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 2dkd_1_B DATA FIRST_RESID 1 DATA SEQUENCE MSIEQTLSQY LPSHPKPQXV TFTYGTAGFR MKADKLDYVT FTVGIIASLR DATA SEQUENCE SKYLQGKTVG VMITASHNPP EDNGVKVVDP LGSMLESSWE KYATDLANAS DATA SEQUENCE PSPXXXXXXX XNSLVEVIKN LVSDLKIDLS IPANVVIARD SRESSPALSM DATA SEQUENCE ATIDGFQSVP NTKYQDFGLF TTPELHYVTR TLNDPDFGKP TEDGYYSKLA DATA SEQUENCE KSFQEIYTIC ESNNEKIDIT IDAANGVGAP KIQELLEKYL HKEISFTVVN DATA SEQUENCE GDYKQPNLLN FDCGADYVKT NQKLPKNVKP VNNKLYASFD GDADRLICYY DATA SEQUENCE QNNDNKFKLL DGDKLSTLFA LFLQQLFKQI DPTKISLNIG VVQTAYANGS DATA SEQUENCE STKYVEDVLK IPVRCTPTGV KHLHHEAENF DIGVYFEANG HGTVIFNPEA DATA SEQUENCE EKKIFDYKPN NDNEAKAIKV LQNFSQLINQ TVGDAISDLL AVLIVVHYLK DATA SEQUENCE LSPSDWDNEY TDLPNKLVKV IVPDRSIFKT TNAERTLVEP KGMQDEIDKL DATA SEQUENCE VAQYPNGRSF VRASGTEDAV RVYAEADTQN NVEELSKAVS ELVK 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.323 176.300 0.039 0.000 1.140 1 M CA 0.000 55.323 55.300 0.038 0.000 0.988 1 M CB 0.000 32.630 32.600 0.049 0.000 1.302 2 S N 1.331 117.054 115.700 0.038 0.000 2.681 2 S HA 0.759 5.230 4.470 0.001 0.000 0.270 2 S C 1.137 175.765 174.600 0.047 0.000 1.209 2 S CA 0.188 58.410 58.200 0.037 0.000 0.988 2 S CB 1.054 64.272 63.200 0.031 0.000 1.006 2 S HN 2.103 nan 8.310 nan 0.000 0.558 3 I N 1.152 121.748 120.570 0.043 0.000 2.208 3 I HA -0.121 4.050 4.170 0.001 0.000 0.245 3 I C 2.090 178.246 176.117 0.064 0.000 1.097 3 I CA 1.811 63.142 61.300 0.050 0.000 1.363 3 I CB -0.862 37.159 38.000 0.036 0.000 1.051 3 I HN 0.843 nan 8.210 nan 0.000 0.413 4 E N 0.228 120.461 120.200 0.054 0.000 2.051 4 E HA -0.256 4.095 4.350 0.001 0.000 0.192 4 E C 2.211 178.850 176.600 0.066 0.000 0.991 4 E CA 1.733 58.169 56.400 0.059 0.000 0.799 4 E CB -0.337 29.389 29.700 0.044 0.000 0.748 4 E HN 0.624 nan 8.360 nan 0.000 0.449 5 Q N -0.133 119.701 119.800 0.057 0.000 2.030 5 Q HA -0.178 4.162 4.340 0.001 0.000 0.204 5 Q C 2.493 178.539 176.000 0.077 0.000 0.986 5 Q CA 2.153 57.989 55.803 0.054 0.000 0.843 5 Q CB -0.480 28.285 28.738 0.045 0.000 0.904 5 Q HN 0.488 nan 8.270 nan 0.000 0.420 6 T N -0.313 114.301 114.554 0.100 0.000 2.777 6 T HA -0.139 4.212 4.350 0.001 0.000 0.266 6 T C 1.833 176.670 174.700 0.228 0.000 1.040 6 T CA 1.010 63.203 62.100 0.155 0.000 1.141 6 T CB -0.338 68.618 68.868 0.147 0.000 0.868 6 T HN 0.128 nan 8.240 nan 0.000 0.444 7 L N 2.678 124.015 121.223 0.190 0.000 1.994 7 L HA -0.030 4.311 4.340 0.001 0.000 0.208 7 L C 2.814 179.832 176.870 0.247 0.000 1.071 7 L CA 2.425 57.412 54.840 0.246 0.000 0.745 7 L CB -1.142 41.025 42.059 0.180 0.000 0.892 7 L HN 0.545 nan 8.230 nan 0.000 0.431 8 S N -1.229 114.559 115.700 0.147 0.000 2.423 8 S HA -0.357 4.114 4.470 0.001 0.000 0.238 8 S C 1.962 176.592 174.600 0.049 0.000 1.028 8 S CA 1.555 59.812 58.200 0.094 0.000 1.000 8 S CB -0.915 62.317 63.200 0.054 0.000 0.797 8 S HN 0.736 nan 8.310 nan 0.000 0.487 9 Q N -0.362 119.452 119.800 0.024 0.000 2.226 9 Q HA -0.114 4.226 4.340 0.001 0.000 0.204 9 Q C 0.976 176.766 176.000 -0.351 0.000 0.975 9 Q CA 1.475 57.163 55.803 -0.192 0.000 0.866 9 Q CB -0.082 28.476 28.738 -0.301 0.000 0.915 9 Q HN 0.861 nan 8.270 nan 0.000 0.440 10 Y N -1.755 118.614 120.300 0.115 0.000 2.467 10 Y HA 0.056 4.607 4.550 0.001 0.000 0.259 10 Y C 1.474 177.400 175.900 0.042 0.000 1.084 10 Y CA -0.318 57.855 58.100 0.121 0.000 1.275 10 Y CB 0.132 38.748 38.460 0.260 0.000 1.208 10 Y HN 0.057 nan 8.280 nan 0.000 0.511 11 L N 2.736 124.089 121.223 0.217 0.000 2.021 11 L HA -0.159 4.182 4.340 0.001 0.000 0.215 11 L C -0.497 176.370 176.870 -0.004 0.000 1.074 11 L CA 2.187 57.091 54.840 0.107 0.000 0.760 11 L CB -1.454 40.705 42.059 0.167 0.000 0.889 11 L HN 0.021 nan 8.230 nan 0.000 0.433 12 P HA -0.125 nan 4.420 nan 0.000 0.219 12 P C 1.515 178.738 177.300 -0.128 0.000 1.146 12 P CA 1.513 64.578 63.100 -0.059 0.000 0.808 12 P CB -0.049 31.620 31.700 -0.053 0.000 0.779 13 S N -1.468 114.116 115.700 -0.194 0.000 2.515 13 S HA -0.058 4.412 4.470 0.001 0.000 0.231 13 S C 0.298 174.480 174.600 -0.697 0.000 0.987 13 S CA 0.532 58.489 58.200 -0.405 0.000 0.936 13 S CB -0.699 62.235 63.200 -0.444 0.000 0.766 13 S HN 0.450 nan 8.310 nan 0.000 0.528 14 H N 0.915 119.829 119.070 -0.259 0.000 2.423 14 H HA 0.315 4.872 4.556 0.001 0.000 0.237 14 H C -2.691 172.584 175.328 -0.090 0.000 1.391 14 H CA -1.853 54.049 56.048 -0.243 0.000 1.453 14 H CB 0.499 29.904 29.762 -0.595 0.000 1.484 14 H HN 0.173 nan 8.280 nan 0.000 0.505 15 P HA 0.073 nan 4.420 nan 0.000 0.275 15 P C -0.234 177.001 177.300 -0.107 0.000 1.228 15 P CA -0.501 62.557 63.100 -0.070 0.000 0.786 15 P CB 1.769 33.428 31.700 -0.069 0.000 0.927 16 K N 3.720 123.939 120.400 -0.302 0.000 2.172 16 K HA 0.334 4.655 4.320 0.001 0.000 0.276 16 K C -1.811 174.713 176.600 -0.127 0.000 1.013 16 K CA -1.853 54.190 56.287 -0.408 0.000 0.913 16 K CB 0.245 32.237 32.500 -0.846 0.000 1.055 16 K HN 0.388 nan 8.250 nan 0.000 0.461 17 P HA 0.084 nan 4.420 nan 0.000 0.275 17 P C -0.479 176.830 177.300 0.016 0.000 1.228 17 P CA -0.160 62.968 63.100 0.047 0.000 0.786 17 P CB 0.943 32.723 31.700 0.133 0.000 0.927 21 T N 2.121 116.329 114.554 -0.576 0.000 2.758 21 T HA 0.751 5.102 4.350 0.001 0.000 0.285 21 T C -0.933 173.490 174.700 -0.462 0.000 0.981 21 T CA 0.084 61.929 62.100 -0.426 0.000 0.965 21 T CB 0.250 69.024 68.868 -0.157 0.000 0.927 21 T HN 0.334 nan 8.240 nan 0.000 0.448 22 F N 1.226 121.235 119.950 0.098 0.000 2.507 22 F HA 0.669 5.196 4.527 0.001 0.000 0.327 22 F C 0.846 176.820 175.800 0.290 0.000 1.068 22 F CA -0.934 57.155 58.000 0.148 0.000 0.965 22 F CB 2.065 41.059 39.000 -0.009 0.000 1.192 22 F HN 0.293 nan 8.300 nan 0.000 0.476 23 T N 0.962 115.880 114.554 0.607 0.000 3.109 23 T HA 0.155 4.506 4.350 0.001 0.000 0.311 23 T C -1.652 173.206 174.700 0.262 0.000 1.011 23 T CA -0.625 61.736 62.100 0.435 0.000 1.026 23 T CB 0.620 69.623 68.868 0.225 0.000 1.047 23 T HN 0.458 nan 8.240 nan 0.000 0.448 24 Y N 2.730 122.948 120.300 -0.136 0.000 2.480 24 Y HA 0.527 5.078 4.550 0.002 0.000 0.341 24 Y C 0.719 176.468 175.900 -0.250 0.000 1.031 24 Y CA 0.515 58.239 58.100 -0.626 0.000 1.295 24 Y CB 0.212 38.240 38.460 -0.721 0.000 1.162 24 Y HN 0.847 nan 8.280 nan 0.000 0.523 25 G N 1.432 110.087 108.800 -0.242 0.000 3.257 25 G HA2 0.118 4.079 3.960 0.001 0.000 0.205 25 G HA3 0.118 4.079 3.960 0.001 0.000 0.205 25 G C 0.467 175.317 174.900 -0.083 0.000 1.234 25 G CA -0.167 44.897 45.100 -0.060 0.000 0.918 25 G HN 0.505 nan 8.290 nan 0.000 0.602 26 T N -2.285 112.251 114.554 -0.030 0.000 3.219 26 T HA 0.312 4.663 4.350 0.001 0.000 0.264 26 T C 1.101 175.762 174.700 -0.066 0.000 1.178 26 T CA 1.550 63.641 62.100 -0.016 0.000 1.057 26 T CB -0.027 68.857 68.868 0.026 0.000 0.919 26 T HN 1.283 nan 8.240 nan 0.000 0.545 27 A N -0.755 121.973 122.820 -0.154 0.000 2.538 27 A HA 0.722 5.043 4.320 0.001 0.000 0.276 27 A C 1.251 178.621 177.584 -0.357 0.000 0.908 27 A CA 0.202 52.133 52.037 -0.178 0.000 1.042 27 A CB -0.299 18.634 19.000 -0.112 0.000 1.218 27 A HN 1.164 nan 8.150 nan 0.000 0.517 28 G N 0.330 108.701 108.800 -0.715 0.000 2.583 28 G HA2 -0.266 3.695 3.960 0.001 0.000 0.292 28 G HA3 -0.266 3.695 3.960 0.001 0.000 0.292 28 G C -0.156 174.110 174.900 -1.057 0.000 1.203 28 G CA 0.518 44.644 45.100 -1.623 0.000 0.987 28 G HN 0.709 nan 8.290 nan 0.000 0.554 29 F N 1.435 121.101 119.950 -0.473 0.000 2.385 29 F HA 0.680 5.208 4.527 0.001 0.000 0.360 29 F C 0.937 176.655 175.800 -0.137 0.000 1.122 29 F CA -0.375 57.505 58.000 -0.201 0.000 1.090 29 F CB 1.716 40.640 39.000 -0.127 0.000 1.150 29 F HN 0.506 nan 8.300 nan 0.000 0.472 30 R N 6.795 127.348 120.500 0.089 0.000 2.502 30 R HA 0.630 4.971 4.340 0.001 0.000 0.298 30 R C -0.991 175.351 176.300 0.069 0.000 1.018 30 R CA -0.403 55.720 56.100 0.039 0.000 0.899 30 R CB 1.235 31.521 30.300 -0.023 0.000 1.181 30 R HN 0.932 nan 8.270 nan 0.000 0.444 31 M N 0.655 120.294 119.600 0.066 0.000 3.814 31 M HA 0.528 5.009 4.480 0.001 0.000 0.394 31 M C -1.338 174.995 176.300 0.055 0.000 1.782 31 M CA -1.193 54.153 55.300 0.077 0.000 0.824 31 M CB 0.923 33.597 32.600 0.123 0.000 2.614 31 M HN 0.046 nan 8.290 nan 0.000 0.463 32 K N 1.395 121.832 120.400 0.061 0.000 2.368 32 K HA 0.389 4.710 4.320 0.001 0.000 0.282 32 K C 0.953 177.578 176.600 0.041 0.000 1.035 32 K CA 0.640 56.955 56.287 0.047 0.000 0.973 32 K CB 1.181 33.711 32.500 0.049 0.000 0.957 32 K HN 0.787 nan 8.250 nan 0.000 0.474 33 A N 3.305 126.142 122.820 0.029 0.000 1.927 33 A HA -0.250 4.070 4.320 0.001 0.000 0.220 33 A C 1.312 178.910 177.584 0.024 0.000 1.185 33 A CA 2.314 54.364 52.037 0.022 0.000 0.639 33 A CB -0.629 18.382 19.000 0.019 0.000 0.820 33 A HN 0.838 nan 8.150 nan 0.000 0.451 34 D N -1.092 119.325 120.400 0.028 0.000 2.390 34 D HA -0.047 4.594 4.640 0.001 0.000 0.235 34 D C 0.873 177.200 176.300 0.045 0.000 1.040 34 D CA 0.944 54.962 54.000 0.030 0.000 0.923 34 D CB -0.170 40.646 40.800 0.026 0.000 0.886 34 D HN 0.530 nan 8.370 nan 0.000 0.532 35 K N -0.526 119.907 120.400 0.055 0.000 2.619 35 K HA 0.198 4.519 4.320 0.001 0.000 0.201 35 K C 0.309 176.932 176.600 0.039 0.000 1.090 35 K CA -0.197 56.145 56.287 0.091 0.000 1.063 35 K CB 0.772 33.360 32.500 0.147 0.000 0.810 35 K HN 0.015 nan 8.250 nan 0.000 0.506 36 L N 0.830 122.047 121.223 -0.011 0.000 2.701 36 L HA 0.110 4.451 4.340 0.001 0.000 0.238 36 L C 1.621 178.433 176.870 -0.097 0.000 1.106 36 L CA 0.955 55.739 54.840 -0.094 0.000 0.898 36 L CB 0.220 42.248 42.059 -0.052 0.000 1.188 36 L HN 0.162 nan 8.230 nan 0.000 0.508 37 D N -0.712 119.681 120.400 -0.012 0.000 2.103 37 D HA -0.337 4.303 4.640 0.001 0.000 0.190 37 D C 1.893 178.224 176.300 0.051 0.000 0.997 37 D CA 1.886 55.912 54.000 0.043 0.000 0.833 37 D CB -0.081 40.779 40.800 0.101 0.000 0.961 37 D HN 0.422 nan 8.370 nan 0.000 0.447 38 Y N 1.387 121.660 120.300 -0.045 0.000 2.145 38 Y HA -0.182 4.368 4.550 0.001 0.000 0.286 38 Y C 2.350 178.179 175.900 -0.119 0.000 1.145 38 Y CA 1.320 59.406 58.100 -0.024 0.000 1.148 38 Y CB -0.573 37.873 38.460 -0.024 0.000 0.981 38 Y HN -0.139 nan 8.280 nan 0.000 0.507 39 V N -0.601 119.012 119.914 -0.502 0.000 2.231 39 V HA -0.375 3.746 4.120 0.001 0.000 0.248 39 V C 2.488 178.253 176.094 -0.548 0.000 1.054 39 V CA 2.600 64.422 62.300 -0.798 0.000 1.015 39 V CB -1.343 29.820 31.823 -1.100 0.000 0.638 39 V HN 0.536 nan 8.190 nan 0.000 0.444 40 T N -0.770 113.580 114.554 -0.340 0.000 2.881 40 T HA -0.199 4.152 4.350 0.001 0.000 0.270 40 T C 1.634 176.175 174.700 -0.265 0.000 1.068 40 T CA 1.699 63.670 62.100 -0.214 0.000 1.131 40 T CB -0.370 68.417 68.868 -0.136 0.000 0.871 40 T HN 0.488 nan 8.240 nan 0.000 0.479 41 F N 2.425 122.098 119.950 -0.463 0.000 2.095 41 F HA -0.122 4.406 4.527 0.001 0.000 0.298 41 F C 2.582 178.097 175.800 -0.476 0.000 1.104 41 F CA 2.257 59.917 58.000 -0.567 0.000 1.232 41 F CB -1.118 37.446 39.000 -0.727 0.000 0.987 41 F HN 0.284 nan 8.300 nan 0.000 0.475 42 T N -1.971 112.164 114.554 -0.698 0.000 2.867 42 T HA -0.110 4.241 4.350 0.001 0.000 0.268 42 T C 2.022 176.506 174.700 -0.360 0.000 1.057 42 T CA 1.352 63.070 62.100 -0.637 0.000 1.136 42 T CB -1.263 67.299 68.868 -0.511 0.000 0.874 42 T HN 0.157 nan 8.240 nan 0.000 0.466 43 V N 1.958 121.731 119.914 -0.236 0.000 2.407 43 V HA -0.000 4.120 4.120 0.001 0.000 0.248 43 V C 3.076 179.130 176.094 -0.067 0.000 1.055 43 V CA 1.708 63.988 62.300 -0.033 0.000 1.049 43 V CB -1.458 30.412 31.823 0.079 0.000 0.662 43 V HN 0.688 nan 8.190 nan 0.000 0.455 44 G N -0.109 108.540 108.800 -0.253 0.000 2.422 44 G HA2 -0.217 3.744 3.960 0.001 0.000 0.218 44 G HA3 -0.217 3.744 3.960 0.001 0.000 0.218 44 G C 1.554 176.455 174.900 0.002 0.000 1.146 44 G CA 1.004 45.967 45.100 -0.228 0.000 0.769 44 G HN 0.498 nan 8.290 nan 0.000 0.547 45 I N -0.061 120.376 120.570 -0.223 0.000 2.163 45 I HA -0.082 4.089 4.170 0.001 0.000 0.240 45 I C 2.514 178.618 176.117 -0.022 0.000 1.081 45 I CA 0.574 61.778 61.300 -0.161 0.000 1.353 45 I CB -0.176 37.646 38.000 -0.297 0.000 1.054 45 I HN 0.109 nan 8.210 nan 0.000 0.407 46 I N 1.153 121.724 120.570 0.001 0.000 2.361 46 I HA -0.256 3.915 4.170 0.001 0.000 0.251 46 I C 2.499 178.712 176.117 0.159 0.000 1.133 46 I CA 1.473 62.840 61.300 0.113 0.000 1.413 46 I CB -0.383 37.696 38.000 0.132 0.000 1.073 46 I HN 0.154 nan 8.210 nan 0.000 0.424 47 A N -1.167 121.727 122.820 0.123 0.000 1.902 47 A HA -0.222 4.099 4.320 0.001 0.000 0.217 47 A C 2.512 180.107 177.584 0.017 0.000 1.181 47 A CA 2.001 54.092 52.037 0.090 0.000 0.623 47 A CB -1.116 18.000 19.000 0.195 0.000 0.818 47 A HN 0.474 nan 8.150 nan 0.000 0.443 48 S N -0.554 115.166 115.700 0.032 0.000 2.371 48 S HA -0.040 4.431 4.470 0.001 0.000 0.224 48 S C 1.940 176.556 174.600 0.028 0.000 1.029 48 S CA 1.195 59.383 58.200 -0.021 0.000 0.978 48 S CB -0.464 62.734 63.200 -0.003 0.000 0.833 48 S HN 0.484 nan 8.310 nan 0.000 0.466 49 L N 0.851 122.128 121.223 0.090 0.000 2.083 49 L HA -0.037 4.304 4.340 0.001 0.000 0.209 49 L C 2.876 179.888 176.870 0.236 0.000 1.083 49 L CA 1.389 56.330 54.840 0.168 0.000 0.752 49 L CB -0.471 41.704 42.059 0.193 0.000 0.899 49 L HN 0.284 nan 8.230 nan 0.000 0.433 50 R N 0.052 120.635 120.500 0.137 0.000 2.075 50 R HA -0.142 4.199 4.340 0.001 0.000 0.232 50 R C 2.521 178.738 176.300 -0.139 0.000 1.126 50 R CA 1.903 57.853 56.100 -0.250 0.000 0.963 50 R CB -0.741 29.333 30.300 -0.377 0.000 0.858 50 R HN 0.190 nan 8.270 nan 0.000 0.435 51 S N -0.058 115.596 115.700 -0.076 0.000 2.356 51 S HA -0.116 4.355 4.470 0.001 0.000 0.223 51 S C 1.662 176.247 174.600 -0.025 0.000 1.032 51 S CA 1.444 59.599 58.200 -0.075 0.000 1.005 51 S CB -0.121 63.025 63.200 -0.090 0.000 0.867 51 S HN 0.430 nan 8.310 nan 0.000 0.449 52 K N -0.556 119.858 120.400 0.023 0.000 2.057 52 K HA -0.128 4.193 4.320 0.001 0.000 0.207 52 K C 2.031 178.678 176.600 0.079 0.000 1.049 52 K CA 1.677 57.990 56.287 0.045 0.000 0.931 52 K CB -0.480 32.061 32.500 0.068 0.000 0.714 52 K HN 0.523 nan 8.250 nan 0.000 0.440 53 Y N 1.527 121.833 120.300 0.010 0.000 2.207 53 Y HA -0.149 4.401 4.550 0.000 0.000 0.287 53 Y C 1.303 177.182 175.900 -0.035 0.000 1.156 53 Y CA 1.355 59.477 58.100 0.038 0.000 1.182 53 Y CB -0.004 38.528 38.460 0.120 0.000 0.979 53 Y HN -0.056 nan 8.280 nan 0.000 0.521 54 L N 1.565 122.776 121.223 -0.020 0.000 2.737 54 L HA 0.037 4.378 4.340 0.001 0.000 0.236 54 L C 0.121 176.927 176.870 -0.107 0.000 1.219 54 L CA 0.131 54.904 54.840 -0.112 0.000 1.021 54 L CB -0.393 41.607 42.059 -0.098 0.000 1.291 54 L HN 0.259 nan 8.230 nan 0.000 0.470 55 Q N -0.297 119.444 119.800 -0.098 0.000 2.494 55 Q HA -0.246 4.095 4.340 0.001 0.000 0.272 55 Q C 1.143 177.106 176.000 -0.061 0.000 1.145 55 Q CA 0.964 56.720 55.803 -0.077 0.000 0.943 55 Q CB -2.216 26.470 28.738 -0.086 0.000 1.338 55 Q HN 0.815 nan 8.270 nan 0.000 0.492 56 G N -0.945 107.822 108.800 -0.055 0.000 2.175 56 G HA2 -0.328 3.633 3.960 0.001 0.000 0.244 56 G HA3 -0.328 3.633 3.960 0.001 0.000 0.244 56 G C 0.172 175.032 174.900 -0.068 0.000 0.982 56 G CA 0.316 45.383 45.100 -0.055 0.000 0.641 56 G HN 0.312 nan 8.290 nan 0.000 0.527 57 K N 1.341 121.695 120.400 -0.078 0.000 2.485 57 K HA 0.323 4.644 4.320 0.001 0.000 0.277 57 K C 0.598 177.140 176.600 -0.097 0.000 0.990 57 K CA 0.519 56.754 56.287 -0.086 0.000 0.994 57 K CB 0.283 32.725 32.500 -0.096 0.000 0.906 57 K HN 0.155 nan 8.250 nan 0.000 0.488 58 T N 2.190 116.687 114.554 -0.095 0.000 2.888 58 T HA 0.114 4.465 4.350 0.001 0.000 0.301 58 T C -0.053 174.575 174.700 -0.119 0.000 1.001 58 T CA -0.354 61.686 62.100 -0.101 0.000 1.147 58 T CB 0.452 69.271 68.868 -0.082 0.000 0.931 58 T HN 0.148 nan 8.240 nan 0.000 0.541 59 V N 2.775 122.612 119.914 -0.128 0.000 2.555 59 V HA 0.753 4.874 4.120 0.001 0.000 0.302 59 V C 0.695 176.724 176.094 -0.108 0.000 1.038 59 V CA -0.766 61.455 62.300 -0.131 0.000 0.887 59 V CB 2.070 33.811 31.823 -0.136 0.000 0.991 59 V HN 1.026 nan 8.190 nan 0.000 0.434 60 G N 2.451 111.192 108.800 -0.099 0.000 2.471 60 G HA2 0.692 4.652 3.960 0.001 0.000 0.332 60 G HA3 0.692 4.652 3.960 0.001 0.000 0.332 60 G C -1.408 173.495 174.900 0.004 0.000 1.176 60 G CA -0.591 44.477 45.100 -0.053 0.000 0.949 60 G HN 0.585 nan 8.290 nan 0.000 0.488 61 V N 1.041 121.006 119.914 0.085 0.000 2.686 61 V HA 0.554 4.674 4.120 0.001 0.000 0.306 61 V C -0.673 175.480 176.094 0.098 0.000 1.065 61 V CA -0.632 61.739 62.300 0.119 0.000 0.894 61 V CB 1.795 33.754 31.823 0.228 0.000 1.004 61 V HN 0.808 nan 8.190 nan 0.000 0.424 62 M N 6.418 126.060 119.600 0.070 0.000 2.253 62 M HA 0.642 5.123 4.480 0.001 0.000 0.314 62 M C -1.387 174.950 176.300 0.063 0.000 1.019 62 M CA -0.397 54.949 55.300 0.077 0.000 0.932 62 M CB 1.369 34.015 32.600 0.077 0.000 1.606 62 M HN 0.413 nan 8.290 nan 0.000 0.430 63 I N 4.267 124.874 120.570 0.062 0.000 2.304 63 I HA 0.596 4.767 4.170 0.001 0.000 0.291 63 I C 0.042 176.186 176.117 0.045 0.000 1.018 63 I CA 0.004 61.328 61.300 0.041 0.000 1.260 63 I CB 0.107 38.125 38.000 0.031 0.000 1.390 63 I HN 0.833 nan 8.210 nan 0.000 0.475 64 T N 3.827 118.399 114.554 0.030 0.000 2.800 64 T HA 0.555 4.906 4.350 0.001 0.000 0.327 64 T C -0.881 173.816 174.700 -0.005 0.000 1.838 64 T CA 0.058 62.173 62.100 0.024 0.000 1.024 64 T CB 1.230 70.119 68.868 0.035 0.000 1.755 64 T HN 0.568 nan 8.240 nan 0.000 0.507 65 A N 1.734 124.541 122.820 -0.022 0.000 2.609 65 A HA 0.692 5.013 4.320 0.001 0.000 0.286 65 A C 1.212 178.711 177.584 -0.142 0.000 1.138 65 A CA 1.064 53.059 52.037 -0.069 0.000 0.960 65 A CB -0.596 18.375 19.000 -0.049 0.000 1.208 65 A HN 1.533 nan 8.150 nan 0.000 0.541 66 S N 0.153 115.801 115.700 -0.087 0.000 4.155 66 S HA -0.364 4.107 4.470 0.001 0.000 0.552 66 S C 1.088 175.665 174.600 -0.038 0.000 1.869 66 S CA 2.448 60.602 58.200 -0.076 0.000 4.246 66 S CB -1.151 61.962 63.200 -0.146 0.000 0.245 66 S HN 1.359 nan 8.310 nan 0.000 0.461 67 H N 2.370 121.479 119.070 0.065 0.000 2.551 67 H HA 0.545 5.102 4.556 0.001 0.000 0.271 67 H C 0.395 175.771 175.328 0.080 0.000 0.984 67 H CA 0.103 56.202 56.048 0.084 0.000 1.164 67 H CB -0.426 29.388 29.762 0.085 0.000 1.437 67 H HN 0.244 nan 8.280 nan 0.000 0.550 68 N N 2.699 121.291 118.700 -0.178 0.000 2.297 68 N HA 0.079 4.820 4.740 0.001 0.000 0.232 68 N C -2.295 173.245 175.510 0.049 0.000 1.311 68 N CA -1.482 51.541 53.050 -0.045 0.000 0.897 68 N CB 0.199 38.628 38.487 -0.098 0.000 1.137 68 N HN 0.232 nan 8.380 nan 0.000 0.449 69 P HA 0.132 nan 4.420 nan 0.000 0.274 69 P C -2.068 175.260 177.300 0.048 0.000 1.231 69 P CA -1.116 62.030 63.100 0.077 0.000 0.790 69 P CB 0.499 32.246 31.700 0.078 0.000 0.951 70 P HA -0.243 nan 4.420 nan 0.000 0.218 70 P C 1.508 178.819 177.300 0.017 0.000 1.154 70 P CA 1.854 64.968 63.100 0.024 0.000 0.872 70 P CB -0.217 31.482 31.700 -0.002 0.000 0.790 71 E N -0.612 119.596 120.200 0.013 0.000 2.409 71 E HA -0.108 4.243 4.350 0.001 0.000 0.198 71 E C 0.083 176.695 176.600 0.019 0.000 1.024 71 E CA 1.058 57.466 56.400 0.013 0.000 0.861 71 E CB -0.775 28.932 29.700 0.012 0.000 0.788 71 E HN 0.268 nan 8.360 nan 0.000 0.521 72 D N 0.664 121.077 120.400 0.021 0.000 2.387 72 D HA 0.393 5.034 4.640 0.001 0.000 0.255 72 D C -0.171 176.138 176.300 0.014 0.000 1.081 72 D CA -0.407 53.604 54.000 0.019 0.000 0.994 72 D CB 1.015 41.823 40.800 0.013 0.000 1.127 72 D HN -0.058 nan 8.370 nan 0.000 0.513 73 N N -1.494 117.214 118.700 0.013 0.000 3.046 73 N HA 0.613 5.354 4.740 0.001 0.000 0.243 73 N C -1.239 174.276 175.510 0.009 0.000 1.452 73 N CA -0.505 52.551 53.050 0.010 0.000 0.882 73 N CB 2.193 40.688 38.487 0.014 0.000 1.425 73 N HN 0.500 nan 8.380 nan 0.000 0.517 74 G N -0.836 107.968 108.800 0.007 0.000 2.649 74 G HA2 0.583 4.544 3.960 0.001 0.000 0.290 74 G HA3 0.583 4.544 3.960 0.001 0.000 0.290 74 G C -1.891 173.019 174.900 0.017 0.000 1.426 74 G CA -0.308 44.799 45.100 0.012 0.000 0.794 74 G HN 0.485 nan 8.290 nan 0.000 0.483 75 V N -0.315 119.619 119.914 0.032 0.000 2.760 75 V HA 0.840 4.961 4.120 0.001 0.000 0.309 75 V C -1.125 174.980 176.094 0.018 0.000 1.077 75 V CA -0.806 61.523 62.300 0.048 0.000 0.910 75 V CB 1.881 33.756 31.823 0.086 0.000 1.008 75 V HN 0.788 nan 8.190 nan 0.000 0.424 76 K N 4.119 124.545 120.400 0.043 0.000 2.435 76 K HA 0.787 5.108 4.320 0.001 0.000 0.251 76 K C -1.613 175.064 176.600 0.130 0.000 0.954 76 K CA -0.774 55.555 56.287 0.069 0.000 0.820 76 K CB 2.624 35.145 32.500 0.035 0.000 1.292 76 K HN 0.518 nan 8.250 nan 0.000 0.436 77 V N 2.325 122.357 119.914 0.197 0.000 2.435 77 V HA 0.364 4.485 4.120 0.001 0.000 0.290 77 V C -0.533 175.557 176.094 -0.008 0.000 1.030 77 V CA -0.902 61.450 62.300 0.085 0.000 0.881 77 V CB 1.704 33.566 31.823 0.066 0.000 0.983 77 V HN 0.430 nan 8.190 nan 0.000 0.445 78 V N 3.553 123.408 119.914 -0.099 0.000 2.384 78 V HA 0.394 4.514 4.120 0.001 0.000 0.287 78 V C -0.137 175.852 176.094 -0.174 0.000 1.020 78 V CA -0.678 61.504 62.300 -0.197 0.000 0.850 78 V CB 1.645 33.221 31.823 -0.412 0.000 0.987 78 V HN 0.819 nan 8.190 nan 0.000 0.436 79 D N 5.636 125.938 120.400 -0.164 0.000 2.360 79 D HA 0.217 4.858 4.640 0.001 0.000 0.242 79 D C -1.378 174.822 176.300 -0.167 0.000 1.184 79 D CA -1.664 52.232 54.000 -0.174 0.000 0.930 79 D CB 1.471 42.166 40.800 -0.175 0.000 1.161 79 D HN 0.230 nan 8.370 nan 0.000 0.447 80 P HA -0.151 nan 4.420 nan 0.000 0.219 80 P C 1.072 178.277 177.300 -0.159 0.000 1.153 80 P CA 1.193 64.204 63.100 -0.150 0.000 0.865 80 P CB 0.196 31.815 31.700 -0.134 0.000 0.788 81 L N -3.100 118.031 121.223 -0.154 0.000 2.612 81 L HA 0.238 4.578 4.340 0.001 0.000 0.230 81 L C 1.495 178.252 176.870 -0.188 0.000 1.140 81 L CA 0.627 55.363 54.840 -0.173 0.000 0.896 81 L CB -0.819 41.156 42.059 -0.140 0.000 1.065 81 L HN 0.171 nan 8.230 nan 0.000 0.447 82 G N -0.054 108.651 108.800 -0.158 0.000 2.175 82 G HA2 -0.279 3.682 3.960 0.001 0.000 0.244 82 G HA3 -0.279 3.682 3.960 0.001 0.000 0.244 82 G C 0.346 175.273 174.900 0.046 0.000 0.982 82 G CA 0.342 45.390 45.100 -0.085 0.000 0.641 82 G HN 0.460 nan 8.290 nan 0.000 0.527 83 S N -1.265 114.404 115.700 -0.051 0.000 2.687 83 S HA 0.863 5.334 4.470 0.001 0.000 0.283 83 S C 0.916 175.500 174.600 -0.026 0.000 1.170 83 S CA 0.506 58.683 58.200 -0.039 0.000 1.008 83 S CB 1.467 64.590 63.200 -0.129 0.000 1.026 83 S HN 1.874 nan 8.310 nan 0.000 0.541 84 M N 1.633 121.239 119.600 0.011 0.000 2.248 84 M HA 0.499 4.980 4.480 0.001 0.000 0.337 84 M C 0.110 176.382 176.300 -0.048 0.000 1.121 84 M CA -0.515 54.794 55.300 0.016 0.000 1.155 84 M CB -1.184 31.448 32.600 0.053 0.000 1.514 84 M HN 0.987 nan 8.290 nan 0.000 0.452 85 L N 3.029 124.218 121.223 -0.055 0.000 2.653 85 L HA 0.131 4.472 4.340 0.001 0.000 0.288 85 L C 1.050 177.847 176.870 -0.121 0.000 1.243 85 L CA 0.605 55.368 54.840 -0.127 0.000 0.906 85 L CB 0.125 42.082 42.059 -0.170 0.000 1.154 85 L HN 0.959 nan 8.230 nan 0.000 0.498 86 E N 3.234 123.347 120.200 -0.145 0.000 2.414 86 E HA 0.013 4.363 4.350 0.001 0.000 0.263 86 E C 0.769 177.328 176.600 -0.068 0.000 1.000 86 E CA 0.281 56.623 56.400 -0.098 0.000 0.914 86 E CB 0.730 30.373 29.700 -0.096 0.000 0.948 86 E HN 0.771 nan 8.360 nan 0.000 0.444 87 S N 3.039 118.698 115.700 -0.068 0.000 2.381 87 S HA -0.322 4.149 4.470 0.001 0.000 0.230 87 S C 1.896 176.427 174.600 -0.115 0.000 1.052 87 S CA 1.999 60.151 58.200 -0.079 0.000 1.068 87 S CB -0.677 62.483 63.200 -0.067 0.000 0.918 87 S HN 0.806 nan 8.310 nan 0.000 0.448 88 S N -0.216 115.431 115.700 -0.088 0.000 2.440 88 S HA -0.128 4.342 4.470 0.001 0.000 0.238 88 S C 1.219 175.512 174.600 -0.513 0.000 1.010 88 S CA 0.988 59.059 58.200 -0.215 0.000 0.972 88 S CB -0.618 62.532 63.200 -0.083 0.000 0.774 88 S HN 0.681 nan 8.310 nan 0.000 0.501 89 W N 2.127 123.122 121.300 -0.508 0.000 3.197 89 W HA 0.397 5.058 4.660 0.002 0.000 0.274 89 W C 2.056 178.282 176.519 -0.488 0.000 1.297 89 W CA -0.561 56.476 57.345 -0.514 0.000 1.662 89 W CB -0.141 29.174 29.460 -0.243 0.000 1.106 89 W HN 0.439 nan 8.180 nan 0.000 0.663 90 E N 0.428 120.434 120.200 -0.324 0.000 2.150 90 E HA -0.195 4.156 4.350 0.001 0.000 0.193 90 E C 2.120 178.572 176.600 -0.247 0.000 0.985 90 E CA 0.771 56.909 56.400 -0.436 0.000 0.814 90 E CB -0.105 29.449 29.700 -0.243 0.000 0.752 90 E HN 0.076 nan 8.360 nan 0.000 0.466 91 K N 1.060 121.287 120.400 -0.289 0.000 2.103 91 K HA -0.126 4.195 4.320 0.001 0.000 0.204 91 K C 1.764 178.312 176.600 -0.086 0.000 1.052 91 K CA 1.178 57.349 56.287 -0.192 0.000 0.945 91 K CB -0.164 32.169 32.500 -0.279 0.000 0.722 91 K HN 0.307 nan 8.250 nan 0.000 0.443 92 Y N 0.534 120.721 120.300 -0.187 0.000 2.200 92 Y HA -0.188 4.364 4.550 0.002 0.000 0.290 92 Y C 2.551 178.392 175.900 -0.099 0.000 1.137 92 Y CA 0.479 58.437 58.100 -0.237 0.000 1.163 92 Y CB -0.219 37.926 38.460 -0.525 0.000 0.988 92 Y HN 0.175 nan 8.280 nan 0.000 0.518 93 A N 0.209 123.081 122.820 0.087 0.000 1.908 93 A HA -0.207 4.114 4.320 0.001 0.000 0.218 93 A C 2.214 180.013 177.584 0.358 0.000 1.181 93 A CA 2.307 54.450 52.037 0.177 0.000 0.627 93 A CB -1.261 17.767 19.000 0.047 0.000 0.818 93 A HN 0.396 nan 8.150 nan 0.000 0.445 94 T N 0.347 115.100 114.554 0.332 0.000 2.720 94 T HA -0.136 4.215 4.350 0.001 0.000 0.268 94 T C 1.475 176.343 174.700 0.280 0.000 1.037 94 T CA 1.557 63.905 62.100 0.414 0.000 1.144 94 T CB -0.432 68.603 68.868 0.279 0.000 0.864 94 T HN 0.487 nan 8.240 nan 0.000 0.444 95 D N 1.041 121.553 120.400 0.186 0.000 2.144 95 D HA 0.003 4.644 4.640 0.001 0.000 0.199 95 D C 2.133 178.513 176.300 0.133 0.000 0.984 95 D CA 0.697 54.781 54.000 0.140 0.000 0.834 95 D CB -0.262 40.598 40.800 0.100 0.000 0.955 95 D HN 0.336 nan 8.370 nan 0.000 0.465 96 L N 0.643 121.935 121.223 0.116 0.000 2.072 96 L HA -0.062 4.279 4.340 0.001 0.000 0.205 96 L C 2.497 179.429 176.870 0.104 0.000 1.079 96 L CA 0.890 55.775 54.840 0.075 0.000 0.752 96 L CB -0.379 41.682 42.059 0.004 0.000 0.906 96 L HN -0.040 nan 8.230 nan 0.000 0.436 97 A N -0.206 122.672 122.820 0.097 0.000 2.067 97 A HA -0.139 4.181 4.320 0.001 0.000 0.219 97 A C 1.752 179.589 177.584 0.421 0.000 1.158 97 A CA 1.392 53.456 52.037 0.046 0.000 0.661 97 A CB -0.340 18.521 19.000 -0.231 0.000 0.801 97 A HN 0.439 nan 8.150 nan 0.000 0.452 98 N N -0.448 118.463 118.700 0.351 0.000 2.236 98 N HA 0.262 5.003 4.740 0.001 0.000 0.196 98 N C 0.534 176.177 175.510 0.222 0.000 1.114 98 N CA 0.672 53.908 53.050 0.311 0.000 0.859 98 N CB 0.171 38.783 38.487 0.208 0.000 0.982 98 N HN 0.454 nan 8.380 nan 0.000 0.493 99 A N 0.379 123.343 122.820 0.240 0.000 2.296 99 A HA 0.380 4.701 4.320 0.001 0.000 0.264 99 A C 0.420 178.103 177.584 0.165 0.000 1.097 99 A CA -0.167 51.976 52.037 0.177 0.000 0.811 99 A CB 0.399 19.500 19.000 0.169 0.000 1.072 99 A HN 0.082 nan 8.150 nan 0.000 0.495 100 S N 0.465 116.221 115.700 0.094 0.000 2.433 100 S HA 0.493 4.964 4.470 0.001 0.000 0.310 100 S C -1.401 173.230 174.600 0.051 0.000 1.097 100 S CA -1.570 56.644 58.200 0.023 0.000 1.103 100 S CB 1.021 64.224 63.200 0.006 0.000 0.992 100 S HN 0.504 nan 8.310 nan 0.000 0.469 101 P HA -0.014 nan 4.420 nan 0.000 0.218 101 P C 0.331 177.665 177.300 0.057 0.000 1.149 101 P CA 0.622 63.778 63.100 0.095 0.000 0.817 101 P CB 0.227 31.961 31.700 0.057 0.000 0.785 102 S N -0.587 115.118 115.700 0.009 0.000 2.569 102 S HA 0.585 5.056 4.470 0.001 0.000 0.280 102 S C -2.596 172.004 174.600 0.000 0.000 1.111 102 S CA -1.534 56.672 58.200 0.009 0.000 0.887 102 S CB 1.209 64.407 63.200 -0.003 0.000 1.095 102 S HN -0.127 nan 8.310 nan 0.000 0.476 113 S N 0.833 116.556 115.700 0.039 0.000 2.545 113 S HA 0.182 4.653 4.470 0.001 0.000 0.275 113 S C 1.356 175.997 174.600 0.068 0.000 1.299 113 S CA -0.597 57.633 58.200 0.051 0.000 1.048 113 S CB 1.067 64.291 63.200 0.041 0.000 0.938 113 S HN 0.409 nan 8.310 nan 0.000 0.496 114 L N 6.861 128.146 121.223 0.103 0.000 1.997 114 L HA -0.079 4.262 4.340 0.001 0.000 0.216 114 L C 2.418 179.337 176.870 0.081 0.000 1.074 114 L CA 2.326 57.242 54.840 0.126 0.000 0.763 114 L CB -1.092 41.094 42.059 0.213 0.000 0.890 114 L HN 0.648 nan 8.230 nan 0.000 0.434 115 V N -0.369 119.594 119.914 0.081 0.000 2.688 115 V HA -0.227 3.894 4.120 0.001 0.000 0.256 115 V C 2.430 178.544 176.094 0.032 0.000 1.084 115 V CA 1.994 64.329 62.300 0.058 0.000 1.103 115 V CB -0.509 31.352 31.823 0.062 0.000 0.688 115 V HN 0.611 nan 8.190 nan 0.000 0.480 116 E N -0.354 119.864 120.200 0.030 0.000 2.122 116 E HA -0.026 4.325 4.350 0.001 0.000 0.190 116 E C 2.210 178.808 176.600 -0.002 0.000 0.977 116 E CA 1.213 57.621 56.400 0.013 0.000 0.820 116 E CB -0.322 29.388 29.700 0.016 0.000 0.770 116 E HN 0.548 nan 8.360 nan 0.000 0.462 117 V N 1.680 121.598 119.914 0.005 0.000 2.626 117 V HA -0.190 3.931 4.120 0.001 0.000 0.252 117 V C 2.308 178.372 176.094 -0.050 0.000 1.067 117 V CA 1.151 63.441 62.300 -0.016 0.000 1.081 117 V CB -0.403 31.427 31.823 0.012 0.000 0.686 117 V HN 0.182 nan 8.190 nan 0.000 0.468 118 I N -0.451 120.100 120.570 -0.032 0.000 2.233 118 I HA -0.174 3.997 4.170 0.001 0.000 0.243 118 I C 2.495 178.579 176.117 -0.055 0.000 1.093 118 I CA 1.396 62.666 61.300 -0.050 0.000 1.380 118 I CB -0.363 37.624 38.000 -0.022 0.000 1.067 118 I HN 0.217 nan 8.210 nan 0.000 0.413 119 K N 0.617 120.998 120.400 -0.032 0.000 2.209 119 K HA -0.130 4.191 4.320 0.001 0.000 0.204 119 K C 1.737 178.307 176.600 -0.049 0.000 1.048 119 K CA 1.070 57.339 56.287 -0.029 0.000 0.940 119 K CB -0.222 32.272 32.500 -0.011 0.000 0.729 119 K HN 0.294 nan 8.250 nan 0.000 0.451 120 N N 1.165 119.827 118.700 -0.064 0.000 2.216 120 N HA -0.069 4.672 4.740 0.001 0.000 0.183 120 N C 1.808 177.235 175.510 -0.139 0.000 1.017 120 N CA 0.794 53.795 53.050 -0.083 0.000 0.861 120 N CB -0.168 38.273 38.487 -0.077 0.000 0.986 120 N HN 0.109 nan 8.380 nan 0.000 0.428 121 L N 0.216 121.324 121.223 -0.191 0.000 2.027 121 L HA -0.107 4.234 4.340 0.001 0.000 0.206 121 L C 2.086 178.826 176.870 -0.217 0.000 1.074 121 L CA 0.783 55.432 54.840 -0.319 0.000 0.745 121 L CB -0.330 41.496 42.059 -0.388 0.000 0.898 121 L HN -0.019 nan 8.230 nan 0.000 0.433 122 V N -0.935 118.908 119.914 -0.118 0.000 2.332 122 V HA -0.292 3.829 4.120 0.001 0.000 0.248 122 V C 2.544 178.620 176.094 -0.030 0.000 1.055 122 V CA 2.064 64.337 62.300 -0.045 0.000 1.038 122 V CB -0.285 31.526 31.823 -0.019 0.000 0.651 122 V HN 0.386 nan 8.190 nan 0.000 0.450 123 S N -0.259 115.414 115.700 -0.045 0.000 2.345 123 S HA -0.175 4.296 4.470 0.001 0.000 0.219 123 S C 1.752 176.333 174.600 -0.032 0.000 1.031 123 S CA 1.458 59.641 58.200 -0.029 0.000 0.984 123 S CB -0.404 62.778 63.200 -0.030 0.000 0.874 123 S HN 0.612 nan 8.310 nan 0.000 0.451 124 D N 1.689 122.048 120.400 -0.068 0.000 2.104 124 D HA -0.047 4.593 4.640 0.001 0.000 0.194 124 D C 1.634 177.911 176.300 -0.038 0.000 0.994 124 D CA 0.970 54.929 54.000 -0.069 0.000 0.830 124 D CB -0.325 40.400 40.800 -0.126 0.000 0.959 124 D HN 0.320 nan 8.370 nan 0.000 0.452 125 L N -0.125 121.065 121.223 -0.056 0.000 2.591 125 L HA 0.099 4.440 4.340 0.001 0.000 0.228 125 L C 0.274 177.259 176.870 0.191 0.000 1.133 125 L CA -0.021 54.869 54.840 0.083 0.000 0.880 125 L CB -0.079 41.970 42.059 -0.016 0.000 1.033 125 L HN -0.118 nan 8.230 nan 0.000 0.450 126 K N 1.178 121.632 120.400 0.091 0.000 3.162 126 K HA -0.147 4.174 4.320 0.001 0.000 0.268 126 K C -0.249 176.415 176.600 0.107 0.000 1.062 126 K CA 0.625 56.958 56.287 0.077 0.000 0.769 126 K CB -1.870 30.665 32.500 0.059 0.000 1.274 126 K HN 0.342 nan 8.250 nan 0.000 0.478 127 I N 1.075 121.724 120.570 0.131 0.000 2.471 127 I HA 0.012 4.183 4.170 0.001 0.000 0.286 127 I C 0.894 177.057 176.117 0.077 0.000 1.079 127 I CA -0.247 61.147 61.300 0.156 0.000 1.398 127 I CB 0.531 38.636 38.000 0.175 0.000 1.403 127 I HN -0.002 nan 8.210 nan 0.000 0.530 128 D N 7.110 127.545 120.400 0.057 0.000 2.411 128 D HA 0.182 4.823 4.640 0.001 0.000 0.225 128 D C 0.940 177.258 176.300 0.030 0.000 1.156 128 D CA -0.173 53.845 54.000 0.030 0.000 0.874 128 D CB 0.963 41.770 40.800 0.011 0.000 1.034 128 D HN 0.431 nan 8.370 nan 0.000 0.502 129 L N 2.516 123.757 121.223 0.029 0.000 2.353 129 L HA -0.155 4.186 4.340 0.001 0.000 0.220 129 L C 2.190 179.072 176.870 0.019 0.000 1.133 129 L CA 0.964 55.820 54.840 0.027 0.000 0.798 129 L CB -0.426 41.649 42.059 0.026 0.000 0.922 129 L HN 0.375 nan 8.230 nan 0.000 0.445 130 S N -0.703 115.005 115.700 0.014 0.000 2.522 130 S HA 0.052 4.523 4.470 0.001 0.000 0.227 130 S C 0.885 175.487 174.600 0.004 0.000 0.986 130 S CA -0.125 58.081 58.200 0.009 0.000 0.929 130 S CB -0.367 62.837 63.200 0.006 0.000 0.769 130 S HN 0.261 nan 8.310 nan 0.000 0.529 131 I N 3.359 123.931 120.570 0.003 0.000 2.379 131 I HA 0.263 4.434 4.170 0.001 0.000 0.290 131 I C -2.497 173.617 176.117 -0.006 0.000 1.063 131 I CA -2.538 58.758 61.300 -0.006 0.000 1.351 131 I CB 0.933 38.926 38.000 -0.010 0.000 1.410 131 I HN -0.006 nan 8.210 nan 0.000 0.505 132 P HA -0.005 nan 4.420 nan 0.000 0.263 132 P C -0.605 176.679 177.300 -0.026 0.000 1.195 132 P CA 0.044 63.135 63.100 -0.015 0.000 0.762 132 P CB 0.578 32.267 31.700 -0.018 0.000 0.799 133 A N 4.246 127.048 122.820 -0.029 0.000 2.316 133 A HA 0.421 4.742 4.320 0.001 0.000 0.284 133 A C 0.004 177.541 177.584 -0.079 0.000 1.115 133 A CA -0.330 51.676 52.037 -0.053 0.000 0.812 133 A CB 0.287 19.255 19.000 -0.054 0.000 1.064 133 A HN 0.505 nan 8.150 nan 0.000 0.489 134 N N 0.803 119.441 118.700 -0.104 0.000 2.461 134 N HA 0.492 5.233 4.740 0.001 0.000 0.284 134 N C -1.212 174.197 175.510 -0.168 0.000 1.049 134 N CA -0.180 52.800 53.050 -0.117 0.000 0.889 134 N CB 2.052 40.489 38.487 -0.084 0.000 1.365 134 N HN 0.640 nan 8.380 nan 0.000 0.499 135 V N -0.782 118.983 119.914 -0.248 0.000 3.007 135 V HA 0.841 4.962 4.120 0.001 0.000 0.311 135 V C -0.072 175.882 176.094 -0.235 0.000 1.120 135 V CA -0.919 61.172 62.300 -0.349 0.000 0.980 135 V CB 1.636 32.986 31.823 -0.787 0.000 1.033 135 V HN 0.282 nan 8.190 nan 0.000 0.429 136 V N 1.385 121.250 119.914 -0.083 0.000 2.914 136 V HA 0.858 4.979 4.120 0.001 0.000 0.314 136 V C -0.640 175.589 176.094 0.226 0.000 1.084 136 V CA -0.677 61.705 62.300 0.136 0.000 0.963 136 V CB 1.737 33.693 31.823 0.222 0.000 1.025 136 V HN 1.216 nan 8.190 nan 0.000 0.432 137 I N 2.109 122.882 120.570 0.338 0.000 2.865 137 I HA 0.948 5.119 4.170 0.001 0.000 0.302 137 I C -0.364 175.890 176.117 0.228 0.000 1.140 137 I CA -0.541 60.940 61.300 0.303 0.000 1.021 137 I CB 2.122 40.339 38.000 0.362 0.000 1.233 137 I HN 1.254 nan 8.210 nan 0.000 0.427 138 A N 5.851 128.770 122.820 0.166 0.000 2.593 138 A HA 0.944 5.265 4.320 0.001 0.000 0.290 138 A C -1.462 176.197 177.584 0.124 0.000 1.126 138 A CA -0.746 51.371 52.037 0.134 0.000 0.695 138 A CB 1.962 21.099 19.000 0.228 0.000 1.290 138 A HN 0.820 nan 8.150 nan 0.000 0.414 139 R N -0.074 120.500 120.500 0.124 0.000 2.734 139 R HA 0.654 4.995 4.340 0.001 0.000 0.271 139 R C -1.471 174.899 176.300 0.117 0.000 1.021 139 R CA -0.556 55.606 56.100 0.103 0.000 0.893 139 R CB 1.163 31.507 30.300 0.074 0.000 1.244 139 R HN 0.709 nan 8.270 nan 0.000 0.464 140 D N 0.300 120.759 120.400 0.097 0.000 2.511 140 D HA 0.077 4.718 4.640 0.001 0.000 0.276 140 D C 0.564 176.931 176.300 0.111 0.000 1.220 140 D CA -0.413 53.647 54.000 0.100 0.000 1.077 140 D CB 0.618 41.468 40.800 0.084 0.000 1.126 140 D HN 0.572 nan 8.370 nan 0.000 0.583 141 S N -2.041 113.738 115.700 0.132 0.000 2.701 141 S HA 0.095 4.566 4.470 0.001 0.000 0.220 141 S C 0.683 175.361 174.600 0.130 0.000 0.954 141 S CA -0.546 57.759 58.200 0.175 0.000 0.936 141 S CB -0.529 62.838 63.200 0.278 0.000 0.777 141 S HN 0.340 nan 8.310 nan 0.000 0.518 142 R N 1.677 122.234 120.500 0.094 0.000 2.679 142 R HA 0.118 4.459 4.340 0.001 0.000 0.268 142 R C 1.445 177.779 176.300 0.057 0.000 1.044 142 R CA 0.209 56.350 56.100 0.067 0.000 1.105 142 R CB 0.291 30.622 30.300 0.051 0.000 0.989 142 R HN 0.471 nan 8.270 nan 0.000 0.447 143 E N 1.124 121.348 120.200 0.041 0.000 2.171 143 E HA -0.230 4.121 4.350 0.001 0.000 0.197 143 E C 1.051 177.667 176.600 0.028 0.000 0.997 143 E CA 1.857 58.275 56.400 0.030 0.000 0.810 143 E CB 0.178 29.887 29.700 0.015 0.000 0.738 143 E HN 0.687 nan 8.360 nan 0.000 0.467 144 S N -1.034 114.682 115.700 0.026 0.000 2.528 144 S HA 0.077 4.548 4.470 0.001 0.000 0.219 144 S C 1.901 176.516 174.600 0.024 0.000 0.985 144 S CA 0.412 58.625 58.200 0.022 0.000 0.914 144 S CB 0.420 63.631 63.200 0.018 0.000 0.776 144 S HN 0.077 nan 8.310 nan 0.000 0.526 145 S N 3.703 119.423 115.700 0.034 0.000 2.365 145 S HA -0.017 4.454 4.470 0.001 0.000 0.225 145 S C -0.676 173.942 174.600 0.031 0.000 1.039 145 S CA 1.657 59.878 58.200 0.036 0.000 1.033 145 S CB -1.428 61.805 63.200 0.054 0.000 0.887 145 S HN 0.466 nan 8.310 nan 0.000 0.447 146 P HA -0.096 nan 4.420 nan 0.000 0.214 146 P C 1.546 178.858 177.300 0.020 0.000 1.163 146 P CA 1.639 64.757 63.100 0.032 0.000 0.889 146 P CB -0.145 31.576 31.700 0.036 0.000 0.790 147 A N -0.790 122.041 122.820 0.019 0.000 1.902 147 A HA -0.162 4.159 4.320 0.001 0.000 0.217 147 A C 2.223 179.814 177.584 0.013 0.000 1.181 147 A CA 1.481 53.529 52.037 0.017 0.000 0.623 147 A CB -1.685 17.325 19.000 0.016 0.000 0.818 147 A HN 0.108 nan 8.150 nan 0.000 0.443 148 L N -0.688 120.538 121.223 0.004 0.000 2.201 148 L HA -0.124 4.217 4.340 0.001 0.000 0.212 148 L C 2.863 179.703 176.870 -0.051 0.000 1.105 148 L CA 1.320 56.152 54.840 -0.015 0.000 0.775 148 L CB -0.373 41.679 42.059 -0.012 0.000 0.913 148 L HN 0.516 nan 8.230 nan 0.000 0.440 149 S N -0.066 115.611 115.700 -0.039 0.000 2.371 149 S HA -0.148 4.323 4.470 0.001 0.000 0.224 149 S C 2.066 176.595 174.600 -0.119 0.000 1.029 149 S CA 1.063 59.221 58.200 -0.071 0.000 0.978 149 S CB -0.044 63.147 63.200 -0.016 0.000 0.833 149 S HN 0.275 nan 8.310 nan 0.000 0.466 150 M N 0.956 120.520 119.600 -0.060 0.000 2.159 150 M HA -0.051 4.430 4.480 0.001 0.000 0.263 150 M C 2.457 178.715 176.300 -0.070 0.000 1.063 150 M CA 1.477 56.744 55.300 -0.055 0.000 1.110 150 M CB -0.523 32.083 32.600 0.009 0.000 1.374 150 M HN 0.498 nan 8.290 nan 0.000 0.411 151 A N -0.040 122.768 122.820 -0.020 0.000 1.902 151 A HA -0.146 4.175 4.320 0.001 0.000 0.217 151 A C 2.176 179.633 177.584 -0.211 0.000 1.181 151 A CA 2.209 54.253 52.037 0.012 0.000 0.623 151 A CB -1.146 17.893 19.000 0.065 0.000 0.818 151 A HN 0.461 nan 8.150 nan 0.000 0.443 152 T N 0.340 114.707 114.554 -0.312 0.000 2.788 152 T HA -0.073 4.278 4.350 0.001 0.000 0.268 152 T C 1.740 175.866 174.700 -0.956 0.000 1.044 152 T CA 1.461 63.222 62.100 -0.565 0.000 1.139 152 T CB -0.394 68.148 68.868 -0.543 0.000 0.867 152 T HN 0.430 nan 8.240 nan 0.000 0.454 153 I N 1.256 121.342 120.570 -0.807 0.000 2.493 153 I HA -0.138 4.033 4.170 0.001 0.000 0.254 153 I C 2.101 177.858 176.117 -0.600 0.000 1.160 153 I CA 0.976 61.768 61.300 -0.845 0.000 1.445 153 I CB -0.314 37.336 38.000 -0.585 0.000 1.086 153 I HN 0.131 nan 8.210 nan 0.000 0.433 154 D N 0.933 121.070 120.400 -0.440 0.000 2.178 154 D HA -0.104 4.536 4.640 0.001 0.000 0.202 154 D C 2.201 178.184 176.300 -0.529 0.000 0.974 154 D CA 1.405 55.080 54.000 -0.541 0.000 0.841 154 D CB -0.360 40.423 40.800 -0.027 0.000 0.953 154 D HN 0.376 nan 8.370 nan 0.000 0.478 155 G N 0.223 108.741 108.800 -0.469 0.000 2.421 155 G HA2 -0.236 3.725 3.960 0.001 0.000 0.216 155 G HA3 -0.236 3.725 3.960 0.001 0.000 0.216 155 G C 1.641 176.327 174.900 -0.357 0.000 1.171 155 G CA 0.185 44.870 45.100 -0.692 0.000 0.775 155 G HN 0.265 nan 8.290 nan 0.000 0.543 156 F N 0.820 120.545 119.950 -0.374 0.000 2.063 156 F HA -0.211 4.317 4.527 0.001 0.000 0.298 156 F C 3.142 178.800 175.800 -0.236 0.000 1.109 156 F CA 1.357 59.192 58.000 -0.275 0.000 1.212 156 F CB -0.160 38.656 39.000 -0.307 0.000 0.973 156 F HN 0.184 nan 8.300 nan 0.000 0.480 157 Q N -0.406 119.319 119.800 -0.125 0.000 2.488 157 Q HA -0.074 4.267 4.340 0.001 0.000 0.211 157 Q C 1.824 177.786 176.000 -0.063 0.000 0.967 157 Q CA 0.668 56.402 55.803 -0.114 0.000 0.926 157 Q CB -0.073 28.555 28.738 -0.183 0.000 0.992 157 Q HN 0.253 nan 8.270 nan 0.000 0.506 158 S N -0.024 115.592 115.700 -0.139 0.000 2.561 158 S HA 0.030 4.501 4.470 0.001 0.000 0.225 158 S C 0.514 175.145 174.600 0.052 0.000 0.977 158 S CA 0.123 58.356 58.200 0.055 0.000 0.926 158 S CB 0.366 63.574 63.200 0.014 0.000 0.769 158 S HN 0.034 nan 8.310 nan 0.000 0.533 159 V N 4.466 124.391 119.914 0.018 0.000 2.398 159 V HA 0.335 4.456 4.120 0.001 0.000 0.286 159 V C -2.297 173.826 176.094 0.048 0.000 1.026 159 V CA -2.400 59.916 62.300 0.027 0.000 0.868 159 V CB 1.437 33.266 31.823 0.010 0.000 0.982 159 V HN 0.077 nan 8.190 nan 0.000 0.443 160 P HA 0.080 nan 4.420 nan 0.000 0.268 160 P C -0.321 177.003 177.300 0.040 0.000 1.205 160 P CA 0.117 63.249 63.100 0.053 0.000 0.771 160 P CB 0.293 32.021 31.700 0.047 0.000 0.858 161 N N -0.535 118.191 118.700 0.043 0.000 2.699 161 N HA -0.102 4.639 4.740 0.001 0.000 0.257 161 N C -0.827 174.696 175.510 0.021 0.000 1.077 161 N CA 1.023 54.091 53.050 0.030 0.000 0.702 161 N CB -2.038 36.460 38.487 0.020 0.000 0.886 161 N HN 0.455 nan 8.380 nan 0.000 0.549 162 T N 0.943 115.517 114.554 0.034 0.000 2.841 162 T HA 0.462 4.813 4.350 0.001 0.000 0.285 162 T C 0.102 174.830 174.700 0.045 0.000 0.991 162 T CA -0.676 61.435 62.100 0.018 0.000 0.966 162 T CB 1.968 70.847 68.868 0.017 0.000 0.962 162 T HN -0.003 nan 8.240 nan 0.000 0.438 163 K N 2.767 123.167 120.400 -0.000 0.000 2.244 163 K HA 0.633 4.954 4.320 0.001 0.000 0.260 163 K C -0.895 175.693 176.600 -0.021 0.000 0.951 163 K CA -0.851 55.431 56.287 -0.008 0.000 0.826 163 K CB 0.917 33.384 32.500 -0.054 0.000 1.108 163 K HN 0.681 nan 8.250 nan 0.000 0.433 164 Y N -0.899 119.329 120.300 -0.120 0.000 2.602 164 Y HA 0.711 5.262 4.550 0.001 0.000 0.342 164 Y C -1.004 174.848 175.900 -0.079 0.000 1.029 164 Y CA -1.089 56.915 58.100 -0.160 0.000 1.080 164 Y CB 1.588 39.976 38.460 -0.121 0.000 1.284 164 Y HN 0.250 nan 8.280 nan 0.000 0.485 165 Q N 1.988 121.762 119.800 -0.043 0.000 2.347 165 Q HA 0.254 4.595 4.340 0.001 0.000 0.271 165 Q C -2.004 174.014 176.000 0.030 0.000 1.064 165 Q CA -0.644 55.054 55.803 -0.175 0.000 0.800 165 Q CB 2.651 31.276 28.738 -0.188 0.000 1.304 165 Q HN 0.894 nan 8.270 nan 0.000 0.438 166 D N 1.588 121.934 120.400 -0.091 0.000 2.414 166 D HA 0.292 4.932 4.640 0.001 0.000 0.232 166 D C -0.381 175.773 176.300 -0.244 0.000 1.070 166 D CA -0.448 53.563 54.000 0.018 0.000 0.839 166 D CB 0.352 41.236 40.800 0.140 0.000 1.079 166 D HN 0.307 nan 8.370 nan 0.000 0.521 167 F N 2.407 122.220 119.950 -0.230 0.000 2.797 167 F HA 0.279 4.807 4.527 0.001 0.000 0.302 167 F C 2.030 177.521 175.800 -0.515 0.000 1.130 167 F CA 0.496 58.174 58.000 -0.537 0.000 1.387 167 F CB -0.048 38.281 39.000 -1.119 0.000 1.107 167 F HN 0.631 nan 8.300 nan 0.000 0.577 168 G N 0.993 109.725 108.800 -0.113 0.000 2.614 168 G HA2 -0.355 3.606 3.960 0.001 0.000 0.303 168 G HA3 -0.355 3.606 3.960 0.001 0.000 0.303 168 G C 0.058 174.957 174.900 -0.001 0.000 1.270 168 G CA -0.338 44.738 45.100 -0.040 0.000 0.988 168 G HN 0.150 nan 8.290 nan 0.000 0.551 169 L N 0.527 121.787 121.223 0.061 0.000 2.615 169 L HA 0.449 4.790 4.340 0.001 0.000 0.271 169 L C 0.055 177.087 176.870 0.269 0.000 1.183 169 L CA 0.521 55.440 54.840 0.132 0.000 0.933 169 L CB -0.449 41.679 42.059 0.115 0.000 1.199 169 L HN 0.443 nan 8.230 nan 0.000 0.487 170 F N 0.965 120.923 119.950 0.013 0.000 2.641 170 F HA 0.202 4.730 4.527 0.001 0.000 0.308 170 F C 0.399 176.167 175.800 -0.053 0.000 1.105 170 F CA -1.152 56.827 58.000 -0.035 0.000 0.964 170 F CB 2.186 41.168 39.000 -0.029 0.000 1.294 170 F HN 0.438 nan 8.300 nan 0.000 0.442 171 T N -1.041 113.442 114.554 -0.118 0.000 2.828 171 T HA 0.144 4.495 4.350 0.001 0.000 0.290 171 T C 0.894 175.517 174.700 -0.128 0.000 1.019 171 T CA -0.309 61.712 62.100 -0.132 0.000 1.031 171 T CB 1.539 70.269 68.868 -0.231 0.000 1.001 171 T HN 0.607 nan 8.240 nan 0.000 0.531 172 T N 2.446 116.971 114.554 -0.048 0.000 2.746 172 T HA -0.000 4.350 4.350 0.001 0.000 0.267 172 T C -0.851 173.850 174.700 0.003 0.000 1.039 172 T CA 1.448 63.567 62.100 0.032 0.000 1.142 172 T CB -1.296 67.610 68.868 0.062 0.000 0.866 172 T HN 0.570 nan 8.240 nan 0.000 0.444 173 P HA -0.036 nan 4.420 nan 0.000 0.216 173 P C 1.353 178.455 177.300 -0.331 0.000 1.150 173 P CA 1.017 64.010 63.100 -0.179 0.000 0.837 173 P CB -0.016 31.579 31.700 -0.175 0.000 0.786 174 E N -0.711 119.060 120.200 -0.715 0.000 2.110 174 E HA -0.142 4.209 4.350 0.001 0.000 0.193 174 E C 1.857 178.048 176.600 -0.683 0.000 0.988 174 E CA 0.602 56.273 56.400 -1.217 0.000 0.804 174 E CB -0.616 27.799 29.700 -2.142 0.000 0.745 174 E HN 0.156 nan 8.360 nan 0.000 0.458 175 L N 1.009 122.068 121.223 -0.273 0.000 2.093 175 L HA -0.170 4.171 4.340 0.001 0.000 0.208 175 L C 2.050 178.886 176.870 -0.057 0.000 1.085 175 L CA 1.902 56.756 54.840 0.024 0.000 0.755 175 L CB -0.694 41.438 42.059 0.122 0.000 0.904 175 L HN 0.301 nan 8.230 nan 0.000 0.435 176 H N -1.722 117.290 119.070 -0.097 0.000 2.387 176 H HA -0.231 4.326 4.556 0.002 0.000 0.299 176 H C 2.060 177.344 175.328 -0.074 0.000 1.090 176 H CA 2.077 58.080 56.048 -0.075 0.000 1.332 176 H CB -0.075 29.656 29.762 -0.051 0.000 1.386 176 H HN 0.422 nan 8.280 nan 0.000 0.516 177 Y N 2.033 122.297 120.300 -0.059 0.000 2.114 177 Y HA -0.246 4.305 4.550 0.002 0.000 0.284 177 Y C 2.667 178.526 175.900 -0.067 0.000 1.143 177 Y CA 1.785 59.867 58.100 -0.029 0.000 1.135 177 Y CB -0.452 37.978 38.460 -0.049 0.000 0.980 177 Y HN 0.006 nan 8.280 nan 0.000 0.499 178 V N -2.837 116.994 119.914 -0.140 0.000 2.427 178 V HA -0.214 3.907 4.120 0.001 0.000 0.248 178 V C 1.985 177.936 176.094 -0.238 0.000 1.051 178 V CA 2.349 64.490 62.300 -0.264 0.000 1.048 178 V CB -1.597 29.925 31.823 -0.501 0.000 0.666 178 V HN 0.461 nan 8.190 nan 0.000 0.456 179 T N 0.389 114.821 114.554 -0.202 0.000 2.684 179 T HA -0.201 4.150 4.350 0.001 0.000 0.267 179 T C 2.004 176.589 174.700 -0.192 0.000 1.036 179 T CA 2.345 64.342 62.100 -0.172 0.000 1.148 179 T CB -0.336 68.422 68.868 -0.183 0.000 0.863 179 T HN 0.611 nan 8.240 nan 0.000 0.436 180 R N 0.781 121.138 120.500 -0.238 0.000 2.062 180 R HA -0.102 4.239 4.340 0.001 0.000 0.229 180 R C 2.658 178.800 176.300 -0.263 0.000 1.128 180 R CA 1.881 57.812 56.100 -0.281 0.000 0.960 180 R CB -0.536 29.520 30.300 -0.407 0.000 0.855 180 R HN 0.520 nan 8.270 nan 0.000 0.432 181 T N -0.741 113.620 114.554 -0.321 0.000 2.915 181 T HA -0.071 4.280 4.350 0.001 0.000 0.269 181 T C 1.924 176.539 174.700 -0.141 0.000 1.071 181 T CA 0.926 62.880 62.100 -0.244 0.000 1.132 181 T CB -0.230 68.372 68.868 -0.443 0.000 0.878 181 T HN 0.204 nan 8.240 nan 0.000 0.479 182 L N 0.709 121.853 121.223 -0.132 0.000 2.376 182 L HA 0.083 4.424 4.340 0.001 0.000 0.219 182 L C 2.394 179.222 176.870 -0.070 0.000 1.133 182 L CA 0.740 55.540 54.840 -0.068 0.000 0.816 182 L CB -0.351 41.684 42.059 -0.040 0.000 0.933 182 L HN 0.313 nan 8.230 nan 0.000 0.449 183 N N -1.244 117.399 118.700 -0.096 0.000 2.414 183 N HA -0.021 4.720 4.740 0.001 0.000 0.177 183 N C -0.015 175.449 175.510 -0.077 0.000 1.062 183 N CA 0.458 53.455 53.050 -0.088 0.000 0.890 183 N CB 0.607 39.029 38.487 -0.108 0.000 1.070 183 N HN 0.108 nan 8.380 nan 0.000 0.454 184 D N 1.062 121.412 120.400 -0.083 0.000 2.400 184 D HA 0.200 4.841 4.640 0.001 0.000 0.272 184 D C -1.848 174.446 176.300 -0.010 0.000 1.220 184 D CA -1.955 52.016 54.000 -0.050 0.000 0.897 184 D CB 1.370 42.126 40.800 -0.073 0.000 1.134 184 D HN -0.054 nan 8.370 nan 0.000 0.507 185 P HA -0.115 nan 4.420 nan 0.000 0.221 185 P C 0.569 177.881 177.300 0.019 0.000 1.145 185 P CA 0.729 63.830 63.100 0.001 0.000 0.795 185 P CB 0.600 32.297 31.700 -0.004 0.000 0.775 186 D N -0.952 119.462 120.400 0.024 0.000 2.219 186 D HA -0.117 4.524 4.640 0.001 0.000 0.205 186 D C 1.521 177.843 176.300 0.037 0.000 0.970 186 D CA 0.677 54.686 54.000 0.014 0.000 0.851 186 D CB -0.945 39.857 40.800 0.003 0.000 0.943 186 D HN 0.167 nan 8.370 nan 0.000 0.488 187 F N 0.352 120.255 119.950 -0.079 0.000 2.407 187 F HA 0.200 4.728 4.527 0.002 0.000 0.299 187 F C 1.151 176.934 175.800 -0.027 0.000 1.097 187 F CA 1.100 59.058 58.000 -0.070 0.000 1.422 187 F CB 0.375 39.317 39.000 -0.096 0.000 1.067 187 F HN -0.030 nan 8.300 nan 0.000 0.539 188 G N 0.224 109.041 108.800 0.028 0.000 2.352 188 G HA2 0.068 4.029 3.960 0.001 0.000 0.302 188 G HA3 0.068 4.029 3.960 0.001 0.000 0.302 188 G C -1.579 173.368 174.900 0.078 0.000 1.370 188 G CA -1.070 44.060 45.100 0.050 0.000 0.918 188 G HN 0.128 nan 8.290 nan 0.000 0.610 189 K N 1.438 121.926 120.400 0.147 0.000 2.339 189 K HA 0.387 4.708 4.320 0.001 0.000 0.286 189 K C -1.550 175.162 176.600 0.187 0.000 1.050 189 K CA -1.591 54.777 56.287 0.134 0.000 0.956 189 K CB 0.987 33.568 32.500 0.134 0.000 0.990 189 K HN 0.183 nan 8.250 nan 0.000 0.475 190 P HA -0.033 nan 4.420 nan 0.000 0.277 190 P C -0.788 176.656 177.300 0.240 0.000 1.617 190 P CA 0.151 63.309 63.100 0.097 0.000 0.829 190 P CB -0.299 31.429 31.700 0.046 0.000 1.774 191 T N -4.980 109.758 114.554 0.305 0.000 2.907 191 T HA 0.286 4.637 4.350 0.001 0.000 0.290 191 T C 1.022 175.900 174.700 0.297 0.000 1.066 191 T CA -0.734 61.562 62.100 0.327 0.000 1.012 191 T CB 2.176 71.185 68.868 0.236 0.000 1.184 191 T HN -0.083 nan 8.240 nan 0.000 0.522 192 E N 0.031 120.392 120.200 0.268 0.000 2.106 192 E HA -0.175 4.176 4.350 0.001 0.000 0.192 192 E C 1.450 177.972 176.600 -0.130 0.000 0.984 192 E CA 1.483 57.908 56.400 0.042 0.000 0.806 192 E CB -0.171 29.622 29.700 0.154 0.000 0.750 192 E HN 0.801 nan 8.360 nan 0.000 0.458 193 D N -0.621 119.846 120.400 0.113 0.000 2.178 193 D HA -0.104 4.536 4.640 0.001 0.000 0.201 193 D C 1.889 178.260 176.300 0.118 0.000 0.980 193 D CA 1.540 55.678 54.000 0.229 0.000 0.842 193 D CB -0.427 40.544 40.800 0.286 0.000 0.948 193 D HN 0.268 nan 8.370 nan 0.000 0.472 194 G N -0.855 108.017 108.800 0.120 0.000 2.418 194 G HA2 -0.321 3.640 3.960 0.001 0.000 0.217 194 G HA3 -0.321 3.640 3.960 0.001 0.000 0.217 194 G C 1.537 176.401 174.900 -0.060 0.000 1.158 194 G CA 0.990 46.167 45.100 0.127 0.000 0.771 194 G HN 0.429 nan 8.290 nan 0.000 0.545 195 Y N 0.484 120.496 120.300 -0.480 0.000 2.145 195 Y HA -0.165 4.386 4.550 0.002 0.000 0.286 195 Y C 2.594 178.144 175.900 -0.584 0.000 1.145 195 Y CA 1.636 59.110 58.100 -1.044 0.000 1.148 195 Y CB -0.462 37.285 38.460 -1.190 0.000 0.981 195 Y HN 0.339 nan 8.280 nan 0.000 0.507 196 Y N -0.534 119.459 120.300 -0.510 0.000 2.145 196 Y HA -0.276 4.275 4.550 0.002 0.000 0.286 196 Y C 2.762 178.196 175.900 -0.777 0.000 1.145 196 Y CA 0.898 58.520 58.100 -0.796 0.000 1.148 196 Y CB -0.383 37.445 38.460 -1.053 0.000 0.981 196 Y HN 0.089 nan 8.280 nan 0.000 0.507 197 S N 0.030 115.547 115.700 -0.305 0.000 2.382 197 S HA -0.205 4.266 4.470 0.001 0.000 0.228 197 S C 1.871 176.390 174.600 -0.135 0.000 1.027 197 S CA 1.318 59.456 58.200 -0.102 0.000 0.991 197 S CB -0.260 62.986 63.200 0.076 0.000 0.823 197 S HN 0.331 nan 8.310 nan 0.000 0.469 198 K N 1.055 121.332 120.400 -0.204 0.000 2.097 198 K HA -0.022 4.299 4.320 0.001 0.000 0.206 198 K C 1.968 178.420 176.600 -0.248 0.000 1.049 198 K CA 0.949 57.111 56.287 -0.208 0.000 0.933 198 K CB -0.195 32.159 32.500 -0.243 0.000 0.717 198 K HN 0.286 nan 8.250 nan 0.000 0.442 199 L N 0.221 121.224 121.223 -0.367 0.000 2.005 199 L HA -0.128 4.212 4.340 0.001 0.000 0.207 199 L C 2.641 179.400 176.870 -0.185 0.000 1.072 199 L CA 1.248 55.885 54.840 -0.338 0.000 0.744 199 L CB -0.548 41.211 42.059 -0.500 0.000 0.895 199 L HN 0.260 nan 8.230 nan 0.000 0.433 200 A N 0.043 122.745 122.820 -0.196 0.000 1.877 200 A HA -0.271 4.050 4.320 0.001 0.000 0.216 200 A C 2.386 179.998 177.584 0.046 0.000 1.186 200 A CA 2.096 54.092 52.037 -0.068 0.000 0.620 200 A CB -0.513 18.471 19.000 -0.027 0.000 0.822 200 A HN 0.323 nan 8.150 nan 0.000 0.443 201 K N 0.208 120.619 120.400 0.019 0.000 2.057 201 K HA -0.161 4.160 4.320 0.001 0.000 0.207 201 K C 2.310 178.938 176.600 0.046 0.000 1.049 201 K CA 1.869 58.182 56.287 0.043 0.000 0.931 201 K CB -0.197 32.318 32.500 0.024 0.000 0.714 201 K HN 0.634 nan 8.250 nan 0.000 0.440 202 S N 0.128 115.837 115.700 0.015 0.000 2.383 202 S HA -0.159 4.312 4.470 0.001 0.000 0.227 202 S C 1.898 176.530 174.600 0.054 0.000 1.026 202 S CA 0.798 59.005 58.200 0.011 0.000 0.981 202 S CB -0.706 62.465 63.200 -0.049 0.000 0.818 202 S HN 0.403 nan 8.310 nan 0.000 0.472 203 F N 2.643 122.558 119.950 -0.058 0.000 2.075 203 F HA -0.091 4.436 4.527 0.001 0.000 0.297 203 F C 2.708 178.531 175.800 0.038 0.000 1.113 203 F CA 1.919 59.902 58.000 -0.029 0.000 1.218 203 F CB -0.559 38.393 39.000 -0.081 0.000 0.984 203 F HN 0.184 nan 8.300 nan 0.000 0.472 204 Q N -0.070 119.856 119.800 0.210 0.000 2.084 204 Q HA -0.211 4.130 4.340 0.001 0.000 0.202 204 Q C 2.140 178.206 176.000 0.110 0.000 0.978 204 Q CA 1.649 57.547 55.803 0.158 0.000 0.844 204 Q CB -0.346 28.478 28.738 0.145 0.000 0.898 204 Q HN 0.474 nan 8.270 nan 0.000 0.426 205 E N 0.624 120.866 120.200 0.069 0.000 2.097 205 E HA -0.200 4.151 4.350 0.001 0.000 0.196 205 E C 2.012 178.633 176.600 0.036 0.000 1.000 205 E CA 1.120 57.551 56.400 0.051 0.000 0.804 205 E CB -0.162 29.558 29.700 0.034 0.000 0.740 205 E HN 0.466 nan 8.360 nan 0.000 0.454 206 I N -0.130 120.439 120.570 -0.001 0.000 2.286 206 I HA -0.240 3.931 4.170 0.001 0.000 0.245 206 I C 2.494 178.619 176.117 0.013 0.000 1.104 206 I CA 0.718 62.013 61.300 -0.009 0.000 1.397 206 I CB -0.374 37.592 38.000 -0.057 0.000 1.072 206 I HN 0.038 nan 8.210 nan 0.000 0.417 207 Y N 2.341 122.527 120.300 -0.191 0.000 2.128 207 Y HA -0.373 4.178 4.550 0.001 0.000 0.284 207 Y C 2.936 178.838 175.900 0.003 0.000 1.154 207 Y CA 2.487 60.505 58.100 -0.137 0.000 1.149 207 Y CB -0.610 37.722 38.460 -0.212 0.000 0.976 207 Y HN 0.306 nan 8.280 nan 0.000 0.505 208 T N -1.559 113.064 114.554 0.114 0.000 2.803 208 T HA -0.221 4.130 4.350 0.001 0.000 0.269 208 T C 1.835 176.516 174.700 -0.032 0.000 1.052 208 T CA 1.866 63.992 62.100 0.043 0.000 1.136 208 T CB -0.906 68.020 68.868 0.097 0.000 0.864 208 T HN 0.488 nan 8.240 nan 0.000 0.467 209 I N 0.893 121.458 120.570 -0.007 0.000 2.761 209 I HA 0.054 4.225 4.170 0.001 0.000 0.261 209 I C 1.317 177.418 176.117 -0.026 0.000 1.198 209 I CA -0.304 61.000 61.300 0.006 0.000 1.482 209 I CB -0.403 37.631 38.000 0.057 0.000 1.100 209 I HN 0.352 nan 8.210 nan 0.000 0.445 210 C N 1.522 120.779 119.300 -0.071 0.000 2.470 210 C HA 0.463 4.924 4.460 0.001 0.000 0.350 210 C C 1.146 176.012 174.990 -0.207 0.000 1.341 210 C CA -0.665 58.269 59.018 -0.140 0.000 2.440 210 C CB 0.430 28.105 27.740 -0.108 0.000 2.295 210 C HN 0.501 nan 8.230 nan 0.000 0.645 211 E N -0.467 119.582 120.200 -0.251 0.000 2.349 211 E HA 0.409 4.760 4.350 0.001 0.000 0.262 211 E C 0.445 176.952 176.600 -0.155 0.000 1.088 211 E CA 0.186 56.470 56.400 -0.193 0.000 0.899 211 E CB 0.081 29.666 29.700 -0.191 0.000 1.044 211 E HN 0.998 nan 8.360 nan 0.000 0.420 212 S N 0.131 115.775 115.700 -0.093 0.000 3.631 212 S HA -0.209 4.262 4.470 0.001 0.000 0.366 212 S C 0.563 175.142 174.600 -0.036 0.000 0.993 212 S CA 0.888 59.068 58.200 -0.033 0.000 1.167 212 S CB -1.848 61.357 63.200 0.008 0.000 0.909 212 S HN 1.003 nan 8.310 nan 0.000 0.478 213 N N -0.102 118.531 118.700 -0.113 0.000 2.471 213 N HA 0.203 4.944 4.740 0.001 0.000 0.205 213 N C 0.632 176.213 175.510 0.118 0.000 1.251 213 N CA 0.594 53.534 53.050 -0.183 0.000 0.843 213 N CB -0.728 37.637 38.487 -0.203 0.000 1.044 213 N HN 0.719 nan 8.380 nan 0.000 0.461 214 N N -0.330 118.434 118.700 0.106 0.000 2.159 214 N HA 0.095 4.836 4.740 0.001 0.000 0.217 214 N C -0.268 175.312 175.510 0.116 0.000 1.223 214 N CA -0.311 52.807 53.050 0.113 0.000 0.896 214 N CB 0.227 38.751 38.487 0.062 0.000 1.064 214 N HN 0.287 nan 8.380 nan 0.000 0.518 215 E N 1.263 121.548 120.200 0.141 0.000 2.133 215 E HA 0.357 4.708 4.350 0.001 0.000 0.274 215 E C -0.803 175.903 176.600 0.176 0.000 0.930 215 E CA -0.435 56.038 56.400 0.122 0.000 0.770 215 E CB 0.751 30.511 29.700 0.099 0.000 1.104 215 E HN 0.345 nan 8.360 nan 0.000 0.403 216 K N 3.585 124.045 120.400 0.100 0.000 2.295 216 K HA 0.270 4.591 4.320 0.001 0.000 0.270 216 K C 0.039 176.672 176.600 0.055 0.000 1.011 216 K CA -0.261 56.062 56.287 0.061 0.000 0.953 216 K CB 0.785 33.271 32.500 -0.024 0.000 0.956 216 K HN 0.545 nan 8.250 nan 0.000 0.477 217 I N 2.202 122.794 120.570 0.037 0.000 2.371 217 I HA -0.001 4.170 4.170 0.001 0.000 0.290 217 I C 0.153 176.275 176.117 0.008 0.000 1.028 217 I CA -0.211 61.102 61.300 0.022 0.000 1.345 217 I CB 0.929 38.942 38.000 0.021 0.000 1.407 217 I HN 0.598 nan 8.210 nan 0.000 0.501 218 D N 6.153 126.553 120.400 -0.000 0.000 2.193 218 D HA 0.664 5.305 4.640 0.001 0.000 0.249 218 D C -1.075 175.199 176.300 -0.043 0.000 1.034 218 D CA -0.272 53.716 54.000 -0.019 0.000 0.902 218 D CB 1.524 42.302 40.800 -0.037 0.000 1.182 218 D HN 0.309 nan 8.370 nan 0.000 0.436 219 I N 1.252 121.801 120.570 -0.034 0.000 2.787 219 I HA 0.364 4.535 4.170 0.001 0.000 0.294 219 I C -1.552 174.537 176.117 -0.046 0.000 1.365 219 I CA -0.106 61.149 61.300 -0.075 0.000 1.029 219 I CB 2.349 40.325 38.000 -0.040 0.000 1.313 219 I HN 0.355 nan 8.210 nan 0.000 0.431 220 T N 7.625 122.101 114.554 -0.130 0.000 2.812 220 T HA 0.693 5.044 4.350 0.001 0.000 0.282 220 T C -0.572 174.133 174.700 0.009 0.000 0.990 220 T CA -0.136 61.956 62.100 -0.014 0.000 0.960 220 T CB 0.762 69.653 68.868 0.039 0.000 0.948 220 T HN 0.349 nan 8.240 nan 0.000 0.438 221 I N 2.958 123.527 120.570 -0.002 0.000 2.378 221 I HA 0.328 4.499 4.170 0.001 0.000 0.291 221 I C -0.166 175.900 176.117 -0.085 0.000 0.992 221 I CA -0.768 60.443 61.300 -0.148 0.000 1.154 221 I CB 1.565 39.359 38.000 -0.342 0.000 1.315 221 I HN 0.484 nan 8.210 nan 0.000 0.448 222 D N 5.803 126.160 120.400 -0.071 0.000 2.428 222 D HA 0.365 5.006 4.640 0.001 0.000 0.221 222 D C 0.474 176.741 176.300 -0.056 0.000 1.123 222 D CA -0.418 53.597 54.000 0.025 0.000 0.869 222 D CB 1.556 42.445 40.800 0.148 0.000 1.032 222 D HN 0.610 nan 8.370 nan 0.000 0.506 223 A N 3.636 126.448 122.820 -0.013 0.000 2.327 223 A HA 0.490 4.811 4.320 0.001 0.000 0.228 223 A C 1.603 179.294 177.584 0.178 0.000 1.275 223 A CA 0.397 52.479 52.037 0.075 0.000 0.875 223 A CB -0.742 18.329 19.000 0.119 0.000 0.925 223 A HN 1.281 nan 8.150 nan 0.000 0.493 224 A N -0.157 122.752 122.820 0.148 0.000 2.799 224 A HA -0.285 4.036 4.320 0.001 0.000 0.274 224 A C 0.792 178.470 177.584 0.157 0.000 1.393 224 A CA 1.013 53.142 52.037 0.153 0.000 0.909 224 A CB -2.344 16.773 19.000 0.194 0.000 1.012 224 A HN 1.201 nan 8.150 nan 0.000 0.653 225 N N -2.760 116.037 118.700 0.162 0.000 2.725 225 N HA -0.171 4.570 4.740 0.001 0.000 0.249 225 N C 0.445 176.086 175.510 0.219 0.000 1.103 225 N CA 1.746 54.905 53.050 0.182 0.000 0.707 225 N CB -1.543 37.030 38.487 0.143 0.000 1.043 225 N HN 1.767 nan 8.380 nan 0.000 0.553 226 G N -1.149 107.782 108.800 0.219 0.000 2.820 226 G HA2 0.484 4.445 3.960 0.001 0.000 0.291 226 G HA3 0.484 4.445 3.960 0.001 0.000 0.291 226 G C 0.925 175.916 174.900 0.153 0.000 1.323 226 G CA -0.012 45.208 45.100 0.200 0.000 1.055 226 G HN 0.106 nan 8.290 nan 0.000 0.520 227 V N 0.619 120.584 119.914 0.086 0.000 2.828 227 V HA -0.030 4.090 4.120 0.001 0.000 0.260 227 V C 2.430 178.515 176.094 -0.016 0.000 1.101 227 V CA 2.792 65.069 62.300 -0.039 0.000 1.123 227 V CB -0.658 31.171 31.823 0.011 0.000 0.704 227 V HN 0.834 nan 8.190 nan 0.000 0.493 228 G N -1.087 107.772 108.800 0.097 0.000 2.509 228 G HA2 -0.104 3.857 3.960 0.001 0.000 0.218 228 G HA3 -0.104 3.857 3.960 0.001 0.000 0.218 228 G C 1.647 176.691 174.900 0.240 0.000 1.124 228 G CA 0.869 46.076 45.100 0.178 0.000 0.776 228 G HN 0.718 nan 8.290 nan 0.000 0.547 229 A N 1.992 124.908 122.820 0.159 0.000 1.845 229 A HA 0.036 4.356 4.320 0.001 0.000 0.215 229 A C 0.994 178.625 177.584 0.078 0.000 1.195 229 A CA 1.814 53.936 52.037 0.142 0.000 0.616 229 A CB -1.103 18.008 19.000 0.186 0.000 0.832 229 A HN 0.379 nan 8.150 nan 0.000 0.443 230 P HA -0.151 nan 4.420 nan 0.000 0.218 230 P C 0.715 178.037 177.300 0.037 0.000 1.149 230 P CA 1.120 64.200 63.100 -0.033 0.000 0.817 230 P CB -0.071 31.480 31.700 -0.249 0.000 0.785 231 K N -0.213 120.220 120.400 0.055 0.000 2.062 231 K HA -0.068 4.253 4.320 0.001 0.000 0.205 231 K C 2.168 178.803 176.600 0.058 0.000 1.051 231 K CA 0.665 57.040 56.287 0.147 0.000 0.941 231 K CB -1.348 31.248 32.500 0.160 0.000 0.719 231 K HN 0.177 nan 8.250 nan 0.000 0.440 232 I N 1.911 122.519 120.570 0.063 0.000 2.315 232 I HA -0.255 3.916 4.170 0.001 0.000 0.248 232 I C 2.468 178.448 176.117 -0.228 0.000 1.117 232 I CA 1.389 62.667 61.300 -0.036 0.000 1.404 232 I CB -0.273 37.808 38.000 0.135 0.000 1.071 232 I HN 0.116 nan 8.210 nan 0.000 0.419 233 Q N 0.983 120.729 119.800 -0.090 0.000 2.030 233 Q HA -0.295 4.046 4.340 0.001 0.000 0.204 233 Q C 2.186 178.144 176.000 -0.071 0.000 0.986 233 Q CA 2.476 58.266 55.803 -0.023 0.000 0.843 233 Q CB -0.497 28.325 28.738 0.141 0.000 0.904 233 Q HN 0.572 nan 8.270 nan 0.000 0.420 234 E N -0.376 119.781 120.200 -0.071 0.000 2.038 234 E HA -0.185 4.166 4.350 0.001 0.000 0.195 234 E C 1.819 178.255 176.600 -0.273 0.000 1.000 234 E CA 1.463 57.796 56.400 -0.112 0.000 0.803 234 E CB -0.706 28.955 29.700 -0.065 0.000 0.750 234 E HN 0.395 nan 8.360 nan 0.000 0.448 235 L N 0.234 121.125 121.223 -0.553 0.000 1.989 235 L HA -0.140 4.201 4.340 0.001 0.000 0.211 235 L C 2.252 178.940 176.870 -0.304 0.000 1.071 235 L CA 1.887 56.352 54.840 -0.625 0.000 0.749 235 L CB -0.653 41.042 42.059 -0.606 0.000 0.890 235 L HN 0.322 nan 8.230 nan 0.000 0.431 236 L N -0.924 120.050 121.223 -0.414 0.000 2.072 236 L HA -0.134 4.207 4.340 0.001 0.000 0.205 236 L C 2.581 179.388 176.870 -0.105 0.000 1.079 236 L CA 1.313 55.889 54.840 -0.440 0.000 0.752 236 L CB -0.639 40.780 42.059 -1.067 0.000 0.906 236 L HN 0.328 nan 8.230 nan 0.000 0.436 237 E N 0.536 120.746 120.200 0.017 0.000 2.072 237 E HA -0.165 4.186 4.350 0.001 0.000 0.190 237 E C 2.100 178.749 176.600 0.081 0.000 0.982 237 E CA 1.308 57.851 56.400 0.238 0.000 0.803 237 E CB 0.169 30.030 29.700 0.269 0.000 0.755 237 E HN 0.118 nan 8.360 nan 0.000 0.453 238 K N -0.773 119.624 120.400 -0.004 0.000 2.186 238 K HA -0.023 4.298 4.320 0.001 0.000 0.202 238 K C 1.656 178.099 176.600 -0.261 0.000 1.052 238 K CA 0.956 57.152 56.287 -0.152 0.000 0.965 238 K CB -0.124 32.236 32.500 -0.235 0.000 0.746 238 K HN 0.296 nan 8.250 nan 0.000 0.457 239 Y N -0.479 119.751 120.300 -0.118 0.000 2.498 239 Y HA 0.257 4.808 4.550 0.002 0.000 0.259 239 Y C 1.365 177.210 175.900 -0.092 0.000 1.086 239 Y CA 0.102 58.141 58.100 -0.102 0.000 1.287 239 Y CB 0.465 38.838 38.460 -0.145 0.000 1.146 239 Y HN -0.195 nan 8.280 nan 0.000 0.523 240 L N -0.657 120.587 121.223 0.036 0.000 3.288 240 L HA 0.235 4.576 4.340 0.001 0.000 0.293 240 L C 1.187 178.047 176.870 -0.017 0.000 1.294 240 L CA -0.017 54.792 54.840 -0.053 0.000 1.006 240 L CB 0.003 41.926 42.059 -0.227 0.000 1.407 240 L HN 0.147 nan 8.230 nan 0.000 0.592 241 H N 0.936 119.991 119.070 -0.026 0.000 2.421 241 H HA -0.116 4.440 4.556 0.001 0.000 0.298 241 H C 1.914 177.234 175.328 -0.013 0.000 1.087 241 H CA 1.806 57.860 56.048 0.009 0.000 1.330 241 H CB 0.418 30.186 29.762 0.009 0.000 1.388 241 H HN 0.208 nan 8.280 nan 0.000 0.526 242 K N -0.462 119.915 120.400 -0.039 0.000 2.167 242 K HA -0.052 4.268 4.320 0.001 0.000 0.203 242 K C 1.442 177.949 176.600 -0.156 0.000 1.052 242 K CA 1.364 57.602 56.287 -0.082 0.000 0.956 242 K CB 0.354 32.853 32.500 -0.001 0.000 0.735 242 K HN 0.349 nan 8.250 nan 0.000 0.451 243 E N -0.165 119.890 120.200 -0.242 0.000 2.431 243 E HA 0.197 4.548 4.350 0.001 0.000 0.200 243 E C -0.045 176.398 176.600 -0.261 0.000 0.995 243 E CA 0.314 56.435 56.400 -0.465 0.000 0.915 243 E CB 0.642 29.890 29.700 -0.754 0.000 0.930 243 E HN 0.118 nan 8.360 nan 0.000 0.496 244 I N 0.563 121.031 120.570 -0.171 0.000 2.619 244 I HA 0.274 4.445 4.170 0.001 0.000 0.292 244 I C -0.800 175.316 176.117 -0.002 0.000 1.100 244 I CA -1.046 60.202 61.300 -0.087 0.000 1.043 244 I CB 2.290 40.203 38.000 -0.145 0.000 1.239 244 I HN -0.132 nan 8.210 nan 0.000 0.420 245 S N 5.421 121.136 115.700 0.025 0.000 2.472 245 S HA 0.877 5.348 4.470 0.001 0.000 0.303 245 S C -0.739 173.933 174.600 0.120 0.000 1.099 245 S CA -0.563 57.646 58.200 0.016 0.000 1.077 245 S CB 1.573 64.740 63.200 -0.054 0.000 1.031 245 S HN 0.555 nan 8.310 nan 0.000 0.487 246 F N -1.255 118.655 119.950 -0.066 0.000 2.745 246 F HA 0.899 5.427 4.527 0.002 0.000 0.316 246 F C -1.064 174.717 175.800 -0.032 0.000 1.155 246 F CA -0.832 57.132 58.000 -0.060 0.000 0.937 246 F CB 1.313 40.272 39.000 -0.067 0.000 1.361 246 F HN 0.539 nan 8.300 nan 0.000 0.472 247 T N 1.239 115.830 114.554 0.062 0.000 2.956 247 T HA 0.614 4.965 4.350 0.001 0.000 0.312 247 T C -1.740 173.063 174.700 0.172 0.000 1.151 247 T CA -0.650 61.451 62.100 0.001 0.000 1.024 247 T CB 2.123 70.987 68.868 -0.006 0.000 1.140 247 T HN 0.634 nan 8.240 nan 0.000 0.473 248 V N 3.164 123.173 119.914 0.158 0.000 2.487 248 V HA 0.747 4.868 4.120 0.001 0.000 0.298 248 V C -0.077 176.079 176.094 0.103 0.000 1.028 248 V CA -0.766 61.621 62.300 0.146 0.000 0.860 248 V CB 1.614 33.549 31.823 0.186 0.000 0.991 248 V HN 0.810 nan 8.190 nan 0.000 0.427 249 V N 1.886 121.853 119.914 0.088 0.000 2.815 249 V HA 0.694 4.814 4.120 0.001 0.000 0.314 249 V C 0.079 176.221 176.094 0.080 0.000 1.064 249 V CA -0.992 61.357 62.300 0.082 0.000 0.952 249 V CB 1.781 33.655 31.823 0.085 0.000 1.020 249 V HN 0.874 nan 8.190 nan 0.000 0.439 250 N N 2.076 120.823 118.700 0.078 0.000 2.708 250 N HA -0.139 4.602 4.740 0.001 0.000 0.255 250 N C 0.596 176.178 175.510 0.119 0.000 1.046 250 N CA 1.087 54.189 53.050 0.086 0.000 0.715 250 N CB -1.104 37.426 38.487 0.072 0.000 0.895 250 N HN 1.380 nan 8.380 nan 0.000 0.545 251 G N -0.666 108.215 108.800 0.136 0.000 3.774 251 G HA2 0.076 4.037 3.960 0.001 0.000 0.287 251 G HA3 0.076 4.037 3.960 0.001 0.000 0.287 251 G C 0.099 175.145 174.900 0.242 0.000 1.030 251 G CA -0.197 45.022 45.100 0.199 0.000 0.824 251 G HN 0.218 nan 8.290 nan 0.000 0.518 252 D N 0.914 121.409 120.400 0.157 0.000 2.713 252 D HA 0.084 4.725 4.640 0.001 0.000 0.229 252 D C 1.512 177.857 176.300 0.077 0.000 1.136 252 D CA -0.938 53.107 54.000 0.075 0.000 1.010 252 D CB -0.308 40.514 40.800 0.037 0.000 1.084 252 D HN 0.537 nan 8.370 nan 0.000 0.495 253 Y N -0.245 120.100 120.300 0.075 0.000 2.574 253 Y HA 0.087 4.638 4.550 0.001 0.000 0.294 253 Y C 1.636 177.573 175.900 0.061 0.000 1.142 253 Y CA 0.318 58.464 58.100 0.076 0.000 1.314 253 Y CB -0.056 38.459 38.460 0.093 0.000 0.991 253 Y HN -0.094 nan 8.280 nan 0.000 0.555 254 K N 0.746 120.860 120.400 -0.477 0.000 2.288 254 K HA 0.017 4.338 4.320 0.001 0.000 0.201 254 K C 0.188 176.710 176.600 -0.129 0.000 1.048 254 K CA 0.722 56.800 56.287 -0.349 0.000 0.956 254 K CB 0.058 32.331 32.500 -0.379 0.000 0.746 254 K HN 0.484 nan 8.250 nan 0.000 0.461 255 Q N 0.811 120.565 119.800 -0.078 0.000 2.563 255 Q HA 0.138 4.479 4.340 0.001 0.000 0.232 255 Q C -1.923 174.072 176.000 -0.008 0.000 1.106 255 Q CA -1.755 54.025 55.803 -0.038 0.000 0.913 255 Q CB 1.120 29.838 28.738 -0.034 0.000 1.175 255 Q HN 0.059 nan 8.270 nan 0.000 0.540 256 P HA -0.278 nan 4.420 nan 0.000 0.217 256 P C 0.428 177.724 177.300 -0.005 0.000 1.148 256 P CA 1.737 64.847 63.100 0.018 0.000 0.834 256 P CB 0.181 31.890 31.700 0.015 0.000 0.783 257 N N 0.197 118.869 118.700 -0.047 0.000 2.364 257 N HA -0.116 4.625 4.740 0.001 0.000 0.183 257 N C 1.690 177.109 175.510 -0.150 0.000 1.022 257 N CA 0.886 53.868 53.050 -0.114 0.000 0.883 257 N CB -1.307 37.090 38.487 -0.150 0.000 0.965 257 N HN 0.221 nan 8.380 nan 0.000 0.438 258 L N -0.477 120.715 121.223 -0.051 0.000 2.592 258 L HA 0.258 4.599 4.340 0.001 0.000 0.227 258 L C 0.306 177.253 176.870 0.128 0.000 1.127 258 L CA -0.537 54.325 54.840 0.037 0.000 0.884 258 L CB -0.220 41.876 42.059 0.062 0.000 1.065 258 L HN 0.214 nan 8.230 nan 0.000 0.457 259 L N 1.994 123.277 121.223 0.099 0.000 2.534 259 L HA 0.019 4.360 4.340 0.001 0.000 0.271 259 L C 0.887 177.854 176.870 0.162 0.000 1.178 259 L CA 0.634 55.552 54.840 0.129 0.000 0.907 259 L CB -0.336 41.788 42.059 0.108 0.000 1.164 259 L HN 0.260 nan 8.230 nan 0.000 0.482 260 N N 2.986 121.783 118.700 0.161 0.000 2.732 260 N HA -0.340 4.401 4.740 0.001 0.000 0.250 260 N C -0.238 175.357 175.510 0.143 0.000 1.097 260 N CA 1.250 54.393 53.050 0.156 0.000 0.812 260 N CB -1.633 36.962 38.487 0.180 0.000 1.148 260 N HN 0.569 nan 8.380 nan 0.000 0.572 261 F N 2.444 122.370 119.950 -0.039 0.000 2.413 261 F HA 0.118 4.645 4.527 0.001 0.000 0.359 261 F C 0.658 176.308 175.800 -0.250 0.000 1.122 261 F CA -0.274 57.666 58.000 -0.099 0.000 1.160 261 F CB 0.446 39.411 39.000 -0.057 0.000 1.146 261 F HN -0.011 nan 8.300 nan 0.000 0.514 262 D N 3.235 123.075 120.400 -0.933 0.000 2.882 262 D HA -0.264 4.377 4.640 0.001 0.000 0.229 262 D C -0.398 175.165 176.300 -1.228 0.000 1.167 262 D CA 1.265 54.438 54.000 -1.379 0.000 0.759 262 D CB -1.465 38.762 40.800 -0.956 0.000 1.088 262 D HN 0.532 nan 8.370 nan 0.000 0.425 263 C N -4.249 114.594 119.300 -0.761 0.000 3.295 263 C HA 0.861 5.321 4.460 0.001 0.000 0.341 263 C C 0.450 175.431 174.990 -0.015 0.000 1.418 263 C CA 0.206 59.056 59.018 -0.280 0.000 1.240 263 C CB 1.678 29.345 27.740 -0.122 0.000 1.562 263 C HN 1.161 nan 8.230 nan 0.000 0.457 264 G N -0.465 108.403 108.800 0.113 0.000 2.629 264 G HA2 0.462 4.423 3.960 0.001 0.000 0.686 264 G HA3 0.462 4.423 3.960 0.001 0.000 0.686 264 G C 0.509 175.544 174.900 0.226 0.000 1.232 264 G CA 0.291 45.504 45.100 0.188 0.000 0.803 264 G HN 2.509 nan 8.290 nan 0.000 0.638 265 A N 0.077 123.043 122.820 0.244 0.000 1.892 265 A HA -0.035 4.285 4.320 0.001 0.000 0.218 265 A C 2.060 179.735 177.584 0.150 0.000 1.188 265 A CA 2.890 55.064 52.037 0.228 0.000 0.631 265 A CB -0.651 18.497 19.000 0.247 0.000 0.822 265 A HN 1.311 nan 8.150 nan 0.000 0.447 266 D N -2.089 118.380 120.400 0.116 0.000 2.097 266 D HA -0.221 4.420 4.640 0.001 0.000 0.195 266 D C 1.775 178.105 176.300 0.048 0.000 0.989 266 D CA 1.703 55.718 54.000 0.024 0.000 0.827 266 D CB -0.315 40.464 40.800 -0.035 0.000 0.966 266 D HN 0.531 nan 8.370 nan 0.000 0.456 267 Y N 0.336 120.624 120.300 -0.020 0.000 2.128 267 Y HA -0.199 4.352 4.550 0.001 0.000 0.284 267 Y C 2.127 177.961 175.900 -0.110 0.000 1.154 267 Y CA 1.567 59.628 58.100 -0.066 0.000 1.149 267 Y CB -0.467 37.949 38.460 -0.073 0.000 0.976 267 Y HN -0.074 nan 8.280 nan 0.000 0.505 268 V N 0.718 120.620 119.914 -0.019 0.000 2.295 268 V HA -0.277 3.844 4.120 0.001 0.000 0.246 268 V C 2.343 178.345 176.094 -0.153 0.000 1.049 268 V CA 2.338 64.537 62.300 -0.170 0.000 1.024 268 V CB -0.700 31.095 31.823 -0.046 0.000 0.648 268 V HN 0.319 nan 8.190 nan 0.000 0.447 269 K N 0.248 120.627 120.400 -0.035 0.000 2.103 269 K HA -0.111 4.210 4.320 0.001 0.000 0.204 269 K C 1.997 178.558 176.600 -0.065 0.000 1.052 269 K CA 2.038 58.324 56.287 -0.002 0.000 0.945 269 K CB -0.673 31.852 32.500 0.042 0.000 0.722 269 K HN 0.433 nan 8.250 nan 0.000 0.443 270 T N 0.904 115.386 114.554 -0.120 0.000 2.896 270 T HA 0.037 4.387 4.350 0.001 0.000 0.263 270 T C 1.110 175.685 174.700 -0.209 0.000 1.050 270 T CA 1.183 63.201 62.100 -0.137 0.000 1.140 270 T CB -0.135 68.659 68.868 -0.124 0.000 0.877 270 T HN 0.281 nan 8.240 nan 0.000 0.457 271 N N 0.978 119.463 118.700 -0.358 0.000 2.254 271 N HA 0.058 4.799 4.740 0.001 0.000 0.190 271 N C -0.151 175.113 175.510 -0.410 0.000 1.107 271 N CA 0.098 52.886 53.050 -0.436 0.000 0.869 271 N CB 0.261 38.305 38.487 -0.739 0.000 0.983 271 N HN 0.474 nan 8.380 nan 0.000 0.487 272 Q N 0.467 120.055 119.800 -0.352 0.000 2.451 272 Q HA -0.226 4.115 4.340 0.001 0.000 0.305 272 Q C -0.635 174.913 176.000 -0.754 0.000 1.345 272 Q CA 0.895 56.517 55.803 -0.300 0.000 0.854 272 Q CB -1.677 26.988 28.738 -0.121 0.000 1.162 272 Q HN 0.584 nan 8.270 nan 0.000 0.440 273 K N -1.507 118.203 120.400 -1.151 0.000 2.522 273 K HA 0.691 5.012 4.320 0.001 0.000 0.275 273 K C -0.709 175.079 176.600 -1.354 0.000 1.006 273 K CA -1.228 54.215 56.287 -1.407 0.000 0.890 273 K CB 1.277 33.356 32.500 -0.701 0.000 1.475 273 K HN 0.014 nan 8.250 nan 0.000 0.441 274 L N 2.174 122.827 121.223 -0.950 0.000 2.461 274 L HA 0.248 4.589 4.340 0.001 0.000 0.272 274 L C -1.774 174.965 176.870 -0.219 0.000 1.197 274 L CA -1.543 53.016 54.840 -0.469 0.000 0.836 274 L CB 0.265 42.203 42.059 -0.202 0.000 1.105 274 L HN 0.590 nan 8.230 nan 0.000 0.477 275 P HA 0.110 nan 4.420 nan 0.000 0.278 275 P C -1.089 176.169 177.300 -0.070 0.000 1.258 275 P CA -0.758 62.331 63.100 -0.019 0.000 0.811 275 P CB 0.955 32.670 31.700 0.025 0.000 1.063 276 K N 1.440 121.752 120.400 -0.147 0.000 2.469 276 K HA -0.059 4.262 4.320 0.001 0.000 0.274 276 K C 0.511 177.080 176.600 -0.052 0.000 0.983 276 K CA 0.576 56.793 56.287 -0.118 0.000 0.974 276 K CB -0.591 31.807 32.500 -0.170 0.000 0.913 276 K HN 0.527 nan 8.250 nan 0.000 0.493 277 N N -0.209 118.471 118.700 -0.032 0.000 2.878 277 N HA -0.175 4.566 4.740 0.001 0.000 0.247 277 N C -1.404 174.113 175.510 0.012 0.000 1.021 277 N CA 0.335 53.384 53.050 -0.002 0.000 0.873 277 N CB -0.634 37.861 38.487 0.014 0.000 1.128 277 N HN 0.118 nan 8.380 nan 0.000 0.571 278 V N 0.839 120.747 119.914 -0.010 0.000 2.334 278 V HA 0.599 4.720 4.120 0.001 0.000 0.281 278 V C 0.426 176.479 176.094 -0.069 0.000 1.016 278 V CA -0.236 62.047 62.300 -0.028 0.000 0.832 278 V CB 1.276 33.065 31.823 -0.057 0.000 0.999 278 V HN 0.188 nan 8.190 nan 0.000 0.439 279 K N 6.546 126.928 120.400 -0.030 0.000 2.360 279 K HA 0.571 4.892 4.320 0.001 0.000 0.235 279 K C -1.978 174.620 176.600 -0.004 0.000 1.077 279 K CA -1.571 54.705 56.287 -0.018 0.000 1.035 279 K CB 0.122 32.631 32.500 0.015 0.000 1.623 279 K HN 0.642 nan 8.250 nan 0.000 0.462 280 P HA 0.150 nan 4.420 nan 0.000 0.267 280 P C -0.409 176.984 177.300 0.154 0.000 1.200 280 P CA -0.216 62.862 63.100 -0.038 0.000 0.772 280 P CB 1.082 32.650 31.700 -0.221 0.000 0.855 281 V N 3.496 123.593 119.914 0.306 0.000 2.472 281 V HA 0.144 4.265 4.120 0.001 0.000 0.290 281 V C 0.977 177.200 176.094 0.215 0.000 1.037 281 V CA -0.702 61.718 62.300 0.199 0.000 0.908 281 V CB 0.658 32.581 31.823 0.166 0.000 0.985 281 V HN 0.568 nan 8.190 nan 0.000 0.454 282 N N 4.471 123.259 118.700 0.147 0.000 2.345 282 N HA -0.014 4.727 4.740 0.001 0.000 0.243 282 N C 0.551 176.159 175.510 0.163 0.000 1.246 282 N CA 0.190 53.332 53.050 0.153 0.000 0.863 282 N CB -0.017 38.532 38.487 0.104 0.000 1.096 282 N HN 0.758 nan 8.380 nan 0.000 0.446 283 N N -0.356 118.478 118.700 0.223 0.000 2.713 283 N HA -0.215 4.526 4.740 0.001 0.000 0.251 283 N C -0.611 174.926 175.510 0.044 0.000 1.117 283 N CA 1.147 54.267 53.050 0.117 0.000 0.770 283 N CB -0.667 37.840 38.487 0.034 0.000 1.137 283 N HN 0.641 nan 8.380 nan 0.000 0.566 284 K N 0.967 121.443 120.400 0.126 0.000 2.159 284 K HA 0.369 4.690 4.320 0.001 0.000 0.266 284 K C -0.276 176.295 176.600 -0.048 0.000 0.975 284 K CA -0.662 55.619 56.287 -0.011 0.000 0.865 284 K CB 0.976 33.445 32.500 -0.052 0.000 1.087 284 K HN 0.014 nan 8.250 nan 0.000 0.446 285 L N 4.981 126.102 121.223 -0.169 0.000 2.360 285 L HA 0.263 4.604 4.340 0.001 0.000 0.276 285 L C -1.525 175.120 176.870 -0.375 0.000 1.121 285 L CA 0.350 55.104 54.840 -0.143 0.000 0.845 285 L CB 0.056 42.078 42.059 -0.061 0.000 1.143 285 L HN 0.526 nan 8.230 nan 0.000 0.452 286 Y N 3.491 123.630 120.300 -0.268 0.000 2.562 286 Y HA 0.808 5.359 4.550 0.001 0.000 0.343 286 Y C 0.111 175.627 175.900 -0.639 0.000 1.025 286 Y CA -0.538 57.305 58.100 -0.429 0.000 1.082 286 Y CB 2.020 40.182 38.460 -0.496 0.000 1.264 286 Y HN 0.711 nan 8.280 nan 0.000 0.478 287 A N 0.909 123.577 122.820 -0.253 0.000 2.449 287 A HA 0.818 5.139 4.320 0.001 0.000 0.302 287 A C -1.223 176.359 177.584 -0.003 0.000 1.048 287 A CA -0.674 51.279 52.037 -0.139 0.000 0.708 287 A CB 1.459 20.435 19.000 -0.039 0.000 1.274 287 A HN 0.537 nan 8.150 nan 0.000 0.410 288 S N 0.843 116.666 115.700 0.205 0.000 2.502 288 S HA 0.716 5.187 4.470 0.001 0.000 0.304 288 S C -0.803 174.009 174.600 0.353 0.000 1.097 288 S CA -0.271 58.082 58.200 0.255 0.000 1.045 288 S CB 0.553 64.008 63.200 0.424 0.000 1.019 288 S HN 0.504 nan 8.310 nan 0.000 0.481 289 F N 2.015 122.074 119.950 0.182 0.000 2.457 289 F HA 0.414 4.942 4.527 0.002 0.000 0.330 289 F C 0.915 176.812 175.800 0.163 0.000 1.069 289 F CA -1.194 56.899 58.000 0.156 0.000 1.009 289 F CB 1.062 40.137 39.000 0.124 0.000 1.276 289 F HN 0.541 nan 8.300 nan 0.000 0.492 290 D N 0.225 120.840 120.400 0.358 0.000 2.529 290 D HA 0.188 4.829 4.640 0.001 0.000 0.273 290 D C 1.123 177.573 176.300 0.250 0.000 1.197 290 D CA -0.392 53.775 54.000 0.278 0.000 1.070 290 D CB 0.526 41.481 40.800 0.260 0.000 1.134 290 D HN 0.579 nan 8.370 nan 0.000 0.590 291 G N -0.152 108.776 108.800 0.214 0.000 2.469 291 G HA2 -0.279 3.682 3.960 0.001 0.000 0.219 291 G HA3 -0.279 3.682 3.960 0.001 0.000 0.219 291 G C 0.840 175.820 174.900 0.133 0.000 1.150 291 G CA 1.450 46.652 45.100 0.170 0.000 0.763 291 G HN 0.744 nan 8.290 nan 0.000 0.561 292 D N -0.649 119.814 120.400 0.106 0.000 2.368 292 D HA 0.372 5.013 4.640 0.001 0.000 0.218 292 D C 1.189 177.497 176.300 0.013 0.000 1.112 292 D CA 0.314 54.350 54.000 0.061 0.000 0.834 292 D CB -0.314 40.517 40.800 0.052 0.000 0.953 292 D HN 0.639 nan 8.370 nan 0.000 0.505 293 A N 1.977 124.805 122.820 0.013 0.000 2.739 293 A HA -0.193 4.128 4.320 0.001 0.000 0.296 293 A C 0.572 178.073 177.584 -0.139 0.000 1.488 293 A CA 1.170 53.114 52.037 -0.153 0.000 0.746 293 A CB -2.223 16.591 19.000 -0.309 0.000 1.047 293 A HN 0.526 nan 8.150 nan 0.000 0.477 294 D N -1.675 118.732 120.400 0.011 0.000 2.503 294 D HA 0.225 4.866 4.640 0.001 0.000 0.218 294 D C 0.443 176.868 176.300 0.208 0.000 1.183 294 D CA 0.103 54.151 54.000 0.080 0.000 0.827 294 D CB 0.134 41.033 40.800 0.165 0.000 1.034 294 D HN 0.634 nan 8.370 nan 0.000 0.510 295 R N 0.198 120.806 120.500 0.180 0.000 2.575 295 R HA 0.569 4.909 4.340 0.001 0.000 0.293 295 R C -1.645 174.804 176.300 0.249 0.000 0.983 295 R CA -0.989 55.253 56.100 0.237 0.000 0.887 295 R CB 2.342 32.785 30.300 0.239 0.000 1.184 295 R HN 0.025 nan 8.270 nan 0.000 0.445 296 L N 4.288 125.680 121.223 0.281 0.000 2.356 296 L HA 0.577 4.918 4.340 0.001 0.000 0.277 296 L C -1.385 175.665 176.870 0.301 0.000 0.996 296 L CA -0.523 54.518 54.840 0.336 0.000 0.822 296 L CB 1.638 43.894 42.059 0.328 0.000 1.256 296 L HN 0.507 nan 8.230 nan 0.000 0.413 297 I N 4.805 125.561 120.570 0.310 0.000 2.478 297 I HA 0.341 4.512 4.170 0.001 0.000 0.287 297 I C -0.483 175.820 176.117 0.310 0.000 1.042 297 I CA -0.217 61.256 61.300 0.288 0.000 1.067 297 I CB 1.490 39.670 38.000 0.299 0.000 1.233 297 I HN 0.632 nan 8.210 nan 0.000 0.431 298 C N 6.314 125.729 119.300 0.191 0.000 2.345 298 C HA 0.885 5.345 4.460 0.001 0.000 0.370 298 C C -0.429 174.582 174.990 0.036 0.000 1.209 298 C CA -0.248 58.771 59.018 0.001 0.000 2.133 298 C CB 1.424 29.166 27.740 0.003 0.000 2.293 298 C HN 0.779 nan 8.230 nan 0.000 0.544 299 Y N -1.283 119.002 120.300 -0.025 0.000 2.810 299 Y HA 0.644 5.195 4.550 0.001 0.000 0.355 299 Y C -1.023 174.892 175.900 0.024 0.000 1.211 299 Y CA -1.650 56.332 58.100 -0.197 0.000 1.112 299 Y CB 0.380 38.606 38.460 -0.390 0.000 1.383 299 Y HN 0.816 nan 8.280 nan 0.000 0.458 300 Y N -0.502 119.737 120.300 -0.101 0.000 2.670 300 Y HA 0.678 5.229 4.550 0.001 0.000 0.334 300 Y C -1.735 174.140 175.900 -0.042 0.000 1.185 300 Y CA -1.375 56.740 58.100 0.024 0.000 1.053 300 Y CB 1.960 40.397 38.460 -0.039 0.000 1.298 300 Y HN 0.903 nan 8.280 nan 0.000 0.459 301 Q N 2.779 122.586 119.800 0.011 0.000 2.316 301 Q HA 0.420 4.761 4.340 0.001 0.000 0.264 301 Q C -1.088 174.915 176.000 0.004 0.000 0.987 301 Q CA -0.972 54.772 55.803 -0.099 0.000 0.852 301 Q CB 1.337 30.097 28.738 0.037 0.000 1.287 301 Q HN 0.863 nan 8.270 nan 0.000 0.448 302 N N 2.574 121.211 118.700 -0.106 0.000 2.418 302 N HA 0.099 4.840 4.740 0.001 0.000 0.283 302 N C 0.111 175.652 175.510 0.053 0.000 1.267 302 N CA -0.358 52.726 53.050 0.058 0.000 0.975 302 N CB 0.203 38.697 38.487 0.013 0.000 1.167 302 N HN 0.551 nan 8.380 nan 0.000 0.581 303 N N -0.747 117.988 118.700 0.058 0.000 2.573 303 N HA -0.063 4.678 4.740 0.001 0.000 0.187 303 N C -0.538 174.985 175.510 0.020 0.000 1.107 303 N CA 0.681 53.755 53.050 0.040 0.000 0.918 303 N CB -0.200 38.309 38.487 0.036 0.000 0.966 303 N HN 0.542 nan 8.380 nan 0.000 0.448 304 D N 0.216 120.621 120.400 0.008 0.000 2.424 304 D HA 0.107 4.748 4.640 0.001 0.000 0.220 304 D C -0.028 176.268 176.300 -0.006 0.000 1.150 304 D CA -0.184 53.816 54.000 -0.001 0.000 0.831 304 D CB -0.007 40.788 40.800 -0.008 0.000 0.981 304 D HN -0.004 nan 8.370 nan 0.000 0.500 305 N N 0.743 119.442 118.700 -0.002 0.000 2.782 305 N HA -0.182 4.559 4.740 0.001 0.000 0.251 305 N C -0.273 175.229 175.510 -0.014 0.000 1.101 305 N CA 0.715 53.764 53.050 -0.002 0.000 0.764 305 N CB -1.126 37.361 38.487 -0.001 0.000 1.122 305 N HN 0.394 nan 8.380 nan 0.000 0.561 306 K N 0.190 120.568 120.400 -0.038 0.000 2.205 306 K HA 0.244 4.565 4.320 0.001 0.000 0.279 306 K C 0.117 176.665 176.600 -0.087 0.000 1.027 306 K CA -0.592 55.666 56.287 -0.047 0.000 0.932 306 K CB 0.728 33.187 32.500 -0.068 0.000 1.032 306 K HN 0.050 nan 8.250 nan 0.000 0.466 307 F N 3.883 123.722 119.950 -0.186 0.000 2.472 307 F HA 0.083 4.611 4.527 0.001 0.000 0.364 307 F C -0.206 175.428 175.800 -0.277 0.000 1.090 307 F CA -0.165 57.702 58.000 -0.221 0.000 1.188 307 F CB 0.485 39.368 39.000 -0.195 0.000 1.105 307 F HN 0.128 nan 8.300 nan 0.000 0.536 308 K N 8.348 128.129 120.400 -1.030 0.000 2.389 308 K HA 0.273 4.594 4.320 0.001 0.000 0.261 308 K C -1.057 174.966 176.600 -0.961 0.000 1.014 308 K CA -0.860 54.877 56.287 -0.917 0.000 0.920 308 K CB 1.687 33.493 32.500 -1.156 0.000 1.149 308 K HN 0.679 nan 8.250 nan 0.000 0.444 309 L N 3.630 124.432 121.223 -0.700 0.000 2.410 309 L HA 0.208 4.549 4.340 0.001 0.000 0.273 309 L C -0.546 176.152 176.870 -0.287 0.000 1.152 309 L CA 0.206 54.810 54.840 -0.394 0.000 0.855 309 L CB 0.263 42.299 42.059 -0.037 0.000 1.129 309 L HN 0.531 nan 8.230 nan 0.000 0.463 310 L N 5.581 126.669 121.223 -0.225 0.000 2.445 310 L HA 0.321 4.661 4.340 0.001 0.000 0.252 310 L C -0.451 176.357 176.870 -0.105 0.000 1.105 310 L CA -0.808 53.834 54.840 -0.330 0.000 0.943 310 L CB 0.536 42.214 42.059 -0.635 0.000 1.277 310 L HN 0.720 nan 8.230 nan 0.000 0.465 311 D N 0.745 121.126 120.400 -0.032 0.000 2.425 311 D HA 0.094 4.734 4.640 0.001 0.000 0.274 311 D C 1.505 177.837 176.300 0.053 0.000 1.242 311 D CA 0.046 54.081 54.000 0.058 0.000 1.060 311 D CB 0.468 41.322 40.800 0.089 0.000 1.112 311 D HN 0.189 nan 8.370 nan 0.000 0.561 312 G N -1.005 107.860 108.800 0.109 0.000 2.469 312 G HA2 -0.275 3.686 3.960 0.001 0.000 0.220 312 G HA3 -0.275 3.686 3.960 0.001 0.000 0.220 312 G C 1.057 175.939 174.900 -0.030 0.000 1.136 312 G CA 0.918 46.085 45.100 0.112 0.000 0.759 312 G HN 0.550 nan 8.290 nan 0.000 0.562 313 D N -0.017 120.424 120.400 0.068 0.000 2.289 313 D HA 0.002 4.643 4.640 0.001 0.000 0.207 313 D C 2.298 178.663 176.300 0.108 0.000 0.966 313 D CA 0.380 54.429 54.000 0.083 0.000 0.868 313 D CB 0.067 40.949 40.800 0.138 0.000 0.943 313 D HN 0.162 nan 8.370 nan 0.000 0.514 314 K N 0.754 121.217 120.400 0.105 0.000 2.155 314 K HA 0.015 4.336 4.320 0.001 0.000 0.203 314 K C 2.294 179.023 176.600 0.216 0.000 1.052 314 K CA 0.183 56.575 56.287 0.175 0.000 0.948 314 K CB -0.087 32.365 32.500 -0.079 0.000 0.728 314 K HN 0.250 nan 8.250 nan 0.000 0.448 315 L N 1.011 122.172 121.223 -0.104 0.000 2.023 315 L HA -0.164 4.177 4.340 0.001 0.000 0.205 315 L C 2.629 178.971 176.870 -0.879 0.000 1.073 315 L CA 1.558 56.053 54.840 -0.575 0.000 0.745 315 L CB -0.811 40.737 42.059 -0.852 0.000 0.900 315 L HN 0.189 nan 8.230 nan 0.000 0.435 316 S N -0.596 114.670 115.700 -0.723 0.000 2.382 316 S HA -0.198 4.273 4.470 0.001 0.000 0.228 316 S C 2.010 176.580 174.600 -0.050 0.000 1.027 316 S CA 1.651 59.689 58.200 -0.270 0.000 0.991 316 S CB -1.083 62.137 63.200 0.034 0.000 0.823 316 S HN 0.585 nan 8.310 nan 0.000 0.469 317 T N 0.189 114.751 114.554 0.014 0.000 2.951 317 T HA 0.100 4.451 4.350 0.001 0.000 0.268 317 T C 1.692 176.459 174.700 0.111 0.000 1.073 317 T CA 0.932 63.139 62.100 0.178 0.000 1.134 317 T CB -0.598 68.496 68.868 0.375 0.000 0.884 317 T HN 0.304 nan 8.240 nan 0.000 0.479 318 L N 0.089 121.239 121.223 -0.122 0.000 2.044 318 L HA 0.248 4.589 4.340 0.001 0.000 0.205 318 L C 2.253 179.037 176.870 -0.145 0.000 1.075 318 L CA 1.475 56.105 54.840 -0.350 0.000 0.747 318 L CB -0.751 40.725 42.059 -0.971 0.000 0.903 318 L HN 0.300 nan 8.230 nan 0.000 0.435 319 F N -0.412 119.471 119.950 -0.110 0.000 2.171 319 F HA -0.211 4.316 4.527 0.001 0.000 0.300 319 F C 2.501 178.279 175.800 -0.036 0.000 1.090 319 F CA 0.468 58.441 58.000 -0.045 0.000 1.293 319 F CB -0.545 38.492 39.000 0.061 0.000 1.013 319 F HN 0.263 nan 8.300 nan 0.000 0.486 320 A N 0.311 123.215 122.820 0.141 0.000 1.877 320 A HA -0.207 4.114 4.320 0.001 0.000 0.216 320 A C 2.014 179.563 177.584 -0.058 0.000 1.186 320 A CA 1.511 53.549 52.037 0.002 0.000 0.620 320 A CB -0.997 18.007 19.000 0.006 0.000 0.822 320 A HN 0.359 nan 8.150 nan 0.000 0.443 321 L N -1.433 119.804 121.223 0.023 0.000 2.046 321 L HA -0.102 4.239 4.340 0.001 0.000 0.208 321 L C 2.190 179.047 176.870 -0.023 0.000 1.077 321 L CA 2.304 57.150 54.840 0.010 0.000 0.747 321 L CB -0.763 41.355 42.059 0.099 0.000 0.896 321 L HN 0.434 nan 8.230 nan 0.000 0.432 322 F N -0.130 119.734 119.950 -0.143 0.000 2.046 322 F HA -0.257 4.270 4.527 0.001 0.000 0.297 322 F C 2.071 177.684 175.800 -0.310 0.000 1.123 322 F CA 2.115 60.003 58.000 -0.187 0.000 1.199 322 F CB -0.615 38.262 39.000 -0.205 0.000 0.972 322 F HN 0.062 nan 8.300 nan 0.000 0.474 323 L N 0.131 121.034 121.223 -0.535 0.000 1.989 323 L HA -0.292 4.049 4.340 0.001 0.000 0.211 323 L C 2.707 178.989 176.870 -0.980 0.000 1.071 323 L CA 2.061 56.398 54.840 -0.840 0.000 0.749 323 L CB -1.145 40.505 42.059 -0.681 0.000 0.890 323 L HN 0.328 nan 8.230 nan 0.000 0.431 324 Q N -0.402 118.965 119.800 -0.721 0.000 2.112 324 Q HA -0.275 4.066 4.340 0.001 0.000 0.206 324 Q C 2.293 178.094 176.000 -0.332 0.000 0.987 324 Q CA 1.662 57.132 55.803 -0.556 0.000 0.858 324 Q CB -0.001 28.561 28.738 -0.293 0.000 0.905 324 Q HN 0.458 nan 8.270 nan 0.000 0.420 325 Q N 0.122 119.755 119.800 -0.278 0.000 2.124 325 Q HA -0.111 4.230 4.340 0.001 0.000 0.202 325 Q C 2.225 178.134 176.000 -0.152 0.000 0.977 325 Q CA 1.038 56.750 55.803 -0.151 0.000 0.850 325 Q CB -0.130 28.567 28.738 -0.069 0.000 0.901 325 Q HN 0.493 nan 8.270 nan 0.000 0.429 326 L N -0.617 120.410 121.223 -0.326 0.000 2.027 326 L HA -0.124 4.217 4.340 0.001 0.000 0.206 326 L C 2.352 179.224 176.870 0.003 0.000 1.074 326 L CA 1.021 55.712 54.840 -0.249 0.000 0.745 326 L CB -0.558 41.210 42.059 -0.485 0.000 0.898 326 L HN 0.189 nan 8.230 nan 0.000 0.433 327 F N 0.543 120.369 119.950 -0.208 0.000 2.115 327 F HA -0.323 4.205 4.527 0.001 0.000 0.300 327 F C 2.441 178.177 175.800 -0.106 0.000 1.092 327 F CA 0.936 58.847 58.000 -0.149 0.000 1.245 327 F CB -0.282 38.645 39.000 -0.121 0.000 0.995 327 F HN 0.088 nan 8.300 nan 0.000 0.481 328 K N -0.267 120.199 120.400 0.110 0.000 2.360 328 K HA -0.167 4.154 4.320 0.001 0.000 0.201 328 K C 1.661 178.274 176.600 0.021 0.000 1.046 328 K CA 0.694 57.008 56.287 0.046 0.000 0.945 328 K CB -0.123 32.388 32.500 0.018 0.000 0.750 328 K HN 0.306 nan 8.250 nan 0.000 0.464 329 Q N 0.316 120.124 119.800 0.013 0.000 2.384 329 Q HA 0.131 4.472 4.340 0.001 0.000 0.207 329 Q C 0.738 176.731 176.000 -0.012 0.000 0.904 329 Q CA 0.285 56.087 55.803 -0.000 0.000 0.933 329 Q CB 0.464 29.201 28.738 -0.002 0.000 1.077 329 Q HN 0.427 nan 8.270 nan 0.000 0.522 330 I N -1.645 118.904 120.570 -0.035 0.000 2.460 330 I HA 0.410 4.581 4.170 0.001 0.000 0.298 330 I C -0.281 175.839 176.117 0.005 0.000 0.989 330 I CA -1.133 60.125 61.300 -0.070 0.000 1.173 330 I CB 1.433 39.264 38.000 -0.282 0.000 1.338 330 I HN -0.268 nan 8.210 nan 0.000 0.456 331 D N 8.170 128.642 120.400 0.120 0.000 2.368 331 D HA 0.111 4.752 4.640 0.001 0.000 0.268 331 D C -1.289 175.047 176.300 0.061 0.000 1.298 331 D CA -1.703 52.356 54.000 0.098 0.000 0.938 331 D CB 0.950 41.822 40.800 0.121 0.000 1.101 331 D HN 0.404 nan 8.370 nan 0.000 0.509 332 P HA -0.131 nan 4.420 nan 0.000 0.225 332 P C 1.073 178.363 177.300 -0.016 0.000 1.148 332 P CA 0.774 63.855 63.100 -0.033 0.000 0.779 332 P CB 0.279 31.959 31.700 -0.032 0.000 0.780 333 T N -1.964 112.590 114.554 0.000 0.000 3.065 333 T HA 0.121 4.472 4.350 0.001 0.000 0.252 333 T C 1.794 176.491 174.700 -0.004 0.000 1.099 333 T CA 1.356 63.453 62.100 -0.005 0.000 1.063 333 T CB -0.407 68.457 68.868 -0.007 0.000 0.948 333 T HN 0.125 nan 8.240 nan 0.000 0.506 334 K N 0.393 120.804 120.400 0.017 0.000 2.334 334 K HA 0.546 4.867 4.320 0.001 0.000 0.195 334 K C 0.674 177.306 176.600 0.054 0.000 1.045 334 K CA 0.298 56.588 56.287 0.004 0.000 1.004 334 K CB 0.288 32.761 32.500 -0.044 0.000 0.837 334 K HN 0.612 nan 8.250 nan 0.000 0.510 335 I N -0.246 120.369 120.570 0.076 0.000 2.685 335 I HA 0.316 4.486 4.170 0.001 0.000 0.289 335 I C -1.792 174.289 176.117 -0.059 0.000 1.292 335 I CA -0.720 60.608 61.300 0.047 0.000 1.050 335 I CB 2.337 40.421 38.000 0.141 0.000 1.301 335 I HN 0.016 nan 8.210 nan 0.000 0.425 336 S N 7.926 123.585 115.700 -0.068 0.000 2.474 336 S HA 0.757 5.228 4.470 0.001 0.000 0.321 336 S C -1.082 173.441 174.600 -0.128 0.000 1.080 336 S CA -0.469 57.666 58.200 -0.107 0.000 1.106 336 S CB 0.457 63.624 63.200 -0.055 0.000 0.984 336 S HN 0.500 nan 8.310 nan 0.000 0.464 337 L N 5.557 126.631 121.223 -0.249 0.000 2.388 337 L HA 0.626 4.967 4.340 0.001 0.000 0.264 337 L C 0.088 176.913 176.870 -0.076 0.000 0.998 337 L CA -0.882 53.842 54.840 -0.195 0.000 0.817 337 L CB 2.166 44.014 42.059 -0.352 0.000 1.338 337 L HN 0.738 nan 8.230 nan 0.000 0.414 338 N N 2.096 120.860 118.700 0.106 0.000 2.457 338 N HA 0.820 5.560 4.740 0.001 0.000 0.290 338 N C -1.328 174.345 175.510 0.271 0.000 1.232 338 N CA -0.851 52.328 53.050 0.215 0.000 0.852 338 N CB 2.718 41.320 38.487 0.191 0.000 1.313 338 N HN 0.407 nan 8.380 nan 0.000 0.522 339 I N -1.003 119.689 120.570 0.203 0.000 2.769 339 I HA 0.525 4.695 4.170 0.001 0.000 0.298 339 I C -0.414 175.587 176.117 -0.193 0.000 1.128 339 I CA -0.980 60.330 61.300 0.016 0.000 1.031 339 I CB 2.508 40.455 38.000 -0.088 0.000 1.235 339 I HN 0.778 nan 8.210 nan 0.000 0.423 340 G N 3.189 111.642 108.800 -0.579 0.000 2.682 340 G HA2 0.645 4.606 3.960 0.001 0.000 0.300 340 G HA3 0.645 4.606 3.960 0.001 0.000 0.300 340 G C -1.693 172.823 174.900 -0.640 0.000 1.391 340 G CA -0.458 43.940 45.100 -1.170 0.000 0.990 340 G HN 0.295 nan 8.290 nan 0.000 0.501 341 V N 1.510 121.185 119.914 -0.399 0.000 2.398 341 V HA 0.517 4.638 4.120 0.001 0.000 0.286 341 V C -0.138 175.905 176.094 -0.085 0.000 1.026 341 V CA -0.627 61.586 62.300 -0.145 0.000 0.868 341 V CB 1.469 33.258 31.823 -0.057 0.000 0.982 341 V HN 0.564 nan 8.190 nan 0.000 0.443 342 V N 5.970 125.907 119.914 0.038 0.000 2.459 342 V HA 0.570 4.691 4.120 0.001 0.000 0.295 342 V C -0.156 176.035 176.094 0.160 0.000 1.029 342 V CA -0.467 61.891 62.300 0.097 0.000 0.874 342 V CB 1.493 33.398 31.823 0.137 0.000 0.985 342 V HN 1.006 nan 8.190 nan 0.000 0.438 343 Q N 1.882 121.752 119.800 0.117 0.000 2.882 343 Q HA 0.758 5.099 4.340 0.001 0.000 0.315 343 Q C -0.588 175.467 176.000 0.092 0.000 1.004 343 Q CA -0.989 54.890 55.803 0.127 0.000 0.777 343 Q CB 2.405 31.194 28.738 0.084 0.000 1.506 343 Q HN 0.812 nan 8.270 nan 0.000 0.489 344 T N -3.545 111.062 114.554 0.087 0.000 2.910 344 T HA 0.630 4.981 4.350 0.001 0.000 0.287 344 T C 0.605 175.253 174.700 -0.087 0.000 1.050 344 T CA -0.222 61.899 62.100 0.036 0.000 1.011 344 T CB 1.313 70.277 68.868 0.161 0.000 1.195 344 T HN 0.638 nan 8.240 nan 0.000 0.540 345 A N -0.583 122.052 122.820 -0.308 0.000 2.178 345 A HA 0.068 4.389 4.320 0.001 0.000 0.218 345 A C 1.554 178.828 177.584 -0.516 0.000 1.157 345 A CA 0.862 52.521 52.037 -0.630 0.000 0.689 345 A CB -1.311 16.804 19.000 -1.474 0.000 0.787 345 A HN 0.857 nan 8.150 nan 0.000 0.465 346 Y N -0.193 120.026 120.300 -0.136 0.000 2.583 346 Y HA 0.302 4.853 4.550 0.001 0.000 0.293 346 Y C 1.632 177.354 175.900 -0.298 0.000 1.157 346 Y CA -0.017 57.907 58.100 -0.293 0.000 1.315 346 Y CB -0.184 38.235 38.460 -0.068 0.000 1.021 346 Y HN 0.328 nan 8.280 nan 0.000 0.536 347 A N 0.868 123.671 122.820 -0.028 0.000 2.462 347 A HA 0.039 4.360 4.320 0.001 0.000 0.243 347 A C -0.016 177.594 177.584 0.043 0.000 1.076 347 A CA -0.427 51.633 52.037 0.039 0.000 0.773 347 A CB -0.175 18.853 19.000 0.047 0.000 1.010 347 A HN 0.471 nan 8.150 nan 0.000 0.493 348 N N 1.325 120.099 118.700 0.122 0.000 2.468 348 N HA 0.259 5.000 4.740 0.001 0.000 0.265 348 N C 1.519 177.090 175.510 0.102 0.000 1.199 348 N CA 0.941 54.097 53.050 0.177 0.000 0.928 348 N CB 0.740 39.349 38.487 0.203 0.000 1.059 348 N HN 0.645 nan 8.380 nan 0.000 0.467 349 G N 1.652 110.528 108.800 0.126 0.000 2.503 349 G HA2 -0.300 3.661 3.960 0.001 0.000 0.221 349 G HA3 -0.300 3.661 3.960 0.001 0.000 0.221 349 G C 1.346 176.258 174.900 0.021 0.000 1.131 349 G CA 1.000 46.143 45.100 0.072 0.000 0.756 349 G HN 0.597 nan 8.290 nan 0.000 0.572 350 S N 0.677 116.398 115.700 0.034 0.000 2.399 350 S HA -0.138 4.333 4.470 0.001 0.000 0.231 350 S C 2.746 177.149 174.600 -0.329 0.000 1.022 350 S CA 1.581 59.772 58.200 -0.015 0.000 0.983 350 S CB -0.233 63.061 63.200 0.156 0.000 0.803 350 S HN 0.722 nan 8.310 nan 0.000 0.480 351 S N 1.379 116.820 115.700 -0.432 0.000 2.387 351 S HA -0.090 4.380 4.470 0.001 0.000 0.226 351 S C 1.872 176.298 174.600 -0.289 0.000 1.026 351 S CA 1.406 59.159 58.200 -0.745 0.000 0.972 351 S CB -1.052 61.959 63.200 -0.314 0.000 0.814 351 S HN 0.443 nan 8.310 nan 0.000 0.477 352 T N 2.394 116.866 114.554 -0.136 0.000 2.746 352 T HA 0.011 4.362 4.350 0.001 0.000 0.267 352 T C 1.839 176.506 174.700 -0.056 0.000 1.039 352 T CA 1.202 63.263 62.100 -0.065 0.000 1.142 352 T CB -0.200 68.647 68.868 -0.034 0.000 0.866 352 T HN 0.324 nan 8.240 nan 0.000 0.444 353 K N 0.545 120.914 120.400 -0.051 0.000 2.057 353 K HA -0.058 4.263 4.320 0.001 0.000 0.206 353 K C 2.083 178.679 176.600 -0.007 0.000 1.050 353 K CA 1.113 57.389 56.287 -0.018 0.000 0.935 353 K CB -0.649 31.856 32.500 0.008 0.000 0.715 353 K HN 0.462 nan 8.250 nan 0.000 0.439 354 Y N 2.189 122.386 120.300 -0.171 0.000 2.128 354 Y HA -0.273 4.278 4.550 0.001 0.000 0.284 354 Y C 2.113 177.962 175.900 -0.085 0.000 1.154 354 Y CA 1.369 59.391 58.100 -0.131 0.000 1.149 354 Y CB -0.505 37.795 38.460 -0.266 0.000 0.976 354 Y HN -0.235 nan 8.280 nan 0.000 0.505 355 V N 0.874 120.694 119.914 -0.157 0.000 2.295 355 V HA -0.297 3.824 4.120 0.001 0.000 0.246 355 V C 2.237 178.218 176.094 -0.188 0.000 1.049 355 V CA 2.377 64.547 62.300 -0.217 0.000 1.024 355 V CB -0.664 31.108 31.823 -0.084 0.000 0.648 355 V HN 0.457 nan 8.190 nan 0.000 0.447 356 E N -0.012 120.119 120.200 -0.116 0.000 2.046 356 E HA -0.181 4.170 4.350 0.001 0.000 0.190 356 E C 1.870 178.419 176.600 -0.084 0.000 0.982 356 E CA 1.441 57.793 56.400 -0.081 0.000 0.800 356 E CB -0.172 29.501 29.700 -0.045 0.000 0.756 356 E HN 0.608 nan 8.360 nan 0.000 0.449 357 D N -0.133 120.218 120.400 -0.081 0.000 2.271 357 D HA -0.030 4.611 4.640 0.001 0.000 0.206 357 D C 1.886 178.132 176.300 -0.089 0.000 0.967 357 D CA 0.521 54.486 54.000 -0.060 0.000 0.867 357 D CB 0.470 41.259 40.800 -0.018 0.000 0.960 357 D HN 0.026 nan 8.370 nan 0.000 0.509 358 V N 0.390 120.194 119.914 -0.183 0.000 2.743 358 V HA 0.041 4.162 4.120 0.001 0.000 0.237 358 V C 2.404 178.330 176.094 -0.280 0.000 1.113 358 V CA 0.355 62.521 62.300 -0.222 0.000 1.141 358 V CB -0.050 31.602 31.823 -0.285 0.000 0.873 358 V HN 0.061 nan 8.190 nan 0.000 0.486 359 L N -0.376 120.588 121.223 -0.431 0.000 2.179 359 L HA 0.052 4.393 4.340 0.001 0.000 0.208 359 L C 0.982 177.745 176.870 -0.178 0.000 1.096 359 L CA 0.769 55.422 54.840 -0.311 0.000 0.779 359 L CB -0.513 41.333 42.059 -0.355 0.000 0.922 359 L HN 0.350 nan 8.230 nan 0.000 0.443 360 K N 0.299 120.604 120.400 -0.158 0.000 3.125 360 K HA -0.195 4.126 4.320 0.001 0.000 0.268 360 K C -0.760 175.799 176.600 -0.068 0.000 1.078 360 K CA 0.265 56.498 56.287 -0.090 0.000 0.775 360 K CB -1.466 30.997 32.500 -0.063 0.000 1.253 360 K HN 0.098 nan 8.250 nan 0.000 0.486 361 I N 0.176 120.693 120.570 -0.088 0.000 2.603 361 I HA 0.320 4.491 4.170 0.001 0.000 0.300 361 I C -2.186 173.896 176.117 -0.058 0.000 1.017 361 I CA -2.585 58.673 61.300 -0.069 0.000 1.098 361 I CB 1.415 39.350 38.000 -0.108 0.000 1.279 361 I HN -0.154 nan 8.210 nan 0.000 0.437 362 P HA 0.193 nan 4.420 nan 0.000 0.268 362 P C -1.212 176.044 177.300 -0.073 0.000 1.205 362 P CA -0.009 63.097 63.100 0.011 0.000 0.771 362 P CB 0.462 32.267 31.700 0.175 0.000 0.858 363 V N 4.841 124.742 119.914 -0.022 0.000 2.735 363 V HA 0.600 4.721 4.120 0.001 0.000 0.310 363 V C -0.018 176.088 176.094 0.019 0.000 1.061 363 V CA -0.661 61.619 62.300 -0.033 0.000 0.913 363 V CB 2.272 34.079 31.823 -0.027 0.000 1.005 363 V HN 0.440 nan 8.190 nan 0.000 0.428 364 R N 1.382 121.897 120.500 0.026 0.000 2.673 364 R HA 0.571 4.912 4.340 0.001 0.000 0.281 364 R C -1.378 174.946 176.300 0.039 0.000 0.991 364 R CA -0.403 55.733 56.100 0.060 0.000 0.896 364 R CB 1.760 32.139 30.300 0.131 0.000 1.201 364 R HN 0.787 nan 8.270 nan 0.000 0.457 365 C N 2.523 121.834 119.300 0.018 0.000 2.322 365 C HA 0.750 5.211 4.460 0.001 0.000 0.324 365 C C 0.502 175.487 174.990 -0.009 0.000 1.284 365 C CA 0.011 59.023 59.018 -0.009 0.000 1.606 365 C CB 0.346 28.050 27.740 -0.060 0.000 2.251 365 C HN 0.914 nan 8.230 nan 0.000 0.502 366 T N 4.082 118.639 114.554 0.006 0.000 2.910 366 T HA 0.747 5.098 4.350 0.001 0.000 0.287 366 T C -3.029 171.645 174.700 -0.043 0.000 1.050 366 T CA -1.687 60.414 62.100 0.002 0.000 1.011 366 T CB 1.461 70.377 68.868 0.079 0.000 1.195 366 T HN 0.423 nan 8.240 nan 0.000 0.540 367 P HA 0.214 nan 4.420 nan 0.000 0.272 367 P C 0.180 177.476 177.300 -0.007 0.000 1.240 367 P CA -0.260 62.739 63.100 -0.169 0.000 0.791 367 P CB 0.097 31.522 31.700 -0.459 0.000 0.978 368 T N -1.848 112.762 114.554 0.093 0.000 2.856 368 T HA 0.471 4.822 4.350 0.001 0.000 0.306 368 T C 0.429 175.287 174.700 0.265 0.000 1.062 368 T CA 0.140 62.363 62.100 0.205 0.000 1.083 368 T CB -0.204 68.819 68.868 0.259 0.000 0.984 368 T HN 0.847 nan 8.240 nan 0.000 0.542 369 G N 0.624 109.569 108.800 0.243 0.000 3.438 369 G HA2 0.089 4.050 3.960 0.001 0.000 0.684 369 G HA3 0.089 4.050 3.960 0.001 0.000 0.684 369 G C 0.338 175.351 174.900 0.188 0.000 1.192 369 G CA -0.056 45.178 45.100 0.222 0.000 1.013 369 G HN 1.875 nan 8.290 nan 0.000 0.530 370 V N 1.163 121.170 119.914 0.155 0.000 2.546 370 V HA -0.168 3.953 4.120 0.001 0.000 0.254 370 V C 2.592 178.703 176.094 0.029 0.000 1.076 370 V CA 2.752 65.145 62.300 0.154 0.000 1.087 370 V CB -0.494 31.487 31.823 0.264 0.000 0.674 370 V HN 0.904 nan 8.190 nan 0.000 0.470 371 K N -0.607 119.769 120.400 -0.041 0.000 2.057 371 K HA -0.218 4.103 4.320 0.001 0.000 0.207 371 K C 2.288 178.824 176.600 -0.106 0.000 1.049 371 K CA 1.884 58.094 56.287 -0.128 0.000 0.931 371 K CB -0.329 32.011 32.500 -0.267 0.000 0.714 371 K HN 0.690 nan 8.250 nan 0.000 0.440 372 H N 0.433 119.533 119.070 0.050 0.000 2.357 372 H HA -0.088 4.468 4.556 0.001 0.000 0.301 372 H C 2.301 177.654 175.328 0.043 0.000 1.082 372 H CA 1.425 57.512 56.048 0.066 0.000 1.342 372 H CB -0.195 29.601 29.762 0.058 0.000 1.389 372 H HN 0.163 nan 8.280 nan 0.000 0.511 373 L N 0.078 121.358 121.223 0.096 0.000 2.017 373 L HA -0.190 4.151 4.340 0.001 0.000 0.208 373 L C 2.827 179.464 176.870 -0.388 0.000 1.073 373 L CA 1.402 56.199 54.840 -0.072 0.000 0.745 373 L CB -0.621 41.430 42.059 -0.014 0.000 0.894 373 L HN 0.371 nan 8.230 nan 0.000 0.432 374 H N -0.889 117.798 119.070 -0.638 0.000 2.353 374 H HA -0.238 4.318 4.556 0.001 0.000 0.300 374 H C 2.221 177.436 175.328 -0.188 0.000 1.090 374 H CA 2.060 57.716 56.048 -0.653 0.000 1.327 374 H CB -0.079 29.448 29.762 -0.391 0.000 1.383 374 H HN 0.479 nan 8.280 nan 0.000 0.508 375 H N 0.216 119.231 119.070 -0.091 0.000 2.321 375 H HA -0.142 4.415 4.556 0.002 0.000 0.300 375 H C 2.171 177.460 175.328 -0.065 0.000 1.087 375 H CA 1.811 57.836 56.048 -0.039 0.000 1.319 375 H CB 0.255 30.034 29.762 0.028 0.000 1.379 375 H HN 0.370 nan 8.280 nan 0.000 0.501 376 E N 0.861 121.018 120.200 -0.073 0.000 2.150 376 E HA -0.065 4.286 4.350 0.001 0.000 0.193 376 E C 2.175 178.802 176.600 0.044 0.000 0.985 376 E CA 1.209 57.583 56.400 -0.045 0.000 0.814 376 E CB -0.397 29.351 29.700 0.080 0.000 0.752 376 E HN 0.493 nan 8.360 nan 0.000 0.466 377 A N 0.656 123.466 122.820 -0.017 0.000 2.070 377 A HA -0.156 4.165 4.320 0.001 0.000 0.220 377 A C 1.828 179.465 177.584 0.088 0.000 1.159 377 A CA 1.403 53.498 52.037 0.097 0.000 0.656 377 A CB -0.496 18.516 19.000 0.020 0.000 0.800 377 A HN 0.352 nan 8.150 nan 0.000 0.453 378 E N 0.243 120.366 120.200 -0.127 0.000 2.418 378 E HA -0.079 4.272 4.350 0.001 0.000 0.197 378 E C 0.527 177.058 176.600 -0.115 0.000 1.026 378 E CA 0.269 56.593 56.400 -0.127 0.000 0.862 378 E CB -0.102 29.484 29.700 -0.190 0.000 0.799 378 E HN 0.514 nan 8.360 nan 0.000 0.518 379 N N 0.149 118.743 118.700 -0.177 0.000 2.449 379 N HA 0.036 4.777 4.740 0.001 0.000 0.191 379 N C -0.577 174.505 175.510 -0.713 0.000 1.161 379 N CA 0.600 53.382 53.050 -0.446 0.000 0.863 379 N CB 0.215 38.337 38.487 -0.609 0.000 0.980 379 N HN 0.024 nan 8.380 nan 0.000 0.458 380 F N -0.643 119.278 119.950 -0.048 0.000 2.620 380 F HA 0.330 4.858 4.527 0.002 0.000 0.320 380 F C 1.321 177.112 175.800 -0.015 0.000 1.069 380 F CA -1.162 56.824 58.000 -0.024 0.000 0.953 380 F CB 1.062 40.051 39.000 -0.019 0.000 1.322 380 F HN -0.292 nan 8.300 nan 0.000 0.479 381 D N 0.613 121.127 120.400 0.191 0.000 2.117 381 D HA 0.036 4.676 4.640 0.001 0.000 0.198 381 D C 0.315 176.657 176.300 0.070 0.000 0.982 381 D CA 1.855 55.928 54.000 0.122 0.000 0.828 381 D CB 0.296 41.162 40.800 0.110 0.000 0.967 381 D HN 0.201 nan 8.370 nan 0.000 0.464 382 I N 0.207 120.793 120.570 0.027 0.000 2.468 382 I HA 0.384 4.554 4.170 0.001 0.000 0.285 382 I C 0.038 176.103 176.117 -0.085 0.000 1.039 382 I CA -0.776 60.394 61.300 -0.218 0.000 1.074 382 I CB 2.407 40.191 38.000 -0.360 0.000 1.228 382 I HN -0.223 nan 8.210 nan 0.000 0.436 383 G N 5.832 114.606 108.800 -0.043 0.000 2.437 383 G HA2 0.580 4.541 3.960 0.001 0.000 0.315 383 G HA3 0.580 4.541 3.960 0.001 0.000 0.315 383 G C -0.804 174.141 174.900 0.076 0.000 1.210 383 G CA -0.365 44.746 45.100 0.018 0.000 0.943 383 G HN 0.311 nan 8.290 nan 0.000 0.471 384 V N 3.683 123.627 119.914 0.051 0.000 2.350 384 V HA 0.487 4.607 4.120 0.001 0.000 0.276 384 V C -0.648 175.608 176.094 0.270 0.000 1.028 384 V CA -0.639 61.765 62.300 0.173 0.000 0.860 384 V CB 0.099 32.037 31.823 0.192 0.000 0.990 384 V HN 0.721 nan 8.190 nan 0.000 0.453 385 Y N 3.545 123.944 120.300 0.165 0.000 2.373 385 Y HA 0.874 5.425 4.550 0.002 0.000 0.336 385 Y C -1.607 174.336 175.900 0.071 0.000 0.979 385 Y CA -1.874 56.307 58.100 0.135 0.000 1.080 385 Y CB 1.491 39.988 38.460 0.062 0.000 1.190 385 Y HN 0.388 nan 8.280 nan 0.000 0.446 386 F N 1.453 121.531 119.950 0.214 0.000 2.631 386 F HA 0.476 5.004 4.527 0.002 0.000 0.308 386 F C -0.460 175.459 175.800 0.199 0.000 1.097 386 F CA -0.964 57.130 58.000 0.157 0.000 0.952 386 F CB 2.543 41.610 39.000 0.112 0.000 1.307 386 F HN 0.564 nan 8.300 nan 0.000 0.450 387 E N 0.698 121.134 120.200 0.394 0.000 2.222 387 E HA 0.539 4.889 4.350 0.001 0.000 0.272 387 E C 0.168 176.943 176.600 0.290 0.000 0.982 387 E CA -0.458 56.124 56.400 0.304 0.000 0.842 387 E CB 1.886 31.744 29.700 0.262 0.000 1.144 387 E HN 0.726 nan 8.360 nan 0.000 0.397 388 A N 2.746 125.698 122.820 0.220 0.000 2.024 388 A HA -0.244 4.077 4.320 0.001 0.000 0.220 388 A C 1.613 179.296 177.584 0.165 0.000 1.164 388 A CA 2.022 54.169 52.037 0.184 0.000 0.643 388 A CB -0.801 18.296 19.000 0.161 0.000 0.806 388 A HN 0.717 nan 8.150 nan 0.000 0.451 389 N N -1.131 117.654 118.700 0.142 0.000 2.609 389 N HA 0.212 4.953 4.740 0.001 0.000 0.190 389 N C 1.031 176.649 175.510 0.180 0.000 1.157 389 N CA 1.500 54.616 53.050 0.109 0.000 0.918 389 N CB -0.421 38.085 38.487 0.031 0.000 0.978 389 N HN 0.822 nan 8.380 nan 0.000 0.448 390 G N -1.510 107.450 108.800 0.266 0.000 2.195 390 G HA2 -0.289 3.672 3.960 0.001 0.000 0.224 390 G HA3 -0.289 3.672 3.960 0.001 0.000 0.224 390 G C -0.382 174.739 174.900 0.369 0.000 0.990 390 G CA 0.120 45.419 45.100 0.332 0.000 0.639 390 G HN 0.726 nan 8.290 nan 0.000 0.514 391 H N 0.906 120.097 119.070 0.202 0.000 2.620 391 H HA 0.591 5.148 4.556 0.001 0.000 0.313 391 H C 0.605 175.878 175.328 -0.092 0.000 1.075 391 H CA 1.479 57.572 56.048 0.075 0.000 1.397 391 H CB 0.938 30.742 29.762 0.070 0.000 1.446 391 H HN 1.025 nan 8.280 nan 0.000 0.493 392 G N 2.131 110.414 108.800 -0.862 0.000 2.316 392 G HA2 0.411 4.372 3.960 0.001 0.000 0.296 392 G HA3 0.411 4.372 3.960 0.001 0.000 0.296 392 G C -1.166 172.721 174.900 -1.687 0.000 1.399 392 G CA -0.125 44.031 45.100 -1.573 0.000 0.833 392 G HN 0.804 nan 8.290 nan 0.000 0.565 393 T N -2.298 111.264 114.554 -1.654 0.000 2.658 393 T HA 0.609 4.959 4.350 0.001 0.000 0.306 393 T C -1.741 172.671 174.700 -0.481 0.000 1.544 393 T CA 0.164 61.799 62.100 -0.775 0.000 0.991 393 T CB 1.385 69.939 68.868 -0.523 0.000 1.774 393 T HN 1.266 nan 8.240 nan 0.000 0.479 394 V N 2.740 122.571 119.914 -0.138 0.000 2.540 394 V HA 0.702 4.823 4.120 0.001 0.000 0.302 394 V C -0.149 176.037 176.094 0.152 0.000 1.035 394 V CA -0.782 61.549 62.300 0.051 0.000 0.873 394 V CB 1.237 33.180 31.823 0.199 0.000 0.992 394 V HN 0.799 nan 8.190 nan 0.000 0.428 395 I N 0.260 120.944 120.570 0.190 0.000 2.740 395 I HA 0.758 4.929 4.170 0.001 0.000 0.303 395 I C -1.495 174.769 176.117 0.245 0.000 1.044 395 I CA -0.610 60.875 61.300 0.309 0.000 1.064 395 I CB 2.222 40.404 38.000 0.304 0.000 1.249 395 I HN 0.340 nan 8.210 nan 0.000 0.433 396 F N 2.757 122.810 119.950 0.172 0.000 2.495 396 F HA 0.386 4.914 4.527 0.001 0.000 0.327 396 F C 0.560 176.445 175.800 0.143 0.000 1.103 396 F CA -0.704 57.397 58.000 0.168 0.000 0.949 396 F CB 1.365 40.474 39.000 0.182 0.000 1.142 396 F HN 0.592 nan 8.300 nan 0.000 0.457 397 N N 4.550 123.410 118.700 0.266 0.000 2.454 397 N HA 0.021 4.762 4.740 0.001 0.000 0.260 397 N C -1.980 173.651 175.510 0.202 0.000 1.218 397 N CA -0.904 52.256 53.050 0.183 0.000 0.904 397 N CB 1.432 39.994 38.487 0.125 0.000 1.065 397 N HN 0.234 nan 8.380 nan 0.000 0.462 398 P HA -0.186 nan 4.420 nan 0.000 0.216 398 P C 0.999 178.371 177.300 0.120 0.000 1.157 398 P CA 1.446 64.624 63.100 0.130 0.000 0.880 398 P CB 0.164 31.919 31.700 0.091 0.000 0.791 399 E N -0.641 119.620 120.200 0.101 0.000 2.110 399 E HA -0.194 4.157 4.350 0.001 0.000 0.193 399 E C 1.913 178.582 176.600 0.116 0.000 0.988 399 E CA 1.175 57.629 56.400 0.089 0.000 0.804 399 E CB -0.474 29.265 29.700 0.064 0.000 0.745 399 E HN 0.074 nan 8.360 nan 0.000 0.458 400 A N 1.141 124.047 122.820 0.144 0.000 1.873 400 A HA -0.232 4.089 4.320 0.001 0.000 0.215 400 A C 2.052 179.777 177.584 0.236 0.000 1.186 400 A CA 1.656 53.797 52.037 0.174 0.000 0.616 400 A CB -0.601 18.514 19.000 0.192 0.000 0.823 400 A HN 0.421 nan 8.150 nan 0.000 0.442 401 E N -0.144 120.227 120.200 0.286 0.000 2.118 401 E HA -0.287 4.064 4.350 0.001 0.000 0.195 401 E C 1.986 178.774 176.600 0.313 0.000 0.992 401 E CA 1.689 58.274 56.400 0.308 0.000 0.804 401 E CB -0.074 29.761 29.700 0.224 0.000 0.741 401 E HN 0.508 nan 8.360 nan 0.000 0.458 402 K N 1.224 121.746 120.400 0.203 0.000 2.057 402 K HA -0.169 4.152 4.320 0.001 0.000 0.207 402 K C 1.791 178.507 176.600 0.192 0.000 1.049 402 K CA 1.809 58.196 56.287 0.168 0.000 0.931 402 K CB -0.012 32.548 32.500 0.100 0.000 0.714 402 K HN 0.007 nan 8.250 nan 0.000 0.440 403 K N 0.084 120.582 120.400 0.163 0.000 2.097 403 K HA -0.019 4.302 4.320 0.001 0.000 0.205 403 K C 2.165 178.862 176.600 0.162 0.000 1.050 403 K CA 1.519 57.892 56.287 0.142 0.000 0.938 403 K CB -0.191 32.374 32.500 0.109 0.000 0.718 403 K HN 0.177 nan 8.250 nan 0.000 0.442 404 I N 0.140 120.804 120.570 0.156 0.000 2.226 404 I HA -0.254 3.917 4.170 0.001 0.000 0.245 404 I C 1.770 177.870 176.117 -0.028 0.000 1.100 404 I CA 1.395 62.721 61.300 0.045 0.000 1.374 404 I CB -0.141 37.878 38.000 0.031 0.000 1.057 404 I HN 0.039 nan 8.210 nan 0.000 0.413 405 F N 0.636 120.616 119.950 0.050 0.000 2.456 405 F HA -0.121 4.407 4.527 0.002 0.000 0.298 405 F C 1.785 177.624 175.800 0.065 0.000 1.104 405 F CA 0.954 58.978 58.000 0.041 0.000 1.435 405 F CB -0.233 38.775 39.000 0.012 0.000 1.078 405 F HN 0.063 nan 8.300 nan 0.000 0.546 406 D N -1.723 118.807 120.400 0.217 0.000 2.350 406 D HA -0.082 4.559 4.640 0.001 0.000 0.213 406 D C 0.127 176.502 176.300 0.125 0.000 1.031 406 D CA 0.155 54.243 54.000 0.147 0.000 0.861 406 D CB -0.466 40.402 40.800 0.113 0.000 0.926 406 D HN 0.163 nan 8.370 nan 0.000 0.520 407 Y N 2.170 122.473 120.300 0.005 0.000 2.632 407 Y HA 0.223 4.773 4.550 0.001 0.000 0.329 407 Y C 0.498 176.385 175.900 -0.021 0.000 1.174 407 Y CA -0.104 57.984 58.100 -0.020 0.000 1.469 407 Y CB 0.110 38.543 38.460 -0.045 0.000 1.242 407 Y HN -0.185 nan 8.280 nan 0.000 0.540 408 K N 8.687 128.884 120.400 -0.339 0.000 2.334 408 K HA 0.425 4.746 4.320 0.001 0.000 0.265 408 K C -2.927 173.458 176.600 -0.360 0.000 1.039 408 K CA -1.914 54.241 56.287 -0.219 0.000 0.920 408 K CB -0.223 32.176 32.500 -0.167 0.000 1.160 408 K HN 0.653 nan 8.250 nan 0.000 0.451 409 P HA 0.122 nan 4.420 nan 0.000 0.268 409 P C -0.538 176.755 177.300 -0.011 0.000 1.205 409 P CA -0.245 62.905 63.100 0.083 0.000 0.771 409 P CB 0.986 32.797 31.700 0.185 0.000 0.858 410 N N 1.297 119.999 118.700 0.004 0.000 2.409 410 N HA 0.002 4.743 4.740 0.001 0.000 0.174 410 N C 0.622 176.137 175.510 0.009 0.000 1.037 410 N CA 0.587 53.629 53.050 -0.013 0.000 0.898 410 N CB 0.144 38.619 38.487 -0.019 0.000 1.010 410 N HN 0.623 nan 8.380 nan 0.000 0.445 411 N N -0.245 118.474 118.700 0.031 0.000 2.647 411 N HA 0.140 4.881 4.740 0.001 0.000 0.266 411 N C -0.529 175.000 175.510 0.032 0.000 1.373 411 N CA -0.380 52.685 53.050 0.024 0.000 0.807 411 N CB 1.350 39.849 38.487 0.019 0.000 1.513 411 N HN -0.389 nan 8.380 nan 0.000 0.505 412 D N 0.485 120.897 120.400 0.020 0.000 2.158 412 D HA -0.139 4.502 4.640 0.001 0.000 0.197 412 D C 1.119 177.431 176.300 0.020 0.000 0.995 412 D CA 1.665 55.676 54.000 0.018 0.000 0.846 412 D CB -0.257 40.549 40.800 0.009 0.000 0.941 412 D HN 0.553 nan 8.370 nan 0.000 0.456 413 N N 0.429 119.140 118.700 0.019 0.000 2.106 413 N HA -0.094 4.646 4.740 0.001 0.000 0.188 413 N C 1.571 177.094 175.510 0.023 0.000 1.029 413 N CA 0.937 53.997 53.050 0.017 0.000 0.848 413 N CB -0.026 38.467 38.487 0.011 0.000 1.007 413 N HN 0.314 nan 8.380 nan 0.000 0.423 414 E N 0.270 120.496 120.200 0.043 0.000 2.106 414 E HA -0.070 4.281 4.350 0.001 0.000 0.192 414 E C 1.947 178.581 176.600 0.056 0.000 0.984 414 E CA 0.886 57.324 56.400 0.064 0.000 0.806 414 E CB -0.104 29.700 29.700 0.174 0.000 0.750 414 E HN 0.396 nan 8.360 nan 0.000 0.458 415 A N 1.927 124.788 122.820 0.068 0.000 1.902 415 A HA -0.225 4.096 4.320 0.001 0.000 0.217 415 A C 1.980 179.571 177.584 0.011 0.000 1.181 415 A CA 1.482 53.551 52.037 0.054 0.000 0.623 415 A CB -0.254 18.773 19.000 0.045 0.000 0.818 415 A HN 0.041 nan 8.150 nan 0.000 0.443 416 K N -0.399 120.008 120.400 0.011 0.000 2.057 416 K HA 0.013 4.334 4.320 0.001 0.000 0.206 416 K C 2.370 178.963 176.600 -0.011 0.000 1.050 416 K CA 1.021 57.315 56.287 0.011 0.000 0.935 416 K CB -0.313 32.207 32.500 0.033 0.000 0.715 416 K HN 0.423 nan 8.250 nan 0.000 0.439 417 A N 1.561 124.365 122.820 -0.026 0.000 1.858 417 A HA -0.175 4.146 4.320 0.001 0.000 0.216 417 A C 2.149 179.636 177.584 -0.162 0.000 1.190 417 A CA 1.312 53.301 52.037 -0.080 0.000 0.617 417 A CB -0.535 18.421 19.000 -0.074 0.000 0.827 417 A HN 0.234 nan 8.150 nan 0.000 0.443 418 I N -0.101 120.349 120.570 -0.199 0.000 2.361 418 I HA -0.211 3.960 4.170 0.001 0.000 0.251 418 I C 2.252 178.234 176.117 -0.226 0.000 1.133 418 I CA 2.083 63.212 61.300 -0.286 0.000 1.413 418 I CB -0.235 37.535 38.000 -0.383 0.000 1.073 418 I HN 0.432 nan 8.210 nan 0.000 0.424 419 K N -0.397 119.914 120.400 -0.149 0.000 2.097 419 K HA -0.098 4.223 4.320 0.001 0.000 0.205 419 K C 1.950 178.479 176.600 -0.120 0.000 1.050 419 K CA 1.501 57.708 56.287 -0.133 0.000 0.938 419 K CB -0.056 32.407 32.500 -0.062 0.000 0.718 419 K HN 0.225 nan 8.250 nan 0.000 0.442 420 V N 1.495 121.345 119.914 -0.108 0.000 2.343 420 V HA -0.232 3.889 4.120 0.001 0.000 0.247 420 V C 2.254 178.313 176.094 -0.059 0.000 1.051 420 V CA 1.532 63.775 62.300 -0.094 0.000 1.036 420 V CB -0.466 31.231 31.823 -0.211 0.000 0.654 420 V HN 0.361 nan 8.190 nan 0.000 0.451 421 L N -0.052 121.096 121.223 -0.126 0.000 2.046 421 L HA -0.207 4.134 4.340 0.001 0.000 0.208 421 L C 2.473 179.313 176.870 -0.050 0.000 1.077 421 L CA 1.942 56.756 54.840 -0.044 0.000 0.747 421 L CB -0.737 41.279 42.059 -0.072 0.000 0.896 421 L HN 0.349 nan 8.230 nan 0.000 0.432 422 Q N -0.659 118.984 119.800 -0.262 0.000 2.030 422 Q HA -0.217 4.124 4.340 0.001 0.000 0.204 422 Q C 2.030 177.936 176.000 -0.157 0.000 0.986 422 Q CA 1.875 57.363 55.803 -0.526 0.000 0.843 422 Q CB -0.302 27.876 28.738 -0.934 0.000 0.904 422 Q HN 0.561 nan 8.270 nan 0.000 0.420 423 N N 0.061 118.717 118.700 -0.072 0.000 2.223 423 N HA -0.149 4.592 4.740 0.001 0.000 0.185 423 N C 1.467 176.986 175.510 0.015 0.000 1.016 423 N CA 0.887 53.938 53.050 0.002 0.000 0.863 423 N CB -0.234 38.257 38.487 0.006 0.000 0.983 423 N HN 0.186 nan 8.380 nan 0.000 0.429 424 F N 2.159 122.074 119.950 -0.058 0.000 2.234 424 F HA -0.133 4.395 4.527 0.001 0.000 0.299 424 F C 2.512 178.272 175.800 -0.066 0.000 1.087 424 F CA 1.211 59.203 58.000 -0.014 0.000 1.340 424 F CB -0.254 38.829 39.000 0.137 0.000 1.031 424 F HN 0.018 nan 8.300 nan 0.000 0.500 425 S N -0.814 114.798 115.700 -0.146 0.000 2.447 425 S HA -0.155 4.316 4.470 0.001 0.000 0.233 425 S C 1.665 176.070 174.600 -0.325 0.000 1.006 425 S CA 0.807 58.672 58.200 -0.559 0.000 0.957 425 S CB -0.359 62.244 63.200 -0.995 0.000 0.773 425 S HN 0.467 nan 8.310 nan 0.000 0.507 426 Q N 0.188 119.858 119.800 -0.215 0.000 2.339 426 Q HA 0.327 4.668 4.340 0.001 0.000 0.205 426 Q C 2.018 177.864 176.000 -0.257 0.000 0.925 426 Q CA 0.381 56.056 55.803 -0.214 0.000 0.898 426 Q CB -0.495 28.173 28.738 -0.117 0.000 1.013 426 Q HN 0.556 nan 8.270 nan 0.000 0.504 427 L N 0.362 121.414 121.223 -0.286 0.000 2.068 427 L HA 0.139 4.480 4.340 0.001 0.000 0.204 427 L C 0.798 177.443 176.870 -0.375 0.000 1.076 427 L CA 0.760 55.420 54.840 -0.299 0.000 0.753 427 L CB -0.235 41.672 42.059 -0.253 0.000 0.910 427 L HN 0.070 nan 8.230 nan 0.000 0.439 428 I N 1.036 121.268 120.570 -0.563 0.000 2.692 428 I HA 0.002 4.173 4.170 0.001 0.000 0.284 428 I C 0.343 176.325 176.117 -0.225 0.000 1.159 428 I CA 0.195 61.201 61.300 -0.490 0.000 1.423 428 I CB 0.080 37.649 38.000 -0.719 0.000 1.380 428 I HN 0.260 nan 8.210 nan 0.000 0.580 429 N N 6.452 125.073 118.700 -0.132 0.000 2.555 429 N HA 0.085 4.826 4.740 0.001 0.000 0.244 429 N C 0.445 175.993 175.510 0.064 0.000 1.114 429 N CA 0.199 53.253 53.050 0.006 0.000 0.963 429 N CB 0.498 38.990 38.487 0.009 0.000 1.276 429 N HN 0.645 nan 8.380 nan 0.000 0.510 430 Q N 0.934 120.845 119.800 0.184 0.000 2.437 430 Q HA -0.059 4.282 4.340 0.001 0.000 0.210 430 Q C 0.862 176.976 176.000 0.189 0.000 0.972 430 Q CA 1.116 57.054 55.803 0.224 0.000 0.903 430 Q CB 0.280 29.210 28.738 0.320 0.000 0.967 430 Q HN 0.565 nan 8.270 nan 0.000 0.486 431 T N -0.329 114.317 114.554 0.154 0.000 2.896 431 T HA 0.067 4.418 4.350 0.001 0.000 0.263 431 T C 0.579 175.287 174.700 0.014 0.000 1.050 431 T CA 0.566 62.686 62.100 0.033 0.000 1.140 431 T CB 0.429 69.292 68.868 -0.008 0.000 0.877 431 T HN 0.076 nan 8.240 nan 0.000 0.457 432 V N -0.579 119.318 119.914 -0.029 0.000 3.264 432 V HA 0.626 4.747 4.120 0.001 0.000 0.294 432 V C -0.909 175.057 176.094 -0.214 0.000 1.429 432 V CA -0.925 61.291 62.300 -0.140 0.000 1.053 432 V CB 1.624 33.197 31.823 -0.417 0.000 1.128 432 V HN 0.341 nan 8.190 nan 0.000 0.452 433 G N 1.960 110.539 108.800 -0.369 0.000 2.272 433 G HA2 0.422 4.383 3.960 0.001 0.000 0.247 433 G HA3 0.422 4.383 3.960 0.001 0.000 0.247 433 G C -0.681 174.031 174.900 -0.313 0.000 1.272 433 G CA 0.541 45.275 45.100 -0.609 0.000 0.921 433 G HN 0.728 nan 8.290 nan 0.000 0.495 434 D N 1.550 121.821 120.400 -0.215 0.000 2.620 434 D HA 0.454 5.095 4.640 0.001 0.000 0.252 434 D C 0.940 177.174 176.300 -0.110 0.000 1.207 434 D CA -0.139 53.783 54.000 -0.130 0.000 0.884 434 D CB 1.634 42.388 40.800 -0.076 0.000 1.262 434 D HN 0.298 nan 8.370 nan 0.000 0.552 435 A N 4.285 127.000 122.820 -0.175 0.000 1.902 435 A HA -0.104 4.217 4.320 0.001 0.000 0.217 435 A C 2.146 179.561 177.584 -0.282 0.000 1.181 435 A CA 1.001 52.900 52.037 -0.231 0.000 0.623 435 A CB -0.388 18.310 19.000 -0.504 0.000 0.818 435 A HN 0.728 nan 8.150 nan 0.000 0.443 436 I N -0.957 119.381 120.570 -0.386 0.000 2.202 436 I HA -0.198 3.973 4.170 0.001 0.000 0.242 436 I C 2.858 178.925 176.117 -0.084 0.000 1.091 436 I CA 1.493 62.675 61.300 -0.196 0.000 1.368 436 I CB -0.336 37.582 38.000 -0.137 0.000 1.058 436 I HN 0.422 nan 8.210 nan 0.000 0.410 437 S N 0.686 116.328 115.700 -0.096 0.000 2.356 437 S HA -0.233 4.238 4.470 0.001 0.000 0.223 437 S C 1.740 176.323 174.600 -0.028 0.000 1.032 437 S CA 1.879 60.013 58.200 -0.111 0.000 1.005 437 S CB -0.328 62.797 63.200 -0.126 0.000 0.867 437 S HN 0.355 nan 8.310 nan 0.000 0.449 438 D N 0.868 121.301 120.400 0.054 0.000 2.178 438 D HA -0.065 4.576 4.640 0.001 0.000 0.201 438 D C 1.829 178.286 176.300 0.262 0.000 0.980 438 D CA 0.745 54.886 54.000 0.234 0.000 0.842 438 D CB -0.425 40.565 40.800 0.317 0.000 0.948 438 D HN 0.376 nan 8.370 nan 0.000 0.472 439 L N 0.493 121.831 121.223 0.191 0.000 2.044 439 L HA -0.047 4.294 4.340 0.001 0.000 0.205 439 L C 2.125 179.076 176.870 0.136 0.000 1.075 439 L CA 1.322 56.282 54.840 0.199 0.000 0.747 439 L CB -0.569 41.646 42.059 0.261 0.000 0.903 439 L HN -0.012 nan 8.230 nan 0.000 0.435 440 L N -0.549 120.711 121.223 0.062 0.000 2.083 440 L HA -0.174 4.167 4.340 0.001 0.000 0.209 440 L C 2.650 179.664 176.870 0.241 0.000 1.083 440 L CA 1.080 55.957 54.840 0.063 0.000 0.752 440 L CB -1.019 40.991 42.059 -0.082 0.000 0.899 440 L HN 0.398 nan 8.230 nan 0.000 0.433 441 A N -0.103 122.811 122.820 0.157 0.000 1.855 441 A HA -0.141 4.180 4.320 0.001 0.000 0.215 441 A C 2.356 180.106 177.584 0.278 0.000 1.191 441 A CA 1.678 53.807 52.037 0.154 0.000 0.613 441 A CB -0.834 18.166 19.000 -0.000 0.000 0.829 441 A HN 0.154 nan 8.150 nan 0.000 0.442 442 V N 0.286 120.395 119.914 0.326 0.000 2.287 442 V HA -0.297 3.824 4.120 0.001 0.000 0.248 442 V C 2.615 178.742 176.094 0.054 0.000 1.053 442 V CA 2.127 64.499 62.300 0.119 0.000 1.027 442 V CB -0.827 31.045 31.823 0.082 0.000 0.646 442 V HN 0.572 nan 8.190 nan 0.000 0.447 443 L N -0.993 120.315 121.223 0.141 0.000 2.012 443 L HA -0.210 4.131 4.340 0.001 0.000 0.210 443 L C 2.406 179.388 176.870 0.186 0.000 1.073 443 L CA 1.636 56.578 54.840 0.169 0.000 0.748 443 L CB -0.504 41.685 42.059 0.217 0.000 0.891 443 L HN 0.312 nan 8.230 nan 0.000 0.431 444 I N -1.086 119.603 120.570 0.199 0.000 2.546 444 I HA -0.160 4.011 4.170 0.001 0.000 0.255 444 I C 2.108 178.212 176.117 -0.021 0.000 1.163 444 I CA 1.029 62.337 61.300 0.014 0.000 1.457 444 I CB 0.102 37.972 38.000 -0.216 0.000 1.092 444 I HN -0.110 nan 8.210 nan 0.000 0.434 445 V N 0.325 120.151 119.914 -0.146 0.000 2.323 445 V HA -0.197 3.924 4.120 0.001 0.000 0.244 445 V C 2.559 178.580 176.094 -0.121 0.000 1.041 445 V CA 1.760 63.833 62.300 -0.378 0.000 1.025 445 V CB -0.685 30.823 31.823 -0.524 0.000 0.656 445 V HN 0.436 nan 8.190 nan 0.000 0.451 446 V N -1.422 118.425 119.914 -0.112 0.000 2.759 446 V HA -0.245 3.876 4.120 0.001 0.000 0.256 446 V C 2.297 178.416 176.094 0.041 0.000 1.080 446 V CA 2.393 64.647 62.300 -0.075 0.000 1.101 446 V CB -1.161 30.615 31.823 -0.078 0.000 0.698 446 V HN 0.649 nan 8.190 nan 0.000 0.477 447 H N -0.339 118.727 119.070 -0.005 0.000 2.333 447 H HA -0.101 4.456 4.556 0.001 0.000 0.302 447 H C 2.032 177.372 175.328 0.019 0.000 1.075 447 H CA 2.259 58.315 56.048 0.013 0.000 1.348 447 H CB -0.456 29.329 29.762 0.039 0.000 1.393 447 H HN 0.538 nan 8.280 nan 0.000 0.509 448 Y N 0.535 120.815 120.300 -0.034 0.000 2.181 448 Y HA -0.119 4.432 4.550 0.002 0.000 0.288 448 Y C 1.867 177.742 175.900 -0.042 0.000 1.146 448 Y CA 1.640 59.717 58.100 -0.039 0.000 1.164 448 Y CB -0.244 38.289 38.460 0.122 0.000 0.982 448 Y HN 0.205 nan 8.280 nan 0.000 0.515 449 L N 0.510 121.779 121.223 0.076 0.000 2.599 449 L HA -0.032 4.308 4.340 0.001 0.000 0.230 449 L C 0.590 177.402 176.870 -0.097 0.000 1.141 449 L CA 0.576 55.409 54.840 -0.012 0.000 0.877 449 L CB -0.448 41.657 42.059 0.076 0.000 1.009 449 L HN 0.119 nan 8.230 nan 0.000 0.447 450 K N 0.892 121.213 120.400 -0.131 0.000 3.148 450 K HA -0.175 4.146 4.320 0.001 0.000 0.267 450 K C -0.526 176.032 176.600 -0.071 0.000 0.996 450 K CA 0.415 56.624 56.287 -0.131 0.000 0.737 450 K CB -1.705 30.700 32.500 -0.159 0.000 1.308 450 K HN 0.301 nan 8.250 nan 0.000 0.470 451 L N 0.892 122.090 121.223 -0.043 0.000 2.322 451 L HA 0.327 4.668 4.340 0.001 0.000 0.279 451 L C 0.985 177.852 176.870 -0.006 0.000 1.036 451 L CA -0.662 54.166 54.840 -0.019 0.000 0.807 451 L CB 1.755 43.806 42.059 -0.013 0.000 1.226 451 L HN 0.245 nan 8.230 nan 0.000 0.433 452 S N 1.380 117.068 115.700 -0.021 0.000 2.687 452 S HA 0.458 4.929 4.470 0.001 0.000 0.283 452 S C -2.108 172.439 174.600 -0.089 0.000 1.170 452 S CA -1.342 56.825 58.200 -0.055 0.000 1.008 452 S CB 1.620 64.773 63.200 -0.079 0.000 1.026 452 S HN 0.352 nan 8.310 nan 0.000 0.541 453 P HA -0.157 nan 4.420 nan 0.000 0.216 453 P C 1.771 178.666 177.300 -0.674 0.000 1.153 453 P CA 1.936 64.769 63.100 -0.446 0.000 0.858 453 P CB -0.143 31.125 31.700 -0.721 0.000 0.789 454 S N -1.651 113.665 115.700 -0.639 0.000 2.406 454 S HA -0.131 4.340 4.470 0.001 0.000 0.228 454 S C 1.694 176.207 174.600 -0.144 0.000 1.020 454 S CA 1.121 59.098 58.200 -0.372 0.000 0.965 454 S CB -1.151 61.944 63.200 -0.176 0.000 0.798 454 S HN 0.057 nan 8.310 nan 0.000 0.488 455 D N 0.858 121.204 120.400 -0.090 0.000 2.097 455 D HA -0.089 4.552 4.640 0.001 0.000 0.195 455 D C 1.466 177.797 176.300 0.052 0.000 0.989 455 D CA 1.150 55.141 54.000 -0.014 0.000 0.827 455 D CB -0.453 40.345 40.800 -0.002 0.000 0.966 455 D HN 0.611 nan 8.370 nan 0.000 0.456 456 W N 2.543 123.744 121.300 -0.164 0.000 2.353 456 W HA -0.172 4.489 4.660 0.001 0.000 0.319 456 W C 1.781 178.170 176.519 -0.216 0.000 1.207 456 W CA 1.394 58.638 57.345 -0.168 0.000 1.291 456 W CB -1.001 28.356 29.460 -0.173 0.000 1.159 456 W HN -0.109 nan 8.180 nan 0.000 0.478 457 D N -0.078 120.178 120.400 -0.240 0.000 2.221 457 D HA -0.216 4.425 4.640 0.001 0.000 0.204 457 D C 1.757 177.892 176.300 -0.275 0.000 0.982 457 D CA 1.310 55.083 54.000 -0.379 0.000 0.857 457 D CB -0.630 40.067 40.800 -0.172 0.000 0.934 457 D HN 0.114 nan 8.370 nan 0.000 0.475 458 N N 0.116 118.731 118.700 -0.140 0.000 2.494 458 N HA -0.086 4.654 4.740 0.001 0.000 0.182 458 N C 1.286 176.740 175.510 -0.094 0.000 1.076 458 N CA 0.290 53.281 53.050 -0.098 0.000 0.908 458 N CB 0.163 38.628 38.487 -0.037 0.000 0.967 458 N HN 0.301 nan 8.380 nan 0.000 0.449 459 E N 0.322 120.445 120.200 -0.128 0.000 2.130 459 E HA -0.150 4.200 4.350 0.001 0.000 0.196 459 E C 0.170 176.700 176.600 -0.116 0.000 0.998 459 E CA 1.227 57.560 56.400 -0.112 0.000 0.806 459 E CB -0.028 29.537 29.700 -0.225 0.000 0.738 459 E HN 0.540 nan 8.360 nan 0.000 0.459 460 Y N -3.520 116.627 120.300 -0.255 0.000 2.677 460 Y HA 0.503 5.054 4.550 0.001 0.000 0.334 460 Y C -1.005 174.831 175.900 -0.107 0.000 1.196 460 Y CA -1.249 56.756 58.100 -0.158 0.000 1.059 460 Y CB 0.889 39.218 38.460 -0.217 0.000 1.315 460 Y HN -0.369 nan 8.280 nan 0.000 0.455 461 T N 2.810 117.445 114.554 0.135 0.000 2.786 461 T HA 0.261 4.612 4.350 0.001 0.000 0.283 461 T C -1.075 173.720 174.700 0.158 0.000 0.992 461 T CA -0.667 61.455 62.100 0.036 0.000 0.954 461 T CB 0.756 69.636 68.868 0.019 0.000 0.934 461 T HN 0.557 nan 8.240 nan 0.000 0.440 462 D N 2.256 122.721 120.400 0.108 0.000 2.419 462 D HA 0.102 4.743 4.640 0.001 0.000 0.236 462 D C 0.300 176.659 176.300 0.098 0.000 1.165 462 D CA 0.208 54.300 54.000 0.152 0.000 0.882 462 D CB 0.712 41.569 40.800 0.095 0.000 1.201 462 D HN 0.368 nan 8.370 nan 0.000 0.443 463 L N 2.772 124.058 121.223 0.106 0.000 2.350 463 L HA 0.270 4.611 4.340 0.001 0.000 0.275 463 L C -2.007 174.888 176.870 0.041 0.000 1.099 463 L CA -1.817 53.064 54.840 0.068 0.000 0.808 463 L CB 0.954 43.059 42.059 0.077 0.000 1.149 463 L HN 0.086 nan 8.230 nan 0.000 0.442 464 P HA -0.021 nan 4.420 nan 0.000 0.264 464 P C -1.525 175.744 177.300 -0.051 0.000 1.183 464 P CA 0.262 63.347 63.100 -0.025 0.000 0.763 464 P CB 0.273 31.947 31.700 -0.043 0.000 0.807 465 N N 0.433 119.094 118.700 -0.064 0.000 2.396 465 N HA 0.615 5.356 4.740 0.001 0.000 0.275 465 N C -1.512 173.903 175.510 -0.159 0.000 1.218 465 N CA -1.081 51.886 53.050 -0.138 0.000 0.812 465 N CB 2.252 40.732 38.487 -0.011 0.000 1.592 465 N HN 0.107 nan 8.380 nan 0.000 0.480 466 K N 1.017 121.249 120.400 -0.280 0.000 2.513 466 K HA 0.530 4.851 4.320 0.001 0.000 0.251 466 K C -2.136 174.339 176.600 -0.207 0.000 0.939 466 K CA -0.826 55.343 56.287 -0.197 0.000 0.793 466 K CB 1.599 33.989 32.500 -0.184 0.000 1.241 466 K HN 0.590 nan 8.250 nan 0.000 0.431 467 L N 5.489 126.670 121.223 -0.070 0.000 2.356 467 L HA 0.611 4.952 4.340 0.001 0.000 0.277 467 L C -1.133 175.719 176.870 -0.031 0.000 0.996 467 L CA -0.517 54.331 54.840 0.012 0.000 0.822 467 L CB 1.651 43.789 42.059 0.131 0.000 1.256 467 L HN 0.461 nan 8.230 nan 0.000 0.413 468 V N 1.851 121.740 119.914 -0.041 0.000 3.167 468 V HA 0.813 4.933 4.120 0.001 0.000 0.310 468 V C -1.227 174.839 176.094 -0.047 0.000 1.207 468 V CA -0.886 61.384 62.300 -0.051 0.000 1.059 468 V CB 2.054 33.838 31.823 -0.066 0.000 1.079 468 V HN 0.873 nan 8.190 nan 0.000 0.446 469 K N 0.350 120.722 120.400 -0.047 0.000 2.477 469 K HA 0.898 5.219 4.320 0.001 0.000 0.255 469 K C -1.980 174.589 176.600 -0.051 0.000 0.952 469 K CA -0.886 55.371 56.287 -0.050 0.000 0.826 469 K CB 2.585 35.065 32.500 -0.033 0.000 1.331 469 K HN 0.600 nan 8.250 nan 0.000 0.437 470 V N 2.671 122.546 119.914 -0.065 0.000 2.577 470 V HA 0.380 4.501 4.120 0.001 0.000 0.303 470 V C -0.487 175.585 176.094 -0.036 0.000 1.042 470 V CA -0.851 61.417 62.300 -0.052 0.000 0.872 470 V CB 1.628 33.407 31.823 -0.073 0.000 0.998 470 V HN 0.701 nan 8.190 nan 0.000 0.423 471 I N 5.782 126.347 120.570 -0.009 0.000 2.312 471 I HA 0.453 4.623 4.170 0.001 0.000 0.291 471 I C 0.045 176.179 176.117 0.029 0.000 1.031 471 I CA -0.359 60.947 61.300 0.011 0.000 1.293 471 I CB 1.284 39.294 38.000 0.016 0.000 1.403 471 I HN 0.543 nan 8.210 nan 0.000 0.484 472 V N 4.894 124.839 119.914 0.052 0.000 3.103 472 V HA 0.564 4.685 4.120 0.001 0.000 0.318 472 V C -1.810 174.338 176.094 0.089 0.000 1.114 472 V CA -1.301 61.052 62.300 0.089 0.000 1.020 472 V CB 1.269 33.192 31.823 0.167 0.000 1.085 472 V HN 0.535 nan 8.190 nan 0.000 0.446 473 P HA 0.057 nan 4.420 nan 0.000 0.223 473 P C -0.183 177.160 177.300 0.073 0.000 1.151 473 P CA 1.233 64.372 63.100 0.065 0.000 0.787 473 P CB 0.297 32.027 31.700 0.050 0.000 0.788 474 D N -0.132 120.331 120.400 0.105 0.000 2.337 474 D HA 0.104 4.745 4.640 0.001 0.000 0.238 474 D C 0.707 177.118 176.300 0.185 0.000 1.331 474 D CA -0.384 53.677 54.000 0.102 0.000 0.967 474 D CB 0.696 41.524 40.800 0.047 0.000 1.382 474 D HN -0.149 nan 8.370 nan 0.000 0.549 475 R N 0.546 121.180 120.500 0.224 0.000 2.323 475 R HA 0.048 4.389 4.340 0.001 0.000 0.198 475 R C 1.408 177.906 176.300 0.331 0.000 0.988 475 R CA 0.823 57.148 56.100 0.376 0.000 1.041 475 R CB -0.519 29.907 30.300 0.211 0.000 0.926 475 R HN 0.157 nan 8.270 nan 0.000 0.476 476 S N 1.282 117.083 115.700 0.169 0.000 2.489 476 S HA -0.060 4.410 4.470 0.001 0.000 0.228 476 S C 1.896 176.524 174.600 0.047 0.000 0.995 476 S CA 0.466 58.731 58.200 0.108 0.000 0.934 476 S CB -0.553 62.685 63.200 0.064 0.000 0.771 476 S HN 0.615 nan 8.310 nan 0.000 0.522 477 I N -2.206 118.332 120.570 -0.053 0.000 2.756 477 I HA 0.225 4.395 4.170 0.001 0.000 0.262 477 I C -0.252 175.662 176.117 -0.338 0.000 1.225 477 I CA 0.250 61.406 61.300 -0.240 0.000 1.472 477 I CB -0.585 37.175 38.000 -0.400 0.000 1.094 477 I HN 0.029 nan 8.210 nan 0.000 0.454 478 F N 3.721 123.694 119.950 0.037 0.000 2.434 478 F HA 0.426 4.954 4.527 0.001 0.000 0.358 478 F C 0.357 176.185 175.800 0.047 0.000 1.136 478 F CA -0.234 57.793 58.000 0.044 0.000 1.157 478 F CB 0.381 39.412 39.000 0.051 0.000 1.167 478 F HN -0.087 nan 8.300 nan 0.000 0.539 479 K N 2.243 122.725 120.400 0.136 0.000 2.292 479 K HA 0.568 4.889 4.320 0.001 0.000 0.257 479 K C -0.033 176.628 176.600 0.101 0.000 0.940 479 K CA -0.829 55.518 56.287 0.101 0.000 0.811 479 K CB 2.160 34.689 32.500 0.049 0.000 1.120 479 K HN 0.608 nan 8.250 nan 0.000 0.428 480 T N -1.695 112.913 114.554 0.090 0.000 2.883 480 T HA 0.616 4.967 4.350 0.001 0.000 0.284 480 T C -0.092 174.629 174.700 0.035 0.000 1.041 480 T CA -0.614 61.529 62.100 0.072 0.000 1.007 480 T CB 2.090 71.007 68.868 0.081 0.000 1.220 480 T HN 0.494 nan 8.240 nan 0.000 0.552 481 T N -0.470 114.094 114.554 0.018 0.000 2.711 481 T HA 0.430 4.781 4.350 0.001 0.000 0.302 481 T C -0.981 173.705 174.700 -0.024 0.000 1.373 481 T CA -0.022 62.076 62.100 -0.003 0.000 1.000 481 T CB 0.866 69.737 68.868 0.005 0.000 1.483 481 T HN 1.197 nan 8.240 nan 0.000 0.499 482 N N 0.910 119.591 118.700 -0.032 0.000 2.708 482 N HA -0.188 4.553 4.740 0.001 0.000 0.255 482 N C 0.288 175.746 175.510 -0.087 0.000 1.046 482 N CA 0.865 53.886 53.050 -0.048 0.000 0.715 482 N CB -1.201 37.262 38.487 -0.041 0.000 0.895 482 N HN 1.718 nan 8.380 nan 0.000 0.545 483 A N 0.820 123.586 122.820 -0.091 0.000 2.822 483 A HA -0.245 4.076 4.320 0.001 0.000 0.287 483 A C 0.851 178.330 177.584 -0.175 0.000 1.479 483 A CA 2.142 54.101 52.037 -0.129 0.000 0.779 483 A CB -1.894 17.029 19.000 -0.127 0.000 1.022 483 A HN 0.909 nan 8.150 nan 0.000 0.532 484 E N -3.332 116.795 120.200 -0.120 0.000 3.673 484 E HA -0.335 4.016 4.350 0.001 0.000 0.309 484 E C 0.913 177.428 176.600 -0.142 0.000 0.819 484 E CA 1.371 57.720 56.400 -0.085 0.000 1.111 484 E CB -1.063 28.607 29.700 -0.050 0.000 1.561 484 E HN 0.905 nan 8.360 nan 0.000 0.450 485 R N 0.155 120.524 120.500 -0.218 0.000 2.276 485 R HA 0.067 4.408 4.340 0.001 0.000 0.196 485 R C 0.321 176.603 176.300 -0.029 0.000 0.961 485 R CA 0.766 56.723 56.100 -0.239 0.000 1.024 485 R CB 0.479 30.610 30.300 -0.283 0.000 0.940 485 R HN -0.079 nan 8.270 nan 0.000 0.480 486 T N 1.304 115.858 114.554 -0.001 0.000 2.815 486 T HA 0.237 4.588 4.350 0.001 0.000 0.289 486 T C -1.118 173.622 174.700 0.066 0.000 1.000 486 T CA -0.582 61.541 62.100 0.038 0.000 0.958 486 T CB 1.727 70.606 68.868 0.017 0.000 0.944 486 T HN -0.113 nan 8.240 nan 0.000 0.442 487 L N 5.786 127.067 121.223 0.096 0.000 2.325 487 L HA 0.314 4.655 4.340 0.001 0.000 0.284 487 L C 1.064 177.983 176.870 0.082 0.000 1.089 487 L CA 0.394 55.304 54.840 0.117 0.000 0.836 487 L CB 0.466 42.621 42.059 0.160 0.000 1.184 487 L HN 0.543 nan 8.230 nan 0.000 0.444 488 V N 3.724 123.678 119.914 0.066 0.000 2.535 488 V HA 0.072 4.193 4.120 0.001 0.000 0.246 488 V C 0.712 176.823 176.094 0.028 0.000 1.045 488 V CA 1.072 63.396 62.300 0.040 0.000 1.058 488 V CB -0.334 31.507 31.823 0.031 0.000 0.689 488 V HN 0.773 nan 8.190 nan 0.000 0.461 489 E N 0.247 120.463 120.200 0.025 0.000 2.340 489 E HA 0.346 4.696 4.350 0.001 0.000 0.273 489 E C -2.809 173.752 176.600 -0.064 0.000 0.891 489 E CA -2.215 54.171 56.400 -0.022 0.000 0.757 489 E CB 2.530 32.204 29.700 -0.043 0.000 1.231 489 E HN 0.079 nan 8.360 nan 0.000 0.439 490 P HA -0.008 nan 4.420 nan 0.000 0.271 490 P C -0.552 176.730 177.300 -0.029 0.000 1.216 490 P CA -0.254 62.781 63.100 -0.109 0.000 0.776 490 P CB 0.653 32.260 31.700 -0.155 0.000 0.881 491 K N 1.587 121.973 120.400 -0.023 0.000 2.518 491 K HA 0.105 4.425 4.320 0.001 0.000 0.276 491 K C 1.712 178.317 176.600 0.008 0.000 0.974 491 K CA 1.231 57.517 56.287 -0.002 0.000 0.986 491 K CB -0.731 31.766 32.500 -0.005 0.000 0.901 491 K HN 0.887 nan 8.250 nan 0.000 0.497 492 G N 1.857 110.667 108.800 0.018 0.000 2.328 492 G HA2 -0.395 3.566 3.960 0.001 0.000 0.256 492 G HA3 -0.395 3.566 3.960 0.001 0.000 0.256 492 G C 0.990 175.912 174.900 0.037 0.000 1.014 492 G CA 0.729 45.843 45.100 0.024 0.000 0.620 492 G HN 0.603 nan 8.290 nan 0.000 0.530 493 M N -0.240 119.388 119.600 0.047 0.000 2.175 493 M HA 0.005 4.485 4.480 0.001 0.000 0.264 493 M C 2.446 178.792 176.300 0.076 0.000 1.063 493 M CA 2.688 58.031 55.300 0.071 0.000 1.119 493 M CB -0.075 32.588 32.600 0.105 0.000 1.377 493 M HN 0.341 nan 8.290 nan 0.000 0.415 494 Q N 0.725 120.569 119.800 0.073 0.000 2.170 494 Q HA -0.193 4.148 4.340 0.001 0.000 0.203 494 Q C 1.269 177.304 176.000 0.058 0.000 0.976 494 Q CA 2.027 57.874 55.803 0.073 0.000 0.858 494 Q CB -0.274 28.505 28.738 0.067 0.000 0.907 494 Q HN 0.505 nan 8.270 nan 0.000 0.433 495 D N -0.135 120.293 120.400 0.047 0.000 2.117 495 D HA -0.146 4.495 4.640 0.001 0.000 0.197 495 D C 1.594 177.918 176.300 0.040 0.000 0.987 495 D CA 1.057 55.080 54.000 0.038 0.000 0.829 495 D CB 0.042 40.860 40.800 0.030 0.000 0.961 495 D HN 0.315 nan 8.370 nan 0.000 0.460 496 E N 0.354 120.581 120.200 0.045 0.000 2.106 496 E HA -0.059 4.292 4.350 0.001 0.000 0.192 496 E C 2.479 179.112 176.600 0.054 0.000 0.984 496 E CA 0.194 56.622 56.400 0.046 0.000 0.806 496 E CB -0.176 29.553 29.700 0.048 0.000 0.750 496 E HN 0.409 nan 8.360 nan 0.000 0.458 497 I N 1.516 122.124 120.570 0.064 0.000 2.252 497 I HA -0.254 3.917 4.170 0.001 0.000 0.245 497 I C 1.766 177.927 176.117 0.072 0.000 1.102 497 I CA 1.121 62.464 61.300 0.072 0.000 1.385 497 I CB -0.224 37.826 38.000 0.083 0.000 1.064 497 I HN -0.052 nan 8.210 nan 0.000 0.414 498 D N 1.222 121.660 120.400 0.064 0.000 2.123 498 D HA -0.178 4.462 4.640 0.001 0.000 0.196 498 D C 2.159 178.488 176.300 0.048 0.000 0.992 498 D CA 1.279 55.312 54.000 0.057 0.000 0.833 498 D CB -0.194 40.633 40.800 0.045 0.000 0.954 498 D HN 0.329 nan 8.370 nan 0.000 0.455 499 K N 0.098 120.522 120.400 0.039 0.000 2.097 499 K HA -0.038 4.283 4.320 0.001 0.000 0.206 499 K C 2.318 178.933 176.600 0.025 0.000 1.049 499 K CA 0.569 56.870 56.287 0.024 0.000 0.933 499 K CB -0.101 32.410 32.500 0.019 0.000 0.717 499 K HN 0.170 nan 8.250 nan 0.000 0.442 500 L N 0.589 121.847 121.223 0.058 0.000 2.027 500 L HA -0.156 4.185 4.340 0.001 0.000 0.206 500 L C 2.378 179.348 176.870 0.167 0.000 1.074 500 L CA 0.767 55.669 54.840 0.104 0.000 0.745 500 L CB -0.478 41.656 42.059 0.125 0.000 0.898 500 L HN -0.043 nan 8.230 nan 0.000 0.433 501 V N 0.313 120.316 119.914 0.148 0.000 2.407 501 V HA -0.298 3.823 4.120 0.001 0.000 0.248 501 V C 2.741 178.918 176.094 0.138 0.000 1.055 501 V CA 1.790 64.197 62.300 0.178 0.000 1.049 501 V CB -0.905 30.991 31.823 0.122 0.000 0.662 501 V HN 0.491 nan 8.190 nan 0.000 0.455 502 A N -0.796 122.057 122.820 0.055 0.000 2.070 502 A HA -0.268 4.053 4.320 0.001 0.000 0.220 502 A C 2.120 179.664 177.584 -0.067 0.000 1.159 502 A CA 1.628 53.670 52.037 0.007 0.000 0.656 502 A CB -0.445 18.553 19.000 -0.003 0.000 0.800 502 A HN 0.669 nan 8.150 nan 0.000 0.453 503 Q N -1.736 117.955 119.800 -0.181 0.000 2.364 503 Q HA -0.059 4.282 4.340 0.001 0.000 0.207 503 Q C -0.648 174.987 176.000 -0.608 0.000 0.970 503 Q CA 0.625 56.150 55.803 -0.463 0.000 0.888 503 Q CB -0.051 28.241 28.738 -0.743 0.000 0.951 503 Q HN 0.825 nan 8.270 nan 0.000 0.469 504 Y N -0.467 119.837 120.300 0.006 0.000 2.409 504 Y HA 0.381 4.932 4.550 0.001 0.000 0.343 504 Y C -2.298 173.608 175.900 0.010 0.000 0.973 504 Y CA -3.476 54.627 58.100 0.005 0.000 1.064 504 Y CB 0.943 39.403 38.460 -0.001 0.000 1.207 504 Y HN -0.141 nan 8.280 nan 0.000 0.452 505 P HA 0.136 nan 4.420 nan 0.000 0.271 505 P C -0.484 176.876 177.300 0.099 0.000 1.216 505 P CA 0.289 63.446 63.100 0.096 0.000 0.771 505 P CB 0.355 32.099 31.700 0.073 0.000 0.864 506 N N -0.780 117.967 118.700 0.079 0.000 2.863 506 N HA -0.172 4.569 4.740 0.001 0.000 0.245 506 N C 0.590 176.149 175.510 0.083 0.000 1.001 506 N CA 0.771 53.865 53.050 0.073 0.000 0.901 506 N CB -1.648 36.877 38.487 0.064 0.000 1.124 506 N HN 0.626 nan 8.380 nan 0.000 0.582 507 G N 0.569 109.433 108.800 0.107 0.000 2.380 507 G HA2 0.362 4.322 3.960 0.001 0.000 0.242 507 G HA3 0.362 4.322 3.960 0.001 0.000 0.242 507 G C -0.074 174.889 174.900 0.104 0.000 1.298 507 G CA 0.063 45.230 45.100 0.113 0.000 0.878 507 G HN 0.321 nan 8.290 nan 0.000 0.542 508 R N 0.338 120.896 120.500 0.097 0.000 2.563 508 R HA 0.490 4.831 4.340 0.001 0.000 0.262 508 R C -1.548 174.849 176.300 0.161 0.000 1.128 508 R CA -0.466 55.720 56.100 0.144 0.000 0.969 508 R CB 1.661 32.068 30.300 0.178 0.000 1.251 508 R HN 0.728 nan 8.270 nan 0.000 0.442 509 S N 4.305 120.122 115.700 0.195 0.000 2.533 509 S HA 0.764 5.235 4.470 0.001 0.000 0.271 509 S C -1.702 173.058 174.600 0.267 0.000 1.143 509 S CA -0.673 57.631 58.200 0.173 0.000 0.891 509 S CB 0.942 64.161 63.200 0.032 0.000 1.105 509 S HN 0.472 nan 8.310 nan 0.000 0.468 510 F N 1.545 121.539 119.950 0.073 0.000 2.631 510 F HA 0.875 5.403 4.527 0.001 0.000 0.308 510 F C -1.715 174.095 175.800 0.017 0.000 1.097 510 F CA -1.031 56.983 58.000 0.023 0.000 0.952 510 F CB 1.084 40.064 39.000 -0.033 0.000 1.307 510 F HN 0.326 nan 8.300 nan 0.000 0.450 511 V N 2.990 122.948 119.914 0.073 0.000 2.495 511 V HA 0.779 4.900 4.120 0.001 0.000 0.298 511 V C -0.686 175.455 176.094 0.079 0.000 1.031 511 V CA -0.751 61.526 62.300 -0.040 0.000 0.871 511 V CB 1.811 33.613 31.823 -0.035 0.000 0.988 511 V HN 0.978 nan 8.190 nan 0.000 0.432 512 R N 3.317 123.830 120.500 0.021 0.000 2.643 512 R HA 0.860 5.200 4.340 0.001 0.000 0.269 512 R C -0.766 175.557 176.300 0.039 0.000 1.037 512 R CA -0.701 55.465 56.100 0.110 0.000 0.894 512 R CB 1.862 32.311 30.300 0.247 0.000 1.238 512 R HN 0.718 nan 8.270 nan 0.000 0.459 513 A N 1.740 124.606 122.820 0.076 0.000 2.425 513 A HA 0.333 4.654 4.320 0.001 0.000 0.249 513 A C 0.255 177.892 177.584 0.088 0.000 1.084 513 A CA -0.152 51.922 52.037 0.062 0.000 0.781 513 A CB 0.828 19.914 19.000 0.144 0.000 1.019 513 A HN 0.740 nan 8.150 nan 0.000 0.490 514 S N 0.899 116.637 115.700 0.063 0.000 2.592 514 S HA 0.436 4.907 4.470 0.001 0.000 0.271 514 S C 1.178 175.825 174.600 0.077 0.000 1.326 514 S CA 0.087 58.330 58.200 0.071 0.000 1.024 514 S CB 0.870 64.096 63.200 0.044 0.000 0.921 514 S HN 1.212 nan 8.310 nan 0.000 0.527 515 G N 0.910 109.758 108.800 0.078 0.000 3.159 515 G HA2 0.121 4.082 3.960 0.001 0.000 0.232 515 G HA3 0.121 4.082 3.960 0.001 0.000 0.232 515 G C 1.004 175.937 174.900 0.055 0.000 1.116 515 G CA 0.494 45.638 45.100 0.074 0.000 0.767 515 G HN 0.855 nan 8.290 nan 0.000 0.547 516 T N -2.009 112.576 114.554 0.051 0.000 2.971 516 T HA 0.286 4.637 4.350 0.001 0.000 0.252 516 T C 0.528 175.255 174.700 0.045 0.000 1.022 516 T CA 0.222 62.346 62.100 0.041 0.000 0.980 516 T CB 0.320 69.214 68.868 0.043 0.000 1.044 516 T HN 0.471 nan 8.240 nan 0.000 0.501 517 E N 0.357 120.586 120.200 0.048 0.000 2.413 517 E HA 0.423 4.774 4.350 0.001 0.000 0.277 517 E C -1.746 174.882 176.600 0.047 0.000 0.958 517 E CA -0.961 55.467 56.400 0.047 0.000 0.779 517 E CB 0.987 30.714 29.700 0.045 0.000 1.278 517 E HN -0.110 nan 8.360 nan 0.000 0.456 518 D N 0.980 121.408 120.400 0.046 0.000 2.600 518 D HA 0.385 5.026 4.640 0.001 0.000 0.226 518 D C -1.200 175.123 176.300 0.037 0.000 1.119 518 D CA 0.243 54.271 54.000 0.047 0.000 1.051 518 D CB -0.239 40.589 40.800 0.047 0.000 1.106 518 D HN 0.678 nan 8.370 nan 0.000 0.491 519 A N 1.384 124.221 122.820 0.029 0.000 2.610 519 A HA 0.617 4.938 4.320 0.001 0.000 0.291 519 A C -1.432 176.136 177.584 -0.027 0.000 1.086 519 A CA -0.726 51.312 52.037 0.002 0.000 0.677 519 A CB 1.548 20.547 19.000 -0.001 0.000 1.278 519 A HN 0.091 nan 8.150 nan 0.000 0.414 520 V N 1.743 121.602 119.914 -0.092 0.000 2.417 520 V HA 0.447 4.568 4.120 0.001 0.000 0.291 520 V C 0.075 176.085 176.094 -0.141 0.000 1.024 520 V CA -0.530 61.655 62.300 -0.190 0.000 0.861 520 V CB 1.402 32.946 31.823 -0.465 0.000 0.985 520 V HN 0.838 nan 8.190 nan 0.000 0.436 521 R N 3.193 123.643 120.500 -0.084 0.000 2.349 521 R HA 0.670 5.011 4.340 0.001 0.000 0.299 521 R C -1.185 175.052 176.300 -0.103 0.000 1.027 521 R CA -0.526 55.550 56.100 -0.040 0.000 0.958 521 R CB 1.810 32.154 30.300 0.072 0.000 1.047 521 R HN 0.488 nan 8.270 nan 0.000 0.468 522 V N 4.414 124.264 119.914 -0.107 0.000 2.407 522 V HA 0.213 4.334 4.120 0.001 0.000 0.291 522 V C -1.071 174.936 176.094 -0.145 0.000 1.018 522 V CA -0.858 61.340 62.300 -0.170 0.000 0.842 522 V CB 1.097 32.837 31.823 -0.138 0.000 0.996 522 V HN 0.626 nan 8.190 nan 0.000 0.426 523 Y N 4.155 124.190 120.300 -0.442 0.000 2.420 523 Y HA 0.838 5.389 4.550 0.002 0.000 0.334 523 Y C -0.024 175.747 175.900 -0.215 0.000 1.094 523 Y CA -0.426 57.481 58.100 -0.322 0.000 1.126 523 Y CB 1.808 39.969 38.460 -0.497 0.000 1.217 523 Y HN 0.757 nan 8.280 nan 0.000 0.462 524 A N 4.945 127.197 122.820 -0.947 0.000 2.574 524 A HA 0.668 4.989 4.320 0.001 0.000 0.297 524 A C -1.697 175.443 177.584 -0.740 0.000 1.062 524 A CA -0.772 50.902 52.037 -0.605 0.000 0.686 524 A CB 1.491 20.292 19.000 -0.332 0.000 1.285 524 A HN 0.799 nan 8.150 nan 0.000 0.403 525 E N 0.501 120.493 120.200 -0.346 0.000 2.383 525 E HA 0.847 5.198 4.350 0.001 0.000 0.275 525 E C -0.610 175.938 176.600 -0.086 0.000 0.918 525 E CA -0.718 55.574 56.400 -0.179 0.000 0.764 525 E CB 2.175 31.885 29.700 0.017 0.000 1.252 525 E HN 1.776 nan 8.360 nan 0.000 0.449 526 A N 1.246 124.028 122.820 -0.065 0.000 2.536 526 A HA 0.357 4.678 4.320 0.001 0.000 0.293 526 A C -0.244 177.337 177.584 -0.004 0.000 1.119 526 A CA -0.080 51.938 52.037 -0.031 0.000 0.654 526 A CB 0.817 19.750 19.000 -0.112 0.000 1.291 526 A HN 0.813 nan 8.150 nan 0.000 0.439 527 D N -0.031 120.385 120.400 0.026 0.000 2.144 527 D HA -0.034 4.607 4.640 0.001 0.000 0.199 527 D C 0.873 177.180 176.300 0.012 0.000 0.984 527 D CA 2.317 56.336 54.000 0.031 0.000 0.834 527 D CB -0.476 40.353 40.800 0.049 0.000 0.955 527 D HN 0.948 nan 8.370 nan 0.000 0.465 528 T N -4.530 110.022 114.554 -0.004 0.000 2.916 528 T HA 0.381 4.732 4.350 0.001 0.000 0.292 528 T C 0.642 175.312 174.700 -0.050 0.000 1.055 528 T CA -0.737 61.353 62.100 -0.016 0.000 1.009 528 T CB 2.549 71.416 68.868 -0.001 0.000 1.118 528 T HN -0.133 nan 8.240 nan 0.000 0.497 529 Q N 1.124 120.896 119.800 -0.047 0.000 2.050 529 Q HA -0.120 4.221 4.340 0.001 0.000 0.202 529 Q C 1.873 177.825 176.000 -0.080 0.000 0.980 529 Q CA 2.212 57.976 55.803 -0.066 0.000 0.840 529 Q CB -0.679 28.027 28.738 -0.052 0.000 0.898 529 Q HN 0.734 nan 8.270 nan 0.000 0.424 530 N N 0.346 119.012 118.700 -0.057 0.000 2.036 530 N HA -0.148 4.593 4.740 0.001 0.000 0.195 530 N C 1.303 176.758 175.510 -0.091 0.000 1.037 530 N CA 1.562 54.580 53.050 -0.052 0.000 0.855 530 N CB -0.500 37.977 38.487 -0.016 0.000 1.033 530 N HN 0.327 nan 8.380 nan 0.000 0.423 531 N N 0.258 118.895 118.700 -0.105 0.000 2.120 531 N HA -0.100 4.641 4.740 0.001 0.000 0.188 531 N C 1.826 177.035 175.510 -0.503 0.000 1.024 531 N CA 0.473 53.360 53.050 -0.271 0.000 0.852 531 N CB -0.720 37.698 38.487 -0.115 0.000 1.003 531 N HN 0.074 nan 8.380 nan 0.000 0.424 532 V N 1.721 121.445 119.914 -0.317 0.000 2.490 532 V HA -0.170 3.951 4.120 0.001 0.000 0.250 532 V C 1.800 177.731 176.094 -0.272 0.000 1.061 532 V CA 1.658 63.772 62.300 -0.311 0.000 1.064 532 V CB -0.222 31.469 31.823 -0.219 0.000 0.670 532 V HN 0.281 nan 8.190 nan 0.000 0.461 533 E N -0.494 119.582 120.200 -0.208 0.000 2.106 533 E HA -0.250 4.101 4.350 0.001 0.000 0.192 533 E C 2.123 178.632 176.600 -0.152 0.000 0.984 533 E CA 1.367 57.674 56.400 -0.156 0.000 0.806 533 E CB -0.015 29.619 29.700 -0.110 0.000 0.750 533 E HN 0.749 nan 8.360 nan 0.000 0.458 534 E N 0.664 120.753 120.200 -0.185 0.000 2.072 534 E HA -0.169 4.181 4.350 0.001 0.000 0.190 534 E C 2.108 178.613 176.600 -0.158 0.000 0.982 534 E CA 0.409 56.733 56.400 -0.126 0.000 0.803 534 E CB 0.105 29.769 29.700 -0.059 0.000 0.755 534 E HN 0.081 nan 8.360 nan 0.000 0.453 535 L N 0.498 121.493 121.223 -0.381 0.000 2.056 535 L HA -0.112 4.229 4.340 0.001 0.000 0.207 535 L C 2.388 179.167 176.870 -0.153 0.000 1.078 535 L CA 2.087 56.758 54.840 -0.283 0.000 0.749 535 L CB -0.833 40.940 42.059 -0.477 0.000 0.901 535 L HN 0.085 nan 8.230 nan 0.000 0.433 536 S N -0.628 114.959 115.700 -0.187 0.000 2.353 536 S HA -0.279 4.191 4.470 0.001 0.000 0.222 536 S C 2.197 176.737 174.600 -0.099 0.000 1.035 536 S CA 1.802 59.911 58.200 -0.152 0.000 1.025 536 S CB -0.366 62.732 63.200 -0.169 0.000 0.902 536 S HN 0.488 nan 8.310 nan 0.000 0.440 537 K N 1.556 121.905 120.400 -0.085 0.000 2.026 537 K HA 0.112 4.433 4.320 0.001 0.000 0.208 537 K C 2.122 178.705 176.600 -0.028 0.000 1.048 537 K CA 1.727 57.982 56.287 -0.052 0.000 0.929 537 K CB -1.168 31.307 32.500 -0.043 0.000 0.713 537 K HN 0.349 nan 8.250 nan 0.000 0.439 538 A N 0.109 122.921 122.820 -0.013 0.000 1.892 538 A HA -0.153 4.168 4.320 0.001 0.000 0.218 538 A C 2.384 179.977 177.584 0.015 0.000 1.188 538 A CA 2.167 54.215 52.037 0.018 0.000 0.631 538 A CB -0.935 18.101 19.000 0.059 0.000 0.822 538 A HN 0.150 nan 8.150 nan 0.000 0.447 539 V N 0.842 120.757 119.914 0.001 0.000 2.358 539 V HA -0.217 3.904 4.120 0.001 0.000 0.246 539 V C 2.976 179.063 176.094 -0.012 0.000 1.047 539 V CA 2.288 64.589 62.300 0.002 0.000 1.035 539 V CB -0.876 30.939 31.823 -0.014 0.000 0.658 539 V HN 0.833 nan 8.190 nan 0.000 0.452 540 S N -0.180 115.498 115.700 -0.035 0.000 2.419 540 S HA -0.209 4.262 4.470 0.001 0.000 0.233 540 S C 1.690 176.280 174.600 -0.017 0.000 1.016 540 S CA 1.301 59.475 58.200 -0.043 0.000 0.974 540 S CB -0.413 62.753 63.200 -0.056 0.000 0.786 540 S HN 0.634 nan 8.310 nan 0.000 0.492 541 E N 1.079 121.278 120.200 -0.002 0.000 2.418 541 E HA 0.134 4.485 4.350 0.001 0.000 0.197 541 E C 1.746 178.365 176.600 0.032 0.000 1.026 541 E CA 0.315 56.722 56.400 0.013 0.000 0.862 541 E CB -0.222 29.486 29.700 0.013 0.000 0.799 541 E HN 0.609 nan 8.360 nan 0.000 0.518 542 L N 0.360 121.607 121.223 0.040 0.000 2.341 542 L HA 0.013 4.354 4.340 0.001 0.000 0.214 542 L C 0.753 177.691 176.870 0.114 0.000 1.115 542 L CA 0.104 54.986 54.840 0.070 0.000 0.820 542 L CB 0.254 42.357 42.059 0.074 0.000 0.944 542 L HN -0.173 nan 8.230 nan 0.000 0.452 543 V N 1.682 121.649 119.914 0.088 0.000 2.439 543 V HA 0.112 4.233 4.120 0.001 0.000 0.271 543 V C 0.166 176.352 176.094 0.154 0.000 1.040 543 V CA 0.161 62.536 62.300 0.125 0.000 1.002 543 V CB 0.424 32.200 31.823 -0.079 0.000 1.000 543 V HN 0.246 nan 8.190 nan 0.000 0.477 544 K N 0.000 120.563 120.400 0.272 0.000 2.780 544 K HA 0.000 4.321 4.320 0.001 0.000 0.191 544 K CA 0.000 56.395 56.287 0.180 0.000 0.838 544 K CB 0.000 32.567 32.500 0.111 0.000 1.064 544 K HN 0.000 nan 8.250 nan 0.000 0.543