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_D 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 0.000 175.572 175.510 0.104 0.000 1.280 2 N CA 0.000 53.102 53.050 0.087 0.000 0.885 2 N CB 0.000 38.523 38.487 0.061 0.000 1.341 3 T N -0.701 113.944 114.554 0.152 0.000 2.934 3 T HA 0.193 4.542 4.350 -0.002 0.000 0.306 3 T C 0.969 175.713 174.700 0.072 0.000 1.042 3 T CA -0.049 62.129 62.100 0.131 0.000 1.145 3 T CB 0.519 69.508 68.868 0.202 0.000 0.982 3 T HN 0.161 nan 8.240 nan 0.000 0.544 4 I N 3.298 123.887 120.570 0.032 0.000 2.818 4 I HA -0.037 4.132 4.170 -0.002 0.000 0.285 4 I C 1.190 177.310 176.117 0.005 0.000 1.160 4 I CA -0.159 61.146 61.300 0.009 0.000 1.370 4 I CB -0.812 37.177 38.000 -0.018 0.000 1.440 4 I HN 0.731 nan 8.210 nan 0.000 0.555 5 N N 7.302 126.020 118.700 0.031 0.000 2.357 5 N HA -0.063 4.676 4.740 -0.002 0.000 0.257 5 N C 0.713 176.233 175.510 0.017 0.000 1.250 5 N CA 0.228 53.309 53.050 0.052 0.000 0.862 5 N CB 0.726 39.257 38.487 0.073 0.000 1.066 5 N HN 0.399 nan 8.380 nan 0.000 0.468 6 I N 2.031 122.617 120.570 0.026 0.000 3.427 6 I HA 0.048 4.217 4.170 -0.002 0.000 0.288 6 I C 1.337 177.418 176.117 -0.059 0.000 1.249 6 I CA 0.287 61.489 61.300 -0.163 0.000 1.421 6 I CB -1.766 36.018 38.000 -0.359 0.000 1.086 6 I HN 0.662 nan 8.210 nan 0.000 0.448 7 A N 1.821 124.822 122.820 0.302 0.000 2.253 7 A HA -0.015 4.304 4.320 -0.002 0.000 0.225 7 A C 1.134 178.855 177.584 0.229 0.000 1.521 7 A CA 0.543 52.843 52.037 0.438 0.000 1.494 7 A CB -0.785 18.395 19.000 0.301 0.000 0.804 7 A HN 0.328 nan 8.150 nan 0.000 0.614 8 K N -0.984 119.487 120.400 0.118 0.000 1.932 8 K HA 0.179 4.498 4.320 -0.002 0.000 0.262 8 K C 0.991 177.625 176.600 0.057 0.000 0.987 8 K CA -0.196 56.128 56.287 0.062 0.000 1.217 8 K CB 0.076 32.579 32.500 0.004 0.000 2.659 8 K HN 0.217 nan 8.250 nan 0.000 0.982 9 N N 1.547 120.256 118.700 0.014 0.000 2.520 9 N HA -0.163 4.576 4.740 -0.002 0.000 0.185 9 N C 1.183 176.676 175.510 -0.027 0.000 1.068 9 N CA 1.151 54.211 53.050 0.017 0.000 0.911 9 N CB -0.033 38.456 38.487 0.004 0.000 0.961 9 N HN 0.404 nan 8.380 nan 0.000 0.446 10 D N -0.367 119.956 120.400 -0.127 0.000 2.092 10 D HA -0.178 4.461 4.640 -0.002 0.000 0.193 10 D C 1.180 177.339 176.300 -0.235 0.000 0.994 10 D CA 1.124 54.967 54.000 -0.262 0.000 0.828 10 D CB -0.147 40.344 40.800 -0.514 0.000 0.963 10 D HN 0.240 nan 8.370 nan 0.000 0.450 11 F N 1.062 120.977 119.950 -0.059 0.000 2.234 11 F HA 0.022 4.548 4.527 -0.002 0.000 0.296 11 F C 2.937 178.707 175.800 -0.051 0.000 1.089 11 F CA 0.452 58.335 58.000 -0.194 0.000 1.343 11 F CB -0.924 37.931 39.000 -0.242 0.000 1.040 11 F HN -0.105 nan 8.300 nan 0.000 0.498 12 S N -0.040 115.835 115.700 0.292 0.000 2.420 12 S HA -0.275 4.194 4.470 -0.002 0.000 0.237 12 S C 1.958 176.647 174.600 0.148 0.000 1.023 12 S CA 1.244 59.596 58.200 0.253 0.000 0.991 12 S CB -0.633 62.656 63.200 0.149 0.000 0.792 12 S HN 0.511 nan 8.310 nan 0.000 0.488 13 D N 1.810 122.257 120.400 0.079 0.000 2.303 13 D HA -0.238 4.401 4.640 -0.002 0.000 0.190 13 D C 0.501 176.834 176.300 0.056 0.000 1.011 13 D CA 1.252 55.274 54.000 0.037 0.000 0.860 13 D CB -0.299 40.493 40.800 -0.013 0.000 0.961 13 D HN 0.357 nan 8.370 nan 0.000 0.453 14 I N 1.870 122.469 120.570 0.049 0.000 2.553 14 I HA 0.045 4.214 4.170 -0.002 0.000 0.295 14 I C 0.394 176.585 176.117 0.124 0.000 1.128 14 I CA 0.117 61.452 61.300 0.059 0.000 2.128 14 I CB -0.830 37.155 38.000 -0.025 0.000 1.543 14 I HN 0.032 nan 8.210 nan 0.000 0.970 15 E N 3.897 124.160 120.200 0.105 0.000 2.292 15 E HA 0.053 4.402 4.350 -0.002 0.000 0.265 15 E C 0.812 177.435 176.600 0.038 0.000 1.093 15 E CA -0.231 56.222 56.400 0.088 0.000 0.922 15 E CB 0.439 30.198 29.700 0.098 0.000 1.001 15 E HN 0.611 nan 8.360 nan 0.000 0.444 16 L N 2.306 123.505 121.223 -0.041 0.000 2.779 16 L HA 0.457 4.796 4.340 -0.002 0.000 0.239 16 L C 0.733 177.470 176.870 -0.221 0.000 1.245 16 L CA 0.420 55.143 54.840 -0.195 0.000 1.064 16 L CB 0.405 42.367 42.059 -0.162 0.000 1.350 16 L HN 0.463 nan 8.230 nan 0.000 0.455 17 A N -0.428 122.374 122.820 -0.029 0.000 2.574 17 A HA 0.775 5.094 4.320 -0.002 0.000 0.170 17 A C 0.721 178.513 177.584 0.347 0.000 1.617 17 A CA 0.380 52.492 52.037 0.125 0.000 1.189 17 A CB 0.407 19.441 19.000 0.057 0.000 1.496 17 A HN 0.532 nan 8.150 nan 0.000 0.505 18 A N 0.740 123.754 122.820 0.324 0.000 2.768 18 A HA 0.663 4.982 4.320 -0.002 0.000 0.298 18 A C -1.076 176.642 177.584 0.222 0.000 1.159 18 A CA -0.088 52.096 52.037 0.245 0.000 0.783 18 A CB 0.389 19.462 19.000 0.122 0.000 1.333 18 A HN 0.397 nan 8.150 nan 0.000 0.412 19 I N 1.452 122.189 120.570 0.278 0.000 3.176 19 I HA 0.419 4.587 4.170 -0.002 0.000 0.311 19 I C -2.442 173.738 176.117 0.105 0.000 1.373 19 I CA -1.592 59.838 61.300 0.216 0.000 0.938 19 I CB 2.582 40.753 38.000 0.284 0.000 1.322 19 I HN 0.328 nan 8.210 nan 0.000 0.499 20 P HA 0.158 nan 4.420 nan 0.000 0.225 20 P C 0.249 177.576 177.300 0.046 0.000 1.768 20 P CA 0.138 63.235 63.100 -0.005 0.000 0.943 20 P CB -1.097 30.615 31.700 0.020 0.000 1.936 21 F N -0.508 119.466 119.950 0.039 0.000 2.693 21 F HA 0.251 4.777 4.527 -0.002 0.000 0.303 21 F C 1.234 177.028 175.800 -0.010 0.000 1.097 21 F CA -0.698 57.324 58.000 0.037 0.000 1.330 21 F CB -1.053 37.965 39.000 0.029 0.000 1.067 21 F HN -0.163 nan 8.300 nan 0.000 0.565 22 N N 0.525 118.938 118.700 -0.479 0.000 2.585 22 N HA -0.140 4.599 4.740 -0.002 0.000 0.188 22 N C 1.209 176.617 175.510 -0.169 0.000 1.102 22 N CA 1.282 54.099 53.050 -0.389 0.000 0.920 22 N CB -0.595 37.678 38.487 -0.357 0.000 0.963 22 N HN 0.396 nan 8.380 nan 0.000 0.447 23 T N 1.708 116.220 114.554 -0.069 0.000 2.732 23 T HA 0.042 4.391 4.350 -0.002 0.000 0.261 23 T C 2.209 176.866 174.700 -0.072 0.000 1.040 23 T CA 0.484 62.552 62.100 -0.053 0.000 1.145 23 T CB -0.069 68.889 68.868 0.150 0.000 0.866 23 T HN 0.103 nan 8.240 nan 0.000 0.427 24 L N 0.698 121.913 121.223 -0.014 0.000 1.973 24 L HA -0.055 4.284 4.340 -0.002 0.000 0.208 24 L C 3.064 179.974 176.870 0.066 0.000 1.073 24 L CA 1.269 56.069 54.840 -0.066 0.000 0.746 24 L CB -0.801 41.175 42.059 -0.137 0.000 0.891 24 L HN 0.239 nan 8.230 nan 0.000 0.433 25 A N 0.274 123.214 122.820 0.199 0.000 1.882 25 A HA -0.398 3.921 4.320 -0.002 0.000 0.220 25 A C 1.967 179.574 177.584 0.037 0.000 1.253 25 A CA 2.698 54.842 52.037 0.179 0.000 0.664 25 A CB -1.124 17.993 19.000 0.195 0.000 0.838 25 A HN 0.536 nan 8.150 nan 0.000 0.460 26 D N -2.146 118.220 120.400 -0.056 0.000 2.218 26 D HA -0.140 4.498 4.640 -0.002 0.000 0.204 26 D C 1.666 177.894 176.300 -0.119 0.000 0.976 26 D CA 1.548 55.483 54.000 -0.109 0.000 0.853 26 D CB -0.286 40.404 40.800 -0.184 0.000 0.939 26 D HN 0.771 nan 8.370 nan 0.000 0.481 27 H N -2.474 116.447 119.070 -0.247 0.000 2.431 27 H HA 0.062 4.616 4.556 -0.002 0.000 0.295 27 H C 0.354 175.325 175.328 -0.596 0.000 1.038 27 H CA 0.678 56.415 56.048 -0.518 0.000 1.360 27 H CB 0.439 29.726 29.762 -0.791 0.000 1.433 27 H HN 0.188 nan 8.280 nan 0.000 0.536 28 Y N -0.664 119.669 120.300 0.055 0.000 2.712 28 Y HA 0.361 4.910 4.550 -0.002 0.000 0.250 28 Y C 0.482 176.396 175.900 0.024 0.000 1.101 28 Y CA -0.049 58.060 58.100 0.015 0.000 1.118 28 Y CB 1.141 39.578 38.460 -0.039 0.000 1.203 28 Y HN 0.244 nan 8.280 nan 0.000 0.587 29 G N 0.668 109.545 108.800 0.129 0.000 2.692 29 G HA2 -0.187 3.772 3.960 -0.002 0.000 0.686 29 G HA3 -0.187 3.772 3.960 -0.002 0.000 0.686 29 G C 0.427 175.391 174.900 0.107 0.000 1.243 29 G CA -0.398 44.764 45.100 0.104 0.000 0.782 29 G HN 0.210 nan 8.290 nan 0.000 0.625 30 E N 0.668 120.922 120.200 0.091 0.000 2.077 30 E HA -0.192 4.157 4.350 -0.002 0.000 0.193 30 E C 2.439 179.080 176.600 0.068 0.000 0.989 30 E CA 1.438 57.901 56.400 0.104 0.000 0.800 30 E CB 0.092 29.840 29.700 0.081 0.000 0.746 30 E HN 0.642 nan 8.360 nan 0.000 0.452 31 R N 1.023 121.553 120.500 0.050 0.000 2.092 31 R HA -0.175 4.164 4.340 -0.002 0.000 0.226 31 R C 2.542 178.856 176.300 0.022 0.000 1.140 31 R CA 1.366 57.483 56.100 0.029 0.000 0.910 31 R CB -0.482 29.837 30.300 0.031 0.000 0.822 31 R HN -0.004 nan 8.270 nan 0.000 0.433 32 L N 1.350 122.601 121.223 0.047 0.000 2.010 32 L HA -0.263 4.076 4.340 -0.002 0.000 0.219 32 L C 2.784 179.647 176.870 -0.011 0.000 1.077 32 L CA 2.398 57.265 54.840 0.044 0.000 0.773 32 L CB -1.034 41.065 42.059 0.068 0.000 0.892 32 L HN 0.501 nan 8.230 nan 0.000 0.436 33 A N -0.581 122.230 122.820 -0.015 0.000 1.892 33 A HA -0.247 4.072 4.320 -0.002 0.000 0.218 33 A C 2.464 179.901 177.584 -0.245 0.000 1.188 33 A CA 2.041 54.020 52.037 -0.097 0.000 0.631 33 A CB -0.572 18.448 19.000 0.033 0.000 0.822 33 A HN 0.432 nan 8.150 nan 0.000 0.447 34 R N -1.011 119.375 120.500 -0.191 0.000 2.235 34 R HA -0.024 4.315 4.340 -0.002 0.000 0.213 34 R C 2.079 178.294 176.300 -0.141 0.000 1.059 34 R CA 1.041 56.998 56.100 -0.237 0.000 0.997 34 R CB -0.067 30.151 30.300 -0.136 0.000 0.884 34 R HN 0.806 nan 8.270 nan 0.000 0.462 35 E N 0.505 120.661 120.200 -0.074 0.000 2.030 35 E HA -0.129 4.220 4.350 -0.002 0.000 0.189 35 E C 1.755 178.350 176.600 -0.008 0.000 0.974 35 E CA 0.376 56.771 56.400 -0.008 0.000 0.807 35 E CB 0.270 30.006 29.700 0.060 0.000 0.771 35 E HN 0.108 nan 8.360 nan 0.000 0.451 36 Q N 0.242 120.025 119.800 -0.028 0.000 2.103 36 Q HA -0.235 4.104 4.340 -0.002 0.000 0.213 36 Q C 2.299 178.292 176.000 -0.012 0.000 1.008 36 Q CA 1.479 57.269 55.803 -0.021 0.000 0.879 36 Q CB -0.321 28.366 28.738 -0.085 0.000 0.946 36 Q HN 0.289 nan 8.270 nan 0.000 0.413 37 L N -0.312 120.874 121.223 -0.063 0.000 2.291 37 L HA -0.048 4.291 4.340 -0.002 0.000 0.214 37 L C 2.227 179.090 176.870 -0.011 0.000 1.120 37 L CA 1.269 56.082 54.840 -0.046 0.000 0.799 37 L CB -0.645 41.328 42.059 -0.144 0.000 0.925 37 L HN 0.106 nan 8.230 nan 0.000 0.446 38 A N -0.948 121.854 122.820 -0.029 0.000 1.898 38 A HA -0.097 4.222 4.320 -0.002 0.000 0.214 38 A C 2.232 179.848 177.584 0.053 0.000 1.183 38 A CA 1.106 53.136 52.037 -0.012 0.000 0.622 38 A CB -0.581 18.395 19.000 -0.040 0.000 0.824 38 A HN 0.275 nan 8.150 nan 0.000 0.444 39 L N -0.245 121.011 121.223 0.055 0.000 2.017 39 L HA -0.150 4.189 4.340 -0.002 0.000 0.208 39 L C 2.403 179.316 176.870 0.072 0.000 1.073 39 L CA 2.167 57.057 54.840 0.084 0.000 0.745 39 L CB -0.394 41.720 42.059 0.092 0.000 0.894 39 L HN 0.483 nan 8.230 nan 0.000 0.432 40 E N -1.775 118.443 120.200 0.030 0.000 2.077 40 E HA -0.298 4.051 4.350 -0.002 0.000 0.193 40 E C 2.067 178.727 176.600 0.100 0.000 0.989 40 E CA 1.340 57.751 56.400 0.018 0.000 0.800 40 E CB -0.108 29.578 29.700 -0.022 0.000 0.746 40 E HN 0.574 nan 8.360 nan 0.000 0.452 41 H N 0.430 119.481 119.070 -0.031 0.000 2.319 41 H HA -0.181 4.374 4.556 -0.002 0.000 0.299 41 H C 2.139 177.437 175.328 -0.051 0.000 1.092 41 H CA 2.139 58.143 56.048 -0.073 0.000 1.302 41 H CB 0.121 29.844 29.762 -0.064 0.000 1.373 41 H HN 0.165 nan 8.280 nan 0.000 0.497 42 E N -0.038 120.278 120.200 0.193 0.000 2.033 42 E HA -0.227 4.121 4.350 -0.002 0.000 0.199 42 E C 2.328 178.970 176.600 0.069 0.000 1.011 42 E CA 1.789 58.255 56.400 0.110 0.000 0.815 42 E CB -0.234 29.517 29.700 0.084 0.000 0.755 42 E HN 0.432 nan 8.360 nan 0.000 0.451 43 S N -0.302 115.472 115.700 0.124 0.000 2.393 43 S HA -0.245 4.224 4.470 -0.002 0.000 0.234 43 S C 1.762 176.376 174.600 0.024 0.000 1.064 43 S CA 1.838 60.103 58.200 0.108 0.000 1.088 43 S CB -0.652 62.655 63.200 0.178 0.000 0.939 43 S HN 0.398 nan 8.310 nan 0.000 0.448 44 Y N 1.770 121.947 120.300 -0.205 0.000 2.293 44 Y HA -0.020 4.529 4.550 -0.002 0.000 0.291 44 Y C 2.418 177.949 175.900 -0.614 0.000 1.137 44 Y CA 0.426 58.310 58.100 -0.360 0.000 1.202 44 Y CB -0.584 37.620 38.460 -0.426 0.000 0.990 44 Y HN 0.366 nan 8.280 nan 0.000 0.537 45 E N -0.219 119.730 120.200 -0.419 0.000 2.031 45 E HA -0.221 4.128 4.350 -0.002 0.000 0.193 45 E C 2.089 178.609 176.600 -0.135 0.000 0.994 45 E CA 1.629 57.816 56.400 -0.354 0.000 0.800 45 E CB -0.348 29.268 29.700 -0.140 0.000 0.752 45 E HN 0.479 nan 8.360 nan 0.000 0.447 46 M N 0.319 119.880 119.600 -0.065 0.000 2.279 46 M HA -0.067 4.412 4.480 -0.002 0.000 0.264 46 M C 2.338 178.628 176.300 -0.016 0.000 1.062 46 M CA 1.299 56.593 55.300 -0.010 0.000 1.099 46 M CB -0.280 32.337 32.600 0.028 0.000 1.394 46 M HN 0.166 nan 8.290 nan 0.000 0.426 47 G N -0.187 108.571 108.800 -0.069 0.000 2.403 47 G HA2 -0.156 3.802 3.960 -0.002 0.000 0.216 47 G HA3 -0.156 3.802 3.960 -0.002 0.000 0.216 47 G C 1.436 176.354 174.900 0.031 0.000 1.154 47 G CA 0.320 45.376 45.100 -0.073 0.000 0.784 47 G HN 0.432 nan 8.290 nan 0.000 0.538 48 E N 0.529 120.754 120.200 0.042 0.000 2.031 48 E HA -0.114 4.235 4.350 -0.002 0.000 0.193 48 E C 2.924 179.622 176.600 0.164 0.000 0.994 48 E CA 0.954 57.449 56.400 0.158 0.000 0.800 48 E CB -0.190 29.639 29.700 0.215 0.000 0.752 48 E HN 0.292 nan 8.360 nan 0.000 0.447 49 A N 1.630 124.509 122.820 0.099 0.000 1.892 49 A HA -0.295 4.024 4.320 -0.002 0.000 0.218 49 A C 2.133 179.783 177.584 0.110 0.000 1.188 49 A CA 2.245 54.342 52.037 0.099 0.000 0.631 49 A CB -0.722 18.313 19.000 0.059 0.000 0.822 49 A HN 0.234 nan 8.150 nan 0.000 0.447 50 R N -1.129 119.422 120.500 0.085 0.000 2.112 50 R HA -0.212 4.127 4.340 -0.002 0.000 0.242 50 R C 1.878 178.231 176.300 0.088 0.000 1.137 50 R CA 2.428 58.563 56.100 0.059 0.000 0.944 50 R CB -0.883 29.432 30.300 0.025 0.000 0.857 50 R HN 0.515 nan 8.270 nan 0.000 0.435 51 F N 0.909 120.875 119.950 0.027 0.000 2.186 51 F HA -0.087 4.439 4.527 -0.002 0.000 0.299 51 F C 2.084 177.949 175.800 0.109 0.000 1.090 51 F CA 1.043 59.073 58.000 0.051 0.000 1.307 51 F CB -0.048 38.972 39.000 0.033 0.000 1.019 51 F HN -0.030 nan 8.300 nan 0.000 0.489 52 R N 0.896 121.631 120.500 0.391 0.000 2.148 52 R HA -0.261 4.078 4.340 -0.002 0.000 0.230 52 R C 2.239 178.637 176.300 0.162 0.000 1.120 52 R CA 2.028 58.321 56.100 0.321 0.000 0.902 52 R CB -1.288 29.139 30.300 0.212 0.000 0.839 52 R HN 0.257 nan 8.270 nan 0.000 0.431 53 K N 0.216 120.664 120.400 0.081 0.000 2.077 53 K HA -0.188 4.131 4.320 -0.002 0.000 0.213 53 K C 2.245 178.828 176.600 -0.029 0.000 1.051 53 K CA 1.864 58.162 56.287 0.018 0.000 0.929 53 K CB -0.145 32.360 32.500 0.008 0.000 0.715 53 K HN 0.105 nan 8.250 nan 0.000 0.451 54 M N -0.253 119.299 119.600 -0.080 0.000 2.099 54 M HA -0.159 4.320 4.480 -0.002 0.000 0.262 54 M C 1.992 178.215 176.300 -0.128 0.000 1.067 54 M CA 1.489 56.697 55.300 -0.153 0.000 1.124 54 M CB -0.370 32.066 32.600 -0.272 0.000 1.353 54 M HN 0.212 nan 8.290 nan 0.000 0.410 55 F N 1.992 121.724 119.950 -0.364 0.000 2.202 55 F HA -0.220 4.306 4.527 -0.001 0.000 0.301 55 F C 2.376 178.147 175.800 -0.049 0.000 1.082 55 F CA 1.831 59.714 58.000 -0.196 0.000 1.313 55 F CB -0.811 38.239 39.000 0.083 0.000 1.024 55 F HN 0.353 nan 8.300 nan 0.000 0.495 56 E N 0.972 121.098 120.200 -0.123 0.000 2.048 56 E HA -0.312 4.037 4.350 -0.002 0.000 0.202 56 E C 2.346 178.829 176.600 -0.195 0.000 1.021 56 E CA 2.098 58.384 56.400 -0.190 0.000 0.825 56 E CB -0.436 29.222 29.700 -0.070 0.000 0.756 56 E HN 0.453 nan 8.360 nan 0.000 0.454 57 R N 0.097 120.524 120.500 -0.121 0.000 2.103 57 R HA -0.178 4.161 4.340 -0.002 0.000 0.242 57 R C 2.779 179.017 176.300 -0.104 0.000 1.142 57 R CA 1.958 58.000 56.100 -0.096 0.000 0.960 57 R CB -0.355 29.903 30.300 -0.069 0.000 0.858 57 R HN 0.374 nan 8.270 nan 0.000 0.439 58 Q N 0.786 120.526 119.800 -0.100 0.000 1.998 58 Q HA -0.216 4.123 4.340 -0.002 0.000 0.209 58 Q C 2.296 178.241 176.000 -0.091 0.000 1.002 58 Q CA 1.789 57.563 55.803 -0.049 0.000 0.858 58 Q CB -0.481 28.311 28.738 0.091 0.000 0.932 58 Q HN 0.386 nan 8.270 nan 0.000 0.416 59 L N 1.072 122.161 121.223 -0.224 0.000 2.291 59 L HA -0.067 4.272 4.340 -0.002 0.000 0.214 59 L C 2.489 179.280 176.870 -0.131 0.000 1.120 59 L CA 0.853 55.581 54.840 -0.187 0.000 0.799 59 L CB -0.631 41.227 42.059 -0.335 0.000 0.925 59 L HN 0.125 nan 8.230 nan 0.000 0.446 60 K N 1.773 122.093 120.400 -0.135 0.000 2.147 60 K HA -0.121 4.198 4.320 -0.002 0.000 0.205 60 K C 1.369 177.925 176.600 -0.074 0.000 1.049 60 K CA 1.708 57.938 56.287 -0.096 0.000 0.936 60 K CB 0.049 32.496 32.500 -0.090 0.000 0.722 60 K HN 0.348 nan 8.250 nan 0.000 0.446 61 A N -0.450 122.329 122.820 -0.070 0.000 2.594 61 A HA 0.415 4.734 4.320 -0.002 0.000 0.287 61 A C 0.969 178.520 177.584 -0.055 0.000 1.227 61 A CA 0.541 52.539 52.037 -0.065 0.000 0.952 61 A CB 0.130 19.091 19.000 -0.066 0.000 1.161 61 A HN 0.445 nan 8.150 nan 0.000 0.524 62 G N 0.416 109.191 108.800 -0.041 0.000 2.220 62 G HA2 -0.337 3.622 3.960 -0.002 0.000 0.269 62 G HA3 -0.337 3.622 3.960 -0.002 0.000 0.269 62 G C 0.373 175.280 174.900 0.012 0.000 0.977 62 G CA 0.622 45.712 45.100 -0.016 0.000 0.634 62 G HN 0.698 nan 8.290 nan 0.000 0.539 63 E N 0.822 121.025 120.200 0.005 0.000 2.352 63 E HA 0.275 4.624 4.350 -0.002 0.000 0.197 63 E C 1.958 178.606 176.600 0.081 0.000 1.224 63 E CA 0.164 56.585 56.400 0.036 0.000 1.118 63 E CB 0.105 29.812 29.700 0.013 0.000 1.198 63 E HN 0.424 nan 8.360 nan 0.000 0.454 64 V N 1.728 121.696 119.914 0.090 0.000 2.214 64 V HA -0.319 3.800 4.120 -0.002 0.000 0.245 64 V C 2.374 178.568 176.094 0.167 0.000 1.047 64 V CA 2.216 64.609 62.300 0.155 0.000 0.998 64 V CB -0.749 31.146 31.823 0.120 0.000 0.633 64 V HN 0.501 nan 8.190 nan 0.000 0.446 65 A N -0.597 122.298 122.820 0.125 0.000 2.285 65 A HA -0.212 4.107 4.320 -0.002 0.000 0.214 65 A C 1.451 179.145 177.584 0.182 0.000 1.188 65 A CA 1.650 53.763 52.037 0.126 0.000 0.707 65 A CB -0.591 18.458 19.000 0.081 0.000 0.771 65 A HN 0.692 nan 8.150 nan 0.000 0.488 66 D N -0.295 120.205 120.400 0.166 0.000 2.463 66 D HA 0.046 4.685 4.640 -0.002 0.000 0.224 66 D C -0.272 176.111 176.300 0.138 0.000 1.174 66 D CA -0.066 54.036 54.000 0.170 0.000 0.829 66 D CB 0.070 40.951 40.800 0.134 0.000 0.993 66 D HN 0.357 nan 8.370 nan 0.000 0.497 67 N N 0.513 119.294 118.700 0.135 0.000 2.314 67 N HA 0.221 4.960 4.740 -0.002 0.000 0.304 67 N C 0.898 176.442 175.510 0.056 0.000 1.073 67 N CA -0.367 52.748 53.050 0.109 0.000 0.822 67 N CB 2.121 40.707 38.487 0.165 0.000 1.280 67 N HN -0.143 nan 8.380 nan 0.000 0.489 68 A N 3.007 125.855 122.820 0.047 0.000 2.093 68 A HA -0.186 4.133 4.320 -0.002 0.000 0.222 68 A C 1.903 179.456 177.584 -0.051 0.000 1.162 68 A CA 2.312 54.349 52.037 -0.001 0.000 0.655 68 A CB -0.619 18.400 19.000 0.031 0.000 0.805 68 A HN 0.764 nan 8.150 nan 0.000 0.461 69 A N -0.958 121.826 122.820 -0.059 0.000 2.014 69 A HA 0.328 4.647 4.320 -0.002 0.000 0.218 69 A C 2.313 179.853 177.584 -0.074 0.000 1.163 69 A CA 1.677 53.645 52.037 -0.115 0.000 0.652 69 A CB -0.545 18.318 19.000 -0.228 0.000 0.808 69 A HN 1.024 nan 8.150 nan 0.000 0.449 70 A N -0.652 122.147 122.820 -0.035 0.000 1.997 70 A HA 0.124 4.443 4.320 -0.002 0.000 0.212 70 A C 1.953 179.482 177.584 -0.090 0.000 1.178 70 A CA 0.929 52.949 52.037 -0.028 0.000 0.698 70 A CB -0.211 18.811 19.000 0.037 0.000 0.842 70 A HN 0.390 nan 8.150 nan 0.000 0.458 71 K N 0.041 120.358 120.400 -0.138 0.000 2.113 71 K HA -0.137 4.182 4.320 -0.002 0.000 0.208 71 K C -0.786 175.611 176.600 -0.337 0.000 1.047 71 K CA 1.748 57.825 56.287 -0.349 0.000 0.928 71 K CB -0.816 31.434 32.500 -0.417 0.000 0.716 71 K HN 0.466 nan 8.250 nan 0.000 0.446 72 P HA -0.139 nan 4.420 nan 0.000 0.221 72 P C 1.393 178.597 177.300 -0.160 0.000 1.150 72 P CA 1.219 64.215 63.100 -0.173 0.000 0.800 72 P CB 0.047 31.672 31.700 -0.125 0.000 0.787 73 L N -0.733 120.388 121.223 -0.170 0.000 2.084 73 L HA -0.018 4.321 4.340 -0.002 0.000 0.202 73 L C 2.836 179.603 176.870 -0.171 0.000 1.074 73 L CA 1.020 55.730 54.840 -0.218 0.000 0.757 73 L CB -0.883 41.003 42.059 -0.288 0.000 0.918 73 L HN -0.182 nan 8.230 nan 0.000 0.444 74 I N 0.065 120.571 120.570 -0.107 0.000 2.315 74 I HA -0.298 3.871 4.170 -0.002 0.000 0.251 74 I C 2.355 178.553 176.117 0.134 0.000 1.125 74 I CA 1.456 62.771 61.300 0.024 0.000 1.392 74 I CB -0.537 37.568 38.000 0.176 0.000 1.065 74 I HN 0.312 nan 8.210 nan 0.000 0.424 75 T N -0.426 114.151 114.554 0.040 0.000 2.951 75 T HA -0.106 4.243 4.350 -0.002 0.000 0.268 75 T C 1.907 176.640 174.700 0.055 0.000 1.073 75 T CA 1.849 64.008 62.100 0.099 0.000 1.134 75 T CB -0.250 68.597 68.868 -0.036 0.000 0.884 75 T HN 0.577 nan 8.240 nan 0.000 0.479 76 T N -0.246 114.303 114.554 -0.008 0.000 3.031 76 T HA 0.188 4.537 4.350 -0.002 0.000 0.254 76 T C 1.836 176.529 174.700 -0.010 0.000 1.060 76 T CA 0.042 62.135 62.100 -0.012 0.000 1.135 76 T CB -0.386 68.458 68.868 -0.040 0.000 0.896 76 T HN 0.072 nan 8.240 nan 0.000 0.472 77 L N 0.425 121.623 121.223 -0.041 0.000 2.156 77 L HA 0.327 4.666 4.340 -0.002 0.000 0.208 77 L C 2.217 179.091 176.870 0.007 0.000 1.095 77 L CA 0.888 55.706 54.840 -0.038 0.000 0.770 77 L CB -0.935 41.062 42.059 -0.104 0.000 0.914 77 L HN 0.215 nan 8.230 nan 0.000 0.439 78 L N 0.944 122.189 121.223 0.037 0.000 2.017 78 L HA -0.096 4.243 4.340 -0.002 0.000 0.208 78 L C -0.541 176.359 176.870 0.051 0.000 1.073 78 L CA 2.127 57.002 54.840 0.059 0.000 0.745 78 L CB -1.671 40.465 42.059 0.128 0.000 0.894 78 L HN 0.206 nan 8.230 nan 0.000 0.432 79 P HA -0.224 nan 4.420 nan 0.000 0.219 79 P C 1.428 178.750 177.300 0.037 0.000 1.146 79 P CA 1.577 64.702 63.100 0.042 0.000 0.808 79 P CB -0.003 31.721 31.700 0.041 0.000 0.779 80 K N -0.978 119.443 120.400 0.035 0.000 2.001 80 K HA -0.105 4.214 4.320 -0.002 0.000 0.208 80 K C 2.272 178.893 176.600 0.035 0.000 1.048 80 K CA 1.443 57.752 56.287 0.037 0.000 0.932 80 K CB -0.405 32.118 32.500 0.037 0.000 0.715 80 K HN -0.021 nan 8.250 nan 0.000 0.437 81 M N 1.337 120.954 119.600 0.028 0.000 2.099 81 M HA -0.097 4.382 4.480 -0.002 0.000 0.262 81 M C 1.650 177.965 176.300 0.025 0.000 1.067 81 M CA 1.492 56.805 55.300 0.022 0.000 1.124 81 M CB -0.235 32.373 32.600 0.013 0.000 1.353 81 M HN 0.124 nan 8.290 nan 0.000 0.410 82 I N 0.233 120.818 120.570 0.024 0.000 2.091 82 I HA -0.330 3.839 4.170 -0.002 0.000 0.239 82 I C 2.469 178.597 176.117 0.020 0.000 1.061 82 I CA 1.519 62.827 61.300 0.013 0.000 1.317 82 I CB -1.126 36.883 38.000 0.014 0.000 1.031 82 I HN 0.436 nan 8.210 nan 0.000 0.401 83 A N 0.468 123.308 122.820 0.034 0.000 1.917 83 A HA -0.245 4.074 4.320 -0.002 0.000 0.219 83 A C 2.379 180.010 177.584 0.078 0.000 1.182 83 A CA 1.553 53.619 52.037 0.048 0.000 0.633 83 A CB -0.581 18.448 19.000 0.048 0.000 0.819 83 A HN 0.256 nan 8.150 nan 0.000 0.448 84 R N -0.085 120.462 120.500 0.078 0.000 2.193 84 R HA -0.009 4.330 4.340 -0.002 0.000 0.229 84 R C 1.668 178.073 176.300 0.175 0.000 1.110 84 R CA 1.153 57.321 56.100 0.113 0.000 0.988 84 R CB -0.650 29.688 30.300 0.064 0.000 0.871 84 R HN 0.706 nan 8.270 nan 0.000 0.458 85 I N -0.581 120.065 120.570 0.127 0.000 2.480 85 I HA -0.158 4.011 4.170 -0.002 0.000 0.251 85 I C 1.675 177.888 176.117 0.161 0.000 1.124 85 I CA 0.906 62.299 61.300 0.155 0.000 1.444 85 I CB -0.275 37.712 38.000 -0.021 0.000 1.098 85 I HN 0.162 nan 8.210 nan 0.000 0.428 86 N N 0.607 119.355 118.700 0.080 0.000 2.270 86 N HA -0.156 4.583 4.740 -0.002 0.000 0.181 86 N C 1.332 176.964 175.510 0.203 0.000 1.016 86 N CA 0.804 53.903 53.050 0.082 0.000 0.870 86 N CB 0.131 38.640 38.487 0.037 0.000 0.979 86 N HN 0.306 nan 8.380 nan 0.000 0.431 87 D N 0.163 120.696 120.400 0.221 0.000 2.123 87 D HA -0.154 4.485 4.640 -0.002 0.000 0.200 87 D C 1.545 178.017 176.300 0.286 0.000 0.976 87 D CA 0.563 54.693 54.000 0.217 0.000 0.831 87 D CB -0.159 40.755 40.800 0.191 0.000 0.974 87 D HN 0.417 nan 8.370 nan 0.000 0.469 88 W N 0.666 122.087 121.300 0.202 0.000 2.374 88 W HA -0.202 4.456 4.660 -0.002 0.000 0.288 88 W C 1.485 178.168 176.519 0.274 0.000 1.218 88 W CA 0.598 58.073 57.345 0.215 0.000 1.245 88 W CB -0.258 29.350 29.460 0.247 0.000 1.126 88 W HN -0.099 nan 8.180 nan 0.000 0.545 89 F N 1.307 121.407 119.950 0.249 0.000 2.325 89 F HA -0.117 4.409 4.527 -0.002 0.000 0.299 89 F C 2.399 178.265 175.800 0.109 0.000 1.090 89 F CA 1.267 59.438 58.000 0.285 0.000 1.392 89 F CB -0.662 38.524 39.000 0.310 0.000 1.053 89 F HN -0.149 nan 8.300 nan 0.000 0.521 90 E N -0.011 120.308 120.200 0.197 0.000 2.170 90 E HA -0.118 4.231 4.350 -0.002 0.000 0.191 90 E C 1.869 178.423 176.600 -0.076 0.000 0.981 90 E CA 0.709 57.149 56.400 0.066 0.000 0.830 90 E CB -0.234 29.513 29.700 0.078 0.000 0.775 90 E HN 0.536 nan 8.360 nan 0.000 0.470 91 E N 0.504 120.604 120.200 -0.167 0.000 2.208 91 E HA -0.074 4.275 4.350 -0.002 0.000 0.193 91 E C 2.025 178.359 176.600 -0.443 0.000 0.988 91 E CA 0.561 56.778 56.400 -0.305 0.000 0.828 91 E CB 0.260 29.702 29.700 -0.430 0.000 0.763 91 E HN 0.003 nan 8.360 nan 0.000 0.478 92 V N 1.164 120.747 119.914 -0.553 0.000 2.725 92 V HA -0.134 3.985 4.120 -0.002 0.000 0.247 92 V C 1.899 177.649 176.094 -0.574 0.000 1.058 92 V CA 1.286 63.141 62.300 -0.742 0.000 1.080 92 V CB -0.169 30.891 31.823 -1.271 0.000 0.713 92 V HN 0.131 nan 8.190 nan 0.000 0.465 93 K N 1.189 121.386 120.400 -0.337 0.000 2.062 93 K HA 0.062 4.381 4.320 -0.002 0.000 0.205 93 K C 1.620 178.139 176.600 -0.134 0.000 1.051 93 K CA 1.353 57.545 56.287 -0.158 0.000 0.941 93 K CB -0.260 32.235 32.500 -0.009 0.000 0.719 93 K HN 0.392 nan 8.250 nan 0.000 0.440 94 A N 1.921 124.662 122.820 -0.132 0.000 2.840 94 A HA 0.095 4.414 4.320 -0.002 0.000 0.269 94 A C -0.249 177.254 177.584 -0.135 0.000 1.439 94 A CA 0.172 52.145 52.037 -0.106 0.000 1.083 94 A CB -0.370 18.582 19.000 -0.080 0.000 1.019 94 A HN 0.104 nan 8.150 nan 0.000 0.607 95 K N 0.015 120.314 120.400 -0.169 0.000 2.587 95 K HA 0.315 4.634 4.320 -0.002 0.000 0.256 95 K C -0.121 176.372 176.600 -0.179 0.000 0.974 95 K CA -0.580 55.602 56.287 -0.175 0.000 0.855 95 K CB 1.428 33.796 32.500 -0.220 0.000 1.292 95 K HN 0.493 nan 8.250 nan 0.000 0.444 96 R N 0.751 121.171 120.500 -0.133 0.000 2.896 96 R HA 0.450 4.789 4.340 -0.002 0.000 0.258 96 R C -0.083 176.141 176.300 -0.126 0.000 1.240 96 R CA 0.655 56.685 56.100 -0.115 0.000 1.109 96 R CB 0.109 30.359 30.300 -0.084 0.000 1.081 96 R HN 0.877 nan 8.270 nan 0.000 0.562 97 G N 0.956 109.695 108.800 -0.100 0.000 2.825 97 G HA2 -0.294 3.665 3.960 -0.002 0.000 0.686 97 G HA3 -0.294 3.665 3.960 -0.002 0.000 0.686 97 G C -0.652 174.180 174.900 -0.114 0.000 1.362 97 G CA -0.236 44.806 45.100 -0.096 0.000 0.975 97 G HN 0.584 nan 8.290 nan 0.000 0.594 98 K N 1.161 121.505 120.400 -0.092 0.000 2.438 98 K HA -0.017 4.302 4.320 -0.002 0.000 0.270 98 K C 1.029 177.557 176.600 -0.121 0.000 1.095 98 K CA 0.352 56.584 56.287 -0.092 0.000 1.174 98 K CB 0.191 32.649 32.500 -0.070 0.000 0.830 98 K HN 0.522 nan 8.250 nan 0.000 0.487 99 R N 4.575 124.990 120.500 -0.142 0.000 2.738 99 R HA 0.141 4.480 4.340 -0.002 0.000 0.268 99 R C -1.996 174.252 176.300 -0.087 0.000 1.062 99 R CA -1.395 54.580 56.100 -0.208 0.000 1.158 99 R CB -0.179 29.973 30.300 -0.247 0.000 1.046 99 R HN 0.572 nan 8.270 nan 0.000 0.493 100 P HA -0.041 nan 4.420 nan 0.000 0.267 100 P C -0.089 177.254 177.300 0.071 0.000 1.200 100 P CA 0.074 63.197 63.100 0.038 0.000 0.772 100 P CB 0.561 32.332 31.700 0.118 0.000 0.855 101 T N 0.774 115.363 114.554 0.058 0.000 2.778 101 T HA -0.196 4.153 4.350 -0.002 0.000 0.269 101 T C 1.846 176.647 174.700 0.168 0.000 1.050 101 T CA 1.677 63.826 62.100 0.081 0.000 1.137 101 T CB -0.810 68.137 68.868 0.131 0.000 0.860 101 T HN 0.511 nan 8.240 nan 0.000 0.468 102 A N 1.324 124.274 122.820 0.217 0.000 1.854 102 A HA 0.141 4.460 4.320 -0.002 0.000 0.214 102 A C 2.000 179.711 177.584 0.211 0.000 1.192 102 A CA 1.140 53.340 52.037 0.272 0.000 0.611 102 A CB -1.146 18.008 19.000 0.257 0.000 0.832 102 A HN 0.424 nan 8.150 nan 0.000 0.442 103 F N 1.271 121.220 119.950 -0.003 0.000 2.115 103 F HA -0.324 4.202 4.527 -0.002 0.000 0.300 103 F C 2.564 178.259 175.800 -0.175 0.000 1.092 103 F CA 2.403 60.284 58.000 -0.197 0.000 1.245 103 F CB -0.205 38.624 39.000 -0.285 0.000 0.995 103 F HN 0.283 nan 8.300 nan 0.000 0.481 104 Q N 0.051 119.751 119.800 -0.167 0.000 2.062 104 Q HA -0.262 4.077 4.340 -0.002 0.000 0.209 104 Q C 2.291 178.014 176.000 -0.462 0.000 0.996 104 Q CA 2.562 58.114 55.803 -0.419 0.000 0.859 104 Q CB -1.337 26.988 28.738 -0.688 0.000 0.920 104 Q HN 0.554 nan 8.270 nan 0.000 0.415 105 F N 0.135 120.039 119.950 -0.076 0.000 2.270 105 F HA 0.047 4.573 4.527 -0.002 0.000 0.295 105 F C 2.247 178.114 175.800 0.112 0.000 1.087 105 F CA 0.068 58.081 58.000 0.023 0.000 1.365 105 F CB -0.290 38.685 39.000 -0.042 0.000 1.056 105 F HN -0.071 nan 8.300 nan 0.000 0.506 106 L N 0.189 121.573 121.223 0.268 0.000 2.549 106 L HA -0.187 4.152 4.340 -0.002 0.000 0.230 106 L C 1.947 179.068 176.870 0.418 0.000 1.162 106 L CA 0.946 56.005 54.840 0.365 0.000 0.834 106 L CB -0.419 41.931 42.059 0.486 0.000 0.947 106 L HN 0.256 nan 8.230 nan 0.000 0.452 107 Q N -0.608 119.284 119.800 0.154 0.000 2.319 107 Q HA -0.035 4.304 4.340 -0.002 0.000 0.202 107 Q C 1.535 177.599 176.000 0.107 0.000 0.896 107 Q CA 0.217 56.125 55.803 0.176 0.000 0.942 107 Q CB 0.465 29.072 28.738 -0.219 0.000 1.083 107 Q HN 0.473 nan 8.270 nan 0.000 0.510 108 E N -0.470 119.813 120.200 0.138 0.000 2.201 108 E HA 0.055 4.404 4.350 -0.002 0.000 0.193 108 E C -0.300 176.364 176.600 0.107 0.000 0.957 108 E CA 0.073 56.558 56.400 0.142 0.000 0.858 108 E CB 0.434 30.279 29.700 0.242 0.000 0.816 108 E HN 0.283 nan 8.360 nan 0.000 0.475 109 I N 0.911 121.547 120.570 0.109 0.000 2.474 109 I HA 0.134 4.303 4.170 -0.002 0.000 0.287 109 I C 0.202 176.319 176.117 0.001 0.000 1.048 109 I CA -0.816 60.511 61.300 0.045 0.000 1.383 109 I CB 0.446 38.471 38.000 0.043 0.000 1.412 109 I HN -0.248 nan 8.210 nan 0.000 0.531 110 K N 7.710 128.094 120.400 -0.026 0.000 2.437 110 K HA 0.054 4.373 4.320 -0.002 0.000 0.277 110 K C -1.405 175.152 176.600 -0.073 0.000 1.073 110 K CA -0.848 55.407 56.287 -0.052 0.000 1.105 110 K CB 0.602 33.070 32.500 -0.052 0.000 0.881 110 K HN 0.488 nan 8.250 nan 0.000 0.475 111 P HA -0.212 nan 4.420 nan 0.000 0.217 111 P C 0.161 177.415 177.300 -0.078 0.000 1.148 111 P CA 1.425 64.434 63.100 -0.151 0.000 0.834 111 P CB 0.311 31.866 31.700 -0.243 0.000 0.783 112 E N 0.202 120.364 120.200 -0.063 0.000 2.077 112 E HA -0.113 4.236 4.350 -0.002 0.000 0.193 112 E C 2.319 178.907 176.600 -0.021 0.000 0.989 112 E CA 1.634 58.011 56.400 -0.038 0.000 0.800 112 E CB -1.179 28.490 29.700 -0.052 0.000 0.746 112 E HN 0.225 nan 8.360 nan 0.000 0.452 113 A N 0.495 123.289 122.820 -0.043 0.000 1.841 113 A HA -0.166 4.153 4.320 -0.002 0.000 0.214 113 A C 2.464 180.049 177.584 0.002 0.000 1.195 113 A CA 1.677 53.692 52.037 -0.036 0.000 0.611 113 A CB -1.031 17.930 19.000 -0.064 0.000 0.835 113 A HN 0.111 nan 8.150 nan 0.000 0.443 114 V N 0.318 120.224 119.914 -0.012 0.000 2.233 114 V HA -0.417 3.702 4.120 -0.002 0.000 0.256 114 V C 3.000 179.103 176.094 0.015 0.000 1.069 114 V CA 2.721 65.024 62.300 0.004 0.000 1.054 114 V CB -1.811 30.021 31.823 0.014 0.000 0.664 114 V HN 0.690 nan 8.190 nan 0.000 0.453 115 A N -1.046 121.786 122.820 0.019 0.000 1.869 115 A HA -0.344 3.975 4.320 -0.002 0.000 0.218 115 A C 2.170 179.778 177.584 0.040 0.000 1.203 115 A CA 2.587 54.639 52.037 0.026 0.000 0.638 115 A CB -1.039 17.978 19.000 0.029 0.000 0.831 115 A HN 0.703 nan 8.150 nan 0.000 0.450 116 Y N 0.351 120.616 120.300 -0.058 0.000 2.352 116 Y HA -0.129 4.420 4.550 -0.002 0.000 0.292 116 Y C 1.996 177.859 175.900 -0.061 0.000 1.136 116 Y CA 1.489 59.551 58.100 -0.064 0.000 1.227 116 Y CB -0.164 38.228 38.460 -0.113 0.000 0.991 116 Y HN 0.325 nan 8.280 nan 0.000 0.545 117 I N -0.967 119.654 120.570 0.084 0.000 2.133 117 I HA -0.331 3.838 4.170 -0.002 0.000 0.238 117 I C 2.210 178.292 176.117 -0.060 0.000 1.074 117 I CA 1.660 62.946 61.300 -0.024 0.000 1.342 117 I CB -1.010 36.921 38.000 -0.114 0.000 1.053 117 I HN 0.128 nan 8.210 nan 0.000 0.404 118 T N 2.069 116.595 114.554 -0.046 0.000 2.544 118 T HA -0.211 4.138 4.350 -0.002 0.000 0.264 118 T C 1.922 176.587 174.700 -0.057 0.000 1.096 118 T CA 1.711 63.788 62.100 -0.039 0.000 1.181 118 T CB -0.433 68.422 68.868 -0.022 0.000 0.864 118 T HN 0.069 nan 8.240 nan 0.000 0.415 119 I N 1.803 122.315 120.570 -0.095 0.000 2.109 119 I HA -0.276 3.893 4.170 -0.002 0.000 0.233 119 I C 2.552 178.589 176.117 -0.134 0.000 1.005 119 I CA 1.767 62.986 61.300 -0.135 0.000 1.294 119 I CB -1.401 36.455 38.000 -0.240 0.000 1.005 119 I HN 0.273 nan 8.210 nan 0.000 0.392 120 K N 0.616 120.879 120.400 -0.228 0.000 2.044 120 K HA -0.211 4.108 4.320 -0.002 0.000 0.210 120 K C 2.034 178.645 176.600 0.018 0.000 1.049 120 K CA 2.565 58.787 56.287 -0.108 0.000 0.927 120 K CB -0.404 32.051 32.500 -0.075 0.000 0.713 120 K HN 0.447 nan 8.250 nan 0.000 0.443 121 T N 0.920 115.498 114.554 0.039 0.000 2.652 121 T HA -0.135 4.213 4.350 -0.002 0.000 0.267 121 T C 1.880 176.605 174.700 0.041 0.000 1.039 121 T CA 2.218 64.366 62.100 0.079 0.000 1.153 121 T CB -0.675 68.227 68.868 0.057 0.000 0.863 121 T HN 0.416 nan 8.240 nan 0.000 0.428 122 T N 3.094 117.656 114.554 0.013 0.000 2.536 122 T HA -0.146 4.203 4.350 -0.002 0.000 0.263 122 T C 1.992 176.704 174.700 0.020 0.000 1.115 122 T CA 1.435 63.542 62.100 0.012 0.000 1.180 122 T CB -0.941 67.929 68.868 0.003 0.000 0.864 122 T HN 0.230 nan 8.240 nan 0.000 0.419 123 L N 0.896 122.131 121.223 0.020 0.000 2.137 123 L HA -0.228 4.111 4.340 -0.002 0.000 0.213 123 L C 3.004 179.894 176.870 0.033 0.000 1.085 123 L CA 1.344 56.204 54.840 0.033 0.000 0.760 123 L CB -0.727 41.353 42.059 0.034 0.000 0.893 123 L HN 0.346 nan 8.230 nan 0.000 0.434 124 A N -1.232 121.608 122.820 0.033 0.000 1.969 124 A HA -0.189 4.130 4.320 -0.002 0.000 0.218 124 A C 2.355 179.947 177.584 0.013 0.000 1.169 124 A CA 1.710 53.763 52.037 0.027 0.000 0.635 124 A CB -0.883 18.142 19.000 0.041 0.000 0.810 124 A HN 0.537 nan 8.150 nan 0.000 0.445 125 C N -1.000 118.311 119.300 0.018 0.000 2.543 125 C HA 0.054 4.512 4.460 -0.002 0.000 0.281 125 C C 2.553 177.550 174.990 0.012 0.000 1.276 125 C CA 0.803 59.828 59.018 0.011 0.000 1.700 125 C CB -1.508 26.239 27.740 0.012 0.000 2.093 125 C HN 0.625 nan 8.230 nan 0.000 0.488 126 L N 1.107 122.342 121.223 0.020 0.000 2.129 126 L HA -0.141 4.198 4.340 -0.002 0.000 0.212 126 L C 2.114 178.997 176.870 0.023 0.000 1.087 126 L CA 1.964 56.819 54.840 0.027 0.000 0.757 126 L CB -0.903 41.178 42.059 0.038 0.000 0.896 126 L HN 0.571 nan 8.230 nan 0.000 0.434 127 T N -3.737 110.827 114.554 0.017 0.000 3.327 127 T HA 0.141 4.490 4.350 -0.002 0.000 0.241 127 T C 0.323 175.015 174.700 -0.012 0.000 0.907 127 T CA -0.323 61.779 62.100 0.004 0.000 0.931 127 T CB -0.041 68.826 68.868 -0.002 0.000 1.112 127 T HN 0.124 nan 8.240 nan 0.000 0.589 128 S N 0.028 115.725 115.700 -0.006 0.000 2.475 128 S HA 0.672 5.141 4.470 -0.002 0.000 0.298 128 S C 1.698 176.294 174.600 -0.008 0.000 1.119 128 S CA -0.227 57.966 58.200 -0.012 0.000 1.085 128 S CB 1.108 64.303 63.200 -0.009 0.000 1.028 128 S HN 0.535 nan 8.310 nan 0.000 0.489 129 A N 4.165 126.977 122.820 -0.013 0.000 1.906 129 A HA -0.197 4.122 4.320 -0.002 0.000 0.222 129 A C 1.434 179.017 177.584 -0.002 0.000 1.282 129 A CA 2.679 54.710 52.037 -0.010 0.000 0.675 129 A CB -0.781 18.211 19.000 -0.013 0.000 0.838 129 A HN 0.954 nan 8.150 nan 0.000 0.469 130 D N -3.344 117.057 120.400 0.000 0.000 3.118 130 D HA 0.040 4.679 4.640 -0.002 0.000 0.222 130 D C 0.110 176.416 176.300 0.011 0.000 1.470 130 D CA -0.489 53.515 54.000 0.007 0.000 1.347 130 D CB -0.586 40.217 40.800 0.005 0.000 1.221 130 D HN 0.299 nan 8.370 nan 0.000 0.326 131 N N 1.722 120.425 118.700 0.006 0.000 2.365 131 N HA -0.028 4.710 4.740 -0.002 0.000 0.265 131 N C 0.172 175.687 175.510 0.008 0.000 1.288 131 N CA 1.037 54.091 53.050 0.006 0.000 0.869 131 N CB 0.588 39.075 38.487 0.000 0.000 1.071 131 N HN 0.274 nan 8.380 nan 0.000 0.480 132 T N -2.464 112.097 114.554 0.011 0.000 3.407 132 T HA -0.003 4.346 4.350 -0.002 0.000 0.308 132 T C 0.436 175.134 174.700 -0.005 0.000 0.919 132 T CA -0.599 61.507 62.100 0.010 0.000 0.960 132 T CB -0.402 68.482 68.868 0.028 0.000 1.193 132 T HN 0.433 nan 8.240 nan 0.000 0.568 133 T N 0.136 114.688 114.554 -0.004 0.000 2.902 133 T HA 0.281 4.630 4.350 -0.002 0.000 0.301 133 T C 1.474 176.161 174.700 -0.022 0.000 1.012 133 T CA -0.139 61.952 62.100 -0.015 0.000 1.151 133 T CB 1.375 70.241 68.868 -0.004 0.000 0.946 133 T HN 0.100 nan 8.240 nan 0.000 0.542 134 V N 2.402 122.293 119.914 -0.039 0.000 2.944 134 V HA -0.157 3.962 4.120 -0.002 0.000 0.265 134 V C 2.483 178.572 176.094 -0.009 0.000 1.125 134 V CA 2.408 64.690 62.300 -0.031 0.000 1.145 134 V CB -0.823 30.973 31.823 -0.045 0.000 0.725 134 V HN 1.034 nan 8.190 nan 0.000 0.510 135 Q N 0.522 120.319 119.800 -0.005 0.000 2.187 135 Q HA 0.081 4.420 4.340 -0.002 0.000 0.199 135 Q C 2.032 178.034 176.000 0.002 0.000 0.957 135 Q CA 2.076 57.881 55.803 0.004 0.000 0.857 135 Q CB -0.469 28.273 28.738 0.005 0.000 0.929 135 Q HN 0.625 nan 8.270 nan 0.000 0.453 136 A N -0.586 122.233 122.820 -0.001 0.000 1.935 136 A HA 0.043 4.362 4.320 -0.002 0.000 0.214 136 A C 2.070 179.654 177.584 0.001 0.000 1.178 136 A CA 1.250 53.286 52.037 -0.002 0.000 0.640 136 A CB -0.256 18.742 19.000 -0.003 0.000 0.825 136 A HN 0.230 nan 8.150 nan 0.000 0.447 137 V N -0.418 119.496 119.914 0.001 0.000 2.649 137 V HA -0.043 4.076 4.120 -0.002 0.000 0.248 137 V C 2.891 178.990 176.094 0.010 0.000 1.054 137 V CA 1.320 63.623 62.300 0.005 0.000 1.073 137 V CB -0.857 30.966 31.823 0.001 0.000 0.699 137 V HN 0.545 nan 8.190 nan 0.000 0.463 138 A N -0.082 122.744 122.820 0.011 0.000 1.877 138 A HA -0.222 4.097 4.320 -0.002 0.000 0.216 138 A C 2.557 180.154 177.584 0.023 0.000 1.186 138 A CA 2.194 54.244 52.037 0.022 0.000 0.620 138 A CB -0.804 18.214 19.000 0.030 0.000 0.822 138 A HN 0.462 nan 8.150 nan 0.000 0.443 139 S N -0.392 115.316 115.700 0.012 0.000 2.382 139 S HA -0.049 4.420 4.470 -0.002 0.000 0.228 139 S C 2.161 176.769 174.600 0.012 0.000 1.027 139 S CA 1.601 59.804 58.200 0.005 0.000 0.991 139 S CB -0.506 62.691 63.200 -0.006 0.000 0.823 139 S HN 0.816 nan 8.310 nan 0.000 0.469 140 A N 1.757 124.586 122.820 0.015 0.000 1.865 140 A HA -0.022 4.297 4.320 -0.002 0.000 0.217 140 A C 2.112 179.711 177.584 0.025 0.000 1.191 140 A CA 1.668 53.721 52.037 0.027 0.000 0.623 140 A CB -0.901 18.115 19.000 0.027 0.000 0.826 140 A HN 0.634 nan 8.150 nan 0.000 0.444 141 I N -0.336 120.242 120.570 0.012 0.000 2.099 141 I HA -0.234 3.935 4.170 -0.002 0.000 0.239 141 I C 2.784 178.888 176.117 -0.022 0.000 1.066 141 I CA 1.358 62.652 61.300 -0.010 0.000 1.324 141 I CB -1.043 36.962 38.000 0.008 0.000 1.037 141 I HN 0.395 nan 8.210 nan 0.000 0.401 142 G N 0.512 109.328 108.800 0.026 0.000 2.440 142 G HA2 -0.281 3.678 3.960 -0.002 0.000 0.218 142 G HA3 -0.281 3.678 3.960 -0.002 0.000 0.218 142 G C 1.804 176.661 174.900 -0.071 0.000 1.154 142 G CA 0.790 45.934 45.100 0.072 0.000 0.767 142 G HN 0.246 nan 8.290 nan 0.000 0.552 143 R N 0.443 120.896 120.500 -0.079 0.000 2.091 143 R HA 0.044 4.383 4.340 -0.002 0.000 0.238 143 R C 2.991 179.185 176.300 -0.178 0.000 1.136 143 R CA 1.427 57.439 56.100 -0.147 0.000 0.959 143 R CB -0.409 29.878 30.300 -0.023 0.000 0.856 143 R HN 0.346 nan 8.270 nan 0.000 0.437 144 A N 0.849 123.587 122.820 -0.137 0.000 1.902 144 A HA -0.133 4.186 4.320 -0.002 0.000 0.217 144 A C 1.950 179.309 177.584 -0.375 0.000 1.181 144 A CA 1.380 53.224 52.037 -0.322 0.000 0.623 144 A CB -0.452 18.206 19.000 -0.571 0.000 0.818 144 A HN 0.206 nan 8.150 nan 0.000 0.443 145 I N -0.404 120.001 120.570 -0.275 0.000 2.353 145 I HA -0.152 4.017 4.170 -0.002 0.000 0.248 145 I C 2.317 178.257 176.117 -0.295 0.000 1.119 145 I CA 1.535 62.715 61.300 -0.200 0.000 1.417 145 I CB -1.544 36.443 38.000 -0.021 0.000 1.078 145 I HN 0.553 nan 8.210 nan 0.000 0.421 146 E N 1.799 121.650 120.200 -0.581 0.000 2.077 146 E HA -0.246 4.103 4.350 -0.002 0.000 0.193 146 E C 1.634 177.745 176.600 -0.816 0.000 0.989 146 E CA 1.603 57.373 56.400 -1.051 0.000 0.800 146 E CB 0.104 28.721 29.700 -1.805 0.000 0.746 146 E HN 0.425 nan 8.360 nan 0.000 0.452 147 D N 0.351 120.423 120.400 -0.547 0.000 2.149 147 D HA -0.188 4.451 4.640 -0.002 0.000 0.198 147 D C 1.899 178.030 176.300 -0.282 0.000 0.990 147 D CA 1.128 54.921 54.000 -0.345 0.000 0.839 147 D CB -0.168 40.640 40.800 0.014 0.000 0.948 147 D HN 0.208 nan 8.370 nan 0.000 0.460 148 E N 1.017 121.064 120.200 -0.254 0.000 2.152 148 E HA -0.027 4.322 4.350 -0.002 0.000 0.192 148 E C 1.819 178.280 176.600 -0.230 0.000 0.983 148 E CA 1.032 57.326 56.400 -0.177 0.000 0.818 148 E CB -0.180 29.428 29.700 -0.154 0.000 0.758 148 E HN 0.163 nan 8.360 nan 0.000 0.467 149 A N 0.497 123.111 122.820 -0.344 0.000 1.930 149 A HA -0.041 4.278 4.320 -0.002 0.000 0.215 149 A C 2.253 179.463 177.584 -0.623 0.000 1.176 149 A CA 1.283 53.123 52.037 -0.328 0.000 0.632 149 A CB -0.369 18.520 19.000 -0.185 0.000 0.819 149 A HN 0.192 nan 8.150 nan 0.000 0.445 150 R N -1.435 118.382 120.500 -1.139 0.000 2.051 150 R HA -0.017 4.322 4.340 -0.002 0.000 0.225 150 R C 1.521 177.352 176.300 -0.781 0.000 1.155 150 R CA 1.580 56.810 56.100 -1.450 0.000 0.945 150 R CB -0.354 28.674 30.300 -2.120 0.000 0.840 150 R HN 0.420 nan 8.270 nan 0.000 0.432 151 F N 0.057 119.792 119.950 -0.358 0.000 2.661 151 F HA 0.203 4.729 4.527 -0.002 0.000 0.298 151 F C 2.132 177.842 175.800 -0.149 0.000 1.137 151 F CA 0.795 58.672 58.000 -0.205 0.000 1.454 151 F CB -0.518 38.374 39.000 -0.179 0.000 1.103 151 F HN 0.239 nan 8.300 nan 0.000 0.577 152 G N -0.314 108.459 108.800 -0.046 0.000 2.464 152 G HA2 -0.186 3.773 3.960 -0.002 0.000 0.217 152 G HA3 -0.186 3.773 3.960 -0.002 0.000 0.217 152 G C 1.832 176.716 174.900 -0.027 0.000 1.138 152 G CA 0.116 45.193 45.100 -0.037 0.000 0.793 152 G HN 0.252 nan 8.290 nan 0.000 0.539 153 R N 0.093 120.569 120.500 -0.040 0.000 2.193 153 R HA 0.080 4.419 4.340 -0.002 0.000 0.229 153 R C 2.153 178.467 176.300 0.023 0.000 1.110 153 R CA 0.725 56.831 56.100 0.010 0.000 0.988 153 R CB -0.219 30.111 30.300 0.050 0.000 0.871 153 R HN 0.413 nan 8.270 nan 0.000 0.458 154 I N 0.057 120.643 120.570 0.026 0.000 2.480 154 I HA -0.168 4.001 4.170 -0.002 0.000 0.251 154 I C 2.624 178.744 176.117 0.005 0.000 1.124 154 I CA 0.551 61.870 61.300 0.031 0.000 1.444 154 I CB -0.318 37.711 38.000 0.049 0.000 1.098 154 I HN 0.168 nan 8.210 nan 0.000 0.428 155 R N 1.140 121.638 120.500 -0.002 0.000 2.189 155 R HA -0.146 4.193 4.340 -0.002 0.000 0.223 155 R C 1.065 177.349 176.300 -0.027 0.000 1.092 155 R CA 1.419 57.507 56.100 -0.020 0.000 0.989 155 R CB -0.055 30.232 30.300 -0.022 0.000 0.876 155 R HN 0.391 nan 8.270 nan 0.000 0.457 156 D N 0.213 120.602 120.400 -0.019 0.000 2.648 156 D HA -0.074 4.565 4.640 -0.002 0.000 0.261 156 D C 1.786 178.067 176.300 -0.032 0.000 1.261 156 D CA 0.355 54.341 54.000 -0.024 0.000 1.011 156 D CB -0.498 40.296 40.800 -0.010 0.000 1.092 156 D HN 0.107 nan 8.370 nan 0.000 0.417 157 L N 1.159 122.377 121.223 -0.009 0.000 2.129 157 L HA 0.002 4.341 4.340 -0.002 0.000 0.200 157 L C 2.182 179.053 176.870 0.001 0.000 1.159 157 L CA 1.130 55.966 54.840 -0.007 0.000 0.795 157 L CB -0.607 41.462 42.059 0.017 0.000 0.951 157 L HN -0.058 nan 8.230 nan 0.000 0.463 158 E N 0.214 120.434 120.200 0.034 0.000 2.132 158 E HA -0.309 4.040 4.350 -0.002 0.000 0.218 158 E C 1.097 177.748 176.600 0.085 0.000 1.058 158 E CA 1.703 58.142 56.400 0.065 0.000 0.882 158 E CB -0.544 29.205 29.700 0.081 0.000 0.774 158 E HN 0.527 nan 8.360 nan 0.000 0.467 159 A N 1.039 123.893 122.820 0.057 0.000 3.159 159 A HA 0.118 4.437 4.320 -0.002 0.000 0.301 159 A C 1.381 178.954 177.584 -0.020 0.000 1.271 159 A CA -0.245 51.833 52.037 0.068 0.000 0.998 159 A CB -0.043 18.957 19.000 -0.000 0.000 1.101 159 A HN 0.109 nan 8.150 nan 0.000 0.610 160 K N -0.225 120.102 120.400 -0.122 0.000 2.113 160 K HA -0.226 4.093 4.320 -0.002 0.000 0.208 160 K C 1.081 177.425 176.600 -0.426 0.000 1.047 160 K CA 2.080 58.166 56.287 -0.335 0.000 0.928 160 K CB -0.090 32.089 32.500 -0.535 0.000 0.716 160 K HN 0.759 nan 8.250 nan 0.000 0.446 161 H N -2.168 116.953 119.070 0.084 0.000 2.348 161 H HA -0.001 4.554 4.556 -0.002 0.000 0.233 161 H C 1.473 176.897 175.328 0.161 0.000 0.889 161 H CA 0.148 56.249 56.048 0.089 0.000 1.034 161 H CB -0.676 29.129 29.762 0.071 0.000 1.393 161 H HN 0.140 nan 8.280 nan 0.000 0.422 162 F N 2.752 122.769 119.950 0.111 0.000 2.440 162 F HA -0.210 4.316 4.527 -0.002 0.000 0.297 162 F C 1.919 177.746 175.800 0.046 0.000 1.077 162 F CA 0.519 58.559 58.000 0.066 0.000 1.462 162 F CB 0.305 39.333 39.000 0.047 0.000 1.101 162 F HN -0.048 nan 8.300 nan 0.000 0.584 163 K N 0.989 121.423 120.400 0.058 0.000 2.504 163 K HA -0.102 4.217 4.320 -0.002 0.000 0.195 163 K C 1.605 178.186 176.600 -0.031 0.000 1.036 163 K CA 0.684 56.937 56.287 -0.056 0.000 0.984 163 K CB -0.089 32.395 32.500 -0.027 0.000 0.788 163 K HN 0.070 nan 8.250 nan 0.000 0.488 164 K N 0.006 120.429 120.400 0.037 0.000 2.155 164 K HA -0.014 4.305 4.320 -0.002 0.000 0.203 164 K C 1.367 177.981 176.600 0.024 0.000 1.052 164 K CA 1.195 57.505 56.287 0.038 0.000 0.948 164 K CB -0.420 32.124 32.500 0.074 0.000 0.728 164 K HN 0.214 nan 8.250 nan 0.000 0.448 165 N N 0.541 119.255 118.700 0.024 0.000 2.309 165 N HA -0.099 4.640 4.740 -0.002 0.000 0.182 165 N C 1.655 177.144 175.510 -0.035 0.000 1.018 165 N CA 0.719 53.778 53.050 0.014 0.000 0.876 165 N CB -0.093 38.421 38.487 0.046 0.000 0.972 165 N HN -0.079 nan 8.380 nan 0.000 0.434 166 V N 0.635 120.491 119.914 -0.096 0.000 2.365 166 V HA -0.058 4.061 4.120 -0.002 0.000 0.232 166 V C 1.814 177.895 176.094 -0.022 0.000 1.065 166 V CA 0.833 63.107 62.300 -0.044 0.000 1.054 166 V CB -0.808 30.945 31.823 -0.117 0.000 0.685 166 V HN 0.121 nan 8.190 nan 0.000 0.480 167 E N 0.270 120.443 120.200 -0.045 0.000 2.330 167 E HA -0.406 3.943 4.350 -0.002 0.000 0.239 167 E C 2.089 178.650 176.600 -0.066 0.000 1.097 167 E CA 2.609 58.978 56.400 -0.053 0.000 1.031 167 E CB -0.304 29.372 29.700 -0.041 0.000 0.885 167 E HN 0.659 nan 8.360 nan 0.000 0.479 168 E N 0.205 120.377 120.200 -0.047 0.000 2.048 168 E HA -0.276 4.073 4.350 -0.002 0.000 0.202 168 E C 2.248 178.788 176.600 -0.100 0.000 1.021 168 E CA 1.560 57.928 56.400 -0.053 0.000 0.825 168 E CB -0.192 29.495 29.700 -0.022 0.000 0.756 168 E HN 0.324 nan 8.360 nan 0.000 0.454 169 Q N 0.190 119.929 119.800 -0.102 0.000 2.291 169 Q HA -0.098 4.241 4.340 -0.002 0.000 0.205 169 Q C 2.226 177.889 176.000 -0.561 0.000 0.970 169 Q CA 0.422 56.076 55.803 -0.248 0.000 0.876 169 Q CB 0.056 28.805 28.738 0.018 0.000 0.935 169 Q HN 0.286 nan 8.270 nan 0.000 0.455 170 L N 0.190 121.218 121.223 -0.324 0.000 2.023 170 L HA -0.141 4.198 4.340 -0.002 0.000 0.205 170 L C 2.015 178.723 176.870 -0.270 0.000 1.073 170 L CA 1.175 55.821 54.840 -0.323 0.000 0.745 170 L CB -0.244 41.727 42.059 -0.147 0.000 0.900 170 L HN 0.186 nan 8.230 nan 0.000 0.435 171 N N -0.008 118.584 118.700 -0.180 0.000 2.205 171 N HA -0.193 4.546 4.740 -0.002 0.000 0.186 171 N C 1.699 177.123 175.510 -0.144 0.000 1.015 171 N CA 0.972 53.941 53.050 -0.134 0.000 0.862 171 N CB 0.021 38.453 38.487 -0.093 0.000 0.986 171 N HN 0.313 nan 8.380 nan 0.000 0.429 172 K N 0.812 121.103 120.400 -0.181 0.000 2.074 172 K HA -0.079 4.240 4.320 -0.002 0.000 0.209 172 K C 0.479 176.971 176.600 -0.180 0.000 1.048 172 K CA 0.735 56.921 56.287 -0.168 0.000 0.926 172 K CB -0.151 32.230 32.500 -0.199 0.000 0.713 172 K HN 0.133 nan 8.250 nan 0.000 0.444 173 R N 1.920 122.255 120.500 -0.274 0.000 2.291 173 R HA 0.122 4.461 4.340 -0.002 0.000 0.333 173 R C -0.420 175.818 176.300 -0.105 0.000 1.082 173 R CA -0.058 55.914 56.100 -0.213 0.000 0.948 173 R CB 0.131 30.227 30.300 -0.339 0.000 1.009 173 R HN -0.146 nan 8.270 nan 0.000 0.460 174 V N 1.368 121.268 119.914 -0.023 0.000 2.481 174 V HA 0.725 4.844 4.120 -0.002 0.000 0.286 174 V C 0.804 176.895 176.094 -0.005 0.000 1.042 174 V CA -0.615 61.674 62.300 -0.018 0.000 0.928 174 V CB 1.412 33.236 31.823 0.000 0.000 0.986 174 V HN 0.933 nan 8.190 nan 0.000 0.462 175 G N 2.126 110.871 108.800 -0.092 0.000 3.233 175 G HA2 -0.115 3.843 3.960 -0.002 0.000 0.686 175 G HA3 -0.115 3.843 3.960 -0.002 0.000 0.686 175 G C 0.184 174.962 174.900 -0.202 0.000 1.153 175 G CA 0.029 45.013 45.100 -0.194 0.000 0.853 175 G HN 1.149 nan 8.290 nan 0.000 0.582 176 H N 1.705 120.580 119.070 -0.325 0.000 2.289 176 H HA -0.166 4.389 4.556 -0.002 0.000 0.294 176 H C 2.507 177.669 175.328 -0.277 0.000 1.095 176 H CA 3.064 58.903 56.048 -0.349 0.000 1.256 176 H CB -0.242 29.249 29.762 -0.452 0.000 1.359 176 H HN 0.495 nan 8.280 nan 0.000 0.487 177 V N 1.052 120.967 119.914 0.002 0.000 2.214 177 V HA -0.339 3.780 4.120 -0.002 0.000 0.247 177 V C 2.588 178.666 176.094 -0.026 0.000 1.051 177 V CA 2.421 64.695 62.300 -0.042 0.000 1.003 177 V CB -1.348 30.324 31.823 -0.251 0.000 0.635 177 V HN 0.524 nan 8.190 nan 0.000 0.447 178 Y N 0.146 120.421 120.300 -0.041 0.000 2.256 178 Y HA -0.217 4.332 4.550 -0.002 0.000 0.288 178 Y C 2.497 178.348 175.900 -0.082 0.000 1.155 178 Y CA 1.010 59.080 58.100 -0.050 0.000 1.203 178 Y CB -0.343 38.082 38.460 -0.058 0.000 0.980 178 Y HN 0.249 nan 8.280 nan 0.000 0.530 179 K N 0.434 120.815 120.400 -0.031 0.000 2.439 179 K HA -0.123 4.196 4.320 -0.002 0.000 0.197 179 K C 1.835 178.315 176.600 -0.200 0.000 1.041 179 K CA 0.737 56.945 56.287 -0.131 0.000 0.970 179 K CB 0.046 32.428 32.500 -0.197 0.000 0.773 179 K HN 0.279 nan 8.250 nan 0.000 0.479 180 K N 0.676 120.949 120.400 -0.211 0.000 2.214 180 K HA 0.083 4.401 4.320 -0.002 0.000 0.201 180 K C 2.038 178.522 176.600 -0.194 0.000 1.049 180 K CA 0.650 56.747 56.287 -0.316 0.000 0.978 180 K CB 0.070 32.425 32.500 -0.241 0.000 0.842 180 K HN 0.003 nan 8.250 nan 0.000 0.474 181 A N 0.453 123.253 122.820 -0.034 0.000 2.024 181 A HA -0.150 4.169 4.320 -0.002 0.000 0.220 181 A C 1.849 179.428 177.584 -0.008 0.000 1.164 181 A CA 1.164 53.206 52.037 0.010 0.000 0.643 181 A CB -0.687 18.363 19.000 0.083 0.000 0.806 181 A HN 0.462 nan 8.150 nan 0.000 0.451 182 F N -1.492 118.367 119.950 -0.151 0.000 2.335 182 F HA 0.048 4.574 4.527 -0.002 0.000 0.296 182 F C 2.197 177.873 175.800 -0.207 0.000 1.091 182 F CA 1.231 59.139 58.000 -0.154 0.000 1.399 182 F CB 0.067 38.981 39.000 -0.144 0.000 1.067 182 F HN 0.117 nan 8.300 nan 0.000 0.520 183 M N -0.325 119.154 119.600 -0.201 0.000 2.506 183 M HA -0.055 4.424 4.480 -0.002 0.000 0.260 183 M C 1.831 177.978 176.300 -0.256 0.000 1.104 183 M CA 1.257 56.330 55.300 -0.377 0.000 1.112 183 M CB -0.643 31.402 32.600 -0.925 0.000 1.401 183 M HN 0.231 nan 8.290 nan 0.000 0.473 184 Q N -0.661 119.024 119.800 -0.191 0.000 2.187 184 Q HA -0.075 4.264 4.340 -0.002 0.000 0.199 184 Q C 1.902 177.895 176.000 -0.012 0.000 0.957 184 Q CA 1.528 57.343 55.803 0.019 0.000 0.857 184 Q CB 0.127 28.880 28.738 0.026 0.000 0.929 184 Q HN 0.530 nan 8.270 nan 0.000 0.453 185 V N -3.322 116.526 119.914 -0.111 0.000 2.719 185 V HA -0.067 4.052 4.120 -0.002 0.000 0.252 185 V C 1.986 177.997 176.094 -0.138 0.000 1.065 185 V CA 0.805 63.022 62.300 -0.138 0.000 1.086 185 V CB -0.460 31.219 31.823 -0.241 0.000 0.700 185 V HN 0.042 nan 8.190 nan 0.000 0.467 186 V N 1.196 121.014 119.914 -0.161 0.000 2.453 186 V HA -0.169 3.949 4.120 -0.002 0.000 0.247 186 V C 2.699 178.776 176.094 -0.029 0.000 1.048 186 V CA 2.324 64.545 62.300 -0.133 0.000 1.049 186 V CB -0.400 31.330 31.823 -0.154 0.000 0.672 186 V HN 0.770 nan 8.190 nan 0.000 0.457 187 E N 0.346 120.570 120.200 0.040 0.000 2.358 187 E HA -0.096 4.253 4.350 -0.002 0.000 0.195 187 E C 2.058 178.705 176.600 0.078 0.000 1.010 187 E CA 0.974 57.432 56.400 0.096 0.000 0.856 187 E CB -0.001 29.810 29.700 0.184 0.000 0.795 187 E HN 0.552 nan 8.360 nan 0.000 0.504 188 A N 1.251 124.101 122.820 0.050 0.000 1.898 188 A HA -0.148 4.171 4.320 -0.002 0.000 0.214 188 A C 2.011 179.616 177.584 0.036 0.000 1.183 188 A CA 1.520 53.581 52.037 0.040 0.000 0.622 188 A CB -0.378 18.633 19.000 0.018 0.000 0.824 188 A HN 0.310 nan 8.150 nan 0.000 0.444 189 D N -0.987 119.427 120.400 0.024 0.000 2.194 189 D HA -0.030 4.609 4.640 -0.002 0.000 0.204 189 D C 1.871 178.226 176.300 0.092 0.000 0.964 189 D CA 0.838 54.864 54.000 0.043 0.000 0.846 189 D CB -0.155 40.660 40.800 0.025 0.000 0.962 189 D HN 0.343 nan 8.370 nan 0.000 0.490 190 M N -0.369 119.293 119.600 0.104 0.000 2.349 190 M HA 0.029 4.508 4.480 -0.002 0.000 0.266 190 M C 1.751 178.118 176.300 0.111 0.000 1.076 190 M CA 0.497 55.889 55.300 0.154 0.000 1.126 190 M CB 0.229 32.921 32.600 0.152 0.000 1.392 190 M HN 0.081 nan 8.290 nan 0.000 0.440 191 L N -1.428 119.847 121.223 0.086 0.000 2.509 191 L HA -0.025 4.314 4.340 -0.002 0.000 0.222 191 L C 2.340 179.244 176.870 0.056 0.000 1.123 191 L CA 0.358 55.241 54.840 0.072 0.000 0.856 191 L CB -0.315 41.787 42.059 0.072 0.000 0.985 191 L HN 0.219 nan 8.230 nan 0.000 0.456 192 S N -0.503 115.230 115.700 0.055 0.000 2.496 192 S HA 0.004 4.473 4.470 -0.002 0.000 0.224 192 S C 1.597 176.220 174.600 0.038 0.000 0.996 192 S CA 0.829 59.054 58.200 0.042 0.000 0.927 192 S CB 0.323 63.545 63.200 0.037 0.000 0.774 192 S HN 0.391 nan 8.310 nan 0.000 0.524 193 K N -0.794 119.635 120.400 0.048 0.000 2.755 193 K HA 0.313 4.632 4.320 -0.002 0.000 0.214 193 K C 1.579 178.197 176.600 0.030 0.000 1.572 193 K CA 0.342 56.647 56.287 0.031 0.000 1.020 193 K CB -0.616 31.899 32.500 0.024 0.000 1.905 193 K HN 0.191 nan 8.250 nan 0.000 0.467 194 G N 2.070 110.902 108.800 0.052 0.000 2.679 194 G HA2 0.091 4.050 3.960 -0.002 0.000 0.158 194 G HA3 0.091 4.050 3.960 -0.002 0.000 0.158 194 G C -0.244 174.692 174.900 0.060 0.000 1.702 194 G CA -0.268 44.863 45.100 0.052 0.000 1.041 194 G HN 0.015 nan 8.290 nan 0.000 0.507 195 L N 0.741 122.011 121.223 0.078 0.000 2.559 195 L HA 0.209 4.548 4.340 -0.002 0.000 0.274 195 L C 0.289 177.198 176.870 0.066 0.000 1.205 195 L CA 0.536 55.416 54.840 0.067 0.000 0.907 195 L CB 0.385 42.489 42.059 0.075 0.000 1.153 195 L HN 0.172 nan 8.230 nan 0.000 0.490 196 L N 2.933 124.186 121.223 0.051 0.000 2.334 196 L HA 0.966 5.304 4.340 -0.002 0.000 0.270 196 L C 0.669 177.565 176.870 0.044 0.000 1.018 196 L CA -0.379 54.489 54.840 0.046 0.000 0.811 196 L CB 1.578 43.658 42.059 0.034 0.000 1.271 196 L HN 0.744 nan 8.230 nan 0.000 0.443 197 G N -0.244 108.580 108.800 0.041 0.000 2.452 197 G HA2 0.428 4.387 3.960 -0.002 0.000 0.224 197 G HA3 0.428 4.387 3.960 -0.002 0.000 0.224 197 G C -0.662 174.253 174.900 0.025 0.000 1.208 197 G CA 0.042 45.162 45.100 0.032 0.000 0.946 197 G HN 0.870 nan 8.290 nan 0.000 0.481 198 G N -1.489 107.318 108.800 0.012 0.000 3.414 198 G HA2 0.583 4.542 3.960 -0.002 0.000 0.189 198 G HA3 0.583 4.542 3.960 -0.002 0.000 0.189 198 G C -0.463 174.443 174.900 0.011 0.000 1.329 198 G CA 0.942 46.039 45.100 -0.004 0.000 0.851 198 G HN 0.881 nan 8.290 nan 0.000 0.671 199 E N -0.205 119.961 120.200 -0.058 0.000 2.781 199 E HA 0.256 4.604 4.350 -0.002 0.000 0.352 199 E C -0.117 176.302 176.600 -0.302 0.000 1.075 199 E CA -0.298 56.074 56.400 -0.046 0.000 0.863 199 E CB 0.490 30.244 29.700 0.089 0.000 1.410 199 E HN 0.517 nan 8.360 nan 0.000 0.393 200 A N 1.525 123.898 122.820 -0.744 0.000 2.478 200 A HA 0.097 4.416 4.320 -0.002 0.000 0.239 200 A C 0.233 177.295 177.584 -0.870 0.000 1.480 200 A CA -0.058 51.510 52.037 -0.782 0.000 1.308 200 A CB -1.082 17.446 19.000 -0.786 0.000 0.899 200 A HN 0.558 nan 8.150 nan 0.000 0.600 201 W N -2.691 118.720 121.300 0.184 0.000 2.555 201 W HA 0.227 4.886 4.660 -0.002 0.000 0.324 201 W C 1.965 178.595 176.519 0.184 0.000 0.973 201 W CA 0.319 57.807 57.345 0.238 0.000 1.481 201 W CB -0.026 29.375 29.460 -0.099 0.000 1.064 201 W HN 0.285 nan 8.180 nan 0.000 0.543 202 S N 0.730 116.570 115.700 0.233 0.000 2.436 202 S HA -0.128 4.341 4.470 -0.002 0.000 0.228 202 S C 1.974 176.678 174.600 0.174 0.000 1.014 202 S CA 1.753 60.058 58.200 0.175 0.000 0.950 202 S CB -0.314 62.948 63.200 0.104 0.000 0.784 202 S HN 0.184 nan 8.310 nan 0.000 0.504 203 S N -1.043 114.748 115.700 0.152 0.000 2.561 203 S HA 0.059 4.528 4.470 -0.002 0.000 0.225 203 S C 0.238 174.946 174.600 0.180 0.000 0.977 203 S CA -0.317 57.950 58.200 0.112 0.000 0.926 203 S CB -0.624 62.600 63.200 0.040 0.000 0.769 203 S HN 0.608 nan 8.310 nan 0.000 0.533 204 W N 4.024 125.366 121.300 0.070 0.000 1.839 204 W HA 0.287 4.945 4.660 -0.002 0.000 0.489 204 W C 0.952 177.507 176.519 0.060 0.000 0.789 204 W CA -0.382 56.970 57.345 0.013 0.000 1.900 204 W CB -0.792 28.665 29.460 -0.006 0.000 1.773 204 W HN 0.385 nan 8.180 nan 0.000 0.251 205 H N 3.446 122.579 119.070 0.106 0.000 2.852 205 H HA -0.044 4.511 4.556 -0.002 0.000 0.362 205 H C 1.589 176.942 175.328 0.042 0.000 1.122 205 H CA 0.082 56.175 56.048 0.074 0.000 1.419 205 H CB 1.216 31.008 29.762 0.050 0.000 1.401 205 H HN 0.223 nan 8.280 nan 0.000 0.609 206 K N 2.982 123.277 120.400 -0.176 0.000 2.589 206 K HA -0.132 4.187 4.320 -0.002 0.000 0.195 206 K C 0.806 177.262 176.600 -0.240 0.000 1.040 206 K CA 0.784 56.970 56.287 -0.168 0.000 0.950 206 K CB 0.131 32.515 32.500 -0.194 0.000 0.781 206 K HN 0.577 nan 8.250 nan 0.000 0.486 207 E N 2.058 122.104 120.200 -0.257 0.000 2.021 207 E HA -0.112 4.237 4.350 -0.002 0.000 0.189 207 E C 1.500 177.351 176.600 -1.248 0.000 0.980 207 E CA 0.945 57.098 56.400 -0.411 0.000 0.803 207 E CB -0.224 29.562 29.700 0.143 0.000 0.766 207 E HN 0.325 nan 8.360 nan 0.000 0.449 208 D N 0.613 120.710 120.400 -0.505 0.000 2.116 208 D HA -0.160 4.479 4.640 -0.002 0.000 0.193 208 D C 1.968 178.049 176.300 -0.365 0.000 0.998 208 D CA 1.555 55.326 54.000 -0.381 0.000 0.836 208 D CB -0.469 40.001 40.800 -0.550 0.000 0.951 208 D HN 0.077 nan 8.370 nan 0.000 0.449 209 S N -0.016 115.610 115.700 -0.123 0.000 2.359 209 S HA -0.146 4.323 4.470 -0.002 0.000 0.224 209 S C 2.012 176.613 174.600 0.002 0.000 1.035 209 S CA 0.853 59.126 58.200 0.121 0.000 1.018 209 S CB -0.150 63.119 63.200 0.116 0.000 0.876 209 S HN 0.116 nan 8.310 nan 0.000 0.448 210 I N 1.706 122.195 120.570 -0.135 0.000 2.252 210 I HA -0.082 4.087 4.170 -0.002 0.000 0.245 210 I C 2.355 178.519 176.117 0.079 0.000 1.102 210 I CA 1.345 62.622 61.300 -0.038 0.000 1.385 210 I CB -1.922 36.056 38.000 -0.036 0.000 1.064 210 I HN 0.420 nan 8.210 nan 0.000 0.414 211 H N 0.818 119.928 119.070 0.066 0.000 2.353 211 H HA -0.089 4.466 4.556 -0.002 0.000 0.298 211 H C 2.531 177.920 175.328 0.102 0.000 1.103 211 H CA 1.243 57.339 56.048 0.080 0.000 1.293 211 H CB -1.061 28.758 29.762 0.095 0.000 1.372 211 H HN 0.151 nan 8.280 nan 0.000 0.501 212 V N 0.521 120.563 119.914 0.214 0.000 2.307 212 V HA -0.141 3.978 4.120 -0.002 0.000 0.245 212 V C 2.780 178.961 176.094 0.144 0.000 1.045 212 V CA 1.830 64.251 62.300 0.202 0.000 1.024 212 V CB -1.185 30.773 31.823 0.225 0.000 0.651 212 V HN 0.573 nan 8.190 nan 0.000 0.449 213 G N 0.066 108.933 108.800 0.111 0.000 2.440 213 G HA2 -0.221 3.738 3.960 -0.002 0.000 0.218 213 G HA3 -0.221 3.738 3.960 -0.002 0.000 0.218 213 G C 1.651 176.584 174.900 0.055 0.000 1.154 213 G CA 1.409 46.551 45.100 0.069 0.000 0.767 213 G HN 0.393 nan 8.290 nan 0.000 0.552 214 V N 1.056 121.013 119.914 0.071 0.000 2.295 214 V HA -0.165 3.954 4.120 -0.002 0.000 0.246 214 V C 2.730 178.839 176.094 0.025 0.000 1.049 214 V CA 2.194 64.523 62.300 0.048 0.000 1.024 214 V CB -0.546 31.319 31.823 0.070 0.000 0.648 214 V HN 0.472 nan 8.190 nan 0.000 0.447 215 R N -0.074 120.453 120.500 0.045 0.000 2.120 215 R HA -0.149 4.190 4.340 -0.002 0.000 0.234 215 R C 2.133 178.407 176.300 -0.043 0.000 1.123 215 R CA 2.227 58.327 56.100 -0.001 0.000 0.975 215 R CB -0.911 29.431 30.300 0.070 0.000 0.866 215 R HN 0.537 nan 8.270 nan 0.000 0.446 216 C N 0.121 119.427 119.300 0.009 0.000 2.453 216 C HA 0.035 4.494 4.460 -0.002 0.000 0.277 216 C C 2.512 177.486 174.990 -0.028 0.000 1.262 216 C CA 0.537 59.556 59.018 0.001 0.000 1.718 216 C CB -0.831 26.927 27.740 0.029 0.000 2.031 216 C HN 0.538 nan 8.230 nan 0.000 0.480 217 I N 1.152 121.710 120.570 -0.019 0.000 2.208 217 I HA -0.242 3.927 4.170 -0.002 0.000 0.245 217 I C 2.554 178.642 176.117 -0.047 0.000 1.097 217 I CA 1.729 63.014 61.300 -0.026 0.000 1.363 217 I CB -0.741 37.248 38.000 -0.019 0.000 1.051 217 I HN 0.472 nan 8.210 nan 0.000 0.413 218 E N 0.526 120.685 120.200 -0.067 0.000 2.058 218 E HA -0.240 4.109 4.350 -0.002 0.000 0.194 218 E C 2.297 178.811 176.600 -0.143 0.000 0.997 218 E CA 1.358 57.696 56.400 -0.104 0.000 0.801 218 E CB -0.116 29.504 29.700 -0.134 0.000 0.746 218 E HN 0.433 nan 8.360 nan 0.000 0.450 219 M N 0.160 119.657 119.600 -0.173 0.000 2.374 219 M HA -0.100 4.379 4.480 -0.002 0.000 0.264 219 M C 2.201 178.452 176.300 -0.081 0.000 1.067 219 M CA 0.656 55.849 55.300 -0.179 0.000 1.103 219 M CB -0.125 32.367 32.600 -0.181 0.000 1.402 219 M HN 0.176 nan 8.290 nan 0.000 0.444 220 L N 0.917 122.108 121.223 -0.052 0.000 2.023 220 L HA -0.059 4.280 4.340 -0.002 0.000 0.205 220 L C 1.989 178.858 176.870 -0.001 0.000 1.073 220 L CA 1.808 56.638 54.840 -0.018 0.000 0.745 220 L CB -0.629 41.423 42.059 -0.012 0.000 0.900 220 L HN 0.181 nan 8.230 nan 0.000 0.435 221 I N -0.800 119.764 120.570 -0.011 0.000 2.546 221 I HA -0.208 3.961 4.170 -0.002 0.000 0.255 221 I C 2.377 178.492 176.117 -0.003 0.000 1.163 221 I CA 0.883 62.184 61.300 0.000 0.000 1.457 221 I CB -0.306 37.689 38.000 -0.010 0.000 1.092 221 I HN 0.397 nan 8.210 nan 0.000 0.434 222 E N 1.154 121.339 120.200 -0.025 0.000 2.006 222 E HA -0.213 4.136 4.350 -0.002 0.000 0.192 222 E C 2.309 178.910 176.600 0.002 0.000 0.993 222 E CA 1.965 58.349 56.400 -0.027 0.000 0.808 222 E CB 0.067 29.718 29.700 -0.081 0.000 0.764 222 E HN 0.475 nan 8.360 nan 0.000 0.449 223 S N -1.197 114.505 115.700 0.004 0.000 2.453 223 S HA -0.016 4.453 4.470 -0.002 0.000 0.231 223 S C 0.924 175.549 174.600 0.041 0.000 1.005 223 S CA 0.683 58.899 58.200 0.027 0.000 0.949 223 S CB 0.450 63.667 63.200 0.027 0.000 0.774 223 S HN 0.150 nan 8.310 nan 0.000 0.510 224 T N -0.741 113.840 114.554 0.046 0.000 2.821 224 T HA 0.567 4.916 4.350 -0.002 0.000 0.306 224 T C -0.206 174.540 174.700 0.076 0.000 1.313 224 T CA -0.182 61.966 62.100 0.080 0.000 1.012 224 T CB 1.486 70.421 68.868 0.112 0.000 1.298 224 T HN 0.176 nan 8.240 nan 0.000 0.502 225 G N 2.114 110.966 108.800 0.087 0.000 3.782 225 G HA2 0.238 4.197 3.960 -0.002 0.000 0.288 225 G HA3 0.238 4.197 3.960 -0.002 0.000 0.288 225 G C 1.053 175.984 174.900 0.052 0.000 1.300 225 G CA -0.247 44.875 45.100 0.037 0.000 1.261 225 G HN 0.723 nan 8.290 nan 0.000 0.591 226 M N 0.559 120.252 119.600 0.156 0.000 2.175 226 M HA 0.062 4.541 4.480 -0.002 0.000 0.264 226 M C 0.456 176.825 176.300 0.114 0.000 1.063 226 M CA 1.340 56.779 55.300 0.232 0.000 1.119 226 M CB 0.175 32.901 32.600 0.210 0.000 1.377 226 M HN 0.125 nan 8.290 nan 0.000 0.415 227 V N -2.309 117.644 119.914 0.065 0.000 2.962 227 V HA 0.636 4.755 4.120 -0.002 0.000 0.313 227 V C -0.749 175.360 176.094 0.025 0.000 1.099 227 V CA -0.891 61.434 62.300 0.041 0.000 0.971 227 V CB 1.696 33.535 31.823 0.025 0.000 1.028 227 V HN 0.051 nan 8.190 nan 0.000 0.430 228 S N 3.022 118.742 115.700 0.033 0.000 2.605 228 S HA 0.554 5.023 4.470 -0.002 0.000 0.308 228 S C -0.592 174.003 174.600 -0.009 0.000 1.113 228 S CA -0.351 57.875 58.200 0.042 0.000 1.049 228 S CB 1.341 64.596 63.200 0.092 0.000 1.001 228 S HN 0.942 nan 8.310 nan 0.000 0.480 229 L N 6.082 127.280 121.223 -0.042 0.000 2.384 229 L HA 0.322 4.661 4.340 -0.002 0.000 0.258 229 L C -0.277 176.550 176.870 -0.072 0.000 1.266 229 L CA -0.026 54.749 54.840 -0.110 0.000 1.162 229 L CB -1.451 40.572 42.059 -0.060 0.000 1.375 229 L HN 0.713 nan 8.230 nan 0.000 0.420 230 H N 0.576 119.648 119.070 0.003 0.000 2.467 230 H HA 0.663 5.218 4.556 -0.002 0.000 0.326 230 H C 0.096 175.427 175.328 0.004 0.000 1.094 230 H CA -1.212 54.838 56.048 0.002 0.000 1.253 230 H CB 0.520 30.282 29.762 0.001 0.000 1.439 230 H HN 0.420 nan 8.280 nan 0.000 0.479 231 R N 2.112 122.712 120.500 0.167 0.000 2.679 231 R HA 0.112 4.451 4.340 -0.002 0.000 0.268 231 R C -0.536 175.878 176.300 0.190 0.000 1.044 231 R CA 0.003 56.175 56.100 0.120 0.000 1.105 231 R CB 0.353 30.695 30.300 0.071 0.000 0.989 231 R HN 0.778 nan 8.270 nan 0.000 0.447 232 Q N 2.816 122.694 119.800 0.129 0.000 2.282 232 Q HA 0.217 4.556 4.340 -0.002 0.000 0.260 232 Q C -0.715 175.321 176.000 0.061 0.000 0.964 232 Q CA -0.645 55.227 55.803 0.114 0.000 0.880 232 Q CB 1.534 30.334 28.738 0.104 0.000 1.286 232 Q HN 0.707 nan 8.270 nan 0.000 0.445 233 N N 0.966 119.691 118.700 0.042 0.000 2.696 233 N HA -0.228 4.511 4.740 -0.002 0.000 0.271 233 N C -0.979 174.547 175.510 0.026 0.000 0.997 233 N CA 1.009 54.074 53.050 0.026 0.000 0.801 233 N CB -0.668 37.832 38.487 0.022 0.000 0.913 233 N HN 0.560 nan 8.380 nan 0.000 0.557 234 A N 0.528 123.365 122.820 0.027 0.000 2.489 234 A HA 0.501 4.820 4.320 -0.002 0.000 0.289 234 A C 1.511 179.105 177.584 0.017 0.000 1.216 234 A CA 0.631 52.682 52.037 0.024 0.000 0.883 234 A CB -0.335 18.680 19.000 0.026 0.000 1.110 234 A HN 1.074 nan 8.150 nan 0.000 0.523 235 G N 1.137 109.946 108.800 0.016 0.000 2.456 235 G HA2 0.184 4.143 3.960 -0.002 0.000 0.208 235 G HA3 0.184 4.143 3.960 -0.002 0.000 0.208 235 G C -0.311 174.596 174.900 0.012 0.000 1.004 235 G CA 0.008 45.115 45.100 0.013 0.000 0.791 235 G HN 1.552 nan 8.290 nan 0.000 0.537 236 V N 0.089 120.011 119.914 0.013 0.000 2.709 236 V HA 0.572 4.691 4.120 -0.002 0.000 0.308 236 V C 1.433 177.535 176.094 0.013 0.000 1.062 236 V CA -0.597 61.710 62.300 0.012 0.000 0.901 236 V CB 1.481 33.311 31.823 0.012 0.000 1.003 236 V HN 0.021 nan 8.190 nan 0.000 0.425 237 V N 2.683 122.604 119.914 0.012 0.000 2.407 237 V HA -0.057 4.061 4.120 -0.002 0.000 0.248 237 V C 2.047 178.149 176.094 0.013 0.000 1.055 237 V CA 2.592 64.899 62.300 0.012 0.000 1.049 237 V CB -0.584 31.245 31.823 0.011 0.000 0.662 237 V HN 1.097 nan 8.190 nan 0.000 0.455 238 G N -1.758 107.050 108.800 0.012 0.000 3.502 238 G HA2 0.225 4.184 3.960 -0.002 0.000 0.267 238 G HA3 0.225 4.184 3.960 -0.002 0.000 0.267 238 G C 0.959 175.867 174.900 0.014 0.000 1.090 238 G CA -0.016 45.092 45.100 0.012 0.000 0.795 238 G HN 0.525 nan 8.290 nan 0.000 0.535 239 Q N -0.545 119.264 119.800 0.015 0.000 2.384 239 Q HA 0.068 4.407 4.340 -0.002 0.000 0.264 239 Q C 0.237 176.250 176.000 0.022 0.000 0.825 239 Q CA -0.365 55.448 55.803 0.018 0.000 0.984 239 Q CB 0.697 29.445 28.738 0.016 0.000 1.183 239 Q HN 0.238 nan 8.270 nan 0.000 0.537 240 D N 2.190 122.602 120.400 0.020 0.000 2.606 240 D HA -0.007 4.632 4.640 -0.002 0.000 0.234 240 D C -0.880 175.433 176.300 0.022 0.000 1.140 240 D CA 0.373 54.386 54.000 0.023 0.000 1.182 240 D CB 0.043 40.854 40.800 0.019 0.000 1.130 240 D HN -0.020 nan 8.370 nan 0.000 0.485 241 S N 2.421 118.137 115.700 0.026 0.000 2.474 241 S HA 0.100 4.569 4.470 -0.002 0.000 0.320 241 S C 0.096 174.707 174.600 0.018 0.000 1.067 241 S CA -0.691 57.521 58.200 0.021 0.000 1.127 241 S CB 1.312 64.525 63.200 0.021 0.000 0.971 241 S HN 0.401 nan 8.310 nan 0.000 0.472 242 E N 2.730 122.933 120.200 0.006 0.000 2.480 242 E HA 0.141 4.490 4.350 -0.002 0.000 0.258 242 E C 0.533 177.103 176.600 -0.049 0.000 0.984 242 E CA 0.234 56.624 56.400 -0.016 0.000 0.930 242 E CB 0.412 30.105 29.700 -0.013 0.000 0.936 242 E HN 0.695 nan 8.360 nan 0.000 0.466 243 T N 1.303 115.784 114.554 -0.122 0.000 2.669 243 T HA 0.626 4.975 4.350 -0.002 0.000 0.283 243 T C -0.516 173.970 174.700 -0.357 0.000 1.019 243 T CA -0.953 61.045 62.100 -0.171 0.000 1.039 243 T CB 0.957 69.778 68.868 -0.079 0.000 1.374 243 T HN 0.215 nan 8.240 nan 0.000 0.523 244 I N 0.462 120.868 120.570 -0.274 0.000 2.828 244 I HA 0.650 4.818 4.170 -0.002 0.000 0.302 244 I C -0.348 175.714 176.117 -0.092 0.000 1.101 244 I CA -0.744 60.412 61.300 -0.240 0.000 1.031 244 I CB 1.983 39.925 38.000 -0.098 0.000 1.231 244 I HN 0.983 nan 8.210 nan 0.000 0.427 245 E N 3.362 123.567 120.200 0.008 0.000 2.340 245 E HA 0.488 4.837 4.350 -0.002 0.000 0.273 245 E C -1.596 175.058 176.600 0.090 0.000 0.891 245 E CA -0.679 55.809 56.400 0.147 0.000 0.757 245 E CB 3.180 33.096 29.700 0.359 0.000 1.231 245 E HN 0.510 nan 8.360 nan 0.000 0.439 246 L N 2.129 123.399 121.223 0.079 0.000 2.475 246 L HA 0.546 4.885 4.340 -0.002 0.000 0.253 246 L C -0.365 176.536 176.870 0.050 0.000 1.198 246 L CA -0.070 54.813 54.840 0.070 0.000 0.814 246 L CB 0.817 42.920 42.059 0.074 0.000 1.134 246 L HN 0.704 nan 8.230 nan 0.000 0.478 247 A N 3.427 126.274 122.820 0.046 0.000 2.302 247 A HA 0.416 4.735 4.320 -0.002 0.000 0.295 247 A C -1.886 175.670 177.584 -0.046 0.000 1.235 247 A CA -1.310 50.694 52.037 -0.055 0.000 0.876 247 A CB 0.144 19.013 19.000 -0.217 0.000 1.133 247 A HN 0.691 nan 8.150 nan 0.000 0.533 248 P HA -0.173 nan 4.420 nan 0.000 0.217 248 P C 0.793 178.071 177.300 -0.037 0.000 1.148 248 P CA 1.453 64.532 63.100 -0.034 0.000 0.828 248 P CB 0.371 32.046 31.700 -0.042 0.000 0.783 249 E N -1.479 118.657 120.200 -0.107 0.000 2.021 249 E HA -0.131 4.218 4.350 -0.002 0.000 0.189 249 E C 2.071 178.695 176.600 0.040 0.000 0.980 249 E CA 1.178 57.524 56.400 -0.091 0.000 0.803 249 E CB -1.188 28.378 29.700 -0.224 0.000 0.766 249 E HN 0.408 nan 8.360 nan 0.000 0.449 250 Y N 0.576 120.883 120.300 0.012 0.000 2.274 250 Y HA -0.209 4.340 4.550 -0.002 0.000 0.290 250 Y C 2.357 178.270 175.900 0.022 0.000 1.145 250 Y CA 0.101 58.209 58.100 0.013 0.000 1.203 250 Y CB -0.160 38.308 38.460 0.015 0.000 0.984 250 Y HN 0.094 nan 8.280 nan 0.000 0.533 251 A N 0.617 123.537 122.820 0.166 0.000 1.902 251 A HA -0.233 4.086 4.320 -0.002 0.000 0.217 251 A C 1.947 179.591 177.584 0.099 0.000 1.181 251 A CA 1.888 53.996 52.037 0.119 0.000 0.623 251 A CB -0.575 18.474 19.000 0.083 0.000 0.818 251 A HN 0.493 nan 8.150 nan 0.000 0.443 252 E N -0.297 119.950 120.200 0.077 0.000 2.051 252 E HA -0.104 4.245 4.350 -0.002 0.000 0.192 252 E C 2.384 179.014 176.600 0.051 0.000 0.991 252 E CA 0.933 57.366 56.400 0.055 0.000 0.799 252 E CB -0.338 29.384 29.700 0.037 0.000 0.748 252 E HN 0.603 nan 8.360 nan 0.000 0.449 253 A N 1.384 124.248 122.820 0.073 0.000 1.917 253 A HA -0.234 4.085 4.320 -0.002 0.000 0.219 253 A C 2.202 179.797 177.584 0.018 0.000 1.182 253 A CA 1.526 53.594 52.037 0.052 0.000 0.633 253 A CB -0.809 18.250 19.000 0.098 0.000 0.819 253 A HN 0.176 nan 8.150 nan 0.000 0.448 254 I N -0.377 120.219 120.570 0.044 0.000 2.113 254 I HA -0.258 3.911 4.170 -0.002 0.000 0.238 254 I C 2.998 179.105 176.117 -0.016 0.000 1.070 254 I CA 1.043 62.353 61.300 0.017 0.000 1.332 254 I CB -0.780 37.274 38.000 0.090 0.000 1.044 254 I HN 0.343 nan 8.210 nan 0.000 0.402 255 A N 1.108 123.955 122.820 0.045 0.000 1.881 255 A HA -0.309 4.010 4.320 -0.002 0.000 0.219 255 A C 2.416 179.978 177.584 -0.037 0.000 1.215 255 A CA 3.196 55.259 52.037 0.044 0.000 0.648 255 A CB -1.487 17.552 19.000 0.065 0.000 0.832 255 A HN 0.481 nan 8.150 nan 0.000 0.455 256 T N -0.812 113.719 114.554 -0.039 0.000 2.674 256 T HA -0.142 4.207 4.350 -0.002 0.000 0.265 256 T C 2.135 176.762 174.700 -0.121 0.000 1.039 256 T CA 1.281 63.340 62.100 -0.069 0.000 1.150 256 T CB -0.298 68.543 68.868 -0.045 0.000 0.864 256 T HN 0.341 nan 8.240 nan 0.000 0.427 257 R N 1.334 121.762 120.500 -0.121 0.000 2.103 257 R HA -0.041 4.298 4.340 -0.002 0.000 0.242 257 R C 2.555 178.700 176.300 -0.258 0.000 1.142 257 R CA 1.905 57.912 56.100 -0.156 0.000 0.960 257 R CB -1.094 29.128 30.300 -0.130 0.000 0.858 257 R HN 0.457 nan 8.270 nan 0.000 0.439 258 A N -0.280 122.348 122.820 -0.320 0.000 1.873 258 A HA -0.018 4.301 4.320 -0.002 0.000 0.215 258 A C 2.260 179.503 177.584 -0.568 0.000 1.186 258 A CA 1.714 53.413 52.037 -0.564 0.000 0.616 258 A CB -1.207 17.438 19.000 -0.591 0.000 0.823 258 A HN 0.464 nan 8.150 nan 0.000 0.442 259 G N -0.405 108.212 108.800 -0.304 0.000 2.941 259 G HA2 -0.082 3.877 3.960 -0.002 0.000 0.206 259 G HA3 -0.082 3.877 3.960 -0.002 0.000 0.206 259 G C 1.829 176.567 174.900 -0.271 0.000 1.403 259 G CA 2.238 47.203 45.100 -0.225 0.000 0.805 259 G HN 1.159 nan 8.290 nan 0.000 0.689 260 A N -0.158 122.536 122.820 -0.210 0.000 1.935 260 A HA -0.252 4.067 4.320 -0.002 0.000 0.224 260 A C 2.472 179.930 177.584 -0.211 0.000 1.324 260 A CA 2.622 54.545 52.037 -0.189 0.000 0.686 260 A CB -0.892 18.020 19.000 -0.147 0.000 0.837 260 A HN 0.593 nan 8.150 nan 0.000 0.481 261 L N -0.651 120.393 121.223 -0.299 0.000 2.013 261 L HA -0.170 4.169 4.340 -0.002 0.000 0.212 261 L C 2.898 179.530 176.870 -0.397 0.000 1.073 261 L CA 2.391 57.024 54.840 -0.346 0.000 0.753 261 L CB -1.024 40.748 42.059 -0.478 0.000 0.890 261 L HN 0.464 nan 8.230 nan 0.000 0.432 262 A N -1.085 121.351 122.820 -0.640 0.000 2.139 262 A HA -0.158 4.161 4.320 -0.002 0.000 0.221 262 A C 2.198 179.777 177.584 -0.009 0.000 1.159 262 A CA 1.646 53.454 52.037 -0.382 0.000 0.662 262 A CB -1.240 17.595 19.000 -0.275 0.000 0.796 262 A HN 0.545 nan 8.150 nan 0.000 0.463 263 G N -0.851 107.939 108.800 -0.016 0.000 2.744 263 G HA2 0.214 4.173 3.960 -0.002 0.000 0.211 263 G HA3 0.214 4.173 3.960 -0.002 0.000 0.211 263 G C 1.015 176.000 174.900 0.141 0.000 1.146 263 G CA 0.551 45.758 45.100 0.177 0.000 0.787 263 G HN 0.518 nan 8.290 nan 0.000 0.534 264 I N 1.128 121.706 120.570 0.012 0.000 3.891 264 I HA 0.173 4.342 4.170 -0.002 0.000 0.331 264 I C 0.097 176.160 176.117 -0.089 0.000 1.406 264 I CA 0.080 61.376 61.300 -0.007 0.000 1.139 264 I CB 0.598 38.601 38.000 0.004 0.000 1.056 264 I HN -0.086 nan 8.210 nan 0.000 0.399 265 S N 3.933 119.560 115.700 -0.120 0.000 2.252 265 S HA 0.283 4.752 4.470 -0.002 0.000 0.180 265 S C -2.372 172.029 174.600 -0.331 0.000 1.534 265 S CA -0.891 57.208 58.200 -0.168 0.000 1.141 265 S CB 0.431 63.624 63.200 -0.012 0.000 1.122 265 S HN 0.132 nan 8.310 nan 0.000 0.475 266 P HA 0.246 nan 4.420 nan 0.000 0.291 266 P C -0.433 176.402 177.300 -0.776 0.000 1.340 266 P CA -0.407 62.199 63.100 -0.823 0.000 0.799 266 P CB 0.588 31.494 31.700 -1.323 0.000 0.917 267 M N 4.185 123.558 119.600 -0.377 0.000 2.720 267 M HA 0.090 4.569 4.480 -0.002 0.000 0.328 267 M C -0.110 176.170 176.300 -0.034 0.000 1.682 267 M CA 0.390 55.575 55.300 -0.192 0.000 1.381 267 M CB -0.848 31.738 32.600 -0.024 0.000 1.868 267 M HN 0.180 nan 8.290 nan 0.000 0.459 268 F N 2.366 122.364 119.950 0.081 0.000 2.541 268 F HA 0.136 4.662 4.527 -0.002 0.000 0.378 268 F C 0.824 176.747 175.800 0.206 0.000 1.068 268 F CA -0.048 58.040 58.000 0.146 0.000 1.199 268 F CB -0.041 39.108 39.000 0.249 0.000 1.091 268 F HN 0.499 nan 8.300 nan 0.000 0.555 269 Q N 4.488 124.520 119.800 0.387 0.000 2.195 269 Q HA 0.475 4.814 4.340 -0.002 0.000 0.250 269 Q C -2.295 173.836 176.000 0.219 0.000 0.988 269 Q CA -1.880 54.127 55.803 0.340 0.000 0.911 269 Q CB 1.728 30.664 28.738 0.330 0.000 1.258 269 Q HN 0.273 nan 8.270 nan 0.000 0.475 270 P HA 0.156 nan 4.420 nan 0.000 0.279 270 P C -1.224 175.916 177.300 -0.267 0.000 1.282 270 P CA -0.437 62.523 63.100 -0.232 0.000 0.788 270 P CB 0.652 31.974 31.700 -0.630 0.000 1.139 271 C N 0.142 119.297 119.300 -0.241 0.000 2.355 271 C HA 0.207 4.666 4.460 -0.002 0.000 0.332 271 C C 1.965 176.918 174.990 -0.061 0.000 1.255 271 C CA -0.217 58.791 59.018 -0.017 0.000 1.792 271 C CB 0.178 28.050 27.740 0.221 0.000 2.300 271 C HN 0.356 nan 8.230 nan 0.000 0.515 272 V N 4.373 124.292 119.914 0.008 0.000 2.379 272 V HA -0.038 4.081 4.120 -0.002 0.000 0.245 272 V C 0.858 177.181 176.094 0.382 0.000 1.044 272 V CA 1.701 64.036 62.300 0.058 0.000 1.036 272 V CB -0.887 30.973 31.823 0.062 0.000 0.664 272 V HN 0.816 nan 8.190 nan 0.000 0.453 273 V N -4.276 115.803 119.914 0.274 0.000 2.960 273 V HA 0.647 4.766 4.120 -0.002 0.000 0.315 273 V C -3.012 172.735 176.094 -0.579 0.000 1.087 273 V CA -3.112 59.045 62.300 -0.238 0.000 0.982 273 V CB 1.487 32.869 31.823 -0.736 0.000 1.039 273 V HN 0.042 nan 8.190 nan 0.000 0.437 274 P HA 0.201 nan 4.420 nan 0.000 0.261 274 P C -2.525 174.712 177.300 -0.105 0.000 1.183 274 P CA -0.166 62.267 63.100 -1.112 0.000 0.761 274 P CB -0.336 30.767 31.700 -0.994 0.000 0.785 275 P HA -0.080 nan 4.420 nan 0.000 0.271 275 P C -0.243 177.008 177.300 -0.082 0.000 1.228 275 P CA 0.069 63.247 63.100 0.129 0.000 0.797 275 P CB 0.317 32.023 31.700 0.009 0.000 0.914 276 K N 2.229 122.155 120.400 -0.790 0.000 2.363 276 K HA 0.180 4.499 4.320 -0.002 0.000 0.289 276 K C -2.223 173.965 176.600 -0.686 0.000 1.063 276 K CA -1.713 53.771 56.287 -1.338 0.000 0.967 276 K CB -0.546 30.976 32.500 -1.630 0.000 0.987 276 K HN 0.236 nan 8.250 nan 0.000 0.473 277 P HA -0.124 nan 4.420 nan 0.000 0.269 277 P C -1.138 176.049 177.300 -0.189 0.000 1.205 277 P CA 0.145 63.159 63.100 -0.144 0.000 0.780 277 P CB 0.315 31.989 31.700 -0.044 0.000 0.858 278 W N 0.556 121.829 121.300 -0.044 0.000 2.338 278 W HA 0.318 4.977 4.660 -0.002 0.000 0.307 278 W C 1.717 178.235 176.519 -0.002 0.000 1.167 278 W CA 0.302 57.657 57.345 0.018 0.000 1.208 278 W CB 0.819 30.362 29.460 0.138 0.000 1.228 278 W HN 0.316 nan 8.180 nan 0.000 0.499 279 T N 0.825 115.445 114.554 0.111 0.000 3.046 279 T HA 0.359 4.708 4.350 -0.002 0.000 0.242 279 T C 0.791 175.349 174.700 -0.236 0.000 1.018 279 T CA 1.213 63.264 62.100 -0.082 0.000 1.131 279 T CB -0.140 68.681 68.868 -0.079 0.000 0.904 279 T HN 0.509 nan 8.240 nan 0.000 0.459 280 G N 0.372 109.175 108.800 0.005 0.000 3.111 280 G HA2 0.448 4.407 3.960 -0.002 0.000 0.158 280 G HA3 0.448 4.407 3.960 -0.002 0.000 0.158 280 G C -0.070 175.084 174.900 0.423 0.000 1.161 280 G CA -0.094 45.035 45.100 0.048 0.000 1.025 280 G HN 0.107 nan 8.290 nan 0.000 0.619 281 I N 0.933 121.692 120.570 0.316 0.000 2.703 281 I HA 0.215 4.383 4.170 -0.002 0.000 0.259 281 I C 1.714 178.049 176.117 0.363 0.000 1.151 281 I CA 1.536 63.029 61.300 0.321 0.000 1.470 281 I CB 0.196 38.331 38.000 0.224 0.000 1.112 281 I HN 0.596 nan 8.210 nan 0.000 0.437 282 T N -3.276 111.433 114.554 0.259 0.000 2.676 282 T HA 0.553 4.902 4.350 -0.002 0.000 0.269 282 T C 1.141 175.844 174.700 0.006 0.000 0.952 282 T CA -0.113 62.106 62.100 0.198 0.000 1.040 282 T CB 1.151 70.097 68.868 0.131 0.000 1.352 282 T HN 0.352 nan 8.240 nan 0.000 0.554 283 G N -0.201 108.546 108.800 -0.087 0.000 2.238 283 G HA2 -0.117 3.842 3.960 -0.002 0.000 0.270 283 G HA3 -0.117 3.842 3.960 -0.002 0.000 0.270 283 G C 0.723 175.333 174.900 -0.484 0.000 0.977 283 G CA 0.750 45.732 45.100 -0.197 0.000 0.639 283 G HN 1.346 nan 8.290 nan 0.000 0.544 284 G N -1.640 106.619 108.800 -0.902 0.000 2.572 284 G HA2 0.611 4.570 3.960 -0.002 0.000 0.261 284 G HA3 0.611 4.570 3.960 -0.002 0.000 0.261 284 G C 1.275 175.115 174.900 -1.766 0.000 1.197 284 G CA 1.338 45.448 45.100 -1.651 0.000 0.870 284 G HN 1.796 nan 8.290 nan 0.000 0.548 285 G N -0.149 107.798 108.800 -1.421 0.000 3.675 285 G HA2 -0.243 3.716 3.960 -0.002 0.000 0.275 285 G HA3 -0.243 3.716 3.960 -0.002 0.000 0.275 285 G C 0.370 174.860 174.900 -0.684 0.000 1.648 285 G CA 0.313 44.888 45.100 -0.874 0.000 1.093 285 G HN 0.765 nan 8.290 nan 0.000 0.617 286 Y N 0.489 120.575 120.300 -0.358 0.000 2.258 286 Y HA 0.480 5.029 4.550 -0.002 0.000 0.345 286 Y C 1.447 177.190 175.900 -0.262 0.000 1.303 286 Y CA 0.170 58.169 58.100 -0.169 0.000 1.537 286 Y CB 0.200 38.631 38.460 -0.049 0.000 1.383 286 Y HN 0.510 nan 8.280 nan 0.000 0.606 287 W N -0.458 120.937 121.300 0.159 0.000 2.699 287 W HA 0.433 5.092 4.660 -0.001 0.000 0.267 287 W C 1.086 177.650 176.519 0.076 0.000 1.182 287 W CA 0.649 58.043 57.345 0.082 0.000 1.453 287 W CB -0.712 28.804 29.460 0.093 0.000 1.054 287 W HN 0.537 nan 8.180 nan 0.000 0.595 288 A N 1.142 124.145 122.820 0.304 0.000 2.454 288 A HA -0.035 4.284 4.320 -0.002 0.000 0.256 288 A C 0.312 177.968 177.584 0.120 0.000 1.132 288 A CA 0.494 52.630 52.037 0.165 0.000 0.810 288 A CB -0.305 18.740 19.000 0.075 0.000 1.083 288 A HN 0.395 nan 8.150 nan 0.000 0.516 289 N N -0.579 118.161 118.700 0.067 0.000 2.818 289 N HA 0.328 5.067 4.740 -0.002 0.000 0.301 289 N C 0.156 175.676 175.510 0.016 0.000 1.821 289 N CA -0.217 52.865 53.050 0.053 0.000 0.930 289 N CB 0.708 39.228 38.487 0.054 0.000 1.263 289 N HN 0.844 nan 8.380 nan 0.000 0.487 290 G N 0.253 109.056 108.800 0.005 0.000 2.606 290 G HA2 0.060 4.019 3.960 -0.002 0.000 0.252 290 G HA3 0.060 4.019 3.960 -0.002 0.000 0.252 290 G C 0.659 175.647 174.900 0.148 0.000 1.206 290 G CA -0.401 44.662 45.100 -0.061 0.000 0.861 290 G HN 0.366 nan 8.290 nan 0.000 0.561 291 R N 0.496 121.119 120.500 0.205 0.000 4.779 291 R HA 0.166 4.505 4.340 -0.002 0.000 0.217 291 R C 0.344 176.783 176.300 0.232 0.000 1.934 291 R CA -0.266 55.941 56.100 0.179 0.000 1.623 291 R CB -0.702 29.659 30.300 0.102 0.000 1.364 291 R HN 0.490 nan 8.270 nan 0.000 0.799 292 R N -0.526 120.133 120.500 0.265 0.000 2.291 292 R HA 0.141 4.480 4.340 -0.002 0.000 0.181 292 R C -3.090 173.386 176.300 0.293 0.000 1.158 292 R CA -0.813 55.432 56.100 0.241 0.000 0.733 292 R CB -0.923 29.504 30.300 0.211 0.000 1.414 292 R HN 0.069 nan 8.270 nan 0.000 0.328 293 P HA 0.273 nan 4.420 nan 0.000 0.274 293 P C -0.291 177.118 177.300 0.183 0.000 1.256 293 P CA -0.528 62.684 63.100 0.186 0.000 0.795 293 P CB 0.619 32.380 31.700 0.102 0.000 1.038 294 L N 0.948 122.243 121.223 0.120 0.000 2.385 294 L HA 0.305 4.644 4.340 -0.002 0.000 0.281 294 L C 0.820 177.880 176.870 0.316 0.000 1.106 294 L CA -0.663 54.281 54.840 0.174 0.000 0.856 294 L CB -0.097 42.009 42.059 0.080 0.000 1.186 294 L HN 0.441 nan 8.230 nan 0.000 0.453 295 A N 3.343 126.318 122.820 0.259 0.000 2.466 295 A HA 0.106 4.425 4.320 -0.002 0.000 0.238 295 A C 0.790 178.522 177.584 0.247 0.000 1.074 295 A CA -0.348 51.831 52.037 0.237 0.000 0.774 295 A CB 0.417 19.492 19.000 0.125 0.000 1.015 295 A HN 0.801 nan 8.150 nan 0.000 0.498 296 L N 2.332 123.624 121.223 0.115 0.000 2.418 296 L HA 0.280 4.619 4.340 -0.002 0.000 0.218 296 L C 0.012 176.673 176.870 -0.348 0.000 1.125 296 L CA 1.323 55.896 54.840 -0.445 0.000 0.835 296 L CB 0.122 41.958 42.059 -0.373 0.000 0.953 296 L HN 0.338 nan 8.230 nan 0.000 0.454 297 V N 1.357 121.181 119.914 -0.150 0.000 2.524 297 V HA 0.357 4.475 4.120 -0.002 0.000 0.297 297 V C -0.248 175.824 176.094 -0.035 0.000 1.035 297 V CA -0.665 61.564 62.300 -0.119 0.000 0.867 297 V CB 1.746 33.483 31.823 -0.142 0.000 1.004 297 V HN 0.162 nan 8.190 nan 0.000 0.426 298 R N 3.034 123.484 120.500 -0.083 0.000 2.605 298 R HA 0.237 4.576 4.340 -0.002 0.000 0.271 298 R C 0.589 176.835 176.300 -0.090 0.000 1.418 298 R CA -0.020 56.032 56.100 -0.081 0.000 1.102 298 R CB 0.130 30.339 30.300 -0.151 0.000 1.131 298 R HN 0.807 nan 8.270 nan 0.000 0.554 299 T N -2.108 112.419 114.554 -0.045 0.000 2.923 299 T HA 0.197 4.546 4.350 -0.002 0.000 0.281 299 T C 1.135 175.719 174.700 -0.194 0.000 0.995 299 T CA -0.747 61.297 62.100 -0.093 0.000 0.985 299 T CB 1.427 70.337 68.868 0.071 0.000 1.114 299 T HN 0.471 nan 8.240 nan 0.000 0.548 300 H N 0.535 119.643 119.070 0.063 0.000 2.344 300 H HA 0.210 4.765 4.556 -0.002 0.000 0.307 300 H C 1.423 176.761 175.328 0.017 0.000 1.057 300 H CA 1.057 57.126 56.048 0.035 0.000 1.373 300 H CB -0.400 29.360 29.762 -0.003 0.000 1.421 300 H HN 0.722 nan 8.280 nan 0.000 0.532 301 S N 1.034 116.809 115.700 0.125 0.000 2.578 301 S HA 0.175 4.644 4.470 -0.002 0.000 0.283 301 S C 1.211 175.828 174.600 0.029 0.000 1.195 301 S CA -0.824 57.407 58.200 0.052 0.000 1.050 301 S CB 3.024 66.232 63.200 0.013 0.000 1.012 301 S HN 0.289 nan 8.310 nan 0.000 0.511 302 K N 2.543 122.953 120.400 0.017 0.000 2.009 302 K HA -0.240 4.079 4.320 -0.002 0.000 0.210 302 K C 2.079 178.674 176.600 -0.009 0.000 1.049 302 K CA 2.025 58.320 56.287 0.014 0.000 0.929 302 K CB -0.494 32.010 32.500 0.007 0.000 0.714 302 K HN 0.853 nan 8.250 nan 0.000 0.440 303 K N 0.198 120.575 120.400 -0.038 0.000 2.015 303 K HA -0.190 4.129 4.320 -0.002 0.000 0.216 303 K C 2.048 178.571 176.600 -0.128 0.000 1.052 303 K CA 1.882 58.117 56.287 -0.086 0.000 0.937 303 K CB -0.766 31.672 32.500 -0.103 0.000 0.719 303 K HN 0.169 nan 8.250 nan 0.000 0.446 304 A N 1.223 123.976 122.820 -0.111 0.000 2.084 304 A HA -0.105 4.214 4.320 -0.002 0.000 0.221 304 A C 2.153 179.712 177.584 -0.042 0.000 1.161 304 A CA 1.414 53.370 52.037 -0.135 0.000 0.653 304 A CB -0.578 18.395 19.000 -0.047 0.000 0.802 304 A HN 0.451 nan 8.150 nan 0.000 0.457 305 L N -1.263 119.977 121.223 0.029 0.000 2.084 305 L HA -0.120 4.219 4.340 -0.002 0.000 0.202 305 L C 2.574 179.508 176.870 0.107 0.000 1.074 305 L CA 0.931 55.853 54.840 0.137 0.000 0.757 305 L CB -0.291 41.833 42.059 0.108 0.000 0.918 305 L HN 0.304 nan 8.230 nan 0.000 0.444 306 M N -0.320 119.285 119.600 0.009 0.000 2.089 306 M HA -0.309 4.170 4.480 -0.002 0.000 0.257 306 M C 2.139 178.398 176.300 -0.069 0.000 1.071 306 M CA 1.723 57.015 55.300 -0.013 0.000 1.096 306 M CB -1.653 30.912 32.600 -0.058 0.000 1.330 306 M HN 0.249 nan 8.290 nan 0.000 0.403 307 R N -1.084 119.263 120.500 -0.254 0.000 2.338 307 R HA -0.252 4.087 4.340 -0.002 0.000 0.272 307 R C 1.851 177.909 176.300 -0.403 0.000 1.180 307 R CA 2.199 57.950 56.100 -0.581 0.000 1.020 307 R CB -0.689 28.924 30.300 -1.146 0.000 0.885 307 R HN 0.495 nan 8.270 nan 0.000 0.488 308 Y N -1.004 119.288 120.300 -0.013 0.000 2.522 308 Y HA 0.024 4.574 4.550 -0.001 0.000 0.277 308 Y C 2.279 178.224 175.900 0.076 0.000 1.104 308 Y CA -0.005 58.146 58.100 0.084 0.000 1.260 308 Y CB 0.054 38.556 38.460 0.069 0.000 1.151 308 Y HN 0.043 nan 8.280 nan 0.000 0.539 309 E N 0.763 121.087 120.200 0.207 0.000 2.257 309 E HA -0.320 4.029 4.350 -0.002 0.000 0.229 309 E C 0.127 176.810 176.600 0.137 0.000 1.089 309 E CA 2.132 58.622 56.400 0.149 0.000 0.947 309 E CB -0.150 29.598 29.700 0.079 0.000 0.808 309 E HN 0.429 nan 8.360 nan 0.000 0.471 310 D N 0.026 120.492 120.400 0.109 0.000 2.615 310 D HA 0.140 4.779 4.640 -0.002 0.000 0.236 310 D C -0.623 175.764 176.300 0.145 0.000 1.233 310 D CA -0.062 54.000 54.000 0.104 0.000 0.829 310 D CB 0.760 41.593 40.800 0.056 0.000 1.024 310 D HN -0.076 nan 8.370 nan 0.000 0.490 311 V N 0.995 121.029 119.914 0.201 0.000 2.617 311 V HA 0.169 4.288 4.120 -0.002 0.000 0.298 311 V C -0.379 175.883 176.094 0.280 0.000 1.048 311 V CA -0.859 61.577 62.300 0.225 0.000 0.964 311 V CB 1.643 33.609 31.823 0.238 0.000 1.004 311 V HN 0.087 nan 8.190 nan 0.000 0.466 312 Y N 6.117 126.485 120.300 0.113 0.000 2.367 312 Y HA 0.663 5.213 4.550 -0.001 0.000 0.342 312 Y C 0.055 176.017 175.900 0.103 0.000 0.979 312 Y CA -1.216 56.949 58.100 0.110 0.000 1.161 312 Y CB 1.026 39.532 38.460 0.076 0.000 1.155 312 Y HN 0.643 nan 8.280 nan 0.000 0.503 313 M N 7.676 127.141 119.600 -0.225 0.000 2.213 313 M HA 0.375 4.854 4.480 -0.002 0.000 0.243 313 M C -3.064 173.146 176.300 -0.150 0.000 0.979 313 M CA -1.592 53.577 55.300 -0.218 0.000 1.037 313 M CB 2.032 34.521 32.600 -0.185 0.000 2.200 313 M HN 0.175 nan 8.290 nan 0.000 0.465 314 P HA 0.083 nan 4.420 nan 0.000 0.212 314 P C 1.161 178.443 177.300 -0.029 0.000 1.163 314 P CA 0.892 63.915 63.100 -0.129 0.000 0.892 314 P CB 0.251 31.834 31.700 -0.194 0.000 0.766 315 E N -0.087 120.083 120.200 -0.051 0.000 2.217 315 E HA -0.199 4.150 4.350 -0.002 0.000 0.219 315 E C 1.984 178.563 176.600 -0.035 0.000 1.070 315 E CA 1.454 57.843 56.400 -0.019 0.000 0.889 315 E CB -1.256 28.438 29.700 -0.009 0.000 0.768 315 E HN 0.035 nan 8.360 nan 0.000 0.465 316 V N 0.076 119.947 119.914 -0.072 0.000 2.221 316 V HA -0.250 3.869 4.120 -0.002 0.000 0.242 316 V C 2.124 178.121 176.094 -0.162 0.000 1.041 316 V CA 1.975 64.195 62.300 -0.133 0.000 0.995 316 V CB -0.985 30.717 31.823 -0.203 0.000 0.635 316 V HN 0.159 nan 8.190 nan 0.000 0.448 317 Y N 1.000 121.245 120.300 -0.092 0.000 2.172 317 Y HA -0.323 4.226 4.550 -0.002 0.000 0.280 317 Y C 2.418 178.286 175.900 -0.054 0.000 1.209 317 Y CA 2.016 60.075 58.100 -0.068 0.000 1.171 317 Y CB -0.659 37.775 38.460 -0.043 0.000 0.965 317 Y HN 0.259 nan 8.280 nan 0.000 0.520 318 K N -0.483 119.956 120.400 0.065 0.000 1.963 318 K HA -0.178 4.141 4.320 -0.002 0.000 0.216 318 K C 2.436 178.997 176.600 -0.065 0.000 1.045 318 K CA 1.105 57.393 56.287 0.002 0.000 0.954 318 K CB -0.763 31.730 32.500 -0.012 0.000 0.732 318 K HN 0.220 nan 8.250 nan 0.000 0.442 319 A N 2.090 124.851 122.820 -0.099 0.000 1.887 319 A HA -0.303 4.016 4.320 -0.002 0.000 0.225 319 A C 2.112 179.591 177.584 -0.174 0.000 1.464 319 A CA 2.420 54.361 52.037 -0.160 0.000 0.717 319 A CB -1.159 17.754 19.000 -0.146 0.000 0.848 319 A HN 0.281 nan 8.150 nan 0.000 0.477 320 I N 0.485 120.958 120.570 -0.162 0.000 2.087 320 I HA -0.316 3.853 4.170 -0.002 0.000 0.240 320 I C 2.311 178.415 176.117 -0.021 0.000 1.054 320 I CA 1.938 63.145 61.300 -0.154 0.000 1.311 320 I CB -1.992 35.845 38.000 -0.272 0.000 1.024 320 I HN 0.473 nan 8.210 nan 0.000 0.402 321 N N 0.546 119.277 118.700 0.052 0.000 2.036 321 N HA -0.197 4.542 4.740 -0.002 0.000 0.195 321 N C 1.869 177.395 175.510 0.026 0.000 1.037 321 N CA 1.338 54.459 53.050 0.118 0.000 0.855 321 N CB -0.016 38.539 38.487 0.113 0.000 1.033 321 N HN 0.205 nan 8.380 nan 0.000 0.423 322 I N 1.838 122.354 120.570 -0.090 0.000 2.052 322 I HA -0.282 3.887 4.170 -0.002 0.000 0.235 322 I C 2.616 178.691 176.117 -0.070 0.000 1.046 322 I CA 1.166 62.357 61.300 -0.181 0.000 1.308 322 I CB -1.636 36.153 38.000 -0.352 0.000 1.031 322 I HN 0.079 nan 8.210 nan 0.000 0.395 323 A N -0.006 122.708 122.820 -0.175 0.000 1.849 323 A HA -0.309 4.009 4.320 -0.002 0.000 0.217 323 A C 2.205 179.785 177.584 -0.008 0.000 1.202 323 A CA 2.112 54.039 52.037 -0.184 0.000 0.629 323 A CB -1.199 17.497 19.000 -0.505 0.000 0.834 323 A HN 0.617 nan 8.150 nan 0.000 0.447 324 Q N -0.620 119.200 119.800 0.033 0.000 2.595 324 Q HA -0.240 4.099 4.340 -0.002 0.000 0.219 324 Q C 0.702 176.948 176.000 0.410 0.000 0.984 324 Q CA 1.647 57.754 55.803 0.507 0.000 0.910 324 Q CB -0.282 28.767 28.738 0.517 0.000 0.956 324 Q HN 0.650 nan 8.270 nan 0.000 0.533 325 N N -0.614 118.257 118.700 0.287 0.000 2.204 325 N HA 0.073 4.812 4.740 -0.002 0.000 0.219 325 N C -1.091 174.678 175.510 0.433 0.000 1.151 325 N CA 0.016 53.200 53.050 0.223 0.000 0.867 325 N CB 0.758 39.304 38.487 0.099 0.000 1.043 325 N HN -0.045 nan 8.380 nan 0.000 0.516 326 T N 0.503 115.392 114.554 0.559 0.000 2.884 326 T HA 0.478 4.827 4.350 -0.002 0.000 0.298 326 T C -0.066 174.994 174.700 0.599 0.000 0.998 326 T CA -0.390 61.991 62.100 0.469 0.000 1.124 326 T CB 1.092 70.161 68.868 0.335 0.000 0.931 326 T HN 0.199 nan 8.240 nan 0.000 0.531 327 A N 3.635 126.583 122.820 0.214 0.000 2.289 327 A HA 0.614 4.933 4.320 -0.002 0.000 0.298 327 A C -1.033 176.234 177.584 -0.527 0.000 1.208 327 A CA -0.694 51.042 52.037 -0.501 0.000 0.845 327 A CB 0.252 19.109 19.000 -0.238 0.000 1.125 327 A HN 0.858 nan 8.150 nan 0.000 0.517 328 W N 1.551 122.550 121.300 -0.502 0.000 2.689 328 W HA 0.607 5.266 4.660 -0.002 0.000 0.340 328 W C 0.211 176.556 176.519 -0.290 0.000 1.060 328 W CA -0.377 56.831 57.345 -0.229 0.000 1.218 328 W CB 1.736 31.206 29.460 0.017 0.000 1.410 328 W HN 0.673 nan 8.180 nan 0.000 0.528 329 K N 2.411 122.874 120.400 0.104 0.000 2.443 329 K HA 0.471 4.790 4.320 -0.002 0.000 0.252 329 K C -0.662 176.036 176.600 0.162 0.000 0.933 329 K CA -0.856 55.467 56.287 0.061 0.000 0.792 329 K CB 1.765 34.265 32.500 0.000 0.000 1.185 329 K HN 0.320 nan 8.250 nan 0.000 0.425 330 I N 3.201 123.874 120.570 0.172 0.000 2.845 330 I HA -0.105 4.064 4.170 -0.002 0.000 0.290 330 I C 0.168 176.383 176.117 0.163 0.000 1.202 330 I CA 0.285 61.712 61.300 0.212 0.000 1.406 330 I CB -0.556 37.567 38.000 0.205 0.000 1.383 330 I HN 0.760 nan 8.210 nan 0.000 0.549 331 N N 6.903 125.710 118.700 0.179 0.000 2.406 331 N HA -0.034 4.705 4.740 -0.002 0.000 0.265 331 N C 1.020 176.604 175.510 0.124 0.000 1.203 331 N CA 0.315 53.457 53.050 0.153 0.000 0.945 331 N CB 0.438 39.047 38.487 0.203 0.000 1.165 331 N HN 0.453 nan 8.380 nan 0.000 0.485 332 K N 3.066 123.510 120.400 0.073 0.000 2.148 332 K HA -0.075 4.243 4.320 -0.002 0.000 0.204 332 K C 1.224 177.829 176.600 0.008 0.000 1.050 332 K CA 1.024 57.334 56.287 0.039 0.000 0.942 332 K CB 0.208 32.718 32.500 0.015 0.000 0.724 332 K HN 0.432 nan 8.250 nan 0.000 0.446 333 K N 0.014 120.379 120.400 -0.059 0.000 2.097 333 K HA -0.077 4.242 4.320 -0.002 0.000 0.205 333 K C 1.878 178.564 176.600 0.143 0.000 1.050 333 K CA 1.019 57.136 56.287 -0.284 0.000 0.938 333 K CB 0.161 32.064 32.500 -0.995 0.000 0.718 333 K HN -0.018 nan 8.250 nan 0.000 0.442 334 V N 1.379 121.519 119.914 0.378 0.000 2.488 334 V HA -0.194 3.925 4.120 -0.002 0.000 0.246 334 V C 2.098 178.333 176.094 0.236 0.000 1.046 334 V CA 1.088 63.627 62.300 0.400 0.000 1.053 334 V CB -0.195 31.821 31.823 0.320 0.000 0.679 334 V HN 0.290 nan 8.190 nan 0.000 0.458 335 L N 0.656 121.966 121.223 0.146 0.000 2.013 335 L HA -0.187 4.152 4.340 -0.002 0.000 0.212 335 L C 2.485 179.412 176.870 0.095 0.000 1.073 335 L CA 2.284 57.173 54.840 0.082 0.000 0.753 335 L CB -0.697 41.391 42.059 0.049 0.000 0.890 335 L HN 0.267 nan 8.230 nan 0.000 0.432 336 A N -0.598 122.280 122.820 0.097 0.000 1.859 336 A HA -0.291 4.028 4.320 -0.002 0.000 0.218 336 A C 2.173 179.853 177.584 0.159 0.000 1.242 336 A CA 3.055 55.151 52.037 0.100 0.000 0.661 336 A CB -1.503 17.542 19.000 0.075 0.000 0.842 336 A HN 0.324 nan 8.150 nan 0.000 0.455 337 V N -0.227 119.821 119.914 0.222 0.000 2.223 337 V HA -0.382 3.737 4.120 -0.002 0.000 0.253 337 V C 3.044 179.346 176.094 0.345 0.000 1.061 337 V CA 2.950 65.428 62.300 0.298 0.000 1.035 337 V CB -1.611 30.376 31.823 0.274 0.000 0.653 337 V HN 0.758 nan 8.190 nan 0.000 0.454 338 A N -0.172 122.880 122.820 0.386 0.000 1.902 338 A HA -0.241 4.078 4.320 -0.002 0.000 0.217 338 A C 1.919 179.612 177.584 0.182 0.000 1.181 338 A CA 2.113 54.363 52.037 0.355 0.000 0.623 338 A CB -0.879 18.200 19.000 0.131 0.000 0.818 338 A HN 0.601 nan 8.150 nan 0.000 0.443 339 N N -0.846 117.924 118.700 0.117 0.000 2.651 339 N HA -0.040 4.699 4.740 -0.002 0.000 0.193 339 N C 1.036 176.586 175.510 0.066 0.000 1.149 339 N CA 1.061 54.144 53.050 0.054 0.000 0.933 339 N CB 0.022 38.526 38.487 0.029 0.000 0.974 339 N HN 0.340 nan 8.380 nan 0.000 0.448 340 V N -0.203 119.796 119.914 0.143 0.000 3.430 340 V HA 0.054 4.173 4.120 -0.002 0.000 0.211 340 V C 2.013 178.257 176.094 0.249 0.000 1.173 340 V CA 0.211 62.610 62.300 0.164 0.000 1.310 340 V CB -0.539 31.421 31.823 0.228 0.000 1.361 340 V HN 0.106 nan 8.190 nan 0.000 0.512 341 I N 1.594 122.373 120.570 0.348 0.000 2.147 341 I HA -0.344 3.825 4.170 -0.002 0.000 0.245 341 I C 2.461 178.778 176.117 0.333 0.000 1.059 341 I CA 2.613 64.146 61.300 0.388 0.000 1.320 341 I CB -1.799 36.432 38.000 0.385 0.000 1.021 341 I HN 0.608 nan 8.210 nan 0.000 0.415 342 T N 0.366 115.076 114.554 0.259 0.000 2.977 342 T HA -0.133 4.216 4.350 -0.002 0.000 0.271 342 T C 1.360 176.127 174.700 0.112 0.000 1.105 342 T CA 1.340 63.550 62.100 0.184 0.000 1.116 342 T CB -0.543 68.394 68.868 0.115 0.000 0.878 342 T HN 0.724 nan 8.240 nan 0.000 0.509 343 K N -1.295 119.127 120.400 0.036 0.000 2.437 343 K HA 0.274 4.593 4.320 -0.002 0.000 0.205 343 K C 0.667 177.162 176.600 -0.174 0.000 1.026 343 K CA -0.527 55.693 56.287 -0.111 0.000 1.153 343 K CB -0.045 32.306 32.500 -0.249 0.000 0.863 343 K HN 0.523 nan 8.250 nan 0.000 0.502 344 W N 1.453 122.813 121.300 0.099 0.000 4.011 344 W HA 0.205 4.864 4.660 -0.002 0.000 0.213 344 W C 0.049 176.622 176.519 0.089 0.000 1.060 344 W CA -0.588 56.808 57.345 0.085 0.000 1.775 344 W CB 0.995 30.500 29.460 0.074 0.000 0.793 344 W HN -0.260 nan 8.180 nan 0.000 0.863 345 K N 1.202 121.808 120.400 0.342 0.000 2.274 345 K HA 0.236 4.555 4.320 -0.002 0.000 0.262 345 K C -0.036 176.726 176.600 0.269 0.000 0.961 345 K CA -0.562 55.858 56.287 0.223 0.000 0.833 345 K CB 1.589 34.191 32.500 0.171 0.000 1.102 345 K HN 0.176 nan 8.250 nan 0.000 0.436 346 H N 0.100 119.233 119.070 0.105 0.000 2.466 346 H HA -0.175 4.380 4.556 -0.002 0.000 0.297 346 H C 0.374 175.755 175.328 0.088 0.000 1.113 346 H CA 0.538 56.635 56.048 0.080 0.000 1.273 346 H CB 0.293 30.090 29.762 0.058 0.000 1.371 346 H HN 0.327 nan 8.280 nan 0.000 0.528 347 C N 0.661 120.095 119.300 0.223 0.000 3.078 347 C HA 0.185 4.644 4.460 -0.002 0.000 0.320 347 C C -1.665 173.437 174.990 0.186 0.000 1.039 347 C CA -1.691 57.439 59.018 0.186 0.000 1.386 347 C CB 0.522 28.350 27.740 0.147 0.000 1.836 347 C HN 0.128 nan 8.230 nan 0.000 0.514 348 P HA -0.150 nan 4.420 nan 0.000 0.220 348 P C 0.652 178.048 177.300 0.160 0.000 1.146 348 P CA 1.601 64.859 63.100 0.263 0.000 0.816 348 P CB 0.181 32.161 31.700 0.467 0.000 0.764 349 V N -2.341 117.661 119.914 0.147 0.000 3.017 349 V HA 0.143 4.262 4.120 -0.002 0.000 0.354 349 V C 1.502 177.614 176.094 0.031 0.000 1.389 349 V CA -0.127 62.202 62.300 0.048 0.000 1.163 349 V CB 0.414 32.270 31.823 0.055 0.000 1.178 349 V HN -0.002 nan 8.190 nan 0.000 0.547 350 E N 1.078 121.305 120.200 0.045 0.000 2.022 350 E HA 0.035 4.384 4.350 -0.002 0.000 0.190 350 E C 0.297 176.897 176.600 -0.001 0.000 0.973 350 E CA 0.906 57.324 56.400 0.029 0.000 0.816 350 E CB 0.250 29.976 29.700 0.044 0.000 0.781 350 E HN 0.411 nan 8.360 nan 0.000 0.456 351 D N 0.456 120.850 120.400 -0.011 0.000 2.464 351 D HA 0.275 4.914 4.640 -0.002 0.000 0.243 351 D C -1.025 175.249 176.300 -0.043 0.000 1.104 351 D CA -0.334 53.649 54.000 -0.027 0.000 0.883 351 D CB 0.447 41.231 40.800 -0.027 0.000 1.050 351 D HN -0.060 nan 8.370 nan 0.000 0.524 352 I N 3.607 124.143 120.570 -0.056 0.000 2.355 352 I HA 0.221 4.390 4.170 -0.002 0.000 0.288 352 I C -1.860 174.217 176.117 -0.067 0.000 0.999 352 I CA -2.021 59.233 61.300 -0.077 0.000 1.163 352 I CB 1.165 39.096 38.000 -0.115 0.000 1.316 352 I HN 0.012 nan 8.210 nan 0.000 0.454 353 P HA 0.051 nan 4.420 nan 0.000 0.212 353 P C -0.543 176.728 177.300 -0.048 0.000 1.069 353 P CA 0.322 63.390 63.100 -0.053 0.000 1.331 353 P CB -0.319 31.346 31.700 -0.058 0.000 1.513 354 A N 2.883 125.679 122.820 -0.040 0.000 2.337 354 A HA 0.725 5.044 4.320 -0.002 0.000 0.331 354 A C 0.155 177.725 177.584 -0.024 0.000 1.137 354 A CA -0.813 51.205 52.037 -0.031 0.000 0.807 354 A CB 1.054 20.036 19.000 -0.029 0.000 1.250 354 A HN 0.308 nan 8.150 nan 0.000 0.468 373 A N 2.207 124.757 122.820 -0.451 0.000 2.106 373 A HA 0.165 4.484 4.320 -0.002 0.000 0.218 373 A C 1.538 178.462 177.584 -1.100 0.000 1.718 373 A CA 0.197 51.802 52.037 -0.720 0.000 0.768 373 A CB -0.258 18.872 19.000 0.217 0.000 1.321 373 A HN 0.353 nan 8.150 nan 0.000 0.567 374 L N 0.984 122.012 121.223 -0.324 0.000 2.042 374 L HA -0.111 4.228 4.340 -0.002 0.000 0.210 374 L C 2.545 179.282 176.870 -0.220 0.000 1.076 374 L CA 2.356 57.107 54.840 -0.148 0.000 0.749 374 L CB -0.900 41.147 42.059 -0.020 0.000 0.893 374 L HN 0.607 nan 8.230 nan 0.000 0.432 375 T N -3.570 110.837 114.554 -0.244 0.000 3.434 375 T HA 0.372 4.721 4.350 -0.002 0.000 0.249 375 T C 0.963 175.507 174.700 -0.259 0.000 1.050 375 T CA 0.537 62.525 62.100 -0.187 0.000 0.952 375 T CB -0.022 68.766 68.868 -0.133 0.000 1.046 375 T HN 0.266 nan 8.240 nan 0.000 0.590 376 A N -0.402 122.152 122.820 -0.442 0.000 1.895 376 A HA 0.403 4.722 4.320 -0.002 0.000 0.198 376 A C 1.528 178.967 177.584 -0.241 0.000 1.709 376 A CA -0.394 51.358 52.037 -0.474 0.000 1.194 376 A CB -0.495 17.980 19.000 -0.874 0.000 1.260 376 A HN 0.621 nan 8.150 nan 0.000 0.441 377 W N 0.601 121.907 121.300 0.009 0.000 2.480 377 W HA 0.127 4.786 4.660 -0.002 0.000 0.299 377 W C 1.896 178.420 176.519 0.008 0.000 1.187 377 W CA 0.888 58.238 57.345 0.009 0.000 1.347 377 W CB -0.046 29.417 29.460 0.005 0.000 1.121 377 W HN 0.024 nan 8.180 nan 0.000 0.533 378 K N 1.099 121.602 120.400 0.172 0.000 2.209 378 K HA -0.143 4.176 4.320 -0.002 0.000 0.204 378 K C 1.851 178.485 176.600 0.057 0.000 1.048 378 K CA 1.282 57.625 56.287 0.093 0.000 0.940 378 K CB -0.394 32.133 32.500 0.045 0.000 0.729 378 K HN 0.069 nan 8.250 nan 0.000 0.451 379 R N 0.215 120.732 120.500 0.029 0.000 2.080 379 R HA -0.134 4.205 4.340 -0.002 0.000 0.236 379 R C 2.002 178.334 176.300 0.054 0.000 1.137 379 R CA 1.907 58.017 56.100 0.018 0.000 0.943 379 R CB -0.550 29.737 30.300 -0.021 0.000 0.846 379 R HN 0.118 nan 8.270 nan 0.000 0.431 380 A N 0.572 123.445 122.820 0.089 0.000 1.972 380 A HA -0.011 4.307 4.320 -0.002 0.000 0.219 380 A C 2.417 180.057 177.584 0.094 0.000 1.169 380 A CA 1.538 53.634 52.037 0.098 0.000 0.635 380 A CB -0.839 18.241 19.000 0.132 0.000 0.810 380 A HN 0.619 nan 8.150 nan 0.000 0.446 381 A N 0.131 123.011 122.820 0.100 0.000 1.858 381 A HA 0.128 4.447 4.320 -0.002 0.000 0.216 381 A C 2.550 180.188 177.584 0.090 0.000 1.190 381 A CA 2.234 54.324 52.037 0.089 0.000 0.617 381 A CB -1.215 17.833 19.000 0.080 0.000 0.827 381 A HN 1.116 nan 8.150 nan 0.000 0.443 382 A N -0.157 122.707 122.820 0.073 0.000 1.917 382 A HA 0.062 4.381 4.320 -0.002 0.000 0.219 382 A C 2.493 180.146 177.584 0.115 0.000 1.182 382 A CA 2.427 54.513 52.037 0.082 0.000 0.633 382 A CB -1.075 17.954 19.000 0.049 0.000 0.819 382 A HN 1.191 nan 8.150 nan 0.000 0.448 383 A N -0.753 122.118 122.820 0.086 0.000 1.972 383 A HA 0.036 4.355 4.320 -0.002 0.000 0.219 383 A C 2.107 179.741 177.584 0.082 0.000 1.169 383 A CA 1.680 53.762 52.037 0.074 0.000 0.635 383 A CB -0.720 18.316 19.000 0.059 0.000 0.810 383 A HN 0.444 nan 8.150 nan 0.000 0.446 384 V N -1.869 118.104 119.914 0.099 0.000 2.809 384 V HA -0.207 3.912 4.120 -0.002 0.000 0.256 384 V C 2.149 178.318 176.094 0.126 0.000 1.080 384 V CA 1.744 64.102 62.300 0.096 0.000 1.102 384 V CB -0.940 30.942 31.823 0.098 0.000 0.705 384 V HN 0.740 nan 8.190 nan 0.000 0.475 385 Y N 0.884 121.195 120.300 0.018 0.000 2.301 385 Y HA -0.046 4.503 4.550 -0.002 0.000 0.295 385 Y C 2.755 178.663 175.900 0.014 0.000 1.119 385 Y CA 1.562 59.671 58.100 0.014 0.000 1.162 385 Y CB 0.082 38.546 38.460 0.006 0.000 1.046 385 Y HN 0.057 nan 8.280 nan 0.000 0.538 386 R N 1.008 121.556 120.500 0.081 0.000 2.073 386 R HA -0.182 4.157 4.340 -0.002 0.000 0.234 386 R C 2.387 178.654 176.300 -0.056 0.000 1.134 386 R CA 1.838 57.937 56.100 -0.003 0.000 0.952 386 R CB -0.281 30.053 30.300 0.057 0.000 0.850 386 R HN 0.156 nan 8.270 nan 0.000 0.433 387 K N 0.098 120.485 120.400 -0.022 0.000 2.211 387 K HA -0.194 4.125 4.320 -0.002 0.000 0.204 387 K C 1.431 178.003 176.600 -0.048 0.000 1.047 387 K CA 1.724 57.999 56.287 -0.019 0.000 0.935 387 K CB -0.130 32.373 32.500 0.006 0.000 0.728 387 K HN 0.303 nan 8.250 nan 0.000 0.452 388 D N 0.632 120.972 120.400 -0.100 0.000 2.123 388 D HA -0.120 4.519 4.640 -0.002 0.000 0.200 388 D C 1.750 177.960 176.300 -0.150 0.000 0.976 388 D CA 0.987 54.917 54.000 -0.118 0.000 0.831 388 D CB 0.252 40.955 40.800 -0.162 0.000 0.974 388 D HN 0.131 nan 8.370 nan 0.000 0.469 389 K N 0.273 120.526 120.400 -0.245 0.000 2.148 389 K HA -0.081 4.238 4.320 -0.002 0.000 0.204 389 K C 1.971 178.514 176.600 -0.095 0.000 1.050 389 K CA 0.901 57.070 56.287 -0.196 0.000 0.942 389 K CB 0.065 32.420 32.500 -0.242 0.000 0.724 389 K HN 0.014 nan 8.250 nan 0.000 0.446 390 A N 1.361 124.137 122.820 -0.073 0.000 1.825 390 A HA -0.191 4.128 4.320 -0.002 0.000 0.214 390 A C 2.017 179.592 177.584 -0.015 0.000 1.206 390 A CA 1.586 53.604 52.037 -0.031 0.000 0.609 390 A CB -0.721 18.269 19.000 -0.017 0.000 0.851 390 A HN 0.331 nan 8.150 nan 0.000 0.445 391 R N -0.285 120.212 120.500 -0.005 0.000 2.226 391 R HA -0.181 4.158 4.340 -0.002 0.000 0.246 391 R C 1.979 178.290 176.300 0.018 0.000 1.161 391 R CA 1.987 58.102 56.100 0.024 0.000 0.997 391 R CB -0.187 30.139 30.300 0.043 0.000 0.870 391 R HN 0.534 nan 8.270 nan 0.000 0.465 392 K N -0.484 119.906 120.400 -0.015 0.000 2.323 392 K HA -0.013 4.306 4.320 -0.002 0.000 0.197 392 K C 1.918 178.500 176.600 -0.031 0.000 1.043 392 K CA 0.911 57.179 56.287 -0.031 0.000 0.997 392 K CB 0.249 32.719 32.500 -0.049 0.000 0.807 392 K HN 0.216 nan 8.250 nan 0.000 0.497 393 S N 0.139 115.824 115.700 -0.025 0.000 2.406 393 S HA -0.058 4.411 4.470 -0.002 0.000 0.224 393 S C 1.849 176.446 174.600 -0.006 0.000 1.030 393 S CA 0.393 58.581 58.200 -0.020 0.000 0.958 393 S CB -0.078 63.110 63.200 -0.020 0.000 0.811 393 S HN 0.213 nan 8.310 nan 0.000 0.489 394 R N 0.258 120.761 120.500 0.005 0.000 2.328 394 R HA 0.144 4.483 4.340 -0.002 0.000 0.207 394 R C 2.286 178.603 176.300 0.028 0.000 1.056 394 R CA 0.693 56.807 56.100 0.022 0.000 1.016 394 R CB -0.046 30.274 30.300 0.034 0.000 0.872 394 R HN 0.343 nan 8.270 nan 0.000 0.471 395 R N 0.187 120.694 120.500 0.012 0.000 2.074 395 R HA 0.062 4.401 4.340 -0.002 0.000 0.218 395 R C 1.778 178.083 176.300 0.008 0.000 1.137 395 R CA 0.864 56.967 56.100 0.005 0.000 0.998 395 R CB -0.329 29.948 30.300 -0.037 0.000 0.895 395 R HN 0.012 nan 8.270 nan 0.000 0.442 396 I N 1.103 121.673 120.570 -0.000 0.000 2.145 396 I HA -0.338 3.831 4.170 -0.002 0.000 0.244 396 I C 2.287 178.433 176.117 0.048 0.000 1.075 396 I CA 2.040 63.349 61.300 0.014 0.000 1.332 396 I CB -1.526 36.471 38.000 -0.004 0.000 1.033 396 I HN 0.337 nan 8.210 nan 0.000 0.410 397 S N 0.814 116.535 115.700 0.035 0.000 2.354 397 S HA -0.232 4.236 4.470 -0.002 0.000 0.219 397 S C 2.251 176.904 174.600 0.089 0.000 1.035 397 S CA 1.778 60.012 58.200 0.056 0.000 1.037 397 S CB -0.732 62.488 63.200 0.035 0.000 0.956 397 S HN 0.387 nan 8.310 nan 0.000 0.428 398 L N 1.629 122.883 121.223 0.052 0.000 1.978 398 L HA -0.194 4.145 4.340 -0.002 0.000 0.218 398 L C 2.822 179.700 176.870 0.013 0.000 1.075 398 L CA 2.395 57.251 54.840 0.028 0.000 0.767 398 L CB -0.650 41.425 42.059 0.026 0.000 0.890 398 L HN 0.477 nan 8.230 nan 0.000 0.434 399 E N -1.104 119.107 120.200 0.018 0.000 2.187 399 E HA -0.304 4.045 4.350 -0.002 0.000 0.199 399 E C 1.976 178.557 176.600 -0.031 0.000 1.004 399 E CA 1.794 58.186 56.400 -0.013 0.000 0.813 399 E CB -0.262 29.435 29.700 -0.005 0.000 0.736 399 E HN 0.540 nan 8.360 nan 0.000 0.468 400 F N 0.706 120.607 119.950 -0.081 0.000 2.187 400 F HA -0.142 4.384 4.527 -0.002 0.000 0.295 400 F C 2.247 177.959 175.800 -0.148 0.000 1.091 400 F CA 0.859 58.807 58.000 -0.087 0.000 1.308 400 F CB 0.052 39.028 39.000 -0.040 0.000 1.030 400 F HN -0.081 nan 8.300 nan 0.000 0.487 401 M N 0.075 119.696 119.600 0.034 0.000 2.080 401 M HA -0.216 4.263 4.480 -0.002 0.000 0.260 401 M C 2.312 178.323 176.300 -0.483 0.000 1.068 401 M CA 1.516 56.704 55.300 -0.187 0.000 1.109 401 M CB -1.610 30.971 32.600 -0.032 0.000 1.342 401 M HN 0.219 nan 8.290 nan 0.000 0.405 402 L N -0.262 120.778 121.223 -0.306 0.000 1.932 402 L HA -0.236 4.102 4.340 -0.002 0.000 0.217 402 L C 2.642 179.293 176.870 -0.365 0.000 1.077 402 L CA 1.651 56.312 54.840 -0.298 0.000 0.765 402 L CB -0.841 41.105 42.059 -0.188 0.000 0.888 402 L HN 0.347 nan 8.230 nan 0.000 0.433 403 E N 0.069 120.066 120.200 -0.339 0.000 2.172 403 E HA -0.367 3.982 4.350 -0.002 0.000 0.213 403 E C 1.957 178.274 176.600 -0.472 0.000 1.051 403 E CA 2.338 58.516 56.400 -0.369 0.000 0.860 403 E CB -0.115 29.351 29.700 -0.389 0.000 0.755 403 E HN 0.371 nan 8.360 nan 0.000 0.462 404 Q N 0.141 119.556 119.800 -0.642 0.000 1.889 404 Q HA -0.043 4.296 4.340 -0.002 0.000 0.211 404 Q C 2.188 177.857 176.000 -0.551 0.000 0.988 404 Q CA 2.580 57.999 55.803 -0.640 0.000 0.861 404 Q CB -1.095 27.197 28.738 -0.745 0.000 0.922 404 Q HN 0.345 nan 8.270 nan 0.000 0.425 405 A N 0.740 123.051 122.820 -0.848 0.000 2.067 405 A HA -0.305 4.014 4.320 -0.002 0.000 0.224 405 A C 1.934 179.433 177.584 -0.142 0.000 1.172 405 A CA 2.080 53.881 52.037 -0.394 0.000 0.662 405 A CB -0.856 17.932 19.000 -0.353 0.000 0.814 405 A HN 0.457 nan 8.150 nan 0.000 0.468 406 N N -0.443 118.116 118.700 -0.235 0.000 2.092 406 N HA -0.118 4.621 4.740 -0.002 0.000 0.189 406 N C 1.745 177.139 175.510 -0.192 0.000 1.040 406 N CA 1.511 54.459 53.050 -0.171 0.000 0.845 406 N CB -0.407 37.965 38.487 -0.191 0.000 1.017 406 N HN 0.652 nan 8.380 nan 0.000 0.426 407 K N -0.146 120.045 120.400 -0.348 0.000 2.107 407 K HA -0.151 4.168 4.320 -0.002 0.000 0.211 407 K C 0.132 176.456 176.600 -0.459 0.000 1.049 407 K CA 1.320 57.312 56.287 -0.491 0.000 0.927 407 K CB -0.153 31.855 32.500 -0.819 0.000 0.714 407 K HN 0.094 nan 8.250 nan 0.000 0.452 408 F N -0.310 119.628 119.950 -0.021 0.000 2.916 408 F HA 0.320 4.846 4.527 -0.002 0.000 0.294 408 F C 1.097 176.944 175.800 0.078 0.000 1.189 408 F CA -0.301 57.682 58.000 -0.028 0.000 1.369 408 F CB 0.413 39.354 39.000 -0.099 0.000 0.961 408 F HN 0.016 nan 8.300 nan 0.000 0.508 409 A N -0.297 122.628 122.820 0.174 0.000 2.081 409 A HA 0.038 4.357 4.320 -0.002 0.000 0.214 409 A C 1.602 179.271 177.584 0.141 0.000 1.158 409 A CA 0.658 52.775 52.037 0.134 0.000 0.724 409 A CB -0.333 18.698 19.000 0.050 0.000 0.826 409 A HN 0.467 nan 8.150 nan 0.000 0.463 410 N N -0.754 118.057 118.700 0.185 0.000 2.214 410 N HA 0.102 4.841 4.740 -0.002 0.000 0.214 410 N C -0.879 174.682 175.510 0.085 0.000 1.132 410 N CA -0.201 52.907 53.050 0.098 0.000 0.856 410 N CB 0.296 38.787 38.487 0.007 0.000 1.020 410 N HN 0.449 nan 8.380 nan 0.000 0.509 411 H N -0.100 119.005 119.070 0.058 0.000 2.467 411 H HA 0.210 4.765 4.556 -0.002 0.000 0.331 411 H C 0.685 176.011 175.328 -0.003 0.000 1.120 411 H CA -0.299 55.770 56.048 0.035 0.000 1.270 411 H CB 1.303 31.095 29.762 0.050 0.000 1.466 411 H HN -0.169 nan 8.280 nan 0.000 0.504 412 K N 1.286 121.742 120.400 0.093 0.000 2.280 412 K HA 0.177 4.496 4.320 -0.002 0.000 0.202 412 K C 0.076 176.648 176.600 -0.046 0.000 1.047 412 K CA 1.097 57.399 56.287 0.026 0.000 0.942 412 K CB 0.480 32.995 32.500 0.025 0.000 0.739 412 K HN 0.611 nan 8.250 nan 0.000 0.457 413 A N 0.229 122.981 122.820 -0.114 0.000 2.599 413 A HA 0.625 4.944 4.320 -0.002 0.000 0.294 413 A C -1.529 175.686 177.584 -0.616 0.000 1.055 413 A CA -1.055 50.749 52.037 -0.387 0.000 0.683 413 A CB 0.815 19.498 19.000 -0.527 0.000 1.278 413 A HN 0.179 nan 8.150 nan 0.000 0.412 414 I N -2.722 117.364 120.570 -0.807 0.000 2.894 414 I HA 0.874 5.043 4.170 -0.002 0.000 0.302 414 I C -1.171 174.373 176.117 -0.955 0.000 1.188 414 I CA -0.925 59.885 61.300 -0.818 0.000 1.014 414 I CB 2.081 39.687 38.000 -0.656 0.000 1.242 414 I HN 0.687 nan 8.210 nan 0.000 0.430 415 W N 2.185 123.254 121.300 -0.385 0.000 2.902 415 W HA 0.620 5.279 4.660 -0.002 0.000 0.346 415 W C -1.686 174.468 176.519 -0.609 0.000 1.139 415 W CA -0.631 56.552 57.345 -0.269 0.000 1.139 415 W CB 1.985 31.448 29.460 0.004 0.000 1.439 415 W HN 0.316 nan 8.180 nan 0.000 0.558 416 F N 1.493 121.611 119.950 0.280 0.000 2.529 416 F HA 0.420 4.946 4.527 -0.002 0.000 0.320 416 F C -2.015 173.690 175.800 -0.158 0.000 1.118 416 F CA -2.630 55.336 58.000 -0.057 0.000 0.915 416 F CB 1.330 40.114 39.000 -0.360 0.000 1.161 416 F HN -0.270 nan 8.300 nan 0.000 0.445 417 P HA 0.167 nan 4.420 nan 0.000 0.277 417 P C -1.515 175.569 177.300 -0.360 0.000 1.240 417 P CA -0.230 62.771 63.100 -0.165 0.000 0.798 417 P CB 0.794 32.169 31.700 -0.542 0.000 0.979 418 Y N 0.357 120.750 120.300 0.155 0.000 2.326 418 Y HA 0.303 4.852 4.550 -0.002 0.000 0.329 418 Y C 1.147 176.999 175.900 -0.079 0.000 0.973 418 Y CA -0.341 57.788 58.100 0.048 0.000 1.162 418 Y CB 1.193 39.657 38.460 0.007 0.000 1.147 418 Y HN 0.309 nan 8.280 nan 0.000 0.456 419 N N 2.258 120.976 118.700 0.029 0.000 2.471 419 N HA 0.600 5.339 4.740 -0.002 0.000 0.290 419 N C -0.872 174.540 175.510 -0.164 0.000 1.345 419 N CA -0.534 52.438 53.050 -0.130 0.000 0.920 419 N CB 0.634 39.086 38.487 -0.059 0.000 1.093 419 N HN 0.424 nan 8.380 nan 0.000 0.499 420 M N 0.242 119.724 119.600 -0.196 0.000 2.660 420 M HA 0.073 4.552 4.480 -0.002 0.000 0.281 420 M C -2.276 173.836 176.300 -0.313 0.000 1.131 420 M CA -0.750 54.413 55.300 -0.229 0.000 0.858 420 M CB 2.315 34.748 32.600 -0.279 0.000 1.732 420 M HN 0.559 nan 8.290 nan 0.000 0.516 421 D N 0.048 120.204 120.400 -0.406 0.000 2.217 421 D HA 0.243 4.882 4.640 -0.002 0.000 0.248 421 D C 0.687 176.817 176.300 -0.284 0.000 1.008 421 D CA -0.604 53.139 54.000 -0.428 0.000 0.914 421 D CB 0.453 40.879 40.800 -0.622 0.000 1.182 421 D HN 0.755 nan 8.370 nan 0.000 0.451 422 W N 1.925 123.126 121.300 -0.165 0.000 2.374 422 W HA -0.224 4.435 4.660 -0.001 0.000 0.268 422 W C 0.513 176.977 176.519 -0.091 0.000 1.199 422 W CA 0.767 58.085 57.345 -0.045 0.000 1.154 422 W CB -0.609 28.859 29.460 0.014 0.000 1.135 422 W HN 0.369 nan 8.180 nan 0.000 0.580 423 R N 0.379 120.590 120.500 -0.482 0.000 2.334 423 R HA 0.397 4.736 4.340 -0.002 0.000 0.212 423 R C 1.614 177.595 176.300 -0.532 0.000 0.897 423 R CA 0.599 56.471 56.100 -0.379 0.000 1.056 423 R CB -0.033 30.022 30.300 -0.408 0.000 1.046 423 R HN 0.170 nan 8.270 nan 0.000 0.513 424 G N 1.163 109.531 108.800 -0.722 0.000 2.135 424 G HA2 -0.260 3.699 3.960 -0.002 0.000 0.183 424 G HA3 -0.260 3.699 3.960 -0.002 0.000 0.183 424 G C -0.217 174.349 174.900 -0.558 0.000 1.004 424 G CA -0.487 43.966 45.100 -1.079 0.000 0.677 424 G HN 0.187 nan 8.290 nan 0.000 0.512 425 R N -0.549 119.769 120.500 -0.304 0.000 2.532 425 R HA 0.636 4.975 4.340 -0.002 0.000 0.272 425 R C 0.602 176.973 176.300 0.117 0.000 1.032 425 R CA -0.337 55.725 56.100 -0.064 0.000 1.089 425 R CB 1.166 31.513 30.300 0.080 0.000 1.098 425 R HN 0.118 nan 8.270 nan 0.000 0.526 426 V N 3.856 123.825 119.914 0.092 0.000 2.498 426 V HA 0.290 4.409 4.120 -0.002 0.000 0.279 426 V C -0.785 175.418 176.094 0.182 0.000 1.048 426 V CA -0.184 62.187 62.300 0.119 0.000 0.967 426 V CB 0.578 32.366 31.823 -0.058 0.000 0.988 426 V HN 0.569 nan 8.190 nan 0.000 0.473 427 Y N 1.625 121.971 120.300 0.078 0.000 2.545 427 Y HA 0.735 5.284 4.550 -0.002 0.000 0.348 427 Y C 0.357 176.251 175.900 -0.009 0.000 1.002 427 Y CA -0.872 57.254 58.100 0.044 0.000 1.039 427 Y CB 1.986 40.447 38.460 0.001 0.000 1.271 427 Y HN 0.736 nan 8.280 nan 0.000 0.467 428 A N 1.094 123.861 122.820 -0.088 0.000 2.293 428 A HA 0.563 4.882 4.320 -0.002 0.000 0.302 428 A C 0.388 177.856 177.584 -0.193 0.000 1.119 428 A CA -0.420 51.344 52.037 -0.454 0.000 0.823 428 A CB 0.462 19.109 19.000 -0.588 0.000 1.097 428 A HN 0.679 nan 8.150 nan 0.000 0.491 429 V N 1.446 121.229 119.914 -0.219 0.000 2.599 429 V HA -0.043 4.076 4.120 -0.002 0.000 0.245 429 V C 1.420 177.618 176.094 0.173 0.000 1.046 429 V CA 1.464 63.737 62.300 -0.046 0.000 1.065 429 V CB -0.935 30.723 31.823 -0.275 0.000 0.703 429 V HN 0.922 nan 8.190 nan 0.000 0.464 430 S N 0.857 116.660 115.700 0.171 0.000 2.562 430 S HA 0.190 4.659 4.470 -0.002 0.000 0.281 430 S C 1.098 175.850 174.600 0.253 0.000 1.333 430 S CA -0.282 58.118 58.200 0.334 0.000 1.052 430 S CB 0.795 64.217 63.200 0.369 0.000 0.884 430 S HN 0.264 nan 8.310 nan 0.000 0.506 431 M N 1.167 120.961 119.600 0.324 0.000 2.180 431 M HA -0.066 4.413 4.480 -0.002 0.000 0.260 431 M C 0.999 177.478 176.300 0.298 0.000 1.071 431 M CA 1.543 56.990 55.300 0.244 0.000 1.096 431 M CB -0.763 31.975 32.600 0.230 0.000 1.276 431 M HN 0.761 nan 8.290 nan 0.000 0.426 432 F N 3.388 123.510 119.950 0.287 0.000 2.529 432 F HA 0.246 4.772 4.527 -0.002 0.000 0.365 432 F C 0.078 175.895 175.800 0.027 0.000 1.102 432 F CA -0.710 57.411 58.000 0.201 0.000 1.271 432 F CB 0.037 39.203 39.000 0.277 0.000 1.120 432 F HN 0.413 nan 8.300 nan 0.000 0.579 433 N N 3.945 122.289 118.700 -0.592 0.000 3.355 433 N HA 0.338 5.077 4.740 -0.002 0.000 0.238 433 N C -2.958 171.938 175.510 -1.024 0.000 1.466 433 N CA -1.540 50.872 53.050 -1.063 0.000 0.882 433 N CB 0.878 38.885 38.487 -0.800 0.000 1.406 433 N HN 0.101 nan 8.380 nan 0.000 0.500 434 P HA -0.107 nan 4.420 nan 0.000 0.223 434 P C -0.171 176.788 177.300 -0.569 0.000 1.144 434 P CA 1.434 63.890 63.100 -1.073 0.000 0.783 434 P CB 0.069 30.945 31.700 -1.373 0.000 0.771 435 Q N -1.308 118.196 119.800 -0.494 0.000 2.175 435 Q HA 0.330 4.669 4.340 -0.002 0.000 0.225 435 Q C 0.995 176.846 176.000 -0.248 0.000 0.837 435 Q CA -0.341 55.248 55.803 -0.357 0.000 1.032 435 Q CB 0.526 29.013 28.738 -0.419 0.000 1.137 435 Q HN 0.066 nan 8.270 nan 0.000 0.483 436 G N 1.959 110.632 108.800 -0.212 0.000 2.489 436 G HA2 0.053 4.012 3.960 -0.002 0.000 0.271 436 G HA3 0.053 4.012 3.960 -0.002 0.000 0.271 436 G C 0.074 174.943 174.900 -0.052 0.000 1.427 436 G CA -0.616 44.427 45.100 -0.095 0.000 1.057 436 G HN 0.458 nan 8.290 nan 0.000 0.532 437 N N -1.255 117.445 118.700 -0.000 0.000 2.285 437 N HA 0.016 4.755 4.740 -0.002 0.000 0.262 437 N C 0.618 176.152 175.510 0.041 0.000 1.299 437 N CA 0.228 53.291 53.050 0.021 0.000 0.930 437 N CB 0.670 39.182 38.487 0.041 0.000 1.157 437 N HN 0.390 nan 8.380 nan 0.000 0.532 438 D N -0.404 120.038 120.400 0.071 0.000 2.149 438 D HA -0.206 4.433 4.640 -0.002 0.000 0.198 438 D C 1.859 178.253 176.300 0.156 0.000 0.990 438 D CA 1.366 55.435 54.000 0.114 0.000 0.839 438 D CB 0.032 40.919 40.800 0.146 0.000 0.948 438 D HN 0.556 nan 8.370 nan 0.000 0.460 439 M N -0.647 119.024 119.600 0.119 0.000 2.160 439 M HA -0.124 4.355 4.480 -0.002 0.000 0.264 439 M C 1.823 178.101 176.300 -0.036 0.000 1.073 439 M CA 1.391 56.670 55.300 -0.035 0.000 1.142 439 M CB -0.172 32.273 32.600 -0.257 0.000 1.358 439 M HN 0.002 nan 8.290 nan 0.000 0.422 440 T N 0.595 115.168 114.554 0.031 0.000 2.746 440 T HA -0.170 4.179 4.350 -0.002 0.000 0.267 440 T C 1.684 176.439 174.700 0.092 0.000 1.039 440 T CA 1.198 63.376 62.100 0.130 0.000 1.142 440 T CB -0.301 68.671 68.868 0.173 0.000 0.866 440 T HN 0.378 nan 8.240 nan 0.000 0.444 441 K N 0.519 120.945 120.400 0.043 0.000 2.520 441 K HA -0.055 4.264 4.320 -0.002 0.000 0.197 441 K C 2.162 178.826 176.600 0.107 0.000 1.043 441 K CA 0.758 57.067 56.287 0.037 0.000 0.944 441 K CB -0.228 32.291 32.500 0.033 0.000 0.770 441 K HN 0.452 nan 8.250 nan 0.000 0.480 442 G N 0.351 109.227 108.800 0.127 0.000 2.570 442 G HA2 -0.072 3.887 3.960 -0.002 0.000 0.209 442 G HA3 -0.072 3.887 3.960 -0.002 0.000 0.209 442 G C 1.119 176.121 174.900 0.169 0.000 1.168 442 G CA -0.332 44.867 45.100 0.165 0.000 0.831 442 G HN 0.122 nan 8.290 nan 0.000 0.564 443 L N 0.383 121.692 121.223 0.144 0.000 2.814 443 L HA 0.161 4.500 4.340 -0.002 0.000 0.248 443 L C -0.174 176.861 176.870 0.275 0.000 1.169 443 L CA 0.455 55.407 54.840 0.187 0.000 0.872 443 L CB -0.900 41.257 42.059 0.163 0.000 1.029 443 L HN 0.105 nan 8.230 nan 0.000 0.452 444 L N -1.336 120.036 121.223 0.248 0.000 2.455 444 L HA 0.520 4.859 4.340 -0.002 0.000 0.264 444 L C -0.277 176.819 176.870 0.376 0.000 0.968 444 L CA 0.038 55.061 54.840 0.305 0.000 0.827 444 L CB 2.415 44.572 42.059 0.163 0.000 1.317 444 L HN -0.287 nan 8.230 nan 0.000 0.407 445 T N 2.747 117.531 114.554 0.383 0.000 3.041 445 T HA 0.545 4.894 4.350 -0.002 0.000 0.321 445 T C -0.689 174.023 174.700 0.021 0.000 1.184 445 T CA -0.572 61.652 62.100 0.207 0.000 1.050 445 T CB 0.866 69.805 68.868 0.118 0.000 1.159 445 T HN 0.393 nan 8.240 nan 0.000 0.469 446 L N 3.257 124.277 121.223 -0.338 0.000 2.605 446 L HA 0.093 4.432 4.340 -0.002 0.000 0.296 446 L C 1.865 178.571 176.870 -0.274 0.000 1.255 446 L CA 0.072 54.583 54.840 -0.548 0.000 0.879 446 L CB 0.094 41.821 42.059 -0.554 0.000 1.124 446 L HN 0.874 nan 8.230 nan 0.000 0.507 447 A N 2.986 125.640 122.820 -0.278 0.000 2.021 447 A HA -0.010 4.309 4.320 -0.002 0.000 0.216 447 A C 0.725 178.231 177.584 -0.130 0.000 1.163 447 A CA 0.670 52.597 52.037 -0.182 0.000 0.676 447 A CB -0.168 18.687 19.000 -0.242 0.000 0.818 447 A HN 0.751 nan 8.150 nan 0.000 0.453 448 K N 0.313 120.631 120.400 -0.137 0.000 2.316 448 K HA 0.597 4.916 4.320 -0.002 0.000 0.267 448 K C 0.094 176.623 176.600 -0.118 0.000 1.025 448 K CA 0.171 56.404 56.287 -0.091 0.000 0.896 448 K CB 1.435 33.905 32.500 -0.051 0.000 1.124 448 K HN 0.140 nan 8.250 nan 0.000 0.451 449 G N 1.850 110.586 108.800 -0.107 0.000 2.537 449 G HA2 0.613 4.572 3.960 -0.002 0.000 0.323 449 G HA3 0.613 4.572 3.960 -0.002 0.000 0.323 449 G C -1.104 173.734 174.900 -0.103 0.000 1.207 449 G CA -0.694 44.330 45.100 -0.127 0.000 0.976 449 G HN 0.462 nan 8.290 nan 0.000 0.487 450 K N -0.528 119.808 120.400 -0.106 0.000 2.439 450 K HA 0.489 4.808 4.320 -0.002 0.000 0.260 450 K C -2.787 173.771 176.600 -0.071 0.000 1.032 450 K CA -1.844 54.400 56.287 -0.071 0.000 0.882 450 K CB 2.806 35.276 32.500 -0.051 0.000 1.420 450 K HN 0.150 nan 8.250 nan 0.000 0.455 451 P HA 0.060 nan 4.420 nan 0.000 0.270 451 P C 0.405 177.718 177.300 0.021 0.000 1.242 451 P CA 0.044 63.143 63.100 -0.003 0.000 0.768 451 P CB 0.404 32.121 31.700 0.027 0.000 0.820 452 I N 4.399 124.989 120.570 0.033 0.000 2.151 452 I HA -0.269 3.900 4.170 -0.002 0.000 0.236 452 I C 0.910 177.097 176.117 0.116 0.000 1.000 452 I CA 2.858 64.215 61.300 0.096 0.000 1.285 452 I CB -1.014 37.096 38.000 0.183 0.000 0.994 452 I HN 0.689 nan 8.210 nan 0.000 0.396 453 G N -0.837 108.031 108.800 0.113 0.000 2.767 453 G HA2 -0.272 3.687 3.960 -0.002 0.000 0.686 453 G HA3 -0.272 3.687 3.960 -0.002 0.000 0.686 453 G C 0.437 175.419 174.900 0.137 0.000 1.213 453 G CA 0.064 45.221 45.100 0.095 0.000 0.803 453 G HN 0.903 nan 8.290 nan 0.000 0.603 454 K N 0.884 121.342 120.400 0.096 0.000 2.032 454 K HA -0.267 4.052 4.320 -0.002 0.000 0.218 454 K C 1.887 178.603 176.600 0.193 0.000 1.054 454 K CA 2.273 58.631 56.287 0.118 0.000 0.941 454 K CB -0.235 32.298 32.500 0.055 0.000 0.720 454 K HN 0.477 nan 8.250 nan 0.000 0.449 455 E N 0.890 121.166 120.200 0.127 0.000 2.049 455 E HA -0.130 4.219 4.350 -0.002 0.000 0.198 455 E C 2.266 179.041 176.600 0.292 0.000 1.007 455 E CA 1.978 58.455 56.400 0.129 0.000 0.809 455 E CB -0.990 28.758 29.700 0.080 0.000 0.749 455 E HN 0.504 nan 8.360 nan 0.000 0.450 456 G N -0.554 108.405 108.800 0.266 0.000 2.513 456 G HA2 -0.359 3.600 3.960 -0.002 0.000 0.219 456 G HA3 -0.359 3.600 3.960 -0.002 0.000 0.219 456 G C 1.667 176.785 174.900 0.363 0.000 1.160 456 G CA 1.285 46.562 45.100 0.295 0.000 0.767 456 G HN 0.449 nan 8.290 nan 0.000 0.571 457 Y N 0.217 120.640 120.300 0.204 0.000 2.145 457 Y HA -0.205 4.344 4.550 -0.002 0.000 0.286 457 Y C 2.492 178.511 175.900 0.197 0.000 1.145 457 Y CA 1.729 59.947 58.100 0.197 0.000 1.148 457 Y CB -0.611 37.953 38.460 0.173 0.000 0.981 457 Y HN 0.304 nan 8.280 nan 0.000 0.507 458 Y N -0.940 119.440 120.300 0.133 0.000 2.228 458 Y HA -0.355 4.194 4.550 -0.002 0.000 0.285 458 Y C 1.361 177.104 175.900 -0.263 0.000 1.178 458 Y CA 2.121 60.142 58.100 -0.133 0.000 1.202 458 Y CB -0.632 37.658 38.460 -0.283 0.000 0.974 458 Y HN 0.260 nan 8.280 nan 0.000 0.527 459 W N -1.403 119.998 121.300 0.169 0.000 2.588 459 W HA 0.020 4.679 4.660 -0.001 0.000 0.277 459 W C 2.068 178.598 176.519 0.018 0.000 1.221 459 W CA 0.171 57.574 57.345 0.096 0.000 1.355 459 W CB -0.624 28.999 29.460 0.272 0.000 1.083 459 W HN 0.046 nan 8.180 nan 0.000 0.581 460 L N 1.859 123.220 121.223 0.229 0.000 2.089 460 L HA -0.253 4.085 4.340 -0.002 0.000 0.213 460 L C 1.868 178.789 176.870 0.085 0.000 1.079 460 L CA 1.990 56.932 54.840 0.171 0.000 0.758 460 L CB -0.819 41.306 42.059 0.110 0.000 0.891 460 L HN -0.042 nan 8.230 nan 0.000 0.433 461 K N -0.960 119.338 120.400 -0.170 0.000 2.031 461 K HA -0.043 4.276 4.320 -0.002 0.000 0.205 461 K C 2.068 178.526 176.600 -0.237 0.000 1.049 461 K CA 1.187 57.317 56.287 -0.261 0.000 0.939 461 K CB -0.165 32.073 32.500 -0.436 0.000 0.717 461 K HN 0.253 nan 8.250 nan 0.000 0.438 462 I N 1.613 122.072 120.570 -0.185 0.000 2.248 462 I HA -0.323 3.846 4.170 -0.002 0.000 0.248 462 I C 2.559 178.716 176.117 0.066 0.000 1.107 462 I CA 1.694 62.979 61.300 -0.025 0.000 1.373 462 I CB -1.192 36.884 38.000 0.126 0.000 1.055 462 I HN 0.400 nan 8.210 nan 0.000 0.418 463 H N 0.846 119.884 119.070 -0.053 0.000 2.423 463 H HA -0.090 4.465 4.556 -0.002 0.000 0.297 463 H C 2.155 177.240 175.328 -0.405 0.000 1.075 463 H CA 1.345 57.295 56.048 -0.163 0.000 1.342 463 H CB 0.153 29.831 29.762 -0.140 0.000 1.395 463 H HN 0.283 nan 8.280 nan 0.000 0.530 464 G N 0.758 108.940 108.800 -1.030 0.000 2.480 464 G HA2 -0.303 3.656 3.960 -0.002 0.000 0.216 464 G HA3 -0.303 3.656 3.960 -0.002 0.000 0.216 464 G C 1.970 176.444 174.900 -0.710 0.000 1.200 464 G CA 1.334 45.321 45.100 -1.855 0.000 0.782 464 G HN 0.552 nan 8.290 nan 0.000 0.554 465 A N 1.296 123.937 122.820 -0.298 0.000 1.903 465 A HA -0.228 4.091 4.320 -0.002 0.000 0.219 465 A C 2.320 179.841 177.584 -0.105 0.000 1.191 465 A CA 2.218 54.229 52.037 -0.042 0.000 0.638 465 A CB -0.605 18.413 19.000 0.030 0.000 0.823 465 A HN 0.405 nan 8.150 nan 0.000 0.451 466 N N -0.377 118.271 118.700 -0.087 0.000 2.028 466 N HA -0.166 4.573 4.740 -0.002 0.000 0.194 466 N C 1.800 177.244 175.510 -0.111 0.000 1.050 466 N CA 1.600 54.617 53.050 -0.055 0.000 0.848 466 N CB -1.127 37.370 38.487 0.017 0.000 1.038 466 N HN 0.505 nan 8.380 nan 0.000 0.423 467 C N 1.092 120.269 119.300 -0.206 0.000 2.397 467 C HA -0.158 4.301 4.460 -0.002 0.000 0.279 467 C C 2.392 177.399 174.990 0.029 0.000 1.206 467 C CA 1.170 60.107 59.018 -0.135 0.000 1.818 467 C CB -1.263 26.248 27.740 -0.381 0.000 2.087 467 C HN 0.516 nan 8.230 nan 0.000 0.488 468 A N -2.135 120.699 122.820 0.023 0.000 2.308 468 A HA 0.480 4.799 4.320 -0.002 0.000 0.217 468 A C 1.681 179.156 177.584 -0.181 0.000 1.216 468 A CA 1.358 53.346 52.037 -0.081 0.000 0.864 468 A CB -0.350 18.688 19.000 0.062 0.000 0.902 468 A HN 1.274 nan 8.150 nan 0.000 0.499 469 G N -1.444 107.259 108.800 -0.162 0.000 2.232 469 G HA2 -0.229 3.729 3.960 -0.002 0.000 0.226 469 G HA3 -0.229 3.729 3.960 -0.002 0.000 0.226 469 G C 0.330 175.104 174.900 -0.210 0.000 0.996 469 G CA 0.009 45.008 45.100 -0.169 0.000 0.626 469 G HN 0.863 nan 8.290 nan 0.000 0.509 470 V N 2.943 122.665 119.914 -0.321 0.000 2.055 470 V HA 0.373 4.492 4.120 -0.002 0.000 0.248 470 V C 0.986 176.988 176.094 -0.154 0.000 1.476 470 V CA 0.854 62.953 62.300 -0.335 0.000 1.417 470 V CB 0.289 31.736 31.823 -0.626 0.000 1.465 470 V HN 0.565 nan 8.190 nan 0.000 0.502 471 D N 0.712 121.059 120.400 -0.090 0.000 2.469 471 D HA 0.079 4.718 4.640 -0.002 0.000 0.213 471 D C 0.659 176.971 176.300 0.020 0.000 1.135 471 D CA -0.295 53.714 54.000 0.016 0.000 0.834 471 D CB 0.490 41.285 40.800 -0.007 0.000 1.009 471 D HN 0.295 nan 8.370 nan 0.000 0.507 472 K N 0.844 121.204 120.400 -0.067 0.000 2.901 472 K HA 0.476 4.795 4.320 -0.002 0.000 0.199 472 K C -1.255 175.232 176.600 -0.189 0.000 1.140 472 K CA -0.629 55.587 56.287 -0.119 0.000 1.030 472 K CB 1.329 33.771 32.500 -0.096 0.000 1.437 472 K HN 0.047 nan 8.250 nan 0.000 0.552 473 V N 0.601 120.392 119.914 -0.205 0.000 2.950 473 V HA 0.454 4.573 4.120 -0.002 0.000 0.295 473 V C -2.708 173.311 176.094 -0.126 0.000 1.297 473 V CA -2.204 59.983 62.300 -0.189 0.000 0.962 473 V CB 2.169 33.930 31.823 -0.104 0.000 1.081 473 V HN 0.184 nan 8.190 nan 0.000 0.432 474 P HA 0.045 nan 4.420 nan 0.000 0.271 474 P C 0.497 177.816 177.300 0.031 0.000 1.212 474 P CA 0.398 63.596 63.100 0.163 0.000 0.788 474 P CB 0.367 32.197 31.700 0.216 0.000 0.865 475 F N 1.787 121.872 119.950 0.225 0.000 2.075 475 F HA -0.101 4.425 4.527 -0.002 0.000 0.297 475 F C -0.022 175.795 175.800 0.029 0.000 1.113 475 F CA 2.072 60.119 58.000 0.079 0.000 1.218 475 F CB -3.006 36.003 39.000 0.015 0.000 0.984 475 F HN 0.365 nan 8.300 nan 0.000 0.472 476 P HA -0.275 nan 4.420 nan 0.000 0.219 476 P C 1.088 178.460 177.300 0.118 0.000 1.159 476 P CA 2.552 65.743 63.100 0.151 0.000 0.944 476 P CB -0.349 31.430 31.700 0.132 0.000 0.792 477 E N 0.026 120.293 120.200 0.112 0.000 2.333 477 E HA -0.169 4.180 4.350 -0.002 0.000 0.198 477 E C 2.068 178.748 176.600 0.133 0.000 1.007 477 E CA 0.814 57.279 56.400 0.108 0.000 0.845 477 E CB -0.612 29.133 29.700 0.075 0.000 0.766 477 E HN 0.430 nan 8.360 nan 0.000 0.507 478 R N 0.272 120.844 120.500 0.120 0.000 2.093 478 R HA 0.042 4.380 4.340 -0.002 0.000 0.224 478 R C 2.450 178.849 176.300 0.165 0.000 1.101 478 R CA 0.666 56.846 56.100 0.132 0.000 0.979 478 R CB -0.093 30.278 30.300 0.118 0.000 0.877 478 R HN 0.151 nan 8.270 nan 0.000 0.441 479 I N 1.530 122.141 120.570 0.069 0.000 2.163 479 I HA -0.232 3.937 4.170 -0.002 0.000 0.240 479 I C 2.305 178.485 176.117 0.106 0.000 1.081 479 I CA 1.283 62.591 61.300 0.013 0.000 1.353 479 I CB -0.959 37.006 38.000 -0.059 0.000 1.054 479 I HN 0.019 nan 8.210 nan 0.000 0.407 480 K N 1.400 121.876 120.400 0.126 0.000 2.030 480 K HA -0.296 4.023 4.320 -0.002 0.000 0.222 480 K C 2.174 178.877 176.600 0.172 0.000 1.056 480 K CA 2.040 58.410 56.287 0.138 0.000 0.957 480 K CB -1.030 31.554 32.500 0.140 0.000 0.727 480 K HN 0.145 nan 8.250 nan 0.000 0.452 481 F N 0.868 120.865 119.950 0.078 0.000 2.032 481 F HA -0.297 4.229 4.527 -0.002 0.000 0.297 481 F C 1.946 177.841 175.800 0.159 0.000 1.125 481 F CA 2.007 60.071 58.000 0.106 0.000 1.202 481 F CB -0.522 38.530 39.000 0.087 0.000 0.958 481 F HN 0.081 nan 8.300 nan 0.000 0.491 482 I N 0.729 121.358 120.570 0.097 0.000 2.118 482 I HA -0.315 3.854 4.170 -0.002 0.000 0.241 482 I C 2.364 178.566 176.117 0.142 0.000 1.070 482 I CA 2.097 63.442 61.300 0.075 0.000 1.327 482 I CB -1.448 36.617 38.000 0.109 0.000 1.034 482 I HN 0.363 nan 8.210 nan 0.000 0.405 483 E N 0.293 120.585 120.200 0.153 0.000 2.110 483 E HA -0.232 4.117 4.350 -0.002 0.000 0.193 483 E C 2.061 178.742 176.600 0.135 0.000 0.988 483 E CA 0.991 57.502 56.400 0.185 0.000 0.804 483 E CB -0.160 29.630 29.700 0.149 0.000 0.745 483 E HN 0.504 nan 8.360 nan 0.000 0.458 484 E N 0.622 120.857 120.200 0.059 0.000 2.097 484 E HA -0.180 4.169 4.350 -0.002 0.000 0.196 484 E C 0.950 177.540 176.600 -0.018 0.000 1.000 484 E CA 1.183 57.592 56.400 0.014 0.000 0.804 484 E CB -0.038 29.655 29.700 -0.013 0.000 0.740 484 E HN 0.214 nan 8.360 nan 0.000 0.454 485 N N -0.767 117.905 118.700 -0.046 0.000 2.235 485 N HA -0.014 4.725 4.740 -0.002 0.000 0.209 485 N C 0.923 176.484 175.510 0.084 0.000 1.122 485 N CA 0.029 53.033 53.050 -0.077 0.000 0.845 485 N CB -0.066 38.327 38.487 -0.157 0.000 1.004 485 N HN 0.275 nan 8.380 nan 0.000 0.499 486 H N 1.572 120.692 119.070 0.083 0.000 2.292 486 H HA -0.211 4.344 4.556 -0.002 0.000 0.292 486 H C 0.954 176.315 175.328 0.055 0.000 1.100 486 H CA 1.634 57.763 56.048 0.134 0.000 1.238 486 H CB 0.482 30.278 29.762 0.057 0.000 1.355 486 H HN 0.174 nan 8.280 nan 0.000 0.484 487 E N 0.657 120.756 120.200 -0.167 0.000 2.048 487 E HA -0.222 4.127 4.350 -0.002 0.000 0.202 487 E C 2.132 178.626 176.600 -0.177 0.000 1.021 487 E CA 0.922 57.154 56.400 -0.281 0.000 0.825 487 E CB -0.572 29.021 29.700 -0.178 0.000 0.756 487 E HN 0.596 nan 8.360 nan 0.000 0.454 488 N N 0.766 119.363 118.700 -0.171 0.000 2.069 488 N HA -0.199 4.540 4.740 -0.002 0.000 0.196 488 N C 2.170 177.756 175.510 0.127 0.000 1.024 488 N CA 1.523 54.457 53.050 -0.194 0.000 0.869 488 N CB -0.460 37.581 38.487 -0.744 0.000 1.035 488 N HN 0.238 nan 8.380 nan 0.000 0.434 489 I N 0.796 121.546 120.570 0.300 0.000 2.127 489 I HA -0.258 3.911 4.170 -0.002 0.000 0.241 489 I C 2.394 178.662 176.117 0.253 0.000 1.075 489 I CA 1.044 62.621 61.300 0.461 0.000 1.334 489 I CB -0.348 37.999 38.000 0.579 0.000 1.040 489 I HN 0.079 nan 8.210 nan 0.000 0.405 490 M N 0.751 120.403 119.600 0.088 0.000 2.267 490 M HA -0.188 4.291 4.480 -0.002 0.000 0.263 490 M C 2.498 178.840 176.300 0.070 0.000 1.063 490 M CA 1.755 57.064 55.300 0.014 0.000 1.090 490 M CB -1.154 31.334 32.600 -0.186 0.000 1.392 490 M HN 0.415 nan 8.290 nan 0.000 0.422 491 A N 0.505 123.374 122.820 0.081 0.000 1.828 491 A HA -0.211 4.108 4.320 -0.002 0.000 0.215 491 A C 2.457 180.155 177.584 0.190 0.000 1.203 491 A CA 2.036 54.136 52.037 0.104 0.000 0.614 491 A CB -1.421 17.624 19.000 0.075 0.000 0.844 491 A HN 0.696 nan 8.150 nan 0.000 0.445 492 C N -0.685 118.787 119.300 0.286 0.000 2.410 492 C HA 0.187 4.646 4.460 -0.002 0.000 0.281 492 C C 2.835 178.018 174.990 0.322 0.000 1.318 492 C CA 0.177 59.443 59.018 0.412 0.000 1.776 492 C CB -1.925 26.197 27.740 0.636 0.000 1.942 492 C HN 0.657 nan 8.230 nan 0.000 0.508 493 A N 1.789 124.762 122.820 0.254 0.000 1.828 493 A HA -0.153 4.166 4.320 -0.002 0.000 0.215 493 A C 2.348 180.087 177.584 0.259 0.000 1.203 493 A CA 2.043 54.234 52.037 0.258 0.000 0.614 493 A CB -0.837 18.260 19.000 0.162 0.000 0.844 493 A HN 0.638 nan 8.150 nan 0.000 0.445 494 K N -0.855 119.654 120.400 0.183 0.000 2.001 494 K HA -0.093 4.226 4.320 -0.002 0.000 0.214 494 K C -0.034 176.663 176.600 0.162 0.000 1.050 494 K CA 1.702 58.080 56.287 0.153 0.000 0.934 494 K CB -0.189 32.382 32.500 0.118 0.000 0.718 494 K HN 0.350 nan 8.250 nan 0.000 0.443 495 S N 0.322 116.129 115.700 0.178 0.000 2.539 495 S HA 0.242 4.711 4.470 -0.002 0.000 0.235 495 S C -2.233 172.521 174.600 0.256 0.000 1.326 495 S CA -1.374 56.938 58.200 0.186 0.000 1.183 495 S CB 1.791 65.070 63.200 0.132 0.000 1.073 495 S HN 0.188 nan 8.310 nan 0.000 0.480 496 P HA -0.079 nan 4.420 nan 0.000 0.214 496 P C 1.381 178.993 177.300 0.519 0.000 1.162 496 P CA 0.860 64.281 63.100 0.535 0.000 0.879 496 P CB 0.074 32.040 31.700 0.443 0.000 0.786 497 L N -0.442 120.997 121.223 0.361 0.000 2.450 497 L HA -0.087 4.252 4.340 -0.002 0.000 0.224 497 L C 1.623 178.591 176.870 0.164 0.000 1.149 497 L CA 1.513 56.515 54.840 0.270 0.000 0.816 497 L CB -0.751 41.441 42.059 0.223 0.000 0.932 497 L HN 0.107 nan 8.230 nan 0.000 0.449 498 E N -1.115 119.179 120.200 0.156 0.000 2.583 498 E HA 0.115 4.464 4.350 -0.002 0.000 0.213 498 E C 0.089 176.730 176.600 0.067 0.000 0.989 498 E CA -0.139 56.312 56.400 0.085 0.000 0.991 498 E CB 0.626 30.372 29.700 0.077 0.000 1.040 498 E HN 0.161 nan 8.360 nan 0.000 0.481 499 N N 1.127 119.889 118.700 0.103 0.000 2.727 499 N HA 0.023 4.762 4.740 -0.002 0.000 0.252 499 N C 0.139 175.603 175.510 -0.077 0.000 1.283 499 N CA 0.136 53.232 53.050 0.076 0.000 0.782 499 N CB 1.337 39.933 38.487 0.182 0.000 1.199 499 N HN 0.022 nan 8.380 nan 0.000 0.520 500 T N -2.179 112.237 114.554 -0.229 0.000 3.155 500 T HA -0.085 4.264 4.350 -0.002 0.000 0.264 500 T C 1.557 175.987 174.700 -0.450 0.000 1.160 500 T CA 0.030 61.805 62.100 -0.542 0.000 1.075 500 T CB -0.250 68.405 68.868 -0.355 0.000 0.921 500 T HN 0.515 nan 8.240 nan 0.000 0.533 501 W N 2.275 123.359 121.300 -0.359 0.000 2.421 501 W HA 0.020 4.679 4.660 -0.002 0.000 0.270 501 W C 1.893 178.283 176.519 -0.215 0.000 1.233 501 W CA 0.379 57.583 57.345 -0.236 0.000 1.226 501 W CB -0.375 29.020 29.460 -0.107 0.000 1.121 501 W HN 0.566 nan 8.180 nan 0.000 0.579 502 W N -0.824 120.410 121.300 -0.109 0.000 2.436 502 W HA 0.106 4.765 4.660 -0.002 0.000 0.284 502 W C 1.739 178.032 176.519 -0.378 0.000 1.225 502 W CA 1.010 58.154 57.345 -0.335 0.000 1.271 502 W CB -1.569 27.893 29.460 0.004 0.000 1.114 502 W HN 0.014 nan 8.180 nan 0.000 0.559 503 A N 1.372 123.885 122.820 -0.512 0.000 2.209 503 A HA -0.092 4.227 4.320 -0.002 0.000 0.212 503 A C 1.788 179.190 177.584 -0.304 0.000 1.158 503 A CA 1.280 53.065 52.037 -0.421 0.000 0.742 503 A CB -0.573 17.828 19.000 -1.000 0.000 0.790 503 A HN 0.455 nan 8.150 nan 0.000 0.472 504 E N -0.508 119.461 120.200 -0.386 0.000 2.276 504 E HA -0.009 4.340 4.350 -0.002 0.000 0.193 504 E C 0.332 176.716 176.600 -0.360 0.000 0.983 504 E CA -0.157 56.049 56.400 -0.322 0.000 0.861 504 E CB 0.045 29.583 29.700 -0.269 0.000 0.817 504 E HN 0.481 nan 8.360 nan 0.000 0.485 505 Q N 1.208 120.674 119.800 -0.556 0.000 2.524 505 Q HA -0.061 4.278 4.340 -0.002 0.000 0.246 505 Q C 0.518 176.370 176.000 -0.247 0.000 1.063 505 Q CA 0.440 55.937 55.803 -0.509 0.000 0.945 505 Q CB 0.303 28.547 28.738 -0.822 0.000 1.292 505 Q HN 0.061 nan 8.270 nan 0.000 0.518 506 D N -0.123 120.171 120.400 -0.177 0.000 2.123 506 D HA -0.083 4.556 4.640 -0.002 0.000 0.196 506 D C -0.038 176.238 176.300 -0.040 0.000 0.992 506 D CA 1.310 55.253 54.000 -0.095 0.000 0.833 506 D CB 0.142 40.891 40.800 -0.085 0.000 0.954 506 D HN 0.214 nan 8.370 nan 0.000 0.455 507 S N 1.571 117.264 115.700 -0.011 0.000 2.468 507 S HA 0.178 4.647 4.470 -0.002 0.000 0.190 507 S C -1.856 172.816 174.600 0.119 0.000 1.445 507 S CA -1.295 56.941 58.200 0.060 0.000 1.084 507 S CB 1.557 64.793 63.200 0.060 0.000 1.175 507 S HN 0.061 nan 8.310 nan 0.000 0.484 508 P HA -0.209 nan 4.420 nan 0.000 0.219 508 P C 1.039 178.392 177.300 0.088 0.000 0.910 508 P CA 1.310 64.492 63.100 0.136 0.000 1.033 508 P CB -0.101 31.656 31.700 0.095 0.000 0.630 509 F N -1.116 118.900 119.950 0.111 0.000 2.204 509 F HA -0.251 4.275 4.527 -0.002 0.000 0.301 509 F C 2.936 178.718 175.800 -0.030 0.000 1.058 509 F CA 1.400 59.373 58.000 -0.044 0.000 1.313 509 F CB -1.621 37.387 39.000 0.013 0.000 1.051 509 F HN 0.117 nan 8.300 nan 0.000 0.505 510 C N -1.107 118.319 119.300 0.209 0.000 2.464 510 C HA -0.080 4.379 4.460 -0.002 0.000 0.278 510 C C 2.711 177.750 174.990 0.081 0.000 1.375 510 C CA -0.009 59.100 59.018 0.152 0.000 1.761 510 C CB -1.504 26.329 27.740 0.156 0.000 1.944 510 C HN 0.509 nan 8.230 nan 0.000 0.509 511 F N 0.504 120.423 119.950 -0.051 0.000 2.206 511 F HA -0.023 4.503 4.527 -0.002 0.000 0.298 511 F C 1.885 177.680 175.800 -0.009 0.000 1.090 511 F CA 1.340 59.298 58.000 -0.071 0.000 1.323 511 F CB -0.346 38.594 39.000 -0.100 0.000 1.028 511 F HN 0.123 nan 8.300 nan 0.000 0.492 512 L N 0.642 121.804 121.223 -0.102 0.000 2.027 512 L HA -0.028 4.311 4.340 -0.002 0.000 0.206 512 L C 2.523 178.970 176.870 -0.706 0.000 1.074 512 L CA 2.044 56.555 54.840 -0.549 0.000 0.745 512 L CB -1.385 40.066 42.059 -1.013 0.000 0.898 512 L HN 0.136 nan 8.230 nan 0.000 0.433 513 A N -0.908 121.717 122.820 -0.324 0.000 1.940 513 A HA -0.296 4.023 4.320 -0.002 0.000 0.219 513 A C 2.299 179.865 177.584 -0.031 0.000 1.176 513 A CA 1.940 53.922 52.037 -0.091 0.000 0.631 513 A CB -1.219 17.843 19.000 0.104 0.000 0.814 513 A HN 0.618 nan 8.150 nan 0.000 0.446 514 F N 0.467 120.280 119.950 -0.229 0.000 2.146 514 F HA -0.213 4.312 4.527 -0.002 0.000 0.298 514 F C 2.303 177.954 175.800 -0.248 0.000 1.096 514 F CA 1.470 59.324 58.000 -0.243 0.000 1.275 514 F CB -0.624 38.059 39.000 -0.528 0.000 1.008 514 F HN 0.293 nan 8.300 nan 0.000 0.480 515 C N 1.275 120.215 119.300 -0.600 0.000 2.396 515 C HA -0.232 4.227 4.460 -0.002 0.000 0.281 515 C C 2.520 177.337 174.990 -0.289 0.000 1.208 515 C CA 1.124 59.801 59.018 -0.569 0.000 1.754 515 C CB -1.771 25.737 27.740 -0.386 0.000 2.044 515 C HN 0.554 nan 8.230 nan 0.000 0.449 516 F N 1.651 121.521 119.950 -0.132 0.000 2.045 516 F HA -0.211 4.315 4.527 -0.002 0.000 0.297 516 F C 2.458 178.213 175.800 -0.074 0.000 1.114 516 F CA 1.800 59.753 58.000 -0.078 0.000 1.207 516 F CB -1.515 37.466 39.000 -0.032 0.000 0.964 516 F HN 0.312 nan 8.300 nan 0.000 0.486 517 E N -0.691 119.603 120.200 0.156 0.000 2.130 517 E HA -0.274 4.075 4.350 -0.002 0.000 0.196 517 E C 2.253 178.927 176.600 0.122 0.000 0.998 517 E CA 1.372 57.879 56.400 0.177 0.000 0.806 517 E CB -1.164 28.628 29.700 0.154 0.000 0.738 517 E HN 0.617 nan 8.360 nan 0.000 0.459 518 Y N 0.790 120.915 120.300 -0.292 0.000 2.207 518 Y HA -0.277 4.272 4.550 -0.002 0.000 0.287 518 Y C 2.334 178.151 175.900 -0.139 0.000 1.156 518 Y CA 0.918 58.849 58.100 -0.282 0.000 1.182 518 Y CB 0.089 38.237 38.460 -0.521 0.000 0.979 518 Y HN 0.087 nan 8.280 nan 0.000 0.521 519 A N -0.259 122.535 122.820 -0.045 0.000 1.930 519 A HA -0.101 4.218 4.320 -0.002 0.000 0.217 519 A C 2.323 179.634 177.584 -0.455 0.000 1.175 519 A CA 1.517 53.385 52.037 -0.281 0.000 0.627 519 A CB -1.342 17.540 19.000 -0.197 0.000 0.815 519 A HN 0.551 nan 8.150 nan 0.000 0.443 520 G N -0.667 107.944 108.800 -0.315 0.000 2.421 520 G HA2 0.005 3.964 3.960 -0.002 0.000 0.217 520 G HA3 0.005 3.964 3.960 -0.002 0.000 0.217 520 G C 1.464 176.072 174.900 -0.487 0.000 1.143 520 G CA 1.029 45.759 45.100 -0.618 0.000 0.784 520 G HN 0.271 nan 8.290 nan 0.000 0.541 521 V N 0.866 120.735 119.914 -0.074 0.000 2.233 521 V HA -0.240 3.879 4.120 -0.002 0.000 0.247 521 V C 3.052 179.163 176.094 0.027 0.000 1.050 521 V CA 2.044 64.432 62.300 0.146 0.000 1.010 521 V CB -0.505 31.568 31.823 0.417 0.000 0.637 521 V HN 0.306 nan 8.190 nan 0.000 0.444 522 Q N -0.131 119.636 119.800 -0.055 0.000 2.030 522 Q HA -0.224 4.115 4.340 -0.002 0.000 0.204 522 Q C 1.997 178.057 176.000 0.100 0.000 0.986 522 Q CA 2.050 57.822 55.803 -0.052 0.000 0.843 522 Q CB -0.776 27.886 28.738 -0.126 0.000 0.904 522 Q HN 0.798 nan 8.270 nan 0.000 0.420 523 H N -1.383 117.686 119.070 -0.002 0.000 2.563 523 H HA -0.001 4.554 4.556 -0.002 0.000 0.272 523 H C 0.426 175.866 175.328 0.188 0.000 1.005 523 H CA 0.193 56.283 56.048 0.070 0.000 1.171 523 H CB 0.230 30.052 29.762 0.099 0.000 1.351 523 H HN 0.307 nan 8.280 nan 0.000 0.602 524 H N -1.256 117.787 119.070 -0.045 0.000 3.394 524 H HA 0.222 4.777 4.556 -0.002 0.000 0.256 524 H C 0.882 176.216 175.328 0.010 0.000 1.180 524 H CA 0.308 56.327 56.048 -0.049 0.000 1.064 524 H CB 0.766 30.431 29.762 -0.161 0.000 1.854 524 H HN 0.486 nan 8.280 nan 0.000 0.731 525 G N 0.695 109.543 108.800 0.080 0.000 2.939 525 G HA2 -0.296 3.663 3.960 -0.002 0.000 0.278 525 G HA3 -0.296 3.663 3.960 -0.002 0.000 0.278 525 G C 1.007 175.955 174.900 0.079 0.000 1.487 525 G CA -0.086 45.034 45.100 0.034 0.000 0.935 525 G HN 0.320 nan 8.290 nan 0.000 0.553 526 L N 0.521 121.752 121.223 0.013 0.000 2.551 526 L HA -0.077 4.262 4.340 -0.002 0.000 0.230 526 L C 2.613 179.542 176.870 0.097 0.000 1.163 526 L CA 1.808 56.666 54.840 0.031 0.000 0.826 526 L CB -0.721 41.324 42.059 -0.023 0.000 0.943 526 L HN 0.709 nan 8.230 nan 0.000 0.452 527 S N -2.535 113.239 115.700 0.123 0.000 2.556 527 S HA -0.008 4.461 4.470 -0.002 0.000 0.216 527 S C 0.448 175.168 174.600 0.201 0.000 0.970 527 S CA -0.508 57.769 58.200 0.127 0.000 0.912 527 S CB -0.335 62.924 63.200 0.099 0.000 0.790 527 S HN 0.297 nan 8.310 nan 0.000 0.504 528 Y N 4.348 124.705 120.300 0.095 0.000 2.526 528 Y HA 0.324 4.873 4.550 -0.002 0.000 0.330 528 Y C 0.225 176.167 175.900 0.069 0.000 1.156 528 Y CA -1.409 56.751 58.100 0.101 0.000 1.419 528 Y CB 0.015 38.537 38.460 0.104 0.000 1.250 528 Y HN 0.225 nan 8.280 nan 0.000 0.540 529 N N 5.389 123.850 118.700 -0.398 0.000 2.399 529 N HA 0.094 4.833 4.740 -0.002 0.000 0.259 529 N C -1.675 173.336 175.510 -0.833 0.000 1.160 529 N CA 0.065 52.844 53.050 -0.451 0.000 0.946 529 N CB -0.170 38.187 38.487 -0.216 0.000 1.156 529 N HN 0.603 nan 8.380 nan 0.000 0.489 530 C N 3.415 122.419 119.300 -0.494 0.000 2.322 530 C HA 0.418 4.877 4.460 -0.002 0.000 0.324 530 C C 1.233 176.113 174.990 -0.183 0.000 1.249 530 C CA -0.545 58.259 59.018 -0.357 0.000 1.453 530 C CB -0.247 27.384 27.740 -0.181 0.000 2.145 530 C HN 0.885 nan 8.230 nan 0.000 0.466 531 S N 3.396 119.002 115.700 -0.156 0.000 2.556 531 S HA 0.080 4.549 4.470 -0.002 0.000 0.216 531 S C 0.231 174.759 174.600 -0.119 0.000 0.970 531 S CA -0.290 57.826 58.200 -0.140 0.000 0.912 531 S CB -0.248 62.867 63.200 -0.141 0.000 0.790 531 S HN 0.749 nan 8.310 nan 0.000 0.504 532 L N 4.549 125.737 121.223 -0.058 0.000 2.562 532 L HA 0.267 4.606 4.340 -0.002 0.000 0.271 532 L C -2.551 174.271 176.870 -0.080 0.000 1.167 532 L CA -1.498 53.330 54.840 -0.020 0.000 0.917 532 L CB -0.043 42.055 42.059 0.066 0.000 1.187 532 L HN -0.068 nan 8.230 nan 0.000 0.482 533 P HA 0.025 nan 4.420 nan 0.000 0.263 533 P C -1.000 176.133 177.300 -0.277 0.000 1.276 533 P CA 0.276 63.283 63.100 -0.155 0.000 0.986 533 P CB -0.086 31.567 31.700 -0.078 0.000 1.105 534 L N 2.971 124.031 121.223 -0.272 0.000 2.278 534 L HA 0.555 4.894 4.340 -0.002 0.000 0.287 534 L C 0.892 177.486 176.870 -0.460 0.000 1.072 534 L CA -0.684 53.875 54.840 -0.469 0.000 0.819 534 L CB 0.869 42.807 42.059 -0.202 0.000 1.176 534 L HN 0.253 nan 8.230 nan 0.000 0.435 535 A N 3.887 126.361 122.820 -0.576 0.000 2.312 535 A HA 0.840 5.159 4.320 -0.002 0.000 0.328 535 A C -0.959 176.227 177.584 -0.664 0.000 1.158 535 A CA -0.342 51.462 52.037 -0.387 0.000 0.821 535 A CB 0.629 19.518 19.000 -0.185 0.000 1.170 535 A HN 0.546 nan 8.150 nan 0.000 0.490 536 F N 1.230 121.279 119.950 0.165 0.000 2.496 536 F HA 0.305 4.831 4.527 -0.002 0.000 0.341 536 F C -0.388 175.491 175.800 0.132 0.000 1.134 536 F CA -0.637 57.542 58.000 0.298 0.000 0.968 536 F CB 1.867 41.132 39.000 0.440 0.000 1.205 536 F HN 0.423 nan 8.300 nan 0.000 0.436 537 D N 2.082 122.348 120.400 -0.224 0.000 2.225 537 D HA 0.315 4.954 4.640 -0.002 0.000 0.248 537 D C 0.324 176.609 176.300 -0.025 0.000 1.096 537 D CA -0.060 53.837 54.000 -0.170 0.000 0.863 537 D CB 2.052 42.670 40.800 -0.304 0.000 1.156 537 D HN 0.701 nan 8.370 nan 0.000 0.450 538 G N 1.435 110.323 108.800 0.146 0.000 2.355 538 G HA2 0.243 4.202 3.960 -0.002 0.000 0.276 538 G HA3 0.243 4.202 3.960 -0.002 0.000 0.276 538 G C 1.142 176.097 174.900 0.092 0.000 1.198 538 G CA -0.312 44.899 45.100 0.185 0.000 0.876 538 G HN 0.360 nan 8.290 nan 0.000 0.478 539 S N 0.949 116.720 115.700 0.119 0.000 2.418 539 S HA -0.265 4.204 4.470 -0.002 0.000 0.377 539 S C 1.336 175.941 174.600 0.009 0.000 1.036 539 S CA 1.319 59.556 58.200 0.062 0.000 2.111 539 S CB -0.428 62.798 63.200 0.042 0.000 1.602 539 S HN 0.661 nan 8.310 nan 0.000 0.453 540 C N 1.615 120.894 119.300 -0.036 0.000 2.987 540 C HA 0.442 4.901 4.460 -0.002 0.000 0.262 540 C C 1.859 176.812 174.990 -0.060 0.000 1.531 540 C CA -0.442 58.548 59.018 -0.048 0.000 1.571 540 C CB -1.616 26.066 27.740 -0.097 0.000 2.381 540 C HN 0.872 nan 8.230 nan 0.000 0.519 541 S N 1.217 116.878 115.700 -0.065 0.000 2.565 541 S HA -0.309 4.160 4.470 -0.002 0.000 0.310 541 S C 1.982 176.512 174.600 -0.117 0.000 1.244 541 S CA 2.441 60.567 58.200 -0.123 0.000 1.170 541 S CB -1.290 61.927 63.200 0.028 0.000 1.179 541 S HN 0.851 nan 8.310 nan 0.000 0.441 542 G N 2.321 111.123 108.800 0.003 0.000 2.812 542 G HA2 -0.231 3.728 3.960 -0.002 0.000 0.218 542 G HA3 -0.231 3.728 3.960 -0.002 0.000 0.218 542 G C 1.397 176.321 174.900 0.040 0.000 1.287 542 G CA 1.445 46.577 45.100 0.054 0.000 0.796 542 G HN 0.700 nan 8.290 nan 0.000 0.649 543 I N 0.778 121.409 120.570 0.101 0.000 2.916 543 I HA -0.078 4.091 4.170 -0.002 0.000 0.267 543 I C 2.781 178.933 176.117 0.059 0.000 1.263 543 I CA 0.527 61.934 61.300 0.178 0.000 1.471 543 I CB -0.282 37.764 38.000 0.076 0.000 1.089 543 I HN 0.303 nan 8.210 nan 0.000 0.468 544 Q N 0.473 120.204 119.800 -0.115 0.000 1.891 544 Q HA -0.213 4.126 4.340 -0.002 0.000 0.214 544 Q C 2.331 178.204 176.000 -0.213 0.000 0.995 544 Q CA 1.843 57.497 55.803 -0.248 0.000 0.866 544 Q CB -0.236 28.212 28.738 -0.483 0.000 0.931 544 Q HN 0.547 nan 8.270 nan 0.000 0.422 545 H N -0.361 118.675 119.070 -0.057 0.000 2.289 545 H HA -0.191 4.364 4.556 -0.002 0.000 0.294 545 H C 2.156 177.588 175.328 0.174 0.000 1.095 545 H CA 1.512 57.543 56.048 -0.027 0.000 1.256 545 H CB -0.740 29.021 29.762 -0.001 0.000 1.359 545 H HN 0.236 nan 8.280 nan 0.000 0.487 546 F N 1.472 121.559 119.950 0.229 0.000 2.063 546 F HA -0.231 4.294 4.527 -0.002 0.000 0.298 546 F C 2.954 178.820 175.800 0.109 0.000 1.109 546 F CA 1.421 59.525 58.000 0.173 0.000 1.212 546 F CB -1.011 38.059 39.000 0.117 0.000 0.973 546 F HN 0.025 nan 8.300 nan 0.000 0.480 547 S N -0.557 115.293 115.700 0.251 0.000 2.419 547 S HA -0.171 4.298 4.470 -0.002 0.000 0.235 547 S C 2.201 176.860 174.600 0.098 0.000 1.019 547 S CA 0.888 59.158 58.200 0.116 0.000 0.982 547 S CB -0.562 62.665 63.200 0.045 0.000 0.789 547 S HN 0.393 nan 8.310 nan 0.000 0.490 548 A N 2.233 125.125 122.820 0.120 0.000 1.855 548 A HA 0.037 4.356 4.320 -0.002 0.000 0.213 548 A C 2.077 179.836 177.584 0.291 0.000 1.195 548 A CA 1.248 53.360 52.037 0.125 0.000 0.610 548 A CB -0.643 18.305 19.000 -0.088 0.000 0.837 548 A HN 0.645 nan 8.150 nan 0.000 0.444 549 M N -1.582 118.277 119.600 0.432 0.000 2.706 549 M HA 0.192 4.671 4.480 -0.002 0.000 0.251 549 M C 0.643 177.023 176.300 0.134 0.000 1.070 549 M CA 1.463 56.929 55.300 0.277 0.000 1.073 549 M CB -0.313 32.430 32.600 0.239 0.000 1.449 549 M HN 0.230 nan 8.290 nan 0.000 0.531 550 L N 0.098 121.395 121.223 0.123 0.000 3.259 550 L HA 0.326 4.665 4.340 -0.002 0.000 0.292 550 L C 0.027 176.915 176.870 0.030 0.000 1.219 550 L CA -0.498 54.370 54.840 0.046 0.000 1.035 550 L CB 0.451 42.529 42.059 0.030 0.000 1.424 550 L HN 0.247 nan 8.230 nan 0.000 0.603 551 R N 0.552 121.083 120.500 0.051 0.000 3.516 551 R HA -0.209 4.130 4.340 -0.002 0.000 0.271 551 R C -0.034 176.273 176.300 0.011 0.000 1.098 551 R CA 0.542 56.659 56.100 0.028 0.000 0.732 551 R CB -2.598 27.710 30.300 0.013 0.000 1.152 551 R HN 0.374 nan 8.270 nan 0.000 0.455 552 D N 1.836 122.245 120.400 0.015 0.000 2.349 552 D HA -0.020 4.619 4.640 -0.002 0.000 0.266 552 D C 1.472 177.768 176.300 -0.008 0.000 1.293 552 D CA 0.314 54.312 54.000 -0.002 0.000 0.926 552 D CB 0.549 41.348 40.800 -0.001 0.000 1.090 552 D HN 0.484 nan 8.370 nan 0.000 0.502 553 E N 2.488 122.680 120.200 -0.013 0.000 2.051 553 E HA -0.167 4.182 4.350 -0.002 0.000 0.192 553 E C 1.737 178.326 176.600 -0.018 0.000 0.991 553 E CA 0.891 57.283 56.400 -0.013 0.000 0.799 553 E CB -0.315 29.378 29.700 -0.013 0.000 0.748 553 E HN 0.317 nan 8.360 nan 0.000 0.449 554 V N 1.998 121.898 119.914 -0.023 0.000 2.231 554 V HA -0.246 3.873 4.120 -0.002 0.000 0.248 554 V C 2.692 178.767 176.094 -0.032 0.000 1.054 554 V CA 2.209 64.491 62.300 -0.030 0.000 1.015 554 V CB -1.514 30.286 31.823 -0.038 0.000 0.638 554 V HN 0.524 nan 8.190 nan 0.000 0.444 555 G N 0.167 108.949 108.800 -0.031 0.000 2.459 555 G HA2 -0.178 3.781 3.960 -0.002 0.000 0.217 555 G HA3 -0.178 3.781 3.960 -0.002 0.000 0.217 555 G C 1.644 176.528 174.900 -0.025 0.000 1.183 555 G CA 1.169 46.252 45.100 -0.029 0.000 0.776 555 G HN 0.640 nan 8.290 nan 0.000 0.552 556 G N 0.849 109.638 108.800 -0.018 0.000 2.514 556 G HA2 -0.340 3.619 3.960 -0.002 0.000 0.217 556 G HA3 -0.340 3.619 3.960 -0.002 0.000 0.217 556 G C 1.759 176.648 174.900 -0.018 0.000 1.198 556 G CA 1.548 46.635 45.100 -0.022 0.000 0.780 556 G HN 0.588 nan 8.290 nan 0.000 0.565 557 R N 0.816 121.307 120.500 -0.013 0.000 2.162 557 R HA -0.200 4.139 4.340 -0.002 0.000 0.245 557 R C 2.732 179.026 176.300 -0.009 0.000 1.129 557 R CA 2.584 58.681 56.100 -0.006 0.000 0.940 557 R CB -0.821 29.473 30.300 -0.011 0.000 0.875 557 R HN 0.310 nan 8.270 nan 0.000 0.437 558 A N 0.231 123.034 122.820 -0.029 0.000 1.940 558 A HA -0.089 4.230 4.320 -0.002 0.000 0.219 558 A C 1.832 179.388 177.584 -0.047 0.000 1.176 558 A CA 1.703 53.711 52.037 -0.047 0.000 0.631 558 A CB -0.324 18.633 19.000 -0.073 0.000 0.814 558 A HN 0.348 nan 8.150 nan 0.000 0.446 559 V N -2.735 117.157 119.914 -0.038 0.000 3.189 559 V HA 0.200 4.319 4.120 -0.002 0.000 0.366 559 V C 0.174 176.280 176.094 0.020 0.000 1.313 559 V CA -0.042 62.240 62.300 -0.030 0.000 1.302 559 V CB -1.441 30.350 31.823 -0.055 0.000 1.260 559 V HN 0.562 nan 8.190 nan 0.000 0.484 560 N N -0.178 118.552 118.700 0.049 0.000 2.681 560 N HA -0.230 4.509 4.740 -0.002 0.000 0.250 560 N C 0.685 176.239 175.510 0.072 0.000 1.133 560 N CA 1.104 54.222 53.050 0.114 0.000 0.732 560 N CB -0.853 37.765 38.487 0.217 0.000 1.107 560 N HN 0.471 nan 8.380 nan 0.000 0.559 561 L N 0.206 121.439 121.223 0.016 0.000 2.156 561 L HA 0.126 4.465 4.340 -0.002 0.000 0.208 561 L C 1.225 178.086 176.870 -0.015 0.000 1.095 561 L CA 1.197 56.023 54.840 -0.023 0.000 0.770 561 L CB -0.022 42.004 42.059 -0.055 0.000 0.914 561 L HN 0.228 nan 8.230 nan 0.000 0.439 562 L N 1.566 122.793 121.223 0.007 0.000 2.326 562 L HA 0.291 4.630 4.340 -0.002 0.000 0.278 562 L C -2.025 174.868 176.870 0.039 0.000 1.092 562 L CA -1.867 52.981 54.840 0.013 0.000 0.810 562 L CB 0.821 42.889 42.059 0.015 0.000 1.153 562 L HN -0.064 nan 8.230 nan 0.000 0.439 563 P HA 0.185 nan 4.420 nan 0.000 0.276 563 P C -1.019 176.323 177.300 0.069 0.000 1.235 563 P CA -0.126 62.997 63.100 0.037 0.000 0.772 563 P CB 1.659 33.368 31.700 0.014 0.000 0.871 564 S N 1.687 117.462 115.700 0.126 0.000 2.840 564 S HA 0.271 4.740 4.470 -0.002 0.000 0.307 564 S C 0.773 175.497 174.600 0.207 0.000 1.180 564 S CA -0.549 57.740 58.200 0.149 0.000 0.846 564 S CB 1.636 64.932 63.200 0.159 0.000 1.233 564 S HN 0.523 nan 8.310 nan 0.000 0.548 565 E N 0.440 120.747 120.200 0.178 0.000 2.389 565 E HA 0.131 4.480 4.350 -0.002 0.000 0.199 565 E C 0.338 177.069 176.600 0.219 0.000 0.978 565 E CA 0.409 56.922 56.400 0.188 0.000 0.912 565 E CB 0.411 30.172 29.700 0.101 0.000 0.907 565 E HN 0.678 nan 8.360 nan 0.000 0.494 566 T N -2.427 112.190 114.554 0.105 0.000 2.924 566 T HA 0.421 4.770 4.350 -0.002 0.000 0.291 566 T C -0.155 174.276 174.700 -0.450 0.000 1.045 566 T CA -0.919 61.100 62.100 -0.135 0.000 1.015 566 T CB 1.714 70.523 68.868 -0.098 0.000 1.103 566 T HN -0.187 nan 8.240 nan 0.000 0.496 567 V N 3.814 123.245 119.914 -0.805 0.000 2.425 567 V HA 0.101 4.220 4.120 -0.002 0.000 0.276 567 V C 0.656 176.551 176.094 -0.331 0.000 1.017 567 V CA -0.103 61.673 62.300 -0.874 0.000 1.062 567 V CB -0.063 31.345 31.823 -0.692 0.000 0.997 567 V HN 0.794 nan 8.190 nan 0.000 0.476 568 Q N 3.462 123.150 119.800 -0.186 0.000 2.289 568 Q HA 0.131 4.470 4.340 -0.002 0.000 0.273 568 Q C -0.238 175.731 176.000 -0.050 0.000 1.029 568 Q CA 0.206 55.966 55.803 -0.072 0.000 0.896 568 Q CB 0.758 29.488 28.738 -0.013 0.000 1.182 568 Q HN 0.757 nan 8.270 nan 0.000 0.385 569 D N 2.277 122.655 120.400 -0.037 0.000 2.441 569 D HA 0.150 4.788 4.640 -0.002 0.000 0.231 569 D C 0.667 176.951 176.300 -0.027 0.000 1.073 569 D CA -0.414 53.592 54.000 0.009 0.000 0.850 569 D CB 0.570 41.397 40.800 0.044 0.000 1.062 569 D HN 0.415 nan 8.370 nan 0.000 0.524 570 I N 4.399 124.890 120.570 -0.131 0.000 2.202 570 I HA -0.188 3.981 4.170 -0.002 0.000 0.242 570 I C 1.085 177.091 176.117 -0.184 0.000 1.091 570 I CA 1.570 62.741 61.300 -0.216 0.000 1.368 570 I CB -0.307 37.483 38.000 -0.349 0.000 1.058 570 I HN 0.541 nan 8.210 nan 0.000 0.410 571 Y N 0.739 121.003 120.300 -0.060 0.000 2.151 571 Y HA -0.141 4.408 4.550 -0.002 0.000 0.284 571 Y C 2.594 178.451 175.900 -0.071 0.000 1.166 571 Y CA 1.296 59.352 58.100 -0.074 0.000 1.163 571 Y CB -1.694 36.724 38.460 -0.070 0.000 0.974 571 Y HN 0.228 nan 8.280 nan 0.000 0.511 572 G N 0.563 109.443 108.800 0.133 0.000 2.484 572 G HA2 -0.296 3.663 3.960 -0.002 0.000 0.215 572 G HA3 -0.296 3.663 3.960 -0.002 0.000 0.215 572 G C 1.639 176.540 174.900 0.003 0.000 1.219 572 G CA 1.124 46.253 45.100 0.049 0.000 0.791 572 G HN 0.401 nan 8.290 nan 0.000 0.550 573 I N 0.775 121.335 120.570 -0.017 0.000 2.290 573 I HA -0.222 3.947 4.170 -0.002 0.000 0.253 573 I C 2.652 178.743 176.117 -0.043 0.000 1.112 573 I CA 1.228 62.507 61.300 -0.034 0.000 1.377 573 I CB -0.094 37.879 38.000 -0.046 0.000 1.060 573 I HN 0.056 nan 8.210 nan 0.000 0.428 574 V N 0.892 120.775 119.914 -0.051 0.000 2.307 574 V HA -0.262 3.857 4.120 -0.002 0.000 0.245 574 V C 2.726 178.784 176.094 -0.060 0.000 1.045 574 V CA 1.777 64.037 62.300 -0.067 0.000 1.024 574 V CB -1.390 30.384 31.823 -0.083 0.000 0.651 574 V HN 0.607 nan 8.190 nan 0.000 0.449 575 A N 0.052 122.849 122.820 -0.037 0.000 1.908 575 A HA -0.292 4.027 4.320 -0.002 0.000 0.218 575 A C 2.254 179.821 177.584 -0.029 0.000 1.181 575 A CA 2.286 54.303 52.037 -0.034 0.000 0.627 575 A CB -0.486 18.509 19.000 -0.008 0.000 0.818 575 A HN 0.578 nan 8.150 nan 0.000 0.445 576 K N -0.034 120.353 120.400 -0.022 0.000 2.009 576 K HA -0.169 4.150 4.320 -0.002 0.000 0.210 576 K C 2.050 178.636 176.600 -0.023 0.000 1.049 576 K CA 1.820 58.097 56.287 -0.017 0.000 0.929 576 K CB -0.229 32.261 32.500 -0.017 0.000 0.714 576 K HN 0.463 nan 8.250 nan 0.000 0.440 577 K N 0.662 121.040 120.400 -0.036 0.000 2.147 577 K HA -0.109 4.210 4.320 -0.002 0.000 0.205 577 K C 2.127 178.700 176.600 -0.045 0.000 1.049 577 K CA 1.317 57.580 56.287 -0.041 0.000 0.936 577 K CB -0.195 32.272 32.500 -0.055 0.000 0.722 577 K HN -0.027 nan 8.250 nan 0.000 0.446 578 V N 2.426 122.304 119.914 -0.060 0.000 2.261 578 V HA -0.252 3.867 4.120 -0.002 0.000 0.246 578 V C 1.876 177.949 176.094 -0.035 0.000 1.047 578 V CA 1.725 63.978 62.300 -0.078 0.000 1.015 578 V CB -0.601 31.147 31.823 -0.125 0.000 0.642 578 V HN 0.350 nan 8.190 nan 0.000 0.446 579 N N 0.281 118.973 118.700 -0.013 0.000 2.272 579 N HA -0.200 4.539 4.740 -0.002 0.000 0.185 579 N C 1.763 177.291 175.510 0.030 0.000 1.014 579 N CA 1.464 54.529 53.050 0.025 0.000 0.870 579 N CB -0.192 38.312 38.487 0.028 0.000 0.975 579 N HN 0.651 nan 8.380 nan 0.000 0.433 580 E N 0.195 120.402 120.200 0.012 0.000 2.274 580 E HA -0.003 4.346 4.350 -0.002 0.000 0.194 580 E C 1.750 178.366 176.600 0.026 0.000 0.996 580 E CA 0.454 56.864 56.400 0.016 0.000 0.840 580 E CB 0.109 29.810 29.700 0.002 0.000 0.772 580 E HN 0.449 nan 8.360 nan 0.000 0.491 581 I N 0.130 120.714 120.570 0.025 0.000 2.585 581 I HA -0.133 4.036 4.170 -0.002 0.000 0.254 581 I C 2.110 178.286 176.117 0.097 0.000 1.129 581 I CA 0.486 61.812 61.300 0.043 0.000 1.455 581 I CB -0.075 37.930 38.000 0.007 0.000 1.111 581 I HN 0.046 nan 8.210 nan 0.000 0.433 582 L N 0.664 121.952 121.223 0.108 0.000 2.191 582 L HA -0.206 4.133 4.340 -0.002 0.000 0.212 582 L C 2.661 179.620 176.870 0.149 0.000 1.103 582 L CA 1.350 56.302 54.840 0.187 0.000 0.769 582 L CB -0.334 41.843 42.059 0.196 0.000 0.908 582 L HN 0.409 nan 8.230 nan 0.000 0.438 583 Q N -0.426 119.434 119.800 0.101 0.000 2.123 583 Q HA -0.128 4.211 4.340 -0.002 0.000 0.196 583 Q C 2.333 178.375 176.000 0.071 0.000 0.958 583 Q CA 1.141 56.990 55.803 0.077 0.000 0.841 583 Q CB 0.055 28.826 28.738 0.055 0.000 0.915 583 Q HN 0.478 nan 8.270 nan 0.000 0.455 584 A N 1.478 124.340 122.820 0.069 0.000 1.865 584 A HA -0.226 4.093 4.320 -0.002 0.000 0.217 584 A C 1.631 179.260 177.584 0.074 0.000 1.191 584 A CA 1.978 54.052 52.037 0.062 0.000 0.623 584 A CB -0.665 18.368 19.000 0.056 0.000 0.826 584 A HN 0.477 nan 8.150 nan 0.000 0.444 585 D N -0.275 120.189 120.400 0.106 0.000 2.347 585 D HA 0.117 4.756 4.640 -0.002 0.000 0.215 585 D C 2.000 178.349 176.300 0.082 0.000 0.976 585 D CA 0.978 55.045 54.000 0.111 0.000 0.884 585 D CB -0.109 40.801 40.800 0.185 0.000 0.915 585 D HN 0.474 nan 8.370 nan 0.000 0.526 586 A N 0.950 123.819 122.820 0.081 0.000 1.968 586 A HA -0.102 4.217 4.320 -0.002 0.000 0.217 586 A C 2.084 179.692 177.584 0.040 0.000 1.169 586 A CA 0.695 52.767 52.037 0.059 0.000 0.638 586 A CB -0.118 18.921 19.000 0.065 0.000 0.812 586 A HN 0.070 nan 8.150 nan 0.000 0.446 587 I N -0.475 120.120 120.570 0.042 0.000 2.270 587 I HA -0.030 4.139 4.170 -0.002 0.000 0.239 587 I C 1.644 177.779 176.117 0.030 0.000 1.080 587 I CA 0.910 62.230 61.300 0.032 0.000 1.383 587 I CB -1.478 36.541 38.000 0.031 0.000 1.097 587 I HN 0.298 nan 8.210 nan 0.000 0.420 588 N N 0.040 118.762 118.700 0.037 0.000 2.625 588 N HA 0.311 5.050 4.740 -0.002 0.000 0.276 588 N C 0.143 175.678 175.510 0.040 0.000 1.326 588 N CA 0.802 53.873 53.050 0.035 0.000 0.816 588 N CB 0.236 38.745 38.487 0.036 0.000 1.213 588 N HN 0.244 nan 8.380 nan 0.000 0.393 589 G N 1.117 109.947 108.800 0.049 0.000 2.915 589 G HA2 -0.209 3.750 3.960 -0.002 0.000 0.686 589 G HA3 -0.209 3.750 3.960 -0.002 0.000 0.686 589 G C 0.188 175.109 174.900 0.035 0.000 1.414 589 G CA 0.245 45.378 45.100 0.056 0.000 1.053 589 G HN 0.709 nan 8.290 nan 0.000 0.598 590 T N 0.091 114.667 114.554 0.036 0.000 2.716 590 T HA 0.383 4.732 4.350 -0.002 0.000 0.335 590 T C 0.325 175.028 174.700 0.005 0.000 1.081 590 T CA 0.975 63.088 62.100 0.022 0.000 1.073 590 T CB 0.667 69.552 68.868 0.027 0.000 0.993 590 T HN 0.712 nan 8.240 nan 0.000 0.547 591 D N 0.695 121.097 120.400 0.003 0.000 2.217 591 D HA 0.365 5.004 4.640 -0.002 0.000 0.248 591 D C 0.714 177.009 176.300 -0.009 0.000 1.008 591 D CA -0.788 53.209 54.000 -0.005 0.000 0.914 591 D CB 0.589 41.389 40.800 -0.001 0.000 1.182 591 D HN 0.464 nan 8.370 nan 0.000 0.451 592 N N 1.043 119.734 118.700 -0.016 0.000 2.257 592 N HA 0.147 4.886 4.740 -0.002 0.000 0.239 592 N C -0.176 175.329 175.510 -0.008 0.000 1.299 592 N CA 0.495 53.535 53.050 -0.017 0.000 0.848 592 N CB 0.131 38.605 38.487 -0.021 0.000 0.992 592 N HN 0.593 nan 8.380 nan 0.000 0.437 593 E N -1.417 118.779 120.200 -0.008 0.000 3.260 593 E HA 0.123 4.472 4.350 -0.002 0.000 0.328 593 E C -2.181 174.417 176.600 -0.003 0.000 1.112 593 E CA -0.228 56.170 56.400 -0.003 0.000 0.898 593 E CB 0.228 29.928 29.700 0.001 0.000 1.191 593 E HN 0.140 nan 8.360 nan 0.000 0.480 594 V N 4.349 124.261 119.914 -0.003 0.000 2.334 594 V HA 0.454 4.573 4.120 -0.002 0.000 0.267 594 V C 0.175 176.269 176.094 -0.001 0.000 1.040 594 V CA -0.597 61.701 62.300 -0.002 0.000 0.866 594 V CB 0.920 32.741 31.823 -0.004 0.000 1.019 594 V HN 0.525 nan 8.190 nan 0.000 0.468 595 V N 3.637 123.551 119.914 0.000 0.000 2.837 595 V HA 0.400 4.519 4.120 -0.002 0.000 0.310 595 V C 0.648 176.742 176.094 -0.000 0.000 1.059 595 V CA -0.448 61.853 62.300 0.001 0.000 1.004 595 V CB 2.139 33.965 31.823 0.004 0.000 1.045 595 V HN 0.847 nan 8.190 nan 0.000 0.465 596 T N 2.771 117.324 114.554 -0.001 0.000 2.817 596 T HA 0.511 4.860 4.350 -0.002 0.000 0.293 596 T C -0.414 174.284 174.700 -0.004 0.000 0.964 596 T CA -0.126 61.972 62.100 -0.003 0.000 1.085 596 T CB 0.934 69.800 68.868 -0.003 0.000 0.921 596 T HN 0.412 nan 8.240 nan 0.000 0.502 597 V N 3.736 123.647 119.914 -0.005 0.000 2.531 597 V HA 0.470 4.589 4.120 -0.002 0.000 0.301 597 V C 0.065 176.152 176.094 -0.011 0.000 1.034 597 V CA -0.905 61.391 62.300 -0.007 0.000 0.865 597 V CB 2.133 33.953 31.823 -0.005 0.000 0.995 597 V HN 0.916 nan 8.190 nan 0.000 0.424 598 T N 2.917 117.462 114.554 -0.014 0.000 2.772 598 T HA 0.298 4.647 4.350 -0.002 0.000 0.288 598 T C -0.419 174.265 174.700 -0.026 0.000 0.994 598 T CA -0.292 61.796 62.100 -0.019 0.000 0.951 598 T CB 1.118 69.975 68.868 -0.019 0.000 0.933 598 T HN 0.796 nan 8.240 nan 0.000 0.447 599 D N 1.948 122.330 120.400 -0.031 0.000 2.443 599 D HA 0.042 4.681 4.640 -0.002 0.000 0.239 599 D C 1.185 177.448 176.300 -0.063 0.000 1.136 599 D CA -0.009 53.965 54.000 -0.043 0.000 0.879 599 D CB 0.844 41.618 40.800 -0.043 0.000 1.195 599 D HN 0.345 nan 8.370 nan 0.000 0.443 600 E N 2.022 122.172 120.200 -0.083 0.000 2.427 600 E HA -0.058 4.291 4.350 -0.002 0.000 0.196 600 E C 0.592 177.092 176.600 -0.165 0.000 1.028 600 E CA 0.494 56.830 56.400 -0.108 0.000 0.864 600 E CB 0.137 29.772 29.700 -0.107 0.000 0.813 600 E HN 0.491 nan 8.360 nan 0.000 0.514 601 N N -0.674 117.909 118.700 -0.194 0.000 2.571 601 N HA 0.001 4.740 4.740 -0.002 0.000 0.195 601 N C 1.528 176.958 175.510 -0.132 0.000 1.040 601 N CA 0.693 53.593 53.050 -0.250 0.000 0.890 601 N CB -0.189 38.075 38.487 -0.371 0.000 1.233 601 N HN -0.056 nan 8.380 nan 0.000 0.435 602 T N -0.563 113.939 114.554 -0.088 0.000 3.037 602 T HA 0.226 4.575 4.350 -0.002 0.000 0.252 602 T C 1.337 176.013 174.700 -0.039 0.000 1.073 602 T CA 0.780 62.851 62.100 -0.049 0.000 1.091 602 T CB 0.147 68.996 68.868 -0.032 0.000 0.935 602 T HN 0.473 nan 8.240 nan 0.000 0.488 603 G N 2.890 111.663 108.800 -0.045 0.000 2.189 603 G HA2 -0.323 3.636 3.960 -0.002 0.000 0.267 603 G HA3 -0.323 3.636 3.960 -0.002 0.000 0.267 603 G C 0.084 174.970 174.900 -0.024 0.000 0.975 603 G CA 0.541 45.620 45.100 -0.034 0.000 0.644 603 G HN 0.762 nan 8.290 nan 0.000 0.537 604 E N 1.141 121.327 120.200 -0.022 0.000 2.465 604 E HA 0.282 4.631 4.350 -0.002 0.000 0.260 604 E C 0.260 176.851 176.600 -0.015 0.000 0.980 604 E CA -0.476 55.915 56.400 -0.016 0.000 0.927 604 E CB 0.581 30.272 29.700 -0.014 0.000 0.934 604 E HN 0.232 nan 8.360 nan 0.000 0.459 605 I N 3.115 123.678 120.570 -0.011 0.000 2.337 605 I HA 0.111 4.280 4.170 -0.002 0.000 0.291 605 I C 0.312 176.424 176.117 -0.008 0.000 1.046 605 I CA -0.135 61.159 61.300 -0.010 0.000 1.324 605 I CB 0.397 38.392 38.000 -0.008 0.000 1.409 605 I HN 0.483 nan 8.210 nan 0.000 0.494 606 S N 5.355 121.050 115.700 -0.008 0.000 2.607 606 S HA 0.488 4.957 4.470 -0.002 0.000 0.303 606 S C -0.397 174.199 174.600 -0.006 0.000 1.086 606 S CA -0.697 57.499 58.200 -0.007 0.000 0.995 606 S CB 1.638 64.833 63.200 -0.007 0.000 1.084 606 S HN 0.541 nan 8.310 nan 0.000 0.507 607 E N 2.288 122.485 120.200 -0.005 0.000 2.092 607 E HA 0.353 4.702 4.350 -0.002 0.000 0.271 607 E C -0.932 175.666 176.600 -0.004 0.000 0.919 607 E CA -0.723 55.675 56.400 -0.004 0.000 0.760 607 E CB 1.029 30.727 29.700 -0.004 0.000 1.106 607 E HN 0.170 nan 8.360 nan 0.000 0.408 608 K N 1.966 122.364 120.400 -0.004 0.000 2.345 608 K HA 0.329 4.648 4.320 -0.002 0.000 0.255 608 K C -0.914 175.684 176.600 -0.003 0.000 0.934 608 K CA -0.910 55.375 56.287 -0.003 0.000 0.801 608 K CB 2.736 35.235 32.500 -0.002 0.000 1.137 608 K HN 0.282 nan 8.250 nan 0.000 0.424 609 V N 3.695 123.606 119.914 -0.005 0.000 2.385 609 V HA 0.150 4.269 4.120 -0.002 0.000 0.269 609 V C -0.023 176.067 176.094 -0.006 0.000 1.043 609 V CA -0.521 61.775 62.300 -0.006 0.000 0.906 609 V CB 0.545 32.361 31.823 -0.010 0.000 0.995 609 V HN 0.641 nan 8.190 nan 0.000 0.467 610 K N 7.486 127.883 120.400 -0.004 0.000 2.310 610 K HA 0.374 4.693 4.320 -0.002 0.000 0.290 610 K C -0.786 175.808 176.600 -0.011 0.000 1.077 610 K CA -0.463 55.824 56.287 -0.001 0.000 0.922 610 K CB 0.402 32.905 32.500 0.006 0.000 1.057 610 K HN 0.747 nan 8.250 nan 0.000 0.479 611 L N 4.376 125.587 121.223 -0.019 0.000 2.319 611 L HA 0.284 4.623 4.340 -0.002 0.000 0.280 611 L C 1.105 177.941 176.870 -0.057 0.000 1.099 611 L CA -0.606 54.208 54.840 -0.043 0.000 0.828 611 L CB 1.091 43.115 42.059 -0.058 0.000 1.150 611 L HN 0.799 nan 8.230 nan 0.000 0.442 612 G N 0.792 109.557 108.800 -0.059 0.000 2.588 612 G HA2 0.257 4.216 3.960 -0.002 0.000 0.278 612 G HA3 0.257 4.216 3.960 -0.002 0.000 0.278 612 G C 1.057 175.875 174.900 -0.137 0.000 1.307 612 G CA 0.237 45.303 45.100 -0.057 0.000 1.016 612 G HN 0.724 nan 8.290 nan 0.000 0.503 613 T N -1.592 112.897 114.554 -0.108 0.000 2.746 613 T HA -0.145 4.204 4.350 -0.002 0.000 0.267 613 T C 2.055 176.668 174.700 -0.144 0.000 1.039 613 T CA 1.579 63.568 62.100 -0.185 0.000 1.142 613 T CB -0.225 68.691 68.868 0.080 0.000 0.866 613 T HN 0.464 nan 8.240 nan 0.000 0.444 614 K N 1.339 121.706 120.400 -0.055 0.000 2.063 614 K HA -0.026 4.293 4.320 -0.002 0.000 0.208 614 K C 2.559 179.133 176.600 -0.044 0.000 1.048 614 K CA 1.416 57.689 56.287 -0.023 0.000 0.928 614 K CB -0.448 32.047 32.500 -0.009 0.000 0.713 614 K HN 0.468 nan 8.250 nan 0.000 0.442 615 A N 0.492 123.265 122.820 -0.078 0.000 1.935 615 A HA 0.024 4.343 4.320 -0.002 0.000 0.214 615 A C 2.000 179.513 177.584 -0.118 0.000 1.178 615 A CA 0.524 52.513 52.037 -0.081 0.000 0.640 615 A CB -0.290 18.666 19.000 -0.073 0.000 0.825 615 A HN 0.200 nan 8.150 nan 0.000 0.447 616 L N -0.510 120.586 121.223 -0.212 0.000 2.017 616 L HA -0.198 4.141 4.340 -0.002 0.000 0.208 616 L C 3.126 179.948 176.870 -0.081 0.000 1.073 616 L CA 1.188 55.870 54.840 -0.264 0.000 0.745 616 L CB -0.703 40.976 42.059 -0.634 0.000 0.894 616 L HN 0.435 nan 8.230 nan 0.000 0.432 617 A N 0.466 123.257 122.820 -0.048 0.000 1.958 617 A HA -0.216 4.103 4.320 -0.002 0.000 0.221 617 A C 2.354 180.060 177.584 0.204 0.000 1.178 617 A CA 2.048 54.237 52.037 0.254 0.000 0.642 617 A CB -1.284 17.831 19.000 0.191 0.000 0.816 617 A HN 0.500 nan 8.150 nan 0.000 0.453 618 G N -1.221 107.620 108.800 0.067 0.000 2.414 618 G HA2 -0.216 3.743 3.960 -0.002 0.000 0.215 618 G HA3 -0.216 3.743 3.960 -0.002 0.000 0.215 618 G C 1.565 176.464 174.900 -0.001 0.000 1.188 618 G CA 0.917 46.036 45.100 0.032 0.000 0.783 618 G HN 0.635 nan 8.290 nan 0.000 0.537 619 Q N -0.695 119.050 119.800 -0.093 0.000 2.152 619 Q HA -0.185 4.154 4.340 -0.002 0.000 0.206 619 Q C 2.312 178.165 176.000 -0.244 0.000 0.985 619 Q CA 1.496 57.144 55.803 -0.260 0.000 0.863 619 Q CB -0.200 28.321 28.738 -0.362 0.000 0.904 619 Q HN 0.765 nan 8.270 nan 0.000 0.422 620 W N 0.462 121.853 121.300 0.152 0.000 2.418 620 W HA -0.084 4.575 4.660 -0.002 0.000 0.319 620 W C 2.016 178.642 176.519 0.179 0.000 1.183 620 W CA 0.087 57.576 57.345 0.240 0.000 1.327 620 W CB -0.410 29.218 29.460 0.279 0.000 1.163 620 W HN 0.059 nan 8.180 nan 0.000 0.479 621 L N 0.395 121.837 121.223 0.366 0.000 2.137 621 L HA -0.334 4.005 4.340 -0.002 0.000 0.213 621 L C 2.557 179.510 176.870 0.139 0.000 1.085 621 L CA 1.506 56.476 54.840 0.217 0.000 0.760 621 L CB -0.955 41.191 42.059 0.145 0.000 0.893 621 L HN 0.079 nan 8.230 nan 0.000 0.434 622 A N -1.082 121.790 122.820 0.088 0.000 1.902 622 A HA -0.282 4.037 4.320 -0.002 0.000 0.217 622 A C 2.064 179.643 177.584 -0.009 0.000 1.181 622 A CA 1.793 53.825 52.037 -0.008 0.000 0.623 622 A CB -0.780 18.161 19.000 -0.097 0.000 0.818 622 A HN 0.493 nan 8.150 nan 0.000 0.443 623 Y N -0.039 120.231 120.300 -0.049 0.000 2.090 623 Y HA 0.276 4.825 4.550 -0.002 0.000 0.274 623 Y C 1.070 177.025 175.900 0.092 0.000 1.110 623 Y CA 1.594 59.694 58.100 0.001 0.000 1.092 623 Y CB -0.428 38.131 38.460 0.165 0.000 0.992 623 Y HN 0.616 nan 8.280 nan 0.000 0.479 624 G N 0.075 108.967 108.800 0.153 0.000 2.486 624 G HA2 0.119 4.078 3.960 -0.002 0.000 0.220 624 G HA3 0.119 4.078 3.960 -0.002 0.000 0.220 624 G C -1.928 173.154 174.900 0.303 0.000 1.313 624 G CA -0.402 44.713 45.100 0.024 0.000 1.187 624 G HN 0.291 nan 8.290 nan 0.000 0.599 625 V N 3.201 123.286 119.914 0.286 0.000 2.387 625 V HA 0.624 4.743 4.120 -0.002 0.000 0.260 625 V C 1.212 177.372 176.094 0.110 0.000 1.054 625 V CA 0.978 63.408 62.300 0.217 0.000 0.967 625 V CB 0.326 32.233 31.823 0.140 0.000 1.036 625 V HN 1.141 nan 8.190 nan 0.000 0.481 626 T N 2.759 117.376 114.554 0.104 0.000 2.678 626 T HA 0.383 4.732 4.350 -0.002 0.000 0.260 626 T C 1.193 175.907 174.700 0.024 0.000 0.932 626 T CA -0.450 61.680 62.100 0.050 0.000 1.043 626 T CB 1.143 70.038 68.868 0.045 0.000 1.413 626 T HN 0.525 nan 8.240 nan 0.000 0.568 627 R N 0.388 120.895 120.500 0.012 0.000 2.280 627 R HA 0.093 4.432 4.340 -0.002 0.000 0.207 627 R C 1.606 177.888 176.300 -0.029 0.000 1.043 627 R CA 1.167 57.273 56.100 0.009 0.000 1.006 627 R CB -0.704 29.607 30.300 0.017 0.000 0.885 627 R HN 0.426 nan 8.270 nan 0.000 0.467 628 S N 0.591 116.280 115.700 -0.018 0.000 2.515 628 S HA 0.009 4.478 4.470 -0.002 0.000 0.231 628 S C 1.653 176.243 174.600 -0.016 0.000 0.987 628 S CA 0.809 58.994 58.200 -0.025 0.000 0.936 628 S CB 0.341 63.555 63.200 0.024 0.000 0.766 628 S HN 0.185 nan 8.310 nan 0.000 0.528 629 V N 1.477 121.382 119.914 -0.015 0.000 2.922 629 V HA -0.032 4.087 4.120 -0.002 0.000 0.242 629 V C 2.488 178.518 176.094 -0.106 0.000 1.094 629 V CA 1.581 63.846 62.300 -0.058 0.000 1.106 629 V CB -0.769 31.002 31.823 -0.088 0.000 0.799 629 V HN 0.595 nan 8.190 nan 0.000 0.474 630 T N -2.328 112.169 114.554 -0.095 0.000 3.023 630 T HA -0.082 4.267 4.350 -0.002 0.000 0.266 630 T C 1.836 176.515 174.700 -0.036 0.000 1.093 630 T CA 0.688 62.718 62.100 -0.116 0.000 1.129 630 T CB -0.029 68.780 68.868 -0.098 0.000 0.899 630 T HN 0.163 nan 8.240 nan 0.000 0.491 631 K N 1.642 122.043 120.400 0.002 0.000 1.981 631 K HA -0.212 4.107 4.320 -0.002 0.000 0.228 631 K C 2.446 179.077 176.600 0.052 0.000 1.050 631 K CA 1.817 58.111 56.287 0.011 0.000 1.001 631 K CB -0.458 31.866 32.500 -0.294 0.000 0.738 631 K HN 0.145 nan 8.250 nan 0.000 0.447 632 R N 0.579 121.060 120.500 -0.032 0.000 2.136 632 R HA -0.128 4.211 4.340 -0.002 0.000 0.242 632 R C 2.587 178.888 176.300 0.002 0.000 1.131 632 R CA 2.215 58.312 56.100 -0.005 0.000 0.937 632 R CB -1.136 29.155 30.300 -0.015 0.000 0.863 632 R HN 0.298 nan 8.270 nan 0.000 0.435 633 S N -0.557 115.091 115.700 -0.087 0.000 2.374 633 S HA -0.160 4.309 4.470 -0.002 0.000 0.227 633 S C 1.925 176.414 174.600 -0.185 0.000 1.037 633 S CA 1.431 59.497 58.200 -0.223 0.000 1.024 633 S CB -0.466 62.310 63.200 -0.707 0.000 0.861 633 S HN 0.283 nan 8.310 nan 0.000 0.456 634 V N 3.394 123.229 119.914 -0.131 0.000 2.346 634 V HA -0.094 4.025 4.120 -0.002 0.000 0.244 634 V C 2.172 178.248 176.094 -0.030 0.000 1.037 634 V CA 1.911 64.161 62.300 -0.083 0.000 1.029 634 V CB -0.576 31.169 31.823 -0.129 0.000 0.663 634 V HN 0.698 nan 8.190 nan 0.000 0.454 635 M N 1.027 120.658 119.600 0.051 0.000 2.346 635 M HA -0.101 4.378 4.480 -0.002 0.000 0.263 635 M C 1.620 177.848 176.300 -0.120 0.000 1.064 635 M CA 2.526 57.839 55.300 0.021 0.000 1.083 635 M CB -1.364 31.354 32.600 0.197 0.000 1.399 635 M HN 0.562 nan 8.290 nan 0.000 0.435 636 T N -1.782 112.723 114.554 -0.082 0.000 3.223 636 T HA 0.223 4.572 4.350 -0.002 0.000 0.259 636 T C 1.224 175.892 174.700 -0.054 0.000 1.015 636 T CA -0.394 61.594 62.100 -0.186 0.000 0.908 636 T CB -0.099 68.777 68.868 0.014 0.000 1.054 636 T HN 0.329 nan 8.240 nan 0.000 0.567 637 L N 1.588 122.817 121.223 0.011 0.000 2.141 637 L HA 0.351 4.690 4.340 -0.002 0.000 0.209 637 L C 2.594 179.525 176.870 0.101 0.000 1.094 637 L CA 1.586 56.518 54.840 0.153 0.000 0.763 637 L CB -1.047 41.103 42.059 0.152 0.000 0.908 637 L HN 0.423 nan 8.230 nan 0.000 0.437 638 A N -1.703 121.099 122.820 -0.031 0.000 2.178 638 A HA -0.165 4.154 4.320 -0.002 0.000 0.218 638 A C 1.122 178.826 177.584 0.199 0.000 1.157 638 A CA 1.241 53.315 52.037 0.061 0.000 0.689 638 A CB -0.747 18.230 19.000 -0.038 0.000 0.787 638 A HN 0.568 nan 8.150 nan 0.000 0.465 639 Y N -1.726 118.666 120.300 0.152 0.000 2.584 639 Y HA 0.442 4.991 4.550 -0.002 0.000 0.254 639 Y C 1.680 177.631 175.900 0.084 0.000 1.177 639 Y CA -0.511 57.649 58.100 0.101 0.000 1.216 639 Y CB -0.158 38.349 38.460 0.078 0.000 1.172 639 Y HN 0.340 nan 8.280 nan 0.000 0.529 640 G N -0.384 108.540 108.800 0.207 0.000 2.352 640 G HA2 -0.258 3.700 3.960 -0.002 0.000 0.204 640 G HA3 -0.258 3.700 3.960 -0.002 0.000 0.204 640 G C 0.466 175.389 174.900 0.037 0.000 1.004 640 G CA -0.076 45.096 45.100 0.120 0.000 0.648 640 G HN 0.431 nan 8.290 nan 0.000 0.491 641 S N 0.599 116.322 115.700 0.038 0.000 2.573 641 S HA 0.661 5.130 4.470 -0.002 0.000 0.277 641 S C 0.534 174.944 174.600 -0.316 0.000 1.346 641 S CA 1.088 59.214 58.200 -0.125 0.000 1.034 641 S CB 1.874 65.055 63.200 -0.030 0.000 0.879 641 S HN 0.739 nan 8.310 nan 0.000 0.528 642 K N 1.207 121.128 120.400 -0.798 0.000 2.071 642 K HA 0.295 4.614 4.320 -0.002 0.000 0.308 642 K C 1.470 176.732 176.600 -2.232 0.000 0.953 642 K CA -0.536 54.932 56.287 -1.365 0.000 0.746 642 K CB -0.199 31.679 32.500 -1.036 0.000 3.469 642 K HN 0.693 nan 8.250 nan 0.000 1.213 643 E N 0.948 119.881 120.200 -2.112 0.000 2.005 643 E HA -0.137 4.212 4.350 -0.002 0.000 0.191 643 E C 1.827 177.977 176.600 -0.749 0.000 0.987 643 E CA 1.071 56.626 56.400 -1.410 0.000 0.814 643 E CB -0.181 28.797 29.700 -1.202 0.000 0.772 643 E HN 0.349 nan 8.360 nan 0.000 0.453 644 F N 1.207 120.786 119.950 -0.618 0.000 2.225 644 F HA -0.119 4.407 4.527 -0.002 0.000 0.302 644 F C 1.780 177.385 175.800 -0.326 0.000 1.068 644 F CA 1.960 59.744 58.000 -0.361 0.000 1.327 644 F CB -0.564 38.273 39.000 -0.270 0.000 1.043 644 F HN 0.160 nan 8.300 nan 0.000 0.506 645 G N -0.559 107.912 108.800 -0.548 0.000 2.394 645 G HA2 -0.237 3.722 3.960 -0.002 0.000 0.215 645 G HA3 -0.237 3.722 3.960 -0.002 0.000 0.215 645 G C 1.497 176.207 174.900 -0.316 0.000 1.165 645 G CA 0.645 45.473 45.100 -0.454 0.000 0.784 645 G HN 0.327 nan 8.290 nan 0.000 0.535 646 F N 1.689 121.489 119.950 -0.250 0.000 2.236 646 F HA -0.011 4.515 4.527 -0.002 0.000 0.302 646 F C 2.580 178.256 175.800 -0.207 0.000 1.073 646 F CA 0.424 58.314 58.000 -0.183 0.000 1.336 646 F CB -0.797 38.124 39.000 -0.132 0.000 1.040 646 F HN 0.076 nan 8.300 nan 0.000 0.507 647 R N 0.192 120.614 120.500 -0.130 0.000 2.325 647 R HA -0.291 4.048 4.340 -0.002 0.000 0.208 647 R C 2.055 178.269 176.300 -0.144 0.000 1.043 647 R CA 1.853 57.851 56.100 -0.171 0.000 0.829 647 R CB -1.177 28.917 30.300 -0.344 0.000 0.763 647 R HN 0.075 nan 8.270 nan 0.000 0.446 648 Q N 0.829 120.497 119.800 -0.220 0.000 2.208 648 Q HA -0.330 4.009 4.340 -0.002 0.000 0.219 648 Q C 2.041 177.994 176.000 -0.079 0.000 1.027 648 Q CA 2.463 58.180 55.803 -0.143 0.000 0.925 648 Q CB -0.287 28.361 28.738 -0.150 0.000 1.006 648 Q HN 0.401 nan 8.270 nan 0.000 0.415 649 Q N -1.250 118.520 119.800 -0.050 0.000 1.948 649 Q HA -0.168 4.171 4.340 -0.002 0.000 0.205 649 Q C 2.106 178.080 176.000 -0.044 0.000 0.992 649 Q CA 2.192 57.982 55.803 -0.021 0.000 0.849 649 Q CB -0.322 28.431 28.738 0.024 0.000 0.918 649 Q HN 0.364 nan 8.270 nan 0.000 0.421 650 V N 1.635 121.516 119.914 -0.054 0.000 2.250 650 V HA -0.294 3.825 4.120 -0.002 0.000 0.250 650 V C 2.247 178.296 176.094 -0.076 0.000 1.060 650 V CA 1.634 63.889 62.300 -0.075 0.000 1.030 650 V CB -0.916 30.855 31.823 -0.086 0.000 0.643 650 V HN 0.472 nan 8.190 nan 0.000 0.445 651 L N 0.915 122.092 121.223 -0.077 0.000 2.197 651 L HA -0.203 4.136 4.340 -0.002 0.000 0.215 651 L C 2.396 179.210 176.870 -0.093 0.000 1.095 651 L CA 2.834 57.615 54.840 -0.100 0.000 0.764 651 L CB -0.655 41.351 42.059 -0.088 0.000 0.897 651 L HN 0.790 nan 8.230 nan 0.000 0.436 652 E N -2.717 117.443 120.200 -0.067 0.000 2.474 652 E HA -0.065 4.284 4.350 -0.002 0.000 0.215 652 E C 1.113 177.691 176.600 -0.037 0.000 0.867 652 E CA -0.027 56.344 56.400 -0.050 0.000 1.135 652 E CB -0.146 29.533 29.700 -0.035 0.000 1.147 652 E HN 0.278 nan 8.360 nan 0.000 0.534 653 D N 1.457 121.834 120.400 -0.039 0.000 2.234 653 D HA -0.045 4.594 4.640 -0.002 0.000 0.205 653 D C 1.708 177.991 176.300 -0.028 0.000 0.962 653 D CA 2.327 56.311 54.000 -0.028 0.000 0.855 653 D CB 0.594 41.375 40.800 -0.031 0.000 0.951 653 D HN 0.482 nan 8.370 nan 0.000 0.500 654 T N -2.992 111.528 114.554 -0.057 0.000 3.177 654 T HA 0.175 4.524 4.350 -0.002 0.000 0.262 654 T C 2.084 176.708 174.700 -0.127 0.000 0.959 654 T CA -0.215 61.843 62.100 -0.069 0.000 0.996 654 T CB -0.343 68.473 68.868 -0.088 0.000 1.185 654 T HN -0.039 nan 8.240 nan 0.000 0.486 655 I N 1.205 121.651 120.570 -0.206 0.000 2.286 655 I HA -0.024 4.145 4.170 -0.002 0.000 0.245 655 I C 2.878 178.896 176.117 -0.166 0.000 1.104 655 I CA 1.359 62.423 61.300 -0.393 0.000 1.397 655 I CB -0.240 37.394 38.000 -0.611 0.000 1.072 655 I HN 0.267 nan 8.210 nan 0.000 0.417 656 Q N 0.951 120.689 119.800 -0.103 0.000 2.083 656 Q HA -0.086 4.253 4.340 -0.002 0.000 0.198 656 Q C -0.699 175.304 176.000 0.004 0.000 0.969 656 Q CA 1.590 57.365 55.803 -0.046 0.000 0.838 656 Q CB -0.871 27.842 28.738 -0.042 0.000 0.900 656 Q HN 0.321 nan 8.270 nan 0.000 0.436 657 P HA -0.105 nan 4.420 nan 0.000 0.219 657 P C 0.539 177.895 177.300 0.093 0.000 1.150 657 P CA 1.657 64.787 63.100 0.051 0.000 0.814 657 P CB 0.040 31.768 31.700 0.047 0.000 0.787 658 A N 0.622 123.518 122.820 0.126 0.000 1.841 658 A HA -0.136 4.183 4.320 -0.002 0.000 0.214 658 A C 2.406 180.093 177.584 0.172 0.000 1.195 658 A CA 1.403 53.568 52.037 0.212 0.000 0.611 658 A CB -1.553 17.647 19.000 0.333 0.000 0.835 658 A HN 0.060 nan 8.150 nan 0.000 0.443 659 I N 0.212 120.878 120.570 0.160 0.000 2.091 659 I HA -0.294 3.875 4.170 -0.002 0.000 0.239 659 I C 1.690 177.859 176.117 0.088 0.000 1.061 659 I CA 1.804 63.176 61.300 0.120 0.000 1.317 659 I CB -0.705 37.350 38.000 0.092 0.000 1.031 659 I HN 0.293 nan 8.210 nan 0.000 0.401 660 D N 0.269 120.710 120.400 0.068 0.000 2.357 660 D HA -0.134 4.505 4.640 -0.002 0.000 0.216 660 D C 1.502 177.859 176.300 0.095 0.000 0.973 660 D CA 1.041 55.085 54.000 0.073 0.000 0.912 660 D CB -0.103 40.730 40.800 0.056 0.000 0.900 660 D HN 0.131 nan 8.370 nan 0.000 0.501 661 S N -1.289 114.468 115.700 0.095 0.000 2.537 661 S HA 0.388 4.857 4.470 -0.002 0.000 0.246 661 S C 1.379 176.032 174.600 0.089 0.000 1.036 661 S CA 0.277 58.532 58.200 0.092 0.000 1.041 661 S CB 0.103 63.359 63.200 0.094 0.000 0.799 661 S HN 0.399 nan 8.310 nan 0.000 0.456 662 G N 2.052 110.908 108.800 0.093 0.000 2.855 662 G HA2 -0.388 3.571 3.960 -0.002 0.000 0.231 662 G HA3 -0.388 3.571 3.960 -0.002 0.000 0.231 662 G C 0.632 175.575 174.900 0.071 0.000 1.242 662 G CA 1.060 46.208 45.100 0.079 0.000 0.789 662 G HN 0.571 nan 8.290 nan 0.000 0.517 663 K N 0.732 121.182 120.400 0.083 0.000 2.558 663 K HA 0.355 4.674 4.320 -0.002 0.000 0.276 663 K C 1.664 178.322 176.600 0.097 0.000 1.098 663 K CA 0.995 57.333 56.287 0.084 0.000 0.881 663 K CB -0.786 31.792 32.500 0.129 0.000 1.074 663 K HN 1.719 nan 8.250 nan 0.000 0.487 664 G N 0.217 109.080 108.800 0.104 0.000 2.258 664 G HA2 -0.229 3.730 3.960 -0.002 0.000 0.274 664 G HA3 -0.229 3.730 3.960 -0.002 0.000 0.274 664 G C 0.493 175.379 174.900 -0.023 0.000 1.021 664 G CA 0.738 45.892 45.100 0.090 0.000 0.798 664 G HN 0.430 nan 8.290 nan 0.000 0.507 665 L N -0.137 121.031 121.223 -0.090 0.000 2.492 665 L HA 0.057 4.396 4.340 -0.002 0.000 0.223 665 L C 2.978 179.754 176.870 -0.156 0.000 1.132 665 L CA 1.152 55.946 54.840 -0.077 0.000 0.850 665 L CB -0.391 41.637 42.059 -0.051 0.000 0.966 665 L HN 0.572 nan 8.230 nan 0.000 0.454 666 M N -1.777 117.625 119.600 -0.329 0.000 2.558 666 M HA 0.036 4.515 4.480 -0.002 0.000 0.255 666 M C 0.167 176.215 176.300 -0.420 0.000 1.113 666 M CA 0.993 56.059 55.300 -0.390 0.000 1.097 666 M CB -1.015 31.297 32.600 -0.481 0.000 1.426 666 M HN -0.077 nan 8.290 nan 0.000 0.488 667 F N 3.020 122.865 119.950 -0.175 0.000 2.567 667 F HA 0.336 4.862 4.527 -0.002 0.000 0.352 667 F C 1.525 177.240 175.800 -0.141 0.000 1.229 667 F CA -0.320 57.548 58.000 -0.220 0.000 1.228 667 F CB -0.616 38.243 39.000 -0.234 0.000 1.568 667 F HN 0.114 nan 8.300 nan 0.000 0.634 668 T N -0.288 114.281 114.554 0.026 0.000 2.595 668 T HA -0.164 4.185 4.350 -0.002 0.000 0.264 668 T C 0.956 175.665 174.700 0.015 0.000 1.058 668 T CA 1.189 63.291 62.100 0.003 0.000 1.166 668 T CB -0.061 68.794 68.868 -0.022 0.000 0.863 668 T HN 0.214 nan 8.240 nan 0.000 0.415 669 Q N 1.158 120.965 119.800 0.011 0.000 2.509 669 Q HA 0.300 4.639 4.340 -0.002 0.000 0.236 669 Q C -2.044 173.952 176.000 -0.007 0.000 1.073 669 Q CA -2.438 53.366 55.803 0.002 0.000 0.867 669 Q CB 1.217 29.955 28.738 -0.000 0.000 1.181 669 Q HN 0.218 nan 8.270 nan 0.000 0.526 670 P HA -0.225 nan 4.420 nan 0.000 0.217 670 P C 0.775 178.030 177.300 -0.075 0.000 1.162 670 P CA 1.433 64.471 63.100 -0.103 0.000 0.901 670 P CB 0.456 32.096 31.700 -0.101 0.000 0.793 671 N N -1.293 117.387 118.700 -0.033 0.000 2.205 671 N HA -0.156 4.583 4.740 -0.002 0.000 0.186 671 N C 1.741 177.273 175.510 0.037 0.000 1.015 671 N CA 1.085 54.131 53.050 -0.005 0.000 0.862 671 N CB -0.527 37.960 38.487 0.000 0.000 0.986 671 N HN 0.349 nan 8.380 nan 0.000 0.429 672 Q N -0.382 119.445 119.800 0.046 0.000 2.123 672 Q HA 0.085 4.424 4.340 -0.002 0.000 0.199 672 Q C 2.026 178.130 176.000 0.174 0.000 0.966 672 Q CA 1.136 56.992 55.803 0.088 0.000 0.845 672 Q CB -0.054 28.715 28.738 0.052 0.000 0.907 672 Q HN 0.405 nan 8.270 nan 0.000 0.439 673 A N 1.593 124.497 122.820 0.139 0.000 1.835 673 A HA -0.141 4.178 4.320 -0.002 0.000 0.215 673 A C 2.357 180.233 177.584 0.487 0.000 1.199 673 A CA 1.668 53.858 52.037 0.255 0.000 0.615 673 A CB -1.170 17.774 19.000 -0.094 0.000 0.838 673 A HN 0.377 nan 8.150 nan 0.000 0.444 674 A N -0.588 122.372 122.820 0.233 0.000 1.869 674 A HA -0.050 4.269 4.320 -0.002 0.000 0.218 674 A C 2.529 180.202 177.584 0.149 0.000 1.203 674 A CA 2.626 54.766 52.037 0.171 0.000 0.638 674 A CB -1.712 17.295 19.000 0.012 0.000 0.831 674 A HN 0.992 nan 8.150 nan 0.000 0.450 675 G N -1.952 106.922 108.800 0.123 0.000 2.469 675 G HA2 -0.306 3.653 3.960 -0.002 0.000 0.219 675 G HA3 -0.306 3.653 3.960 -0.002 0.000 0.219 675 G C 1.513 176.520 174.900 0.178 0.000 1.150 675 G CA 1.483 46.648 45.100 0.108 0.000 0.763 675 G HN 0.601 nan 8.290 nan 0.000 0.561 676 Y N 0.815 121.210 120.300 0.157 0.000 2.014 676 Y HA -0.227 4.322 4.550 -0.002 0.000 0.270 676 Y C 2.804 178.783 175.900 0.133 0.000 1.145 676 Y CA 2.370 60.581 58.100 0.186 0.000 1.106 676 Y CB -0.666 37.976 38.460 0.304 0.000 0.968 676 Y HN 0.217 nan 8.280 nan 0.000 0.484 677 M N 0.900 120.528 119.600 0.047 0.000 2.103 677 M HA -0.297 4.182 4.480 -0.002 0.000 0.255 677 M C 2.203 178.356 176.300 -0.246 0.000 1.074 677 M CA 2.248 57.332 55.300 -0.359 0.000 1.090 677 M CB -1.406 30.881 32.600 -0.523 0.000 1.325 677 M HN 0.443 nan 8.290 nan 0.000 0.403 678 A N -0.252 122.525 122.820 -0.072 0.000 1.859 678 A HA -0.333 3.986 4.320 -0.002 0.000 0.218 678 A C 2.186 179.821 177.584 0.086 0.000 1.242 678 A CA 2.865 54.931 52.037 0.047 0.000 0.661 678 A CB -1.236 17.786 19.000 0.036 0.000 0.842 678 A HN 0.551 nan 8.150 nan 0.000 0.455 679 K N -0.786 119.637 120.400 0.039 0.000 2.127 679 K HA -0.217 4.101 4.320 -0.002 0.000 0.212 679 K C 1.587 178.208 176.600 0.035 0.000 1.050 679 K CA 1.930 58.267 56.287 0.083 0.000 0.929 679 K CB -0.637 31.874 32.500 0.018 0.000 0.715 679 K HN 0.376 nan 8.250 nan 0.000 0.457 680 L N 0.321 121.444 121.223 -0.167 0.000 1.937 680 L HA -0.127 4.212 4.340 -0.002 0.000 0.213 680 L C 2.242 179.067 176.870 -0.076 0.000 1.077 680 L CA 1.889 56.612 54.840 -0.195 0.000 0.758 680 L CB -0.714 41.128 42.059 -0.362 0.000 0.888 680 L HN 0.194 nan 8.230 nan 0.000 0.433 681 I N -1.456 119.054 120.570 -0.100 0.000 2.147 681 I HA -0.461 3.708 4.170 -0.002 0.000 0.245 681 I C 2.454 178.626 176.117 0.092 0.000 1.059 681 I CA 2.131 63.378 61.300 -0.089 0.000 1.320 681 I CB -0.620 37.247 38.000 -0.222 0.000 1.021 681 I HN 0.535 nan 8.210 nan 0.000 0.415 682 W N 1.951 123.288 121.300 0.063 0.000 2.342 682 W HA -0.210 4.449 4.660 -0.002 0.000 0.297 682 W C 2.079 178.626 176.519 0.047 0.000 1.213 682 W CA 1.439 58.885 57.345 0.169 0.000 1.251 682 W CB 0.017 29.575 29.460 0.164 0.000 1.136 682 W HN 0.232 nan 8.180 nan 0.000 0.526 683 E N -0.374 119.817 120.200 -0.015 0.000 2.481 683 E HA -0.119 4.230 4.350 -0.002 0.000 0.195 683 E C 2.182 178.695 176.600 -0.145 0.000 1.047 683 E CA 1.039 57.355 56.400 -0.141 0.000 0.867 683 E CB 0.172 29.836 29.700 -0.060 0.000 0.858 683 E HN 0.182 nan 8.360 nan 0.000 0.513 684 S N -0.108 115.521 115.700 -0.118 0.000 2.468 684 S HA -0.065 4.404 4.470 -0.002 0.000 0.226 684 S C 2.205 176.726 174.600 -0.131 0.000 1.051 684 S CA 0.543 58.675 58.200 -0.113 0.000 0.943 684 S CB -0.231 62.908 63.200 -0.102 0.000 0.810 684 S HN 0.178 nan 8.310 nan 0.000 0.509 685 V N 1.550 121.380 119.914 -0.140 0.000 2.535 685 V HA 0.118 4.237 4.120 -0.002 0.000 0.246 685 V C 2.227 178.196 176.094 -0.208 0.000 1.045 685 V CA 1.351 63.567 62.300 -0.141 0.000 1.058 685 V CB -1.246 30.527 31.823 -0.083 0.000 0.689 685 V HN 0.647 nan 8.190 nan 0.000 0.461 686 S N 1.138 116.626 115.700 -0.353 0.000 2.881 686 S HA 0.104 4.573 4.470 -0.002 0.000 0.228 686 S C 1.110 175.546 174.600 -0.273 0.000 0.965 686 S CA 0.694 58.635 58.200 -0.432 0.000 0.998 686 S CB -0.318 62.405 63.200 -0.796 0.000 0.795 686 S HN 1.324 nan 8.310 nan 0.000 0.518 687 V N -4.642 115.154 119.914 -0.197 0.000 3.392 687 V HA 0.321 4.440 4.120 -0.002 0.000 0.294 687 V C 1.083 177.111 176.094 -0.110 0.000 1.561 687 V CA 0.312 62.527 62.300 -0.142 0.000 1.056 687 V CB -0.176 31.571 31.823 -0.127 0.000 0.882 687 V HN 0.355 nan 8.190 nan 0.000 0.440 688 T N 1.621 116.106 114.554 -0.114 0.000 3.087 688 T HA 0.174 4.523 4.350 -0.002 0.000 0.237 688 T C 1.029 175.679 174.700 -0.083 0.000 0.990 688 T CA 1.352 63.398 62.100 -0.090 0.000 1.160 688 T CB 0.530 69.343 68.868 -0.091 0.000 0.923 688 T HN 0.676 nan 8.240 nan 0.000 0.442 689 V N 1.797 121.656 119.914 -0.093 0.000 2.838 689 V HA 0.406 4.525 4.120 -0.002 0.000 0.356 689 V C 1.513 177.552 176.094 -0.092 0.000 1.302 689 V CA -0.548 61.708 62.300 -0.074 0.000 1.495 689 V CB -0.896 30.892 31.823 -0.058 0.000 1.505 689 V HN 0.164 nan 8.190 nan 0.000 0.574 690 V N 1.557 121.413 119.914 -0.096 0.000 2.439 690 V HA -0.305 3.814 4.120 -0.002 0.000 0.253 690 V C 2.950 178.982 176.094 -0.104 0.000 1.074 690 V CA 2.584 64.818 62.300 -0.109 0.000 1.076 690 V CB -1.206 30.562 31.823 -0.092 0.000 0.664 690 V HN 0.816 nan 8.190 nan 0.000 0.461 691 A N 0.613 123.388 122.820 -0.074 0.000 1.848 691 A HA -0.272 4.047 4.320 -0.002 0.000 0.217 691 A C 2.504 180.000 177.584 -0.145 0.000 1.220 691 A CA 2.973 54.976 52.037 -0.057 0.000 0.645 691 A CB -1.329 17.681 19.000 0.017 0.000 0.842 691 A HN 0.660 nan 8.150 nan 0.000 0.451 692 A N -1.131 121.593 122.820 -0.159 0.000 1.908 692 A HA -0.001 4.318 4.320 -0.002 0.000 0.218 692 A C 2.250 179.544 177.584 -0.484 0.000 1.181 692 A CA 2.148 53.903 52.037 -0.471 0.000 0.627 692 A CB -1.131 17.829 19.000 -0.066 0.000 0.818 692 A HN 0.489 nan 8.150 nan 0.000 0.445 693 V N 0.036 119.807 119.914 -0.237 0.000 2.216 693 V HA -0.268 3.851 4.120 -0.002 0.000 0.242 693 V C 2.427 178.418 176.094 -0.172 0.000 1.042 693 V CA 2.074 64.271 62.300 -0.172 0.000 0.991 693 V CB -1.049 30.674 31.823 -0.167 0.000 0.633 693 V HN 0.576 nan 8.190 nan 0.000 0.449 694 E N 0.269 120.385 120.200 -0.140 0.000 2.119 694 E HA -0.390 3.958 4.350 -0.002 0.000 0.221 694 E C 2.291 178.847 176.600 -0.073 0.000 1.062 694 E CA 2.173 58.521 56.400 -0.087 0.000 0.894 694 E CB -0.635 29.013 29.700 -0.086 0.000 0.785 694 E HN 0.575 nan 8.360 nan 0.000 0.472 695 A N 1.240 123.965 122.820 -0.159 0.000 1.873 695 A HA -0.216 4.103 4.320 -0.002 0.000 0.218 695 A C 2.281 179.797 177.584 -0.113 0.000 1.193 695 A CA 2.166 54.132 52.037 -0.120 0.000 0.629 695 A CB -0.706 18.165 19.000 -0.216 0.000 0.826 695 A HN 0.242 nan 8.150 nan 0.000 0.447 696 M N -0.491 118.910 119.600 -0.333 0.000 2.337 696 M HA -0.184 4.295 4.480 -0.002 0.000 0.261 696 M C 1.601 177.880 176.300 -0.035 0.000 1.067 696 M CA 1.168 56.366 55.300 -0.170 0.000 1.074 696 M CB -0.507 31.988 32.600 -0.176 0.000 1.395 696 M HN 0.456 nan 8.290 nan 0.000 0.431 697 N N -0.755 117.942 118.700 -0.004 0.000 2.251 697 N HA -0.121 4.618 4.740 -0.002 0.000 0.181 697 N C 1.166 176.714 175.510 0.063 0.000 1.019 697 N CA 0.962 54.033 53.050 0.036 0.000 0.862 697 N CB -0.314 38.204 38.487 0.052 0.000 0.992 697 N HN 0.444 nan 8.380 nan 0.000 0.429 698 W N 2.358 123.611 121.300 -0.078 0.000 2.329 698 W HA -0.047 4.611 4.660 -0.002 0.000 0.324 698 W C 1.865 178.336 176.519 -0.079 0.000 1.222 698 W CA 1.289 58.603 57.345 -0.052 0.000 1.270 698 W CB -0.679 28.751 29.460 -0.049 0.000 1.167 698 W HN -0.048 nan 8.180 nan 0.000 0.467 699 L N 0.912 122.107 121.223 -0.047 0.000 2.450 699 L HA -0.184 4.155 4.340 -0.002 0.000 0.224 699 L C 2.435 179.115 176.870 -0.316 0.000 1.149 699 L CA 1.329 55.934 54.840 -0.391 0.000 0.816 699 L CB -0.839 40.986 42.059 -0.391 0.000 0.932 699 L HN 0.108 nan 8.230 nan 0.000 0.449 700 K N -0.453 119.839 120.400 -0.180 0.000 2.242 700 K HA -0.009 4.309 4.320 -0.002 0.000 0.200 700 K C 2.074 178.577 176.600 -0.161 0.000 1.050 700 K CA 0.593 56.803 56.287 -0.130 0.000 0.981 700 K CB 0.344 32.812 32.500 -0.053 0.000 0.795 700 K HN 0.111 nan 8.250 nan 0.000 0.477 701 S N 0.689 116.274 115.700 -0.191 0.000 2.414 701 S HA 0.005 4.474 4.470 -0.002 0.000 0.227 701 S C 1.824 176.264 174.600 -0.267 0.000 1.022 701 S CA 0.835 58.928 58.200 -0.179 0.000 0.958 701 S CB 0.160 63.288 63.200 -0.121 0.000 0.797 701 S HN 0.432 nan 8.310 nan 0.000 0.493 702 A N 2.099 124.635 122.820 -0.472 0.000 1.832 702 A HA 0.247 4.566 4.320 -0.002 0.000 0.214 702 A C 2.396 179.716 177.584 -0.439 0.000 1.204 702 A CA 1.474 53.158 52.037 -0.588 0.000 0.606 702 A CB -1.459 16.886 19.000 -1.092 0.000 0.849 702 A HN 0.484 nan 8.150 nan 0.000 0.445 703 A N -0.043 122.553 122.820 -0.374 0.000 2.009 703 A HA -0.304 4.015 4.320 -0.002 0.000 0.222 703 A C 2.090 179.588 177.584 -0.144 0.000 1.175 703 A CA 2.495 54.411 52.037 -0.202 0.000 0.651 703 A CB -0.652 18.281 19.000 -0.112 0.000 0.815 703 A HN 0.626 nan 8.150 nan 0.000 0.459 704 K N -0.140 120.167 120.400 -0.155 0.000 1.971 704 K HA -0.192 4.127 4.320 -0.002 0.000 0.221 704 K C 1.967 178.509 176.600 -0.097 0.000 1.050 704 K CA 1.963 58.178 56.287 -0.120 0.000 0.967 704 K CB -0.598 31.834 32.500 -0.114 0.000 0.733 704 K HN 0.497 nan 8.250 nan 0.000 0.445 705 L N 1.103 122.274 121.223 -0.087 0.000 1.976 705 L HA -0.276 4.063 4.340 -0.002 0.000 0.223 705 L C 2.614 179.465 176.870 -0.031 0.000 1.081 705 L CA 1.657 56.473 54.840 -0.041 0.000 0.784 705 L CB -1.144 40.911 42.059 -0.007 0.000 0.896 705 L HN 0.275 nan 8.230 nan 0.000 0.438 706 L N -0.137 121.053 121.223 -0.055 0.000 2.357 706 L HA -0.227 4.112 4.340 -0.002 0.000 0.220 706 L C 2.524 179.389 176.870 -0.008 0.000 1.123 706 L CA 1.010 55.834 54.840 -0.027 0.000 0.782 706 L CB -0.749 41.259 42.059 -0.085 0.000 0.910 706 L HN 0.431 nan 8.230 nan 0.000 0.442 707 A N -0.660 122.145 122.820 -0.026 0.000 2.167 707 A HA 0.454 4.773 4.320 -0.002 0.000 0.208 707 A C 1.439 179.007 177.584 -0.026 0.000 1.198 707 A CA 0.400 52.429 52.037 -0.013 0.000 0.863 707 A CB -0.074 18.917 19.000 -0.015 0.000 0.904 707 A HN 0.240 nan 8.150 nan 0.000 0.484 708 A N 0.329 123.127 122.820 -0.038 0.000 2.504 708 A HA 0.241 4.560 4.320 -0.002 0.000 0.242 708 A C 0.480 178.046 177.584 -0.029 0.000 1.100 708 A CA 0.580 52.593 52.037 -0.041 0.000 0.786 708 A CB -0.011 18.966 19.000 -0.037 0.000 1.050 708 A HN 0.413 nan 8.150 nan 0.000 0.512 709 E N 0.828 121.007 120.200 -0.035 0.000 3.351 709 E HA 0.295 4.644 4.350 -0.002 0.000 0.220 709 E C -0.442 176.124 176.600 -0.056 0.000 1.150 709 E CA -0.461 55.918 56.400 -0.036 0.000 1.359 709 E CB 0.496 30.179 29.700 -0.028 0.000 1.365 709 E HN 0.629 nan 8.360 nan 0.000 0.434 710 V N 2.605 122.475 119.914 -0.073 0.000 2.644 710 V HA -0.096 4.023 4.120 -0.002 0.000 0.303 710 V C -0.563 175.431 176.094 -0.167 0.000 1.058 710 V CA 1.100 63.322 62.300 -0.130 0.000 1.228 710 V CB 0.197 31.905 31.823 -0.193 0.000 0.861 710 V HN 0.438 nan 8.190 nan 0.000 0.484 711 K N 4.174 124.491 120.400 -0.138 0.000 2.197 711 K HA 0.593 4.912 4.320 -0.002 0.000 0.247 711 K C -1.331 175.207 176.600 -0.104 0.000 1.077 711 K CA -0.769 55.450 56.287 -0.114 0.000 0.882 711 K CB 1.158 33.618 32.500 -0.065 0.000 1.396 711 K HN 0.731 nan 8.250 nan 0.000 0.482 712 D N 0.506 120.867 120.400 -0.066 0.000 2.471 712 D HA 0.182 4.821 4.640 -0.002 0.000 0.245 712 D C -0.662 175.623 176.300 -0.025 0.000 1.116 712 D CA -0.468 53.508 54.000 -0.040 0.000 0.853 712 D CB 1.374 42.157 40.800 -0.028 0.000 1.123 712 D HN 0.267 nan 8.370 nan 0.000 0.540 713 K N 2.410 122.798 120.400 -0.019 0.000 2.589 713 K HA 0.174 4.493 4.320 -0.002 0.000 0.204 713 K C 0.471 177.066 176.600 -0.007 0.000 1.029 713 K CA 0.308 56.587 56.287 -0.013 0.000 1.177 713 K CB 0.177 32.671 32.500 -0.011 0.000 0.902 713 K HN 0.135 nan 8.250 nan 0.000 0.501 714 K N -0.993 119.403 120.400 -0.006 0.000 2.469 714 K HA 0.219 4.538 4.320 -0.002 0.000 0.204 714 K C -0.062 176.536 176.600 -0.003 0.000 1.047 714 K CA 0.241 56.527 56.287 -0.003 0.000 1.072 714 K CB 1.435 33.935 32.500 0.001 0.000 0.863 714 K HN 0.075 nan 8.250 nan 0.000 0.530 715 T N -2.782 111.769 114.554 -0.006 0.000 3.607 715 T HA 0.084 4.433 4.350 -0.002 0.000 0.295 715 T C 0.836 175.531 174.700 -0.009 0.000 0.884 715 T CA 0.351 62.447 62.100 -0.006 0.000 1.041 715 T CB 0.757 69.621 68.868 -0.006 0.000 1.172 715 T HN 0.128 nan 8.240 nan 0.000 0.536 716 G N 2.104 110.896 108.800 -0.013 0.000 2.157 716 G HA2 -0.226 3.733 3.960 -0.002 0.000 0.248 716 G HA3 -0.226 3.733 3.960 -0.002 0.000 0.248 716 G C -0.171 174.717 174.900 -0.020 0.000 0.979 716 G CA 0.343 45.434 45.100 -0.016 0.000 0.650 716 G HN 0.635 nan 8.290 nan 0.000 0.529 717 E N 0.386 120.574 120.200 -0.020 0.000 2.290 717 E HA 0.388 4.737 4.350 -0.002 0.000 0.277 717 E C 0.421 177.001 176.600 -0.034 0.000 1.035 717 E CA -0.868 55.520 56.400 -0.020 0.000 0.873 717 E CB 0.212 29.904 29.700 -0.014 0.000 1.029 717 E HN 0.247 nan 8.360 nan 0.000 0.419 718 I N 5.651 126.202 120.570 -0.032 0.000 2.587 718 I HA -0.101 4.068 4.170 -0.002 0.000 0.284 718 I C 0.887 176.974 176.117 -0.050 0.000 1.134 718 I CA 0.486 61.759 61.300 -0.044 0.000 1.410 718 I CB 0.243 38.224 38.000 -0.031 0.000 1.392 718 I HN 0.648 nan 8.210 nan 0.000 0.545 719 L N 5.244 126.410 121.223 -0.095 0.000 2.202 719 L HA 0.215 4.553 4.340 -0.002 0.000 0.205 719 L C 1.187 178.032 176.870 -0.041 0.000 1.083 719 L CA 0.924 55.705 54.840 -0.098 0.000 0.790 719 L CB -0.223 41.665 42.059 -0.285 0.000 0.942 719 L HN 0.567 nan 8.230 nan 0.000 0.452 720 R N 0.355 120.817 120.500 -0.064 0.000 2.797 720 R HA 0.169 4.508 4.340 -0.002 0.000 0.274 720 R C -0.531 175.766 176.300 -0.005 0.000 1.652 720 R CA -0.447 55.658 56.100 0.008 0.000 1.175 720 R CB 0.598 30.938 30.300 0.067 0.000 1.283 720 R HN -0.142 nan 8.270 nan 0.000 0.513 721 K N 2.459 122.859 120.400 -0.001 0.000 2.508 721 K HA 0.005 4.324 4.320 -0.002 0.000 0.273 721 K C 0.181 176.784 176.600 0.004 0.000 0.964 721 K CA 0.338 56.623 56.287 -0.003 0.000 0.948 721 K CB 0.463 32.962 32.500 -0.002 0.000 0.917 721 K HN 0.530 nan 8.250 nan 0.000 0.512 722 R N 0.115 120.615 120.500 0.001 0.000 2.767 722 R HA -0.106 4.233 4.340 -0.002 0.000 0.264 722 R C -0.109 176.203 176.300 0.019 0.000 0.987 722 R CA 0.441 56.545 56.100 0.007 0.000 1.114 722 R CB 0.061 30.365 30.300 0.006 0.000 0.976 722 R HN 0.506 nan 8.270 nan 0.000 0.437 723 C N 0.855 120.173 119.300 0.030 0.000 2.811 723 C HA 0.452 4.911 4.460 -0.002 0.000 0.352 723 C C 0.535 175.569 174.990 0.072 0.000 1.098 723 C CA -0.569 58.478 59.018 0.048 0.000 1.295 723 C CB 1.284 29.057 27.740 0.054 0.000 1.758 723 C HN 0.939 nan 8.230 nan 0.000 0.488 724 A N 3.003 125.880 122.820 0.094 0.000 2.261 724 A HA 0.661 4.980 4.320 -0.002 0.000 0.275 724 A C -0.427 177.276 177.584 0.197 0.000 1.246 724 A CA -0.083 52.037 52.037 0.138 0.000 0.810 724 A CB 0.145 19.235 19.000 0.150 0.000 1.168 724 A HN 0.907 nan 8.150 nan 0.000 0.506 725 V N 1.162 121.246 119.914 0.284 0.000 2.376 725 V HA 0.325 4.444 4.120 -0.002 0.000 0.287 725 V C -0.187 176.223 176.094 0.528 0.000 1.015 725 V CA -0.392 62.149 62.300 0.402 0.000 0.834 725 V CB 0.895 32.992 31.823 0.456 0.000 1.001 725 V HN 0.927 nan 8.190 nan 0.000 0.428 726 H N 4.846 124.122 119.070 0.343 0.000 2.529 726 H HA 0.686 5.241 4.556 -0.001 0.000 0.348 726 H C -1.319 174.226 175.328 0.361 0.000 1.152 726 H CA -0.556 55.555 56.048 0.106 0.000 1.202 726 H CB 2.307 32.055 29.762 -0.024 0.000 1.562 726 H HN 0.793 nan 8.280 nan 0.000 0.515 727 W N 2.813 123.685 121.300 -0.715 0.000 2.989 727 W HA 0.525 5.183 4.660 -0.002 0.000 0.344 727 W C -2.492 173.745 176.519 -0.469 0.000 1.233 727 W CA -0.864 56.288 57.345 -0.322 0.000 1.187 727 W CB 0.402 30.128 29.460 0.443 0.000 1.443 727 W HN 0.303 nan 8.180 nan 0.000 0.573 728 V N 2.643 122.618 119.914 0.102 0.000 2.525 728 V HA 0.453 4.572 4.120 -0.002 0.000 0.299 728 V C 0.454 176.657 176.094 0.182 0.000 1.034 728 V CA -0.433 61.868 62.300 0.002 0.000 0.863 728 V CB 1.415 33.228 31.823 -0.017 0.000 0.999 728 V HN 0.748 nan 8.190 nan 0.000 0.423 729 T N 3.092 117.730 114.554 0.141 0.000 2.906 729 T HA 0.126 4.474 4.350 -0.002 0.000 0.320 729 T C -1.544 173.201 174.700 0.075 0.000 1.088 729 T CA -0.733 61.429 62.100 0.105 0.000 1.120 729 T CB 0.801 69.711 68.868 0.070 0.000 1.000 729 T HN 0.431 nan 8.240 nan 0.000 0.550 730 P HA -0.162 nan 4.420 nan 0.000 0.218 730 P C 0.994 178.317 177.300 0.038 0.000 1.154 730 P CA 1.559 64.672 63.100 0.021 0.000 0.872 730 P CB -0.070 31.624 31.700 -0.010 0.000 0.790 731 D N -1.762 118.665 120.400 0.045 0.000 2.690 731 D HA 0.085 4.724 4.640 -0.002 0.000 0.236 731 D C 0.962 177.286 176.300 0.039 0.000 1.218 731 D CA 0.218 54.244 54.000 0.043 0.000 0.829 731 D CB -1.029 39.796 40.800 0.041 0.000 1.009 731 D HN 0.229 nan 8.370 nan 0.000 0.482 732 G N 0.555 109.382 108.800 0.045 0.000 2.155 732 G HA2 -0.319 3.640 3.960 -0.002 0.000 0.257 732 G HA3 -0.319 3.640 3.960 -0.002 0.000 0.257 732 G C -0.199 174.702 174.900 0.002 0.000 0.983 732 G CA 0.005 45.118 45.100 0.022 0.000 0.676 732 G HN 0.498 nan 8.290 nan 0.000 0.528 733 F N 3.192 123.100 119.950 -0.070 0.000 2.391 733 F HA 0.538 5.065 4.527 -0.001 0.000 0.359 733 F C -1.747 173.970 175.800 -0.139 0.000 1.122 733 F CA -2.343 55.597 58.000 -0.099 0.000 1.120 733 F CB 1.782 40.691 39.000 -0.152 0.000 1.142 733 F HN -0.020 nan 8.300 nan 0.000 0.483 734 P HA 0.196 nan 4.420 nan 0.000 0.293 734 P C -1.266 175.777 177.300 -0.427 0.000 1.300 734 P CA -0.164 62.729 63.100 -0.345 0.000 0.792 734 P CB 2.233 33.769 31.700 -0.274 0.000 0.925 735 V N 4.485 123.845 119.914 -0.924 0.000 2.960 735 V HA 0.662 4.780 4.120 -0.002 0.000 0.315 735 V C -1.611 173.871 176.094 -1.020 0.000 1.087 735 V CA -0.910 60.928 62.300 -0.769 0.000 0.982 735 V CB 2.194 33.461 31.823 -0.926 0.000 1.039 735 V HN 0.509 nan 8.190 nan 0.000 0.437 736 W N 4.014 125.226 121.300 -0.146 0.000 2.492 736 W HA 0.392 5.050 4.660 -0.002 0.000 0.287 736 W C -0.163 176.246 176.519 -0.184 0.000 1.008 736 W CA -0.510 56.776 57.345 -0.098 0.000 1.557 736 W CB 1.362 30.758 29.460 -0.106 0.000 1.419 736 W HN 0.781 nan 8.180 nan 0.000 0.408 737 Q N 2.397 122.233 119.800 0.059 0.000 2.262 737 Q HA 0.054 4.393 4.340 -0.002 0.000 0.272 737 Q C -0.062 175.912 176.000 -0.043 0.000 1.076 737 Q CA 1.210 57.012 55.803 -0.002 0.000 0.905 737 Q CB 0.725 29.692 28.738 0.382 0.000 1.182 737 Q HN 0.438 nan 8.270 nan 0.000 0.390 738 E N 4.702 124.722 120.200 -0.299 0.000 3.191 738 E HA 0.108 4.457 4.350 -0.002 0.000 0.303 738 E C -1.465 174.999 176.600 -0.227 0.000 1.197 738 E CA -0.303 56.004 56.400 -0.154 0.000 0.901 738 E CB 0.435 30.080 29.700 -0.092 0.000 1.446 738 E HN 0.634 nan 8.360 nan 0.000 0.385 739 Y N 1.159 121.396 120.300 -0.105 0.000 2.497 739 Y HA 0.157 4.706 4.550 -0.002 0.000 0.334 739 Y C 0.660 176.506 175.900 -0.090 0.000 1.199 739 Y CA 0.530 58.554 58.100 -0.127 0.000 1.425 739 Y CB 0.657 39.078 38.460 -0.064 0.000 1.291 739 Y HN 0.074 nan 8.280 nan 0.000 0.562 740 K N 2.847 123.275 120.400 0.046 0.000 2.443 740 K HA 0.314 4.633 4.320 -0.002 0.000 0.252 740 K C -1.030 175.580 176.600 0.017 0.000 0.933 740 K CA -1.120 55.178 56.287 0.018 0.000 0.792 740 K CB 2.126 34.613 32.500 -0.022 0.000 1.185 740 K HN 0.490 nan 8.250 nan 0.000 0.425 741 K N 3.663 124.074 120.400 0.019 0.000 2.182 741 K HA 0.458 4.777 4.320 -0.002 0.000 0.262 741 K C -2.695 173.909 176.600 0.007 0.000 0.957 741 K CA -1.885 54.410 56.287 0.012 0.000 0.842 741 K CB 1.350 33.861 32.500 0.018 0.000 1.099 741 K HN 0.139 nan 8.250 nan 0.000 0.438 742 P HA 0.149 nan 4.420 nan 0.000 0.275 742 P C -0.142 177.160 177.300 0.004 0.000 1.227 742 P CA -0.197 62.907 63.100 0.006 0.000 0.781 742 P CB 0.625 32.331 31.700 0.010 0.000 0.906 743 I N 0.430 121.003 120.570 0.005 0.000 3.793 743 I HA -0.009 4.160 4.170 -0.002 0.000 0.315 743 I C 1.247 177.364 176.117 0.000 0.000 1.275 743 I CA 0.301 61.603 61.300 0.002 0.000 1.214 743 I CB -0.376 37.626 38.000 0.003 0.000 1.018 743 I HN 0.398 nan 8.210 nan 0.000 0.439 744 Q N 1.094 120.896 119.800 0.002 0.000 2.418 744 Q HA 0.359 4.698 4.340 -0.002 0.000 0.178 744 Q C -0.249 175.741 176.000 -0.017 0.000 1.141 744 Q CA 0.392 56.193 55.803 -0.002 0.000 1.190 744 Q CB 0.384 29.128 28.738 0.010 0.000 1.658 744 Q HN 0.098 nan 8.270 nan 0.000 0.626 745 T N 0.155 114.689 114.554 -0.033 0.000 3.874 745 T HA 0.201 4.550 4.350 -0.002 0.000 0.430 745 T C -1.450 173.202 174.700 -0.080 0.000 1.090 745 T CA -0.695 61.375 62.100 -0.050 0.000 1.046 745 T CB 0.305 69.149 68.868 -0.039 0.000 1.313 745 T HN 0.470 nan 8.240 nan 0.000 0.431 746 R N 2.335 122.768 120.500 -0.110 0.000 3.021 746 R HA 0.163 4.502 4.340 -0.002 0.000 0.206 746 R C -1.356 174.835 176.300 -0.181 0.000 1.593 746 R CA -0.690 55.309 56.100 -0.168 0.000 1.243 746 R CB 0.725 30.875 30.300 -0.250 0.000 1.573 746 R HN 0.417 nan 8.270 nan 0.000 0.640 747 L N 2.051 123.195 121.223 -0.131 0.000 2.295 747 L HA 0.341 4.680 4.340 -0.002 0.000 0.288 747 L C -0.054 176.748 176.870 -0.114 0.000 1.079 747 L CA -0.064 54.708 54.840 -0.113 0.000 0.830 747 L CB 0.466 42.478 42.059 -0.079 0.000 1.200 747 L HN 0.210 nan 8.230 nan 0.000 0.438 748 N N 2.893 121.517 118.700 -0.126 0.000 2.364 748 N HA 0.259 4.998 4.740 -0.002 0.000 0.264 748 N C 0.330 175.810 175.510 -0.049 0.000 1.263 748 N CA -0.475 52.517 53.050 -0.096 0.000 0.959 748 N CB 0.735 39.164 38.487 -0.097 0.000 1.204 748 N HN 0.579 nan 8.380 nan 0.000 0.550 749 L N 0.053 121.269 121.223 -0.012 0.000 2.488 749 L HA 0.325 4.663 4.340 -0.002 0.000 0.186 749 L C 0.956 177.826 176.870 -0.000 0.000 1.124 749 L CA 1.301 56.136 54.840 -0.008 0.000 0.838 749 L CB -0.427 41.638 42.059 0.009 0.000 1.107 749 L HN 0.646 nan 8.230 nan 0.000 0.494 750 M N -2.116 117.534 119.600 0.084 0.000 2.306 750 M HA 0.116 4.595 4.480 -0.002 0.000 0.292 750 M C 0.724 177.037 176.300 0.023 0.000 1.018 750 M CA 0.086 55.390 55.300 0.007 0.000 1.007 750 M CB 0.853 33.400 32.600 -0.088 0.000 1.510 750 M HN -0.031 nan 8.290 nan 0.000 0.537 751 F N -0.620 119.298 119.950 -0.053 0.000 2.453 751 F HA 0.327 4.853 4.527 -0.002 0.000 0.239 751 F C 1.119 176.922 175.800 0.005 0.000 1.013 751 F CA 0.447 58.453 58.000 0.010 0.000 1.025 751 F CB -0.229 38.799 39.000 0.047 0.000 1.214 751 F HN -0.187 nan 8.300 nan 0.000 0.681 752 L N -1.514 119.831 121.223 0.204 0.000 3.517 752 L HA 0.665 5.004 4.340 -0.002 0.000 0.192 752 L C 0.345 177.184 176.870 -0.052 0.000 1.303 752 L CA 0.140 55.025 54.840 0.074 0.000 1.685 752 L CB -0.715 41.428 42.059 0.140 0.000 1.877 752 L HN 0.241 nan 8.230 nan 0.000 0.882 753 G N 0.974 109.649 108.800 -0.207 0.000 2.980 753 G HA2 -0.012 3.947 3.960 -0.002 0.000 0.255 753 G HA3 -0.012 3.947 3.960 -0.002 0.000 0.255 753 G C -0.509 174.232 174.900 -0.265 0.000 1.020 753 G CA -0.450 44.484 45.100 -0.277 0.000 1.230 753 G HN 0.203 nan 8.290 nan 0.000 0.580 754 Q N -0.462 119.069 119.800 -0.448 0.000 3.353 754 Q HA 0.711 5.050 4.340 -0.002 0.000 0.302 754 Q C 1.470 177.230 176.000 -0.401 0.000 0.991 754 Q CA -0.635 54.994 55.803 -0.290 0.000 0.827 754 Q CB 0.207 28.906 28.738 -0.064 0.000 1.694 754 Q HN 0.883 nan 8.270 nan 0.000 0.458 755 F N 0.686 120.614 119.950 -0.037 0.000 2.503 755 F HA -0.058 4.468 4.527 -0.002 0.000 0.244 755 F C 0.560 176.345 175.800 -0.024 0.000 0.884 755 F CA 0.163 58.156 58.000 -0.012 0.000 1.108 755 F CB -0.072 38.946 39.000 0.029 0.000 0.914 755 F HN 0.421 nan 8.300 nan 0.000 0.662 767 S N 0.648 116.346 115.700 -0.004 0.000 2.537 767 S HA 0.722 5.191 4.470 -0.002 0.000 0.270 767 S C -1.000 173.598 174.600 -0.003 0.000 1.142 767 S CA -0.962 57.237 58.200 -0.002 0.000 0.870 767 S CB 2.079 65.277 63.200 -0.004 0.000 1.112 767 S HN 0.484 nan 8.310 nan 0.000 0.466 768 E N 1.272 121.473 120.200 0.002 0.000 2.277 768 E HA 0.718 5.067 4.350 -0.002 0.000 0.266 768 E C -0.861 175.747 176.600 0.014 0.000 0.901 768 E CA -1.136 55.267 56.400 0.005 0.000 0.782 768 E CB 0.775 30.478 29.700 0.006 0.000 1.228 768 E HN 0.481 nan 8.360 nan 0.000 0.424 769 I N 1.665 122.245 120.570 0.017 0.000 3.003 769 I HA -0.100 4.069 4.170 -0.002 0.000 0.294 769 I C 0.440 176.584 176.117 0.045 0.000 1.237 769 I CA 0.978 62.300 61.300 0.036 0.000 1.417 769 I CB 0.189 38.211 38.000 0.036 0.000 1.340 769 I HN 0.617 nan 8.210 nan 0.000 0.594 770 D N 4.844 125.286 120.400 0.070 0.000 2.438 770 D HA 0.352 4.991 4.640 -0.002 0.000 0.257 770 D C 0.823 177.155 176.300 0.053 0.000 1.148 770 D CA -0.169 53.870 54.000 0.066 0.000 0.902 770 D CB 1.285 42.122 40.800 0.063 0.000 1.062 770 D HN 0.665 nan 8.370 nan 0.000 0.518 771 A N 4.073 126.896 122.820 0.004 0.000 1.916 771 A HA -0.345 3.974 4.320 -0.002 0.000 0.224 771 A C 1.447 178.945 177.584 -0.144 0.000 1.366 771 A CA 2.229 54.205 52.037 -0.101 0.000 0.692 771 A CB -1.047 17.821 19.000 -0.220 0.000 0.841 771 A HN 0.804 nan 8.150 nan 0.000 0.480 772 H N -0.934 118.104 119.070 -0.053 0.000 2.274 772 H HA -0.074 4.481 4.556 -0.002 0.000 0.296 772 H C 2.150 177.392 175.328 -0.143 0.000 1.061 772 H CA 1.913 57.911 56.048 -0.083 0.000 1.226 772 H CB -0.348 29.363 29.762 -0.084 0.000 1.370 772 H HN 0.511 nan 8.280 nan 0.000 0.507 773 K N 0.164 120.521 120.400 -0.070 0.000 2.030 773 K HA -0.340 3.979 4.320 -0.002 0.000 0.222 773 K C 2.372 178.706 176.600 -0.443 0.000 1.056 773 K CA 2.139 58.161 56.287 -0.441 0.000 0.957 773 K CB -0.288 31.863 32.500 -0.581 0.000 0.727 773 K HN 0.160 nan 8.250 nan 0.000 0.452 774 Q N 0.683 120.443 119.800 -0.066 0.000 2.217 774 Q HA -0.241 4.098 4.340 -0.002 0.000 0.209 774 Q C 1.804 177.874 176.000 0.117 0.000 0.988 774 Q CA 2.062 58.013 55.803 0.247 0.000 0.878 774 Q CB -0.031 28.825 28.738 0.197 0.000 0.909 774 Q HN 0.438 nan 8.270 nan 0.000 0.424 775 E N -1.359 118.838 120.200 -0.005 0.000 2.250 775 E HA -0.099 4.250 4.350 -0.002 0.000 0.192 775 E C 1.761 178.353 176.600 -0.014 0.000 0.986 775 E CA 0.791 57.172 56.400 -0.032 0.000 0.849 775 E CB -0.066 29.580 29.700 -0.090 0.000 0.797 775 E HN 0.431 nan 8.360 nan 0.000 0.482 776 S N -0.620 115.063 115.700 -0.027 0.000 2.368 776 S HA -0.035 4.434 4.470 -0.002 0.000 0.224 776 S C 1.929 176.551 174.600 0.036 0.000 1.029 776 S CA 1.269 59.456 58.200 -0.022 0.000 0.988 776 S CB -0.074 63.074 63.200 -0.086 0.000 0.838 776 S HN 0.282 nan 8.310 nan 0.000 0.462 777 G N 0.149 109.006 108.800 0.096 0.000 2.939 777 G HA2 0.199 4.158 3.960 -0.002 0.000 0.216 777 G HA3 0.199 4.158 3.960 -0.002 0.000 0.216 777 G C 1.093 176.162 174.900 0.281 0.000 1.125 777 G CA 0.311 45.556 45.100 0.242 0.000 0.766 777 G HN 0.451 nan 8.290 nan 0.000 0.541 778 I N 2.317 123.023 120.570 0.227 0.000 2.181 778 I HA -0.275 3.893 4.170 -0.002 0.000 0.247 778 I C 2.767 178.936 176.117 0.087 0.000 1.081 778 I CA 1.708 63.086 61.300 0.129 0.000 1.340 778 I CB -0.280 37.693 38.000 -0.046 0.000 1.036 778 I HN 0.179 nan 8.210 nan 0.000 0.417 779 A N 1.245 124.133 122.820 0.113 0.000 1.841 779 A HA -0.068 4.251 4.320 -0.002 0.000 0.214 779 A C 0.196 177.960 177.584 0.301 0.000 1.195 779 A CA 2.054 54.221 52.037 0.218 0.000 0.611 779 A CB -2.236 16.884 19.000 0.200 0.000 0.835 779 A HN 0.466 nan 8.150 nan 0.000 0.443 780 P HA -0.172 nan 4.420 nan 0.000 0.214 780 P C 0.754 178.061 177.300 0.012 0.000 1.162 780 P CA 1.636 64.826 63.100 0.149 0.000 0.879 780 P CB -0.465 31.292 31.700 0.095 0.000 0.786 781 N N -1.070 117.685 118.700 0.091 0.000 2.137 781 N HA -0.185 4.554 4.740 -0.002 0.000 0.190 781 N C 1.708 177.387 175.510 0.281 0.000 1.017 781 N CA 0.713 53.869 53.050 0.176 0.000 0.859 781 N CB -0.576 38.184 38.487 0.456 0.000 1.002 781 N HN 0.076 nan 8.380 nan 0.000 0.428 782 F N 1.364 121.346 119.950 0.054 0.000 2.234 782 F HA -0.064 4.461 4.527 -0.002 0.000 0.296 782 F C 2.045 177.810 175.800 -0.059 0.000 1.089 782 F CA 0.624 58.541 58.000 -0.139 0.000 1.343 782 F CB -0.124 38.575 39.000 -0.500 0.000 1.040 782 F HN -0.187 nan 8.300 nan 0.000 0.498 783 V N -1.329 118.603 119.914 0.031 0.000 2.453 783 V HA -0.253 3.866 4.120 -0.002 0.000 0.247 783 V C 2.291 178.358 176.094 -0.045 0.000 1.048 783 V CA 2.107 64.304 62.300 -0.171 0.000 1.049 783 V CB -1.438 30.178 31.823 -0.344 0.000 0.672 783 V HN 0.392 nan 8.190 nan 0.000 0.457 784 H N 1.974 120.983 119.070 -0.103 0.000 2.267 784 H HA -0.167 4.388 4.556 -0.002 0.000 0.297 784 H C 2.722 177.941 175.328 -0.183 0.000 1.080 784 H CA 2.016 57.994 56.048 -0.118 0.000 1.278 784 H CB -0.188 29.501 29.762 -0.122 0.000 1.365 784 H HN 0.631 nan 8.280 nan 0.000 0.489 785 S N 0.779 116.457 115.700 -0.037 0.000 2.461 785 S HA -0.242 4.227 4.470 -0.002 0.000 0.246 785 S C 1.972 176.455 174.600 -0.196 0.000 1.007 785 S CA 1.592 59.712 58.200 -0.134 0.000 0.976 785 S CB -0.188 63.026 63.200 0.022 0.000 0.763 785 S HN 0.315 nan 8.310 nan 0.000 0.508 786 Q N 1.836 121.475 119.800 -0.269 0.000 2.096 786 Q HA 0.006 4.345 4.340 -0.002 0.000 0.197 786 Q C 1.777 177.583 176.000 -0.324 0.000 0.964 786 Q CA 1.703 57.319 55.803 -0.313 0.000 0.838 786 Q CB -0.321 28.192 28.738 -0.375 0.000 0.906 786 Q HN 0.900 nan 8.270 nan 0.000 0.444 787 D N -1.683 118.529 120.400 -0.314 0.000 2.183 787 D HA -0.058 4.581 4.640 -0.002 0.000 0.203 787 D C 1.748 177.978 176.300 -0.116 0.000 0.969 787 D CA 1.316 55.197 54.000 -0.200 0.000 0.842 787 D CB -0.738 40.038 40.800 -0.039 0.000 0.957 787 D HN 0.233 nan 8.370 nan 0.000 0.484 788 G N 0.176 108.879 108.800 -0.162 0.000 2.421 788 G HA2 -0.311 3.648 3.960 -0.002 0.000 0.216 788 G HA3 -0.311 3.648 3.960 -0.002 0.000 0.216 788 G C 1.717 176.536 174.900 -0.135 0.000 1.171 788 G CA 1.199 46.194 45.100 -0.174 0.000 0.775 788 G HN 0.412 nan 8.290 nan 0.000 0.543 789 S N 0.064 115.692 115.700 -0.119 0.000 2.359 789 S HA -0.294 4.175 4.470 -0.002 0.000 0.223 789 S C 2.255 176.883 174.600 0.048 0.000 1.039 789 S CA 2.024 60.198 58.200 -0.044 0.000 1.042 789 S CB -0.633 62.547 63.200 -0.033 0.000 0.915 789 S HN 0.573 nan 8.310 nan 0.000 0.439 790 H N 1.929 120.962 119.070 -0.061 0.000 2.319 790 H HA -0.081 4.474 4.556 -0.002 0.000 0.297 790 H C 2.168 177.547 175.328 0.086 0.000 1.097 790 H CA 2.146 58.197 56.048 0.004 0.000 1.285 790 H CB -1.042 28.711 29.762 -0.014 0.000 1.368 790 H HN 0.499 nan 8.280 nan 0.000 0.495 791 L N 0.398 121.617 121.223 -0.007 0.000 1.944 791 L HA -0.291 4.048 4.340 -0.002 0.000 0.218 791 L C 2.599 179.475 176.870 0.010 0.000 1.075 791 L CA 2.210 57.059 54.840 0.015 0.000 0.767 791 L CB -0.422 41.555 42.059 -0.136 0.000 0.890 791 L HN 0.266 nan 8.230 nan 0.000 0.434 792 R N 0.019 120.492 120.500 -0.044 0.000 2.133 792 R HA -0.297 4.042 4.340 -0.002 0.000 0.245 792 R C 2.422 178.724 176.300 0.003 0.000 1.137 792 R CA 2.394 58.459 56.100 -0.059 0.000 0.947 792 R CB -0.598 29.663 30.300 -0.066 0.000 0.865 792 R HN 0.414 nan 8.270 nan 0.000 0.437 793 K N -0.062 120.378 120.400 0.067 0.000 2.360 793 K HA -0.105 4.214 4.320 -0.002 0.000 0.201 793 K C 1.383 178.091 176.600 0.181 0.000 1.046 793 K CA 1.595 57.956 56.287 0.123 0.000 0.940 793 K CB 0.213 32.796 32.500 0.139 0.000 0.748 793 K HN 0.222 nan 8.250 nan 0.000 0.465 794 T N -0.769 113.868 114.554 0.137 0.000 3.033 794 T HA -0.002 4.347 4.350 -0.002 0.000 0.248 794 T C 1.756 176.531 174.700 0.125 0.000 1.040 794 T CA 0.482 62.690 62.100 0.179 0.000 1.133 794 T CB 0.019 68.894 68.868 0.012 0.000 0.895 794 T HN -0.087 nan 8.240 nan 0.000 0.465 795 V N 1.987 121.877 119.914 -0.041 0.000 2.233 795 V HA -0.232 3.887 4.120 -0.002 0.000 0.252 795 V C 2.627 178.598 176.094 -0.204 0.000 1.063 795 V CA 1.827 63.920 62.300 -0.344 0.000 1.032 795 V CB -1.041 30.545 31.823 -0.395 0.000 0.645 795 V HN 0.286 nan 8.190 nan 0.000 0.446 796 V N -0.585 119.294 119.914 -0.059 0.000 2.214 796 V HA -0.335 3.784 4.120 -0.002 0.000 0.244 796 V C 2.133 178.321 176.094 0.157 0.000 1.045 796 V CA 2.617 64.938 62.300 0.036 0.000 0.993 796 V CB -0.973 30.885 31.823 0.058 0.000 0.633 796 V HN 0.844 nan 8.190 nan 0.000 0.449 797 W N 0.924 122.256 121.300 0.054 0.000 2.276 797 W HA -0.352 4.306 4.660 -0.002 0.000 0.307 797 W C 2.151 178.783 176.519 0.188 0.000 1.240 797 W CA 2.498 59.903 57.345 0.099 0.000 1.249 797 W CB -0.203 29.317 29.460 0.100 0.000 1.140 797 W HN 0.346 nan 8.180 nan 0.000 0.519 798 A N -1.327 121.614 122.820 0.202 0.000 2.072 798 A HA -0.160 4.158 4.320 -0.002 0.000 0.216 798 A C 1.579 179.314 177.584 0.252 0.000 1.156 798 A CA 1.617 53.816 52.037 0.269 0.000 0.701 798 A CB -1.005 18.237 19.000 0.402 0.000 0.816 798 A HN 0.561 nan 8.150 nan 0.000 0.458 799 H N -0.898 118.225 119.070 0.088 0.000 2.465 799 H HA 0.166 4.721 4.556 -0.002 0.000 0.289 799 H C 1.795 177.122 175.328 -0.001 0.000 1.022 799 H CA 1.736 57.854 56.048 0.117 0.000 1.340 799 H CB 0.270 30.076 29.762 0.073 0.000 1.437 799 H HN 0.493 nan 8.280 nan 0.000 0.539 800 E N -0.687 119.487 120.200 -0.043 0.000 2.290 800 E HA 0.006 4.355 4.350 -0.002 0.000 0.197 800 E C 1.812 178.215 176.600 -0.328 0.000 0.948 800 E CA -0.053 56.259 56.400 -0.146 0.000 0.895 800 E CB 0.417 30.076 29.700 -0.068 0.000 0.865 800 E HN 0.061 nan 8.360 nan 0.000 0.486 801 K N 0.097 120.141 120.400 -0.594 0.000 2.021 801 K HA 0.009 4.328 4.320 -0.002 0.000 0.205 801 K C -0.073 176.110 176.600 -0.695 0.000 1.047 801 K CA 0.965 56.728 56.287 -0.873 0.000 0.943 801 K CB 0.123 31.578 32.500 -1.742 0.000 0.725 801 K HN 0.037 nan 8.250 nan 0.000 0.439 802 Y N -0.807 119.289 120.300 -0.340 0.000 2.419 802 Y HA 0.287 4.836 4.550 -0.002 0.000 0.328 802 Y C 1.582 177.386 175.900 -0.160 0.000 1.162 802 Y CA -0.286 57.705 58.100 -0.183 0.000 1.174 802 Y CB 1.174 39.567 38.460 -0.112 0.000 1.228 802 Y HN 0.105 nan 8.280 nan 0.000 0.473 803 G N 2.048 110.859 108.800 0.019 0.000 2.501 803 G HA2 -0.149 3.810 3.960 -0.002 0.000 0.220 803 G HA3 -0.149 3.810 3.960 -0.002 0.000 0.220 803 G C 0.570 175.422 174.900 -0.080 0.000 1.114 803 G CA -0.017 45.042 45.100 -0.068 0.000 0.757 803 G HN 0.604 nan 8.290 nan 0.000 0.559 804 I N 1.012 121.579 120.570 -0.005 0.000 3.075 804 I HA -0.105 4.064 4.170 -0.002 0.000 0.320 804 I C 1.277 177.431 176.117 0.061 0.000 1.211 804 I CA 1.139 62.413 61.300 -0.044 0.000 1.463 804 I CB 0.364 38.367 38.000 0.005 0.000 1.308 804 I HN 0.539 nan 8.210 nan 0.000 0.553 805 E N 2.141 122.276 120.200 -0.109 0.000 2.712 805 E HA 0.121 4.470 4.350 -0.002 0.000 0.221 805 E C -0.425 176.194 176.600 0.031 0.000 0.943 805 E CA -0.376 56.152 56.400 0.213 0.000 1.259 805 E CB 0.463 30.254 29.700 0.153 0.000 1.167 805 E HN 0.553 nan 8.360 nan 0.000 0.569 806 S N 0.837 116.229 115.700 -0.513 0.000 2.640 806 S HA 0.688 5.157 4.470 -0.002 0.000 0.320 806 S C -0.927 173.253 174.600 -0.699 0.000 1.097 806 S CA -0.756 57.203 58.200 -0.402 0.000 1.092 806 S CB 0.139 63.134 63.200 -0.342 0.000 0.988 806 S HN 0.153 nan 8.310 nan 0.000 0.470 807 F N 0.994 120.929 119.950 -0.025 0.000 2.540 807 F HA 0.761 5.287 4.527 -0.001 0.000 0.317 807 F C 0.260 176.141 175.800 0.135 0.000 1.104 807 F CA -1.132 56.884 58.000 0.025 0.000 0.913 807 F CB 1.934 40.961 39.000 0.045 0.000 1.170 807 F HN 0.748 nan 8.300 nan 0.000 0.450 808 A N 4.531 127.537 122.820 0.309 0.000 2.258 808 A HA 0.833 5.152 4.320 -0.002 0.000 0.316 808 A C -1.107 176.580 177.584 0.171 0.000 1.279 808 A CA -0.478 51.782 52.037 0.371 0.000 0.876 808 A CB 0.177 19.352 19.000 0.291 0.000 1.170 808 A HN 0.786 nan 8.150 nan 0.000 0.520 809 L N 3.085 124.341 121.223 0.055 0.000 2.385 809 L HA 0.613 4.952 4.340 -0.002 0.000 0.273 809 L C -0.740 175.952 176.870 -0.298 0.000 0.990 809 L CA -0.250 54.498 54.840 -0.153 0.000 0.821 809 L CB 2.014 43.959 42.059 -0.189 0.000 1.279 809 L HN 0.632 nan 8.230 nan 0.000 0.412 810 I N 2.598 122.918 120.570 -0.417 0.000 2.714 810 I HA 0.219 4.388 4.170 -0.002 0.000 0.274 810 I C 0.222 176.010 176.117 -0.548 0.000 1.261 810 I CA -0.137 60.815 61.300 -0.580 0.000 1.008 810 I CB 0.426 38.168 38.000 -0.429 0.000 1.289 810 I HN 0.822 nan 8.210 nan 0.000 0.529 811 H N 1.765 120.601 119.070 -0.389 0.000 1.452 811 H HA -0.299 4.256 4.556 -0.002 0.000 0.090 811 H C 0.429 175.496 175.328 -0.436 0.000 0.602 811 H CA 1.912 57.733 56.048 -0.379 0.000 1.901 811 H CB -0.705 28.856 29.762 -0.335 0.000 2.257 811 H HN 0.689 nan 8.280 nan 0.000 0.961 812 D N 1.831 122.105 120.400 -0.210 0.000 2.434 812 D HA 0.168 4.807 4.640 -0.002 0.000 0.232 812 D C -0.131 175.934 176.300 -0.392 0.000 1.166 812 D CA 0.688 54.534 54.000 -0.256 0.000 0.830 812 D CB 0.156 40.926 40.800 -0.050 0.000 0.960 812 D HN 0.382 nan 8.370 nan 0.000 0.497 813 S N 0.117 115.458 115.700 -0.599 0.000 2.552 813 S HA 0.609 5.078 4.470 -0.002 0.000 0.314 813 S C -0.967 173.309 174.600 -0.541 0.000 1.099 813 S CA -0.893 57.050 58.200 -0.429 0.000 1.070 813 S CB 0.335 63.376 63.200 -0.266 0.000 0.998 813 S HN 0.012 nan 8.310 nan 0.000 0.474 814 F N 2.279 122.255 119.950 0.043 0.000 2.467 814 F HA 0.808 5.334 4.527 -0.002 0.000 0.336 814 F C 0.866 176.768 175.800 0.170 0.000 1.123 814 F CA -0.484 57.579 58.000 0.105 0.000 0.964 814 F CB 2.309 41.372 39.000 0.105 0.000 1.136 814 F HN 0.924 nan 8.300 nan 0.000 0.447 815 G N 0.972 109.950 108.800 0.297 0.000 2.696 815 G HA2 0.722 4.681 3.960 -0.002 0.000 0.295 815 G HA3 0.722 4.681 3.960 -0.002 0.000 0.295 815 G C -1.440 173.507 174.900 0.079 0.000 1.398 815 G CA -0.716 44.486 45.100 0.170 0.000 0.920 815 G HN 0.607 nan 8.290 nan 0.000 0.492 816 T N 0.204 114.736 114.554 -0.036 0.000 2.718 816 T HA 0.474 4.823 4.350 -0.002 0.000 0.306 816 T C 0.330 174.932 174.700 -0.162 0.000 1.485 816 T CA -0.557 61.416 62.100 -0.212 0.000 0.997 816 T CB 0.969 69.648 68.868 -0.315 0.000 1.504 816 T HN 1.056 nan 8.240 nan 0.000 0.497 817 I N -0.245 120.207 120.570 -0.197 0.000 3.112 817 I HA 0.246 4.415 4.170 -0.002 0.000 0.284 817 I C -1.799 174.284 176.117 -0.056 0.000 1.227 817 I CA -1.548 59.674 61.300 -0.131 0.000 1.369 817 I CB 0.075 37.991 38.000 -0.140 0.000 1.376 817 I HN 0.332 nan 8.210 nan 0.000 0.608 818 P HA -0.233 nan 4.420 nan 0.000 0.217 818 P C 1.417 178.770 177.300 0.090 0.000 1.151 818 P CA 2.384 65.536 63.100 0.086 0.000 0.849 818 P CB -0.001 31.763 31.700 0.107 0.000 0.787 819 A N 0.483 123.323 122.820 0.032 0.000 1.845 819 A HA -0.202 4.117 4.320 -0.002 0.000 0.215 819 A C 1.802 179.383 177.584 -0.006 0.000 1.195 819 A CA 2.136 54.188 52.037 0.024 0.000 0.616 819 A CB -1.464 17.531 19.000 -0.008 0.000 0.832 819 A HN 0.160 nan 8.150 nan 0.000 0.443 820 D N 0.476 120.842 120.400 -0.056 0.000 2.363 820 D HA 0.148 4.787 4.640 -0.002 0.000 0.226 820 D C 1.830 178.049 176.300 -0.135 0.000 1.020 820 D CA 0.878 54.819 54.000 -0.098 0.000 0.892 820 D CB -0.373 40.343 40.800 -0.140 0.000 0.900 820 D HN 0.447 nan 8.370 nan 0.000 0.531 821 A N 1.858 124.616 122.820 -0.104 0.000 1.851 821 A HA -0.131 4.188 4.320 -0.002 0.000 0.216 821 A C 2.453 179.758 177.584 -0.466 0.000 1.195 821 A CA 2.301 54.229 52.037 -0.182 0.000 0.622 821 A CB -0.931 18.038 19.000 -0.051 0.000 0.831 821 A HN 0.272 nan 8.150 nan 0.000 0.444 822 A N 0.038 122.640 122.820 -0.363 0.000 1.986 822 A HA -0.277 4.042 4.320 -0.002 0.000 0.220 822 A C 1.878 179.274 177.584 -0.314 0.000 1.171 822 A CA 1.965 53.797 52.037 -0.341 0.000 0.640 822 A CB -0.976 18.013 19.000 -0.018 0.000 0.811 822 A HN 0.793 nan 8.150 nan 0.000 0.451 823 N N -0.658 117.865 118.700 -0.294 0.000 2.083 823 N HA -0.084 4.655 4.740 -0.002 0.000 0.190 823 N C 1.717 176.936 175.510 -0.486 0.000 1.047 823 N CA 1.145 53.941 53.050 -0.425 0.000 0.845 823 N CB -0.304 37.936 38.487 -0.412 0.000 1.025 823 N HN 0.362 nan 8.380 nan 0.000 0.428 824 L N 1.081 122.082 121.223 -0.370 0.000 2.051 824 L HA -0.209 4.130 4.340 -0.002 0.000 0.214 824 L C 2.074 178.723 176.870 -0.369 0.000 1.076 824 L CA 1.509 56.188 54.840 -0.268 0.000 0.758 824 L CB -0.656 41.326 42.059 -0.128 0.000 0.890 824 L HN 0.155 nan 8.230 nan 0.000 0.433 825 F N 0.409 119.916 119.950 -0.738 0.000 2.091 825 F HA -0.293 4.233 4.527 -0.002 0.000 0.299 825 F C 2.510 178.015 175.800 -0.492 0.000 1.103 825 F CA 2.409 59.898 58.000 -0.851 0.000 1.228 825 F CB -0.363 37.939 39.000 -1.164 0.000 0.984 825 F HN 0.108 nan 8.300 nan 0.000 0.477 826 K N 0.209 120.546 120.400 -0.106 0.000 2.025 826 K HA -0.120 4.198 4.320 -0.002 0.000 0.207 826 K C 2.311 178.844 176.600 -0.111 0.000 1.049 826 K CA 1.105 57.354 56.287 -0.064 0.000 0.933 826 K CB -0.535 31.939 32.500 -0.043 0.000 0.714 826 K HN 0.329 nan 8.250 nan 0.000 0.438 827 A N 1.233 123.981 122.820 -0.119 0.000 1.852 827 A HA -0.224 4.095 4.320 -0.002 0.000 0.217 827 A C 2.252 179.761 177.584 -0.125 0.000 1.215 827 A CA 2.778 54.881 52.037 0.110 0.000 0.641 827 A CB -1.426 17.748 19.000 0.290 0.000 0.838 827 A HN 0.279 nan 8.150 nan 0.000 0.450 828 V N -1.304 118.450 119.914 -0.267 0.000 2.252 828 V HA -0.423 3.696 4.120 -0.002 0.000 0.255 828 V C 2.344 178.302 176.094 -0.228 0.000 1.071 828 V CA 2.746 64.821 62.300 -0.376 0.000 1.050 828 V CB -1.354 30.029 31.823 -0.732 0.000 0.654 828 V HN 0.559 nan 8.190 nan 0.000 0.448 829 R N 0.343 120.668 120.500 -0.292 0.000 2.105 829 R HA -0.117 4.221 4.340 -0.002 0.000 0.239 829 R C 2.494 178.669 176.300 -0.209 0.000 1.135 829 R CA 1.985 57.938 56.100 -0.244 0.000 0.967 829 R CB -0.383 29.764 30.300 -0.255 0.000 0.861 829 R HN 0.743 nan 8.270 nan 0.000 0.442 830 E N -0.471 119.601 120.200 -0.213 0.000 2.016 830 E HA -0.162 4.187 4.350 -0.002 0.000 0.190 830 E C 2.011 178.385 176.600 -0.377 0.000 0.985 830 E CA 1.474 57.709 56.400 -0.275 0.000 0.802 830 E CB -0.352 29.168 29.700 -0.300 0.000 0.762 830 E HN 0.163 nan 8.360 nan 0.000 0.448 831 T N 0.638 114.920 114.554 -0.454 0.000 2.869 831 T HA -0.212 4.137 4.350 -0.002 0.000 0.270 831 T C 1.696 176.249 174.700 -0.245 0.000 1.082 831 T CA 1.442 63.335 62.100 -0.344 0.000 1.123 831 T CB -0.111 68.654 68.868 -0.173 0.000 0.856 831 T HN 0.016 nan 8.240 nan 0.000 0.499 832 M N 0.252 119.672 119.600 -0.300 0.000 2.095 832 M HA 0.114 4.593 4.480 -0.002 0.000 0.257 832 M C 2.153 178.251 176.300 -0.336 0.000 1.089 832 M CA 1.534 56.521 55.300 -0.522 0.000 1.138 832 M CB -0.582 31.775 32.600 -0.405 0.000 1.303 832 M HN 0.056 nan 8.290 nan 0.000 0.422 833 V N 1.047 120.819 119.914 -0.237 0.000 2.568 833 V HA -0.253 3.866 4.120 -0.002 0.000 0.253 833 V C 1.995 178.035 176.094 -0.090 0.000 1.072 833 V CA 2.035 64.250 62.300 -0.142 0.000 1.084 833 V CB -1.398 30.352 31.823 -0.122 0.000 0.676 833 V HN 0.590 nan 8.190 nan 0.000 0.469 834 D N 0.460 120.778 120.400 -0.138 0.000 2.088 834 D HA -0.167 4.472 4.640 -0.002 0.000 0.196 834 D C 2.245 178.528 176.300 -0.028 0.000 0.983 834 D CA 2.203 56.132 54.000 -0.118 0.000 0.846 834 D CB -0.424 40.243 40.800 -0.222 0.000 0.992 834 D HN 0.317 nan 8.370 nan 0.000 0.448 835 T N -0.902 113.657 114.554 0.007 0.000 2.620 835 T HA -0.249 4.100 4.350 -0.002 0.000 0.267 835 T C 1.783 176.557 174.700 0.123 0.000 1.044 835 T CA 1.713 63.867 62.100 0.090 0.000 1.161 835 T CB -0.789 68.192 68.868 0.188 0.000 0.862 835 T HN 0.321 nan 8.240 nan 0.000 0.438 836 Y N 0.952 121.199 120.300 -0.088 0.000 2.578 836 Y HA 0.078 4.627 4.550 -0.001 0.000 0.297 836 Y C 2.395 178.272 175.900 -0.039 0.000 1.176 836 Y CA 0.117 58.187 58.100 -0.051 0.000 1.315 836 Y CB -0.024 38.407 38.460 -0.049 0.000 1.031 836 Y HN 0.349 nan 8.280 nan 0.000 0.524 837 E N -0.902 119.347 120.200 0.081 0.000 2.400 837 E HA -0.019 4.330 4.350 -0.002 0.000 0.195 837 E C 1.377 177.983 176.600 0.009 0.000 1.012 837 E CA 0.588 57.007 56.400 0.032 0.000 0.875 837 E CB 0.295 30.001 29.700 0.010 0.000 0.859 837 E HN 0.293 nan 8.360 nan 0.000 0.498 838 S N -0.578 115.123 115.700 0.001 0.000 2.559 838 S HA 0.148 4.617 4.470 -0.002 0.000 0.226 838 S C 0.233 174.822 174.600 -0.018 0.000 1.030 838 S CA -0.302 57.895 58.200 -0.006 0.000 0.956 838 S CB 0.836 64.036 63.200 -0.001 0.000 0.900 838 S HN 0.083 nan 8.310 nan 0.000 0.510 839 C N 2.510 121.779 119.300 -0.051 0.000 2.446 839 C HA 0.442 4.901 4.460 -0.002 0.000 0.329 839 C C -0.253 174.666 174.990 -0.118 0.000 1.166 839 C CA -1.217 57.762 59.018 -0.066 0.000 1.341 839 C CB 1.215 28.916 27.740 -0.065 0.000 1.970 839 C HN 0.374 nan 8.230 nan 0.000 0.452 840 D N 2.349 122.713 120.400 -0.060 0.000 3.057 840 D HA 0.042 4.681 4.640 -0.002 0.000 0.246 840 D C 1.652 177.942 176.300 -0.017 0.000 1.238 840 D CA 0.103 54.066 54.000 -0.062 0.000 0.949 840 D CB 0.590 41.367 40.800 -0.039 0.000 1.086 840 D HN 0.597 nan 8.370 nan 0.000 0.487 841 V N -0.327 119.562 119.914 -0.041 0.000 2.549 841 V HA -0.321 3.798 4.120 -0.002 0.000 0.268 841 V C 1.851 178.093 176.094 0.247 0.000 1.138 841 V CA 1.229 63.598 62.300 0.116 0.000 1.133 841 V CB -0.817 31.046 31.823 0.066 0.000 0.704 841 V HN 0.301 nan 8.190 nan 0.000 0.474 842 L N 0.755 122.042 121.223 0.107 0.000 2.023 842 L HA 0.209 4.548 4.340 -0.002 0.000 0.205 842 L C 2.818 179.750 176.870 0.104 0.000 1.073 842 L CA 2.245 57.104 54.840 0.033 0.000 0.745 842 L CB -1.607 40.339 42.059 -0.189 0.000 0.900 842 L HN 0.408 nan 8.230 nan 0.000 0.435 843 A N -0.949 121.888 122.820 0.028 0.000 1.858 843 A HA -0.235 4.084 4.320 -0.002 0.000 0.216 843 A C 1.984 179.716 177.584 0.247 0.000 1.190 843 A CA 1.820 53.918 52.037 0.102 0.000 0.617 843 A CB -0.848 18.161 19.000 0.016 0.000 0.827 843 A HN 0.505 nan 8.150 nan 0.000 0.443 844 D N -1.640 118.879 120.400 0.198 0.000 2.315 844 D HA -0.160 4.479 4.640 -0.002 0.000 0.211 844 D C 1.335 177.826 176.300 0.318 0.000 0.977 844 D CA 1.312 55.438 54.000 0.211 0.000 0.894 844 D CB -0.114 40.792 40.800 0.178 0.000 0.910 844 D HN 0.547 nan 8.370 nan 0.000 0.490 845 F N -0.347 119.777 119.950 0.290 0.000 2.530 845 F HA -0.017 4.510 4.527 -0.001 0.000 0.292 845 F C 1.892 178.001 175.800 0.514 0.000 1.109 845 F CA 0.024 58.243 58.000 0.365 0.000 1.450 845 F CB -0.182 38.969 39.000 0.252 0.000 1.114 845 F HN -0.155 nan 8.300 nan 0.000 0.560 846 Y N 1.310 121.867 120.300 0.427 0.000 2.109 846 Y HA -0.226 4.323 4.550 -0.001 0.000 0.285 846 Y C 2.260 177.921 175.900 -0.398 0.000 1.131 846 Y CA 2.122 60.271 58.100 0.082 0.000 1.121 846 Y CB -0.596 38.004 38.460 0.233 0.000 0.987 846 Y HN -0.025 nan 8.280 nan 0.000 0.495 847 D N 0.130 120.428 120.400 -0.169 0.000 2.191 847 D HA -0.275 4.364 4.640 -0.002 0.000 0.190 847 D C 2.012 178.135 176.300 -0.295 0.000 1.007 847 D CA 1.710 55.584 54.000 -0.210 0.000 0.865 847 D CB -0.476 40.319 40.800 -0.009 0.000 0.929 847 D HN 0.465 nan 8.370 nan 0.000 0.447 848 Q N -0.711 118.965 119.800 -0.207 0.000 2.135 848 Q HA -0.150 4.189 4.340 -0.002 0.000 0.204 848 Q C 2.289 178.205 176.000 -0.140 0.000 0.981 848 Q CA 1.176 56.911 55.803 -0.114 0.000 0.856 848 Q CB -0.250 28.454 28.738 -0.056 0.000 0.902 848 Q HN 0.607 nan 8.270 nan 0.000 0.425 849 F N -2.601 117.081 119.950 -0.447 0.000 2.637 849 F HA 0.487 5.013 4.527 -0.002 0.000 0.284 849 F C 2.014 177.597 175.800 -0.361 0.000 1.105 849 F CA 0.289 58.069 58.000 -0.367 0.000 1.356 849 F CB -0.898 37.839 39.000 -0.437 0.000 1.096 849 F HN -0.081 nan 8.300 nan 0.000 0.616 850 A N 2.550 124.515 122.820 -1.425 0.000 1.899 850 A HA -0.412 3.907 4.320 -0.002 0.000 0.230 850 A C 1.874 179.213 177.584 -0.409 0.000 1.593 850 A CA 2.848 54.222 52.037 -1.105 0.000 0.728 850 A CB -1.725 16.597 19.000 -1.130 0.000 0.848 850 A HN 0.693 nan 8.150 nan 0.000 0.490 851 D N -0.522 119.706 120.400 -0.286 0.000 2.411 851 D HA -0.171 4.468 4.640 -0.002 0.000 0.226 851 D C 1.273 177.532 176.300 -0.070 0.000 0.988 851 D CA 1.248 55.167 54.000 -0.134 0.000 0.938 851 D CB -0.408 40.335 40.800 -0.095 0.000 0.883 851 D HN 0.788 nan 8.370 nan 0.000 0.525 852 Q N -0.019 119.753 119.800 -0.047 0.000 2.217 852 Q HA 0.224 4.563 4.340 -0.002 0.000 0.217 852 Q C 0.575 176.614 176.000 0.065 0.000 0.844 852 Q CA -0.191 55.629 55.803 0.027 0.000 0.957 852 Q CB 1.160 29.934 28.738 0.060 0.000 1.127 852 Q HN 0.314 nan 8.270 nan 0.000 0.503 853 L N 1.839 123.099 121.223 0.061 0.000 2.416 853 L HA 0.119 4.458 4.340 -0.002 0.000 0.272 853 L C 0.586 177.502 176.870 0.076 0.000 1.161 853 L CA -0.348 54.551 54.840 0.098 0.000 0.845 853 L CB -0.002 42.122 42.059 0.109 0.000 1.119 853 L HN 0.172 nan 8.230 nan 0.000 0.464 854 H N 2.085 121.173 119.070 0.030 0.000 2.895 854 H HA -0.090 4.464 4.556 -0.002 0.000 0.371 854 H C 1.081 176.421 175.328 0.021 0.000 1.219 854 H CA 0.737 56.797 56.048 0.019 0.000 1.431 854 H CB 0.699 30.470 29.762 0.015 0.000 1.414 854 H HN 0.700 nan 8.280 nan 0.000 0.617 855 E N 1.339 120.878 120.200 -1.101 0.000 2.070 855 E HA -0.263 4.086 4.350 -0.002 0.000 0.197 855 E C 1.589 178.037 176.600 -0.254 0.000 1.004 855 E CA 1.802 57.831 56.400 -0.619 0.000 0.805 855 E CB -0.236 29.076 29.700 -0.646 0.000 0.744 855 E HN 0.652 nan 8.360 nan 0.000 0.451 856 S N -0.300 115.373 115.700 -0.045 0.000 2.720 856 S HA -0.062 4.407 4.470 -0.002 0.000 0.222 856 S C 1.124 175.811 174.600 0.143 0.000 0.958 856 S CA 0.586 58.890 58.200 0.174 0.000 0.943 856 S CB -0.131 63.252 63.200 0.304 0.000 0.779 856 S HN 0.445 nan 8.310 nan 0.000 0.526 857 Q N -0.365 119.505 119.800 0.116 0.000 2.127 857 Q HA 0.392 4.731 4.340 -0.002 0.000 0.222 857 Q C 1.114 177.162 176.000 0.080 0.000 0.794 857 Q CA -0.305 55.556 55.803 0.095 0.000 1.010 857 Q CB -0.452 28.349 28.738 0.104 0.000 1.170 857 Q HN 0.396 nan 8.270 nan 0.000 0.479 858 L N 2.046 123.304 121.223 0.058 0.000 2.556 858 L HA -0.225 4.114 4.340 -0.002 0.000 0.230 858 L C 1.171 178.086 176.870 0.074 0.000 1.163 858 L CA 1.623 56.499 54.840 0.060 0.000 0.819 858 L CB -0.193 41.880 42.059 0.023 0.000 0.939 858 L HN 0.434 nan 8.230 nan 0.000 0.452 859 D N -2.383 118.057 120.400 0.066 0.000 2.514 859 D HA -0.108 4.531 4.640 -0.002 0.000 0.249 859 D C 1.760 178.100 176.300 0.066 0.000 1.036 859 D CA 0.041 54.078 54.000 0.061 0.000 0.911 859 D CB -0.365 40.462 40.800 0.044 0.000 1.145 859 D HN -0.183 nan 8.370 nan 0.000 0.495 860 K N -0.108 120.330 120.400 0.063 0.000 2.643 860 K HA 0.065 4.384 4.320 -0.002 0.000 0.193 860 K C -0.132 176.508 176.600 0.067 0.000 1.027 860 K CA -0.047 56.272 56.287 0.053 0.000 1.033 860 K CB -0.448 32.076 32.500 0.039 0.000 0.827 860 K HN 0.188 nan 8.250 nan 0.000 0.500 861 M N 2.518 122.179 119.600 0.102 0.000 2.131 861 M HA 0.248 4.727 4.480 -0.002 0.000 0.345 861 M C -2.273 174.141 176.300 0.190 0.000 1.060 861 M CA -2.962 52.427 55.300 0.148 0.000 1.011 861 M CB 1.038 33.779 32.600 0.234 0.000 1.328 861 M HN -0.182 nan 8.290 nan 0.000 0.396 862 P HA 0.113 nan 4.420 nan 0.000 0.267 862 P C -0.729 176.745 177.300 0.290 0.000 1.195 862 P CA -0.064 63.162 63.100 0.210 0.000 0.773 862 P CB 0.295 32.127 31.700 0.220 0.000 0.837 863 A N 2.217 125.115 122.820 0.131 0.000 2.313 863 A HA 0.298 4.617 4.320 -0.002 0.000 0.261 863 A C 0.154 177.674 177.584 -0.106 0.000 1.090 863 A CA -0.596 51.450 52.037 0.016 0.000 0.807 863 A CB -0.215 18.759 19.000 -0.044 0.000 1.055 863 A HN 0.532 nan 8.150 nan 0.000 0.492 864 L N 2.443 123.492 121.223 -0.290 0.000 2.559 864 L HA 0.148 4.487 4.340 -0.002 0.000 0.274 864 L C -1.480 175.191 176.870 -0.331 0.000 1.205 864 L CA -0.288 54.242 54.840 -0.517 0.000 0.907 864 L CB -0.193 41.590 42.059 -0.460 0.000 1.153 864 L HN 0.507 nan 8.230 nan 0.000 0.490 865 P HA 0.056 nan 4.420 nan 0.000 0.264 865 P C -0.672 176.535 177.300 -0.155 0.000 1.193 865 P CA -0.335 62.649 63.100 -0.193 0.000 0.763 865 P CB 0.487 32.082 31.700 -0.175 0.000 0.810 866 A N 4.573 127.329 122.820 -0.108 0.000 2.531 866 A HA 0.030 4.349 4.320 -0.002 0.000 0.236 866 A C 0.798 178.338 177.584 -0.072 0.000 1.062 866 A CA 0.145 52.131 52.037 -0.085 0.000 0.760 866 A CB -0.212 18.750 19.000 -0.063 0.000 0.995 866 A HN 0.507 nan 8.150 nan 0.000 0.501 867 K N 0.655 121.018 120.400 -0.061 0.000 2.233 867 K HA 0.434 4.753 4.320 -0.002 0.000 0.239 867 K C 0.795 177.376 176.600 -0.031 0.000 1.064 867 K CA 0.443 56.705 56.287 -0.042 0.000 0.884 867 K CB 0.420 32.899 32.500 -0.035 0.000 1.166 867 K HN 0.823 nan 8.250 nan 0.000 0.512 868 G N -0.356 108.433 108.800 -0.019 0.000 3.211 868 G HA2 0.173 4.132 3.960 -0.002 0.000 0.262 868 G HA3 0.173 4.132 3.960 -0.002 0.000 0.262 868 G C -0.445 174.448 174.900 -0.013 0.000 1.352 868 G CA -0.598 44.492 45.100 -0.017 0.000 1.004 868 G HN 0.532 nan 8.290 nan 0.000 0.559 869 N N -0.607 118.086 118.700 -0.012 0.000 2.251 869 N HA 0.179 4.918 4.740 -0.002 0.000 0.217 869 N C 0.318 175.823 175.510 -0.007 0.000 1.124 869 N CA -0.266 52.778 53.050 -0.010 0.000 0.843 869 N CB 0.469 38.949 38.487 -0.011 0.000 1.024 869 N HN 0.298 nan 8.380 nan 0.000 0.501 870 L N 1.020 122.240 121.223 -0.005 0.000 2.418 870 L HA 0.173 4.512 4.340 -0.002 0.000 0.274 870 L C -0.166 176.701 176.870 -0.004 0.000 1.135 870 L CA -0.253 54.584 54.840 -0.005 0.000 0.870 870 L CB 0.341 42.399 42.059 -0.002 0.000 1.154 870 L HN 0.088 nan 8.230 nan 0.000 0.462 871 N N 4.637 123.332 118.700 -0.008 0.000 2.469 871 N HA 0.179 4.918 4.740 -0.002 0.000 0.239 871 N C 0.954 176.454 175.510 -0.015 0.000 1.053 871 N CA -0.398 52.647 53.050 -0.008 0.000 0.937 871 N CB 0.729 39.211 38.487 -0.008 0.000 1.163 871 N HN 0.686 nan 8.380 nan 0.000 0.509 872 L N 1.848 123.062 121.223 -0.014 0.000 2.197 872 L HA -0.198 4.140 4.340 -0.002 0.000 0.215 872 L C 1.950 178.796 176.870 -0.041 0.000 1.095 872 L CA 0.832 55.654 54.840 -0.030 0.000 0.764 872 L CB -0.364 41.687 42.059 -0.014 0.000 0.897 872 L HN 0.514 nan 8.230 nan 0.000 0.436 873 R N 0.232 120.714 120.500 -0.029 0.000 2.285 873 R HA -0.095 4.244 4.340 -0.002 0.000 0.213 873 R C 1.442 177.726 176.300 -0.028 0.000 1.068 873 R CA 0.742 56.825 56.100 -0.029 0.000 1.004 873 R CB -0.507 29.783 30.300 -0.018 0.000 0.873 873 R HN 0.476 nan 8.270 nan 0.000 0.467 874 D N 0.586 120.970 120.400 -0.028 0.000 2.162 874 D HA -0.034 4.605 4.640 -0.002 0.000 0.203 874 D C 1.964 178.243 176.300 -0.035 0.000 0.967 874 D CA 0.580 54.566 54.000 -0.023 0.000 0.840 874 D CB -0.065 40.725 40.800 -0.017 0.000 0.972 874 D HN 0.172 nan 8.370 nan 0.000 0.482 875 I N 1.067 121.603 120.570 -0.056 0.000 2.290 875 I HA -0.284 3.885 4.170 -0.002 0.000 0.253 875 I C 2.062 178.125 176.117 -0.090 0.000 1.112 875 I CA 0.854 62.103 61.300 -0.085 0.000 1.377 875 I CB -0.238 37.691 38.000 -0.118 0.000 1.060 875 I HN -0.005 nan 8.210 nan 0.000 0.428 876 L N -0.083 121.099 121.223 -0.068 0.000 2.633 876 L HA -0.125 4.214 4.340 -0.002 0.000 0.235 876 L C 1.506 178.374 176.870 -0.004 0.000 1.163 876 L CA 0.909 55.720 54.840 -0.048 0.000 0.859 876 L CB -0.297 41.744 42.059 -0.030 0.000 0.973 876 L HN 0.269 nan 8.230 nan 0.000 0.451 877 E N -1.873 118.323 120.200 -0.006 0.000 2.641 877 E HA 0.070 4.419 4.350 -0.002 0.000 0.224 877 E C 0.399 177.007 176.600 0.012 0.000 0.951 877 E CA -0.169 56.245 56.400 0.022 0.000 1.102 877 E CB 0.943 30.651 29.700 0.014 0.000 1.091 877 E HN 0.070 nan 8.360 nan 0.000 0.507 878 S N 0.899 116.587 115.700 -0.020 0.000 2.481 878 S HA 0.028 4.497 4.470 -0.002 0.000 0.276 878 S C 0.554 175.116 174.600 -0.063 0.000 1.247 878 S CA -0.366 57.812 58.200 -0.038 0.000 1.053 878 S CB 0.566 63.749 63.200 -0.028 0.000 0.925 878 S HN 0.073 nan 8.310 nan 0.000 0.491 879 D N 4.029 124.333 120.400 -0.160 0.000 2.183 879 D HA -0.006 4.633 4.640 -0.002 0.000 0.205 879 D C 0.899 177.015 176.300 -0.306 0.000 0.962 879 D CA 1.158 55.122 54.000 -0.060 0.000 0.849 879 D CB -0.048 40.644 40.800 -0.180 0.000 0.978 879 D HN 0.691 nan 8.370 nan 0.000 0.488 880 F N 0.833 120.747 119.950 -0.061 0.000 2.811 880 F HA 0.214 4.739 4.527 -0.002 0.000 0.301 880 F C 1.782 177.598 175.800 0.027 0.000 1.151 880 F CA -0.239 57.678 58.000 -0.139 0.000 1.412 880 F CB -0.404 38.578 39.000 -0.029 0.000 1.113 880 F HN -0.149 nan 8.300 nan 0.000 0.579 881 A N -0.351 122.512 122.820 0.072 0.000 2.532 881 A HA 0.274 4.593 4.320 -0.002 0.000 0.273 881 A C 0.025 177.711 177.584 0.170 0.000 1.342 881 A CA -0.573 51.550 52.037 0.143 0.000 0.929 881 A CB -1.641 17.368 19.000 0.015 0.000 1.051 881 A HN 0.114 nan 8.150 nan 0.000 0.521 882 F N 0.041 120.015 119.950 0.040 0.000 2.016 882 F HA 0.060 4.586 4.527 -0.002 0.000 0.449 882 F C 1.224 176.993 175.800 -0.052 0.000 0.873 882 F CA 1.054 59.052 58.000 -0.004 0.000 0.980 882 F CB -1.786 37.389 39.000 0.291 0.000 0.765 882 F HN 1.001 nan 8.300 nan 0.000 0.495 883 A N 0.000 122.740 122.820 -0.134 0.000 2.254 883 A HA 0.000 4.319 4.320 -0.002 0.000 0.244 883 A CA 0.000 51.923 52.037 -0.190 0.000 0.836 883 A CB 0.000 19.074 19.000 0.123 0.000 0.831 883 A HN 0.000 nan 8.150 nan 0.000 0.486