 0.413 nan 8.150 nan 0.000 0.444 466 N N 0.350 118.963 118.700 -0.145 0.000 2.058 466 N HA -0.165 4.482 4.740 -0.155 0.000 0.191 466 N C 1.694 177.087 175.510 -0.195 0.000 1.037 466 N CA 1.860 54.825 53.050 -0.141 0.000 0.848 466 N CB -0.791 37.658 38.487 -0.062 0.000 1.021 466 N HN 0.477 nan 8.380 nan 0.000 0.422 467 C N 0.910 120.039 119.300 -0.285 0.000 2.399 467 C HA 0.016 4.383 4.460 -0.155 0.000 0.296 467 C C 2.305 177.265 174.990 -0.049 0.000 1.415 467 C CA 0.481 59.379 59.018 -0.200 0.000 1.798 467 C CB -1.523 26.020 27.740 -0.327 0.000 1.802 467 C HN 0.465 nan 8.230 nan 0.000 0.549 468 A N -1.258 121.508 122.820 -0.090 0.000 2.431 468 A HA 0.524 4.751 4.320 -0.155 0.000 0.239 468 A C 1.641 179.054 177.584 -0.286 0.000 1.230 468 A CA 1.055 52.936 52.037 -0.260 0.000 0.928 468 A CB -0.120 18.757 19.000 -0.205 0.000 1.006 468 A HN 0.991 nan 8.150 nan 0.000 0.520 469 G N -1.317 107.331 108.800 -0.252 0.000 2.231 469 G HA2 -0.167 3.700 3.960 -0.155 0.000 0.206 469 G HA3 -0.167 3.700 3.960 -0.155 0.000 0.206 469 G C 0.125 174.878 174.900 -0.245 0.000 0.996 469 G CA -0.084 44.885 45.100 -0.218 0.000 0.645 469 G HN 0.923 nan 8.290 nan 0.000 0.498 470 V N 2.340 122.026 119.914 -0.380 0.000 2.372 470 V HA 0.555 4.582 4.120 -0.155 0.000 0.261 470 V C 0.230 176.187 176.094 -0.228 0.000 1.055 470 V CA 0.426 62.514 62.300 -0.355 0.000 0.930 470 V CB 1.080 32.573 31.823 -0.551 0.000 1.031 470 V HN 0.552 nan 8.190 nan 0.000 0.479 471 D N 2.321 122.630 120.400 -0.153 0.000 3.285 471 D HA 0.133 4.680 4.640 -0.155 0.000 0.314 471 D C -0.073 176.171 176.300 -0.092 0.000 1.601 471 D CA -0.549 53.394 54.000 -0.095 0.000 0.772 471 D CB 0.013 40.767 40.800 -0.077 0.000 1.312 471 D HN 0.458 nan 8.370 nan 0.000 0.550 472 K N -0.091 120.237 120.400 -0.121 0.000 2.932 472 K HA 0.366 4.593 4.320 -0.155 0.000 0.194 472 K C -1.369 175.129 176.600 -0.169 0.000 1.132 472 K CA -0.224 55.974 56.287 -0.148 0.000 1.071 472 K CB 2.228 34.658 32.500 -0.116 0.000 0.727 472 K HN 0.066 nan 8.250 nan 0.000 0.441 473 V N 2.041 121.858 119.914 -0.163 0.000 2.711 473 V HA 0.419 4.446 4.120 -0.155 0.000 0.304 473 V C -2.565 173.491 176.094 -0.064 0.000 1.097 473 V CA -2.449 59.783 62.300 -0.113 0.000 0.906 473 V CB 1.982 33.781 31.823 -0.041 0.000 1.015 473 V HN 0.100 nan 8.190 nan 0.000 0.427 474 P HA -0.141 nan 4.420 nan 0.000 0.267 474 P C 0.816 178.358 177.300 0.403 0.000 1.145 474 P CA 0.759 64.035 63.100 0.293 0.000 0.753 474 P CB 0.279 32.142 31.700 0.273 0.000 0.748 475 F N 3.908 124.056 119.950 0.329 0.000 2.192 475 F HA -0.162 4.271 4.527 -0.155 0.000 0.301 475 F C 0.124 176.055 175.800 0.219 0.000 1.079 475 F CA 1.350 59.506 58.000 0.260 0.000 1.303 475 F CB -2.001 37.158 39.000 0.266 0.000 1.024 475 F HN 0.386 nan 8.300 nan 0.000 0.494 476 P HA -0.183 nan 4.420 nan 0.000 0.215 476 P C 1.131 178.590 177.300 0.266 0.000 1.157 476 P CA 1.668 64.954 63.100 0.309 0.000 0.863 476 P CB -0.089 31.743 31.700 0.220 0.000 0.787 477 E N 0.598 120.937 120.200 0.231 0.000 2.045 477 E HA -0.240 4.017 4.350 -0.155 0.000 0.212 477 E C 2.181 178.916 176.600 0.224 0.000 1.039 477 E CA 1.681 58.199 56.400 0.197 0.000 0.860 477 E CB -0.589 29.200 29.700 0.148 0.000 0.776 477 E HN 0.333 nan 8.360 nan 0.000 0.467 478 R N 0.163 120.771 120.500 0.180 0.000 2.204 478 R HA -0.183 4.064 4.340 -0.155 0.000 0.253 478 R C 2.307 178.773 176.300 0.276 0.000 1.172 478 R CA 1.330 57.522 56.100 0.153 0.000 0.994 478 R CB -0.353 29.984 30.300 0.062 0.000 0.874 478 R HN 0.271 nan 8.270 nan 0.000 0.462 479 I N 0.839 121.578 120.570 0.281 0.000 2.480 479 I HA -0.111 3.966 4.170 -0.155 0.000 0.251 479 I C 2.267 178.573 176.117 0.314 0.000 1.124 479 I CA 0.881 62.362 61.300 0.302 0.000 1.444 479 I CB -0.915 37.263 38.000 0.298 0.000 1.098 479 I HN 0.009 nan 8.210 nan 0.000 0.428 480 K N 2.021 122.588 120.400 0.279 0.000 2.052 480 K HA -0.284 3.943 4.320 -0.155 0.000 0.215 480 K C 2.187 178.949 176.600 0.269 0.000 1.053 480 K CA 1.907 58.339 56.287 0.241 0.000 0.934 480 K CB -1.104 31.523 32.500 0.211 0.000 0.717 480 K HN 0.162 nan 8.250 nan 0.000 0.450 481 F N 1.191 121.240 119.950 0.164 0.000 2.015 481 F HA -0.272 4.165 4.527 -0.150 0.000 0.297 481 F C 1.849 177.785 175.800 0.226 0.000 1.141 481 F CA 2.312 60.419 58.000 0.178 0.000 1.192 481 F CB -0.406 38.691 39.000 0.163 0.000 0.957 481 F HN 0.028 nan 8.300 nan 0.000 0.491 482 I N 0.592 121.484 120.570 0.536 0.000 2.236 482 I HA -0.338 3.739 4.170 -0.155 0.000 0.249 482 I C 2.398 178.681 176.117 0.277 0.000 1.102 482 I CA 2.160 63.712 61.300 0.420 0.000 1.365 482 I CB -1.741 36.559 38.000 0.500 0.000 1.051 482 I HN 0.484 nan 8.210 nan 0.000 0.420 483 E N 1.115 121.475 120.200 0.267 0.000 2.158 483 E HA -0.169 4.088 4.350 -0.155 0.000 0.191 483 E C 1.964 178.658 176.600 0.157 0.000 0.982 483 E CA 0.600 57.146 56.400 0.244 0.000 0.823 483 E CB 0.149 29.976 29.700 0.212 0.000 0.766 483 E HN 0.531 nan 8.360 nan 0.000 0.468 484 E N 0.220 120.466 120.200 0.077 0.000 2.204 484 E HA -0.160 4.097 4.350 -0.155 0.000 0.195 484 E C 0.916 177.487 176.600 -0.048 0.000 0.990 484 E CA 1.062 57.469 56.400 0.012 0.000 0.821 484 E CB -0.129 29.559 29.700 -0.020 0.000 0.750 484 E HN 0.294 nan 8.360 nan 0.000 0.477 485 N N -0.241 118.404 118.700 -0.092 0.000 2.235 485 N HA -0.021 4.626 4.740 -0.155 0.000 0.209 485 N C 1.178 176.642 175.510 -0.077 0.000 1.122 485 N CA -0.098 52.846 53.050 -0.177 0.000 0.845 485 N CB 0.134 38.470 38.487 -0.251 0.000 1.004 485 N HN 0.217 nan 8.380 nan 0.000 0.499 486 H N 1.713 120.767 119.070 -0.026 0.000 2.357 486 H HA -0.179 4.283 4.556 -0.156 0.000 0.296 486 H C 0.988 176.308 175.328 -0.013 0.000 1.108 486 H CA 1.591 57.654 56.048 0.024 0.000 1.273 486 H CB 0.494 30.366 29.762 0.184 0.000 1.367 486 H HN 0.254 nan 8.280 nan 0.000 0.498 487 E N 0.589 120.625 120.200 -0.274 0.000 2.058 487 E HA -0.156 4.101 4.350 -0.155 0.000 0.194 487 E C 2.090 178.527 176.600 -0.273 0.000 0.997 487 E CA 0.640 56.844 56.400 -0.327 0.000 0.801 487 E CB -0.279 29.315 29.700 -0.176 0.000 0.746 487 E HN 0.611 nan 8.360 nan 0.000 0.450 488 N N 1.285 119.800 118.700 -0.309 0.000 2.000 488 N HA -0.177 4.470 4.740 -0.155 0.000 0.198 488 N C 2.233 177.720 175.510 -0.038 0.000 1.057 488 N CA 1.294 54.133 53.050 -0.351 0.000 0.858 488 N CB -0.741 37.131 38.487 -1.024 0.000 1.057 488 N HN 0.206 nan 8.380 nan 0.000 0.423 489 I N 1.360 121.988 120.570 0.097 0.000 2.103 489 I HA -0.350 3.727 4.170 -0.155 0.000 0.241 489 I C 2.390 178.551 176.117 0.073 0.000 1.036 489 I CA 1.396 62.824 61.300 0.214 0.000 1.300 489 I CB -0.519 37.424 38.000 -0.094 0.000 1.010 489 I HN 0.135 nan 8.210 nan 0.000 0.406 490 M N 0.588 120.132 119.600 -0.094 0.000 2.108 490 M HA -0.249 4.138 4.480 -0.155 0.000 0.257 490 M C 2.663 178.967 176.300 0.007 0.000 1.071 490 M CA 2.250 57.514 55.300 -0.060 0.000 1.093 490 M CB -1.458 31.022 32.600 -0.200 0.000 1.345 490 M HN 0.435 nan 8.290 nan 0.000 0.403 491 A N 0.080 122.900 122.820 0.001 0.000 1.884 491 A HA -0.250 3.977 4.320 -0.155 0.000 0.219 491 A C 2.547 180.192 177.584 0.102 0.000 1.197 491 A CA 2.293 54.352 52.037 0.038 0.000 0.637 491 A CB -1.460 17.554 19.000 0.024 0.000 0.827 491 A HN 0.620 nan 8.150 nan 0.000 0.450 492 C N -1.118 118.302 119.300 0.200 0.000 2.398 492 C HA -0.012 4.355 4.460 -0.155 0.000 0.276 492 C C 3.311 178.371 174.990 0.117 0.000 1.222 492 C CA 1.001 60.199 59.018 0.300 0.000 1.746 492 C CB -1.559 26.477 27.740 0.493 0.000 2.039 492 C HN 0.720 nan 8.230 nan 0.000 0.470 493 A N 0.123 122.970 122.820 0.044 0.000 1.968 493 A HA -0.155 4.072 4.320 -0.155 0.000 0.217 493 A C 2.207 179.699 177.584 -0.153 0.000 1.169 493 A CA 1.771 53.713 52.037 -0.158 0.000 0.638 493 A CB -0.527 18.464 19.000 -0.016 0.000 0.812 493 A HN 0.717 nan 8.150 nan 0.000 0.446 494 K N -0.442 119.943 120.400 -0.026 0.000 1.973 494 K HA -0.027 4.200 4.320 -0.155 0.000 0.212 494 K C -0.177 176.408 176.600 -0.024 0.000 1.047 494 K CA 1.605 57.892 56.287 -0.000 0.000 0.937 494 K CB -0.127 32.391 32.500 0.028 0.000 0.721 494 K HN 0.297 nan 8.250 nan 0.000 0.440 495 S N 1.102 116.807 115.700 0.008 0.000 2.745 495 S HA 0.235 4.612 4.470 -0.155 0.000 0.283 495 S C -2.222 172.440 174.600 0.103 0.000 1.170 495 S CA -1.276 56.944 58.200 0.033 0.000 1.119 495 S CB 1.944 65.168 63.200 0.040 0.000 1.035 495 S HN 0.248 nan 8.310 nan 0.000 0.483 496 P HA -0.006 nan 4.420 nan 0.000 0.218 496 P C 0.990 178.565 177.300 0.458 0.000 1.152 496 P CA 0.759 64.069 63.100 0.349 0.000 0.826 496 P CB 0.152 31.969 31.700 0.195 0.000 0.790 497 L N -0.253 121.124 121.223 0.257 0.000 2.599 497 L HA 0.064 4.311 4.340 -0.155 0.000 0.230 497 L C 1.958 178.880 176.870 0.087 0.000 1.141 497 L CA 0.767 55.713 54.840 0.176 0.000 0.877 497 L CB -0.661 41.466 42.059 0.114 0.000 1.009 497 L HN -0.035 nan 8.230 nan 0.000 0.447 498 E N -0.607 119.651 120.200 0.097 0.000 2.498 498 E HA 0.167 4.424 4.350 -0.155 0.000 0.203 498 E C -0.130 176.493 176.600 0.039 0.000 1.013 498 E CA -0.050 56.374 56.400 0.040 0.000 0.927 498 E CB 0.481 30.199 29.700 0.030 0.000 1.012 498 E HN 0.352 nan 8.360 nan 0.000 0.482 499 N N 0.947 119.701 118.700 0.090 0.000 2.371 499 N HA 0.079 4.726 4.740 -0.155 0.000 0.291 499 N C -0.089 175.392 175.510 -0.047 0.000 1.053 499 N CA 0.000 53.097 53.050 0.078 0.000 0.870 499 N CB 2.083 40.676 38.487 0.176 0.000 1.503 499 N HN -0.049 nan 8.380 nan 0.000 0.485 500 T N -2.352 112.118 114.554 -0.140 0.000 3.206 500 T HA 0.044 4.301 4.350 -0.155 0.000 0.253 500 T C 1.192 175.762 174.700 -0.216 0.000 1.042 500 T CA -0.390 61.478 62.100 -0.387 0.000 0.931 500 T CB -0.280 68.414 68.868 -0.290 0.000 1.029 500 T HN 0.574 nan 8.240 nan 0.000 0.564 501 W N 1.920 123.115 121.300 -0.176 0.000 2.519 501 W HA 0.154 4.724 4.660 -0.151 0.000 0.266 501 W C 1.688 178.200 176.519 -0.011 0.000 1.253 501 W CA 0.095 57.390 57.345 -0.084 0.000 1.274 501 W CB -0.192 29.272 29.460 0.007 0.000 1.114 501 W HN 0.479 nan 8.180 nan 0.000 0.596 502 W N 0.053 121.334 121.300 -0.031 0.000 2.380 502 W HA -0.059 4.507 4.660 -0.157 0.000 0.317 502 W C 2.115 178.412 176.519 -0.370 0.000 1.196 502 W CA 1.574 58.780 57.345 -0.233 0.000 1.307 502 W CB -1.837 27.663 29.460 0.067 0.000 1.157 502 W HN -0.003 nan 8.180 nan 0.000 0.483 503 A N 2.247 124.838 122.820 -0.383 0.000 1.906 503 A HA -0.343 3.884 4.320 -0.155 0.000 0.222 503 A C 1.817 179.205 177.584 -0.326 0.000 1.282 503 A CA 3.009 54.732 52.037 -0.524 0.000 0.675 503 A CB -1.415 17.033 19.000 -0.920 0.000 0.838 503 A HN 0.568 nan 8.150 nan 0.000 0.469 504 E N -0.122 119.871 120.200 -0.346 0.000 2.510 504 E HA -0.088 4.169 4.350 -0.155 0.000 0.202 504 E C 0.003 176.409 176.600 -0.323 0.000 1.072 504 E CA 0.197 56.432 56.400 -0.275 0.000 0.883 504 E CB -0.062 29.516 29.700 -0.205 0.000 0.818 504 E HN 0.498 nan 8.360 nan 0.000 0.548 505 Q N 0.960 120.502 119.800 -0.431 0.000 2.279 505 Q HA 0.014 4.261 4.340 -0.155 0.000 0.256 505 Q C 0.083 175.895 176.000 -0.312 0.000 0.937 505 Q CA -0.026 55.461 55.803 -0.526 0.000 0.933 505 Q CB 1.194 29.322 28.738 -1.018 0.000 1.189 505 Q HN 0.032 nan 8.270 nan 0.000 0.417 506 D N 0.817 121.065 120.400 -0.253 0.000 2.467 506 D HA -0.166 4.381 4.640 -0.155 0.000 0.207 506 D C -0.229 176.000 176.300 -0.117 0.000 1.007 506 D CA 1.434 55.338 54.000 -0.160 0.000 0.968 506 D CB 0.237 40.949 40.800 -0.145 0.000 0.865 506 D HN 0.239 nan 8.370 nan 0.000 0.471 507 S N -1.274 114.359 115.700 -0.113 0.000 2.612 507 S HA 0.111 4.488 4.470 -0.155 0.000 0.203 507 S C -1.877 172.749 174.600 0.042 0.000 0.965 507 S CA -0.876 57.309 58.200 -0.024 0.000 1.157 507 S CB 1.519 64.701 63.200 -0.031 0.000 1.526 507 S HN 0.030 nan 8.310 nan 0.000 0.423 508 P HA -0.268 nan 4.420 nan 0.000 0.229 508 P C 1.077 178.465 177.300 0.146 0.000 0.791 508 P CA 1.630 64.802 63.100 0.119 0.000 1.091 508 P CB -0.246 31.486 31.700 0.055 0.000 0.715 509 F N -0.964 119.075 119.950 0.149 0.000 2.135 509 F HA -0.268 4.164 4.527 -0.158 0.000 0.300 509 F C 3.036 178.794 175.800 -0.070 0.000 1.074 509 F CA 1.226 59.222 58.000 -0.007 0.000 1.262 509 F CB -1.838 37.183 39.000 0.036 0.000 1.013 509 F HN 0.113 nan 8.300 nan 0.000 0.489 510 C N -1.122 118.280 119.300 0.170 0.000 2.587 510 C HA -0.147 4.220 4.460 -0.155 0.000 0.282 510 C C 2.667 177.649 174.990 -0.014 0.000 1.277 510 C CA 0.385 59.438 59.018 0.058 0.000 1.702 510 C CB -1.363 26.395 27.740 0.030 0.000 2.113 510 C HN 0.503 nan 8.230 nan 0.000 0.490 511 F N 0.797 120.636 119.950 -0.186 0.000 2.304 511 F HA -0.195 4.237 4.527 -0.159 0.000 0.301 511 F C 1.711 177.432 175.800 -0.132 0.000 1.052 511 F CA 1.386 59.217 58.000 -0.283 0.000 1.389 511 F CB -0.072 38.760 39.000 -0.280 0.000 1.081 511 F HN 0.213 nan 8.300 nan 0.000 0.538 512 L N -0.789 120.430 121.223 -0.006 0.000 2.585 512 L HA 0.334 4.581 4.340 -0.155 0.000 0.226 512 L C 2.152 178.808 176.870 -0.356 0.000 1.113 512 L CA 0.970 55.716 54.840 -0.156 0.000 0.876 512 L CB -0.455 41.217 42.059 -0.646 0.000 1.072 512 L HN 0.045 nan 8.230 nan 0.000 0.468 513 A N -0.061 122.593 122.820 -0.276 0.000 1.877 513 A HA -0.233 3.994 4.320 -0.155 0.000 0.216 513 A C 2.072 179.533 177.584 -0.205 0.000 1.186 513 A CA 1.949 53.779 52.037 -0.347 0.000 0.620 513 A CB -0.883 18.070 19.000 -0.080 0.000 0.822 513 A HN 0.554 nan 8.150 nan 0.000 0.443 514 F N 0.884 120.704 119.950 -0.216 0.000 2.074 514 F HA -0.153 4.282 4.527 -0.153 0.000 0.293 514 F C 2.345 178.128 175.800 -0.028 0.000 1.116 514 F CA 1.293 59.231 58.000 -0.102 0.000 1.212 514 F CB -1.031 37.858 39.000 -0.186 0.000 0.998 514 F HN 0.283 nan 8.300 nan 0.000 0.471 515 C N 1.218 120.801 119.300 0.473 0.000 2.396 515 C HA -0.246 4.121 4.460 -0.155 0.000 0.279 515 C C 2.557 177.767 174.990 0.366 0.000 1.229 515 C CA 0.767 59.946 59.018 0.268 0.000 1.801 515 C CB -2.185 25.755 27.740 0.333 0.000 2.050 515 C HN 0.514 nan 8.230 nan 0.000 0.491 516 F N 0.845 120.818 119.950 0.038 0.000 2.780 516 F HA 0.083 4.519 4.527 -0.152 0.000 0.299 516 F C 2.202 178.058 175.800 0.094 0.000 1.146 516 F CA 0.201 58.240 58.000 0.064 0.000 1.428 516 F CB -0.991 38.052 39.000 0.073 0.000 1.115 516 F HN 0.262 nan 8.300 nan 0.000 0.583 517 E N -0.652 119.690 120.200 0.237 0.000 2.045 517 E HA -0.138 4.119 4.350 -0.155 0.000 0.190 517 E C 2.008 178.710 176.600 0.169 0.000 0.968 517 E CA 0.629 57.162 56.400 0.222 0.000 0.813 517 E CB -1.113 28.637 29.700 0.084 0.000 0.780 517 E HN 0.378 nan 8.360 nan 0.000 0.455 518 Y N 1.487 121.635 120.300 -0.253 0.000 2.425 518 Y HA -0.215 4.241 4.550 -0.156 0.000 0.285 518 Y C 1.769 177.628 175.900 -0.069 0.000 1.170 518 Y CA 1.372 59.318 58.100 -0.257 0.000 1.304 518 Y CB -0.143 37.982 38.460 -0.557 0.000 0.972 518 Y HN 0.026 nan 8.280 nan 0.000 0.558 519 A N -1.253 121.690 122.820 0.205 0.000 2.267 519 A HA 0.292 4.519 4.320 -0.155 0.000 0.213 519 A C 2.291 179.739 177.584 -0.227 0.000 1.192 519 A CA 0.574 52.612 52.037 0.002 0.000 0.851 519 A CB -0.896 18.100 19.000 -0.008 0.000 0.881 519 A HN 0.479 nan 8.150 nan 0.000 0.494 520 G N -0.338 108.397 108.800 -0.109 0.000 2.396 520 G HA2 0.007 3.874 3.960 -0.155 0.000 0.214 520 G HA3 0.007 3.874 3.960 -0.155 0.000 0.214 520 G C 1.455 176.004 174.900 -0.586 0.000 1.166 520 G CA 1.076 45.859 45.100 -0.528 0.000 0.793 520 G HN 0.187 nan 8.290 nan 0.000 0.533 521 V N 0.725 120.561 119.914 -0.130 0.000 2.214 521 V HA -0.248 3.779 4.120 -0.155 0.000 0.247 521 V C 3.033 179.082 176.094 -0.076 0.000 1.051 521 V CA 2.221 64.535 62.300 0.023 0.000 1.003 521 V CB -0.452 31.462 31.823 0.152 0.000 0.635 521 V HN 0.308 nan 8.190 nan 0.000 0.447 522 Q N -0.690 119.034 119.800 -0.128 0.000 2.242 522 Q HA -0.270 3.976 4.340 -0.155 0.000 0.211 522 Q C 1.932 177.888 176.000 -0.073 0.000 0.992 522 Q CA 2.291 58.022 55.803 -0.120 0.000 0.889 522 Q CB -0.593 28.088 28.738 -0.095 0.000 0.913 522 Q HN 0.834 nan 8.270 nan 0.000 0.422 523 H N -2.301 116.792 119.070 0.038 0.000 2.525 523 H HA 0.033 4.496 4.556 -0.155 0.000 0.275 523 H C 0.676 175.937 175.328 -0.111 0.000 0.984 523 H CA 0.551 56.601 56.048 0.003 0.000 1.264 523 H CB 0.352 30.156 29.762 0.070 0.000 1.432 523 H HN 0.321 nan 8.280 nan 0.000 0.549 524 H N -1.011 118.011 119.070 -0.080 0.000 2.916 524 H HA 0.281 4.745 4.556 -0.154 0.000 0.262 524 H C 0.857 176.161 175.328 -0.039 0.000 1.178 524 H CA 0.184 56.189 56.048 -0.072 0.000 1.090 524 H CB 0.654 30.339 29.762 -0.128 0.000 1.657 524 H HN 0.434 nan 8.280 nan 0.000 0.601 525 G N 0.773 109.601 108.800 0.046 0.000 3.016 525 G HA2 -0.305 3.562 3.960 -0.155 0.000 0.518 525 G HA3 -0.305 3.562 3.960 -0.155 0.000 0.518 525 G C 0.655 175.580 174.900 0.042 0.000 1.586 525 G CA -0.153 44.946 45.100 -0.001 0.000 1.051 525 G HN 0.257 nan 8.290 nan 0.000 0.572 526 L N 1.205 122.417 121.223 -0.018 0.000 2.574 526 L HA -0.110 4.137 4.340 -0.155 0.000 0.230 526 L C 2.927 179.848 176.870 0.085 0.000 1.160 526 L CA 2.644 57.495 54.840 0.018 0.000 0.807 526 L CB -0.647 41.389 42.059 -0.038 0.000 0.931 526 L HN 1.047 nan 8.230 nan 0.000 0.450 527 S N -2.765 113.000 115.700 0.108 0.000 2.701 527 S HA -0.036 4.341 4.470 -0.155 0.000 0.220 527 S C 0.623 175.340 174.600 0.195 0.000 0.954 527 S CA -0.487 57.786 58.200 0.120 0.000 0.936 527 S CB -0.618 62.641 63.200 0.099 0.000 0.777 527 S HN 0.253 nan 8.310 nan 0.000 0.518 528 Y N 3.819 124.140 120.300 0.035 0.000 2.569 528 Y HA 0.346 4.803 4.550 -0.154 0.000 0.332 528 Y C 0.190 176.083 175.900 -0.011 0.000 1.120 528 Y CA -1.468 56.631 58.100 -0.002 0.000 1.416 528 Y CB -0.304 38.152 38.460 -0.007 0.000 1.210 528 Y HN 0.214 nan 8.280 nan 0.000 0.528 529 N N 4.743 123.357 118.700 -0.144 0.000 2.442 529 N HA 0.151 4.798 4.740 -0.155 0.000 0.265 529 N C -1.527 173.575 175.510 -0.681 0.000 1.138 529 N CA 0.091 52.967 53.050 -0.290 0.000 0.956 529 N CB 0.155 38.567 38.487 -0.125 0.000 1.067 529 N HN 0.604 nan 8.380 nan 0.000 0.474 530 C N 3.423 122.424 119.300 -0.497 0.000 2.478 530 C HA 0.371 4.738 4.460 -0.155 0.000 0.334 530 C C 1.167 175.992 174.990 -0.276 0.000 1.106 530 C CA -0.560 58.160 59.018 -0.497 0.000 1.363 530 C CB -0.622 26.845 27.740 -0.456 0.000 1.941 530 C HN 0.827 nan 8.230 nan 0.000 0.436 531 S N 3.768 119.325 115.700 -0.238 0.000 2.593 531 S HA 0.074 4.451 4.470 -0.155 0.000 0.217 531 S C 0.436 174.913 174.600 -0.206 0.000 0.966 531 S CA -0.183 57.895 58.200 -0.204 0.000 0.914 531 S CB -0.199 62.896 63.200 -0.174 0.000 0.776 531 S HN 0.798 nan 8.310 nan 0.000 0.523 532 L N 4.269 125.390 121.223 -0.171 0.000 2.462 532 L HA 0.219 4.466 4.340 -0.155 0.000 0.272 532 L C -2.288 174.448 176.870 -0.223 0.000 1.166 532 L CA -2.029 52.725 54.840 -0.144 0.000 0.880 532 L CB 0.456 42.473 42.059 -0.070 0.000 1.142 532 L HN -0.025 nan 8.230 nan 0.000 0.473 533 P HA -0.015 nan 4.420 nan 0.000 0.257 533 P C -0.795 176.226 177.300 -0.464 0.000 1.269 533 P CA 0.362 63.282 63.100 -0.301 0.000 1.122 533 P CB -0.225 31.369 31.700 -0.176 0.000 1.285 534 L N 2.648 123.539 121.223 -0.554 0.000 2.349 534 L HA 0.537 4.784 4.340 -0.155 0.000 0.275 534 L C 0.844 177.232 176.870 -0.803 0.000 1.115 534 L CA -0.530 53.808 54.840 -0.838 0.000 0.820 534 L CB 0.847 42.524 42.059 -0.637 0.000 1.135 534 L HN 0.265 nan 8.230 nan 0.000 0.445 535 A N 3.520 125.919 122.820 -0.701 0.000 2.343 535 A HA 0.763 4.990 4.320 -0.155 0.000 0.316 535 A C -1.088 176.200 177.584 -0.494 0.000 1.104 535 A CA -0.412 51.317 52.037 -0.512 0.000 0.768 535 A CB 0.766 19.658 19.000 -0.179 0.000 1.213 535 A HN 0.483 nan 8.150 nan 0.000 0.456 536 F N 2.236 122.245 119.950 0.099 0.000 2.308 536 F HA 0.277 4.704 4.527 -0.167 0.000 0.370 536 F C -0.164 175.660 175.800 0.040 0.000 1.100 536 F CA -0.953 57.145 58.000 0.163 0.000 1.108 536 F CB 1.127 40.225 39.000 0.163 0.000 1.293 536 F HN 0.449 nan 8.300 nan 0.000 0.478 537 D N 2.127 122.447 120.400 -0.133 0.000 2.308 537 D HA 0.263 4.810 4.640 -0.155 0.000 0.251 537 D C 0.707 176.821 176.300 -0.311 0.000 1.127 537 D CA 0.036 53.889 54.000 -0.245 0.000 0.876 537 D CB 1.854 42.459 40.800 -0.325 0.000 1.176 537 D HN 0.631 nan 8.370 nan 0.000 0.446 538 G N 0.913 109.640 108.800 -0.123 0.000 2.653 538 G HA2 0.210 4.077 3.960 -0.155 0.000 0.265 538 G HA3 0.210 4.077 3.960 -0.155 0.000 0.265 538 G C 0.926 175.757 174.900 -0.115 0.000 1.237 538 G CA -0.375 44.690 45.100 -0.058 0.000 0.946 538 G HN 0.355 nan 8.290 nan 0.000 0.522 539 S N -1.324 114.347 115.700 -0.048 0.000 2.341 539 S HA -0.061 4.316 4.470 -0.155 0.000 0.204 539 S C 0.812 175.361 174.600 -0.085 0.000 1.038 539 S CA 0.722 58.879 58.200 -0.073 0.000 1.013 539 S CB -0.134 63.044 63.200 -0.037 0.000 0.994 539 S HN 0.481 nan 8.310 nan 0.000 0.430 540 C N 2.573 121.832 119.300 -0.068 0.000 3.335 540 C HA 0.422 4.789 4.460 -0.155 0.000 0.217 540 C C 1.839 176.788 174.990 -0.069 0.000 1.330 540 C CA -0.826 58.148 59.018 -0.074 0.000 1.470 540 C CB -1.286 26.407 27.740 -0.079 0.000 1.806 540 C HN 0.803 nan 8.230 nan 0.000 0.468 541 S N 1.504 117.165 115.700 -0.066 0.000 2.457 541 S HA -0.271 4.106 4.470 -0.155 0.000 0.269 541 S C 2.015 176.568 174.600 -0.079 0.000 1.139 541 S CA 2.272 60.443 58.200 -0.050 0.000 1.176 541 S CB -1.101 62.000 63.200 -0.165 0.000 1.088 541 S HN 0.900 nan 8.310 nan 0.000 0.443 542 G N 3.174 111.875 108.800 -0.165 0.000 2.863 542 G HA2 -0.284 3.583 3.960 -0.155 0.000 0.217 542 G HA3 -0.284 3.583 3.960 -0.155 0.000 0.217 542 G C 1.436 176.197 174.900 -0.232 0.000 1.315 542 G CA 1.745 46.696 45.100 -0.248 0.000 0.796 542 G HN 0.756 nan 8.290 nan 0.000 0.669 543 I N -0.079 120.380 120.570 -0.184 0.000 2.194 543 I HA -0.272 3.805 4.170 -0.155 0.000 0.246 543 I C 2.824 178.957 176.117 0.027 0.000 1.093 543 I CA 1.789 63.034 61.300 -0.091 0.000 1.355 543 I CB -0.999 36.960 38.000 -0.068 0.000 1.046 543 I HN 0.328 nan 8.210 nan 0.000 0.413 544 Q N 1.179 120.996 119.800 0.027 0.000 1.867 544 Q HA -0.299 3.948 4.340 -0.155 0.000 0.243 544 Q C 2.259 178.297 176.000 0.062 0.000 1.036 544 Q CA 2.474 58.301 55.803 0.040 0.000 0.889 544 Q CB -0.950 27.828 28.738 0.067 0.000 0.983 544 Q HN 0.675 nan 8.270 nan 0.000 0.418 545 H N -0.425 118.610 119.070 -0.058 0.000 2.272 545 H HA -0.216 4.252 4.556 -0.147 0.000 0.289 545 H C 2.226 177.651 175.328 0.161 0.000 1.100 545 H CA 1.807 57.835 56.048 -0.032 0.000 1.209 545 H CB -0.379 29.485 29.762 0.171 0.000 1.348 545 H HN 0.209 nan 8.280 nan 0.000 0.481 546 F N 1.117 121.156 119.950 0.147 0.000 2.043 546 F HA -0.235 4.208 4.527 -0.141 0.000 0.297 546 F C 3.043 178.856 175.800 0.022 0.000 1.121 546 F CA 1.235 59.295 58.000 0.101 0.000 1.199 546 F CB -1.173 37.878 39.000 0.085 0.000 0.968 546 F HN 0.016 nan 8.300 nan 0.000 0.478 547 S N -0.211 115.608 115.700 0.198 0.000 2.387 547 S HA -0.236 4.141 4.470 -0.155 0.000 0.230 547 S C 2.269 176.868 174.600 -0.001 0.000 1.035 547 S CA 1.113 59.357 58.200 0.074 0.000 1.014 547 S CB -0.732 62.491 63.200 0.039 0.000 0.836 547 S HN 0.396 nan 8.310 nan 0.000 0.466 548 A N 2.483 125.244 122.820 -0.098 0.000 1.835 548 A HA -0.093 4.134 4.320 -0.155 0.000 0.215 548 A C 2.000 179.555 177.584 -0.049 0.000 1.199 548 A CA 1.737 53.653 52.037 -0.201 0.000 0.615 548 A CB -0.885 17.750 19.000 -0.608 0.000 0.838 548 A HN 0.693 nan 8.150 nan 0.000 0.444 549 M N -1.619 117.996 119.600 0.024 0.000 2.864 549 M HA 0.215 4.602 4.480 -0.155 0.000 0.218 549 M C 0.237 176.590 176.300 0.087 0.000 0.977 549 M CA 1.399 56.856 55.300 0.261 0.000 1.093 549 M CB -0.424 32.404 32.600 0.380 0.000 1.555 549 M HN 0.244 nan 8.290 nan 0.000 0.554 550 L N -0.301 120.948 121.223 0.043 0.000 4.228 550 L HA 0.259 4.506 4.340 -0.155 0.000 0.415 550 L C -0.070 176.804 176.870 0.007 0.000 1.154 550 L CA -0.368 54.475 54.840 0.004 0.000 1.451 550 L CB 0.421 42.465 42.059 -0.025 0.000 1.562 550 L HN 0.328 nan 8.230 nan 0.000 0.617 551 R N 0.338 120.846 120.500 0.014 0.000 3.416 551 R HA -0.219 4.028 4.340 -0.155 0.000 0.263 551 R C -0.294 176.007 176.300 0.002 0.000 1.053 551 R CA 0.748 56.852 56.100 0.007 0.000 0.705 551 R CB -2.399 27.906 30.300 0.009 0.000 1.124 551 R HN 0.362 nan 8.270 nan 0.000 0.444 552 D N 1.501 121.903 120.400 0.004 0.000 2.422 552 D HA 0.046 4.593 4.640 -0.155 0.000 0.227 552 D C 1.615 177.916 176.300 0.001 0.000 1.190 552 D CA -0.182 53.821 54.000 0.004 0.000 0.905 552 D CB 0.757 41.565 40.800 0.013 0.000 1.034 552 D HN 0.206 nan 8.370 nan 0.000 0.507 553 E N 3.408 123.608 120.200 0.000 0.000 2.110 553 E HA -0.167 4.090 4.350 -0.155 0.000 0.193 553 E C 1.457 178.057 176.600 -0.000 0.000 0.988 553 E CA 1.163 57.563 56.400 0.001 0.000 0.804 553 E CB -0.544 29.157 29.700 0.002 0.000 0.745 553 E HN 0.367 nan 8.360 nan 0.000 0.458 554 V N 1.836 121.748 119.914 -0.003 0.000 2.233 554 V HA -0.197 3.830 4.120 -0.155 0.000 0.247 554 V C 2.759 178.848 176.094 -0.008 0.000 1.050 554 V CA 2.265 64.561 62.300 -0.007 0.000 1.010 554 V CB -1.658 30.157 31.823 -0.013 0.000 0.637 554 V HN 0.436 nan 8.190 nan 0.000 0.444 555 G N 0.345 109.141 108.800 -0.006 0.000 2.480 555 G HA2 -0.167 3.700 3.960 -0.155 0.000 0.216 555 G HA3 -0.167 3.700 3.960 -0.155 0.000 0.216 555 G C 1.662 176.559 174.900 -0.004 0.000 1.200 555 G CA 1.092 46.189 45.100 -0.005 0.000 0.782 555 G HN 0.655 nan 8.290 nan 0.000 0.554 556 G N 0.567 109.366 108.800 -0.001 0.000 2.469 556 G HA2 -0.287 3.580 3.960 -0.155 0.000 0.220 556 G HA3 -0.287 3.580 3.960 -0.155 0.000 0.220 556 G C 1.798 176.702 174.900 0.006 0.000 1.136 556 G CA 1.275 46.373 45.100 -0.003 0.000 0.759 556 G HN 0.537 nan 8.290 nan 0.000 0.562 557 R N 0.783 121.287 120.500 0.007 0.000 2.119 557 R HA -0.084 4.163 4.340 -0.155 0.000 0.246 557 R C 2.735 179.043 176.300 0.013 0.000 1.146 557 R CA 2.016 58.126 56.100 0.017 0.000 0.962 557 R CB -0.523 29.783 30.300 0.010 0.000 0.863 557 R HN 0.289 nan 8.270 nan 0.000 0.442 558 A N 0.163 122.979 122.820 -0.008 0.000 1.873 558 A HA -0.096 4.131 4.320 -0.155 0.000 0.215 558 A C 2.160 179.721 177.584 -0.038 0.000 1.186 558 A CA 1.606 53.624 52.037 -0.031 0.000 0.616 558 A CB -0.639 18.336 19.000 -0.042 0.000 0.823 558 A HN 0.389 nan 8.150 nan 0.000 0.442 559 V N -3.033 116.867 119.914 -0.023 0.000 3.623 559 V HA 0.167 4.194 4.120 -0.155 0.000 0.271 559 V C 0.091 176.203 176.094 0.030 0.000 1.248 559 V CA 0.565 62.851 62.300 -0.023 0.000 1.156 559 V CB -1.151 30.657 31.823 -0.024 0.000 0.870 559 V HN 0.592 nan 8.190 nan 0.000 0.453 560 N N -0.386 118.347 118.700 0.055 0.000 2.929 560 N HA -0.151 4.496 4.740 -0.155 0.000 0.246 560 N C 0.242 175.803 175.510 0.086 0.000 1.111 560 N CA 0.866 53.986 53.050 0.117 0.000 0.679 560 N CB -1.510 37.107 38.487 0.216 0.000 1.008 560 N HN 0.438 nan 8.380 nan 0.000 0.559 561 L N 0.203 121.452 121.223 0.043 0.000 2.131 561 L HA 0.199 4.446 4.340 -0.155 0.000 0.206 561 L C 1.117 178.000 176.870 0.022 0.000 1.087 561 L CA 1.519 56.370 54.840 0.017 0.000 0.767 561 L CB -0.011 42.041 42.059 -0.011 0.000 0.917 561 L HN 0.299 nan 8.230 nan 0.000 0.441 562 L N 1.079 122.321 121.223 0.031 0.000 2.350 562 L HA 0.319 4.566 4.340 -0.155 0.000 0.275 562 L C -2.076 174.821 176.870 0.045 0.000 1.099 562 L CA -1.937 52.921 54.840 0.029 0.000 0.808 562 L CB 0.420 42.496 42.059 0.029 0.000 1.149 562 L HN -0.053 nan 8.230 nan 0.000 0.442 563 P HA 0.254 nan 4.420 nan 0.000 0.278 563 P C -0.885 176.449 177.300 0.056 0.000 1.238 563 P CA -0.257 62.846 63.100 0.005 0.000 0.794 563 P CB 1.745 33.416 31.700 -0.047 0.000 0.955 564 S N 0.422 116.197 115.700 0.124 0.000 2.720 564 S HA 0.233 4.610 4.470 -0.155 0.000 0.287 564 S C 0.864 175.644 174.600 0.300 0.000 1.168 564 S CA -0.395 57.920 58.200 0.192 0.000 0.832 564 S CB 1.828 65.163 63.200 0.224 0.000 1.166 564 S HN 0.483 nan 8.310 nan 0.000 0.493 565 E N 0.848 121.207 120.200 0.265 0.000 2.166 565 E HA 0.067 4.324 4.350 -0.155 0.000 0.192 565 E C 0.279 177.093 176.600 0.355 0.000 0.967 565 E CA 0.689 57.264 56.400 0.292 0.000 0.840 565 E CB 0.250 30.044 29.700 0.156 0.000 0.795 565 E HN 0.657 nan 8.360 nan 0.000 0.470 566 T N -0.466 114.215 114.554 0.212 0.000 2.756 566 T HA 0.415 4.672 4.350 -0.155 0.000 0.290 566 T C -0.013 174.618 174.700 -0.116 0.000 0.985 566 T CA -0.879 61.234 62.100 0.021 0.000 0.955 566 T CB 1.455 70.330 68.868 0.011 0.000 0.930 566 T HN -0.110 nan 8.240 nan 0.000 0.451 567 V N 4.871 124.474 119.914 -0.517 0.000 2.621 567 V HA -0.062 3.965 4.120 -0.155 0.000 0.300 567 V C 0.868 176.841 176.094 -0.201 0.000 1.031 567 V CA 0.474 62.413 62.300 -0.602 0.000 1.210 567 V CB -0.707 30.778 31.823 -0.564 0.000 0.864 567 V HN 0.830 nan 8.190 nan 0.000 0.477 568 Q N 3.474 123.233 119.800 -0.068 0.000 2.259 568 Q HA 0.312 4.559 4.340 -0.155 0.000 0.249 568 Q C -0.241 175.696 176.000 -0.104 0.000 0.914 568 Q CA -0.362 55.409 55.803 -0.052 0.000 0.904 568 Q CB 1.760 30.499 28.738 0.002 0.000 1.213 568 Q HN 0.842 nan 8.270 nan 0.000 0.428 569 D N 2.083 122.401 120.400 -0.137 0.000 2.446 569 D HA 0.103 4.650 4.640 -0.155 0.000 0.251 569 D C 0.628 176.762 176.300 -0.277 0.000 1.137 569 D CA -0.498 53.360 54.000 -0.236 0.000 0.890 569 D CB 0.411 41.098 40.800 -0.189 0.000 1.071 569 D HN 0.443 nan 8.370 nan 0.000 0.528 570 I N 4.544 124.890 120.570 -0.372 0.000 2.113 570 I HA -0.352 3.725 4.170 -0.155 0.000 0.242 570 I C 0.936 176.951 176.117 -0.170 0.000 1.057 570 I CA 1.945 63.080 61.300 -0.275 0.000 1.314 570 I CB -0.325 37.500 38.000 -0.292 0.000 1.022 570 I HN 0.458 nan 8.210 nan 0.000 0.408 571 Y N 1.133 121.389 120.300 -0.073 0.000 2.049 571 Y HA -0.090 4.360 4.550 -0.167 0.000 0.277 571 Y C 2.791 178.645 175.900 -0.076 0.000 1.143 571 Y CA 0.998 59.048 58.100 -0.083 0.000 1.115 571 Y CB -2.060 36.347 38.460 -0.088 0.000 0.975 571 Y HN 0.219 nan 8.280 nan 0.000 0.487 572 G N 0.316 109.143 108.800 0.045 0.000 2.545 572 G HA2 -0.328 3.539 3.960 -0.155 0.000 0.222 572 G HA3 -0.328 3.539 3.960 -0.155 0.000 0.222 572 G C 1.753 176.639 174.900 -0.023 0.000 1.126 572 G CA 1.548 46.647 45.100 -0.002 0.000 0.754 572 G HN 0.505 nan 8.290 nan 0.000 0.583 573 I N 0.301 120.849 120.570 -0.037 0.000 2.584 573 I HA -0.003 4.074 4.170 -0.155 0.000 0.255 573 I C 2.391 178.487 176.117 -0.035 0.000 1.145 573 I CA 0.870 62.147 61.300 -0.038 0.000 1.462 573 I CB 0.121 38.093 38.000 -0.046 0.000 1.102 573 I HN 0.006 nan 8.210 nan 0.000 0.433 574 V N 1.431 121.330 119.914 -0.025 0.000 2.871 574 V HA 0.009 4.036 4.120 -0.155 0.000 0.256 574 V C 2.789 178.857 176.094 -0.045 0.000 1.082 574 V CA 1.062 63.343 62.300 -0.032 0.000 1.105 574 V CB -1.767 30.045 31.823 -0.018 0.000 0.713 574 V HN 0.503 nan 8.190 nan 0.000 0.473 575 A N 0.784 123.582 122.820 -0.037 0.000 1.851 575 A HA -0.256 3.971 4.320 -0.155 0.000 0.216 575 A C 2.294 179.838 177.584 -0.066 0.000 1.195 575 A CA 2.249 54.250 52.037 -0.060 0.000 0.622 575 A CB -0.527 18.446 19.000 -0.045 0.000 0.831 575 A HN 0.500 nan 8.150 nan 0.000 0.444 576 K N -0.439 119.932 120.400 -0.048 0.000 1.990 576 K HA -0.223 4.004 4.320 -0.155 0.000 0.225 576 K C 1.990 178.563 176.600 -0.046 0.000 1.053 576 K CA 1.854 58.116 56.287 -0.042 0.000 0.982 576 K CB -0.313 32.167 32.500 -0.034 0.000 0.734 576 K HN 0.241 nan 8.250 nan 0.000 0.448 577 K N 0.773 121.145 120.400 -0.047 0.000 2.293 577 K HA -0.165 4.062 4.320 -0.155 0.000 0.204 577 K C 2.004 178.568 176.600 -0.060 0.000 1.045 577 K CA 1.170 57.427 56.287 -0.050 0.000 0.933 577 K CB -0.236 32.231 32.500 -0.056 0.000 0.736 577 K HN 0.103 nan 8.250 nan 0.000 0.463 578 V N 1.083 120.951 119.914 -0.076 0.000 2.426 578 V HA -0.113 3.914 4.120 -0.155 0.000 0.242 578 V C 1.954 178.001 176.094 -0.079 0.000 1.036 578 V CA 0.947 63.188 62.300 -0.100 0.000 1.044 578 V CB -0.449 31.283 31.823 -0.151 0.000 0.688 578 V HN 0.250 nan 8.190 nan 0.000 0.462 579 N N 0.782 119.439 118.700 -0.071 0.000 2.132 579 N HA -0.240 4.407 4.740 -0.155 0.000 0.191 579 N C 1.766 177.268 175.510 -0.014 0.000 1.015 579 N CA 1.837 54.862 53.050 -0.040 0.000 0.864 579 N CB -0.157 38.307 38.487 -0.037 0.000 1.006 579 N HN 0.641 nan 8.380 nan 0.000 0.430 580 E N 0.343 120.531 120.200 -0.020 0.000 2.153 580 E HA -0.083 4.174 4.350 -0.155 0.000 0.194 580 E C 1.993 178.595 176.600 0.003 0.000 0.988 580 E CA 0.605 57.001 56.400 -0.008 0.000 0.811 580 E CB 0.016 29.708 29.700 -0.015 0.000 0.746 580 E HN 0.440 nan 8.360 nan 0.000 0.466 581 I N 1.018 121.586 120.570 -0.004 0.000 2.406 581 I HA -0.207 3.870 4.170 -0.155 0.000 0.249 581 I C 2.270 178.426 176.117 0.065 0.000 1.122 581 I CA 0.606 61.916 61.300 0.018 0.000 1.431 581 I CB -0.334 37.660 38.000 -0.009 0.000 1.087 581 I HN 0.095 nan 8.210 nan 0.000 0.424 582 L N 0.385 121.649 121.223 0.067 0.000 1.951 582 L HA -0.310 3.937 4.340 -0.155 0.000 0.222 582 L C 2.659 179.591 176.870 0.104 0.000 1.078 582 L CA 1.805 56.723 54.840 0.130 0.000 0.778 582 L CB -1.133 40.994 42.059 0.113 0.000 0.893 582 L HN 0.272 nan 8.230 nan 0.000 0.436 583 Q N -0.156 119.684 119.800 0.066 0.000 2.308 583 Q HA -0.218 4.029 4.340 -0.155 0.000 0.209 583 Q C 2.069 178.098 176.000 0.049 0.000 0.985 583 Q CA 1.483 57.317 55.803 0.051 0.000 0.881 583 Q CB -0.055 28.703 28.738 0.033 0.000 0.917 583 Q HN 0.587 nan 8.270 nan 0.000 0.443 584 A N -0.310 122.543 122.820 0.054 0.000 2.123 584 A HA -0.071 4.156 4.320 -0.155 0.000 0.214 584 A C 1.262 178.884 177.584 0.062 0.000 1.152 584 A CA 0.998 53.065 52.037 0.049 0.000 0.728 584 A CB 0.204 19.229 19.000 0.043 0.000 0.814 584 A HN 0.296 nan 8.150 nan 0.000 0.464 585 D N -0.653 119.800 120.400 0.087 0.000 2.380 585 D HA 0.197 4.744 4.640 -0.155 0.000 0.212 585 D C 2.114 178.452 176.300 0.064 0.000 1.021 585 D CA 0.942 54.997 54.000 0.092 0.000 0.884 585 D CB -0.036 40.859 40.800 0.159 0.000 1.001 585 D HN 0.312 nan 8.370 nan 0.000 0.506 586 A N 0.985 123.845 122.820 0.067 0.000 2.032 586 A HA -0.163 4.064 4.320 -0.155 0.000 0.221 586 A C 1.922 179.524 177.584 0.030 0.000 1.165 586 A CA 1.115 53.179 52.037 0.046 0.000 0.645 586 A CB -0.266 18.764 19.000 0.050 0.000 0.807 586 A HN 0.166 nan 8.150 nan 0.000 0.453 587 I N -1.480 119.108 120.570 0.031 0.000 2.899 587 I HA 0.052 4.129 4.170 -0.155 0.000 0.257 587 I C 1.301 177.430 176.117 0.021 0.000 1.115 587 I CA 0.519 61.832 61.300 0.023 0.000 1.451 587 I CB -1.532 36.481 38.000 0.022 0.000 1.251 587 I HN 0.356 nan 8.210 nan 0.000 0.456 588 N N 0.095 118.812 118.700 0.027 0.000 2.694 588 N HA 0.470 5.117 4.740 -0.155 0.000 0.303 588 N C 0.248 175.775 175.510 0.029 0.000 1.364 588 N CA 0.267 53.332 53.050 0.026 0.000 0.862 588 N CB 0.728 39.232 38.487 0.029 0.000 1.107 588 N HN 0.261 nan 8.380 nan 0.000 0.512 589 G N -0.253 108.567 108.800 0.032 0.000 2.710 589 G HA2 -0.187 3.679 3.960 -0.155 0.000 0.668 589 G HA3 -0.187 3.679 3.960 -0.155 0.000 0.668 589 G C -0.407 174.505 174.900 0.020 0.000 1.320 589 G CA -0.459 44.663 45.100 0.035 0.000 0.860 589 G HN 0.623 nan 8.290 nan 0.000 0.538 590 T N -0.431 114.133 114.554 0.017 0.000 2.868 590 T HA 0.579 4.836 4.350 -0.155 0.000 0.292 590 T C -0.070 174.622 174.700 -0.012 0.000 1.028 590 T CA -0.016 62.086 62.100 0.005 0.000 1.059 590 T CB 1.594 70.467 68.868 0.009 0.000 0.991 590 T HN 0.608 nan 8.240 nan 0.000 0.531 591 D N 0.602 120.994 120.400 -0.013 0.000 2.440 591 D HA 0.320 4.867 4.640 -0.155 0.000 0.258 591 D C 0.704 176.988 176.300 -0.026 0.000 1.092 591 D CA -0.576 53.411 54.000 -0.021 0.000 1.016 591 D CB 0.755 41.547 40.800 -0.015 0.000 1.141 591 D HN 0.501 nan 8.370 nan 0.000 0.552 592 N N 0.597 119.278 118.700 -0.031 0.000 2.202 592 N HA 0.080 4.727 4.740 -0.155 0.000 0.228 592 N C -0.041 175.455 175.510 -0.022 0.000 1.340 592 N CA 0.526 53.556 53.050 -0.033 0.000 0.865 592 N CB 0.246 38.712 38.487 -0.035 0.000 1.062 592 N HN 0.424 nan 8.380 nan 0.000 0.452 593 E N -0.915 119.272 120.200 -0.021 0.000 3.397 593 E HA 0.153 4.410 4.350 -0.155 0.000 0.380 593 E C -2.129 174.463 176.600 -0.014 0.000 0.989 593 E CA -0.276 56.116 56.400 -0.014 0.000 0.783 593 E CB 0.260 29.954 29.700 -0.010 0.000 1.334 593 E HN 0.225 nan 8.360 nan 0.000 0.457 594 V N 4.180 124.087 119.914 -0.012 0.000 2.372 594 V HA 0.449 4.476 4.120 -0.155 0.000 0.261 594 V C 0.185 176.274 176.094 -0.009 0.000 1.055 594 V CA -0.623 61.670 62.300 -0.012 0.000 0.930 594 V CB 0.785 32.601 31.823 -0.012 0.000 1.031 594 V HN 0.506 nan 8.190 nan 0.000 0.479 595 V N 3.808 123.718 119.914 -0.008 0.000 2.630 595 V HA 0.405 4.432 4.120 -0.155 0.000 0.305 595 V C 0.554 176.645 176.094 -0.006 0.000 1.046 595 V CA -0.417 61.880 62.300 -0.005 0.000 0.934 595 V CB 2.196 34.017 31.823 -0.003 0.000 1.003 595 V HN 0.885 nan 8.190 nan 0.000 0.451 596 T N 3.659 118.210 114.554 -0.005 0.000 2.780 596 T HA 0.461 4.718 4.350 -0.155 0.000 0.294 596 T C -0.283 174.414 174.700 -0.006 0.000 0.949 596 T CA -0.203 61.893 62.100 -0.006 0.000 1.074 596 T CB 1.031 69.895 68.868 -0.006 0.000 0.910 596 T HN 0.388 nan 8.240 nan 0.000 0.501 597 V N 4.409 124.319 119.914 -0.007 0.000 2.349 597 V HA 0.321 4.348 4.120 -0.155 0.000 0.284 597 V C 0.311 176.399 176.094 -0.009 0.000 1.014 597 V CA -0.835 61.462 62.300 -0.007 0.000 0.826 597 V CB 1.476 33.296 31.823 -0.005 0.000 1.009 597 V HN 0.956 nan 8.190 nan 0.000 0.431 598 T N 3.314 117.861 114.554 -0.011 0.000 2.806 598 T HA 0.248 4.505 4.350 -0.155 0.000 0.290 598 T C -0.145 174.544 174.700 -0.019 0.000 0.966 598 T CA -0.210 61.881 62.100 -0.015 0.000 1.060 598 T CB 1.205 70.064 68.868 -0.015 0.000 0.927 598 T HN 0.736 nan 8.240 nan 0.000 0.485 599 D N 1.711 122.097 120.400 -0.023 0.000 2.443 599 D HA 0.013 4.560 4.640 -0.155 0.000 0.239 599 D C 1.204 177.473 176.300 -0.051 0.000 1.136 599 D CA 0.029 54.010 54.000 -0.032 0.000 0.879 599 D CB 0.769 41.550 40.800 -0.032 0.000 1.195 599 D HN 0.371 nan 8.370 nan 0.000 0.443 600 E N 2.046 122.208 120.200 -0.063 0.000 2.208 600 E HA -0.087 4.170 4.350 -0.155 0.000 0.193 600 E C 0.932 177.443 176.600 -0.147 0.000 0.988 600 E CA 0.676 57.026 56.400 -0.084 0.000 0.828 600 E CB 0.172 29.830 29.700 -0.070 0.000 0.763 600 E HN 0.500 nan 8.360 nan 0.000 0.478 601 N N -0.659 117.915 118.700 -0.209 0.000 2.428 601 N HA -0.018 4.629 4.740 -0.155 0.000 0.181 601 N C 1.644 177.051 175.510 -0.171 0.000 1.028 601 N CA 0.991 53.857 53.050 -0.307 0.000 0.877 601 N CB -0.223 37.946 38.487 -0.530 0.000 1.064 601 N HN 0.022 nan 8.380 nan 0.000 0.434 602 T N -0.447 114.041 114.554 -0.111 0.000 3.054 602 T HA 0.163 4.420 4.350 -0.155 0.000 0.259 602 T C 1.351 176.022 174.700 -0.047 0.000 1.092 602 T CA 0.789 62.850 62.100 -0.064 0.000 1.121 602 T CB -0.026 68.819 68.868 -0.039 0.000 0.912 602 T HN 0.442 nan 8.240 nan 0.000 0.489 603 G N 2.397 111.168 108.800 -0.048 0.000 2.180 603 G HA2 -0.310 3.557 3.960 -0.155 0.000 0.263 603 G HA3 -0.310 3.557 3.960 -0.155 0.000 0.263 603 G C -0.019 174.866 174.900 -0.024 0.000 0.989 603 G CA 0.603 45.682 45.100 -0.034 0.000 0.692 603 G HN 0.683 nan 8.290 nan 0.000 0.526 604 E N 0.268 120.454 120.200 -0.023 0.000 2.354 604 E HA 0.412 4.669 4.350 -0.155 0.000 0.269 604 E C 0.404 176.996 176.600 -0.014 0.000 1.036 604 E CA -0.940 55.450 56.400 -0.016 0.000 0.876 604 E CB 0.308 30.000 29.700 -0.014 0.000 1.009 604 E HN 0.116 nan 8.360 nan 0.000 0.416 605 I N 2.847 123.410 120.570 -0.011 0.000 2.428 605 I HA 0.197 4.274 4.170 -0.155 0.000 0.289 605 I C 0.237 176.349 176.117 -0.008 0.000 1.019 605 I CA -0.159 61.135 61.300 -0.010 0.000 1.351 605 I CB 1.046 39.041 38.000 -0.008 0.000 1.412 605 I HN 0.441 nan 8.210 nan 0.000 0.513 606 S N 4.158 119.853 115.700 -0.008 0.000 2.627 606 S HA 0.539 4.916 4.470 -0.155 0.000 0.283 606 S C -0.835 173.760 174.600 -0.008 0.000 1.127 606 S CA -0.776 57.419 58.200 -0.008 0.000 0.863 606 S CB 2.413 65.608 63.200 -0.008 0.000 1.121 606 S HN 0.494 nan 8.310 nan 0.000 0.479 607 E N 1.439 121.633 120.200 -0.009 0.000 2.165 607 E HA 0.434 4.691 4.350 -0.155 0.000 0.266 607 E C -1.161 175.432 176.600 -0.011 0.000 0.889 607 E CA -0.725 55.669 56.400 -0.010 0.000 0.756 607 E CB 1.146 30.840 29.700 -0.010 0.000 1.131 607 E HN 0.134 nan 8.360 nan 0.000 0.411 608 K N 2.142 122.535 120.400 -0.011 0.000 2.578 608 K HA 0.254 4.481 4.320 -0.155 0.000 0.250 608 K C -1.085 175.506 176.600 -0.015 0.000 0.955 608 K CA -0.793 55.486 56.287 -0.013 0.000 0.825 608 K CB 2.268 34.761 32.500 -0.011 0.000 1.151 608 K HN 0.346 nan 8.250 nan 0.000 0.432 609 V N 3.868 123.771 119.914 -0.019 0.000 2.427 609 V HA 0.087 4.114 4.120 -0.155 0.000 0.268 609 V C 0.388 176.467 176.094 -0.025 0.000 1.046 609 V CA -0.211 62.076 62.300 -0.022 0.000 0.970 609 V CB 0.273 32.080 31.823 -0.026 0.000 1.001 609 V HN 0.658 nan 8.190 nan 0.000 0.476 610 K N 7.936 128.323 120.400 -0.021 0.000 2.083 610 K HA 0.266 4.493 4.320 -0.155 0.000 0.246 610 K C -0.120 176.459 176.600 -0.034 0.000 1.160 610 K CA -0.486 55.788 56.287 -0.021 0.000 1.060 610 K CB -0.226 32.267 32.500 -0.012 0.000 1.417 610 K HN 0.794 nan 8.250 nan 0.000 0.329 611 L N 2.424 123.618 121.223 -0.048 0.000 2.685 611 L HA -0.144 4.103 4.340 -0.155 0.000 0.305 611 L C 1.092 177.914 176.870 -0.080 0.000 1.258 611 L CA 0.570 55.367 54.840 -0.072 0.000 0.876 611 L CB -0.033 41.969 42.059 -0.095 0.000 1.124 611 L HN 0.715 nan 8.230 nan 0.000 0.507 612 G N 0.517 109.263 108.800 -0.089 0.000 2.461 612 G HA2 0.420 4.287 3.960 -0.155 0.000 0.329 612 G HA3 0.420 4.287 3.960 -0.155 0.000 0.329 612 G C 0.924 175.732 174.900 -0.152 0.000 1.170 612 G CA 0.140 45.188 45.100 -0.087 0.000 0.935 612 G HN 0.747 nan 8.290 nan 0.000 0.492 613 T N -0.257 114.215 114.554 -0.137 0.000 2.624 613 T HA -0.278 3.979 4.350 -0.155 0.000 0.268 613 T C 2.080 176.691 174.700 -0.147 0.000 1.041 613 T CA 1.672 63.651 62.100 -0.203 0.000 1.159 613 T CB -0.394 68.476 68.868 0.004 0.000 0.863 613 T HN 0.538 nan 8.240 nan 0.000 0.434 614 K N 1.608 121.971 120.400 -0.062 0.000 2.052 614 K HA -0.214 4.013 4.320 -0.155 0.000 0.215 614 K C 2.534 179.102 176.600 -0.052 0.000 1.053 614 K CA 1.808 58.076 56.287 -0.033 0.000 0.934 614 K CB -0.566 31.921 32.500 -0.022 0.000 0.717 614 K HN 0.471 nan 8.250 nan 0.000 0.450 615 A N 0.565 123.334 122.820 -0.085 0.000 1.878 615 A HA 0.005 4.231 4.320 -0.155 0.000 0.213 615 A C 2.091 179.598 177.584 -0.128 0.000 1.192 615 A CA 0.704 52.686 52.037 -0.092 0.000 0.619 615 A CB -0.512 18.432 19.000 -0.093 0.000 0.837 615 A HN 0.294 nan 8.150 nan 0.000 0.446 616 L N -0.242 120.861 121.223 -0.200 0.000 2.010 616 L HA -0.357 3.890 4.340 -0.155 0.000 0.219 616 L C 3.117 179.926 176.870 -0.101 0.000 1.077 616 L CA 1.655 56.340 54.840 -0.259 0.000 0.773 616 L CB -0.616 41.136 42.059 -0.511 0.000 0.892 616 L HN 0.470 nan 8.230 nan 0.000 0.436 617 A N 0.051 122.855 122.820 -0.026 0.000 1.859 617 A HA -0.223 4.004 4.320 -0.155 0.000 0.217 617 A C 2.410 180.087 177.584 0.156 0.000 1.198 617 A CA 2.116 54.295 52.037 0.237 0.000 0.629 617 A CB -1.631 17.483 19.000 0.191 0.000 0.830 617 A HN 0.502 nan 8.150 nan 0.000 0.446 618 G N -0.770 108.053 108.800 0.039 0.000 2.663 618 G HA2 -0.403 3.464 3.960 -0.155 0.000 0.222 618 G HA3 -0.403 3.464 3.960 -0.155 0.000 0.222 618 G C 1.585 176.476 174.900 -0.014 0.000 1.146 618 G CA 1.511 46.615 45.100 0.007 0.000 0.764 618 G HN 0.711 nan 8.290 nan 0.000 0.608 619 Q N -0.943 118.797 119.800 -0.100 0.000 1.993 619 Q HA -0.136 4.111 4.340 -0.155 0.000 0.202 619 Q C 2.390 178.321 176.000 -0.115 0.000 0.984 619 Q CA 1.444 57.093 55.803 -0.257 0.000 0.837 619 Q CB -0.339 28.082 28.738 -0.529 0.000 0.902 619 Q HN 0.730 nan 8.270 nan 0.000 0.423 620 W N 1.084 122.371 121.300 -0.022 0.000 2.290 620 W HA -0.283 4.285 4.660 -0.153 0.000 0.323 620 W C 2.040 178.606 176.519 0.078 0.000 1.260 620 W CA 0.695 58.117 57.345 0.129 0.000 1.266 620 W CB -0.239 29.345 29.460 0.207 0.000 1.149 620 W HN 0.150 nan 8.180 nan 0.000 0.482 621 L N -0.224 121.186 121.223 0.311 0.000 2.012 621 L HA -0.243 4.004 4.340 -0.155 0.000 0.210 621 L C 2.665 179.605 176.870 0.116 0.000 1.073 621 L CA 1.506 56.443 54.840 0.161 0.000 0.748 621 L CB -1.436 40.690 42.059 0.112 0.000 0.891 621 L HN 0.010 nan 8.230 nan 0.000 0.431 622 A N -0.646 122.223 122.820 0.082 0.000 1.892 622 A HA -0.300 3.927 4.320 -0.155 0.000 0.218 622 A C 2.258 179.920 177.584 0.129 0.000 1.188 622 A CA 2.140 54.204 52.037 0.045 0.000 0.631 622 A CB -0.949 18.022 19.000 -0.049 0.000 0.822 622 A HN 0.504 nan 8.150 nan 0.000 0.447 623 Y N 0.028 120.359 120.300 0.052 0.000 2.084 623 Y HA 0.255 4.712 4.550 -0.156 0.000 0.279 623 Y C 1.224 177.243 175.900 0.198 0.000 1.119 623 Y CA 1.358 59.560 58.100 0.170 0.000 1.101 623 Y CB -0.749 37.952 38.460 0.403 0.000 0.989 623 Y HN 0.753 nan 8.280 nan 0.000 0.484 624 G N 0.371 109.069 108.800 -0.169 0.000 2.565 624 G HA2 0.035 3.902 3.960 -0.155 0.000 0.229 624 G HA3 0.035 3.902 3.960 -0.155 0.000 0.229 624 G C -1.132 173.494 174.900 -0.457 0.000 1.242 624 G CA -0.392 44.539 45.100 -0.281 0.000 1.055 624 G HN 0.400 nan 8.290 nan 0.000 0.604 625 V N 1.342 121.096 119.914 -0.267 0.000 2.539 625 V HA 0.495 4.522 4.120 -0.155 0.000 0.300 625 V C 1.193 177.177 176.094 -0.184 0.000 1.019 625 V CA 1.120 63.273 62.300 -0.245 0.000 1.160 625 V CB 0.257 31.956 31.823 -0.207 0.000 0.901 625 V HN 1.309 nan 8.190 nan 0.000 0.481 626 T N 2.345 116.801 114.554 -0.163 0.000 2.716 626 T HA 0.449 4.706 4.350 -0.155 0.000 0.286 626 T C 1.166 175.824 174.700 -0.071 0.000 1.052 626 T CA -0.388 61.653 62.100 -0.097 0.000 1.024 626 T CB 1.553 70.376 68.868 -0.074 0.000 1.349 626 T HN 0.640 nan 8.240 nan 0.000 0.525 627 R N 0.814 121.296 120.500 -0.031 0.000 2.178 627 R HA -0.133 4.114 4.340 -0.155 0.000 0.257 627 R C 1.942 178.211 176.300 -0.052 0.000 1.163 627 R CA 2.312 58.417 56.100 0.008 0.000 0.981 627 R CB -1.539 28.806 30.300 0.075 0.000 0.878 627 R HN 0.451 nan 8.270 nan 0.000 0.454 628 S N 0.367 116.033 115.700 -0.058 0.000 2.500 628 S HA 0.011 4.388 4.470 -0.155 0.000 0.239 628 S C 1.564 176.122 174.600 -0.071 0.000 0.989 628 S CA 1.033 59.191 58.200 -0.070 0.000 0.951 628 S CB 0.217 63.402 63.200 -0.025 0.000 0.759 628 S HN 0.229 nan 8.310 nan 0.000 0.523 629 V N 1.314 121.180 119.914 -0.080 0.000 3.647 629 V HA 0.061 4.088 4.120 -0.155 0.000 0.279 629 V C 1.861 177.871 176.094 -0.140 0.000 1.314 629 V CA 1.303 63.560 62.300 -0.072 0.000 1.125 629 V CB -0.247 31.511 31.823 -0.108 0.000 0.907 629 V HN 0.646 nan 8.190 nan 0.000 0.434 630 T N -3.586 110.868 114.554 -0.168 0.000 2.964 630 T HA 0.129 4.386 4.350 -0.155 0.000 0.250 630 T C 1.530 176.043 174.700 -0.311 0.000 0.982 630 T CA 0.222 62.202 62.100 -0.200 0.000 0.959 630 T CB 0.465 69.265 68.868 -0.114 0.000 1.141 630 T HN 0.263 nan 8.240 nan 0.000 0.494 631 K N 1.562 121.711 120.400 -0.419 0.000 2.037 631 K HA -0.302 3.925 4.320 -0.155 0.000 0.232 631 K C 2.151 178.409 176.600 -0.569 0.000 0.957 631 K CA 1.734 57.555 56.287 -0.777 0.000 1.069 631 K CB -0.169 31.895 32.500 -0.728 0.000 0.686 631 K HN -0.023 nan 8.250 nan 0.000 0.547 632 R N 0.457 120.706 120.500 -0.419 0.000 2.293 632 R HA -0.252 3.995 4.340 -0.155 0.000 0.228 632 R C 2.508 178.570 176.300 -0.397 0.000 1.105 632 R CA 2.352 58.262 56.100 -0.316 0.000 0.860 632 R CB -1.386 28.778 30.300 -0.228 0.000 0.923 632 R HN 0.469 nan 8.270 nan 0.000 0.414 633 S N -0.808 114.550 115.700 -0.570 0.000 2.422 633 S HA -0.252 4.125 4.470 -0.155 0.000 0.248 633 S C 1.928 176.101 174.600 -0.711 0.000 1.069 633 S CA 1.897 59.419 58.200 -1.131 0.000 1.214 633 S CB -0.732 61.328 63.200 -1.899 0.000 1.122 633 S HN 0.248 nan 8.310 nan 0.000 0.432 634 V N 2.748 122.404 119.914 -0.431 0.000 2.490 634 V HA -0.160 3.867 4.120 -0.155 0.000 0.250 634 V C 2.125 178.157 176.094 -0.102 0.000 1.061 634 V CA 2.168 64.388 62.300 -0.134 0.000 1.064 634 V CB -0.596 31.237 31.823 0.017 0.000 0.670 634 V HN 0.710 nan 8.190 nan 0.000 0.461 635 M N -0.542 118.957 119.600 -0.169 0.000 2.619 635 M HA 0.011 4.398 4.480 -0.155 0.000 0.251 635 M C 1.554 177.697 176.300 -0.262 0.000 1.106 635 M CA 1.851 57.070 55.300 -0.136 0.000 1.086 635 M CB -0.476 32.038 32.600 -0.142 0.000 1.465 635 M HN 0.359 nan 8.290 nan 0.000 0.506 636 T N -2.225 112.183 114.554 -0.245 0.000 3.001 636 T HA 0.133 4.390 4.350 -0.155 0.000 0.251 636 T C 1.467 176.024 174.700 -0.238 0.000 1.040 636 T CA -0.066 61.875 62.100 -0.265 0.000 0.985 636 T CB -0.202 68.669 68.868 0.005 0.000 1.011 636 T HN 0.378 nan 8.240 nan 0.000 0.509 637 L N 1.831 122.992 121.223 -0.104 0.000 2.270 637 L HA 0.153 4.400 4.340 -0.155 0.000 0.217 637 L C 2.429 179.267 176.870 -0.053 0.000 1.107 637 L CA 1.680 56.560 54.840 0.068 0.000 0.772 637 L CB -0.871 41.262 42.059 0.123 0.000 0.902 637 L HN 0.396 nan 8.230 nan 0.000 0.439 638 A N -1.784 120.859 122.820 -0.294 0.000 2.067 638 A HA -0.072 4.155 4.320 -0.155 0.000 0.217 638 A C 1.487 178.964 177.584 -0.178 0.000 1.156 638 A CA 0.957 52.791 52.037 -0.338 0.000 0.683 638 A CB -0.646 18.071 19.000 -0.472 0.000 0.808 638 A HN 0.557 nan 8.150 nan 0.000 0.455 639 Y N -1.134 119.152 120.300 -0.022 0.000 2.466 639 Y HA 0.395 4.831 4.550 -0.189 0.000 0.272 639 Y C 1.865 177.772 175.900 0.012 0.000 1.169 639 Y CA -0.169 57.907 58.100 -0.041 0.000 1.285 639 Y CB -0.159 38.270 38.460 -0.051 0.000 1.078 639 Y HN 0.377 nan 8.280 nan 0.000 0.523 640 G N -0.879 108.019 108.800 0.164 0.000 3.031 640 G HA2 -0.254 3.613 3.960 -0.155 0.000 0.198 640 G HA3 -0.254 3.613 3.960 -0.155 0.000 0.198 640 G C 0.291 175.276 174.900 0.141 0.000 1.242 640 G CA -0.354 44.828 45.100 0.137 0.000 0.878 640 G HN 0.320 nan 8.290 nan 0.000 0.493 641 S N 1.466 117.277 115.700 0.184 0.000 3.116 641 S HA 0.203 4.580 4.470 -0.155 0.000 0.373 641 S C 0.466 175.167 174.600 0.169 0.000 1.193 641 S CA 1.478 59.823 58.200 0.241 0.000 0.972 641 S CB 1.134 64.609 63.200 0.458 0.000 0.671 641 S HN 0.869 nan 8.310 nan 0.000 0.488 642 K N 1.577 121.873 120.400 -0.173 0.000 2.673 642 K HA 0.316 4.543 4.320 -0.155 0.000 0.299 642 K C 1.665 177.538 176.600 -1.212 0.000 0.969 642 K CA -0.763 55.132 56.287 -0.652 0.000 1.151 642 K CB 0.176 32.206 32.500 -0.783 0.000 3.456 642 K HN 0.622 nan 8.250 nan 0.000 1.144 643 E N 0.638 120.102 120.200 -1.227 0.000 2.028 643 E HA -0.146 4.111 4.350 -0.155 0.000 0.191 643 E C 1.918 178.237 176.600 -0.468 0.000 0.988 643 E CA 1.250 57.115 56.400 -0.892 0.000 0.799 643 E CB -0.042 29.182 29.700 -0.793 0.000 0.755 643 E HN 0.292 nan 8.360 nan 0.000 0.447 644 F N 0.819 120.521 119.950 -0.414 0.000 2.095 644 F HA -0.150 4.282 4.527 -0.157 0.000 0.298 644 F C 2.079 177.820 175.800 -0.098 0.000 1.104 644 F CA 1.965 59.841 58.000 -0.208 0.000 1.232 644 F CB -0.404 38.490 39.000 -0.176 0.000 0.987 644 F HN 0.017 nan 8.300 nan 0.000 0.475 645 G N -1.006 107.943 108.800 0.248 0.000 2.598 645 G HA2 -0.194 3.673 3.960 -0.155 0.000 0.215 645 G HA3 -0.194 3.673 3.960 -0.155 0.000 0.215 645 G C 1.318 176.418 174.900 0.334 0.000 1.131 645 G CA 0.400 45.683 45.100 0.305 0.000 0.785 645 G HN 0.343 nan 8.290 nan 0.000 0.539 646 F N 0.557 120.494 119.950 -0.022 0.000 2.234 646 F HA 0.243 4.677 4.527 -0.154 0.000 0.296 646 F C 2.532 178.299 175.800 -0.055 0.000 1.089 646 F CA -0.031 57.957 58.000 -0.020 0.000 1.343 646 F CB -0.933 38.072 39.000 0.008 0.000 1.040 646 F HN 0.030 nan 8.300 nan 0.000 0.498 647 R N 0.452 121.002 120.500 0.083 0.000 2.196 647 R HA -0.301 3.946 4.340 -0.155 0.000 0.227 647 R C 2.223 178.509 176.300 -0.024 0.000 1.108 647 R CA 2.376 58.460 56.100 -0.026 0.000 0.884 647 R CB -0.849 29.316 30.300 -0.224 0.000 0.839 647 R HN 0.035 nan 8.270 nan 0.000 0.431 648 Q N 0.118 119.863 119.800 -0.091 0.000 2.207 648 Q HA -0.304 3.943 4.340 -0.155 0.000 0.215 648 Q C 2.041 178.036 176.000 -0.008 0.000 1.006 648 Q CA 2.348 58.126 55.803 -0.043 0.000 0.903 648 Q CB -0.151 28.582 28.738 -0.008 0.000 0.947 648 Q HN 0.440 nan 8.270 nan 0.000 0.414 649 Q N -1.455 118.357 119.800 0.019 0.000 1.994 649 Q HA -0.087 4.160 4.340 -0.155 0.000 0.198 649 Q C 2.066 178.060 176.000 -0.011 0.000 0.976 649 Q CA 1.585 57.383 55.803 -0.008 0.000 0.828 649 Q CB -0.043 28.673 28.738 -0.037 0.000 0.894 649 Q HN 0.290 nan 8.270 nan 0.000 0.432 650 V N 1.706 121.636 119.914 0.027 0.000 2.223 650 V HA -0.359 3.668 4.120 -0.155 0.000 0.253 650 V C 2.219 178.337 176.094 0.040 0.000 1.061 650 V CA 1.961 64.301 62.300 0.066 0.000 1.035 650 V CB -1.113 30.807 31.823 0.161 0.000 0.653 650 V HN 0.463 nan 8.190 nan 0.000 0.454 651 L N 1.142 122.376 121.223 0.019 0.000 2.010 651 L HA -0.273 3.974 4.340 -0.155 0.000 0.219 651 L C 2.699 179.520 176.870 -0.083 0.000 1.077 651 L CA 3.097 57.908 54.840 -0.050 0.000 0.773 651 L CB -1.143 40.888 42.059 -0.047 0.000 0.892 651 L HN 0.848 nan 8.230 nan 0.000 0.436 652 E N -2.471 117.695 120.200 -0.058 0.000 2.276 652 E HA -0.110 4.147 4.350 -0.155 0.000 0.193 652 E C 1.380 177.942 176.600 -0.064 0.000 0.983 652 E CA 0.484 56.844 56.400 -0.067 0.000 0.861 652 E CB -0.246 29.423 29.700 -0.052 0.000 0.817 652 E HN 0.449 nan 8.360 nan 0.000 0.485 653 D N 0.401 120.771 120.400 -0.051 0.000 2.317 653 D HA -0.043 4.504 4.640 -0.155 0.000 0.211 653 D C 1.336 177.615 176.300 -0.035 0.000 0.966 653 D CA 1.357 55.328 54.000 -0.048 0.000 0.876 653 D CB 0.853 41.619 40.800 -0.056 0.000 0.927 653 D HN 0.274 nan 8.370 nan 0.000 0.519 654 T N -1.335 113.195 114.554 -0.040 0.000 3.417 654 T HA 0.130 4.387 4.350 -0.155 0.000 0.279 654 T C 1.839 176.403 174.700 -0.226 0.000 0.918 654 T CA -0.278 61.806 62.100 -0.026 0.000 1.005 654 T CB -0.254 68.710 68.868 0.160 0.000 1.212 654 T HN -0.120 nan 8.240 nan 0.000 0.510 655 I N 1.498 121.882 120.570 -0.311 0.000 2.179 655 I HA -0.127 3.950 4.170 -0.155 0.000 0.242 655 I C 2.606 178.437 176.117 -0.477 0.000 1.088 655 I CA 1.488 62.382 61.300 -0.676 0.000 1.357 655 I CB -0.114 37.522 38.000 -0.606 0.000 1.051 655 I HN 0.323 nan 8.210 nan 0.000 0.409 656 Q N 1.123 120.758 119.800 -0.276 0.000 1.941 656 Q HA -0.114 4.133 4.340 -0.155 0.000 0.201 656 Q C -0.799 175.092 176.000 -0.181 0.000 0.982 656 Q CA 1.930 57.613 55.803 -0.201 0.000 0.839 656 Q CB -1.254 27.404 28.738 -0.133 0.000 0.904 656 Q HN 0.254 nan 8.270 nan 0.000 0.427 657 P HA -0.217 nan 4.420 nan 0.000 0.223 657 P C 0.196 177.415 177.300 -0.135 0.000 1.140 657 P CA 1.757 64.791 63.100 -0.109 0.000 0.783 657 P CB 0.001 31.654 31.700 -0.078 0.000 0.759 658 A N 0.345 123.029 122.820 -0.226 0.000 1.831 658 A HA -0.077 4.150 4.320 -0.155 0.000 0.213 658 A C 2.374 179.854 177.584 -0.173 0.000 1.223 658 A CA 0.985 52.857 52.037 -0.274 0.000 0.604 658 A CB -1.434 17.238 19.000 -0.546 0.000 0.878 658 A HN 0.064 nan 8.150 nan 0.000 0.450 659 I N 0.352 120.813 120.570 -0.182 0.000 2.087 659 I HA -0.314 3.763 4.170 -0.155 0.000 0.240 659 I C 1.281 177.340 176.117 -0.095 0.000 1.054 659 I CA 2.003 63.236 61.300 -0.113 0.000 1.311 659 I CB -0.577 37.346 38.000 -0.128 0.000 1.024 659 I HN 0.305 nan 8.210 nan 0.000 0.402 660 D N 0.077 120.415 120.400 -0.104 0.000 2.400 660 D HA -0.082 4.465 4.640 -0.155 0.000 0.242 660 D C 1.517 177.798 176.300 -0.031 0.000 1.077 660 D CA 0.534 54.493 54.000 -0.069 0.000 0.943 660 D CB 0.060 40.821 40.800 -0.066 0.000 0.882 660 D HN 0.158 nan 8.370 nan 0.000 0.529 661 S N -2.133 113.545 115.700 -0.037 0.000 2.631 661 S HA 0.412 4.789 4.470 -0.155 0.000 0.246 661 S C 1.526 176.128 174.600 0.003 0.000 1.068 661 S CA 0.195 58.387 58.200 -0.013 0.000 0.995 661 S CB 1.622 64.807 63.200 -0.025 0.000 0.944 661 S HN 0.394 nan 8.310 nan 0.000 0.529 662 G N 1.801 110.597 108.800 -0.006 0.000 3.031 662 G HA2 -0.169 3.698 3.960 -0.155 0.000 0.198 662 G HA3 -0.169 3.698 3.960 -0.155 0.000 0.198 662 G C 0.182 175.083 174.900 0.002 0.000 1.242 662 G CA -0.065 45.039 45.100 0.008 0.000 0.878 662 G HN 0.378 nan 8.290 nan 0.000 0.493 663 K N 0.631 121.031 120.400 0.000 0.000 2.332 663 K HA 0.467 4.694 4.320 -0.155 0.000 0.246 663 K C 1.578 178.175 176.600 -0.004 0.000 1.066 663 K CA 1.157 57.450 56.287 0.010 0.000 0.898 663 K CB 0.071 32.587 32.500 0.027 0.000 1.192 663 K HN 1.552 nan 8.250 nan 0.000 0.509 664 G N -0.669 108.165 108.800 0.058 0.000 2.213 664 G HA2 -0.234 3.633 3.960 -0.155 0.000 0.226 664 G HA3 -0.234 3.633 3.960 -0.155 0.000 0.226 664 G C 0.583 175.570 174.900 0.146 0.000 0.992 664 G CA 0.363 45.604 45.100 0.235 0.000 0.632 664 G HN 0.399 nan 8.290 nan 0.000 0.511 665 L N 1.561 122.791 121.223 0.011 0.000 1.991 665 L HA -0.210 4.037 4.340 -0.155 0.000 0.221 665 L C 3.289 180.089 176.870 -0.117 0.000 1.079 665 L CA 3.196 58.010 54.840 -0.044 0.000 0.778 665 L CB -0.915 41.116 42.059 -0.046 0.000 0.893 665 L HN 0.572 nan 8.230 nan 0.000 0.437 666 M N -1.598 117.863 119.600 -0.232 0.000 2.426 666 M HA -0.160 4.227 4.480 -0.155 0.000 0.261 666 M C 0.838 176.801 176.300 -0.560 0.000 1.068 666 M CA 1.349 56.405 55.300 -0.406 0.000 1.066 666 M CB -1.869 30.416 32.600 -0.524 0.000 1.399 666 M HN 0.040 nan 8.290 nan 0.000 0.449 667 F N 2.585 122.419 119.950 -0.193 0.000 2.661 667 F HA 0.225 4.659 4.527 -0.154 0.000 0.356 667 F C 1.680 177.376 175.800 -0.173 0.000 1.244 667 F CA 0.057 57.918 58.000 -0.232 0.000 1.290 667 F CB -0.745 38.094 39.000 -0.268 0.000 1.677 667 F HN 0.134 nan 8.300 nan 0.000 0.649 668 T N -0.347 114.143 114.554 -0.105 0.000 2.668 668 T HA -0.176 4.081 4.350 -0.155 0.000 0.262 668 T C 1.201 175.876 174.700 -0.041 0.000 1.045 668 T CA 1.328 63.385 62.100 -0.072 0.000 1.152 668 T CB -0.079 68.731 68.868 -0.096 0.000 0.864 668 T HN 0.173 nan 8.240 nan 0.000 0.419 669 Q N 0.755 120.530 119.800 -0.042 0.000 3.008 669 Q HA 0.297 4.544 4.340 -0.155 0.000 0.307 669 Q C -1.947 174.053 176.000 0.001 0.000 1.273 669 Q CA -2.231 53.558 55.803 -0.023 0.000 1.091 669 Q CB 0.900 29.620 28.738 -0.030 0.000 1.393 669 Q HN 0.202 nan 8.270 nan 0.000 0.521 670 P HA -0.356 nan 4.420 nan 0.000 0.221 670 P C 0.805 178.105 177.300 -0.001 0.000 1.107 670 P CA 1.616 64.710 63.100 -0.010 0.000 0.986 670 P CB 0.300 31.968 31.700 -0.053 0.000 0.774 671 N N -1.637 117.057 118.700 -0.010 0.000 2.060 671 N HA -0.230 4.417 4.740 -0.155 0.000 0.195 671 N C 1.817 177.347 175.510 0.033 0.000 1.028 671 N CA 1.620 54.669 53.050 -0.001 0.000 0.861 671 N CB -0.429 38.052 38.487 -0.010 0.000 1.029 671 N HN 0.301 nan 8.380 nan 0.000 0.428 672 Q N -0.610 119.209 119.800 0.031 0.000 2.124 672 Q HA -0.102 4.145 4.340 -0.155 0.000 0.202 672 Q C 2.107 178.177 176.000 0.117 0.000 0.977 672 Q CA 1.390 57.226 55.803 0.054 0.000 0.850 672 Q CB -0.188 28.559 28.738 0.014 0.000 0.901 672 Q HN 0.495 nan 8.270 nan 0.000 0.429 673 A N 1.133 124.010 122.820 0.096 0.000 1.930 673 A HA -0.028 4.199 4.320 -0.155 0.000 0.217 673 A C 2.239 180.057 177.584 0.391 0.000 1.175 673 A CA 1.519 53.644 52.037 0.147 0.000 0.627 673 A CB -0.443 18.573 19.000 0.027 0.000 0.815 673 A HN 0.375 nan 8.150 nan 0.000 0.443 674 A N -0.837 122.136 122.820 0.255 0.000 2.072 674 A HA 0.329 4.556 4.320 -0.155 0.000 0.216 674 A C 2.240 179.952 177.584 0.212 0.000 1.156 674 A CA 1.309 53.509 52.037 0.272 0.000 0.701 674 A CB -0.925 18.146 19.000 0.117 0.000 0.816 674 A HN 0.606 nan 8.150 nan 0.000 0.458 675 G N -1.137 107.765 108.800 0.170 0.000 2.402 675 G HA2 -0.209 3.658 3.960 -0.155 0.000 0.216 675 G HA3 -0.209 3.658 3.960 -0.155 0.000 0.216 675 G C 1.469 176.491 174.900 0.204 0.000 1.162 675 G CA 1.258 46.430 45.100 0.119 0.000 0.777 675 G HN 0.538 nan 8.290 nan 0.000 0.539 676 Y N 0.786 121.187 120.300 0.169 0.000 2.090 676 Y HA -0.091 4.367 4.550 -0.154 0.000 0.274 676 Y C 2.790 178.829 175.900 0.232 0.000 1.110 676 Y CA 2.187 60.411 58.100 0.205 0.000 1.092 676 Y CB -0.542 38.076 38.460 0.262 0.000 0.992 676 Y HN 0.185 nan 8.280 nan 0.000 0.479 677 M N 1.329 121.148 119.600 0.365 0.000 2.164 677 M HA -0.329 4.058 4.480 -0.155 0.000 0.251 677 M C 1.964 178.238 176.300 -0.044 0.000 1.087 677 M CA 2.121 57.417 55.300 -0.006 0.000 1.071 677 M CB -1.231 31.460 32.600 0.152 0.000 1.347 677 M HN 0.458 nan 8.290 nan 0.000 0.399 678 A N -0.007 122.867 122.820 0.091 0.000 1.849 678 A HA -0.296 3.931 4.320 -0.155 0.000 0.216 678 A C 2.134 179.758 177.584 0.067 0.000 1.225 678 A CA 2.752 54.857 52.037 0.114 0.000 0.653 678 A CB -1.283 17.744 19.000 0.045 0.000 0.844 678 A HN 0.588 nan 8.150 nan 0.000 0.453 679 K N -0.955 119.451 120.400 0.010 0.000 2.071 679 K HA -0.238 3.989 4.320 -0.155 0.000 0.217 679 K C 1.677 178.274 176.600 -0.005 0.000 1.054 679 K CA 2.072 58.381 56.287 0.037 0.000 0.937 679 K CB -0.717 31.783 32.500 0.000 0.000 0.719 679 K HN 0.285 nan 8.250 nan 0.000 0.454 680 L N 0.755 121.858 121.223 -0.201 0.000 1.951 680 L HA -0.209 4.038 4.340 -0.155 0.000 0.222 680 L C 2.333 179.161 176.870 -0.069 0.000 1.078 680 L CA 2.020 56.734 54.840 -0.209 0.000 0.778 680 L CB -0.854 40.980 42.059 -0.375 0.000 0.893 680 L HN 0.321 nan 8.230 nan 0.000 0.436 681 I N -1.606 118.956 120.570 -0.013 0.000 2.113 681 I HA -0.435 3.642 4.170 -0.155 0.000 0.242 681 I C 2.420 178.640 176.117 0.172 0.000 1.057 681 I CA 2.078 63.441 61.300 0.105 0.000 1.314 681 I CB -0.591 37.577 38.000 0.280 0.000 1.022 681 I HN 0.547 nan 8.210 nan 0.000 0.408 682 W N 1.961 123.276 121.300 0.024 0.000 2.364 682 W HA -0.203 4.362 4.660 -0.159 0.000 0.281 682 W C 2.066 178.562 176.519 -0.039 0.000 1.219 682 W CA 1.589 58.899 57.345 -0.059 0.000 1.220 682 W CB -0.025 29.318 29.460 -0.195 0.000 1.127 682 W HN 0.287 nan 8.180 nan 0.000 0.556 683 E N -0.366 119.736 120.200 -0.164 0.000 2.086 683 E HA -0.122 4.135 4.350 -0.155 0.000 0.190 683 E C 2.337 178.784 176.600 -0.255 0.000 0.975 683 E CA 1.019 57.262 56.400 -0.262 0.000 0.813 683 E CB -0.279 29.371 29.700 -0.084 0.000 0.768 683 E HN -0.034 nan 8.360 nan 0.000 0.457 684 S N 0.377 115.981 115.700 -0.159 0.000 2.419 684 S HA -0.129 4.248 4.470 -0.155 0.000 0.233 684 S C 2.138 176.647 174.600 -0.153 0.000 1.016 684 S CA 1.128 59.251 58.200 -0.130 0.000 0.974 684 S CB 0.011 63.158 63.200 -0.088 0.000 0.786 684 S HN 0.306 nan 8.310 nan 0.000 0.492 685 V N 0.355 120.149 119.914 -0.200 0.000 2.500 685 V HA 0.082 4.109 4.120 -0.155 0.000 0.243 685 V C 1.818 177.723 176.094 -0.315 0.000 1.039 685 V CA 1.331 63.517 62.300 -0.190 0.000 1.053 685 V CB -1.123 30.652 31.823 -0.080 0.000 0.695 685 V HN 0.486 nan 8.190 nan 0.000 0.463 686 S N 1.265 116.597 115.700 -0.612 0.000 2.872 686 S HA 0.001 4.378 4.470 -0.155 0.000 0.240 686 S C 1.202 175.629 174.600 -0.287 0.000 0.983 686 S CA 1.048 58.904 58.200 -0.573 0.000 1.012 686 S CB -0.681 61.952 63.200 -0.945 0.000 0.797 686 S HN 1.479 nan 8.310 nan 0.000 0.540 687 V N -5.062 114.727 119.914 -0.208 0.000 3.380 687 V HA 0.340 4.367 4.120 -0.155 0.000 0.277 687 V C 1.508 177.549 176.094 -0.088 0.000 1.590 687 V CA 0.506 62.733 62.300 -0.122 0.000 1.019 687 V CB -0.130 31.631 31.823 -0.103 0.000 0.828 687 V HN 0.339 nan 8.190 nan 0.000 0.427 688 T N 1.467 115.964 114.554 -0.095 0.000 3.040 688 T HA 0.182 4.439 4.350 -0.155 0.000 0.252 688 T C 1.083 175.752 174.700 -0.050 0.000 1.064 688 T CA 1.704 63.765 62.100 -0.064 0.000 1.110 688 T CB 0.461 69.292 68.868 -0.061 0.000 0.921 688 T HN 0.878 nan 8.240 nan 0.000 0.480 689 V N -0.129 119.750 119.914 -0.059 0.000 2.838 689 V HA 0.384 4.411 4.120 -0.155 0.000 0.363 689 V C 1.564 177.653 176.094 -0.009 0.000 1.324 689 V CA -0.488 61.798 62.300 -0.023 0.000 1.220 689 V CB -0.525 31.290 31.823 -0.015 0.000 1.328 689 V HN 0.130 nan 8.190 nan 0.000 0.595 690 V N 1.148 121.043 119.914 -0.033 0.000 2.311 690 V HA -0.398 3.629 4.120 -0.155 0.000 0.259 690 V C 3.080 179.191 176.094 0.029 0.000 1.086 690 V CA 2.918 65.205 62.300 -0.021 0.000 1.078 690 V CB -1.714 30.098 31.823 -0.019 0.000 0.668 690 V HN 0.868 nan 8.190 nan 0.000 0.452 691 A N 0.644 123.491 122.820 0.045 0.000 1.863 691 A HA -0.286 3.941 4.320 -0.155 0.000 0.218 691 A C 2.532 180.216 177.584 0.167 0.000 1.233 691 A CA 3.619 55.705 52.037 0.081 0.000 0.655 691 A CB -1.422 17.636 19.000 0.097 0.000 0.839 691 A HN 0.881 nan 8.150 nan 0.000 0.454 692 A N -1.232 121.753 122.820 0.275 0.000 1.903 692 A HA -0.087 4.140 4.320 -0.155 0.000 0.219 692 A C 2.299 180.087 177.584 0.340 0.000 1.191 692 A CA 2.283 54.606 52.037 0.478 0.000 0.638 692 A CB -1.248 17.865 19.000 0.188 0.000 0.823 692 A HN 0.544 nan 8.150 nan 0.000 0.451 693 V N 0.337 120.355 119.914 0.173 0.000 2.214 693 V HA -0.301 3.726 4.120 -0.155 0.000 0.245 693 V C 2.576 178.775 176.094 0.174 0.000 1.047 693 V CA 2.388 64.785 62.300 0.161 0.000 0.998 693 V CB -0.844 31.005 31.823 0.044 0.000 0.633 693 V HN 0.653 nan 8.190 nan 0.000 0.446 694 E N 0.323 120.593 120.200 0.117 0.000 2.055 694 E HA -0.345 3.912 4.350 -0.155 0.000 0.209 694 E C 2.296 178.947 176.600 0.086 0.000 1.036 694 E CA 1.851 58.309 56.400 0.097 0.000 0.849 694 E CB -0.721 29.005 29.700 0.044 0.000 0.767 694 E HN 0.590 nan 8.360 nan 0.000 0.461 695 A N 1.410 124.224 122.820 -0.010 0.000 1.917 695 A HA -0.244 3.983 4.320 -0.155 0.000 0.219 695 A C 2.313 179.849 177.584 -0.080 0.000 1.182 695 A CA 2.178 54.089 52.037 -0.210 0.000 0.633 695 A CB -0.622 17.974 19.000 -0.674 0.000 0.819 695 A HN 0.187 nan 8.150 nan 0.000 0.448 696 M N -1.146 118.548 119.600 0.156 0.000 2.059 696 M HA -0.178 4.209 4.480 -0.155 0.000 0.259 696 M C 2.120 178.508 176.300 0.145 0.000 1.072 696 M CA 1.943 57.391 55.300 0.247 0.000 1.117 696 M CB -0.688 32.121 32.600 0.348 0.000 1.320 696 M HN 0.415 nan 8.290 nan 0.000 0.408 697 N N -0.246 118.548 118.700 0.158 0.000 2.043 697 N HA -0.210 4.437 4.740 -0.155 0.000 0.193 697 N C 1.110 176.688 175.510 0.113 0.000 1.037 697 N CA 1.416 54.537 53.050 0.119 0.000 0.851 697 N CB -0.547 38.019 38.487 0.131 0.000 1.027 697 N HN 0.434 nan 8.380 nan 0.000 0.422 698 W N 1.511 122.783 121.300 -0.047 0.000 2.301 698 W HA -0.189 4.377 4.660 -0.157 0.000 0.325 698 W C 1.956 178.408 176.519 -0.112 0.000 1.250 698 W CA 1.563 58.867 57.345 -0.070 0.000 1.261 698 W CB -0.653 28.760 29.460 -0.078 0.000 1.157 698 W HN 0.050 nan 8.180 nan 0.000 0.473 699 L N 0.651 122.027 121.223 0.254 0.000 1.997 699 L HA -0.343 3.904 4.340 -0.155 0.000 0.216 699 L C 2.620 179.386 176.870 -0.174 0.000 1.074 699 L CA 2.207 57.033 54.840 -0.024 0.000 0.763 699 L CB -1.071 40.878 42.059 -0.184 0.000 0.890 699 L HN -0.032 nan 8.230 nan 0.000 0.434 700 K N -0.615 119.735 120.400 -0.084 0.000 2.089 700 K HA -0.198 4.029 4.320 -0.155 0.000 0.210 700 K C 2.267 178.777 176.600 -0.150 0.000 1.048 700 K CA 1.777 58.015 56.287 -0.082 0.000 0.926 700 K CB -0.245 32.245 32.500 -0.017 0.000 0.714 700 K HN 0.225 nan 8.250 nan 0.000 0.448 701 S N 0.679 116.254 115.700 -0.209 0.000 2.354 701 S HA -0.212 4.165 4.470 -0.155 0.000 0.219 701 S C 2.111 176.493 174.600 -0.363 0.000 1.035 701 S CA 1.272 59.312 58.200 -0.267 0.000 1.037 701 S CB -0.469 62.529 63.200 -0.338 0.000 0.956 701 S HN 0.488 nan 8.310 nan 0.000 0.428 702 A N 1.946 124.417 122.820 -0.581 0.000 1.893 702 A HA -0.269 3.958 4.320 -0.155 0.000 0.222 702 A C 2.384 179.642 177.584 -0.544 0.000 1.309 702 A CA 2.712 54.282 52.037 -0.778 0.000 0.681 702 A CB -1.562 16.884 19.000 -0.923 0.000 0.842 702 A HN 0.642 nan 8.150 nan 0.000 0.468 703 A N -0.978 121.633 122.820 -0.347 0.000 1.908 703 A HA -0.193 4.034 4.320 -0.155 0.000 0.218 703 A C 2.141 179.641 177.584 -0.140 0.000 1.181 703 A CA 2.236 54.158 52.037 -0.191 0.000 0.627 703 A CB -0.553 18.389 19.000 -0.097 0.000 0.818 703 A HN 0.622 nan 8.150 nan 0.000 0.445 704 K N -0.159 120.160 120.400 -0.135 0.000 1.988 704 K HA -0.204 4.023 4.320 -0.155 0.000 0.221 704 K C 1.966 178.505 176.600 -0.102 0.000 1.053 704 K CA 1.967 58.198 56.287 -0.093 0.000 0.959 704 K CB -0.596 31.851 32.500 -0.088 0.000 0.728 704 K HN 0.467 nan 8.250 nan 0.000 0.447 705 L N 0.652 121.794 121.223 -0.135 0.000 1.997 705 L HA -0.296 3.951 4.340 -0.155 0.000 0.227 705 L C 2.667 179.489 176.870 -0.080 0.000 1.087 705 L CA 1.565 56.340 54.840 -0.107 0.000 0.797 705 L CB -0.672 41.303 42.059 -0.139 0.000 0.902 705 L HN 0.273 nan 8.230 nan 0.000 0.441 706 L N -0.638 120.514 121.223 -0.118 0.000 2.351 706 L HA -0.212 4.035 4.340 -0.155 0.000 0.220 706 L C 2.478 179.332 176.870 -0.027 0.000 1.127 706 L CA 1.530 56.332 54.840 -0.064 0.000 0.786 706 L CB -0.660 41.334 42.059 -0.108 0.000 0.914 706 L HN 0.279 nan 8.230 nan 0.000 0.443 707 A N -0.713 122.082 122.820 -0.042 0.000 1.911 707 A HA 0.327 4.554 4.320 -0.155 0.000 0.212 707 A C 1.623 179.184 177.584 -0.037 0.000 1.189 707 A CA 0.527 52.548 52.037 -0.025 0.000 0.639 707 A CB -0.685 18.298 19.000 -0.028 0.000 0.839 707 A HN 0.294 nan 8.150 nan 0.000 0.449 708 A N 0.011 122.803 122.820 -0.048 0.000 2.677 708 A HA 0.069 4.296 4.320 -0.155 0.000 0.238 708 A C 0.565 178.122 177.584 -0.045 0.000 1.157 708 A CA 1.063 53.070 52.037 -0.050 0.000 0.879 708 A CB -0.103 18.873 19.000 -0.040 0.000 1.054 708 A HN 0.536 nan 8.150 nan 0.000 0.521 709 E N 0.433 120.602 120.200 -0.051 0.000 3.646 709 E HA 0.302 4.559 4.350 -0.155 0.000 0.211 709 E C -0.410 176.149 176.600 -0.069 0.000 1.034 709 E CA -0.452 55.914 56.400 -0.056 0.000 1.341 709 E CB 0.496 30.164 29.700 -0.053 0.000 1.202 709 E HN 0.643 nan 8.360 nan 0.000 0.447 710 V N 1.950 121.821 119.914 -0.073 0.000 2.839 710 V HA -0.183 3.844 4.120 -0.155 0.000 0.296 710 V C -0.309 175.700 176.094 -0.142 0.000 1.239 710 V CA 1.484 63.729 62.300 -0.091 0.000 1.349 710 V CB 0.297 32.060 31.823 -0.101 0.000 0.852 710 V HN 0.433 nan 8.190 nan 0.000 0.504 711 K N 3.636 123.979 120.400 -0.095 0.000 2.367 711 K HA 0.504 4.731 4.320 -0.155 0.000 0.272 711 K C -1.546 175.030 176.600 -0.039 0.000 1.046 711 K CA -0.849 55.389 56.287 -0.082 0.000 0.895 711 K CB 1.591 34.058 32.500 -0.054 0.000 1.512 711 K HN 0.675 nan 8.250 nan 0.000 0.433 712 D N 0.859 121.245 120.400 -0.024 0.000 2.440 712 D HA 0.186 4.733 4.640 -0.155 0.000 0.239 712 D C -1.053 175.245 176.300 -0.003 0.000 1.084 712 D CA -0.441 53.559 54.000 0.000 0.000 0.843 712 D CB 1.054 41.861 40.800 0.012 0.000 1.097 712 D HN 0.132 nan 8.370 nan 0.000 0.531 713 K N 2.995 123.395 120.400 -0.000 0.000 3.233 713 K HA 0.162 4.389 4.320 -0.155 0.000 0.283 713 K C -0.114 176.486 176.600 0.001 0.000 1.209 713 K CA 0.258 56.543 56.287 -0.002 0.000 1.197 713 K CB -0.030 32.469 32.500 -0.001 0.000 1.431 713 K HN 0.215 nan 8.250 nan 0.000 0.326 714 K N -1.105 119.296 120.400 0.002 0.000 2.613 714 K HA 0.152 4.379 4.320 -0.155 0.000 0.209 714 K C 0.068 176.669 176.600 0.002 0.000 1.556 714 K CA 0.296 56.585 56.287 0.004 0.000 1.017 714 K CB 1.280 33.784 32.500 0.007 0.000 1.291 714 K HN 0.170 nan 8.250 nan 0.000 0.629 715 T N -1.437 113.117 114.554 -0.001 0.000 3.074 715 T HA 0.107 4.364 4.350 -0.155 0.000 0.258 715 T C 0.907 175.603 174.700 -0.008 0.000 0.891 715 T CA 0.270 62.368 62.100 -0.003 0.000 0.867 715 T CB 1.144 70.011 68.868 -0.002 0.000 1.261 715 T HN 0.204 nan 8.240 nan 0.000 0.537 716 G N 2.563 111.357 108.800 -0.010 0.000 2.379 716 G HA2 -0.272 3.595 3.960 -0.155 0.000 0.297 716 G HA3 -0.272 3.595 3.960 -0.155 0.000 0.297 716 G C -0.238 174.650 174.900 -0.020 0.000 1.004 716 G CA 0.533 45.624 45.100 -0.015 0.000 0.921 716 G HN 0.593 nan 8.290 nan 0.000 0.511 717 E N -0.661 119.525 120.200 -0.022 0.000 2.175 717 E HA 0.418 4.675 4.350 -0.155 0.000 0.278 717 E C 0.973 177.545 176.600 -0.048 0.000 0.969 717 E CA -1.055 55.328 56.400 -0.028 0.000 0.796 717 E CB 0.606 30.295 29.700 -0.018 0.000 1.104 717 E HN 0.319 nan 8.360 nan 0.000 0.395 718 I N 6.256 126.796 120.570 -0.050 0.000 2.574 718 I HA -0.087 3.990 4.170 -0.155 0.000 0.291 718 I C 1.175 177.237 176.117 -0.092 0.000 1.131 718 I CA 0.245 61.504 61.300 -0.069 0.000 1.352 718 I CB 0.032 38.001 38.000 -0.051 0.000 1.431 718 I HN 0.606 nan 8.210 nan 0.000 0.543 719 L N 5.476 126.600 121.223 -0.164 0.000 2.131 719 L HA 0.061 4.308 4.340 -0.155 0.000 0.206 719 L C 1.343 178.077 176.870 -0.226 0.000 1.087 719 L CA 1.027 55.718 54.840 -0.248 0.000 0.767 719 L CB -0.065 41.654 42.059 -0.567 0.000 0.917 719 L HN 0.595 nan 8.230 nan 0.000 0.441 720 R N 0.166 120.539 120.500 -0.212 0.000 3.039 720 R HA 0.124 4.371 4.340 -0.155 0.000 0.264 720 R C -0.296 175.966 176.300 -0.064 0.000 1.708 720 R CA -0.484 55.557 56.100 -0.099 0.000 1.134 720 R CB 0.615 30.874 30.300 -0.069 0.000 1.386 720 R HN -0.197 nan 8.270 nan 0.000 0.477 721 K N 2.080 122.456 120.400 -0.041 0.000 2.186 721 K HA -0.036 4.191 4.320 -0.155 0.000 0.250 721 K C -0.398 176.190 176.600 -0.019 0.000 1.044 721 K CA 0.497 56.765 56.287 -0.031 0.000 0.795 721 K CB 0.412 32.900 32.500 -0.020 0.000 1.052 721 K HN 0.593 nan 8.250 nan 0.000 0.535 722 R N 0.679 121.169 120.500 -0.017 0.000 2.351 722 R HA 0.099 4.346 4.340 -0.155 0.000 0.318 722 R C -0.228 176.079 176.300 0.012 0.000 1.055 722 R CA -0.274 55.821 56.100 -0.009 0.000 0.968 722 R CB -0.023 30.267 30.300 -0.016 0.000 0.974 722 R HN 0.345 nan 8.270 nan 0.000 0.439 723 C N 3.112 122.429 119.300 0.028 0.000 2.369 723 C HA 0.450 4.817 4.460 -0.155 0.000 0.358 723 C C 1.300 176.337 174.990 0.078 0.000 1.274 723 C CA -0.303 58.750 59.018 0.060 0.000 1.935 723 C CB 0.561 28.348 27.740 0.078 0.000 2.431 723 C HN 0.897 nan 8.230 nan 0.000 0.545 724 A N 3.625 126.509 122.820 0.107 0.000 2.256 724 A HA 0.653 4.880 4.320 -0.155 0.000 0.276 724 A C -0.341 177.376 177.584 0.222 0.000 1.259 724 A CA -0.129 51.992 52.037 0.140 0.000 0.813 724 A CB 0.108 19.194 19.000 0.143 0.000 1.200 724 A HN 0.726 nan 8.150 nan 0.000 0.506 725 V N 0.448 120.545 119.914 0.305 0.000 2.604 725 V HA 0.478 4.505 4.120 -0.155 0.000 0.305 725 V C -0.308 176.190 176.094 0.674 0.000 1.043 725 V CA -0.445 62.111 62.300 0.426 0.000 0.888 725 V CB 1.465 33.493 31.823 0.343 0.000 0.995 725 V HN 0.975 nan 8.190 nan 0.000 0.429 726 H N 3.870 123.303 119.070 0.605 0.000 2.894 726 H HA 0.626 5.089 4.556 -0.155 0.000 0.367 726 H C -1.735 174.001 175.328 0.681 0.000 1.144 726 H CA -0.621 55.697 56.048 0.450 0.000 1.180 726 H CB 2.388 32.249 29.762 0.165 0.000 1.758 726 H HN 0.857 nan 8.280 nan 0.000 0.541 727 W N 3.110 124.181 121.300 -0.382 0.000 2.961 727 W HA 0.600 5.161 4.660 -0.166 0.000 0.368 727 W C -2.268 174.035 176.519 -0.361 0.000 1.213 727 W CA -1.015 56.205 57.345 -0.209 0.000 1.173 727 W CB 0.789 30.482 29.460 0.388 0.000 1.487 727 W HN 0.298 nan 8.180 nan 0.000 0.585 728 V N 2.246 122.115 119.914 -0.076 0.000 2.569 728 V HA 0.400 4.427 4.120 -0.155 0.000 0.301 728 V C 0.332 176.409 176.094 -0.029 0.000 1.044 728 V CA -0.690 61.519 62.300 -0.152 0.000 0.874 728 V CB 1.100 32.869 31.823 -0.090 0.000 1.002 728 V HN 0.684 nan 8.190 nan 0.000 0.424 729 T N 2.832 117.336 114.554 -0.084 0.000 2.903 729 T HA 0.148 4.405 4.350 -0.155 0.000 0.314 729 T C -1.727 172.964 174.700 -0.015 0.000 1.078 729 T CA -0.968 61.109 62.100 -0.038 0.000 1.114 729 T CB 0.689 69.529 68.868 -0.046 0.000 0.987 729 T HN 0.409 nan 8.240 nan 0.000 0.548 730 P HA -0.111 nan 4.420 nan 0.000 0.220 730 P C 0.983 178.260 177.300 -0.038 0.000 1.144 730 P CA 1.243 64.316 63.100 -0.045 0.000 0.800 730 P CB -0.014 31.632 31.700 -0.090 0.000 0.772 731 D N -2.551 117.834 120.400 -0.026 0.000 2.427 731 D HA 0.130 4.677 4.640 -0.155 0.000 0.224 731 D C 1.213 177.493 176.300 -0.032 0.000 1.157 731 D CA 0.203 54.185 54.000 -0.029 0.000 0.828 731 D CB -0.514 40.272 40.800 -0.023 0.000 0.974 731 D HN 0.191 nan 8.370 nan 0.000 0.498 732 G N 0.166 108.948 108.800 -0.029 0.000 2.213 732 G HA2 -0.264 3.602 3.960 -0.155 0.000 0.236 732 G HA3 -0.264 3.602 3.960 -0.155 0.000 0.236 732 G C -0.093 174.767 174.900 -0.068 0.000 0.991 732 G CA -0.137 44.931 45.100 -0.054 0.000 0.629 732 G HN 0.394 nan 8.290 nan 0.000 0.517 733 F N 3.913 123.763 119.950 -0.166 0.000 2.399 733 F HA 0.588 5.031 4.527 -0.139 0.000 0.342 733 F C -1.810 173.855 175.800 -0.227 0.000 1.106 733 F CA -1.470 56.402 58.000 -0.213 0.000 1.196 733 F CB 1.701 40.553 39.000 -0.247 0.000 1.163 733 F HN -0.005 nan 8.300 nan 0.000 0.547 734 P HA 0.270 nan 4.420 nan 0.000 0.307 734 P C -1.732 175.456 177.300 -0.187 0.000 1.417 734 P CA -0.442 62.492 63.100 -0.278 0.000 0.973 734 P CB 2.360 33.920 31.700 -0.234 0.000 1.048 735 V N 5.025 124.632 119.914 -0.512 0.000 2.628 735 V HA 0.648 4.675 4.120 -0.155 0.000 0.306 735 V C -1.518 174.350 176.094 -0.378 0.000 1.045 735 V CA -0.725 61.357 62.300 -0.364 0.000 0.905 735 V CB 1.493 32.715 31.823 -1.002 0.000 0.997 735 V HN 0.508 nan 8.190 nan 0.000 0.436 736 W N 5.436 126.845 121.300 0.182 0.000 2.453 736 W HA 0.412 4.980 4.660 -0.153 0.000 0.310 736 W C -0.217 176.323 176.519 0.034 0.000 1.000 736 W CA -0.570 56.861 57.345 0.144 0.000 1.367 736 W CB 1.601 31.033 29.460 -0.047 0.000 1.269 736 W HN 0.689 nan 8.180 nan 0.000 0.418 737 Q N 2.663 122.694 119.800 0.385 0.000 2.389 737 Q HA 0.107 4.354 4.340 -0.155 0.000 0.244 737 Q C -0.204 175.771 176.000 -0.042 0.000 1.056 737 Q CA 0.547 56.418 55.803 0.114 0.000 0.908 737 Q CB 0.652 29.605 28.738 0.358 0.000 1.273 737 Q HN 0.447 nan 8.270 nan 0.000 0.471 738 E N 4.548 124.578 120.200 -0.282 0.000 2.675 738 E HA 0.144 4.401 4.350 -0.155 0.000 0.236 738 E C -1.586 174.867 176.600 -0.245 0.000 1.059 738 E CA -0.583 55.709 56.400 -0.181 0.000 0.775 738 E CB 0.543 30.171 29.700 -0.121 0.000 1.356 738 E HN 0.537 nan 8.360 nan 0.000 0.403 739 Y N 2.503 122.745 120.300 -0.097 0.000 2.383 739 Y HA 0.304 4.759 4.550 -0.159 0.000 0.344 739 Y C 0.209 176.047 175.900 -0.102 0.000 0.986 739 Y CA -0.551 57.468 58.100 -0.134 0.000 1.175 739 Y CB 0.945 39.360 38.460 -0.076 0.000 1.152 739 Y HN 0.158 nan 8.280 nan 0.000 0.511 740 K N 3.685 124.115 120.400 0.051 0.000 2.206 740 K HA 0.398 4.625 4.320 -0.155 0.000 0.264 740 K C -0.566 176.029 176.600 -0.008 0.000 0.967 740 K CA -1.038 55.252 56.287 0.005 0.000 0.844 740 K CB 2.161 34.645 32.500 -0.027 0.000 1.099 740 K HN 0.428 nan 8.250 nan 0.000 0.441 741 K N 3.861 124.255 120.400 -0.011 0.000 2.274 741 K HA 0.366 4.593 4.320 -0.155 0.000 0.262 741 K C -2.629 173.961 176.600 -0.017 0.000 0.961 741 K CA -2.066 54.211 56.287 -0.018 0.000 0.833 741 K CB 1.363 33.852 32.500 -0.020 0.000 1.102 741 K HN 0.221 nan 8.250 nan 0.000 0.436 742 P HA 0.134 nan 4.420 nan 0.000 0.274 742 P C 0.003 177.295 177.300 -0.013 0.000 1.237 742 P CA -0.203 62.890 63.100 -0.011 0.000 0.793 742 P CB 0.586 32.283 31.700 -0.004 0.000 0.977 743 I N -0.653 119.909 120.570 -0.014 0.000 3.928 743 I HA 0.032 4.109 4.170 -0.155 0.000 0.335 743 I C 1.187 177.293 176.117 -0.018 0.000 1.325 743 I CA -0.017 61.273 61.300 -0.017 0.000 1.107 743 I CB -0.592 37.397 38.000 -0.018 0.000 1.014 743 I HN 0.343 nan 8.210 nan 0.000 0.400 744 Q N 1.850 121.639 119.800 -0.017 0.000 2.669 744 Q HA 0.342 4.589 4.340 -0.155 0.000 0.257 744 Q C -0.168 175.818 176.000 -0.024 0.000 1.187 744 Q CA 0.383 56.172 55.803 -0.023 0.000 1.136 744 Q CB 0.055 28.785 28.738 -0.014 0.000 2.646 744 Q HN 0.225 nan 8.270 nan 0.000 0.592 745 T N -0.806 113.731 114.554 -0.028 0.000 3.105 745 T HA 0.118 4.375 4.350 -0.155 0.000 0.347 745 T C -1.291 173.382 174.700 -0.045 0.000 1.732 745 T CA -0.851 61.234 62.100 -0.025 0.000 0.997 745 T CB 0.239 69.095 68.868 -0.021 0.000 1.960 745 T HN 0.552 nan 8.240 nan 0.000 0.531 746 R N 1.175 121.656 120.500 -0.032 0.000 2.397 746 R HA 0.087 4.334 4.340 -0.155 0.000 0.162 746 R C -1.418 174.880 176.300 -0.004 0.000 1.228 746 R CA -0.558 55.514 56.100 -0.047 0.000 0.770 746 R CB 0.090 30.321 30.300 -0.115 0.000 1.357 746 R HN 0.505 nan 8.270 nan 0.000 0.473 747 L N 1.619 122.849 121.223 0.010 0.000 2.367 747 L HA 0.352 4.599 4.340 -0.155 0.000 0.275 747 L C -0.034 176.866 176.870 0.050 0.000 1.129 747 L CA 0.360 55.219 54.840 0.031 0.000 0.839 747 L CB 0.768 42.840 42.059 0.022 0.000 1.133 747 L HN 0.279 nan 8.230 nan 0.000 0.453 748 N N 3.272 122.017 118.700 0.076 0.000 2.432 748 N HA 0.354 5.001 4.740 -0.155 0.000 0.292 748 N C 0.139 175.690 175.510 0.070 0.000 1.193 748 N CA -0.722 52.385 53.050 0.096 0.000 0.878 748 N CB 0.952 39.534 38.487 0.158 0.000 1.252 748 N HN 0.597 nan 8.380 nan 0.000 0.520 749 L N 0.816 122.076 121.223 0.061 0.000 2.117 749 L HA 0.286 4.533 4.340 -0.155 0.000 0.200 749 L C 1.011 177.883 176.870 0.003 0.000 1.110 749 L CA 1.640 56.498 54.840 0.030 0.000 0.774 749 L CB -0.595 41.481 42.059 0.029 0.000 0.934 749 L HN 0.757 nan 8.230 nan 0.000 0.456 750 M N -2.321 117.255 119.600 -0.040 0.000 2.405 750 M HA 0.061 4.448 4.480 -0.155 0.000 0.292 750 M C 1.177 177.370 176.300 -0.178 0.000 1.111 750 M CA 0.130 55.327 55.300 -0.172 0.000 0.979 750 M CB 0.915 33.305 32.600 -0.350 0.000 1.426 750 M HN 0.108 nan 8.290 nan 0.000 0.509 751 F N 0.117 119.978 119.950 -0.148 0.000 2.534 751 F HA 0.208 4.642 4.527 -0.155 0.000 0.274 751 F C 0.655 176.438 175.800 -0.028 0.000 0.917 751 F CA 0.049 57.994 58.000 -0.093 0.000 1.145 751 F CB 0.814 39.781 39.000 -0.055 0.000 1.145 751 F HN -0.023 nan 8.300 nan 0.000 0.746 752 L N -1.121 120.211 121.223 0.182 0.000 3.647 752 L HA 0.574 4.821 4.340 -0.155 0.000 0.218 752 L C 0.202 177.171 176.870 0.164 0.000 1.339 752 L CA 0.152 55.062 54.840 0.116 0.000 1.749 752 L CB -0.175 41.913 42.059 0.048 0.000 1.942 752 L HN 0.065 nan 8.230 nan 0.000 0.740 753 G N 1.191 110.149 108.800 0.264 0.000 3.043 753 G HA2 0.099 3.966 3.960 -0.155 0.000 0.239 753 G HA3 0.099 3.966 3.960 -0.155 0.000 0.239 753 G C -0.663 174.323 174.900 0.144 0.000 1.042 753 G CA -0.408 44.804 45.100 0.187 0.000 1.189 753 G HN 0.303 nan 8.290 nan 0.000 0.578 754 Q N -0.052 119.845 119.800 0.162 0.000 3.226 754 Q HA 0.726 4.973 4.340 -0.155 0.000 0.276 754 Q C 1.253 177.378 176.000 0.208 0.000 1.029 754 Q CA -0.887 55.050 55.803 0.224 0.000 0.854 754 Q CB 0.009 28.959 28.738 0.354 0.000 1.567 754 Q HN 1.060 nan 8.270 nan 0.000 0.481 755 F N 0.681 120.562 119.950 -0.115 0.000 2.408 755 F HA -0.058 4.377 4.527 -0.155 0.000 0.310 755 F C 0.337 176.042 175.800 -0.157 0.000 0.925 755 F CA 0.234 58.164 58.000 -0.115 0.000 1.166 755 F CB -0.083 38.858 39.000 -0.099 0.000 0.895 755 F HN 0.488 nan 8.300 nan 0.000 0.626 767 S N -0.512 115.177 115.700 -0.018 0.000 2.587 767 S HA 0.730 5.106 4.470 -0.155 0.000 0.269 767 S C -1.431 173.157 174.600 -0.021 0.000 1.154 767 S CA -0.981 57.208 58.200 -0.019 0.000 0.824 767 S CB 2.421 65.609 63.200 -0.020 0.000 1.118 767 S HN 0.529 nan 8.310 nan 0.000 0.462 768 E N 0.006 120.194 120.200 -0.020 0.000 2.413 768 E HA 0.657 4.914 4.350 -0.155 0.000 0.277 768 E C -1.420 175.172 176.600 -0.013 0.000 0.958 768 E CA -1.248 55.141 56.400 -0.020 0.000 0.779 768 E CB 0.699 30.384 29.700 -0.024 0.000 1.278 768 E HN 0.443 nan 8.360 nan 0.000 0.456 769 I N 1.833 122.398 120.570 -0.008 0.000 2.742 769 I HA -0.042 4.035 4.170 -0.155 0.000 0.287 769 I C 0.133 176.253 176.117 0.006 0.000 1.186 769 I CA 0.554 61.861 61.300 0.011 0.000 1.417 769 I CB -0.195 37.812 38.000 0.012 0.000 1.377 769 I HN 0.555 nan 8.210 nan 0.000 0.556 770 D N 6.224 126.642 120.400 0.030 0.000 2.522 770 D HA 0.392 4.939 4.640 -0.155 0.000 0.218 770 D C 1.334 177.634 176.300 0.000 0.000 1.149 770 D CA -0.029 53.969 54.000 -0.005 0.000 0.981 770 D CB 0.682 41.476 40.800 -0.010 0.000 1.041 770 D HN 0.631 nan 8.370 nan 0.000 0.518 771 A N 3.114 125.902 122.820 -0.053 0.000 2.082 771 A HA -0.333 3.894 4.320 -0.155 0.000 0.224 771 A C 1.674 179.246 177.584 -0.021 0.000 1.179 771 A CA 1.905 53.905 52.037 -0.062 0.000 0.670 771 A CB -0.873 18.037 19.000 -0.151 0.000 0.817 771 A HN 0.820 nan 8.150 nan 0.000 0.475 772 H N -1.441 117.617 119.070 -0.021 0.000 2.276 772 H HA -0.007 4.455 4.556 -0.156 0.000 0.307 772 H C 2.269 177.569 175.328 -0.047 0.000 1.061 772 H CA 1.301 57.324 56.048 -0.042 0.000 1.336 772 H CB -0.065 29.659 29.762 -0.064 0.000 1.396 772 H HN 0.416 nan 8.280 nan 0.000 0.503 773 K N 0.416 120.834 120.400 0.030 0.000 2.077 773 K HA -0.296 3.931 4.320 -0.155 0.000 0.213 773 K C 2.350 179.002 176.600 0.086 0.000 1.051 773 K CA 1.823 58.001 56.287 -0.181 0.000 0.929 773 K CB -0.080 32.111 32.500 -0.515 0.000 0.715 773 K HN 0.119 nan 8.250 nan 0.000 0.451 774 Q N 0.764 120.721 119.800 0.261 0.000 2.045 774 Q HA -0.210 4.037 4.340 -0.155 0.000 0.206 774 Q C 1.781 177.902 176.000 0.202 0.000 0.991 774 Q CA 1.952 57.950 55.803 0.325 0.000 0.851 774 Q CB -0.084 28.757 28.738 0.172 0.000 0.911 774 Q HN 0.356 nan 8.270 nan 0.000 0.418 775 E N -0.920 119.350 120.200 0.116 0.000 2.358 775 E HA -0.108 4.149 4.350 -0.155 0.000 0.195 775 E C 1.644 178.288 176.600 0.073 0.000 1.010 775 E CA 0.817 57.255 56.400 0.064 0.000 0.856 775 E CB 0.008 29.731 29.700 0.038 0.000 0.795 775 E HN 0.325 nan 8.360 nan 0.000 0.504 776 S N -0.181 115.576 115.700 0.094 0.000 2.317 776 S HA -0.027 4.350 4.470 -0.155 0.000 0.212 776 S C 2.109 176.784 174.600 0.124 0.000 1.030 776 S CA 1.201 59.443 58.200 0.070 0.000 0.970 776 S CB -0.643 62.566 63.200 0.015 0.000 0.928 776 S HN 0.312 nan 8.310 nan 0.000 0.451 777 G N 0.971 109.901 108.800 0.217 0.000 2.653 777 G HA2 -0.007 3.860 3.960 -0.155 0.000 0.212 777 G HA3 -0.007 3.860 3.960 -0.155 0.000 0.212 777 G C 1.159 176.242 174.900 0.304 0.000 1.138 777 G CA 0.631 45.931 45.100 0.333 0.000 0.782 777 G HN 0.488 nan 8.290 nan 0.000 0.535 778 I N 1.655 122.339 120.570 0.190 0.000 2.130 778 I HA 0.084 4.161 4.170 -0.155 0.000 0.234 778 I C 2.927 179.099 176.117 0.092 0.000 1.067 778 I CA 1.134 62.480 61.300 0.078 0.000 1.339 778 I CB -1.009 36.942 38.000 -0.081 0.000 1.073 778 I HN 0.186 nan 8.210 nan 0.000 0.405 779 A N 2.323 125.199 122.820 0.092 0.000 1.883 779 A HA -0.274 3.953 4.320 -0.155 0.000 0.222 779 A C 0.139 177.887 177.584 0.275 0.000 1.339 779 A CA 3.355 55.513 52.037 0.203 0.000 0.692 779 A CB -2.827 16.293 19.000 0.200 0.000 0.845 779 A HN 0.512 nan 8.150 nan 0.000 0.467 780 P HA -0.174 nan 4.420 nan 0.000 0.214 780 P C 0.855 178.251 177.300 0.159 0.000 1.163 780 P CA 1.866 65.031 63.100 0.109 0.000 0.883 780 P CB -0.449 31.253 31.700 0.004 0.000 0.788 781 N N -0.883 117.943 118.700 0.211 0.000 2.061 781 N HA -0.187 4.460 4.740 -0.155 0.000 0.193 781 N C 1.633 177.436 175.510 0.488 0.000 1.030 781 N CA 1.152 54.394 53.050 0.319 0.000 0.856 781 N CB -0.927 37.838 38.487 0.462 0.000 1.023 781 N HN 0.050 nan 8.380 nan 0.000 0.424 782 F N 1.346 121.442 119.950 0.244 0.000 2.046 782 F HA -0.239 4.195 4.527 -0.154 0.000 0.297 782 F C 2.055 178.055 175.800 0.332 0.000 1.123 782 F CA 1.250 59.380 58.000 0.217 0.000 1.199 782 F CB -0.581 38.315 39.000 -0.173 0.000 0.972 782 F HN -0.176 nan 8.300 nan 0.000 0.474 783 V N 0.267 120.557 119.914 0.627 0.000 2.278 783 V HA -0.421 3.606 4.120 -0.155 0.000 0.251 783 V C 2.435 178.615 176.094 0.143 0.000 1.062 783 V CA 2.488 65.041 62.300 0.422 0.000 1.038 783 V CB -1.384 30.602 31.823 0.272 0.000 0.646 783 V HN 0.486 nan 8.190 nan 0.000 0.447 784 H N 0.355 119.450 119.070 0.043 0.000 2.460 784 H HA -0.150 4.346 4.556 -0.100 0.000 0.297 784 H C 2.588 177.858 175.328 -0.096 0.000 1.103 784 H CA 1.856 57.872 56.048 -0.054 0.000 1.292 784 H CB 0.133 29.871 29.762 -0.040 0.000 1.376 784 H HN 0.660 nan 8.280 nan 0.000 0.531 785 S N -0.018 115.719 115.700 0.061 0.000 2.406 785 S HA -0.112 4.265 4.470 -0.155 0.000 0.224 785 S C 2.068 176.614 174.600 -0.090 0.000 1.030 785 S CA 0.603 58.755 58.200 -0.080 0.000 0.958 785 S CB 0.185 63.360 63.200 -0.042 0.000 0.811 785 S HN 0.188 nan 8.310 nan 0.000 0.489 786 Q N 2.324 122.097 119.800 -0.045 0.000 1.993 786 Q HA -0.113 4.134 4.340 -0.155 0.000 0.202 786 Q C 1.688 177.764 176.000 0.127 0.000 0.984 786 Q CA 2.327 58.154 55.803 0.040 0.000 0.837 786 Q CB -0.734 28.100 28.738 0.160 0.000 0.902 786 Q HN 0.888 nan 8.270 nan 0.000 0.423 787 D N -1.369 118.987 120.400 -0.074 0.000 2.239 787 D HA -0.160 4.387 4.640 -0.155 0.000 0.202 787 D C 1.652 177.983 176.300 0.051 0.000 0.993 787 D CA 1.540 55.518 54.000 -0.038 0.000 0.874 787 D CB -0.738 39.831 40.800 -0.384 0.000 0.922 787 D HN 0.319 nan 8.370 nan 0.000 0.464 788 G N 0.157 108.918 108.800 -0.065 0.000 2.552 788 G HA2 -0.373 3.494 3.960 -0.155 0.000 0.216 788 G HA3 -0.373 3.494 3.960 -0.155 0.000 0.216 788 G C 1.648 176.531 174.900 -0.028 0.000 1.240 788 G CA 1.552 46.581 45.100 -0.118 0.000 0.796 788 G HN 0.411 nan 8.290 nan 0.000 0.568 789 S N -0.212 115.479 115.700 -0.015 0.000 2.434 789 S HA -0.391 3.986 4.470 -0.155 0.000 0.240 789 S C 2.158 176.826 174.600 0.113 0.000 1.052 789 S CA 2.144 60.358 58.200 0.024 0.000 1.198 789 S CB -0.964 62.251 63.200 0.025 0.000 1.124 789 S HN 0.561 nan 8.310 nan 0.000 0.426 790 H N 1.308 120.443 119.070 0.108 0.000 2.304 790 H HA -0.208 4.273 4.556 -0.125 0.000 0.287 790 H C 2.319 177.758 175.328 0.185 0.000 1.112 790 H CA 2.418 58.562 56.048 0.160 0.000 1.200 790 H CB -0.939 28.995 29.762 0.286 0.000 1.349 790 H HN 0.541 nan 8.280 nan 0.000 0.477 791 L N 0.440 121.962 121.223 0.497 0.000 2.056 791 L HA -0.088 4.159 4.340 -0.155 0.000 0.207 791 L C 2.937 179.954 176.870 0.245 0.000 1.078 791 L CA 1.359 56.543 54.840 0.573 0.000 0.749 791 L CB -0.360 41.892 42.059 0.322 0.000 0.901 791 L HN 0.058 nan 8.230 nan 0.000 0.433 792 R N 0.025 120.578 120.500 0.089 0.000 2.091 792 R HA -0.200 4.047 4.340 -0.155 0.000 0.238 792 R C 2.344 178.646 176.300 0.003 0.000 1.136 792 R CA 2.049 58.147 56.100 -0.003 0.000 0.959 792 R CB -0.262 30.011 30.300 -0.045 0.000 0.856 792 R HN 0.416 nan 8.270 nan 0.000 0.437 793 K N -0.458 119.952 120.400 0.017 0.000 1.973 793 K HA -0.097 4.130 4.320 -0.155 0.000 0.212 793 K C 2.148 178.776 176.600 0.047 0.000 1.047 793 K CA 2.125 58.415 56.287 0.004 0.000 0.937 793 K CB -0.273 32.184 32.500 -0.071 0.000 0.721 793 K HN 0.106 nan 8.250 nan 0.000 0.440 794 T N 1.239 115.792 114.554 -0.002 0.000 2.653 794 T HA -0.194 4.063 4.350 -0.155 0.000 0.268 794 T C 1.957 176.704 174.700 0.078 0.000 1.035 794 T CA 1.742 63.865 62.100 0.039 0.000 1.154 794 T CB -0.551 68.202 68.868 -0.192 0.000 0.862 794 T HN -0.037 nan 8.240 nan 0.000 0.441 795 V N 2.145 122.040 119.914 -0.032 0.000 2.231 795 V HA -0.261 3.766 4.120 -0.155 0.000 0.250 795 V C 2.720 178.721 176.094 -0.155 0.000 1.058 795 V CA 2.305 64.396 62.300 -0.348 0.000 1.022 795 V CB -1.488 30.077 31.823 -0.430 0.000 0.640 795 V HN 0.492 nan 8.190 nan 0.000 0.445 796 V N -1.032 118.873 119.914 -0.016 0.000 2.220 796 V HA -0.342 3.685 4.120 -0.155 0.000 0.242 796 V C 2.133 178.372 176.094 0.241 0.000 1.041 796 V CA 2.268 64.630 62.300 0.104 0.000 0.990 796 V CB -1.610 30.273 31.823 0.101 0.000 0.634 796 V HN 0.732 nan 8.190 nan 0.000 0.452 797 W N 1.789 123.123 121.300 0.056 0.000 2.274 797 W HA -0.417 4.147 4.660 -0.161 0.000 0.338 797 W C 2.444 179.067 176.519 0.173 0.000 1.348 797 W CA 3.075 60.473 57.345 0.089 0.000 1.202 797 W CB -0.742 28.741 29.460 0.038 0.000 1.116 797 W HN 0.412 nan 8.180 nan 0.000 0.473 798 A N -0.522 122.281 122.820 -0.028 0.000 2.272 798 A HA -0.264 3.963 4.320 -0.155 0.000 0.213 798 A C 1.488 179.110 177.584 0.064 0.000 1.183 798 A CA 2.195 54.123 52.037 -0.182 0.000 0.719 798 A CB -1.160 17.838 19.000 -0.003 0.000 0.771 798 A HN 0.764 nan 8.150 nan 0.000 0.484 799 H N -0.873 118.254 119.070 0.095 0.000 2.344 799 H HA 0.129 4.592 4.556 -0.156 0.000 0.307 799 H C 1.892 177.230 175.328 0.017 0.000 1.057 799 H CA 1.603 57.740 56.048 0.149 0.000 1.373 799 H CB -0.004 29.833 29.762 0.125 0.000 1.421 799 H HN 0.503 nan 8.280 nan 0.000 0.532 800 E N 0.468 120.626 120.200 -0.070 0.000 2.001 800 E HA -0.149 4.108 4.350 -0.155 0.000 0.193 800 E C 2.110 178.542 176.600 -0.280 0.000 0.994 800 E CA 0.738 57.056 56.400 -0.136 0.000 0.815 800 E CB 0.031 29.757 29.700 0.044 0.000 0.770 800 E HN 0.117 nan 8.360 nan 0.000 0.453 801 K N 0.855 120.973 120.400 -0.471 0.000 2.000 801 K HA -0.133 4.094 4.320 -0.155 0.000 0.218 801 K C 0.204 176.503 176.600 -0.501 0.000 1.053 801 K CA 1.591 57.446 56.287 -0.720 0.000 0.946 801 K CB -0.488 30.983 32.500 -1.716 0.000 0.723 801 K HN 0.155 nan 8.250 nan 0.000 0.446 802 Y N -0.715 119.267 120.300 -0.530 0.000 2.387 802 Y HA 0.330 4.789 4.550 -0.150 0.000 0.336 802 Y C 1.504 177.236 175.900 -0.281 0.000 1.067 802 Y CA -0.733 57.173 58.100 -0.323 0.000 1.114 802 Y CB 1.419 39.729 38.460 -0.251 0.000 1.208 802 Y HN 0.149 nan 8.280 nan 0.000 0.458 803 G N 3.146 111.899 108.800 -0.079 0.000 2.773 803 G HA2 -0.178 3.689 3.960 -0.155 0.000 0.208 803 G HA3 -0.178 3.689 3.960 -0.155 0.000 0.208 803 G C 0.369 175.192 174.900 -0.129 0.000 1.154 803 G CA 0.132 45.150 45.100 -0.137 0.000 0.769 803 G HN 0.559 nan 8.290 nan 0.000 0.555 804 I N 0.691 121.193 120.570 -0.114 0.000 2.587 804 I HA 0.086 4.163 4.170 -0.155 0.000 0.284 804 I C 1.228 177.351 176.117 0.011 0.000 1.134 804 I CA 0.238 61.438 61.300 -0.167 0.000 1.410 804 I CB 0.756 38.556 38.000 -0.333 0.000 1.392 804 I HN 0.443 nan 8.210 nan 0.000 0.545 805 E N 2.660 122.859 120.200 -0.002 0.000 2.641 805 E HA 0.191 4.448 4.350 -0.155 0.000 0.224 805 E C 0.027 176.729 176.600 0.170 0.000 0.951 805 E CA -0.280 56.282 56.400 0.271 0.000 1.102 805 E CB 0.775 30.596 29.700 0.202 0.000 1.091 805 E HN 0.388 nan 8.360 nan 0.000 0.507 806 S N 0.796 116.384 115.700 -0.187 0.000 2.653 806 S HA 0.483 4.860 4.470 -0.155 0.000 0.272 806 S C -1.435 172.922 174.600 -0.406 0.000 1.221 806 S CA -0.707 57.366 58.200 -0.212 0.000 1.149 806 S CB 0.022 63.056 63.200 -0.276 0.000 1.029 806 S HN 0.189 nan 8.310 nan 0.000 0.481 807 F N 1.535 121.405 119.950 -0.134 0.000 2.556 807 F HA 0.785 5.215 4.527 -0.161 0.000 0.327 807 F C 0.383 176.160 175.800 -0.040 0.000 1.059 807 F CA -1.378 56.575 58.000 -0.079 0.000 0.953 807 F CB 1.409 40.419 39.000 0.017 0.000 1.227 807 F HN 0.449 nan 8.300 nan 0.000 0.478 808 A N 3.086 126.055 122.820 0.248 0.000 2.293 808 A HA 0.745 4.972 4.320 -0.155 0.000 0.312 808 A C -1.193 176.532 177.584 0.235 0.000 1.309 808 A CA -0.472 51.742 52.037 0.295 0.000 0.839 808 A CB 0.022 19.114 19.000 0.153 0.000 1.155 808 A HN 0.746 nan 8.150 nan 0.000 0.501 809 L N 3.491 124.843 121.223 0.215 0.000 2.305 809 L HA 0.542 4.789 4.340 -0.155 0.000 0.284 809 L C -0.674 176.083 176.870 -0.188 0.000 1.013 809 L CA -0.233 54.618 54.840 0.018 0.000 0.819 809 L CB 1.592 43.689 42.059 0.063 0.000 1.227 809 L HN 0.653 nan 8.230 nan 0.000 0.417 810 I N 2.969 123.339 120.570 -0.333 0.000 2.925 810 I HA 0.207 4.284 4.170 -0.155 0.000 0.296 810 I C 0.350 176.174 176.117 -0.488 0.000 1.413 810 I CA -0.233 60.803 61.300 -0.441 0.000 0.932 810 I CB 0.183 38.039 38.000 -0.240 0.000 1.873 810 I HN 0.754 nan 8.210 nan 0.000 0.619 811 H N 1.331 120.171 119.070 -0.383 0.000 1.542 811 H HA -0.311 4.103 4.556 -0.236 0.000 0.090 811 H C 0.526 175.560 175.328 -0.489 0.000 0.566 811 H CA 2.422 58.217 56.048 -0.422 0.000 1.893 811 H CB -0.851 28.680 29.762 -0.384 0.000 2.245 811 H HN 0.699 nan 8.280 nan 0.000 0.960 812 D N 0.609 120.827 120.400 -0.303 0.000 2.894 812 D HA 0.482 5.029 4.640 -0.155 0.000 0.273 812 D C -0.666 175.336 176.300 -0.497 0.000 1.328 812 D CA 0.259 54.015 54.000 -0.407 0.000 0.845 812 D CB 1.121 41.785 40.800 -0.226 0.000 1.072 812 D HN 0.306 nan 8.370 nan 0.000 0.484 813 S N 0.256 115.535 115.700 -0.702 0.000 2.689 813 S HA 0.518 4.895 4.470 -0.155 0.000 0.274 813 S C -1.807 172.524 174.600 -0.450 0.000 1.176 813 S CA -0.792 57.124 58.200 -0.474 0.000 1.014 813 S CB 0.048 63.111 63.200 -0.228 0.000 1.071 813 S HN 0.117 nan 8.310 nan 0.000 0.478 814 F N 2.575 122.551 119.950 0.043 0.000 2.458 814 F HA 0.828 5.316 4.527 -0.065 0.000 0.336 814 F C 0.955 176.779 175.800 0.039 0.000 1.114 814 F CA -0.613 57.446 58.000 0.098 0.000 0.987 814 F CB 1.934 41.039 39.000 0.176 0.000 1.130 814 F HN 0.648 nan 8.300 nan 0.000 0.458 815 G N 0.667 109.589 108.800 0.203 0.000 2.672 815 G HA2 0.784 4.651 3.960 -0.155 0.000 0.292 815 G HA3 0.784 4.651 3.960 -0.155 0.000 0.292 815 G C -1.377 173.474 174.900 -0.081 0.000 1.375 815 G CA -0.766 44.311 45.100 -0.039 0.000 0.890 815 G HN 0.660 nan 8.290 nan 0.000 0.476 816 T N -0.860 113.554 114.554 -0.233 0.000 2.661 816 T HA 0.429 4.686 4.350 -0.155 0.000 0.305 816 T C -0.321 174.199 174.700 -0.300 0.000 1.441 816 T CA -0.580 61.328 62.100 -0.319 0.000 0.999 816 T CB 0.656 69.310 68.868 -0.357 0.000 1.650 816 T HN 1.003 nan 8.240 nan 0.000 0.489 817 I N -0.040 120.359 120.570 -0.285 0.000 2.638 817 I HA 0.364 4.441 4.170 -0.155 0.000 0.286 817 I C -1.764 174.271 176.117 -0.136 0.000 1.088 817 I CA -1.900 59.266 61.300 -0.222 0.000 1.397 817 I CB -0.032 37.841 38.000 -0.211 0.000 1.414 817 I HN 0.334 nan 8.210 nan 0.000 0.566 818 P HA -0.377 nan 4.420 nan 0.000 0.222 818 P C 1.331 178.687 177.300 0.094 0.000 1.157 818 P CA 2.726 65.841 63.100 0.024 0.000 0.905 818 P CB -0.041 31.670 31.700 0.019 0.000 0.792 819 A N -0.350 122.484 122.820 0.025 0.000 1.841 819 A HA -0.173 4.054 4.320 -0.155 0.000 0.214 819 A C 1.837 179.439 177.584 0.031 0.000 1.195 819 A CA 2.103 54.165 52.037 0.041 0.000 0.611 819 A CB -1.429 17.566 19.000 -0.007 0.000 0.835 819 A HN 0.125 nan 8.150 nan 0.000 0.443 820 D N 0.374 120.747 120.400 -0.046 0.000 2.371 820 D HA 0.168 4.715 4.640 -0.155 0.000 0.221 820 D C 1.866 178.134 176.300 -0.052 0.000 0.986 820 D CA 0.863 54.815 54.000 -0.079 0.000 0.899 820 D CB -0.341 40.346 40.800 -0.190 0.000 0.902 820 D HN 0.428 nan 8.370 nan 0.000 0.530 821 A N 1.630 124.456 122.820 0.010 0.000 1.859 821 A HA -0.193 4.034 4.320 -0.155 0.000 0.217 821 A C 2.398 180.020 177.584 0.063 0.000 1.198 821 A CA 2.574 54.653 52.037 0.071 0.000 0.629 821 A CB -1.123 17.927 19.000 0.085 0.000 0.830 821 A HN 0.260 nan 8.150 nan 0.000 0.446 822 A N -0.183 122.775 122.820 0.231 0.000 1.929 822 A HA -0.354 3.873 4.320 -0.155 0.000 0.221 822 A C 1.935 179.590 177.584 0.118 0.000 1.211 822 A CA 2.375 54.645 52.037 0.390 0.000 0.657 822 A CB -1.161 18.043 19.000 0.340 0.000 0.827 822 A HN 0.782 nan 8.150 nan 0.000 0.462 823 N N -0.980 117.729 118.700 0.015 0.000 2.051 823 N HA -0.098 4.549 4.740 -0.155 0.000 0.192 823 N C 1.685 177.057 175.510 -0.231 0.000 1.049 823 N CA 1.094 54.035 53.050 -0.182 0.000 0.845 823 N CB -0.268 38.048 38.487 -0.283 0.000 1.031 823 N HN 0.335 nan 8.380 nan 0.000 0.425 824 L N 1.250 122.378 121.223 -0.158 0.000 1.987 824 L HA -0.271 3.976 4.340 -0.155 0.000 0.230 824 L C 1.903 178.751 176.870 -0.037 0.000 1.089 824 L CA 1.732 56.525 54.840 -0.078 0.000 0.802 824 L CB -1.375 40.730 42.059 0.076 0.000 0.905 824 L HN 0.212 nan 8.230 nan 0.000 0.441 825 F N 0.387 120.158 119.950 -0.299 0.000 2.094 825 F HA -0.393 4.051 4.527 -0.138 0.000 0.296 825 F C 2.598 178.259 175.800 -0.232 0.000 1.070 825 F CA 2.783 60.489 58.000 -0.491 0.000 1.255 825 F CB -0.451 38.049 39.000 -0.832 0.000 1.000 825 F HN 0.331 nan 8.300 nan 0.000 0.490 826 K N -0.382 120.161 120.400 0.238 0.000 2.067 826 K HA 0.041 4.268 4.320 -0.155 0.000 0.203 826 K C 2.320 178.986 176.600 0.110 0.000 1.048 826 K CA 0.829 57.225 56.287 0.180 0.000 0.954 826 K CB -0.385 32.202 32.500 0.144 0.000 0.737 826 K HN 0.244 nan 8.250 nan 0.000 0.444 827 A N 1.526 124.357 122.820 0.018 0.000 1.927 827 A HA -0.201 4.026 4.320 -0.155 0.000 0.220 827 A C 2.239 179.905 177.584 0.136 0.000 1.185 827 A CA 2.412 54.572 52.037 0.205 0.000 0.639 827 A CB -1.106 17.902 19.000 0.014 0.000 0.820 827 A HN 0.286 nan 8.150 nan 0.000 0.451 828 V N -1.893 117.999 119.914 -0.037 0.000 2.223 828 V HA -0.262 3.765 4.120 -0.155 0.000 0.244 828 V C 2.207 178.275 176.094 -0.043 0.000 1.045 828 V CA 1.821 64.047 62.300 -0.123 0.000 1.000 828 V CB -1.296 30.410 31.823 -0.195 0.000 0.635 828 V HN 0.523 nan 8.190 nan 0.000 0.445 829 R N 0.396 120.887 120.500 -0.015 0.000 2.276 829 R HA -0.163 4.084 4.340 -0.155 0.000 0.243 829 R C 2.160 178.455 176.300 -0.008 0.000 1.161 829 R CA 1.739 57.845 56.100 0.010 0.000 1.007 829 R CB -0.368 29.947 30.300 0.025 0.000 0.867 829 R HN 0.742 nan 8.270 nan 0.000 0.472 830 E N -0.413 119.771 120.200 -0.027 0.000 2.034 830 E HA -0.068 4.189 4.350 -0.155 0.000 0.192 830 E C 1.871 178.312 176.600 -0.265 0.000 0.963 830 E CA 0.822 57.157 56.400 -0.108 0.000 0.831 830 E CB -0.202 29.484 29.700 -0.023 0.000 0.801 830 E HN 0.026 nan 8.360 nan 0.000 0.463 831 T N 1.148 115.492 114.554 -0.350 0.000 2.751 831 T HA -0.275 3.982 4.350 -0.155 0.000 0.268 831 T C 1.791 176.245 174.700 -0.411 0.000 1.045 831 T CA 1.895 63.726 62.100 -0.449 0.000 1.142 831 T CB -0.178 68.438 68.868 -0.419 0.000 0.851 831 T HN 0.072 nan 8.240 nan 0.000 0.474 832 M N 0.272 119.691 119.600 -0.301 0.000 2.218 832 M HA -0.063 4.324 4.480 -0.155 0.000 0.262 832 M C 2.195 178.510 176.300 0.025 0.000 1.081 832 M CA 1.819 57.082 55.300 -0.061 0.000 1.100 832 M CB -0.528 32.189 32.600 0.195 0.000 1.258 832 M HN 0.090 nan 8.290 nan 0.000 0.438 833 V N 1.134 121.052 119.914 0.008 0.000 2.511 833 V HA -0.342 3.685 4.120 -0.155 0.000 0.257 833 V C 2.160 178.245 176.094 -0.015 0.000 1.088 833 V CA 2.191 64.504 62.300 0.022 0.000 1.098 833 V CB -1.515 30.301 31.823 -0.012 0.000 0.674 833 V HN 0.666 nan 8.190 nan 0.000 0.470 834 D N 0.420 120.757 120.400 -0.105 0.000 2.078 834 D HA -0.157 4.390 4.640 -0.155 0.000 0.193 834 D C 2.204 178.428 176.300 -0.126 0.000 0.990 834 D CA 2.170 56.079 54.000 -0.152 0.000 0.827 834 D CB -0.215 40.426 40.800 -0.265 0.000 0.975 834 D HN 0.463 nan 8.370 nan 0.000 0.451 835 T N -0.687 113.785 114.554 -0.137 0.000 2.746 835 T HA -0.168 4.089 4.350 -0.155 0.000 0.267 835 T C 1.845 176.324 174.700 -0.369 0.000 1.039 835 T CA 1.168 63.136 62.100 -0.220 0.000 1.142 835 T CB -0.540 68.206 68.868 -0.204 0.000 0.866 835 T HN 0.248 nan 8.240 nan 0.000 0.444 836 Y N 1.260 121.535 120.300 -0.042 0.000 2.395 836 Y HA 0.069 4.524 4.550 -0.158 0.000 0.293 836 Y C 2.549 178.436 175.900 -0.022 0.000 1.123 836 Y CA 0.476 58.565 58.100 -0.019 0.000 1.227 836 Y CB -0.073 38.376 38.460 -0.020 0.000 1.012 836 Y HN 0.291 nan 8.280 nan 0.000 0.552 837 E N -0.556 119.660 120.200 0.027 0.000 2.028 837 E HA -0.148 4.109 4.350 -0.155 0.000 0.190 837 E C 2.244 178.825 176.600 -0.032 0.000 0.984 837 E CA 1.343 57.745 56.400 0.003 0.000 0.800 837 E CB -0.161 29.531 29.700 -0.013 0.000 0.758 837 E HN 0.257 nan 8.360 nan 0.000 0.448 838 S N -0.009 115.653 115.700 -0.063 0.000 2.419 838 S HA -0.093 4.284 4.470 -0.155 0.000 0.233 838 S C 0.937 175.498 174.600 -0.065 0.000 1.016 838 S CA 0.797 58.958 58.200 -0.065 0.000 0.974 838 S CB -0.135 63.017 63.200 -0.080 0.000 0.786 838 S HN 0.326 nan 8.310 nan 0.000 0.492 839 C N -0.493 118.750 119.300 -0.095 0.000 3.318 839 C HA 0.749 5.116 4.460 -0.155 0.000 0.329 839 C C -0.739 174.213 174.990 -0.064 0.000 1.449 839 C CA -1.262 57.713 59.018 -0.073 0.000 1.397 839 C CB 1.202 28.898 27.740 -0.073 0.000 1.810 839 C HN 0.286 nan 8.230 nan 0.000 0.449 840 D N -0.214 120.175 120.400 -0.018 0.000 2.613 840 D HA 0.373 4.920 4.640 -0.155 0.000 0.312 840 D C 1.175 177.517 176.300 0.070 0.000 1.202 840 D CA -0.356 53.654 54.000 0.016 0.000 0.825 840 D CB 0.482 41.291 40.800 0.015 0.000 1.113 840 D HN 0.481 nan 8.370 nan 0.000 0.502 841 V N 0.247 120.214 119.914 0.089 0.000 2.353 841 V HA -0.347 3.680 4.120 -0.155 0.000 0.260 841 V C 2.315 178.614 176.094 0.341 0.000 1.091 841 V CA 1.192 63.633 62.300 0.236 0.000 1.088 841 V CB -1.022 30.978 31.823 0.294 0.000 0.672 841 V HN 0.383 nan 8.190 nan 0.000 0.455 842 L N 0.950 122.293 121.223 0.200 0.000 1.956 842 L HA -0.159 4.088 4.340 -0.155 0.000 0.216 842 L C 2.757 179.699 176.870 0.121 0.000 1.073 842 L CA 2.658 57.517 54.840 0.031 0.000 0.762 842 L CB -1.384 40.528 42.059 -0.245 0.000 0.889 842 L HN 0.358 nan 8.230 nan 0.000 0.433 843 A N -1.083 121.778 122.820 0.068 0.000 1.858 843 A HA -0.247 3.980 4.320 -0.155 0.000 0.216 843 A C 2.018 179.719 177.584 0.195 0.000 1.190 843 A CA 1.894 54.011 52.037 0.134 0.000 0.617 843 A CB -0.943 18.088 19.000 0.050 0.000 0.827 843 A HN 0.548 nan 8.150 nan 0.000 0.443 844 D N -0.978 119.525 120.400 0.171 0.000 2.170 844 D HA -0.219 4.328 4.640 -0.155 0.000 0.193 844 D C 1.579 178.039 176.300 0.267 0.000 1.004 844 D CA 1.772 55.878 54.000 0.178 0.000 0.860 844 D CB -0.468 40.440 40.800 0.181 0.000 0.931 844 D HN 0.471 nan 8.370 nan 0.000 0.448 845 F N 0.711 120.817 119.950 0.260 0.000 2.250 845 F HA -0.243 4.195 4.527 -0.148 0.000 0.301 845 F C 2.102 178.124 175.800 0.371 0.000 1.077 845 F CA 0.808 59.025 58.000 0.363 0.000 1.348 845 F CB -0.388 38.844 39.000 0.386 0.000 1.040 845 F HN -0.081 nan 8.300 nan 0.000 0.509 846 Y N 1.552 121.824 120.300 -0.047 0.000 2.109 846 Y HA -0.196 4.261 4.550 -0.155 0.000 0.285 846 Y C 2.400 177.916 175.900 -0.640 0.000 1.131 846 Y CA 2.001 59.806 58.100 -0.492 0.000 1.121 846 Y CB -1.115 37.262 38.460 -0.138 0.000 0.987 846 Y HN 0.028 nan 8.280 nan 0.000 0.495 847 D N -0.067 120.295 120.400 -0.063 0.000 2.220 847 D HA -0.222 4.325 4.640 -0.155 0.000 0.198 847 D C 2.067 178.303 176.300 -0.105 0.000 1.001 847 D CA 1.355 55.281 54.000 -0.123 0.000 0.875 847 D CB -0.102 40.658 40.800 -0.067 0.000 0.921 847 D HN 0.489 nan 8.370 nan 0.000 0.454 848 Q N -0.300 119.439 119.800 -0.100 0.000 1.993 848 Q HA -0.138 4.109 4.340 -0.155 0.000 0.202 848 Q C 2.462 178.468 176.000 0.011 0.000 0.984 848 Q CA 1.184 56.983 55.803 -0.007 0.000 0.837 848 Q CB -0.586 28.190 28.738 0.064 0.000 0.902 848 Q HN 0.552 nan 8.270 nan 0.000 0.423 849 F N -0.787 119.065 119.950 -0.164 0.000 2.220 849 F HA 0.373 4.807 4.527 -0.156 0.000 0.290 849 F C 2.194 177.997 175.800 0.005 0.000 1.080 849 F CA 0.384 58.330 58.000 -0.089 0.000 1.318 849 F CB -1.168 37.707 39.000 -0.209 0.000 1.063 849 F HN 0.018 nan 8.300 nan 0.000 0.498 850 A N 2.078 124.572 122.820 -0.545 0.000 1.670 850 A HA -0.444 3.783 4.320 -0.155 0.000 0.312 850 A C 1.602 179.210 177.584 0.040 0.000 3.495 850 A CA 2.824 54.778 52.037 -0.138 0.000 0.917 850 A CB -2.054 16.916 19.000 -0.051 0.000 0.783 850 A HN 0.739 nan 8.150 nan 0.000 0.530 851 D N -0.482 119.932 120.400 0.025 0.000 2.494 851 D HA 0.048 4.595 4.640 -0.155 0.000 0.249 851 D C 0.783 177.136 176.300 0.089 0.000 1.223 851 D CA 0.746 54.776 54.000 0.051 0.000 0.865 851 D CB -0.174 40.646 40.800 0.033 0.000 0.974 851 D HN 0.805 nan 8.370 nan 0.000 0.491 852 Q N -0.046 119.832 119.800 0.130 0.000 2.113 852 Q HA 0.212 4.459 4.340 -0.155 0.000 0.225 852 Q C 0.264 176.355 176.000 0.152 0.000 0.786 852 Q CA -0.150 55.741 55.803 0.146 0.000 0.989 852 Q CB 1.391 30.235 28.738 0.176 0.000 1.174 852 Q HN 0.306 nan 8.270 nan 0.000 0.470 853 L N 2.175 123.494 121.223 0.161 0.000 2.315 853 L HA 0.252 4.499 4.340 -0.155 0.000 0.283 853 L C 0.374 177.322 176.870 0.131 0.000 1.089 853 L CA -0.563 54.363 54.840 0.143 0.000 0.833 853 L CB -0.118 42.026 42.059 0.141 0.000 1.170 853 L HN 0.174 nan 8.230 nan 0.000 0.442 854 H N 2.466 121.559 119.070 0.039 0.000 2.998 854 H HA -0.127 4.336 4.556 -0.155 0.000 0.353 854 H C 1.143 176.488 175.328 0.028 0.000 1.099 854 H CA 1.076 57.141 56.048 0.029 0.000 1.393 854 H CB 0.645 30.418 29.762 0.018 0.000 1.343 854 H HN 0.728 nan 8.280 nan 0.000 0.609 855 E N 1.805 121.646 120.200 -0.598 0.000 2.082 855 E HA -0.352 3.905 4.350 -0.155 0.000 0.215 855 E C 2.029 178.456 176.600 -0.289 0.000 1.048 855 E CA 2.653 58.790 56.400 -0.439 0.000 0.869 855 E CB -0.321 29.053 29.700 -0.544 0.000 0.773 855 E HN 0.785 nan 8.360 nan 0.000 0.466 856 S N 0.413 115.902 115.700 -0.351 0.000 2.423 856 S HA -0.266 4.111 4.470 -0.155 0.000 0.238 856 S C 1.867 176.470 174.600 0.005 0.000 1.028 856 S CA 1.793 59.958 58.200 -0.059 0.000 1.000 856 S CB -0.552 62.722 63.200 0.125 0.000 0.797 856 S HN 0.610 nan 8.310 nan 0.000 0.487 857 Q N 0.345 120.158 119.800 0.022 0.000 2.319 857 Q HA 0.362 4.609 4.340 -0.155 0.000 0.202 857 Q C 1.707 177.714 176.000 0.012 0.000 0.896 857 Q CA -0.104 55.714 55.803 0.026 0.000 0.942 857 Q CB -0.494 28.269 28.738 0.041 0.000 1.083 857 Q HN 0.466 nan 8.270 nan 0.000 0.510 858 L N 2.033 123.260 121.223 0.006 0.000 2.450 858 L HA -0.218 4.029 4.340 -0.155 0.000 0.225 858 L C 1.252 178.137 176.870 0.025 0.000 1.145 858 L CA 1.608 56.461 54.840 0.021 0.000 0.801 858 L CB -0.284 41.781 42.059 0.011 0.000 0.924 858 L HN 0.434 nan 8.230 nan 0.000 0.447 859 D N -2.308 118.099 120.400 0.012 0.000 2.380 859 D HA -0.122 4.425 4.640 -0.155 0.000 0.212 859 D C 1.894 178.196 176.300 0.003 0.000 1.021 859 D CA 0.074 54.082 54.000 0.014 0.000 0.884 859 D CB -0.209 40.598 40.800 0.012 0.000 1.001 859 D HN -0.196 nan 8.370 nan 0.000 0.506 860 K N -0.044 120.349 120.400 -0.010 0.000 2.555 860 K HA 0.096 4.323 4.320 -0.155 0.000 0.193 860 K C 0.068 176.630 176.600 -0.063 0.000 1.032 860 K CA -0.077 56.193 56.287 -0.028 0.000 1.004 860 K CB -0.370 32.111 32.500 -0.031 0.000 0.804 860 K HN 0.221 nan 8.250 nan 0.000 0.496 861 M N 2.953 122.515 119.600 -0.063 0.000 2.365 861 M HA 0.236 4.623 4.480 -0.155 0.000 0.350 861 M C -2.240 174.006 176.300 -0.089 0.000 1.274 861 M CA -2.978 52.241 55.300 -0.136 0.000 1.252 861 M CB 0.645 33.172 32.600 -0.122 0.000 1.297 861 M HN -0.200 nan 8.290 nan 0.000 0.438 862 P HA 0.122 nan 4.420 nan 0.000 0.271 862 P C -0.857 176.579 177.300 0.226 0.000 1.228 862 P CA -0.135 62.996 63.100 0.051 0.000 0.797 862 P CB 0.196 31.933 31.700 0.062 0.000 0.914 863 A N 1.017 124.022 122.820 0.308 0.000 2.302 863 A HA 0.382 4.609 4.320 -0.155 0.000 0.285 863 A C -0.075 177.765 177.584 0.428 0.000 1.105 863 A CA -0.603 51.663 52.037 0.381 0.000 0.816 863 A CB -0.224 18.902 19.000 0.210 0.000 1.067 863 A HN 0.452 nan 8.150 nan 0.000 0.489 864 L N 3.559 124.921 121.223 0.232 0.000 2.562 864 L HA 0.192 4.439 4.340 -0.155 0.000 0.271 864 L C -1.470 175.312 176.870 -0.146 0.000 1.167 864 L CA -0.465 54.201 54.840 -0.290 0.000 0.917 864 L CB -0.389 41.484 42.059 -0.310 0.000 1.187 864 L HN 0.521 nan 8.230 nan 0.000 0.482 865 P HA -0.014 nan 4.420 nan 0.000 0.264 865 P C -0.261 176.999 177.300 -0.067 0.000 1.179 865 P CA -0.247 62.814 63.100 -0.065 0.000 0.763 865 P CB 0.498 32.158 31.700 -0.065 0.000 0.806 866 A N 3.206 126.010 122.820 -0.025 0.000 2.455 866 A HA 0.106 4.333 4.320 -0.155 0.000 0.244 866 A C 0.790 178.357 177.584 -0.028 0.000 1.099 866 A CA 0.396 52.420 52.037 -0.021 0.000 0.786 866 A CB -0.156 18.841 19.000 -0.004 0.000 1.051 866 A HN 0.502 nan 8.150 nan 0.000 0.508 867 K N -0.808 119.580 120.400 -0.021 0.000 2.761 867 K HA 0.660 4.887 4.320 -0.155 0.000 0.286 867 K C 0.774 177.369 176.600 -0.007 0.000 1.019 867 K CA 0.637 56.914 56.287 -0.016 0.000 1.070 867 K CB 0.291 32.786 32.500 -0.009 0.000 1.387 867 K HN 0.940 nan 8.250 nan 0.000 0.509 868 G N -1.015 107.784 108.800 -0.002 0.000 3.135 868 G HA2 0.280 4.147 3.960 -0.155 0.000 0.278 868 G HA3 0.280 4.147 3.960 -0.155 0.000 0.278 868 G C -0.978 173.923 174.900 0.002 0.000 1.302 868 G CA -0.794 44.306 45.100 -0.000 0.000 0.880 868 G HN 0.592 nan 8.290 nan 0.000 0.574 869 N N -0.566 118.135 118.700 0.002 0.000 2.328 869 N HA 0.240 4.887 4.740 -0.155 0.000 0.247 869 N C -0.157 175.355 175.510 0.003 0.000 1.165 869 N CA -0.355 52.696 53.050 0.002 0.000 0.873 869 N CB 1.102 39.590 38.487 0.002 0.000 1.125 869 N HN 0.238 nan 8.380 nan 0.000 0.513 870 L N 1.185 122.410 121.223 0.003 0.000 2.349 870 L HA 0.271 4.518 4.340 -0.155 0.000 0.275 870 L C -0.141 176.731 176.870 0.003 0.000 1.115 870 L CA -0.229 54.612 54.840 0.002 0.000 0.820 870 L CB 0.679 42.737 42.059 -0.002 0.000 1.135 870 L HN 0.078 nan 8.230 nan 0.000 0.445 871 N N 3.841 122.543 118.700 0.002 0.000 2.699 871 N HA 0.229 4.876 4.740 -0.155 0.000 0.232 871 N C 0.835 176.346 175.510 0.002 0.000 1.027 871 N CA -0.400 52.652 53.050 0.003 0.000 0.920 871 N CB 0.319 38.807 38.487 0.002 0.000 1.148 871 N HN 0.801 nan 8.380 nan 0.000 0.509 872 L N 1.518 122.745 121.223 0.005 0.000 2.166 872 L HA -0.386 3.861 4.340 -0.155 0.000 0.228 872 L C 2.363 179.233 176.870 0.002 0.000 1.101 872 L CA 1.493 56.336 54.840 0.005 0.000 0.821 872 L CB -0.346 41.730 42.059 0.028 0.000 0.908 872 L HN 0.615 nan 8.230 nan 0.000 0.447 873 R N 0.025 120.526 120.500 0.002 0.000 2.211 873 R HA -0.182 4.065 4.340 -0.155 0.000 0.240 873 R C 1.694 177.992 176.300 -0.002 0.000 1.144 873 R CA 1.468 57.567 56.100 -0.002 0.000 0.992 873 R CB -0.774 29.524 30.300 -0.003 0.000 0.869 873 R HN 0.616 nan 8.270 nan 0.000 0.462 874 D N 0.660 121.059 120.400 -0.002 0.000 2.144 874 D HA -0.151 4.396 4.640 -0.155 0.000 0.199 874 D C 1.977 178.276 176.300 -0.002 0.000 0.984 874 D CA 0.856 54.854 54.000 -0.002 0.000 0.834 874 D CB -0.153 40.646 40.800 -0.000 0.000 0.955 874 D HN 0.243 nan 8.370 nan 0.000 0.465 875 I N 1.281 121.850 120.570 -0.002 0.000 2.147 875 I HA -0.329 3.748 4.170 -0.155 0.000 0.245 875 I C 2.329 178.450 176.117 0.007 0.000 1.059 875 I CA 1.092 62.393 61.300 0.001 0.000 1.320 875 I CB -0.334 37.665 38.000 -0.002 0.000 1.021 875 I HN 0.032 nan 8.210 nan 0.000 0.415 876 L N -0.117 121.111 121.223 0.009 0.000 2.450 876 L HA -0.208 4.039 4.340 -0.155 0.000 0.225 876 L C 1.444 178.326 176.870 0.021 0.000 1.145 876 L CA 1.108 55.961 54.840 0.022 0.000 0.801 876 L CB -0.427 41.641 42.059 0.016 0.000 0.924 876 L HN 0.242 nan 8.230 nan 0.000 0.447 877 E N -1.572 118.628 120.200 -0.001 0.000 2.660 877 E HA 0.116 4.373 4.350 -0.155 0.000 0.216 877 E C 0.114 176.678 176.600 -0.059 0.000 0.986 877 E CA -0.063 56.321 56.400 -0.027 0.000 1.037 877 E CB 0.784 30.463 29.700 -0.035 0.000 1.041 877 E HN 0.010 nan 8.360 nan 0.000 0.480 878 S N 1.995 117.669 115.700 -0.043 0.000 2.701 878 S HA 0.024 4.401 4.470 -0.155 0.000 0.317 878 S C 0.699 175.210 174.600 -0.148 0.000 1.149 878 S CA -0.281 57.869 58.200 -0.084 0.000 1.052 878 S CB 0.379 63.574 63.200 -0.008 0.000 1.257 878 S HN 0.222 nan 8.310 nan 0.000 0.532 879 D N 2.115 122.288 120.400 -0.378 0.000 2.170 879 D HA -0.173 4.374 4.640 -0.155 0.000 0.193 879 D C 0.895 177.055 176.300 -0.234 0.000 1.004 879 D CA 1.719 55.447 54.000 -0.453 0.000 0.860 879 D CB 0.070 40.228 40.800 -1.069 0.000 0.931 879 D HN 0.553 nan 8.370 nan 0.000 0.448 880 F N 0.039 120.117 119.950 0.213 0.000 2.698 880 F HA 0.263 4.692 4.527 -0.162 0.000 0.295 880 F C 1.945 177.963 175.800 0.363 0.000 1.124 880 F CA -0.239 57.891 58.000 0.218 0.000 1.426 880 F CB -0.544 38.597 39.000 0.236 0.000 1.120 880 F HN -0.167 nan 8.300 nan 0.000 0.583 881 A N 0.710 123.717 122.820 0.311 0.000 2.416 881 A HA 0.213 4.440 4.320 -0.155 0.000 0.252 881 A C -0.083 177.664 177.584 0.271 0.000 1.353 881 A CA -0.488 51.709 52.037 0.266 0.000 0.996 881 A CB -2.083 16.987 19.000 0.117 0.000 0.961 881 A HN 0.077 nan 8.150 nan 0.000 0.523 882 F N -0.658 119.232 119.950 -0.101 0.000 2.295 882 F HA 0.103 4.555 4.527 -0.126 0.000 0.410 882 F C 1.293 177.006 175.800 -0.145 0.000 0.891 882 F CA 0.421 58.232 58.000 -0.315 0.000 1.125 882 F CB -1.594 37.335 39.000 -0.118 0.000 0.860 882 F HN 0.899 nan 8.300 nan 0.000 0.551 883 A N 0.000 122.819 122.820 -0.002 0.000 2.254 883 A HA 0.000 4.227 4.320 -0.155 0.000 0.244 883 A CA 0.000 52.090 52.037 0.089 0.000 0.836 883 A CB 0.000 19.236 19.000 0.393 0.000 0.831 883 A HN 0.000 nan 8.150 nan 0.000 0.486