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 1y7b_1_C DATA FIRST_RESID 2 DATA SEQUENCE SLIKNPILRG FNPDPSICRA DTDYYIATST FEWFPGVQIH HSKDLVNWHL DATA SEQUENCE VAHPLNRTSL LDMKGNPNSG GIWAPDLSYH DGKFWLIYTD VKVTDGMWKD DATA SEQUENCE CHNYLTTCES VDGVWSDPIT LNGSGFDASL FHDNDGKKYL VNMYWDQRTY DATA SEQUENCE NHNFYGIVLQ EYSDKEKKLI GKAKIIYKGT DIKYTEGPHI YHIGDYYYLF DATA SEQUENCE TAEGGTTYEH SETVARSKNI DGPYEIDPEY PLLTSWHDPR NSLQKCGHAS DATA SEQUENCE LVHTHTDEWY LAHLVGRPLP VGNQPVLEQR GYCPLGRETS IQRIEWVDNW DATA SEQUENCE PRVVGGKQGS VNVEAPKIPE VKWEKTYDEK DNFDSDKLNI NFQSLRIPLT DATA SEQUENCE ENIASLKAKK GNLRLYGKES LTSTFTQAFI ARRWQSFKFD ASTSVSFSPD DATA SEQUENCE TFQQAAGLTC YYNTENWSTI QVTWNEDKGR VIDIVCCDNF HFDMPLKSNV DATA SEQUENCE IPIPKDVEYI HLKVEVRVET YQYSYSFDGI NWSKVPAIFE SRKLSDDYVQ DATA SEQUENCE GGGFFTGAFV GINCIDITGN NKPADFDYFC YKEE VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.604 174.600 0.007 0.000 1.055 2 S CA 0.000 58.194 58.200 -0.010 0.000 1.107 2 S CB 0.000 63.180 63.200 -0.034 0.000 0.593 3 L N 1.738 122.968 121.223 0.012 0.000 2.346 3 L HA 0.605 4.945 4.340 0.001 0.000 0.276 3 L C -0.772 176.118 176.870 0.034 0.000 1.006 3 L CA -0.793 54.066 54.840 0.032 0.000 0.817 3 L CB 1.344 43.424 42.059 0.035 0.000 1.272 3 L HN 0.593 nan 8.230 nan 0.000 0.421 4 I N 3.343 123.945 120.570 0.054 0.000 2.496 4 I HA 0.101 4.271 4.170 0.001 0.000 0.285 4 I C 0.160 176.318 176.117 0.069 0.000 1.080 4 I CA 0.038 61.379 61.300 0.068 0.000 1.404 4 I CB 0.437 38.491 38.000 0.090 0.000 1.403 4 I HN 0.451 nan 8.210 nan 0.000 0.539 5 K N 5.859 126.297 120.400 0.064 0.000 2.414 5 K HA 0.327 4.648 4.320 0.001 0.000 0.251 5 K C -0.822 175.803 176.600 0.042 0.000 1.037 5 K CA -0.775 55.544 56.287 0.052 0.000 0.980 5 K CB 0.719 33.246 32.500 0.045 0.000 1.280 5 K HN 0.472 nan 8.250 nan 0.000 0.451 6 N N 3.255 121.978 118.700 0.038 0.000 2.525 6 N HA 0.210 4.950 4.740 0.001 0.000 0.271 6 N C -2.434 173.079 175.510 0.005 0.000 1.194 6 N CA -1.417 51.640 53.050 0.011 0.000 0.964 6 N CB 0.582 39.084 38.487 0.025 0.000 1.126 6 N HN 0.239 nan 8.380 nan 0.000 0.452 7 P HA 0.198 nan 4.420 nan 0.000 0.278 7 P C 0.873 178.120 177.300 -0.089 0.000 1.238 7 P CA -0.353 62.702 63.100 -0.076 0.000 0.794 7 P CB 0.607 32.252 31.700 -0.091 0.000 0.955 8 I N -0.675 119.802 120.570 -0.156 0.000 2.716 8 I HA 0.095 4.265 4.170 0.001 0.000 0.259 8 I C 0.193 176.141 176.117 -0.282 0.000 1.172 8 I CA 1.022 62.216 61.300 -0.176 0.000 1.478 8 I CB -0.337 37.498 38.000 -0.273 0.000 1.104 8 I HN 0.053 nan 8.210 nan 0.000 0.439 9 L N 2.561 123.564 121.223 -0.366 0.000 2.342 9 L HA 0.558 4.899 4.340 0.001 0.000 0.276 9 L C -0.303 176.419 176.870 -0.247 0.000 0.997 9 L CA -0.457 54.136 54.840 -0.411 0.000 0.838 9 L CB 1.376 43.043 42.059 -0.652 0.000 1.224 9 L HN 0.105 nan 8.230 nan 0.000 0.416 10 R N 1.381 121.783 120.500 -0.163 0.000 2.596 10 R HA 0.761 5.101 4.340 0.001 0.000 0.267 10 R C 0.484 176.723 176.300 -0.102 0.000 1.026 10 R CA -0.093 55.941 56.100 -0.110 0.000 1.087 10 R CB 1.470 31.724 30.300 -0.076 0.000 1.132 10 R HN 0.792 nan 8.270 nan 0.000 0.531 11 G N 1.189 109.951 108.800 -0.062 0.000 2.749 11 G HA2 -0.335 3.625 3.960 0.001 0.000 0.242 11 G HA3 -0.335 3.625 3.960 0.001 0.000 0.242 11 G C -0.490 174.412 174.900 0.003 0.000 1.364 11 G CA -0.112 44.969 45.100 -0.032 0.000 0.888 11 G HN 0.617 nan 8.290 nan 0.000 0.566 12 F N 2.230 122.088 119.950 -0.154 0.000 2.474 12 F HA 0.361 4.888 4.527 0.001 0.000 0.375 12 F C 0.572 176.345 175.800 -0.045 0.000 1.090 12 F CA -0.067 57.882 58.000 -0.086 0.000 1.044 12 F CB -0.302 38.631 39.000 -0.112 0.000 1.018 12 F HN 0.376 nan 8.300 nan 0.000 0.560 13 N N 7.100 125.686 118.700 -0.189 0.000 2.732 13 N HA 0.190 4.931 4.740 0.001 0.000 0.230 13 N C -3.054 172.372 175.510 -0.140 0.000 1.487 13 N CA -0.670 52.209 53.050 -0.285 0.000 0.765 13 N CB 1.517 39.852 38.487 -0.254 0.000 1.384 13 N HN 0.279 nan 8.380 nan 0.000 0.530 14 P HA 0.379 nan 4.420 nan 0.000 0.284 14 P C -0.622 176.666 177.300 -0.019 0.000 1.287 14 P CA 0.011 63.128 63.100 0.028 0.000 0.824 14 P CB 0.831 32.624 31.700 0.154 0.000 1.180 15 D N -2.200 118.182 120.400 -0.030 0.000 2.737 15 D HA -0.104 4.536 4.640 0.001 0.000 0.238 15 D C -2.058 174.288 176.300 0.076 0.000 1.157 15 D CA 0.417 54.355 54.000 -0.103 0.000 0.694 15 D CB -1.608 39.009 40.800 -0.304 0.000 1.021 15 D HN 0.342 nan 8.370 nan 0.000 0.420 16 P HA 0.070 nan 4.420 nan 0.000 0.271 16 P C -0.200 177.202 177.300 0.170 0.000 1.220 16 P CA 0.057 63.198 63.100 0.068 0.000 0.768 16 P CB 1.359 33.052 31.700 -0.012 0.000 0.848 17 S N 4.227 120.017 115.700 0.149 0.000 2.520 17 S HA 0.421 4.892 4.470 0.001 0.000 0.324 17 S C -0.240 174.468 174.600 0.180 0.000 1.069 17 S CA -0.873 57.428 58.200 0.169 0.000 1.121 17 S CB -0.509 62.805 63.200 0.191 0.000 0.971 17 S HN 0.423 nan 8.310 nan 0.000 0.463 18 I N 5.041 125.724 120.570 0.189 0.000 2.440 18 I HA 0.676 4.847 4.170 0.001 0.000 0.294 18 I C -0.547 175.768 176.117 0.330 0.000 0.995 18 I CA -0.363 61.094 61.300 0.263 0.000 1.306 18 I CB 1.060 39.207 38.000 0.245 0.000 1.407 18 I HN 0.799 nan 8.210 nan 0.000 0.501 19 C N 7.827 127.382 119.300 0.425 0.000 2.891 19 C HA 0.524 4.985 4.460 0.001 0.000 0.342 19 C C -0.835 174.425 174.990 0.450 0.000 1.126 19 C CA -0.725 58.561 59.018 0.446 0.000 1.322 19 C CB 1.484 29.518 27.740 0.491 0.000 1.763 19 C HN 0.984 nan 8.230 nan 0.000 0.491 20 R N 3.985 124.680 120.500 0.325 0.000 2.407 20 R HA 0.747 5.087 4.340 0.001 0.000 0.303 20 R C -0.645 175.646 176.300 -0.016 0.000 0.981 20 R CA -0.043 56.093 56.100 0.059 0.000 0.905 20 R CB 1.487 31.818 30.300 0.052 0.000 1.099 20 R HN 1.032 nan 8.270 nan 0.000 0.459 21 A N 4.903 127.590 122.820 -0.222 0.000 2.483 21 A HA 0.350 4.670 4.320 0.001 0.000 0.308 21 A C -0.371 176.976 177.584 -0.395 0.000 1.291 21 A CA -0.612 51.092 52.037 -0.555 0.000 0.774 21 A CB 0.432 18.904 19.000 -0.879 0.000 1.134 21 A HN 1.025 nan 8.150 nan 0.000 0.471 22 D N 1.111 121.344 120.400 -0.279 0.000 4.134 22 D HA -0.258 4.383 4.640 0.001 0.000 0.141 22 D C 1.208 177.282 176.300 -0.378 0.000 0.779 22 D CA 2.855 56.709 54.000 -0.243 0.000 1.126 22 D CB -1.094 39.590 40.800 -0.194 0.000 0.523 22 D HN 1.010 nan 8.370 nan 0.000 0.513 23 T N -1.305 112.995 114.554 -0.422 0.000 3.134 23 T HA 0.237 4.587 4.350 0.001 0.000 0.260 23 T C -0.052 174.404 174.700 -0.407 0.000 1.027 23 T CA -0.226 61.544 62.100 -0.550 0.000 0.913 23 T CB 0.277 68.805 68.868 -0.567 0.000 1.046 23 T HN 0.134 nan 8.240 nan 0.000 0.553 24 D N 1.139 121.271 120.400 -0.445 0.000 2.163 24 D HA 0.388 5.028 4.640 0.001 0.000 0.248 24 D C -1.084 174.755 176.300 -0.767 0.000 1.035 24 D CA -0.239 53.536 54.000 -0.375 0.000 0.872 24 D CB 1.326 42.060 40.800 -0.110 0.000 1.183 24 D HN 0.302 nan 8.370 nan 0.000 0.445 25 Y N 0.714 120.779 120.300 -0.392 0.000 2.409 25 Y HA 0.394 4.945 4.550 0.001 0.000 0.343 25 Y C -0.574 175.142 175.900 -0.306 0.000 0.973 25 Y CA -0.855 57.118 58.100 -0.212 0.000 1.064 25 Y CB 1.443 39.822 38.460 -0.135 0.000 1.207 25 Y HN 0.235 nan 8.280 nan 0.000 0.452 26 Y N 2.562 123.136 120.300 0.457 0.000 2.512 26 Y HA 0.680 5.231 4.550 0.001 0.000 0.348 26 Y C -0.635 175.518 175.900 0.422 0.000 0.990 26 Y CA -1.162 57.202 58.100 0.439 0.000 1.033 26 Y CB 1.866 40.487 38.460 0.269 0.000 1.259 26 Y HN 0.362 nan 8.280 nan 0.000 0.461 27 I N 2.420 123.275 120.570 0.476 0.000 2.436 27 I HA 0.651 4.821 4.170 0.001 0.000 0.289 27 I C -0.535 175.670 176.117 0.147 0.000 1.010 27 I CA -0.960 60.453 61.300 0.187 0.000 1.098 27 I CB 1.755 39.661 38.000 -0.157 0.000 1.266 27 I HN 0.728 nan 8.210 nan 0.000 0.434 28 A N 4.491 127.379 122.820 0.114 0.000 2.290 28 A HA 0.762 5.082 4.320 0.001 0.000 0.310 28 A C 0.037 177.627 177.584 0.009 0.000 1.202 28 A CA -0.340 51.721 52.037 0.041 0.000 0.837 28 A CB 0.528 19.559 19.000 0.051 0.000 1.139 28 A HN 0.723 nan 8.150 nan 0.000 0.509 29 T N -0.256 114.271 114.554 -0.045 0.000 2.932 29 T HA 0.696 5.046 4.350 0.001 0.000 0.289 29 T C 0.186 174.815 174.700 -0.119 0.000 1.039 29 T CA -0.212 61.837 62.100 -0.084 0.000 1.024 29 T CB 1.224 70.010 68.868 -0.137 0.000 1.090 29 T HN 0.994 nan 8.240 nan 0.000 0.496 30 S N 0.525 116.155 115.700 -0.116 0.000 2.592 30 S HA 0.450 4.921 4.470 0.001 0.000 0.271 30 S C 1.010 175.560 174.600 -0.084 0.000 1.326 30 S CA -0.117 57.983 58.200 -0.167 0.000 1.024 30 S CB 0.760 63.785 63.200 -0.291 0.000 0.921 30 S HN 1.080 nan 8.310 nan 0.000 0.527 31 T N -2.180 112.364 114.554 -0.016 0.000 2.986 31 T HA 0.335 4.686 4.350 0.001 0.000 0.264 31 T C 0.490 175.618 174.700 0.713 0.000 0.964 31 T CA -0.218 62.108 62.100 0.377 0.000 0.895 31 T CB -0.832 68.152 68.868 0.194 0.000 1.163 31 T HN 0.551 nan 8.240 nan 0.000 0.517 32 F N 2.654 122.839 119.950 0.392 0.000 2.192 32 F HA -0.335 4.193 4.527 0.001 0.000 0.317 32 F C 1.794 177.733 175.800 0.232 0.000 1.454 32 F CA 1.852 60.055 58.000 0.338 0.000 0.932 32 F CB -1.117 38.071 39.000 0.313 0.000 4.108 32 F HN 0.316 nan 8.300 nan 0.000 0.138 33 E N 0.684 121.069 120.200 0.309 0.000 2.511 33 E HA -0.049 4.301 4.350 0.001 0.000 0.196 33 E C -0.118 176.399 176.600 -0.139 0.000 1.066 33 E CA 0.608 57.006 56.400 -0.003 0.000 0.871 33 E CB -0.402 29.190 29.700 -0.181 0.000 0.863 33 E HN 0.494 nan 8.360 nan 0.000 0.520 34 W N 0.963 122.343 121.300 0.133 0.000 2.315 34 W HA 0.413 5.073 4.660 0.001 0.000 0.316 34 W C -0.341 176.222 176.519 0.074 0.000 1.211 34 W CA -0.762 56.615 57.345 0.054 0.000 1.201 34 W CB 0.535 30.059 29.460 0.106 0.000 1.184 34 W HN -0.109 nan 8.180 nan 0.000 0.544 35 F N 6.219 126.234 119.950 0.108 0.000 2.520 35 F HA 0.556 5.083 4.527 0.001 0.000 0.322 35 F C -1.996 173.762 175.800 -0.071 0.000 1.103 35 F CA -3.090 54.901 58.000 -0.016 0.000 0.926 35 F CB 1.443 40.399 39.000 -0.073 0.000 1.154 35 F HN 0.069 nan 8.300 nan 0.000 0.453 36 P HA 0.260 nan 4.420 nan 0.000 0.274 36 P C -0.612 176.303 177.300 -0.641 0.000 1.237 36 P CA -0.217 62.147 63.100 -1.227 0.000 0.793 36 P CB 0.918 32.143 31.700 -0.791 0.000 0.977 37 G N -0.182 108.242 108.800 -0.626 0.000 2.400 37 G HA2 0.484 4.445 3.960 0.001 0.000 0.301 37 G HA3 0.484 4.445 3.960 0.001 0.000 0.301 37 G C -0.685 174.064 174.900 -0.252 0.000 1.154 37 G CA -0.754 44.163 45.100 -0.305 0.000 0.852 37 G HN 0.428 nan 8.290 nan 0.000 0.511 38 V N 0.665 120.483 119.914 -0.159 0.000 3.497 38 V HA -0.188 3.933 4.120 0.001 0.000 0.484 38 V C 0.112 176.083 176.094 -0.205 0.000 0.682 38 V CA 0.202 62.388 62.300 -0.189 0.000 2.014 38 V CB -1.338 30.313 31.823 -0.286 0.000 2.451 38 V HN 0.942 nan 8.190 nan 0.000 0.502 39 Q N 4.369 124.049 119.800 -0.199 0.000 2.288 39 Q HA 0.637 4.978 4.340 0.001 0.000 0.254 39 Q C -0.161 175.643 176.000 -0.327 0.000 0.932 39 Q CA -0.161 55.400 55.803 -0.404 0.000 0.902 39 Q CB 2.108 30.690 28.738 -0.261 0.000 1.203 39 Q HN 0.742 nan 8.270 nan 0.000 0.415 40 I N 2.478 122.781 120.570 -0.445 0.000 2.436 40 I HA 0.281 4.452 4.170 0.001 0.000 0.289 40 I C -0.695 175.271 176.117 -0.251 0.000 1.010 40 I CA -0.669 60.505 61.300 -0.211 0.000 1.098 40 I CB 1.392 39.285 38.000 -0.177 0.000 1.266 40 I HN 0.567 nan 8.210 nan 0.000 0.434 41 H N 3.649 122.717 119.070 -0.004 0.000 2.573 41 H HA 0.496 5.053 4.556 0.001 0.000 0.351 41 H C -0.800 174.703 175.328 0.292 0.000 1.163 41 H CA -0.485 55.599 56.048 0.060 0.000 1.205 41 H CB 1.701 31.529 29.762 0.109 0.000 1.605 41 H HN 0.494 nan 8.280 nan 0.000 0.525 42 H N 0.680 119.799 119.070 0.083 0.000 2.679 42 H HA 0.643 5.199 4.556 0.001 0.000 0.367 42 H C -1.204 173.962 175.328 -0.269 0.000 1.162 42 H CA -0.580 55.376 56.048 -0.154 0.000 1.181 42 H CB 2.092 31.605 29.762 -0.416 0.000 1.693 42 H HN 0.555 nan 8.280 nan 0.000 0.538 43 S N 2.106 117.019 115.700 -1.313 0.000 2.537 43 S HA 0.260 4.730 4.470 0.001 0.000 0.270 43 S C -0.001 174.114 174.600 -0.809 0.000 1.142 43 S CA -0.753 56.742 58.200 -1.176 0.000 0.870 43 S CB 1.698 63.596 63.200 -2.171 0.000 1.112 43 S HN 0.720 nan 8.310 nan 0.000 0.466 44 K N 1.411 121.615 120.400 -0.327 0.000 2.242 44 K HA 0.110 4.431 4.320 0.001 0.000 0.200 44 K C 0.488 177.020 176.600 -0.114 0.000 1.050 44 K CA 1.171 57.403 56.287 -0.092 0.000 0.981 44 K CB -0.041 32.450 32.500 -0.015 0.000 0.795 44 K HN 0.808 nan 8.250 nan 0.000 0.477 45 D N -0.540 119.693 120.400 -0.279 0.000 2.469 45 D HA 0.068 4.709 4.640 0.001 0.000 0.213 45 D C 0.941 177.014 176.300 -0.377 0.000 1.135 45 D CA -0.153 53.681 54.000 -0.277 0.000 0.834 45 D CB 0.013 40.689 40.800 -0.207 0.000 1.009 45 D HN 0.040 nan 8.370 nan 0.000 0.507 46 L N -0.927 119.989 121.223 -0.512 0.000 5.188 46 L HA -0.300 4.041 4.340 0.001 0.000 0.431 46 L C 1.188 178.074 176.870 0.026 0.000 1.017 46 L CA 0.732 55.401 54.840 -0.286 0.000 1.195 46 L CB -1.635 40.213 42.059 -0.352 0.000 1.860 46 L HN 0.095 nan 8.230 nan 0.000 0.691 47 V N -1.397 118.444 119.914 -0.121 0.000 2.492 47 V HA 0.108 4.229 4.120 0.001 0.000 0.241 47 V C 1.105 177.261 176.094 0.103 0.000 1.041 47 V CA 1.500 63.815 62.300 0.025 0.000 1.057 47 V CB -0.012 31.787 31.823 -0.041 0.000 0.711 47 V HN 0.346 nan 8.190 nan 0.000 0.468 48 N N -0.599 118.053 118.700 -0.081 0.000 2.372 48 N HA 0.335 5.075 4.740 0.001 0.000 0.291 48 N C -1.693 173.805 175.510 -0.020 0.000 1.024 48 N CA -0.270 52.826 53.050 0.076 0.000 0.873 48 N CB 1.857 40.374 38.487 0.050 0.000 1.206 48 N HN 0.248 nan 8.380 nan 0.000 0.486 49 W N 0.435 121.871 121.300 0.227 0.000 2.844 49 W HA 0.360 5.021 4.660 0.001 0.000 0.340 49 W C 0.230 176.842 176.519 0.155 0.000 1.093 49 W CA -0.555 56.874 57.345 0.140 0.000 1.212 49 W CB 0.963 30.430 29.460 0.012 0.000 1.422 49 W HN 0.531 nan 8.180 nan 0.000 0.515 50 H N -0.190 118.859 119.070 -0.035 0.000 2.851 50 H HA 0.717 5.274 4.556 0.001 0.000 0.372 50 H C -1.505 173.816 175.328 -0.012 0.000 1.158 50 H CA -1.500 54.494 56.048 -0.090 0.000 1.159 50 H CB 1.730 31.222 29.762 -0.449 0.000 1.757 50 H HN 0.383 nan 8.280 nan 0.000 0.546 51 L N 3.798 124.946 121.223 -0.125 0.000 2.319 51 L HA 0.208 4.548 4.340 0.001 0.000 0.280 51 L C 0.391 177.008 176.870 -0.421 0.000 1.099 51 L CA 0.059 54.613 54.840 -0.478 0.000 0.828 51 L CB 1.103 42.904 42.059 -0.430 0.000 1.150 51 L HN 0.835 nan 8.230 nan 0.000 0.442 52 V N 1.877 121.512 119.914 -0.466 0.000 3.497 52 V HA 0.836 4.956 4.120 0.001 0.000 0.272 52 V C 0.330 176.262 176.094 -0.271 0.000 1.474 52 V CA 0.453 62.537 62.300 -0.360 0.000 1.025 52 V CB -0.329 31.244 31.823 -0.418 0.000 0.820 52 V HN 0.958 nan 8.190 nan 0.000 0.437 53 A N -0.266 122.333 122.820 -0.368 0.000 2.608 53 A HA 0.854 5.174 4.320 0.001 0.000 0.292 53 A C -1.626 175.622 177.584 -0.560 0.000 1.066 53 A CA -0.490 51.367 52.037 -0.299 0.000 0.676 53 A CB 1.105 19.992 19.000 -0.188 0.000 1.277 53 A HN 0.569 nan 8.150 nan 0.000 0.413 54 H N 1.124 120.069 119.070 -0.208 0.000 2.974 54 H HA 0.365 4.921 4.556 0.001 0.000 0.285 54 H C -2.364 172.759 175.328 -0.343 0.000 1.227 54 H CA -1.205 54.670 56.048 -0.288 0.000 1.569 54 H CB 1.495 31.089 29.762 -0.279 0.000 1.648 54 H HN 0.380 nan 8.280 nan 0.000 0.521 55 P HA -0.130 nan 4.420 nan 0.000 0.218 55 P C 0.082 177.068 177.300 -0.523 0.000 1.148 55 P CA 1.097 63.785 63.100 -0.687 0.000 0.822 55 P CB 0.485 31.220 31.700 -1.609 0.000 0.784 56 L N 0.803 121.702 121.223 -0.539 0.000 2.422 56 L HA 0.188 4.529 4.340 0.001 0.000 0.256 56 L C 0.584 177.137 176.870 -0.529 0.000 1.202 56 L CA -0.170 54.358 54.840 -0.520 0.000 1.119 56 L CB -0.529 41.150 42.059 -0.633 0.000 1.383 56 L HN 0.073 nan 8.230 nan 0.000 0.411 57 N N 1.752 120.265 118.700 -0.311 0.000 2.238 57 N HA 0.073 4.814 4.740 0.001 0.000 0.235 57 N C -0.006 175.591 175.510 0.146 0.000 1.209 57 N CA -0.590 52.304 53.050 -0.261 0.000 0.879 57 N CB 0.564 38.959 38.487 -0.153 0.000 1.136 57 N HN 0.507 nan 8.380 nan 0.000 0.517 58 R N -2.331 118.283 120.500 0.190 0.000 2.698 58 R HA 0.499 4.839 4.340 0.001 0.000 0.275 58 R C -0.377 176.032 176.300 0.181 0.000 1.001 58 R CA -0.677 55.545 56.100 0.204 0.000 0.896 58 R CB 0.442 30.796 30.300 0.091 0.000 1.218 58 R HN -0.243 nan 8.270 nan 0.000 0.462 59 T N 0.746 115.356 114.554 0.093 0.000 2.737 59 T HA -0.233 4.117 4.350 0.001 0.000 0.269 59 T C 1.745 176.454 174.700 0.015 0.000 1.040 59 T CA 2.488 64.601 62.100 0.021 0.000 1.142 59 T CB -0.276 68.567 68.868 -0.043 0.000 0.861 59 T HN 0.776 nan 8.240 nan 0.000 0.456 60 S N 1.034 116.743 115.700 0.014 0.000 2.423 60 S HA 0.059 4.529 4.470 0.001 0.000 0.231 60 S C 1.976 176.566 174.600 -0.016 0.000 1.014 60 S CA 0.665 58.863 58.200 -0.003 0.000 0.965 60 S CB -0.528 62.677 63.200 0.009 0.000 0.785 60 S HN 0.428 nan 8.310 nan 0.000 0.495 61 L N -0.475 120.746 121.223 -0.002 0.000 2.202 61 L HA 0.395 4.735 4.340 0.001 0.000 0.205 61 L C 0.229 177.068 176.870 -0.051 0.000 1.083 61 L CA 0.387 55.210 54.840 -0.029 0.000 0.790 61 L CB 0.155 42.163 42.059 -0.084 0.000 0.942 61 L HN 0.313 nan 8.230 nan 0.000 0.452 62 L N -0.115 121.114 121.223 0.009 0.000 2.541 62 L HA 0.400 4.741 4.340 0.001 0.000 0.266 62 L C -1.636 175.298 176.870 0.106 0.000 0.966 62 L CA -0.310 54.565 54.840 0.059 0.000 0.871 62 L CB 1.441 43.525 42.059 0.041 0.000 1.232 62 L HN -0.191 nan 8.230 nan 0.000 0.408 63 D N 5.456 125.877 120.400 0.035 0.000 2.461 63 D HA 0.399 5.040 4.640 0.001 0.000 0.240 63 D C -0.052 176.242 176.300 -0.010 0.000 1.094 63 D CA -0.124 53.868 54.000 -0.012 0.000 0.868 63 D CB 0.920 41.703 40.800 -0.028 0.000 1.062 63 D HN 0.647 nan 8.370 nan 0.000 0.530 64 M N 2.109 121.686 119.600 -0.039 0.000 2.496 64 M HA 0.143 4.623 4.480 0.001 0.000 0.330 64 M C 0.639 176.849 176.300 -0.150 0.000 1.133 64 M CA -0.467 54.803 55.300 -0.051 0.000 0.964 64 M CB 0.451 33.053 32.600 0.004 0.000 1.401 64 M HN 0.095 nan 8.290 nan 0.000 0.520 65 K N 1.295 121.591 120.400 -0.174 0.000 2.472 65 K HA 0.124 4.444 4.320 0.001 0.000 0.280 65 K C 1.143 177.494 176.600 -0.415 0.000 1.028 65 K CA 1.272 57.404 56.287 -0.258 0.000 1.045 65 K CB 0.230 32.655 32.500 -0.126 0.000 0.902 65 K HN 0.488 nan 8.250 nan 0.000 0.478 66 G N 2.644 110.936 108.800 -0.847 0.000 2.184 66 G HA2 -0.286 3.674 3.960 0.001 0.000 0.264 66 G HA3 -0.286 3.674 3.960 0.001 0.000 0.264 66 G C -0.147 174.505 174.900 -0.413 0.000 0.975 66 G CA 0.253 44.747 45.100 -1.011 0.000 0.642 66 G HN 0.703 nan 8.290 nan 0.000 0.536 67 N N 2.238 120.781 118.700 -0.262 0.000 2.454 67 N HA 0.412 5.152 4.740 0.001 0.000 0.254 67 N C -1.701 173.762 175.510 -0.079 0.000 1.228 67 N CA -0.776 52.206 53.050 -0.113 0.000 0.900 67 N CB 0.779 39.239 38.487 -0.046 0.000 1.089 67 N HN 0.249 nan 8.380 nan 0.000 0.449 68 P HA 0.025 nan 4.420 nan 0.000 0.272 68 P C -0.606 176.725 177.300 0.051 0.000 1.240 68 P CA -0.246 62.867 63.100 0.022 0.000 0.791 68 P CB 0.523 32.252 31.700 0.050 0.000 0.978 69 N N 0.448 119.178 118.700 0.051 0.000 2.412 69 N HA -0.039 4.702 4.740 0.001 0.000 0.254 69 N C 0.670 176.242 175.510 0.103 0.000 1.232 69 N CA 0.583 53.668 53.050 0.058 0.000 0.880 69 N CB -0.471 38.054 38.487 0.064 0.000 1.076 69 N HN 0.363 nan 8.380 nan 0.000 0.458 70 S N -1.420 114.353 115.700 0.121 0.000 3.358 70 S HA -0.163 4.308 4.470 0.001 0.000 0.309 70 S C 0.954 175.937 174.600 0.638 0.000 1.247 70 S CA 1.066 59.392 58.200 0.211 0.000 0.961 70 S CB -1.333 61.786 63.200 -0.135 0.000 1.074 70 S HN 0.907 nan 8.310 nan 0.000 0.625 71 G N 0.139 109.228 108.800 0.482 0.000 2.582 71 G HA2 0.651 4.611 3.960 0.001 0.000 0.232 71 G HA3 0.651 4.611 3.960 0.001 0.000 0.232 71 G C 0.941 176.133 174.900 0.486 0.000 1.458 71 G CA 0.264 45.653 45.100 0.481 0.000 1.062 71 G HN 1.494 nan 8.290 nan 0.000 0.566 72 G N -0.788 108.158 108.800 0.242 0.000 2.550 72 G HA2 -0.228 3.732 3.960 0.001 0.000 0.277 72 G HA3 -0.228 3.732 3.960 0.001 0.000 0.277 72 G C 0.144 175.173 174.900 0.215 0.000 1.190 72 G CA 0.167 45.387 45.100 0.200 0.000 0.971 72 G HN 0.846 nan 8.290 nan 0.000 0.559 73 I N 1.349 121.991 120.570 0.121 0.000 2.406 73 I HA 0.279 4.449 4.170 0.001 0.000 0.293 73 I C 0.535 176.447 176.117 -0.343 0.000 1.101 73 I CA -0.431 60.864 61.300 -0.008 0.000 1.334 73 I CB -0.522 37.450 38.000 -0.048 0.000 1.421 73 I HN 0.416 nan 8.210 nan 0.000 0.513 74 W N 4.409 125.413 121.300 -0.494 0.000 1.940 74 W HA 0.518 5.178 4.660 0.001 0.000 0.516 74 W C 0.677 176.991 176.519 -0.342 0.000 2.058 74 W CA -0.759 56.225 57.345 -0.601 0.000 2.332 74 W CB -0.203 29.109 29.460 -0.247 0.000 1.870 74 W HN 0.497 nan 8.180 nan 0.000 0.766 75 A N 3.934 126.790 122.820 0.060 0.000 2.580 75 A HA 0.193 4.514 4.320 0.001 0.000 0.244 75 A C -2.032 175.651 177.584 0.165 0.000 1.045 75 A CA -0.367 51.705 52.037 0.058 0.000 0.761 75 A CB -1.309 17.783 19.000 0.154 0.000 0.962 75 A HN 0.192 nan 8.150 nan 0.000 0.512 76 P HA 0.481 nan 4.420 nan 0.000 0.283 76 P C -1.240 176.198 177.300 0.231 0.000 1.271 76 P CA -0.440 62.758 63.100 0.163 0.000 0.841 76 P CB 1.499 33.241 31.700 0.069 0.000 1.122 77 D N 0.399 120.943 120.400 0.240 0.000 2.620 77 D HA 0.442 5.082 4.640 0.001 0.000 0.252 77 D C -1.579 174.883 176.300 0.270 0.000 1.207 77 D CA -0.460 53.703 54.000 0.273 0.000 0.884 77 D CB 0.609 41.587 40.800 0.298 0.000 1.262 77 D HN 0.063 nan 8.370 nan 0.000 0.552 78 L N 3.871 125.261 121.223 0.279 0.000 2.325 78 L HA 0.737 5.077 4.340 0.001 0.000 0.281 78 L C -0.871 176.255 176.870 0.427 0.000 1.004 78 L CA -0.138 54.915 54.840 0.355 0.000 0.823 78 L CB 1.358 43.599 42.059 0.304 0.000 1.236 78 L HN 0.511 nan 8.230 nan 0.000 0.415 79 S N 3.525 119.548 115.700 0.539 0.000 2.667 79 S HA 0.694 5.164 4.470 0.001 0.000 0.292 79 S C -1.321 173.636 174.600 0.595 0.000 1.126 79 S CA -0.670 57.848 58.200 0.531 0.000 0.881 79 S CB 1.584 65.088 63.200 0.506 0.000 1.132 79 S HN 0.564 nan 8.310 nan 0.000 0.492 80 Y N 0.487 120.932 120.300 0.241 0.000 2.329 80 Y HA 0.683 5.233 4.550 0.001 0.000 0.328 80 Y C -1.115 174.779 175.900 -0.011 0.000 0.992 80 Y CA -0.255 57.841 58.100 -0.007 0.000 1.151 80 Y CB 1.362 39.670 38.460 -0.254 0.000 1.150 80 Y HN 1.095 nan 8.280 nan 0.000 0.450 81 H N 3.548 122.274 119.070 -0.573 0.000 3.079 81 H HA 0.288 4.845 4.556 0.001 0.000 0.356 81 H C -0.887 174.274 175.328 -0.278 0.000 1.221 81 H CA -0.424 55.293 56.048 -0.551 0.000 1.185 81 H CB 1.358 30.465 29.762 -1.092 0.000 1.882 81 H HN 0.685 nan 8.280 nan 0.000 0.543 82 D N 2.936 123.137 120.400 -0.332 0.000 2.751 82 D HA -0.182 4.459 4.640 0.001 0.000 0.233 82 D C 1.007 177.182 176.300 -0.208 0.000 1.149 82 D CA 1.734 55.658 54.000 -0.127 0.000 0.682 82 D CB -1.372 39.517 40.800 0.149 0.000 1.068 82 D HN 1.130 nan 8.370 nan 0.000 0.429 83 G N 0.014 108.539 108.800 -0.459 0.000 2.155 83 G HA2 -0.353 3.607 3.960 0.001 0.000 0.257 83 G HA3 -0.353 3.607 3.960 0.001 0.000 0.257 83 G C 0.234 174.891 174.900 -0.406 0.000 0.983 83 G CA 1.252 46.114 45.100 -0.396 0.000 0.676 83 G HN 0.831 nan 8.290 nan 0.000 0.528 84 K N -1.477 118.572 120.400 -0.585 0.000 2.522 84 K HA 0.783 5.104 4.320 0.001 0.000 0.275 84 K C -0.922 175.411 176.600 -0.446 0.000 1.006 84 K CA -1.411 54.624 56.287 -0.421 0.000 0.890 84 K CB 1.157 33.408 32.500 -0.415 0.000 1.475 84 K HN -0.024 nan 8.250 nan 0.000 0.441 85 F N 0.566 120.448 119.950 -0.114 0.000 2.385 85 F HA 0.434 4.962 4.527 0.001 0.000 0.336 85 F C -0.651 175.164 175.800 0.025 0.000 1.100 85 F CA -0.000 58.078 58.000 0.131 0.000 1.116 85 F CB 0.934 39.993 39.000 0.099 0.000 1.166 85 F HN 0.374 nan 8.300 nan 0.000 0.511 86 W N 4.821 126.407 121.300 0.477 0.000 2.600 86 W HA 0.625 5.286 4.660 0.001 0.000 0.325 86 W C -1.453 175.348 176.519 0.469 0.000 1.034 86 W CA -0.794 56.815 57.345 0.439 0.000 1.226 86 W CB 1.445 31.120 29.460 0.359 0.000 1.379 86 W HN 0.142 nan 8.180 nan 0.000 0.466 87 L N 5.628 127.222 121.223 0.618 0.000 2.343 87 L HA 0.607 4.947 4.340 0.001 0.000 0.278 87 L C -1.186 175.893 176.870 0.348 0.000 0.996 87 L CA -0.851 54.205 54.840 0.360 0.000 0.831 87 L CB 0.586 42.635 42.059 -0.015 0.000 1.232 87 L HN 0.221 nan 8.230 nan 0.000 0.413 88 I N 6.384 127.127 120.570 0.288 0.000 2.331 88 I HA 0.370 4.541 4.170 0.001 0.000 0.292 88 I C -0.411 175.866 176.117 0.268 0.000 0.998 88 I CA -0.381 61.044 61.300 0.208 0.000 1.267 88 I CB 0.783 38.870 38.000 0.144 0.000 1.386 88 I HN 0.694 nan 8.210 nan 0.000 0.476 89 Y N 2.679 123.051 120.300 0.120 0.000 2.609 89 Y HA 0.787 5.337 4.550 0.001 0.000 0.342 89 Y C -0.722 175.272 175.900 0.157 0.000 1.058 89 Y CA -1.173 56.991 58.100 0.107 0.000 1.055 89 Y CB 1.399 39.888 38.460 0.047 0.000 1.292 89 Y HN 0.372 nan 8.280 nan 0.000 0.476 90 T N 2.095 116.808 114.554 0.265 0.000 2.841 90 T HA 0.239 4.590 4.350 0.001 0.000 0.285 90 T C -1.841 172.971 174.700 0.187 0.000 0.991 90 T CA -0.550 61.632 62.100 0.136 0.000 0.966 90 T CB 1.156 70.082 68.868 0.095 0.000 0.962 90 T HN 0.674 nan 8.240 nan 0.000 0.438 91 D N 3.070 123.590 120.400 0.201 0.000 2.412 91 D HA 0.344 4.984 4.640 0.001 0.000 0.224 91 D C -0.499 175.787 176.300 -0.023 0.000 1.093 91 D CA -0.428 53.676 54.000 0.174 0.000 0.850 91 D CB 0.879 41.874 40.800 0.324 0.000 1.046 91 D HN 0.164 nan 8.370 nan 0.000 0.507 92 V N 6.044 125.864 119.914 -0.157 0.000 2.406 92 V HA 0.188 4.309 4.120 0.001 0.000 0.272 92 V C 1.260 177.262 176.094 -0.152 0.000 1.043 92 V CA -0.393 61.693 62.300 -0.356 0.000 0.915 92 V CB 1.478 32.783 31.823 -0.864 0.000 0.988 92 V HN 0.437 nan 8.190 nan 0.000 0.466 93 K N 3.206 123.508 120.400 -0.164 0.000 2.334 93 K HA 0.280 4.601 4.320 0.001 0.000 0.195 93 K C -0.051 176.501 176.600 -0.079 0.000 1.045 93 K CA 0.555 56.795 56.287 -0.079 0.000 1.004 93 K CB 0.964 33.435 32.500 -0.048 0.000 0.837 93 K HN 0.445 nan 8.250 nan 0.000 0.510 94 V N 1.889 121.723 119.914 -0.132 0.000 2.577 94 V HA 0.167 4.288 4.120 0.001 0.000 0.303 94 V C 0.473 176.519 176.094 -0.080 0.000 1.042 94 V CA -0.486 61.765 62.300 -0.082 0.000 0.872 94 V CB 1.826 33.595 31.823 -0.090 0.000 0.998 94 V HN 0.268 nan 8.190 nan 0.000 0.423 95 T N -1.295 113.282 114.554 0.039 0.000 3.044 95 T HA 0.323 4.674 4.350 0.001 0.000 0.260 95 T C -0.012 174.801 174.700 0.189 0.000 1.019 95 T CA -0.028 62.169 62.100 0.161 0.000 0.921 95 T CB 0.247 69.272 68.868 0.262 0.000 1.053 95 T HN 0.536 nan 8.240 nan 0.000 0.533 96 D N -0.875 119.604 120.400 0.131 0.000 2.615 96 D HA 0.588 5.229 4.640 0.001 0.000 0.267 96 D C 0.276 176.671 176.300 0.159 0.000 1.236 96 D CA 0.958 55.059 54.000 0.169 0.000 0.839 96 D CB 1.626 42.508 40.800 0.137 0.000 1.380 96 D HN 0.439 nan 8.370 nan 0.000 0.433 97 G N 0.403 109.314 108.800 0.185 0.000 2.548 97 G HA2 -0.167 3.793 3.960 0.001 0.000 0.208 97 G HA3 -0.167 3.793 3.960 0.001 0.000 0.208 97 G C 1.074 176.096 174.900 0.203 0.000 1.308 97 G CA 0.337 45.538 45.100 0.169 0.000 0.924 97 G HN 0.711 nan 8.290 nan 0.000 0.540 98 M N -1.827 117.839 119.600 0.110 0.000 2.476 98 M HA 0.296 4.776 4.480 0.001 0.000 0.262 98 M C 0.603 176.957 176.300 0.090 0.000 1.079 98 M CA 0.697 55.981 55.300 -0.028 0.000 1.104 98 M CB 0.120 32.481 32.600 -0.398 0.000 1.409 98 M HN 0.392 nan 8.290 nan 0.000 0.467 99 W N 1.481 122.870 121.300 0.148 0.000 2.655 99 W HA 0.479 5.140 4.660 0.001 0.000 0.358 99 W C -0.254 175.922 176.519 -0.572 0.000 1.100 99 W CA -0.735 56.520 57.345 -0.150 0.000 1.195 99 W CB 1.473 30.838 29.460 -0.158 0.000 1.403 99 W HN -0.116 nan 8.180 nan 0.000 0.589 100 K N 1.396 121.293 120.400 -0.838 0.000 3.253 100 K HA 0.166 4.486 4.320 0.001 0.000 0.174 100 K C -1.161 175.094 176.600 -0.576 0.000 1.071 100 K CA -0.188 55.628 56.287 -0.785 0.000 0.836 100 K CB -0.327 31.467 32.500 -1.177 0.000 0.922 100 K HN 0.193 nan 8.250 nan 0.000 0.565 101 D N 1.068 121.230 120.400 -0.397 0.000 2.581 101 D HA -0.040 4.600 4.640 0.001 0.000 0.238 101 D C 0.159 176.174 176.300 -0.474 0.000 1.145 101 D CA 0.843 54.598 54.000 -0.408 0.000 0.866 101 D CB 0.162 40.765 40.800 -0.328 0.000 1.151 101 D HN 0.514 nan 8.370 nan 0.000 0.500 102 C N 1.483 120.423 119.300 -0.600 0.000 3.332 102 C HA 0.669 5.130 4.460 0.001 0.000 0.329 102 C C -1.413 173.062 174.990 -0.859 0.000 1.434 102 C CA -0.932 57.727 59.018 -0.598 0.000 1.314 102 C CB 1.921 29.398 27.740 -0.438 0.000 1.664 102 C HN 0.646 nan 8.230 nan 0.000 0.457 103 H N 1.259 120.214 119.070 -0.191 0.000 2.877 103 H HA 0.501 5.058 4.556 0.001 0.000 0.347 103 H C -1.160 173.874 175.328 -0.491 0.000 1.042 103 H CA -0.296 55.554 56.048 -0.331 0.000 1.276 103 H CB 1.753 31.355 29.762 -0.268 0.000 1.681 103 H HN 0.662 nan 8.280 nan 0.000 0.521 104 N N 2.378 120.786 118.700 -0.487 0.000 2.473 104 N HA 0.306 5.046 4.740 0.001 0.000 0.291 104 N C -0.752 174.255 175.510 -0.838 0.000 1.083 104 N CA -0.146 52.614 53.050 -0.483 0.000 0.951 104 N CB 1.499 39.842 38.487 -0.241 0.000 1.164 104 N HN 0.447 nan 8.380 nan 0.000 0.480 105 Y N -0.172 119.872 120.300 -0.426 0.000 2.588 105 Y HA 0.507 5.057 4.550 0.001 0.000 0.343 105 Y C -0.549 175.125 175.900 -0.377 0.000 1.065 105 Y CA -1.150 56.663 58.100 -0.478 0.000 1.038 105 Y CB 1.566 39.519 38.460 -0.846 0.000 1.297 105 Y HN 0.274 nan 8.280 nan 0.000 0.467 106 L N 1.344 122.589 121.223 0.036 0.000 2.365 106 L HA 0.877 5.217 4.340 0.001 0.000 0.273 106 L C -0.574 176.459 176.870 0.272 0.000 1.000 106 L CA -0.053 54.869 54.840 0.137 0.000 0.819 106 L CB 2.023 44.105 42.059 0.037 0.000 1.284 106 L HN 0.719 nan 8.230 nan 0.000 0.418 107 T N 2.212 116.994 114.554 0.380 0.000 2.896 107 T HA 0.873 5.224 4.350 0.001 0.000 0.297 107 T C -0.777 174.222 174.700 0.498 0.000 1.108 107 T CA 0.285 62.631 62.100 0.410 0.000 1.004 107 T CB 1.372 70.510 68.868 0.449 0.000 1.159 107 T HN 1.001 nan 8.240 nan 0.000 0.499 108 T N -0.583 114.168 114.554 0.329 0.000 2.883 108 T HA 0.767 5.117 4.350 0.001 0.000 0.296 108 T C -0.872 173.585 174.700 -0.405 0.000 1.117 108 T CA -0.782 61.303 62.100 -0.025 0.000 1.006 108 T CB 1.334 69.941 68.868 -0.436 0.000 1.191 108 T HN 0.919 nan 8.240 nan 0.000 0.508 109 C N 0.844 119.656 119.300 -0.814 0.000 3.241 109 C HA 0.487 4.947 4.460 0.001 0.000 0.348 109 C C 1.139 175.820 174.990 -0.516 0.000 1.180 109 C CA -0.468 57.987 59.018 -0.938 0.000 1.273 109 C CB 1.433 27.954 27.740 -2.030 0.000 1.620 109 C HN 1.059 nan 8.230 nan 0.000 0.510 110 E N 1.363 121.362 120.200 -0.335 0.000 2.153 110 E HA -0.046 4.304 4.350 0.001 0.000 0.194 110 E C 0.832 177.457 176.600 0.041 0.000 0.988 110 E CA 1.420 57.745 56.400 -0.125 0.000 0.811 110 E CB 0.013 29.644 29.700 -0.114 0.000 0.746 110 E HN 0.827 nan 8.360 nan 0.000 0.466 111 S N -1.271 114.338 115.700 -0.152 0.000 2.588 111 S HA 0.291 4.762 4.470 0.001 0.000 0.275 111 S C 0.982 175.286 174.600 -0.492 0.000 1.130 111 S CA -0.315 57.773 58.200 -0.187 0.000 0.855 111 S CB 1.921 65.040 63.200 -0.136 0.000 1.116 111 S HN -0.086 nan 8.310 nan 0.000 0.472 112 V N -1.162 118.336 119.914 -0.693 0.000 2.490 112 V HA -0.040 4.081 4.120 0.001 0.000 0.250 112 V C 1.294 177.362 176.094 -0.043 0.000 1.061 112 V CA 1.990 64.011 62.300 -0.465 0.000 1.064 112 V CB -1.243 30.132 31.823 -0.746 0.000 0.670 112 V HN 0.961 nan 8.190 nan 0.000 0.461 113 D N 0.526 120.845 120.400 -0.136 0.000 2.342 113 D HA 0.267 4.907 4.640 0.001 0.000 0.221 113 D C 1.030 177.312 176.300 -0.031 0.000 1.101 113 D CA 0.515 54.486 54.000 -0.048 0.000 0.837 113 D CB -0.112 40.636 40.800 -0.087 0.000 0.938 113 D HN 0.535 nan 8.370 nan 0.000 0.508 114 G N -0.201 108.533 108.800 -0.110 0.000 2.508 114 G HA2 0.405 4.365 3.960 0.001 0.000 0.278 114 G HA3 0.405 4.365 3.960 0.001 0.000 0.278 114 G C -0.500 174.358 174.900 -0.070 0.000 1.389 114 G CA -0.641 44.369 45.100 -0.149 0.000 1.050 114 G HN 0.081 nan 8.290 nan 0.000 0.522 115 V N 0.543 120.397 119.914 -0.101 0.000 2.334 115 V HA 0.206 4.326 4.120 0.001 0.000 0.267 115 V C -0.645 175.428 176.094 -0.036 0.000 1.040 115 V CA -0.561 61.738 62.300 -0.001 0.000 0.866 115 V CB 0.274 32.093 31.823 -0.006 0.000 1.019 115 V HN 0.509 nan 8.190 nan 0.000 0.468 116 W N 3.234 124.501 121.300 -0.056 0.000 2.184 116 W HA 0.416 5.076 4.660 0.001 0.000 0.338 116 W C 1.152 177.654 176.519 -0.029 0.000 1.257 116 W CA -0.014 57.302 57.345 -0.049 0.000 1.243 116 W CB 0.743 30.168 29.460 -0.059 0.000 1.122 116 W HN 0.669 nan 8.180 nan 0.000 0.585 117 S N 1.386 117.191 115.700 0.174 0.000 2.593 117 S HA 0.108 4.578 4.470 0.001 0.000 0.269 117 S C -0.108 174.574 174.600 0.136 0.000 1.334 117 S CA -0.988 57.271 58.200 0.099 0.000 1.015 117 S CB 0.590 63.816 63.200 0.043 0.000 0.912 117 S HN 0.400 nan 8.310 nan 0.000 0.541 118 D N 3.123 123.579 120.400 0.093 0.000 2.506 118 D HA 0.181 4.822 4.640 0.001 0.000 0.234 118 D C -1.966 174.410 176.300 0.126 0.000 1.143 118 D CA -0.567 53.489 54.000 0.093 0.000 0.871 118 D CB 0.108 40.947 40.800 0.065 0.000 1.190 118 D HN 0.446 nan 8.370 nan 0.000 0.459 119 P HA 0.157 nan 4.420 nan 0.000 0.275 119 P C -0.328 177.081 177.300 0.182 0.000 1.227 119 P CA -0.449 62.758 63.100 0.179 0.000 0.781 119 P CB 0.873 32.646 31.700 0.121 0.000 0.906 120 I N 2.527 123.221 120.570 0.207 0.000 2.342 120 I HA 0.144 4.315 4.170 0.001 0.000 0.291 120 I C 0.958 177.195 176.117 0.201 0.000 1.010 120 I CA -0.167 61.252 61.300 0.200 0.000 1.308 120 I CB 0.387 38.521 38.000 0.224 0.000 1.400 120 I HN 0.213 nan 8.210 nan 0.000 0.488 121 T N 7.518 122.176 114.554 0.172 0.000 2.834 121 T HA 0.383 4.734 4.350 0.001 0.000 0.298 121 T C 1.108 175.808 174.700 0.001 0.000 0.966 121 T CA 0.016 62.161 62.100 0.075 0.000 1.141 121 T CB 0.774 69.685 68.868 0.071 0.000 0.905 121 T HN 0.331 nan 8.240 nan 0.000 0.535 122 L N 2.770 123.912 121.223 -0.135 0.000 2.638 122 L HA 0.497 4.837 4.340 0.001 0.000 0.205 122 L C 0.968 177.783 176.870 -0.091 0.000 1.696 122 L CA -0.868 53.923 54.840 -0.081 0.000 3.037 122 L CB 0.059 42.043 42.059 -0.125 0.000 2.844 122 L HN 0.595 nan 8.230 nan 0.000 0.836 123 N N -0.976 117.657 118.700 -0.110 0.000 3.002 123 N HA 0.393 5.134 4.740 0.001 0.000 0.331 123 N C -0.173 175.258 175.510 -0.132 0.000 1.384 123 N CA -0.099 52.902 53.050 -0.083 0.000 0.780 123 N CB 1.190 39.656 38.487 -0.034 0.000 1.492 123 N HN 0.378 nan 8.380 nan 0.000 0.608 124 G N -1.869 106.854 108.800 -0.128 0.000 4.213 124 G HA2 0.058 4.019 3.960 0.001 0.000 0.274 124 G HA3 0.058 4.019 3.960 0.001 0.000 0.274 124 G C 0.520 175.281 174.900 -0.232 0.000 1.033 124 G CA 0.328 45.303 45.100 -0.208 0.000 0.822 124 G HN 0.646 nan 8.290 nan 0.000 0.432 125 S N -0.381 115.199 115.700 -0.201 0.000 2.469 125 S HA 0.422 4.893 4.470 0.001 0.000 0.238 125 S C 1.180 175.568 174.600 -0.353 0.000 0.998 125 S CA 0.873 58.879 58.200 -0.324 0.000 0.957 125 S CB 0.268 63.296 63.200 -0.286 0.000 0.764 125 S HN 1.227 nan 8.310 nan 0.000 0.514 126 G N 0.001 108.644 108.800 -0.261 0.000 2.349 126 G HA2 0.468 4.429 3.960 0.001 0.000 0.294 126 G HA3 0.468 4.429 3.960 0.001 0.000 0.294 126 G C -0.722 174.022 174.900 -0.260 0.000 1.380 126 G CA -0.710 44.189 45.100 -0.335 0.000 0.811 126 G HN 0.298 nan 8.290 nan 0.000 0.519 127 F N -1.414 118.487 119.950 -0.081 0.000 2.272 127 F HA 0.732 5.260 4.527 0.001 0.000 0.316 127 F C 0.539 176.406 175.800 0.112 0.000 1.068 127 F CA -0.317 57.666 58.000 -0.030 0.000 1.114 127 F CB 0.124 39.085 39.000 -0.065 0.000 1.611 127 F HN 0.395 nan 8.300 nan 0.000 0.519 128 D N -0.548 120.139 120.400 0.479 0.000 2.723 128 D HA -0.125 4.516 4.640 0.001 0.000 0.236 128 D C -0.256 176.159 176.300 0.192 0.000 1.138 128 D CA 0.811 55.037 54.000 0.376 0.000 0.676 128 D CB -1.519 39.536 40.800 0.426 0.000 1.069 128 D HN 0.924 nan 8.370 nan 0.000 0.430 129 A N -0.026 122.891 122.820 0.161 0.000 2.388 129 A HA 0.607 4.927 4.320 0.001 0.000 0.257 129 A C 0.629 178.307 177.584 0.157 0.000 1.095 129 A CA 0.339 52.440 52.037 0.107 0.000 0.791 129 A CB 1.191 20.219 19.000 0.047 0.000 1.029 129 A HN 0.297 nan 8.150 nan 0.000 0.489 130 S N 0.915 116.701 115.700 0.143 0.000 2.546 130 S HA 0.518 4.988 4.470 0.001 0.000 0.272 130 S C -1.578 173.103 174.600 0.135 0.000 1.140 130 S CA -0.527 57.798 58.200 0.209 0.000 0.920 130 S CB 1.003 64.394 63.200 0.319 0.000 1.083 130 S HN 1.116 nan 8.310 nan 0.000 0.476 131 L N 5.269 126.553 121.223 0.100 0.000 2.265 131 L HA 0.695 5.035 4.340 0.001 0.000 0.289 131 L C -1.157 175.665 176.870 -0.080 0.000 1.033 131 L CA -0.426 54.378 54.840 -0.060 0.000 0.814 131 L CB 0.766 42.705 42.059 -0.200 0.000 1.203 131 L HN 0.680 nan 8.230 nan 0.000 0.423 132 F N 5.118 124.958 119.950 -0.183 0.000 2.404 132 F HA 0.448 4.976 4.527 0.001 0.000 0.354 132 F C -0.338 175.326 175.800 -0.226 0.000 1.122 132 F CA -0.380 57.558 58.000 -0.105 0.000 1.080 132 F CB 0.440 39.470 39.000 0.050 0.000 1.131 132 F HN 0.487 nan 8.300 nan 0.000 0.471 133 H N 4.991 123.548 119.070 -0.854 0.000 2.597 133 H HA 0.173 4.730 4.556 0.001 0.000 0.303 133 H C -0.533 174.099 175.328 -1.160 0.000 1.057 133 H CA -0.618 54.821 56.048 -1.015 0.000 1.261 133 H CB 1.037 29.915 29.762 -1.474 0.000 1.397 133 H HN 0.584 nan 8.280 nan 0.000 0.461 134 D N 1.049 121.008 120.400 -0.735 0.000 2.387 134 D HA -0.036 4.604 4.640 0.001 0.000 0.251 134 D C 1.201 177.513 176.300 0.019 0.000 1.141 134 D CA -0.449 53.377 54.000 -0.290 0.000 0.987 134 D CB 0.818 41.781 40.800 0.271 0.000 1.116 134 D HN 0.708 nan 8.370 nan 0.000 0.491 135 N N -0.289 118.525 118.700 0.190 0.000 2.521 135 N HA -0.112 4.629 4.740 0.001 0.000 0.188 135 N C -0.019 175.567 175.510 0.127 0.000 1.146 135 N CA 0.027 53.162 53.050 0.142 0.000 0.893 135 N CB 0.139 38.672 38.487 0.078 0.000 0.975 135 N HN 0.218 nan 8.380 nan 0.000 0.451 136 D N -0.932 119.559 120.400 0.151 0.000 2.368 136 D HA 0.160 4.800 4.640 0.001 0.000 0.218 136 D C 1.245 177.592 176.300 0.079 0.000 1.112 136 D CA 0.064 54.135 54.000 0.119 0.000 0.834 136 D CB -0.018 40.873 40.800 0.151 0.000 0.953 136 D HN 0.299 nan 8.370 nan 0.000 0.505 137 G N 0.325 109.164 108.800 0.064 0.000 2.179 137 G HA2 -0.311 3.649 3.960 0.001 0.000 0.260 137 G HA3 -0.311 3.649 3.960 0.001 0.000 0.260 137 G C 0.266 175.147 174.900 -0.032 0.000 0.977 137 G CA 0.206 45.323 45.100 0.029 0.000 0.641 137 G HN 0.445 nan 8.290 nan 0.000 0.533 138 K N 0.439 120.819 120.400 -0.033 0.000 2.154 138 K HA 0.563 4.883 4.320 0.001 0.000 0.264 138 K C 0.167 176.595 176.600 -0.286 0.000 1.008 138 K CA -0.022 56.164 56.287 -0.168 0.000 0.937 138 K CB 0.905 33.320 32.500 -0.141 0.000 1.002 138 K HN 0.198 nan 8.250 nan 0.000 0.469 139 K N 1.738 121.848 120.400 -0.483 0.000 2.375 139 K HA 0.414 4.735 4.320 0.001 0.000 0.249 139 K C -1.394 174.892 176.600 -0.524 0.000 0.942 139 K CA -0.767 55.264 56.287 -0.426 0.000 0.806 139 K CB 1.515 33.834 32.500 -0.303 0.000 1.227 139 K HN 0.393 nan 8.250 nan 0.000 0.430 140 Y N 0.855 121.144 120.300 -0.019 0.000 2.492 140 Y HA 0.374 4.925 4.550 0.001 0.000 0.346 140 Y C -0.823 175.113 175.900 0.060 0.000 0.997 140 Y CA -1.052 57.099 58.100 0.085 0.000 1.025 140 Y CB 1.534 40.096 38.460 0.170 0.000 1.263 140 Y HN 0.347 nan 8.280 nan 0.000 0.454 141 L N 4.678 126.027 121.223 0.209 0.000 2.289 141 L HA 0.772 5.113 4.340 0.001 0.000 0.285 141 L C -0.656 176.293 176.870 0.131 0.000 1.049 141 L CA -0.603 54.309 54.840 0.120 0.000 0.804 141 L CB 0.932 43.035 42.059 0.074 0.000 1.195 141 L HN 0.487 nan 8.230 nan 0.000 0.428 142 V N 3.254 123.228 119.914 0.100 0.000 2.715 142 V HA 0.781 4.901 4.120 0.001 0.000 0.310 142 V C -0.704 175.422 176.094 0.053 0.000 1.054 142 V CA -0.641 61.698 62.300 0.064 0.000 0.928 142 V CB 1.665 33.500 31.823 0.019 0.000 1.007 142 V HN 0.952 nan 8.190 nan 0.000 0.437 143 N N 2.566 121.294 118.700 0.046 0.000 2.934 143 N HA 0.493 5.233 4.740 0.001 0.000 0.253 143 N C -0.845 174.676 175.510 0.019 0.000 1.466 143 N CA -0.905 52.161 53.050 0.026 0.000 0.858 143 N CB 2.166 40.657 38.487 0.006 0.000 1.459 143 N HN 0.866 nan 8.380 nan 0.000 0.532 144 M N -0.612 118.955 119.600 -0.055 0.000 2.241 144 M HA 0.420 4.901 4.480 0.001 0.000 0.335 144 M C -1.061 175.207 176.300 -0.053 0.000 1.122 144 M CA -0.083 55.178 55.300 -0.065 0.000 1.164 144 M CB 0.189 32.673 32.600 -0.193 0.000 1.459 144 M HN 0.535 nan 8.290 nan 0.000 0.461 145 Y N 3.101 123.355 120.300 -0.076 0.000 2.331 145 Y HA 0.391 4.941 4.550 0.001 0.000 0.338 145 Y C -1.354 174.514 175.900 -0.054 0.000 0.976 145 Y CA -0.528 57.550 58.100 -0.037 0.000 1.137 145 Y CB 0.871 39.362 38.460 0.051 0.000 1.172 145 Y HN 0.822 nan 8.280 nan 0.000 0.478 146 W N 7.837 128.846 121.300 -0.485 0.000 2.322 146 W HA 0.221 4.882 4.660 0.001 0.000 0.307 146 W C -1.080 175.250 176.519 -0.314 0.000 1.220 146 W CA -0.327 56.778 57.345 -0.401 0.000 1.210 146 W CB 1.262 30.494 29.460 -0.379 0.000 1.223 146 W HN 0.582 nan 8.180 nan 0.000 0.511 147 D N 5.319 125.347 120.400 -0.619 0.000 2.414 147 D HA 0.002 4.642 4.640 0.001 0.000 0.232 147 D C 1.209 177.133 176.300 -0.627 0.000 1.070 147 D CA -0.121 53.607 54.000 -0.453 0.000 0.839 147 D CB 1.355 42.008 40.800 -0.244 0.000 1.079 147 D HN 0.444 nan 8.370 nan 0.000 0.521 148 Q N 3.746 123.341 119.800 -0.342 0.000 2.389 148 Q HA 0.005 4.346 4.340 0.001 0.000 0.204 148 Q C -0.028 175.687 176.000 -0.476 0.000 0.944 148 Q CA 0.230 55.811 55.803 -0.370 0.000 0.908 148 Q CB -0.029 28.313 28.738 -0.660 0.000 1.002 148 Q HN 0.391 nan 8.270 nan 0.000 0.493 149 R N 1.949 122.180 120.500 -0.448 0.000 2.538 149 R HA 0.003 4.343 4.340 0.001 0.000 0.282 149 R C 1.329 177.232 176.300 -0.662 0.000 1.009 149 R CA 0.851 56.593 56.100 -0.598 0.000 1.063 149 R CB 0.329 30.241 30.300 -0.647 0.000 0.945 149 R HN 0.340 nan 8.270 nan 0.000 0.414 150 T N -0.612 113.545 114.554 -0.662 0.000 3.035 150 T HA -0.144 4.207 4.350 0.001 0.000 0.268 150 T C 1.250 175.805 174.700 -0.242 0.000 1.109 150 T CA 0.898 62.782 62.100 -0.360 0.000 1.119 150 T CB -0.164 68.583 68.868 -0.201 0.000 0.900 150 T HN 0.750 nan 8.240 nan 0.000 0.503 151 Y N 0.139 120.409 120.300 -0.051 0.000 2.468 151 Y HA 0.553 5.103 4.550 0.001 0.000 0.268 151 Y C 0.044 175.928 175.900 -0.028 0.000 1.177 151 Y CA -2.045 56.036 58.100 -0.031 0.000 1.265 151 Y CB -0.678 37.768 38.460 -0.023 0.000 1.103 151 Y HN 0.024 nan 8.280 nan 0.000 0.522 152 N N 0.299 118.962 118.700 -0.062 0.000 2.384 152 N HA 0.109 4.849 4.740 0.001 0.000 0.301 152 N C -1.220 174.264 175.510 -0.044 0.000 1.133 152 N CA -0.954 52.097 53.050 0.002 0.000 0.853 152 N CB 0.605 39.075 38.487 -0.028 0.000 1.241 152 N HN 0.277 nan 8.380 nan 0.000 0.502 153 H N 0.261 119.269 119.070 -0.103 0.000 2.928 153 H HA 0.084 4.640 4.556 0.001 0.000 0.338 153 H C 0.601 175.814 175.328 -0.192 0.000 1.047 153 H CA 0.902 56.862 56.048 -0.147 0.000 1.435 153 H CB 0.430 30.093 29.762 -0.165 0.000 1.428 153 H HN 0.576 nan 8.280 nan 0.000 0.590 154 N N 2.782 121.046 118.700 -0.726 0.000 2.459 154 N HA -0.047 4.693 4.740 0.001 0.000 0.181 154 N C -0.661 174.255 175.510 -0.989 0.000 1.046 154 N CA 0.210 52.617 53.050 -1.072 0.000 0.904 154 N CB 0.202 37.629 38.487 -1.766 0.000 0.964 154 N HN 0.325 nan 8.380 nan 0.000 0.444 155 F N 0.298 119.788 119.950 -0.767 0.000 2.351 155 F HA 0.171 4.698 4.527 0.001 0.000 0.362 155 F C 0.521 176.295 175.800 -0.043 0.000 1.131 155 F CA -0.960 56.870 58.000 -0.284 0.000 1.187 155 F CB 0.023 38.949 39.000 -0.122 0.000 1.434 155 F HN 0.035 nan 8.300 nan 0.000 0.553 156 Y N 1.848 122.111 120.300 -0.062 0.000 2.561 156 Y HA 0.371 4.922 4.550 0.001 0.000 0.291 156 Y C 1.256 177.158 175.900 0.003 0.000 1.141 156 Y CA 0.731 58.826 58.100 -0.009 0.000 1.303 156 Y CB -0.113 38.382 38.460 0.059 0.000 1.015 156 Y HN 0.612 nan 8.280 nan 0.000 0.547 157 G N -0.084 108.781 108.800 0.109 0.000 2.298 157 G HA2 0.021 3.982 3.960 0.001 0.000 0.309 157 G HA3 0.021 3.982 3.960 0.001 0.000 0.309 157 G C -1.813 173.149 174.900 0.103 0.000 1.279 157 G CA -0.561 44.548 45.100 0.016 0.000 1.042 157 G HN -0.067 nan 8.290 nan 0.000 0.480 158 I N 0.799 121.415 120.570 0.077 0.000 2.378 158 I HA 0.612 4.782 4.170 0.001 0.000 0.291 158 I C 0.450 176.607 176.117 0.066 0.000 0.992 158 I CA -0.996 60.357 61.300 0.088 0.000 1.154 158 I CB 0.808 38.860 38.000 0.086 0.000 1.315 158 I HN 0.569 nan 8.210 nan 0.000 0.448 159 V N 7.868 127.835 119.914 0.088 0.000 2.532 159 V HA 0.601 4.721 4.120 0.001 0.000 0.295 159 V C -0.934 175.197 176.094 0.062 0.000 1.041 159 V CA -0.574 61.768 62.300 0.071 0.000 0.926 159 V CB 2.301 34.214 31.823 0.149 0.000 0.992 159 V HN 0.588 nan 8.190 nan 0.000 0.457 160 L N 5.558 126.811 121.223 0.051 0.000 2.386 160 L HA 0.688 5.028 4.340 0.001 0.000 0.271 160 L C -0.748 176.188 176.870 0.110 0.000 0.993 160 L CA 0.181 55.062 54.840 0.068 0.000 0.819 160 L CB 1.810 43.877 42.059 0.013 0.000 1.294 160 L HN 0.844 nan 8.230 nan 0.000 0.414 161 Q N 2.745 122.645 119.800 0.168 0.000 2.309 161 Q HA 0.301 4.642 4.340 0.001 0.000 0.273 161 Q C -1.404 174.727 176.000 0.219 0.000 1.040 161 Q CA -0.659 55.246 55.803 0.170 0.000 0.834 161 Q CB 1.969 30.779 28.738 0.119 0.000 1.345 161 Q HN 0.755 nan 8.270 nan 0.000 0.414 162 E N 2.200 122.500 120.200 0.166 0.000 2.384 162 E HA -0.011 4.340 4.350 0.001 0.000 0.266 162 E C -1.586 175.010 176.600 -0.008 0.000 1.012 162 E CA -0.014 56.366 56.400 -0.034 0.000 0.901 162 E CB 0.580 30.196 29.700 -0.139 0.000 0.967 162 E HN 0.467 nan 8.360 nan 0.000 0.435 163 Y N 3.293 123.481 120.300 -0.188 0.000 2.331 163 Y HA 0.243 4.794 4.550 0.001 0.000 0.338 163 Y C -0.589 175.229 175.900 -0.138 0.000 0.992 163 Y CA -0.694 57.333 58.100 -0.121 0.000 1.121 163 Y CB 1.576 39.976 38.460 -0.100 0.000 1.184 163 Y HN 0.371 nan 8.280 nan 0.000 0.469 164 S N 4.737 119.925 115.700 -0.853 0.000 2.404 164 S HA 0.100 4.570 4.470 0.001 0.000 0.309 164 S C 0.752 174.842 174.600 -0.851 0.000 1.076 164 S CA -0.517 57.292 58.200 -0.652 0.000 1.095 164 S CB 0.216 63.198 63.200 -0.364 0.000 0.972 164 S HN 0.959 nan 8.310 nan 0.000 0.484 165 D N 4.836 124.974 120.400 -0.436 0.000 2.144 165 D HA -0.115 4.525 4.640 0.001 0.000 0.199 165 D C 1.686 177.967 176.300 -0.031 0.000 0.984 165 D CA 1.623 55.603 54.000 -0.034 0.000 0.834 165 D CB 0.151 41.110 40.800 0.265 0.000 0.955 165 D HN 0.633 nan 8.370 nan 0.000 0.465 166 K N -0.183 120.174 120.400 -0.072 0.000 2.057 166 K HA -0.105 4.215 4.320 0.001 0.000 0.207 166 K C 1.947 178.515 176.600 -0.054 0.000 1.049 166 K CA 1.366 57.628 56.287 -0.041 0.000 0.931 166 K CB -0.023 32.451 32.500 -0.043 0.000 0.714 166 K HN 0.313 nan 8.250 nan 0.000 0.440 167 E N 0.329 120.462 120.200 -0.111 0.000 2.474 167 E HA -0.003 4.348 4.350 0.001 0.000 0.194 167 E C -0.409 176.151 176.600 -0.067 0.000 1.041 167 E CA -0.022 56.327 56.400 -0.085 0.000 0.874 167 E CB 0.459 30.101 29.700 -0.098 0.000 0.914 167 E HN 0.027 nan 8.360 nan 0.000 0.498 168 K N 0.988 121.330 120.400 -0.096 0.000 3.150 168 K HA -0.202 4.119 4.320 0.001 0.000 0.267 168 K C -0.570 176.077 176.600 0.078 0.000 1.028 168 K CA 1.158 57.472 56.287 0.044 0.000 0.753 168 K CB -2.115 30.452 32.500 0.113 0.000 1.288 168 K HN 0.505 nan 8.250 nan 0.000 0.473 169 K N -1.897 118.449 120.400 -0.091 0.000 2.642 169 K HA 0.442 4.763 4.320 0.001 0.000 0.290 169 K C -0.440 176.146 176.600 -0.024 0.000 1.006 169 K CA -1.203 55.122 56.287 0.063 0.000 0.869 169 K CB 0.899 33.416 32.500 0.028 0.000 1.499 169 K HN -0.064 nan 8.250 nan 0.000 0.403 170 L N 2.591 123.900 121.223 0.143 0.000 2.490 170 L HA 0.271 4.612 4.340 0.001 0.000 0.274 170 L C 0.356 177.232 176.870 0.011 0.000 1.201 170 L CA -0.156 54.747 54.840 0.106 0.000 0.869 170 L CB -0.143 41.990 42.059 0.123 0.000 1.123 170 L HN 0.605 nan 8.230 nan 0.000 0.484 171 I N -0.699 119.862 120.570 -0.015 0.000 3.145 171 I HA 0.967 5.138 4.170 0.001 0.000 0.313 171 I C 0.496 176.613 176.117 0.000 0.000 1.122 171 I CA -0.661 60.624 61.300 -0.025 0.000 0.987 171 I CB 1.849 39.809 38.000 -0.068 0.000 1.236 171 I HN 0.694 nan 8.210 nan 0.000 0.453 172 G N 2.413 111.214 108.800 0.002 0.000 2.697 172 G HA2 -0.184 3.777 3.960 0.001 0.000 0.240 172 G HA3 -0.184 3.777 3.960 0.001 0.000 0.240 172 G C -0.664 174.254 174.900 0.029 0.000 1.346 172 G CA -0.350 44.759 45.100 0.016 0.000 0.887 172 G HN 0.927 nan 8.290 nan 0.000 0.569 173 K N 0.353 120.773 120.400 0.034 0.000 2.143 173 K HA 0.629 4.949 4.320 0.001 0.000 0.272 173 K C 0.621 177.249 176.600 0.046 0.000 1.001 173 K CA 0.105 56.413 56.287 0.034 0.000 0.915 173 K CB 1.582 34.096 32.500 0.024 0.000 1.047 173 K HN 0.976 nan 8.250 nan 0.000 0.458 174 A N 3.159 126.006 122.820 0.045 0.000 2.354 174 A HA 0.328 4.649 4.320 0.001 0.000 0.269 174 A C -0.646 176.947 177.584 0.015 0.000 1.109 174 A CA -0.307 51.761 52.037 0.050 0.000 0.800 174 A CB 0.292 19.335 19.000 0.072 0.000 1.045 174 A HN 0.701 nan 8.150 nan 0.000 0.489 175 K N 1.927 122.332 120.400 0.009 0.000 2.464 175 K HA 0.461 4.782 4.320 0.001 0.000 0.253 175 K C -1.091 175.490 176.600 -0.032 0.000 0.933 175 K CA -0.720 55.556 56.287 -0.019 0.000 0.801 175 K CB 2.034 34.532 32.500 -0.004 0.000 1.271 175 K HN 0.512 nan 8.250 nan 0.000 0.430 176 I N 4.821 125.354 120.570 -0.062 0.000 2.436 176 I HA 0.037 4.208 4.170 0.001 0.000 0.289 176 I C 1.297 177.411 176.117 -0.004 0.000 1.083 176 I CA 0.301 61.574 61.300 -0.046 0.000 1.372 176 I CB 0.051 38.012 38.000 -0.065 0.000 1.408 176 I HN 0.738 nan 8.210 nan 0.000 0.516 177 I N 4.381 124.969 120.570 0.029 0.000 3.941 177 I HA 0.234 4.404 4.170 0.001 0.000 0.321 177 I C -0.177 176.047 176.117 0.179 0.000 1.284 177 I CA 0.191 61.544 61.300 0.088 0.000 1.226 177 I CB 0.396 38.444 38.000 0.079 0.000 1.045 177 I HN 0.394 nan 8.210 nan 0.000 0.420 178 Y N 1.443 121.701 120.300 -0.070 0.000 2.521 178 Y HA 0.417 4.968 4.550 0.001 0.000 0.328 178 Y C -0.419 175.422 175.900 -0.100 0.000 1.151 178 Y CA -1.509 56.535 58.100 -0.092 0.000 1.054 178 Y CB 1.504 39.840 38.460 -0.207 0.000 1.338 178 Y HN -0.177 nan 8.280 nan 0.000 0.453 179 K N 3.224 123.275 120.400 -0.580 0.000 2.374 179 K HA 0.453 4.773 4.320 0.001 0.000 0.202 179 K C 0.610 176.806 176.600 -0.674 0.000 1.040 179 K CA 0.604 56.585 56.287 -0.510 0.000 1.085 179 K CB 0.653 32.926 32.500 -0.378 0.000 0.873 179 K HN 1.029 nan 8.250 nan 0.000 0.539 180 G N 1.577 109.554 108.800 -1.372 0.000 2.728 180 G HA2 -0.280 3.680 3.960 0.001 0.000 0.294 180 G HA3 -0.280 3.680 3.960 0.001 0.000 0.294 180 G C 0.014 174.587 174.900 -0.544 0.000 1.342 180 G CA -0.204 44.351 45.100 -0.908 0.000 0.866 180 G HN 0.239 nan 8.290 nan 0.000 0.534 181 T N -3.144 111.210 114.554 -0.333 0.000 2.893 181 T HA 0.567 4.917 4.350 0.001 0.000 0.279 181 T C 1.359 175.936 174.700 -0.205 0.000 0.991 181 T CA 0.849 62.761 62.100 -0.312 0.000 0.950 181 T CB 1.433 70.035 68.868 -0.443 0.000 1.223 181 T HN 1.201 nan 8.240 nan 0.000 0.585 182 D N -0.286 120.030 120.400 -0.140 0.000 2.371 182 D HA -0.037 4.604 4.640 0.001 0.000 0.221 182 D C 1.628 177.863 176.300 -0.109 0.000 0.986 182 D CA 0.463 54.396 54.000 -0.112 0.000 0.899 182 D CB -0.701 40.061 40.800 -0.063 0.000 0.902 182 D HN 0.628 nan 8.370 nan 0.000 0.530 183 I N 0.125 120.660 120.570 -0.059 0.000 2.439 183 I HA -0.159 4.012 4.170 0.001 0.000 0.251 183 I C 1.035 177.088 176.117 -0.107 0.000 1.139 183 I CA 0.508 61.772 61.300 -0.060 0.000 1.438 183 I CB -0.301 37.711 38.000 0.020 0.000 1.085 183 I HN -0.053 nan 8.210 nan 0.000 0.427 184 K N -1.098 119.215 120.400 -0.146 0.000 1.595 184 K HA -0.344 3.976 4.320 0.001 0.000 0.597 184 K C -0.005 176.574 176.600 -0.034 0.000 1.876 184 K CA 0.945 57.104 56.287 -0.214 0.000 0.933 184 K CB -1.252 30.863 32.500 -0.642 0.000 1.604 184 K HN 0.072 nan 8.250 nan 0.000 0.626 185 Y N -0.702 119.577 120.300 -0.034 0.000 3.225 185 Y HA -0.224 4.327 4.550 0.001 0.000 0.211 185 Y C 0.262 176.061 175.900 -0.167 0.000 1.223 185 Y CA 1.278 59.060 58.100 -0.529 0.000 1.284 185 Y CB -2.328 35.856 38.460 -0.459 0.000 1.367 185 Y HN 0.400 nan 8.280 nan 0.000 0.566 186 T N 1.514 116.202 114.554 0.223 0.000 2.769 186 T HA 0.374 4.724 4.350 0.001 0.000 0.293 186 T C 0.504 175.445 174.700 0.402 0.000 0.931 186 T CA 0.373 62.620 62.100 0.247 0.000 1.139 186 T CB 0.731 69.670 68.868 0.118 0.000 0.881 186 T HN 0.585 nan 8.240 nan 0.000 0.532 187 E N 1.537 121.935 120.200 0.331 0.000 2.368 187 E HA 0.569 4.920 4.350 0.001 0.000 0.257 187 E C 0.370 177.057 176.600 0.144 0.000 1.022 187 E CA -1.160 55.447 56.400 0.345 0.000 0.886 187 E CB 0.286 30.369 29.700 0.637 0.000 1.740 187 E HN 0.539 nan 8.360 nan 0.000 0.456 188 G N 1.458 110.314 108.800 0.094 0.000 2.341 188 G HA2 -0.193 3.767 3.960 0.001 0.000 0.292 188 G HA3 -0.193 3.767 3.960 0.001 0.000 0.292 188 G C -2.129 172.527 174.900 -0.408 0.000 1.021 188 G CA 0.297 45.215 45.100 -0.303 0.000 0.905 188 G HN 0.426 nan 8.290 nan 0.000 0.508 189 P HA 0.213 nan 4.420 nan 0.000 0.268 189 P C -0.286 176.764 177.300 -0.416 0.000 1.204 189 P CA 0.519 63.489 63.100 -0.216 0.000 0.768 189 P CB 0.818 32.467 31.700 -0.085 0.000 0.842 190 H N 1.965 121.034 119.070 -0.000 0.000 2.806 190 H HA 0.474 5.031 4.556 0.001 0.000 0.367 190 H C -0.005 175.106 175.328 -0.361 0.000 1.136 190 H CA -0.646 55.297 56.048 -0.174 0.000 1.178 190 H CB 1.627 31.265 29.762 -0.208 0.000 1.718 190 H HN 0.315 nan 8.280 nan 0.000 0.540 191 I N 2.724 123.059 120.570 -0.391 0.000 2.412 191 I HA 0.262 4.432 4.170 0.001 0.000 0.296 191 I C -0.901 174.783 176.117 -0.721 0.000 0.987 191 I CA -0.694 60.290 61.300 -0.527 0.000 1.180 191 I CB 1.070 38.640 38.000 -0.717 0.000 1.340 191 I HN 0.364 nan 8.210 nan 0.000 0.455 192 Y N 3.367 123.735 120.300 0.114 0.000 2.373 192 Y HA 0.332 4.883 4.550 0.001 0.000 0.336 192 Y C -0.250 175.875 175.900 0.375 0.000 0.979 192 Y CA -0.742 57.549 58.100 0.319 0.000 1.080 192 Y CB 1.181 39.851 38.460 0.349 0.000 1.190 192 Y HN 0.481 nan 8.280 nan 0.000 0.446 193 H N 4.698 124.029 119.070 0.435 0.000 2.690 193 H HA 0.625 5.182 4.556 0.001 0.000 0.289 193 H C -1.186 174.278 175.328 0.225 0.000 1.089 193 H CA -0.460 55.659 56.048 0.117 0.000 1.299 193 H CB 0.343 30.157 29.762 0.088 0.000 1.405 193 H HN 0.639 nan 8.280 nan 0.000 0.463 194 I N 5.615 126.447 120.570 0.436 0.000 2.468 194 I HA 0.244 4.414 4.170 0.001 0.000 0.285 194 I C 0.996 177.220 176.117 0.179 0.000 1.039 194 I CA -0.321 61.146 61.300 0.278 0.000 1.074 194 I CB 1.704 39.847 38.000 0.238 0.000 1.228 194 I HN 0.978 nan 8.210 nan 0.000 0.436 195 G N 5.601 114.418 108.800 0.029 0.000 2.622 195 G HA2 -0.318 3.642 3.960 0.001 0.000 0.307 195 G HA3 -0.318 3.642 3.960 0.001 0.000 0.307 195 G C 0.500 175.383 174.900 -0.028 0.000 1.226 195 G CA 0.688 45.776 45.100 -0.020 0.000 0.997 195 G HN 0.622 nan 8.290 nan 0.000 0.551 196 D N 0.211 120.560 120.400 -0.085 0.000 2.363 196 D HA 0.208 4.849 4.640 0.001 0.000 0.220 196 D C 0.507 176.511 176.300 -0.493 0.000 0.994 196 D CA 1.010 54.816 54.000 -0.323 0.000 0.890 196 D CB 0.060 40.523 40.800 -0.561 0.000 0.906 196 D HN 0.372 nan 8.370 nan 0.000 0.530 197 Y N -1.118 119.101 120.300 -0.135 0.000 2.536 197 Y HA 0.341 4.891 4.550 0.001 0.000 0.347 197 Y C -0.428 175.258 175.900 -0.357 0.000 1.000 197 Y CA -1.262 56.631 58.100 -0.344 0.000 1.051 197 Y CB 1.002 38.987 38.460 -0.791 0.000 1.259 197 Y HN -0.244 nan 8.280 nan 0.000 0.468 198 Y N 1.385 121.601 120.300 -0.139 0.000 2.365 198 Y HA 0.253 4.803 4.550 0.001 0.000 0.340 198 Y C -0.884 174.980 175.900 -0.061 0.000 1.016 198 Y CA -0.434 57.608 58.100 -0.096 0.000 1.196 198 Y CB 0.137 38.480 38.460 -0.194 0.000 1.167 198 Y HN 0.412 nan 8.280 nan 0.000 0.509 199 Y N 3.909 124.441 120.300 0.387 0.000 2.335 199 Y HA 0.349 4.900 4.550 0.001 0.000 0.339 199 Y C -0.446 175.693 175.900 0.399 0.000 0.987 199 Y CA -0.932 57.429 58.100 0.436 0.000 1.140 199 Y CB 1.072 39.902 38.460 0.617 0.000 1.173 199 Y HN 0.422 nan 8.280 nan 0.000 0.486 200 L N 5.458 126.864 121.223 0.304 0.000 2.264 200 L HA 0.509 4.849 4.340 0.001 0.000 0.287 200 L C -1.520 175.426 176.870 0.126 0.000 1.039 200 L CA -0.607 54.225 54.840 -0.013 0.000 0.829 200 L CB -0.469 41.156 42.059 -0.723 0.000 1.211 200 L HN 0.319 nan 8.230 nan 0.000 0.427 201 F N 3.146 123.145 119.950 0.080 0.000 2.410 201 F HA 0.622 5.150 4.527 0.001 0.000 0.348 201 F C 0.845 176.648 175.800 0.006 0.000 1.106 201 F CA -0.210 57.867 58.000 0.127 0.000 1.163 201 F CB 1.490 40.690 39.000 0.334 0.000 1.129 201 F HN 0.584 nan 8.300 nan 0.000 0.516 202 T N 0.239 114.865 114.554 0.121 0.000 2.906 202 T HA 0.841 5.192 4.350 0.001 0.000 0.295 202 T C -0.593 174.147 174.700 0.068 0.000 1.061 202 T CA -1.106 61.042 62.100 0.080 0.000 1.000 202 T CB 1.665 70.620 68.868 0.145 0.000 1.103 202 T HN 0.716 nan 8.240 nan 0.000 0.486 203 A N 1.664 124.507 122.820 0.038 0.000 2.316 203 A HA 0.728 5.049 4.320 0.001 0.000 0.284 203 A C 0.063 177.742 177.584 0.159 0.000 1.115 203 A CA -0.542 51.540 52.037 0.075 0.000 0.812 203 A CB 0.279 19.364 19.000 0.141 0.000 1.064 203 A HN 0.896 nan 8.150 nan 0.000 0.489 204 E N -0.492 119.805 120.200 0.161 0.000 2.429 204 E HA 0.544 4.895 4.350 0.001 0.000 0.276 204 E C 0.440 177.167 176.600 0.212 0.000 0.953 204 E CA -0.319 56.186 56.400 0.174 0.000 0.787 204 E CB 1.904 31.670 29.700 0.110 0.000 1.307 204 E HN 1.390 nan 8.360 nan 0.000 0.458 205 G N 0.341 109.258 108.800 0.195 0.000 2.241 205 G HA2 -0.121 3.840 3.960 0.001 0.000 0.244 205 G HA3 -0.121 3.840 3.960 0.001 0.000 0.244 205 G C 0.542 175.410 174.900 -0.055 0.000 0.998 205 G CA 0.067 45.251 45.100 0.139 0.000 0.621 205 G HN 1.384 nan 8.290 nan 0.000 0.519 206 G N -1.976 106.739 108.800 -0.142 0.000 2.690 206 G HA2 0.300 4.261 3.960 0.001 0.000 0.686 206 G HA3 0.300 4.261 3.960 0.001 0.000 0.686 206 G C 0.192 174.870 174.900 -0.370 0.000 1.277 206 G CA 0.769 45.572 45.100 -0.495 0.000 0.799 206 G HN 1.680 nan 8.290 nan 0.000 0.613 207 T N 0.783 115.049 114.554 -0.480 0.000 3.406 207 T HA 0.494 4.844 4.350 0.001 0.000 0.244 207 T C 1.473 175.974 174.700 -0.332 0.000 0.949 207 T CA 1.549 63.162 62.100 -0.811 0.000 0.926 207 T CB -1.281 67.217 68.868 -0.617 0.000 1.089 207 T HN 1.436 nan 8.240 nan 0.000 0.604 208 T N -1.974 112.467 114.554 -0.188 0.000 2.849 208 T HA 0.332 4.682 4.350 0.001 0.000 0.272 208 T C 0.871 175.475 174.700 -0.161 0.000 1.046 208 T CA -0.589 61.434 62.100 -0.129 0.000 0.983 208 T CB 0.082 68.950 68.868 -0.002 0.000 1.721 208 T HN 0.103 nan 8.240 nan 0.000 0.594 209 Y N 0.727 121.108 120.300 0.135 0.000 2.569 209 Y HA 0.100 4.650 4.550 0.001 0.000 0.293 209 Y C 2.398 178.501 175.900 0.339 0.000 1.144 209 Y CA 0.825 59.048 58.100 0.205 0.000 1.321 209 Y CB -0.685 37.874 38.460 0.165 0.000 0.982 209 Y HN 0.654 nan 8.280 nan 0.000 0.558 210 E N -1.252 119.150 120.200 0.336 0.000 2.489 210 E HA -0.052 4.299 4.350 0.001 0.000 0.193 210 E C 0.137 176.849 176.600 0.188 0.000 1.057 210 E CA -0.128 56.387 56.400 0.192 0.000 0.866 210 E CB -0.117 29.576 29.700 -0.012 0.000 0.916 210 E HN 0.517 nan 8.360 nan 0.000 0.500 211 H N 0.795 119.925 119.070 0.100 0.000 2.948 211 H HA 0.056 4.613 4.556 0.001 0.000 0.351 211 H C 0.022 175.418 175.328 0.113 0.000 1.079 211 H CA 0.268 56.366 56.048 0.084 0.000 1.407 211 H CB 0.571 30.383 29.762 0.083 0.000 1.373 211 H HN 0.092 nan 8.280 nan 0.000 0.605 212 S N 2.720 118.443 115.700 0.039 0.000 2.615 212 S HA 0.320 4.791 4.470 0.001 0.000 0.269 212 S C -1.271 173.266 174.600 -0.105 0.000 1.161 212 S CA -1.212 56.976 58.200 -0.021 0.000 0.817 212 S CB 2.615 65.853 63.200 0.064 0.000 1.131 212 S HN 0.680 nan 8.310 nan 0.000 0.467 213 E N -0.184 119.978 120.200 -0.064 0.000 2.222 213 E HA 0.746 5.097 4.350 0.001 0.000 0.267 213 E C -1.278 175.304 176.600 -0.031 0.000 0.884 213 E CA -0.226 56.155 56.400 -0.031 0.000 0.764 213 E CB 2.219 31.919 29.700 -0.000 0.000 1.169 213 E HN 0.711 nan 8.360 nan 0.000 0.413 214 T N 2.080 116.618 114.554 -0.027 0.000 2.907 214 T HA 0.602 4.953 4.350 0.001 0.000 0.292 214 T C -1.135 173.457 174.700 -0.180 0.000 1.043 214 T CA -0.596 61.465 62.100 -0.066 0.000 1.003 214 T CB 1.368 70.248 68.868 0.020 0.000 1.084 214 T HN 0.257 nan 8.240 nan 0.000 0.483 215 V N 1.615 121.382 119.914 -0.245 0.000 2.604 215 V HA 0.884 5.004 4.120 0.001 0.000 0.305 215 V C -0.105 175.981 176.094 -0.014 0.000 1.043 215 V CA -0.769 61.364 62.300 -0.279 0.000 0.888 215 V CB 1.489 33.060 31.823 -0.420 0.000 0.995 215 V HN 1.100 nan 8.190 nan 0.000 0.429 216 A N 4.981 127.813 122.820 0.019 0.000 2.430 216 A HA 1.043 5.363 4.320 0.001 0.000 0.300 216 A C -0.520 177.237 177.584 0.289 0.000 1.124 216 A CA -0.875 51.243 52.037 0.136 0.000 0.766 216 A CB 1.931 20.761 19.000 -0.284 0.000 1.328 216 A HN 0.976 nan 8.150 nan 0.000 0.424 217 R N -0.279 120.372 120.500 0.252 0.000 2.740 217 R HA 0.833 5.174 4.340 0.001 0.000 0.273 217 R C -1.274 174.930 176.300 -0.161 0.000 0.998 217 R CA -0.357 55.701 56.100 -0.071 0.000 0.900 217 R CB 1.758 31.582 30.300 -0.794 0.000 1.223 217 R HN 0.781 nan 8.270 nan 0.000 0.466 218 S N 0.099 115.626 115.700 -0.288 0.000 2.541 218 S HA 0.306 4.776 4.470 0.001 0.000 0.271 218 S C -0.124 174.403 174.600 -0.122 0.000 1.133 218 S CA -0.849 57.112 58.200 -0.398 0.000 0.876 218 S CB 2.068 64.590 63.200 -1.130 0.000 1.105 218 S HN 0.776 nan 8.310 nan 0.000 0.470 219 K N 1.333 121.653 120.400 -0.133 0.000 2.366 219 K HA 0.060 4.381 4.320 0.001 0.000 0.198 219 K C 0.510 177.097 176.600 -0.022 0.000 1.044 219 K CA 0.552 56.754 56.287 -0.142 0.000 0.973 219 K CB -0.052 32.315 32.500 -0.220 0.000 0.767 219 K HN 0.707 nan 8.250 nan 0.000 0.475 220 N N 0.037 118.653 118.700 -0.141 0.000 2.292 220 N HA 0.063 4.804 4.740 0.001 0.000 0.303 220 N C 0.426 175.591 175.510 -0.574 0.000 1.140 220 N CA -0.404 52.506 53.050 -0.232 0.000 0.788 220 N CB 1.699 40.073 38.487 -0.188 0.000 1.361 220 N HN -0.158 nan 8.380 nan 0.000 0.489 221 I N 0.058 120.061 120.570 -0.945 0.000 2.454 221 I HA -0.220 3.951 4.170 0.001 0.000 0.254 221 I C 0.371 176.210 176.117 -0.464 0.000 1.156 221 I CA 1.372 61.998 61.300 -1.123 0.000 1.433 221 I CB 0.105 37.328 38.000 -1.295 0.000 1.082 221 I HN 0.441 nan 8.210 nan 0.000 0.432 222 D N 1.225 121.426 120.400 -0.332 0.000 2.355 222 D HA 0.166 4.807 4.640 0.001 0.000 0.218 222 D C 1.032 177.292 176.300 -0.066 0.000 1.004 222 D CA 1.006 54.921 54.000 -0.143 0.000 0.880 222 D CB 0.095 40.822 40.800 -0.121 0.000 0.911 222 D HN 0.568 nan 8.370 nan 0.000 0.528 223 G N 1.167 109.817 108.800 -0.249 0.000 2.681 223 G HA2 -0.204 3.757 3.960 0.001 0.000 0.220 223 G HA3 -0.204 3.757 3.960 0.001 0.000 0.220 223 G C -2.432 172.359 174.900 -0.182 0.000 1.353 223 G CA -0.661 44.252 45.100 -0.312 0.000 0.872 223 G HN 0.063 nan 8.290 nan 0.000 0.557 224 P HA 0.420 nan 4.420 nan 0.000 0.274 224 P C -1.032 176.206 177.300 -0.104 0.000 1.231 224 P CA 0.010 63.100 63.100 -0.017 0.000 0.790 224 P CB 0.411 32.121 31.700 0.017 0.000 0.951 225 Y N 0.329 120.640 120.300 0.019 0.000 2.320 225 Y HA 0.180 4.731 4.550 0.001 0.000 0.334 225 Y C 1.300 177.233 175.900 0.056 0.000 1.055 225 Y CA -0.197 57.897 58.100 -0.011 0.000 1.143 225 Y CB 0.989 39.361 38.460 -0.147 0.000 1.193 225 Y HN 0.392 nan 8.280 nan 0.000 0.477 226 E N 3.129 123.434 120.200 0.175 0.000 2.249 226 E HA 0.481 4.832 4.350 0.001 0.000 0.280 226 E C -1.029 175.747 176.600 0.292 0.000 1.016 226 E CA -0.575 55.951 56.400 0.209 0.000 0.830 226 E CB 1.427 31.246 29.700 0.198 0.000 1.081 226 E HN 0.511 nan 8.360 nan 0.000 0.395 227 I N 2.178 122.846 120.570 0.164 0.000 2.472 227 I HA 0.022 4.193 4.170 0.001 0.000 0.290 227 I C 0.507 176.499 176.117 -0.209 0.000 1.016 227 I CA -0.638 60.669 61.300 0.011 0.000 1.348 227 I CB 0.775 38.707 38.000 -0.114 0.000 1.417 227 I HN 0.635 nan 8.210 nan 0.000 0.521 228 D N 8.976 129.015 120.400 -0.601 0.000 2.472 228 D HA -0.001 4.639 4.640 0.001 0.000 0.248 228 D C -1.395 174.564 176.300 -0.568 0.000 1.174 228 D CA -1.624 51.570 54.000 -1.343 0.000 0.883 228 D CB 1.171 41.283 40.800 -1.146 0.000 1.149 228 D HN 0.243 nan 8.370 nan 0.000 0.488 229 P HA -0.137 nan 4.420 nan 0.000 0.220 229 P C 0.380 177.591 177.300 -0.149 0.000 1.144 229 P CA 0.951 63.945 63.100 -0.176 0.000 0.800 229 P CB 0.391 32.008 31.700 -0.138 0.000 0.772 230 E N -0.512 119.521 120.200 -0.279 0.000 2.419 230 E HA 0.031 4.381 4.350 0.001 0.000 0.190 230 E C 0.479 176.947 176.600 -0.219 0.000 1.040 230 E CA -0.619 55.637 56.400 -0.240 0.000 0.900 230 E CB -0.814 28.736 29.700 -0.249 0.000 1.054 230 E HN 0.468 nan 8.360 nan 0.000 0.462 231 Y N 0.650 120.788 120.300 -0.270 0.000 2.550 231 Y HA 0.316 4.866 4.550 0.001 0.000 0.343 231 Y C -2.266 173.548 175.900 -0.143 0.000 1.245 231 Y CA -2.411 55.563 58.100 -0.210 0.000 1.462 231 Y CB -0.520 37.829 38.460 -0.185 0.000 1.340 231 Y HN -0.185 nan 8.280 nan 0.000 0.604 232 P HA 0.042 nan 4.420 nan 0.000 0.274 232 P C 0.473 177.730 177.300 -0.071 0.000 1.237 232 P CA -0.509 62.599 63.100 0.015 0.000 0.793 232 P CB 0.959 32.677 31.700 0.030 0.000 0.977 233 L N 1.708 122.875 121.223 -0.092 0.000 2.046 233 L HA 0.051 4.392 4.340 0.001 0.000 0.208 233 L C 0.409 177.221 176.870 -0.098 0.000 1.077 233 L CA 1.996 56.755 54.840 -0.135 0.000 0.747 233 L CB -0.425 41.519 42.059 -0.192 0.000 0.896 233 L HN 0.301 nan 8.230 nan 0.000 0.432 234 L N -1.061 120.119 121.223 -0.072 0.000 2.493 234 L HA 0.624 4.965 4.340 0.001 0.000 0.265 234 L C -1.009 175.846 176.870 -0.025 0.000 0.954 234 L CA 0.331 55.122 54.840 -0.081 0.000 0.844 234 L CB 1.912 43.877 42.059 -0.157 0.000 1.302 234 L HN 0.020 nan 8.230 nan 0.000 0.405 235 T N 1.550 116.128 114.554 0.039 0.000 3.230 235 T HA 0.256 4.606 4.350 0.001 0.000 0.390 235 T C -0.789 173.997 174.700 0.143 0.000 1.761 235 T CA 0.146 62.319 62.100 0.123 0.000 1.129 235 T CB 1.242 70.237 68.868 0.212 0.000 1.583 235 T HN 0.597 nan 8.240 nan 0.000 0.480 236 S N 2.124 117.881 115.700 0.095 0.000 2.663 236 S HA 0.163 4.634 4.470 0.001 0.000 0.243 236 S C 1.101 175.646 174.600 -0.093 0.000 1.009 236 S CA 0.081 58.225 58.200 -0.093 0.000 0.988 236 S CB -0.331 62.856 63.200 -0.022 0.000 0.896 236 S HN 0.681 nan 8.310 nan 0.000 0.502 237 W N 3.274 124.572 121.300 -0.003 0.000 2.321 237 W HA -0.232 4.429 4.660 0.001 0.000 0.306 237 W C 1.982 178.503 176.519 0.004 0.000 1.217 237 W CA 2.408 59.792 57.345 0.066 0.000 1.257 237 W CB -0.574 28.965 29.460 0.132 0.000 1.145 237 W HN 0.670 nan 8.180 nan 0.000 0.509 238 H N -1.822 117.116 119.070 -0.219 0.000 2.556 238 H HA 0.060 4.617 4.556 0.001 0.000 0.268 238 H C -0.373 174.745 175.328 -0.350 0.000 0.996 238 H CA 1.092 56.832 56.048 -0.512 0.000 1.157 238 H CB -0.498 29.181 29.762 -0.138 0.000 1.355 238 H HN 0.082 nan 8.280 nan 0.000 0.597 239 D N 1.987 122.003 120.400 -0.641 0.000 2.408 239 D HA 0.152 4.792 4.640 0.001 0.000 0.261 239 D C -1.996 174.140 176.300 -0.273 0.000 1.190 239 D CA -2.318 51.444 54.000 -0.396 0.000 0.910 239 D CB 1.697 42.262 40.800 -0.391 0.000 1.097 239 D HN 0.056 nan 8.370 nan 0.000 0.522 240 P HA 0.045 nan 4.420 nan 0.000 0.245 240 P C 0.774 178.000 177.300 -0.124 0.000 1.212 240 P CA 0.191 63.173 63.100 -0.196 0.000 0.774 240 P CB 0.481 32.045 31.700 -0.228 0.000 0.999 241 R N -1.135 119.303 120.500 -0.103 0.000 2.312 241 R HA 0.120 4.460 4.340 0.001 0.000 0.205 241 R C 0.712 176.995 176.300 -0.028 0.000 0.904 241 R CA -0.307 55.758 56.100 -0.058 0.000 1.052 241 R CB -0.361 29.907 30.300 -0.053 0.000 1.014 241 R HN 0.113 nan 8.270 nan 0.000 0.503 242 N N 0.540 119.219 118.700 -0.035 0.000 2.454 242 N HA -0.036 4.704 4.740 0.001 0.000 0.254 242 N C 0.583 176.118 175.510 0.041 0.000 1.228 242 N CA 0.317 53.365 53.050 -0.003 0.000 0.900 242 N CB 0.995 39.470 38.487 -0.020 0.000 1.089 242 N HN -0.138 nan 8.380 nan 0.000 0.449 243 S N 1.567 117.302 115.700 0.058 0.000 2.399 243 S HA -0.015 4.456 4.470 0.001 0.000 0.231 243 S C 0.540 175.209 174.600 0.115 0.000 1.022 243 S CA 0.714 58.967 58.200 0.088 0.000 0.983 243 S CB -0.140 63.111 63.200 0.084 0.000 0.803 243 S HN 0.453 nan 8.310 nan 0.000 0.480 244 L N 2.334 123.623 121.223 0.111 0.000 2.272 244 L HA 0.428 4.768 4.340 0.001 0.000 0.289 244 L C 0.001 176.962 176.870 0.152 0.000 1.032 244 L CA -0.529 54.396 54.840 0.141 0.000 0.810 244 L CB 1.012 43.166 42.059 0.160 0.000 1.205 244 L HN 0.115 nan 8.230 nan 0.000 0.422 245 Q N 2.258 122.170 119.800 0.187 0.000 2.495 245 Q HA 0.382 4.723 4.340 0.001 0.000 0.283 245 Q C -0.380 175.733 176.000 0.190 0.000 1.097 245 Q CA -0.890 55.047 55.803 0.223 0.000 0.836 245 Q CB 1.961 30.920 28.738 0.368 0.000 1.426 245 Q HN 0.408 nan 8.270 nan 0.000 0.459 246 K N -0.837 119.672 120.400 0.181 0.000 3.096 246 K HA -0.157 4.163 4.320 0.001 0.000 0.266 246 K C -0.823 175.969 176.600 0.320 0.000 1.043 246 K CA 0.232 56.630 56.287 0.184 0.000 0.758 246 K CB -2.447 30.061 32.500 0.013 0.000 1.260 246 K HN 0.543 nan 8.250 nan 0.000 0.481 247 C N 1.223 120.655 119.300 0.221 0.000 2.540 247 C HA 0.563 5.023 4.460 0.001 0.000 0.377 247 C C 1.352 176.296 174.990 -0.077 0.000 1.274 247 C CA 0.281 59.386 59.018 0.144 0.000 1.718 247 C CB -0.369 27.377 27.740 0.009 0.000 2.391 247 C HN 0.716 nan 8.230 nan 0.000 0.565 248 G N 0.707 109.418 108.800 -0.149 0.000 2.428 248 G HA2 0.483 4.443 3.960 0.001 0.000 0.304 248 G HA3 0.483 4.443 3.960 0.001 0.000 0.304 248 G C -0.681 174.162 174.900 -0.094 0.000 1.303 248 G CA -0.599 44.166 45.100 -0.559 0.000 0.825 248 G HN 0.762 nan 8.290 nan 0.000 0.484 249 H N -1.191 117.812 119.070 -0.112 0.000 2.765 249 H HA 0.048 4.605 4.556 0.001 0.000 0.332 249 H C 0.430 175.914 175.328 0.259 0.000 1.180 249 H CA 1.093 57.257 56.048 0.194 0.000 1.142 249 H CB -1.049 28.903 29.762 0.317 0.000 1.576 249 H HN 1.374 nan 8.280 nan 0.000 0.420 250 A N 1.710 124.707 122.820 0.296 0.000 2.269 250 A HA 0.828 5.149 4.320 0.001 0.000 0.327 250 A C 0.086 177.928 177.584 0.429 0.000 1.112 250 A CA 0.132 52.391 52.037 0.370 0.000 0.865 250 A CB 1.352 20.560 19.000 0.347 0.000 1.227 250 A HN 0.943 nan 8.150 nan 0.000 0.498 251 S N -0.558 115.333 115.700 0.319 0.000 2.537 251 S HA 0.626 5.096 4.470 0.001 0.000 0.270 251 S C -1.302 173.347 174.600 0.083 0.000 1.142 251 S CA -0.590 57.739 58.200 0.216 0.000 0.870 251 S CB 1.065 64.323 63.200 0.097 0.000 1.112 251 S HN 1.319 nan 8.310 nan 0.000 0.466 252 L N 2.132 123.276 121.223 -0.133 0.000 2.325 252 L HA 0.895 5.235 4.340 0.001 0.000 0.278 252 L C -0.891 175.953 176.870 -0.043 0.000 1.023 252 L CA -0.608 54.072 54.840 -0.267 0.000 0.811 252 L CB 1.734 43.213 42.059 -0.967 0.000 1.249 252 L HN 0.818 nan 8.230 nan 0.000 0.431 253 V N 4.706 124.712 119.914 0.153 0.000 2.735 253 V HA 0.442 4.563 4.120 0.001 0.000 0.310 253 V C -1.159 175.069 176.094 0.222 0.000 1.061 253 V CA -0.487 61.954 62.300 0.235 0.000 0.913 253 V CB 1.820 33.824 31.823 0.302 0.000 1.005 253 V HN 0.915 nan 8.190 nan 0.000 0.428 254 H N 4.227 123.267 119.070 -0.049 0.000 2.581 254 H HA 0.488 5.044 4.556 0.001 0.000 0.308 254 H C 0.175 175.405 175.328 -0.163 0.000 1.040 254 H CA -0.216 55.529 56.048 -0.505 0.000 1.231 254 H CB 1.218 30.513 29.762 -0.778 0.000 1.396 254 H HN 0.894 nan 8.280 nan 0.000 0.467 255 T N 1.226 115.739 114.554 -0.069 0.000 2.828 255 T HA -0.070 4.280 4.350 0.001 0.000 0.290 255 T C 1.640 176.255 174.700 -0.141 0.000 1.019 255 T CA -0.577 61.540 62.100 0.028 0.000 1.031 255 T CB 0.779 69.608 68.868 -0.066 0.000 1.001 255 T HN 0.829 nan 8.240 nan 0.000 0.531 256 H N -0.021 119.054 119.070 0.009 0.000 2.545 256 H HA -0.023 4.534 4.556 0.001 0.000 0.282 256 H C 1.262 176.547 175.328 -0.072 0.000 1.020 256 H CA 1.321 57.324 56.048 -0.076 0.000 1.243 256 H CB -0.962 28.786 29.762 -0.024 0.000 1.377 256 H HN 0.772 nan 8.280 nan 0.000 0.581 257 T N -2.109 112.174 114.554 -0.450 0.000 3.163 257 T HA 0.057 4.408 4.350 0.001 0.000 0.252 257 T C 0.208 174.829 174.700 -0.132 0.000 1.056 257 T CA 0.235 62.160 62.100 -0.293 0.000 0.947 257 T CB -0.398 68.283 68.868 -0.312 0.000 1.016 257 T HN 0.280 nan 8.240 nan 0.000 0.554 258 D N 0.969 121.273 120.400 -0.160 0.000 2.699 258 D HA -0.149 4.492 4.640 0.001 0.000 0.239 258 D C -0.402 175.915 176.300 0.028 0.000 1.136 258 D CA 0.837 54.814 54.000 -0.038 0.000 0.668 258 D CB -1.274 39.561 40.800 0.059 0.000 1.060 258 D HN 0.809 nan 8.370 nan 0.000 0.429 259 E N -0.979 119.200 120.200 -0.034 0.000 2.378 259 E HA 0.697 5.048 4.350 0.001 0.000 0.265 259 E C -0.579 175.994 176.600 -0.044 0.000 0.932 259 E CA -0.916 55.527 56.400 0.072 0.000 0.795 259 E CB 1.088 30.920 29.700 0.221 0.000 1.296 259 E HN 0.142 nan 8.360 nan 0.000 0.438 260 W N 0.828 122.212 121.300 0.139 0.000 2.619 260 W HA 0.440 5.101 4.660 0.001 0.000 0.327 260 W C -1.180 175.210 176.519 -0.215 0.000 1.027 260 W CA -0.382 57.019 57.345 0.094 0.000 1.233 260 W CB 0.985 30.509 29.460 0.106 0.000 1.370 260 W HN 0.403 nan 8.180 nan 0.000 0.453 261 Y N 2.370 122.817 120.300 0.246 0.000 2.576 261 Y HA 0.691 5.241 4.550 0.001 0.000 0.346 261 Y C -0.833 175.159 175.900 0.153 0.000 1.018 261 Y CA -1.405 56.790 58.100 0.159 0.000 1.050 261 Y CB 2.101 40.617 38.460 0.095 0.000 1.280 261 Y HN 0.190 nan 8.280 nan 0.000 0.474 262 L N 2.314 123.707 121.223 0.283 0.000 2.406 262 L HA 0.841 5.181 4.340 0.001 0.000 0.270 262 L C -0.675 176.363 176.870 0.279 0.000 0.982 262 L CA -0.412 54.571 54.840 0.238 0.000 0.843 262 L CB 0.899 43.081 42.059 0.204 0.000 1.225 262 L HN 0.711 nan 8.230 nan 0.000 0.412 263 A N 3.573 126.525 122.820 0.220 0.000 2.354 263 A HA 0.668 4.988 4.320 0.001 0.000 0.269 263 A C -0.796 176.924 177.584 0.226 0.000 1.109 263 A CA 0.201 52.319 52.037 0.135 0.000 0.800 263 A CB -0.011 19.027 19.000 0.063 0.000 1.045 263 A HN 1.003 nan 8.150 nan 0.000 0.489 264 H N -0.975 118.148 119.070 0.089 0.000 3.042 264 H HA 0.571 5.127 4.556 0.001 0.000 0.346 264 H C -0.926 174.458 175.328 0.093 0.000 1.294 264 H CA -1.034 55.085 56.048 0.119 0.000 1.141 264 H CB 0.158 29.985 29.762 0.109 0.000 1.872 264 H HN 0.755 nan 8.280 nan 0.000 0.541 265 L N 1.049 122.395 121.223 0.206 0.000 2.439 265 L HA 0.823 5.164 4.340 0.001 0.000 0.259 265 L C -0.199 176.797 176.870 0.211 0.000 1.129 265 L CA -0.731 54.184 54.840 0.126 0.000 0.803 265 L CB 1.120 43.283 42.059 0.173 0.000 1.161 265 L HN 0.872 nan 8.230 nan 0.000 0.462 266 V N -2.738 117.250 119.914 0.124 0.000 3.206 266 V HA 1.025 5.145 4.120 0.001 0.000 0.305 266 V C -0.176 175.991 176.094 0.122 0.000 1.257 266 V CA -0.054 62.343 62.300 0.162 0.000 1.057 266 V CB 1.190 33.092 31.823 0.132 0.000 1.075 266 V HN 1.205 nan 8.190 nan 0.000 0.443 267 G N 0.481 109.356 108.800 0.126 0.000 2.495 267 G HA2 0.719 4.680 3.960 0.001 0.000 0.318 267 G HA3 0.719 4.680 3.960 0.001 0.000 0.318 267 G C -1.028 173.985 174.900 0.187 0.000 1.257 267 G CA -1.097 44.082 45.100 0.132 0.000 0.962 267 G HN 0.795 nan 8.290 nan 0.000 0.483 268 R N 2.585 123.222 120.500 0.229 0.000 2.312 268 R HA 0.292 4.633 4.340 0.001 0.000 0.310 268 R C -2.508 174.042 176.300 0.416 0.000 1.064 268 R CA -1.495 54.782 56.100 0.295 0.000 0.983 268 R CB 1.949 32.404 30.300 0.257 0.000 1.139 268 R HN 0.367 nan 8.270 nan 0.000 0.536 269 P HA -0.011 nan 4.420 nan 0.000 0.269 269 P C 0.093 177.479 177.300 0.143 0.000 1.209 269 P CA -0.092 63.167 63.100 0.264 0.000 0.776 269 P CB 0.756 32.579 31.700 0.205 0.000 0.876 270 L N 3.966 125.188 121.223 -0.002 0.000 2.492 270 L HA 0.091 4.431 4.340 0.001 0.000 0.280 270 L C -1.611 175.209 176.870 -0.083 0.000 1.240 270 L CA -1.434 53.259 54.840 -0.244 0.000 0.831 270 L CB -0.954 41.001 42.059 -0.172 0.000 1.100 270 L HN 0.283 nan 8.230 nan 0.000 0.505 271 P HA -0.094 nan 4.420 nan 0.000 0.262 271 P C 0.343 177.635 177.300 -0.013 0.000 1.182 271 P CA 0.249 63.324 63.100 -0.042 0.000 0.761 271 P CB 0.670 32.339 31.700 -0.051 0.000 0.795 272 V N 2.990 122.903 119.914 -0.002 0.000 3.406 272 V HA 0.186 4.306 4.120 0.001 0.000 0.263 272 V C 1.077 177.171 176.094 -0.000 0.000 1.172 272 V CA 1.704 64.010 62.300 0.010 0.000 1.140 272 V CB -1.095 30.724 31.823 -0.007 0.000 0.784 272 V HN 0.982 nan 8.190 nan 0.000 0.467 273 G N 1.175 109.969 108.800 -0.010 0.000 2.598 273 G HA2 -0.341 3.619 3.960 0.001 0.000 0.244 273 G HA3 -0.341 3.619 3.960 0.001 0.000 0.244 273 G C 0.028 174.919 174.900 -0.015 0.000 1.302 273 G CA 0.236 45.329 45.100 -0.013 0.000 0.903 273 G HN 0.588 nan 8.290 nan 0.000 0.575 274 N N 1.815 120.506 118.700 -0.015 0.000 3.245 274 N HA 0.318 5.059 4.740 0.001 0.000 0.296 274 N C -0.161 175.340 175.510 -0.016 0.000 1.254 274 N CA 0.284 53.325 53.050 -0.016 0.000 1.190 274 N CB -0.158 38.320 38.487 -0.015 0.000 1.460 274 N HN 0.494 nan 8.380 nan 0.000 0.538 275 Q N 0.713 120.502 119.800 -0.019 0.000 2.421 275 Q HA 0.477 4.817 4.340 0.001 0.000 0.280 275 Q C -2.537 173.444 176.000 -0.031 0.000 1.085 275 Q CA -1.785 54.006 55.803 -0.019 0.000 0.807 275 Q CB 1.642 30.374 28.738 -0.010 0.000 1.405 275 Q HN 0.337 nan 8.270 nan 0.000 0.419 276 P HA -0.026 nan 4.420 nan 0.000 0.262 276 P C 0.699 177.960 177.300 -0.065 0.000 1.199 276 P CA 0.208 63.282 63.100 -0.044 0.000 0.763 276 P CB 0.688 32.365 31.700 -0.038 0.000 0.790 277 V N 4.555 124.425 119.914 -0.073 0.000 2.667 277 V HA -0.162 3.958 4.120 0.001 0.000 0.252 277 V C 2.002 178.016 176.094 -0.134 0.000 1.065 277 V CA 1.415 63.657 62.300 -0.098 0.000 1.083 277 V CB -0.557 31.213 31.823 -0.088 0.000 0.692 277 V HN 0.447 nan 8.190 nan 0.000 0.468 278 L N -0.348 120.804 121.223 -0.120 0.000 2.209 278 L HA -0.007 4.334 4.340 0.001 0.000 0.207 278 L C 2.458 179.255 176.870 -0.123 0.000 1.094 278 L CA 1.665 56.423 54.840 -0.138 0.000 0.790 278 L CB -0.362 41.630 42.059 -0.110 0.000 0.932 278 L HN 0.428 nan 8.230 nan 0.000 0.447 279 E N 0.530 120.672 120.200 -0.097 0.000 2.060 279 E HA -0.102 4.248 4.350 0.001 0.000 0.189 279 E C 0.704 177.236 176.600 -0.113 0.000 0.974 279 E CA 0.404 56.757 56.400 -0.078 0.000 0.808 279 E CB 0.357 30.028 29.700 -0.048 0.000 0.768 279 E HN 0.422 nan 8.360 nan 0.000 0.453 280 Q N 0.986 120.711 119.800 -0.125 0.000 2.569 280 Q HA 0.219 4.560 4.340 0.001 0.000 0.226 280 Q C 0.268 176.125 176.000 -0.239 0.000 1.136 280 Q CA -0.470 55.244 55.803 -0.147 0.000 0.947 280 Q CB 1.042 29.740 28.738 -0.065 0.000 1.218 280 Q HN 0.049 nan 8.270 nan 0.000 0.547 281 R N 0.720 120.973 120.500 -0.411 0.000 2.236 281 R HA 0.114 4.454 4.340 0.001 0.000 0.208 281 R C 0.697 176.643 176.300 -0.589 0.000 1.036 281 R CA 0.717 56.386 56.100 -0.717 0.000 1.001 281 R CB 0.228 29.633 30.300 -1.492 0.000 0.896 281 R HN 0.744 nan 8.270 nan 0.000 0.464 282 G N -0.390 108.198 108.800 -0.353 0.000 2.406 282 G HA2 -0.096 3.865 3.960 0.001 0.000 0.680 282 G HA3 -0.096 3.865 3.960 0.001 0.000 0.680 282 G C -1.729 173.111 174.900 -0.101 0.000 1.338 282 G CA -0.990 44.049 45.100 -0.100 0.000 0.941 282 G HN 0.064 nan 8.290 nan 0.000 0.633 283 Y N -0.968 119.413 120.300 0.134 0.000 2.393 283 Y HA 0.572 5.123 4.550 0.001 0.000 0.341 283 Y C 0.650 176.649 175.900 0.164 0.000 0.988 283 Y CA -0.572 57.613 58.100 0.142 0.000 1.078 283 Y CB 2.257 40.764 38.460 0.078 0.000 1.203 283 Y HN 0.682 nan 8.280 nan 0.000 0.453 284 C N 5.557 125.053 119.300 0.327 0.000 2.492 284 C HA 0.213 4.674 4.460 0.001 0.000 0.284 284 C C -1.218 173.951 174.990 0.299 0.000 1.082 284 C CA -1.418 57.790 59.018 0.318 0.000 1.555 284 C CB 0.108 28.003 27.740 0.259 0.000 1.798 284 C HN 0.668 nan 8.230 nan 0.000 0.413 285 P HA -0.065 nan 4.420 nan 0.000 0.223 285 P C 0.865 178.286 177.300 0.202 0.000 1.151 285 P CA 1.169 64.390 63.100 0.202 0.000 0.787 285 P CB 0.254 32.085 31.700 0.219 0.000 0.788 286 L N -1.362 120.051 121.223 0.317 0.000 2.627 286 L HA 0.231 4.572 4.340 0.001 0.000 0.232 286 L C 1.537 178.511 176.870 0.172 0.000 1.150 286 L CA 0.246 55.218 54.840 0.220 0.000 0.917 286 L CB -1.194 40.959 42.059 0.157 0.000 1.104 286 L HN 0.093 nan 8.230 nan 0.000 0.445 287 G N 1.384 110.303 108.800 0.198 0.000 2.552 287 G HA2 -0.303 3.658 3.960 0.001 0.000 0.265 287 G HA3 -0.303 3.658 3.960 0.001 0.000 0.265 287 G C -0.104 174.904 174.900 0.179 0.000 1.234 287 G CA -0.339 44.881 45.100 0.200 0.000 0.944 287 G HN 0.385 nan 8.290 nan 0.000 0.568 288 R N 1.078 121.689 120.500 0.185 0.000 2.294 288 R HA 0.544 4.885 4.340 0.001 0.000 0.319 288 R C 0.131 176.491 176.300 0.100 0.000 0.984 288 R CA -0.371 55.809 56.100 0.134 0.000 0.861 288 R CB 1.434 31.804 30.300 0.117 0.000 1.104 288 R HN 0.642 nan 8.270 nan 0.000 0.451 289 E N 0.633 120.858 120.200 0.042 0.000 2.281 289 E HA 0.345 4.696 4.350 0.001 0.000 0.257 289 E C -0.604 175.940 176.600 -0.093 0.000 0.971 289 E CA -0.852 55.525 56.400 -0.038 0.000 0.839 289 E CB 1.842 31.518 29.700 -0.040 0.000 1.238 289 E HN 0.297 nan 8.360 nan 0.000 0.412 290 T N 0.903 115.346 114.554 -0.186 0.000 2.797 290 T HA 0.440 4.791 4.350 0.001 0.000 0.279 290 T C -0.613 173.904 174.700 -0.305 0.000 0.991 290 T CA -0.507 61.439 62.100 -0.257 0.000 0.979 290 T CB 1.213 69.882 68.868 -0.331 0.000 0.943 290 T HN 0.245 nan 8.240 nan 0.000 0.444 291 S N 2.181 117.633 115.700 -0.413 0.000 2.677 291 S HA 0.778 5.249 4.470 0.001 0.000 0.304 291 S C -0.881 173.513 174.600 -0.342 0.000 1.108 291 S CA -0.780 57.189 58.200 -0.385 0.000 0.944 291 S CB 1.525 64.496 63.200 -0.383 0.000 1.127 291 S HN 0.729 nan 8.310 nan 0.000 0.511 292 I N 1.338 121.861 120.570 -0.078 0.000 2.619 292 I HA 0.458 4.629 4.170 0.001 0.000 0.292 292 I C -1.544 174.718 176.117 0.242 0.000 1.100 292 I CA -0.444 60.923 61.300 0.111 0.000 1.043 292 I CB 1.603 39.677 38.000 0.124 0.000 1.239 292 I HN 0.411 nan 8.210 nan 0.000 0.420 293 Q N 5.815 125.800 119.800 0.309 0.000 2.351 293 Q HA 0.482 4.823 4.340 0.001 0.000 0.273 293 Q C -0.961 175.137 176.000 0.164 0.000 1.077 293 Q CA -0.762 55.180 55.803 0.232 0.000 0.843 293 Q CB 2.345 31.183 28.738 0.166 0.000 1.367 293 Q HN 0.646 nan 8.270 nan 0.000 0.449 294 R N 1.231 121.733 120.500 0.003 0.000 2.410 294 R HA 0.446 4.787 4.340 0.001 0.000 0.288 294 R C -0.482 175.676 176.300 -0.238 0.000 1.051 294 R CA -0.333 55.545 56.100 -0.371 0.000 1.021 294 R CB 0.595 30.715 30.300 -0.299 0.000 1.032 294 R HN 0.446 nan 8.270 nan 0.000 0.481 295 I N 3.586 123.987 120.570 -0.283 0.000 2.493 295 I HA 0.247 4.418 4.170 0.001 0.000 0.298 295 I C -0.025 175.964 176.117 -0.213 0.000 0.998 295 I CA -0.502 60.661 61.300 -0.229 0.000 1.137 295 I CB 1.772 39.638 38.000 -0.223 0.000 1.310 295 I HN 0.800 nan 8.210 nan 0.000 0.445 296 E N 4.158 124.200 120.200 -0.263 0.000 2.320 296 E HA 0.554 4.905 4.350 0.001 0.000 0.264 296 E C -1.931 174.470 176.600 -0.331 0.000 0.923 296 E CA -0.836 55.467 56.400 -0.162 0.000 0.796 296 E CB 1.608 31.280 29.700 -0.046 0.000 1.262 296 E HN 0.321 nan 8.360 nan 0.000 0.428 297 W N 0.875 122.095 121.300 -0.135 0.000 2.520 297 W HA 0.554 5.215 4.660 0.001 0.000 0.323 297 W C -1.113 175.372 176.519 -0.056 0.000 1.062 297 W CA -0.572 56.683 57.345 -0.151 0.000 1.215 297 W CB 2.070 31.382 29.460 -0.247 0.000 1.340 297 W HN 0.253 nan 8.180 nan 0.000 0.516 298 V N 3.789 123.822 119.914 0.198 0.000 2.567 298 V HA 0.158 4.278 4.120 0.001 0.000 0.298 298 V C -0.639 175.588 176.094 0.222 0.000 1.047 298 V CA -1.131 61.266 62.300 0.160 0.000 0.880 298 V CB 1.596 33.476 31.823 0.096 0.000 1.009 298 V HN 0.676 nan 8.190 nan 0.000 0.429 299 D N 4.005 124.509 120.400 0.173 0.000 2.708 299 D HA -0.185 4.455 4.640 0.001 0.000 0.236 299 D C 0.760 177.111 176.300 0.086 0.000 1.146 299 D CA 1.213 55.311 54.000 0.163 0.000 0.662 299 D CB -0.835 40.111 40.800 0.243 0.000 1.059 299 D HN 0.831 nan 8.370 nan 0.000 0.428 300 N N -2.076 116.682 118.700 0.096 0.000 2.741 300 N HA -0.255 4.485 4.740 0.001 0.000 0.250 300 N C -0.728 174.764 175.510 -0.030 0.000 1.115 300 N CA 1.359 54.427 53.050 0.031 0.000 0.724 300 N CB -1.462 36.965 38.487 -0.101 0.000 1.090 300 N HN 0.572 nan 8.380 nan 0.000 0.558 301 W N 0.405 121.843 121.300 0.230 0.000 2.736 301 W HA 0.471 5.131 4.660 0.001 0.000 0.335 301 W C -2.060 174.276 176.519 -0.306 0.000 1.059 301 W CA -1.780 55.586 57.345 0.035 0.000 1.226 301 W CB 1.488 30.919 29.460 -0.049 0.000 1.416 301 W HN -0.178 nan 8.180 nan 0.000 0.505 302 P HA 0.303 nan 4.420 nan 0.000 0.275 302 P C -0.538 176.472 177.300 -0.483 0.000 1.228 302 P CA -0.171 62.268 63.100 -1.102 0.000 0.786 302 P CB 1.153 32.154 31.700 -1.164 0.000 0.927 303 R N 1.050 121.291 120.500 -0.432 0.000 2.626 303 R HA 0.389 4.730 4.340 0.001 0.000 0.274 303 R C -1.109 175.063 176.300 -0.213 0.000 1.031 303 R CA -1.141 54.813 56.100 -0.243 0.000 0.898 303 R CB 1.761 31.964 30.300 -0.160 0.000 1.222 303 R HN 0.212 nan 8.270 nan 0.000 0.455 304 V N 3.061 122.888 119.914 -0.145 0.000 2.427 304 V HA 0.091 4.211 4.120 0.001 0.000 0.268 304 V C 0.678 176.728 176.094 -0.073 0.000 1.046 304 V CA -0.558 61.682 62.300 -0.101 0.000 0.970 304 V CB 1.198 32.977 31.823 -0.074 0.000 1.001 304 V HN 0.392 nan 8.190 nan 0.000 0.476 305 V N 5.704 125.576 119.914 -0.069 0.000 2.557 305 V HA 0.347 4.467 4.120 0.001 0.000 0.301 305 V C 1.454 177.541 176.094 -0.012 0.000 1.026 305 V CA 1.587 63.863 62.300 -0.041 0.000 1.137 305 V CB 0.135 31.934 31.823 -0.040 0.000 0.917 305 V HN 1.272 nan 8.190 nan 0.000 0.484 306 G N 3.147 111.943 108.800 -0.006 0.000 2.175 306 G HA2 0.197 4.157 3.960 0.001 0.000 0.244 306 G HA3 0.197 4.157 3.960 0.001 0.000 0.244 306 G C 0.707 175.613 174.900 0.010 0.000 0.982 306 G CA -0.119 44.986 45.100 0.009 0.000 0.641 306 G HN 2.415 nan 8.290 nan 0.000 0.527 307 G N -1.159 107.640 108.800 -0.002 0.000 2.576 307 G HA2 0.196 4.157 3.960 0.001 0.000 0.686 307 G HA3 0.196 4.157 3.960 0.001 0.000 0.686 307 G C 0.370 175.275 174.900 0.008 0.000 1.242 307 G CA 0.427 45.531 45.100 0.005 0.000 0.819 307 G HN 0.682 nan 8.290 nan 0.000 0.655 308 K N 0.331 120.741 120.400 0.016 0.000 2.160 308 K HA -0.211 4.109 4.320 0.001 0.000 0.206 308 K C 2.715 179.343 176.600 0.048 0.000 1.047 308 K CA 1.956 58.257 56.287 0.022 0.000 0.930 308 K CB -0.066 32.471 32.500 0.062 0.000 0.720 308 K HN 0.669 nan 8.250 nan 0.000 0.450 309 Q N 0.861 120.710 119.800 0.081 0.000 2.364 309 Q HA -0.076 4.264 4.340 0.001 0.000 0.209 309 Q C 0.593 176.604 176.000 0.017 0.000 0.977 309 Q CA 1.460 57.282 55.803 0.032 0.000 0.885 309 Q CB -0.471 28.259 28.738 -0.013 0.000 0.941 309 Q HN 0.224 nan 8.270 nan 0.000 0.464 310 G N 0.513 109.323 108.800 0.018 0.000 2.862 310 G HA2 -0.128 3.832 3.960 0.001 0.000 0.686 310 G HA3 -0.128 3.832 3.960 0.001 0.000 0.686 310 G C -0.805 174.144 174.900 0.082 0.000 1.134 310 G CA -0.048 45.082 45.100 0.050 0.000 0.791 310 G HN 0.369 nan 8.290 nan 0.000 0.592 311 S N 0.391 116.149 115.700 0.097 0.000 2.621 311 S HA 0.645 5.115 4.470 0.001 0.000 0.302 311 S C 1.414 176.071 174.600 0.096 0.000 1.093 311 S CA -0.218 58.033 58.200 0.084 0.000 1.017 311 S CB 2.130 65.371 63.200 0.068 0.000 1.077 311 S HN 1.040 nan 8.310 nan 0.000 0.517 312 V N 1.327 121.288 119.914 0.077 0.000 2.346 312 V HA 0.006 4.126 4.120 0.001 0.000 0.244 312 V C 0.459 176.595 176.094 0.069 0.000 1.037 312 V CA 1.116 63.459 62.300 0.071 0.000 1.029 312 V CB -0.332 31.527 31.823 0.061 0.000 0.663 312 V HN 0.684 nan 8.190 nan 0.000 0.454 313 N N 0.548 119.286 118.700 0.065 0.000 2.408 313 N HA 0.497 5.238 4.740 0.001 0.000 0.280 313 N C -1.040 174.515 175.510 0.076 0.000 1.002 313 N CA 0.047 53.136 53.050 0.064 0.000 0.907 313 N CB 2.500 41.017 38.487 0.051 0.000 1.161 313 N HN 0.042 nan 8.380 nan 0.000 0.488 314 V N 0.998 120.968 119.914 0.092 0.000 2.709 314 V HA 0.189 4.309 4.120 0.001 0.000 0.308 314 V C 0.252 176.427 176.094 0.134 0.000 1.062 314 V CA -0.970 61.403 62.300 0.123 0.000 0.901 314 V CB 2.433 34.357 31.823 0.168 0.000 1.003 314 V HN 0.615 nan 8.190 nan 0.000 0.425 315 E N 3.044 123.326 120.200 0.137 0.000 2.493 315 E HA 0.343 4.693 4.350 0.001 0.000 0.255 315 E C 0.235 176.964 176.600 0.215 0.000 0.999 315 E CA -0.069 56.414 56.400 0.139 0.000 0.934 315 E CB 0.864 30.635 29.700 0.119 0.000 0.940 315 E HN 0.866 nan 8.360 nan 0.000 0.473 316 A N 6.084 128.970 122.820 0.109 0.000 2.313 316 A HA 0.408 4.729 4.320 0.001 0.000 0.261 316 A C -2.191 175.408 177.584 0.024 0.000 1.090 316 A CA -1.294 50.746 52.037 0.004 0.000 0.807 316 A CB 0.172 19.136 19.000 -0.060 0.000 1.055 316 A HN 0.597 nan 8.150 nan 0.000 0.492 317 P HA 0.145 nan 4.420 nan 0.000 0.272 317 P C -0.903 176.354 177.300 -0.072 0.000 1.240 317 P CA -0.329 62.729 63.100 -0.069 0.000 0.791 317 P CB 0.385 31.911 31.700 -0.290 0.000 0.978 318 K N 2.182 122.554 120.400 -0.046 0.000 2.278 318 K HA 0.351 4.671 4.320 0.001 0.000 0.237 318 K C 0.050 176.607 176.600 -0.072 0.000 1.229 318 K CA 0.077 56.338 56.287 -0.044 0.000 1.155 318 K CB -1.167 31.320 32.500 -0.022 0.000 1.590 318 K HN 0.472 nan 8.250 nan 0.000 0.290 319 I N 1.859 122.383 120.570 -0.077 0.000 2.619 319 I HA 0.253 4.423 4.170 0.001 0.000 0.292 319 I C -2.247 173.835 176.117 -0.058 0.000 1.100 319 I CA -2.507 58.759 61.300 -0.057 0.000 1.043 319 I CB 2.337 40.294 38.000 -0.072 0.000 1.239 319 I HN 0.079 nan 8.210 nan 0.000 0.420 320 P HA 0.019 nan 4.420 nan 0.000 0.266 320 P C -0.526 176.714 177.300 -0.100 0.000 1.195 320 P CA -0.203 62.859 63.100 -0.063 0.000 0.768 320 P CB 0.471 32.139 31.700 -0.054 0.000 0.838 321 E N 1.908 122.041 120.200 -0.112 0.000 2.366 321 E HA 0.147 4.498 4.350 0.001 0.000 0.266 321 E C -1.128 175.343 176.600 -0.215 0.000 1.015 321 E CA -0.226 56.085 56.400 -0.148 0.000 0.906 321 E CB 0.307 29.933 29.700 -0.122 0.000 0.979 321 E HN 0.104 nan 8.360 nan 0.000 0.443 322 V N 6.531 126.267 119.914 -0.297 0.000 2.327 322 V HA 0.211 4.331 4.120 0.001 0.000 0.272 322 V C -0.172 175.492 176.094 -0.716 0.000 1.019 322 V CA -0.778 61.214 62.300 -0.513 0.000 0.814 322 V CB 1.046 32.527 31.823 -0.571 0.000 1.040 322 V HN 0.631 nan 8.190 nan 0.000 0.440 323 K N 2.931 122.994 120.400 -0.561 0.000 2.154 323 K HA 0.450 4.771 4.320 0.001 0.000 0.264 323 K C -1.064 175.129 176.600 -0.679 0.000 1.008 323 K CA -0.289 55.723 56.287 -0.458 0.000 0.937 323 K CB 1.439 33.810 32.500 -0.215 0.000 1.002 323 K HN 0.503 nan 8.250 nan 0.000 0.469 324 W N 1.179 122.404 121.300 -0.124 0.000 2.627 324 W HA 0.258 4.919 4.660 0.001 0.000 0.339 324 W C 0.196 176.668 176.519 -0.077 0.000 1.058 324 W CA -0.749 56.504 57.345 -0.154 0.000 1.223 324 W CB 0.778 30.099 29.460 -0.232 0.000 1.389 324 W HN 0.447 nan 8.180 nan 0.000 0.541 325 E N 1.608 121.897 120.200 0.149 0.000 2.408 325 E HA 0.073 4.424 4.350 0.001 0.000 0.259 325 E C -0.117 176.549 176.600 0.110 0.000 1.110 325 E CA -0.364 56.084 56.400 0.081 0.000 0.929 325 E CB 0.606 30.332 29.700 0.044 0.000 0.971 325 E HN 0.219 nan 8.360 nan 0.000 0.438 326 K N 0.658 121.071 120.400 0.023 0.000 2.469 326 K HA -0.028 4.292 4.320 0.001 0.000 0.274 326 K C 1.016 177.629 176.600 0.023 0.000 0.983 326 K CA 0.404 56.681 56.287 -0.016 0.000 0.974 326 K CB 0.372 32.707 32.500 -0.275 0.000 0.913 326 K HN 0.577 nan 8.250 nan 0.000 0.493 327 T N -0.685 113.948 114.554 0.133 0.000 3.169 327 T HA 0.048 4.398 4.350 0.001 0.000 0.250 327 T C -0.132 174.683 174.700 0.191 0.000 1.111 327 T CA 0.004 62.194 62.100 0.150 0.000 1.010 327 T CB -0.465 68.488 68.868 0.142 0.000 0.984 327 T HN 0.548 nan 8.240 nan 0.000 0.537 328 Y N -1.585 118.715 120.300 0.000 0.000 2.615 328 Y HA 0.750 5.300 4.550 0.001 0.000 0.341 328 Y C -1.425 174.483 175.900 0.012 0.000 1.089 328 Y CA -2.295 55.793 58.100 -0.019 0.000 1.049 328 Y CB 0.766 39.177 38.460 -0.082 0.000 1.296 328 Y HN -0.191 nan 8.280 nan 0.000 0.470 329 D N 1.807 122.225 120.400 0.029 0.000 2.210 329 D HA 0.151 4.791 4.640 0.001 0.000 0.249 329 D C 0.389 176.752 176.300 0.104 0.000 1.078 329 D CA -0.237 53.740 54.000 -0.038 0.000 0.875 329 D CB 1.888 42.700 40.800 0.019 0.000 1.175 329 D HN 0.841 nan 8.370 nan 0.000 0.440 330 E N 1.069 121.274 120.200 0.009 0.000 2.130 330 E HA -0.192 4.158 4.350 0.001 0.000 0.196 330 E C 0.529 177.210 176.600 0.133 0.000 0.998 330 E CA 1.084 57.567 56.400 0.139 0.000 0.806 330 E CB 0.226 29.943 29.700 0.029 0.000 0.738 330 E HN 0.220 nan 8.360 nan 0.000 0.459 331 K N 1.685 122.121 120.400 0.059 0.000 2.389 331 K HA 0.047 4.368 4.320 0.001 0.000 0.261 331 K C -1.365 175.265 176.600 0.049 0.000 1.014 331 K CA -0.383 55.926 56.287 0.037 0.000 0.920 331 K CB 0.998 33.460 32.500 -0.064 0.000 1.149 331 K HN -0.209 nan 8.250 nan 0.000 0.444 332 D N 3.312 123.760 120.400 0.080 0.000 2.347 332 D HA 0.098 4.739 4.640 0.001 0.000 0.235 332 D C -0.179 176.024 176.300 -0.161 0.000 1.149 332 D CA -0.091 53.889 54.000 -0.032 0.000 0.850 332 D CB 0.888 41.668 40.800 -0.035 0.000 1.061 332 D HN 0.582 nan 8.370 nan 0.000 0.487 333 N N 2.751 121.427 118.700 -0.041 0.000 2.398 333 N HA 0.046 4.786 4.740 0.001 0.000 0.188 333 N C -0.342 175.274 175.510 0.176 0.000 1.122 333 N CA -0.217 52.874 53.050 0.068 0.000 0.866 333 N CB -0.086 38.455 38.487 0.090 0.000 0.970 333 N HN 0.328 nan 8.380 nan 0.000 0.462 334 F N 0.019 120.097 119.950 0.214 0.000 3.074 334 F HA -0.247 4.281 4.527 0.001 0.000 0.287 334 F C 0.443 176.320 175.800 0.129 0.000 0.932 334 F CA 0.146 58.248 58.000 0.171 0.000 0.995 334 F CB -1.873 37.227 39.000 0.167 0.000 0.966 334 F HN 0.221 nan 8.300 nan 0.000 0.721 335 D N -1.061 119.485 120.400 0.244 0.000 2.350 335 D HA 0.068 4.708 4.640 0.001 0.000 0.213 335 D C 1.235 177.624 176.300 0.149 0.000 1.031 335 D CA 0.878 54.981 54.000 0.172 0.000 0.861 335 D CB 0.457 41.331 40.800 0.124 0.000 0.926 335 D HN 0.310 nan 8.370 nan 0.000 0.520 336 S N 0.741 116.542 115.700 0.170 0.000 2.608 336 S HA 0.130 4.600 4.470 0.001 0.000 0.291 336 S C 0.712 175.399 174.600 0.144 0.000 1.146 336 S CA -0.722 57.562 58.200 0.140 0.000 1.043 336 S CB 1.504 64.785 63.200 0.135 0.000 1.037 336 S HN 0.033 nan 8.310 nan 0.000 0.520 337 D N 2.119 122.583 120.400 0.108 0.000 2.349 337 D HA 0.032 4.673 4.640 0.001 0.000 0.224 337 D C 0.257 176.612 176.300 0.091 0.000 1.029 337 D CA 0.312 54.367 54.000 0.091 0.000 0.879 337 D CB 0.074 40.916 40.800 0.070 0.000 0.906 337 D HN 0.351 nan 8.370 nan 0.000 0.528 338 K N 0.777 121.242 120.400 0.108 0.000 2.274 338 K HA 0.263 4.583 4.320 0.001 0.000 0.262 338 K C -0.922 175.768 176.600 0.150 0.000 0.961 338 K CA -0.945 55.406 56.287 0.106 0.000 0.833 338 K CB 1.682 34.236 32.500 0.091 0.000 1.102 338 K HN -0.038 nan 8.250 nan 0.000 0.436 339 L N 4.279 125.589 121.223 0.144 0.000 2.416 339 L HA 0.120 4.460 4.340 0.001 0.000 0.272 339 L C 0.423 177.448 176.870 0.259 0.000 1.161 339 L CA 0.313 55.284 54.840 0.219 0.000 0.845 339 L CB 0.544 42.679 42.059 0.127 0.000 1.119 339 L HN 0.676 nan 8.230 nan 0.000 0.464 340 N N 3.884 122.816 118.700 0.387 0.000 2.407 340 N HA -0.133 4.608 4.740 0.001 0.000 0.250 340 N C 1.339 176.923 175.510 0.124 0.000 1.236 340 N CA 0.256 53.438 53.050 0.219 0.000 0.879 340 N CB 0.511 39.062 38.487 0.106 0.000 1.088 340 N HN 0.864 nan 8.380 nan 0.000 0.450 341 I N 3.402 124.006 120.570 0.056 0.000 2.530 341 I HA -0.272 3.899 4.170 0.001 0.000 0.257 341 I C 1.310 177.416 176.117 -0.018 0.000 1.179 341 I CA 1.066 62.391 61.300 0.042 0.000 1.440 341 I CB -0.060 37.970 38.000 0.050 0.000 1.087 341 I HN 0.551 nan 8.210 nan 0.000 0.440 342 N N 0.170 118.776 118.700 -0.156 0.000 2.521 342 N HA -0.019 4.721 4.740 0.001 0.000 0.188 342 N C -0.297 174.995 175.510 -0.363 0.000 1.146 342 N CA 0.412 53.277 53.050 -0.308 0.000 0.893 342 N CB 0.165 38.353 38.487 -0.498 0.000 0.975 342 N HN 0.151 nan 8.380 nan 0.000 0.451 343 F N 1.343 121.203 119.950 -0.150 0.000 2.404 343 F HA 0.354 4.882 4.527 0.001 0.000 0.339 343 F C 0.760 176.472 175.800 -0.146 0.000 1.105 343 F CA -0.529 57.368 58.000 -0.171 0.000 1.087 343 F CB 1.183 40.096 39.000 -0.144 0.000 1.143 343 F HN -0.245 nan 8.300 nan 0.000 0.491 344 Q N 0.776 120.645 119.800 0.115 0.000 2.552 344 Q HA 0.705 5.046 4.340 0.001 0.000 0.289 344 Q C -0.864 175.210 176.000 0.123 0.000 1.097 344 Q CA -1.074 54.792 55.803 0.104 0.000 0.812 344 Q CB 2.591 31.438 28.738 0.183 0.000 1.460 344 Q HN 0.728 nan 8.270 nan 0.000 0.452 345 S N -0.543 115.241 115.700 0.140 0.000 2.751 345 S HA 0.649 5.120 4.470 0.001 0.000 0.310 345 S C -0.751 173.781 174.600 -0.113 0.000 1.128 345 S CA -0.888 57.294 58.200 -0.029 0.000 0.931 345 S CB 0.651 63.806 63.200 -0.075 0.000 1.177 345 S HN 0.479 nan 8.310 nan 0.000 0.530 346 L N 1.905 122.907 121.223 -0.369 0.000 2.265 346 L HA 0.521 4.861 4.340 0.001 0.000 0.288 346 L C 1.148 177.835 176.870 -0.307 0.000 1.058 346 L CA -0.403 54.111 54.840 -0.542 0.000 0.809 346 L CB 0.465 42.161 42.059 -0.604 0.000 1.179 346 L HN 0.936 nan 8.230 nan 0.000 0.429 347 R N 1.362 121.726 120.500 -0.227 0.000 3.594 347 R HA -0.244 4.097 4.340 0.001 0.000 0.317 347 R C 0.057 176.171 176.300 -0.310 0.000 0.681 347 R CA 2.074 58.066 56.100 -0.181 0.000 1.656 347 R CB -1.275 28.883 30.300 -0.237 0.000 1.720 347 R HN 0.730 nan 8.270 nan 0.000 0.480 348 I N -2.030 118.253 120.570 -0.479 0.000 2.934 348 I HA 0.631 4.801 4.170 0.001 0.000 0.306 348 I C -2.737 172.778 176.117 -1.004 0.000 1.110 348 I CA -2.987 57.846 61.300 -0.777 0.000 1.019 348 I CB 2.416 40.173 38.000 -0.404 0.000 1.227 348 I HN -0.296 nan 8.210 nan 0.000 0.434 349 P HA 0.207 nan 4.420 nan 0.000 0.266 349 P C -0.636 176.535 177.300 -0.215 0.000 1.195 349 P CA 0.085 62.892 63.100 -0.489 0.000 0.768 349 P CB 0.506 32.057 31.700 -0.249 0.000 0.838 350 L N 2.265 123.445 121.223 -0.071 0.000 2.426 350 L HA 0.311 4.652 4.340 0.001 0.000 0.271 350 L C 1.374 178.222 176.870 -0.036 0.000 1.169 350 L CA 0.264 55.072 54.840 -0.055 0.000 0.836 350 L CB 0.318 42.359 42.059 -0.029 0.000 1.112 350 L HN 0.481 nan 8.230 nan 0.000 0.465 351 T N -2.525 112.010 114.554 -0.032 0.000 2.926 351 T HA 0.276 4.626 4.350 0.001 0.000 0.289 351 T C 0.671 175.377 174.700 0.010 0.000 1.054 351 T CA -0.879 61.210 62.100 -0.018 0.000 1.015 351 T CB 1.608 70.455 68.868 -0.035 0.000 1.167 351 T HN 0.474 nan 8.240 nan 0.000 0.526 352 E N 0.628 120.835 120.200 0.012 0.000 2.333 352 E HA -0.082 4.268 4.350 0.001 0.000 0.198 352 E C 1.217 177.825 176.600 0.014 0.000 1.007 352 E CA 0.643 57.069 56.400 0.043 0.000 0.845 352 E CB -0.193 29.517 29.700 0.017 0.000 0.766 352 E HN 0.496 nan 8.360 nan 0.000 0.507 353 N N -0.048 118.617 118.700 -0.057 0.000 2.467 353 N HA 0.051 4.791 4.740 0.001 0.000 0.184 353 N C 1.597 177.103 175.510 -0.006 0.000 1.106 353 N CA 0.375 53.324 53.050 -0.168 0.000 0.892 353 N CB 0.408 38.807 38.487 -0.147 0.000 0.969 353 N HN 0.281 nan 8.380 nan 0.000 0.454 354 I N -0.804 119.836 120.570 0.116 0.000 3.565 354 I HA 0.234 4.405 4.170 0.001 0.000 0.287 354 I C 0.381 176.614 176.117 0.194 0.000 1.193 354 I CA 0.055 61.444 61.300 0.148 0.000 1.402 354 I CB 0.388 38.405 38.000 0.029 0.000 1.284 354 I HN -0.111 nan 8.210 nan 0.000 0.454 355 A N 0.066 122.964 122.820 0.130 0.000 2.455 355 A HA 0.757 5.078 4.320 0.001 0.000 0.300 355 A C -0.809 176.805 177.584 0.050 0.000 1.040 355 A CA -0.330 51.717 52.037 0.015 0.000 0.697 355 A CB 1.784 20.728 19.000 -0.093 0.000 1.265 355 A HN -0.015 nan 8.150 nan 0.000 0.407 356 S N 1.398 117.093 115.700 -0.008 0.000 2.575 356 S HA 0.557 5.027 4.470 0.001 0.000 0.278 356 S C -0.170 174.406 174.600 -0.041 0.000 1.139 356 S CA -0.518 57.702 58.200 0.033 0.000 0.954 356 S CB 0.942 64.237 63.200 0.158 0.000 1.054 356 S HN 0.654 nan 8.310 nan 0.000 0.483 357 L N 4.272 125.486 121.223 -0.014 0.000 2.585 357 L HA 0.358 4.698 4.340 0.001 0.000 0.226 357 L C 1.882 178.777 176.870 0.042 0.000 1.113 357 L CA 0.257 55.098 54.840 0.001 0.000 0.876 357 L CB 0.042 42.123 42.059 0.035 0.000 1.072 357 L HN 0.593 nan 8.230 nan 0.000 0.468 358 K N -0.149 120.280 120.400 0.048 0.000 2.242 358 K HA 0.149 4.469 4.320 0.001 0.000 0.200 358 K C 2.214 178.851 176.600 0.063 0.000 1.050 358 K CA 0.751 57.072 56.287 0.057 0.000 0.981 358 K CB 0.088 32.620 32.500 0.055 0.000 0.795 358 K HN 0.181 nan 8.250 nan 0.000 0.477 359 A N 1.930 124.795 122.820 0.074 0.000 1.908 359 A HA -0.154 4.166 4.320 0.001 0.000 0.218 359 A C 1.096 178.720 177.584 0.067 0.000 1.181 359 A CA 1.349 53.438 52.037 0.087 0.000 0.627 359 A CB -0.082 18.998 19.000 0.133 0.000 0.818 359 A HN 0.158 nan 8.150 nan 0.000 0.445 360 K N -0.316 120.118 120.400 0.056 0.000 2.668 360 K HA 0.327 4.647 4.320 0.001 0.000 0.246 360 K C -0.985 175.661 176.600 0.078 0.000 0.976 360 K CA -0.720 55.606 56.287 0.065 0.000 0.902 360 K CB 0.936 33.476 32.500 0.065 0.000 1.172 360 K HN 0.036 nan 8.250 nan 0.000 0.452 361 K N 2.193 122.641 120.400 0.080 0.000 2.524 361 K HA 0.090 4.411 4.320 0.001 0.000 0.279 361 K C 0.899 177.568 176.600 0.114 0.000 0.993 361 K CA 2.070 58.412 56.287 0.091 0.000 1.030 361 K CB 0.244 32.791 32.500 0.079 0.000 0.891 361 K HN 0.785 nan 8.250 nan 0.000 0.488 362 G N 2.641 111.527 108.800 0.143 0.000 2.179 362 G HA2 -0.282 3.678 3.960 0.001 0.000 0.260 362 G HA3 -0.282 3.678 3.960 0.001 0.000 0.260 362 G C -0.179 174.861 174.900 0.233 0.000 0.977 362 G CA 0.354 45.561 45.100 0.179 0.000 0.641 362 G HN 0.706 nan 8.290 nan 0.000 0.533 363 N N -0.737 118.079 118.700 0.193 0.000 2.262 363 N HA 0.565 5.306 4.740 0.001 0.000 0.295 363 N C -1.367 174.143 175.510 -0.000 0.000 1.161 363 N CA -0.814 52.343 53.050 0.178 0.000 0.767 363 N CB 2.194 40.775 38.487 0.156 0.000 1.499 363 N HN 0.149 nan 8.380 nan 0.000 0.476 364 L N 1.856 122.927 121.223 -0.253 0.000 2.257 364 L HA 0.359 4.699 4.340 0.001 0.000 0.290 364 L C 0.042 176.803 176.870 -0.182 0.000 1.044 364 L CA -0.263 54.289 54.840 -0.481 0.000 0.810 364 L CB 0.382 41.691 42.059 -1.249 0.000 1.193 364 L HN 0.479 nan 8.230 nan 0.000 0.425 365 R N 5.786 126.165 120.500 -0.202 0.000 2.207 365 R HA 0.525 4.865 4.340 0.001 0.000 0.334 365 R C -1.508 174.554 176.300 -0.397 0.000 1.013 365 R CA -0.488 55.445 56.100 -0.279 0.000 0.858 365 R CB 0.504 30.578 30.300 -0.377 0.000 1.094 365 R HN 0.752 nan 8.270 nan 0.000 0.457 366 L N 5.986 127.058 121.223 -0.251 0.000 2.272 366 L HA 0.356 4.697 4.340 0.001 0.000 0.289 366 L C -0.890 175.840 176.870 -0.234 0.000 1.032 366 L CA -0.946 53.776 54.840 -0.196 0.000 0.810 366 L CB 1.056 43.093 42.059 -0.037 0.000 1.205 366 L HN 0.623 nan 8.230 nan 0.000 0.422 367 Y N 1.456 121.760 120.300 0.008 0.000 2.404 367 Y HA 0.316 4.866 4.550 0.001 0.000 0.344 367 Y C 1.250 177.158 175.900 0.014 0.000 0.995 367 Y CA -0.470 57.641 58.100 0.019 0.000 1.201 367 Y CB 0.947 39.408 38.460 0.002 0.000 1.151 367 Y HN 0.637 nan 8.280 nan 0.000 0.517 368 G N 4.311 113.207 108.800 0.161 0.000 2.353 368 G HA2 0.213 4.173 3.960 0.001 0.000 0.239 368 G HA3 0.213 4.173 3.960 0.001 0.000 0.239 368 G C 0.157 175.099 174.900 0.071 0.000 1.295 368 G CA -0.402 44.754 45.100 0.092 0.000 0.884 368 G HN 0.490 nan 8.290 nan 0.000 0.537 369 K N 1.439 121.859 120.400 0.034 0.000 1.908 369 K HA 0.306 4.626 4.320 0.001 0.000 0.286 369 K C 0.414 177.018 176.600 0.005 0.000 0.951 369 K CA -0.626 55.673 56.287 0.020 0.000 0.966 369 K CB 0.200 32.710 32.500 0.016 0.000 3.230 369 K HN 0.631 nan 8.250 nan 0.000 1.118 370 E N 1.418 121.620 120.200 0.004 0.000 2.342 370 E HA 0.147 4.497 4.350 0.001 0.000 0.257 370 E C -0.004 176.584 176.600 -0.019 0.000 1.150 370 E CA -0.369 56.035 56.400 0.006 0.000 0.926 370 E CB 0.752 30.473 29.700 0.035 0.000 1.074 370 E HN 0.488 nan 8.360 nan 0.000 0.449 371 S N 0.312 116.007 115.700 -0.009 0.000 2.596 371 S HA 0.025 4.495 4.470 0.001 0.000 0.260 371 S C 1.080 175.624 174.600 -0.094 0.000 1.336 371 S CA -0.447 57.725 58.200 -0.047 0.000 0.993 371 S CB 0.302 63.505 63.200 0.005 0.000 0.923 371 S HN 0.528 nan 8.310 nan 0.000 0.567 372 L N 0.838 121.916 121.223 -0.241 0.000 2.450 372 L HA -0.040 4.301 4.340 0.001 0.000 0.224 372 L C 2.475 179.337 176.870 -0.013 0.000 1.149 372 L CA 1.318 55.929 54.840 -0.381 0.000 0.816 372 L CB -0.918 40.465 42.059 -1.127 0.000 0.932 372 L HN 1.028 nan 8.230 nan 0.000 0.449 373 T N -5.637 109.017 114.554 0.167 0.000 3.086 373 T HA 0.049 4.399 4.350 0.001 0.000 0.250 373 T C 0.865 175.720 174.700 0.259 0.000 1.074 373 T CA -0.148 62.167 62.100 0.358 0.000 0.988 373 T CB 0.180 69.330 68.868 0.469 0.000 0.988 373 T HN 0.089 nan 8.240 nan 0.000 0.530 374 S N 2.298 118.102 115.700 0.173 0.000 2.523 374 S HA 0.327 4.798 4.470 0.001 0.000 0.275 374 S C 1.235 175.924 174.600 0.148 0.000 1.281 374 S CA -0.256 58.054 58.200 0.184 0.000 1.050 374 S CB 0.752 64.044 63.200 0.153 0.000 0.937 374 S HN 0.541 nan 8.310 nan 0.000 0.492 375 T N 2.862 117.510 114.554 0.157 0.000 3.235 375 T HA 0.303 4.653 4.350 0.001 0.000 0.251 375 T C 0.601 175.102 174.700 -0.332 0.000 1.060 375 T CA -0.067 61.987 62.100 -0.077 0.000 0.949 375 T CB -0.452 68.326 68.868 -0.151 0.000 1.020 375 T HN 0.520 nan 8.240 nan 0.000 0.564 376 F N 1.667 121.601 119.950 -0.027 0.000 2.376 376 F HA 0.389 4.916 4.527 0.001 0.000 0.234 376 F C 0.951 176.709 175.800 -0.071 0.000 1.010 376 F CA -0.315 57.657 58.000 -0.046 0.000 1.100 376 F CB -0.039 38.942 39.000 -0.032 0.000 1.360 376 F HN -0.042 nan 8.300 nan 0.000 0.649 377 T N 2.045 116.687 114.554 0.146 0.000 2.912 377 T HA 0.367 4.717 4.350 0.001 0.000 0.326 377 T C -0.814 173.895 174.700 0.014 0.000 1.080 377 T CA -0.546 61.575 62.100 0.035 0.000 1.000 377 T CB 0.879 69.768 68.868 0.035 0.000 1.008 377 T HN 0.068 nan 8.240 nan 0.000 0.473 378 Q N 1.657 121.446 119.800 -0.019 0.000 2.293 378 Q HA 0.626 4.966 4.340 0.001 0.000 0.261 378 Q C -0.381 175.618 176.000 -0.002 0.000 0.960 378 Q CA -0.893 54.903 55.803 -0.012 0.000 0.882 378 Q CB 2.170 30.905 28.738 -0.005 0.000 1.275 378 Q HN 0.740 nan 8.270 nan 0.000 0.445 379 A N 3.619 126.439 122.820 -0.000 0.000 2.915 379 A HA 0.370 4.690 4.320 0.001 0.000 0.292 379 A C -1.092 176.509 177.584 0.028 0.000 1.632 379 A CA 0.122 52.157 52.037 -0.003 0.000 1.337 379 A CB -0.556 18.444 19.000 0.000 0.000 1.111 379 A HN 0.502 nan 8.150 nan 0.000 0.569 380 F N 3.506 123.335 119.950 -0.201 0.000 2.630 380 F HA 0.558 5.086 4.527 0.001 0.000 0.325 380 F C -1.066 174.608 175.800 -0.209 0.000 1.184 380 F CA -2.154 55.704 58.000 -0.235 0.000 1.011 380 F CB 1.191 40.029 39.000 -0.269 0.000 1.268 380 F HN 0.514 nan 8.300 nan 0.000 0.480 381 I N 3.116 123.525 120.570 -0.267 0.000 2.740 381 I HA 1.054 5.224 4.170 0.001 0.000 0.303 381 I C -0.990 174.864 176.117 -0.439 0.000 1.044 381 I CA -0.790 60.249 61.300 -0.434 0.000 1.064 381 I CB 1.984 39.666 38.000 -0.530 0.000 1.249 381 I HN 0.807 nan 8.210 nan 0.000 0.433 382 A N 3.890 126.556 122.820 -0.257 0.000 2.610 382 A HA 0.916 5.236 4.320 0.001 0.000 0.291 382 A C -1.154 176.514 177.584 0.141 0.000 1.086 382 A CA -0.969 51.031 52.037 -0.060 0.000 0.677 382 A CB 1.865 20.751 19.000 -0.190 0.000 1.278 382 A HN 0.971 nan 8.150 nan 0.000 0.414 383 R N -0.028 120.508 120.500 0.060 0.000 2.867 383 R HA 0.810 5.150 4.340 0.001 0.000 0.268 383 R C -0.828 175.118 176.300 -0.590 0.000 1.014 383 R CA -0.884 55.036 56.100 -0.299 0.000 0.946 383 R CB 0.931 30.889 30.300 -0.569 0.000 1.208 383 R HN 0.604 nan 8.270 nan 0.000 0.477 384 R N 0.501 120.447 120.500 -0.923 0.000 2.490 384 R HA 0.167 4.508 4.340 0.001 0.000 0.280 384 R C -0.614 175.388 176.300 -0.496 0.000 1.077 384 R CA -0.294 55.198 56.100 -1.013 0.000 1.065 384 R CB 0.428 30.253 30.300 -0.791 0.000 1.003 384 R HN 0.472 nan 8.270 nan 0.000 0.470 385 W N 2.386 123.393 121.300 -0.489 0.000 2.322 385 W HA 0.021 4.682 4.660 0.001 0.000 0.328 385 W C 0.691 177.064 176.519 -0.243 0.000 1.395 385 W CA 0.157 57.334 57.345 -0.280 0.000 1.267 385 W CB 0.145 29.670 29.460 0.108 0.000 1.259 385 W HN 0.580 nan 8.180 nan 0.000 0.560 386 Q N 1.550 121.342 119.800 -0.013 0.000 2.118 386 Q HA 0.175 4.516 4.340 0.001 0.000 0.219 386 Q C 0.140 176.160 176.000 0.035 0.000 0.794 386 Q CA -0.051 55.749 55.803 -0.005 0.000 1.035 386 Q CB 1.202 29.890 28.738 -0.083 0.000 1.177 386 Q HN 0.322 nan 8.270 nan 0.000 0.478 387 S N -1.229 114.546 115.700 0.125 0.000 2.579 387 S HA 0.405 4.875 4.470 0.001 0.000 0.272 387 S C -0.602 174.168 174.600 0.284 0.000 1.141 387 S CA -0.555 57.702 58.200 0.095 0.000 0.843 387 S CB 0.611 63.889 63.200 0.130 0.000 1.122 387 S HN 0.128 nan 8.310 nan 0.000 0.468 388 F N 1.845 121.944 119.950 0.248 0.000 2.604 388 F HA 0.394 4.922 4.527 0.001 0.000 0.298 388 F C 1.208 177.053 175.800 0.076 0.000 1.131 388 F CA 0.523 58.652 58.000 0.215 0.000 1.457 388 F CB -0.049 39.047 39.000 0.161 0.000 1.095 388 F HN 0.410 nan 8.300 nan 0.000 0.574 389 K N 0.583 121.121 120.400 0.229 0.000 2.578 389 K HA 0.473 4.794 4.320 0.001 0.000 0.250 389 K C -1.320 175.299 176.600 0.032 0.000 0.955 389 K CA -0.438 55.863 56.287 0.022 0.000 0.825 389 K CB 1.223 33.748 32.500 0.040 0.000 1.151 389 K HN -0.051 nan 8.250 nan 0.000 0.432 390 F N -0.456 119.361 119.950 -0.222 0.000 2.773 390 F HA 0.539 5.067 4.527 0.001 0.000 0.314 390 F C -1.765 173.839 175.800 -0.325 0.000 1.160 390 F CA -1.169 56.629 58.000 -0.336 0.000 0.920 390 F CB 1.096 39.787 39.000 -0.515 0.000 1.323 390 F HN 0.191 nan 8.300 nan 0.000 0.457 391 D N 1.247 121.605 120.400 -0.069 0.000 2.362 391 D HA 0.736 5.377 4.640 0.001 0.000 0.247 391 D C -1.058 175.265 176.300 0.038 0.000 1.050 391 D CA -0.182 53.748 54.000 -0.118 0.000 0.839 391 D CB 2.044 42.743 40.800 -0.169 0.000 1.283 391 D HN 0.985 nan 8.370 nan 0.000 0.477 392 A N 1.083 123.938 122.820 0.059 0.000 2.435 392 A HA 0.820 5.140 4.320 0.001 0.000 0.304 392 A C -0.639 176.922 177.584 -0.039 0.000 1.064 392 A CA -0.550 51.499 52.037 0.019 0.000 0.727 392 A CB 1.398 20.531 19.000 0.221 0.000 1.284 392 A HN 0.545 nan 8.150 nan 0.000 0.415 393 S N 0.023 115.642 115.700 -0.135 0.000 2.625 393 S HA 0.910 5.381 4.470 0.001 0.000 0.271 393 S C -0.528 174.140 174.600 0.113 0.000 1.161 393 S CA -0.070 58.194 58.200 0.105 0.000 0.820 393 S CB 1.668 65.007 63.200 0.231 0.000 1.137 393 S HN 1.739 nan 8.310 nan 0.000 0.470 394 T N -0.029 114.647 114.554 0.204 0.000 2.711 394 T HA 0.805 5.156 4.350 0.001 0.000 0.302 394 T C -1.766 172.757 174.700 -0.295 0.000 1.373 394 T CA 0.106 62.140 62.100 -0.110 0.000 1.000 394 T CB 1.253 70.317 68.868 0.327 0.000 1.483 394 T HN 1.863 nan 8.240 nan 0.000 0.499 395 S N 0.424 115.819 115.700 -0.508 0.000 2.546 395 S HA 0.821 5.292 4.470 0.001 0.000 0.274 395 S C -1.524 173.048 174.600 -0.046 0.000 1.121 395 S CA -0.665 57.363 58.200 -0.286 0.000 0.887 395 S CB 1.593 64.367 63.200 -0.710 0.000 1.094 395 S HN 0.992 nan 8.310 nan 0.000 0.474 396 V N 1.382 121.261 119.914 -0.058 0.000 2.808 396 V HA 0.803 4.924 4.120 0.001 0.000 0.308 396 V C -0.699 175.205 176.094 -0.316 0.000 1.099 396 V CA -0.276 61.825 62.300 -0.331 0.000 0.920 396 V CB 2.180 33.557 31.823 -0.743 0.000 1.014 396 V HN 1.181 nan 8.190 nan 0.000 0.425 397 S N 6.136 121.503 115.700 -0.555 0.000 2.442 397 S HA 0.823 5.293 4.470 0.001 0.000 0.297 397 S C -1.325 173.145 174.600 -0.217 0.000 1.131 397 S CA -0.336 57.523 58.200 -0.568 0.000 1.092 397 S CB 0.680 63.299 63.200 -0.968 0.000 0.998 397 S HN 0.803 nan 8.310 nan 0.000 0.478 398 F N 3.042 122.807 119.950 -0.309 0.000 2.635 398 F HA 0.473 5.000 4.527 0.001 0.000 0.314 398 F C -0.752 174.958 175.800 -0.151 0.000 1.119 398 F CA -0.680 57.188 58.000 -0.219 0.000 1.000 398 F CB 1.837 40.718 39.000 -0.198 0.000 1.278 398 F HN 0.424 nan 8.300 nan 0.000 0.446 399 S N 6.364 121.727 115.700 -0.562 0.000 2.080 399 S HA 0.327 4.798 4.470 0.001 0.000 0.162 399 S C -2.782 171.439 174.600 -0.632 0.000 1.618 399 S CA -1.013 56.915 58.200 -0.453 0.000 1.200 399 S CB 0.336 63.364 63.200 -0.286 0.000 1.135 399 S HN 0.349 nan 8.310 nan 0.000 0.455 400 P HA 0.268 nan 4.420 nan 0.000 0.271 400 P C -0.470 176.543 177.300 -0.479 0.000 1.218 400 P CA -0.087 62.634 63.100 -0.630 0.000 0.780 400 P CB 0.839 32.340 31.700 -0.331 0.000 0.901 401 D N -0.643 119.357 120.400 -0.667 0.000 2.513 401 D HA 0.137 4.777 4.640 0.001 0.000 0.222 401 D C -0.159 175.131 176.300 -1.683 0.000 1.210 401 D CA -0.266 53.045 54.000 -1.149 0.000 0.825 401 D CB 0.074 40.441 40.800 -0.720 0.000 1.037 401 D HN 0.333 nan 8.370 nan 0.000 0.506 402 T N -1.026 112.898 114.554 -1.051 0.000 2.889 402 T HA 0.354 4.705 4.350 0.001 0.000 0.315 402 T C -0.086 174.504 174.700 -0.182 0.000 1.291 402 T CA -0.840 60.758 62.100 -0.837 0.000 1.028 402 T CB 0.342 68.750 68.868 -0.767 0.000 1.235 402 T HN -0.084 nan 8.240 nan 0.000 0.491 403 F N 1.389 121.537 119.950 0.329 0.000 2.494 403 F HA 0.163 4.691 4.527 0.001 0.000 0.298 403 F C 2.003 177.882 175.800 0.133 0.000 1.106 403 F CA 0.399 58.553 58.000 0.256 0.000 1.452 403 F CB -0.825 38.308 39.000 0.222 0.000 1.085 403 F HN 0.554 nan 8.300 nan 0.000 0.569 404 Q N 0.481 120.237 119.800 -0.074 0.000 2.515 404 Q HA 0.026 4.366 4.340 0.001 0.000 0.212 404 Q C -0.049 175.974 176.000 0.039 0.000 0.970 404 Q CA 0.514 56.327 55.803 0.017 0.000 0.941 404 Q CB -0.084 28.595 28.738 -0.098 0.000 0.998 404 Q HN 0.604 nan 8.270 nan 0.000 0.518 405 Q N -0.280 119.557 119.800 0.062 0.000 2.331 405 Q HA 0.672 5.012 4.340 0.001 0.000 0.267 405 Q C -1.345 174.865 176.000 0.349 0.000 1.006 405 Q CA -0.545 55.367 55.803 0.182 0.000 0.818 405 Q CB 2.319 31.085 28.738 0.047 0.000 1.276 405 Q HN 0.099 nan 8.270 nan 0.000 0.450 406 A N 1.408 124.443 122.820 0.359 0.000 2.547 406 A HA 0.899 5.219 4.320 0.001 0.000 0.297 406 A C -1.734 175.780 177.584 -0.117 0.000 1.056 406 A CA -0.428 51.762 52.037 0.254 0.000 0.688 406 A CB 1.658 20.743 19.000 0.142 0.000 1.282 406 A HN 0.682 nan 8.150 nan 0.000 0.400 407 A N 0.593 123.231 122.820 -0.305 0.000 2.449 407 A HA 1.015 5.336 4.320 0.001 0.000 0.302 407 A C 0.051 177.572 177.584 -0.105 0.000 1.048 407 A CA 0.062 51.842 52.037 -0.430 0.000 0.708 407 A CB 1.578 19.929 19.000 -1.081 0.000 1.274 407 A HN 2.637 nan 8.150 nan 0.000 0.410 408 G N -0.572 108.270 108.800 0.071 0.000 2.428 408 G HA2 0.571 4.532 3.960 0.001 0.000 0.305 408 G HA3 0.571 4.532 3.960 0.001 0.000 0.305 408 G C -2.186 172.843 174.900 0.215 0.000 1.260 408 G CA -0.277 44.914 45.100 0.151 0.000 0.853 408 G HN 1.514 nan 8.290 nan 0.000 0.480 409 L N 0.562 121.904 121.223 0.198 0.000 2.329 409 L HA 0.878 5.219 4.340 0.001 0.000 0.279 409 L C -0.383 176.630 176.870 0.239 0.000 1.014 409 L CA -0.160 54.857 54.840 0.295 0.000 0.814 409 L CB 2.016 44.303 42.059 0.378 0.000 1.257 409 L HN 0.630 nan 8.230 nan 0.000 0.424 410 T N 3.476 118.238 114.554 0.347 0.000 2.952 410 T HA 0.396 4.747 4.350 0.001 0.000 0.305 410 T C -1.120 173.915 174.700 0.559 0.000 1.064 410 T CA -0.357 61.949 62.100 0.343 0.000 1.008 410 T CB 1.024 69.930 68.868 0.063 0.000 1.078 410 T HN 0.619 nan 8.240 nan 0.000 0.459 411 C N 3.500 123.165 119.300 0.609 0.000 2.295 411 C HA 0.723 5.183 4.460 0.001 0.000 0.331 411 C C -0.550 174.821 174.990 0.635 0.000 1.280 411 C CA -0.787 58.608 59.018 0.629 0.000 1.746 411 C CB -1.060 26.939 27.740 0.431 0.000 2.328 411 C HN 0.916 nan 8.230 nan 0.000 0.521 412 Y N 1.917 122.515 120.300 0.496 0.000 2.470 412 Y HA 0.466 5.016 4.550 0.001 0.000 0.341 412 Y C -0.380 175.788 175.900 0.447 0.000 1.021 412 Y CA -0.611 57.805 58.100 0.527 0.000 1.025 412 Y CB 0.956 39.808 38.460 0.653 0.000 1.266 412 Y HN 0.719 nan 8.280 nan 0.000 0.448 413 Y N 3.951 124.234 120.300 -0.028 0.000 2.583 413 Y HA 0.288 4.838 4.550 0.001 0.000 0.270 413 Y C -0.062 175.751 175.900 -0.145 0.000 1.113 413 Y CA 1.089 59.188 58.100 -0.002 0.000 1.307 413 Y CB 0.426 38.861 38.460 -0.040 0.000 1.369 413 Y HN 0.752 nan 8.280 nan 0.000 0.506 414 N N -2.293 116.328 118.700 -0.132 0.000 3.316 414 N HA 0.107 4.848 4.740 0.001 0.000 0.300 414 N C 0.270 175.675 175.510 -0.176 0.000 1.567 414 N CA 0.224 53.189 53.050 -0.142 0.000 0.821 414 N CB 0.332 38.928 38.487 0.182 0.000 1.748 414 N HN 0.022 nan 8.380 nan 0.000 0.603 415 T N -3.123 111.532 114.554 0.169 0.000 3.051 415 T HA -0.063 4.288 4.350 0.001 0.000 0.269 415 T C 0.554 175.569 174.700 0.525 0.000 1.127 415 T CA 1.389 63.729 62.100 0.399 0.000 1.107 415 T CB -0.557 68.517 68.868 0.343 0.000 0.898 415 T HN 0.764 nan 8.240 nan 0.000 0.517 416 E N 0.482 120.843 120.200 0.268 0.000 2.651 416 E HA 0.234 4.585 4.350 0.001 0.000 0.208 416 E C -0.449 176.036 176.600 -0.191 0.000 0.997 416 E CA -0.707 55.750 56.400 0.094 0.000 1.020 416 E CB 0.222 30.029 29.700 0.179 0.000 1.052 416 E HN 0.246 nan 8.360 nan 0.000 0.465 417 N N 2.093 120.697 118.700 -0.160 0.000 2.594 417 N HA 0.166 4.906 4.740 0.001 0.000 0.280 417 N C -1.640 173.846 175.510 -0.040 0.000 1.156 417 N CA -0.383 52.560 53.050 -0.178 0.000 0.831 417 N CB 1.086 39.543 38.487 -0.050 0.000 1.379 417 N HN 0.318 nan 8.380 nan 0.000 0.536 418 W N 0.284 121.575 121.300 -0.015 0.000 3.064 418 W HA 0.459 5.119 4.660 0.001 0.000 0.328 418 W C -1.423 175.136 176.519 0.067 0.000 1.210 418 W CA -0.917 56.463 57.345 0.058 0.000 1.178 418 W CB 0.293 29.809 29.460 0.093 0.000 1.416 418 W HN 0.288 nan 8.180 nan 0.000 0.568 419 S N 0.515 116.525 115.700 0.517 0.000 2.618 419 S HA 0.836 5.307 4.470 0.001 0.000 0.277 419 S C -1.238 173.605 174.600 0.404 0.000 1.138 419 S CA -0.574 57.810 58.200 0.307 0.000 0.844 419 S CB 2.765 65.709 63.200 -0.426 0.000 1.127 419 S HN 0.832 nan 8.310 nan 0.000 0.474 420 T N 0.623 115.303 114.554 0.210 0.000 2.942 420 T HA 0.547 4.898 4.350 0.001 0.000 0.327 420 T C -1.834 172.705 174.700 -0.268 0.000 1.360 420 T CA -0.658 61.422 62.100 -0.032 0.000 1.055 420 T CB 1.206 70.102 68.868 0.046 0.000 1.261 420 T HN 0.883 nan 8.240 nan 0.000 0.485 421 I N 3.465 123.739 120.570 -0.494 0.000 2.354 421 I HA 0.576 4.747 4.170 0.001 0.000 0.292 421 I C -0.686 175.406 176.117 -0.041 0.000 0.989 421 I CA -0.410 60.738 61.300 -0.255 0.000 1.188 421 I CB 1.195 39.024 38.000 -0.284 0.000 1.342 421 I HN 0.686 nan 8.210 nan 0.000 0.457 422 Q N 5.440 125.258 119.800 0.029 0.000 2.397 422 Q HA 0.482 4.823 4.340 0.001 0.000 0.275 422 Q C -1.379 174.680 176.000 0.098 0.000 1.090 422 Q CA -0.962 54.878 55.803 0.061 0.000 0.809 422 Q CB 3.187 31.968 28.738 0.072 0.000 1.362 422 Q HN 0.446 nan 8.270 nan 0.000 0.431 423 V N 1.775 121.761 119.914 0.120 0.000 2.406 423 V HA 0.428 4.549 4.120 0.001 0.000 0.272 423 V C 0.173 176.432 176.094 0.274 0.000 1.043 423 V CA 0.269 62.677 62.300 0.181 0.000 0.915 423 V CB 1.062 33.009 31.823 0.207 0.000 0.988 423 V HN 0.893 nan 8.190 nan 0.000 0.466 424 T N 3.942 118.638 114.554 0.237 0.000 2.587 424 T HA 0.612 4.962 4.350 0.001 0.000 0.282 424 T C -2.215 172.662 174.700 0.295 0.000 1.018 424 T CA -0.528 61.742 62.100 0.284 0.000 1.120 424 T CB 1.302 70.322 68.868 0.254 0.000 1.538 424 T HN 0.658 nan 8.240 nan 0.000 0.480 425 W N 1.545 122.893 121.300 0.080 0.000 3.217 425 W HA 0.693 5.354 4.660 0.001 0.000 0.323 425 W C -1.677 174.906 176.519 0.106 0.000 1.216 425 W CA -0.534 56.838 57.345 0.046 0.000 1.194 425 W CB 1.299 30.745 29.460 -0.024 0.000 1.397 425 W HN 0.728 nan 8.180 nan 0.000 0.537 426 N N 2.942 121.186 118.700 -0.761 0.000 2.242 426 N HA 0.141 4.882 4.740 0.001 0.000 0.292 426 N C 0.096 174.723 175.510 -1.471 0.000 1.125 426 N CA -0.277 52.344 53.050 -0.715 0.000 0.783 426 N CB 2.250 40.529 38.487 -0.346 0.000 1.558 426 N HN 0.661 nan 8.380 nan 0.000 0.472 427 E N 0.779 120.439 120.200 -0.900 0.000 2.118 427 E HA -0.144 4.207 4.350 0.001 0.000 0.195 427 E C 0.229 176.582 176.600 -0.411 0.000 0.992 427 E CA 1.751 57.781 56.400 -0.617 0.000 0.804 427 E CB 0.199 29.854 29.700 -0.075 0.000 0.741 427 E HN 0.542 nan 8.360 nan 0.000 0.458 428 D N -0.863 119.339 120.400 -0.330 0.000 2.355 428 D HA 0.054 4.694 4.640 0.001 0.000 0.206 428 D C 0.950 177.128 176.300 -0.204 0.000 1.010 428 D CA 0.564 54.447 54.000 -0.195 0.000 0.875 428 D CB 0.324 41.049 40.800 -0.124 0.000 0.966 428 D HN 0.127 nan 8.370 nan 0.000 0.512 429 K N -0.008 120.215 120.400 -0.294 0.000 2.402 429 K HA 0.350 4.670 4.320 0.001 0.000 0.204 429 K C 1.093 177.542 176.600 -0.252 0.000 1.056 429 K CA 0.265 56.422 56.287 -0.216 0.000 1.069 429 K CB 2.194 34.599 32.500 -0.159 0.000 0.888 429 K HN 0.042 nan 8.250 nan 0.000 0.546 430 G N 2.647 111.165 108.800 -0.470 0.000 2.528 430 G HA2 -0.349 3.612 3.960 0.001 0.000 0.262 430 G HA3 -0.349 3.612 3.960 0.001 0.000 0.262 430 G C -0.561 174.171 174.900 -0.281 0.000 1.200 430 G CA -0.247 44.612 45.100 -0.401 0.000 0.951 430 G HN 0.303 nan 8.290 nan 0.000 0.566 431 R N 0.185 120.693 120.500 0.014 0.000 2.484 431 R HA 0.435 4.775 4.340 0.001 0.000 0.293 431 R C 0.561 176.860 176.300 -0.001 0.000 1.023 431 R CA 0.724 56.862 56.100 0.065 0.000 1.037 431 R CB 0.379 30.707 30.300 0.045 0.000 0.951 431 R HN 1.305 nan 8.270 nan 0.000 0.418 432 V N 1.201 121.133 119.914 0.031 0.000 3.159 432 V HA 0.571 4.692 4.120 0.001 0.000 0.308 432 V C -0.399 175.723 176.094 0.045 0.000 1.190 432 V CA -1.156 61.153 62.300 0.015 0.000 1.037 432 V CB 2.042 33.855 31.823 -0.017 0.000 1.060 432 V HN 0.567 nan 8.190 nan 0.000 0.437 433 I N 2.081 122.655 120.570 0.005 0.000 2.359 433 I HA 0.657 4.828 4.170 0.001 0.000 0.294 433 I C -0.626 175.503 176.117 0.021 0.000 0.987 433 I CA 0.228 61.526 61.300 -0.003 0.000 1.225 433 I CB 1.485 39.399 38.000 -0.144 0.000 1.366 433 I HN 0.797 nan 8.210 nan 0.000 0.466 434 D N 5.685 126.121 120.400 0.060 0.000 2.559 434 D HA 0.547 5.187 4.640 0.001 0.000 0.250 434 D C -1.259 175.102 176.300 0.102 0.000 1.135 434 D CA -0.367 53.682 54.000 0.081 0.000 0.955 434 D CB 2.340 43.196 40.800 0.092 0.000 1.442 434 D HN 0.060 nan 8.370 nan 0.000 0.471 435 I N 1.594 122.246 120.570 0.136 0.000 2.474 435 I HA 0.446 4.616 4.170 0.001 0.000 0.294 435 I C -0.483 175.768 176.117 0.224 0.000 1.005 435 I CA -0.789 60.624 61.300 0.188 0.000 1.113 435 I CB 1.432 39.595 38.000 0.271 0.000 1.289 435 I HN 0.173 nan 8.210 nan 0.000 0.436 436 V N 5.021 125.099 119.914 0.273 0.000 2.789 436 V HA 0.691 4.811 4.120 0.001 0.000 0.311 436 V C -0.262 176.088 176.094 0.426 0.000 1.073 436 V CA -0.599 61.915 62.300 0.356 0.000 0.921 436 V CB 2.200 34.282 31.823 0.432 0.000 1.009 436 V HN 1.002 nan 8.190 nan 0.000 0.426 437 C N 1.358 120.786 119.300 0.214 0.000 3.241 437 C HA 0.924 5.384 4.460 0.001 0.000 0.312 437 C C -0.582 174.021 174.990 -0.644 0.000 1.350 437 C CA -1.063 57.869 59.018 -0.143 0.000 1.415 437 C CB 0.898 28.717 27.740 0.133 0.000 1.770 437 C HN 1.157 nan 8.230 nan 0.000 0.466 438 C N 2.182 120.831 119.300 -1.085 0.000 2.608 438 C HA 0.788 5.248 4.460 0.001 0.000 0.325 438 C C -1.595 172.995 174.990 -0.666 0.000 1.147 438 C CA 0.172 58.508 59.018 -1.136 0.000 1.359 438 C CB 0.902 27.569 27.740 -1.788 0.000 1.912 438 C HN 1.073 nan 8.230 nan 0.000 0.466 439 D N 4.678 124.841 120.400 -0.396 0.000 2.440 439 D HA 0.286 4.927 4.640 0.001 0.000 0.252 439 D C -0.005 176.259 176.300 -0.060 0.000 1.180 439 D CA 0.083 54.019 54.000 -0.107 0.000 0.894 439 D CB 0.275 41.088 40.800 0.021 0.000 1.111 439 D HN 0.623 nan 8.370 nan 0.000 0.544 440 N N 3.788 122.457 118.700 -0.052 0.000 2.689 440 N HA -0.285 4.455 4.740 0.001 0.000 0.263 440 N C 0.104 175.627 175.510 0.022 0.000 0.987 440 N CA 0.820 53.837 53.050 -0.055 0.000 0.782 440 N CB -1.030 37.387 38.487 -0.118 0.000 0.903 440 N HN 0.656 nan 8.380 nan 0.000 0.547 441 F N -2.033 117.717 119.950 -0.332 0.000 2.794 441 F HA -0.312 4.216 4.527 0.001 0.000 0.335 441 F C 0.387 175.934 175.800 -0.423 0.000 0.653 441 F CA 1.288 59.044 58.000 -0.407 0.000 1.266 441 F CB -1.536 37.398 39.000 -0.110 0.000 1.666 441 F HN 0.578 nan 8.300 nan 0.000 0.314 442 H N 1.159 119.953 119.070 -0.460 0.000 2.594 442 H HA 0.536 5.093 4.556 0.001 0.000 0.304 442 H C -0.518 174.509 175.328 -0.503 0.000 1.068 442 H CA -0.306 55.523 56.048 -0.367 0.000 1.308 442 H CB 0.168 29.837 29.762 -0.155 0.000 1.409 442 H HN 0.026 nan 8.280 nan 0.000 0.460 443 F N 3.369 122.873 119.950 -0.743 0.000 2.399 443 F HA 0.324 4.851 4.527 0.001 0.000 0.334 443 F C 0.273 175.768 175.800 -0.508 0.000 1.097 443 F CA -0.311 57.374 58.000 -0.525 0.000 1.076 443 F CB 1.389 40.170 39.000 -0.366 0.000 1.162 443 F HN 0.601 nan 8.300 nan 0.000 0.495 444 D N 1.715 122.070 120.400 -0.075 0.000 2.609 444 D HA 0.497 5.138 4.640 0.001 0.000 0.239 444 D C -1.290 175.061 176.300 0.085 0.000 1.229 444 D CA -0.530 53.464 54.000 -0.009 0.000 0.808 444 D CB 1.707 42.522 40.800 0.026 0.000 1.448 444 D HN 0.441 nan 8.370 nan 0.000 0.433 445 M N 3.286 122.935 119.600 0.082 0.000 1.960 445 M HA 0.262 4.743 4.480 0.001 0.000 0.271 445 M C -1.919 174.433 176.300 0.086 0.000 0.862 445 M CA -1.477 53.887 55.300 0.107 0.000 0.854 445 M CB 2.312 34.964 32.600 0.086 0.000 1.575 445 M HN 0.192 nan 8.290 nan 0.000 0.375 446 P HA -0.080 nan 4.420 nan 0.000 0.223 446 P C 1.045 178.375 177.300 0.049 0.000 1.151 446 P CA 1.058 64.194 63.100 0.060 0.000 0.787 446 P CB 0.307 32.032 31.700 0.041 0.000 0.788 447 L N -1.306 119.958 121.223 0.067 0.000 2.291 447 L HA -0.069 4.272 4.340 0.001 0.000 0.214 447 L C 1.568 178.459 176.870 0.035 0.000 1.120 447 L CA 0.791 55.664 54.840 0.054 0.000 0.799 447 L CB -0.850 41.250 42.059 0.068 0.000 0.925 447 L HN -0.013 nan 8.230 nan 0.000 0.446 448 K N -0.130 120.290 120.400 0.033 0.000 1.699 448 K HA -0.366 3.954 4.320 0.001 0.000 0.127 448 K C 1.469 178.073 176.600 0.007 0.000 1.157 448 K CA 2.011 58.308 56.287 0.016 0.000 0.341 448 K CB -1.431 31.075 32.500 0.011 0.000 0.645 448 K HN 0.349 nan 8.250 nan 0.000 0.848 449 S N 1.213 116.913 115.700 -0.001 0.000 2.527 449 S HA 0.022 4.493 4.470 0.001 0.000 0.222 449 S C 0.797 175.396 174.600 -0.003 0.000 0.985 449 S CA 0.595 58.790 58.200 -0.010 0.000 0.921 449 S CB -0.080 63.111 63.200 -0.015 0.000 0.772 449 S HN 0.369 nan 8.310 nan 0.000 0.529 450 N N 3.345 122.051 118.700 0.009 0.000 2.542 450 N HA 0.120 4.861 4.740 0.001 0.000 0.234 450 N C 0.498 176.023 175.510 0.025 0.000 1.257 450 N CA 0.221 53.282 53.050 0.018 0.000 0.883 450 N CB 0.190 38.692 38.487 0.026 0.000 1.197 450 N HN 0.618 nan 8.380 nan 0.000 0.488 451 V N -1.513 118.409 119.914 0.014 0.000 3.237 451 V HA 0.251 4.372 4.120 0.001 0.000 0.305 451 V C 0.645 176.741 176.094 0.003 0.000 1.096 451 V CA -0.617 61.691 62.300 0.012 0.000 1.130 451 V CB 0.528 32.352 31.823 0.003 0.000 1.048 451 V HN -0.035 nan 8.190 nan 0.000 0.484 452 I N 3.537 124.096 120.570 -0.018 0.000 2.330 452 I HA 0.467 4.638 4.170 0.001 0.000 0.289 452 I C -2.325 173.788 176.117 -0.005 0.000 1.001 452 I CA -1.948 59.334 61.300 -0.030 0.000 1.193 452 I CB 1.442 39.343 38.000 -0.164 0.000 1.345 452 I HN 0.547 nan 8.210 nan 0.000 0.461 453 P HA 0.253 nan 4.420 nan 0.000 0.271 453 P C -0.631 176.709 177.300 0.066 0.000 1.216 453 P CA -0.068 63.044 63.100 0.021 0.000 0.776 453 P CB 0.548 32.255 31.700 0.012 0.000 0.881 454 I N 4.436 124.995 120.570 -0.018 0.000 2.339 454 I HA 0.293 4.463 4.170 0.001 0.000 0.290 454 I C -2.036 173.935 176.117 -0.244 0.000 0.994 454 I CA -2.649 58.541 61.300 -0.184 0.000 1.191 454 I CB 1.230 39.141 38.000 -0.148 0.000 1.343 454 I HN 0.139 nan 8.210 nan 0.000 0.458 455 P HA 0.060 nan 4.420 nan 0.000 0.266 455 P C 0.250 177.432 177.300 -0.196 0.000 1.195 455 P CA -0.161 62.800 63.100 -0.231 0.000 0.768 455 P CB 0.616 32.167 31.700 -0.248 0.000 0.838 456 K N 1.719 122.050 120.400 -0.114 0.000 2.209 456 K HA -0.146 4.175 4.320 0.001 0.000 0.204 456 K C 1.186 177.731 176.600 -0.092 0.000 1.048 456 K CA 1.526 57.761 56.287 -0.088 0.000 0.940 456 K CB -0.179 32.289 32.500 -0.054 0.000 0.729 456 K HN 0.642 nan 8.250 nan 0.000 0.451 457 D N 0.364 120.708 120.400 -0.092 0.000 2.340 457 D HA -0.047 4.593 4.640 0.001 0.000 0.220 457 D C 0.174 176.428 176.300 -0.076 0.000 1.039 457 D CA 0.093 54.053 54.000 -0.067 0.000 0.866 457 D CB 0.085 40.861 40.800 -0.042 0.000 0.913 457 D HN -0.177 nan 8.370 nan 0.000 0.523 458 V N 1.650 121.481 119.914 -0.139 0.000 2.455 458 V HA 0.031 4.152 4.120 0.001 0.000 0.273 458 V C 1.483 177.524 176.094 -0.089 0.000 1.045 458 V CA -0.112 62.110 62.300 -0.131 0.000 0.976 458 V CB 1.290 32.919 31.823 -0.322 0.000 0.993 458 V HN 0.128 nan 8.190 nan 0.000 0.475 459 E N 3.737 123.924 120.200 -0.021 0.000 2.038 459 E HA 0.019 4.370 4.350 0.001 0.000 0.190 459 E C -0.370 176.109 176.600 -0.201 0.000 0.967 459 E CA 0.426 56.775 56.400 -0.086 0.000 0.816 459 E CB 0.248 29.956 29.700 0.013 0.000 0.784 459 E HN 0.668 nan 8.360 nan 0.000 0.456 460 Y N 0.390 120.696 120.300 0.009 0.000 2.335 460 Y HA 0.309 4.859 4.550 0.001 0.000 0.339 460 Y C -0.497 175.410 175.900 0.012 0.000 0.987 460 Y CA -0.759 57.315 58.100 -0.043 0.000 1.140 460 Y CB 1.063 39.463 38.460 -0.101 0.000 1.173 460 Y HN 0.028 nan 8.280 nan 0.000 0.486 461 I N 4.160 124.806 120.570 0.127 0.000 2.315 461 I HA 0.166 4.336 4.170 0.001 0.000 0.291 461 I C 0.042 176.264 176.117 0.175 0.000 1.006 461 I CA -0.403 61.055 61.300 0.262 0.000 1.265 461 I CB 0.339 38.499 38.000 0.267 0.000 1.387 461 I HN 0.496 nan 8.210 nan 0.000 0.475 462 H N 7.029 126.235 119.070 0.228 0.000 2.502 462 H HA 0.600 5.157 4.556 0.001 0.000 0.327 462 H C -0.667 174.892 175.328 0.385 0.000 1.099 462 H CA -0.453 55.728 56.048 0.221 0.000 1.323 462 H CB 1.386 31.116 29.762 -0.054 0.000 1.450 462 H HN 0.360 nan 8.280 nan 0.000 0.502 463 L N 2.643 124.253 121.223 0.644 0.000 2.422 463 L HA 0.469 4.809 4.340 0.001 0.000 0.264 463 L C -0.319 176.916 176.870 0.609 0.000 0.984 463 L CA -0.629 54.594 54.840 0.637 0.000 0.819 463 L CB 2.604 44.917 42.059 0.423 0.000 1.330 463 L HN 0.441 nan 8.230 nan 0.000 0.410 464 K N 1.662 122.364 120.400 0.504 0.000 2.508 464 K HA 0.756 5.077 4.320 0.001 0.000 0.260 464 K C -2.142 174.605 176.600 0.245 0.000 0.949 464 K CA -0.600 55.793 56.287 0.177 0.000 0.834 464 K CB 3.302 35.547 32.500 -0.425 0.000 1.365 464 K HN 0.341 nan 8.250 nan 0.000 0.437 465 V N 2.638 122.621 119.914 0.117 0.000 2.656 465 V HA 0.441 4.561 4.120 0.001 0.000 0.307 465 V C -1.559 174.420 176.094 -0.191 0.000 1.051 465 V CA -0.426 61.858 62.300 -0.027 0.000 0.893 465 V CB 1.884 33.669 31.823 -0.064 0.000 0.999 465 V HN 0.881 nan 8.190 nan 0.000 0.426 466 E N 4.827 124.890 120.200 -0.228 0.000 2.114 466 E HA 0.477 4.828 4.350 0.001 0.000 0.266 466 E C -1.171 175.216 176.600 -0.355 0.000 0.896 466 E CA -0.488 55.735 56.400 -0.296 0.000 0.750 466 E CB 2.157 31.732 29.700 -0.208 0.000 1.121 466 E HN 0.528 nan 8.360 nan 0.000 0.413 467 V N 4.506 124.019 119.914 -0.668 0.000 2.383 467 V HA 0.310 4.431 4.120 0.001 0.000 0.275 467 V C 0.248 176.085 176.094 -0.428 0.000 1.036 467 V CA -0.563 61.311 62.300 -0.711 0.000 0.889 467 V CB 0.911 31.764 31.823 -1.617 0.000 0.985 467 V HN 0.590 nan 8.190 nan 0.000 0.459 468 R N 4.119 124.506 120.500 -0.188 0.000 2.681 468 R HA 0.487 4.828 4.340 0.001 0.000 0.277 468 R C 0.193 176.476 176.300 -0.029 0.000 1.563 468 R CA -0.259 55.782 56.100 -0.099 0.000 1.673 468 R CB 0.808 31.056 30.300 -0.087 0.000 1.258 468 R HN 0.620 nan 8.270 nan 0.000 0.650 469 V N 0.621 120.543 119.914 0.015 0.000 0.683 469 V HA -0.478 3.643 4.120 0.001 0.000 0.092 469 V C 2.117 178.218 176.094 0.012 0.000 0.907 469 V CA 2.294 64.604 62.300 0.017 0.000 3.123 469 V CB -0.833 30.973 31.823 -0.028 0.000 0.264 469 V HN 0.616 nan 8.190 nan 0.000 0.215 470 E N 2.489 122.672 120.200 -0.028 0.000 2.274 470 E HA -0.009 4.342 4.350 0.001 0.000 0.194 470 E C 0.824 177.434 176.600 0.017 0.000 0.996 470 E CA 1.572 57.959 56.400 -0.022 0.000 0.840 470 E CB -0.377 29.288 29.700 -0.057 0.000 0.772 470 E HN 1.107 nan 8.360 nan 0.000 0.491 471 T N -1.356 113.213 114.554 0.025 0.000 2.901 471 T HA 0.594 4.945 4.350 0.001 0.000 0.293 471 T C -0.701 174.051 174.700 0.087 0.000 1.084 471 T CA -0.983 61.123 62.100 0.011 0.000 1.008 471 T CB 1.648 70.473 68.868 -0.072 0.000 1.170 471 T HN 0.242 nan 8.240 nan 0.000 0.509 472 Y N -1.205 119.098 120.300 0.005 0.000 2.597 472 Y HA 0.816 5.367 4.550 0.001 0.000 0.340 472 Y C -0.980 174.892 175.900 -0.047 0.000 1.097 472 Y CA -1.184 56.864 58.100 -0.087 0.000 1.037 472 Y CB 1.777 40.149 38.460 -0.147 0.000 1.305 472 Y HN 0.991 nan 8.280 nan 0.000 0.463 473 Q N 1.435 121.251 119.800 0.026 0.000 2.377 473 Q HA 0.464 4.805 4.340 0.001 0.000 0.279 473 Q C -2.216 173.775 176.000 -0.015 0.000 1.049 473 Q CA -0.839 54.971 55.803 0.011 0.000 0.825 473 Q CB 2.404 31.148 28.738 0.010 0.000 1.401 473 Q HN 0.811 nan 8.270 nan 0.000 0.404 474 Y N 0.230 120.707 120.300 0.295 0.000 2.376 474 Y HA 0.592 5.143 4.550 0.001 0.000 0.325 474 Y C 0.122 176.167 175.900 0.240 0.000 1.199 474 Y CA -0.172 58.094 58.100 0.277 0.000 1.206 474 Y CB 2.263 40.928 38.460 0.342 0.000 1.229 474 Y HN 0.487 nan 8.280 nan 0.000 0.480 475 S N 0.864 116.824 115.700 0.433 0.000 2.627 475 S HA 0.658 5.129 4.470 0.001 0.000 0.283 475 S C -1.718 173.242 174.600 0.600 0.000 1.127 475 S CA -0.868 57.572 58.200 0.400 0.000 0.863 475 S CB 1.659 65.017 63.200 0.264 0.000 1.121 475 S HN 0.551 nan 8.310 nan 0.000 0.479 476 Y N -1.025 119.527 120.300 0.419 0.000 2.609 476 Y HA 0.881 5.432 4.550 0.001 0.000 0.342 476 Y C -0.605 175.273 175.900 -0.036 0.000 1.058 476 Y CA -1.027 57.249 58.100 0.294 0.000 1.055 476 Y CB 1.351 39.871 38.460 0.100 0.000 1.292 476 Y HN 0.564 nan 8.280 nan 0.000 0.476 477 S N 1.004 116.526 115.700 -0.298 0.000 2.543 477 S HA 0.506 4.977 4.470 0.001 0.000 0.271 477 S C -1.179 173.337 174.600 -0.140 0.000 1.148 477 S CA -0.623 57.181 58.200 -0.660 0.000 0.914 477 S CB 0.413 62.716 63.200 -1.495 0.000 1.096 477 S HN 0.588 nan 8.310 nan 0.000 0.471 478 F N 2.484 122.432 119.950 -0.004 0.000 2.765 478 F HA 0.248 4.776 4.527 0.001 0.000 0.302 478 F C 1.543 177.367 175.800 0.039 0.000 1.111 478 F CA -0.101 57.957 58.000 0.096 0.000 1.359 478 F CB 0.130 39.196 39.000 0.110 0.000 1.097 478 F HN 0.709 nan 8.300 nan 0.000 0.577 479 D N -2.891 117.515 120.400 0.010 0.000 2.525 479 D HA 0.222 4.862 4.640 0.001 0.000 0.231 479 D C 1.753 177.861 176.300 -0.320 0.000 1.216 479 D CA 0.650 54.612 54.000 -0.062 0.000 0.813 479 D CB -0.068 40.711 40.800 -0.036 0.000 1.108 479 D HN 0.157 nan 8.370 nan 0.000 0.524 480 G N 0.756 109.076 108.800 -0.800 0.000 2.212 480 G HA2 -0.351 3.610 3.960 0.001 0.000 0.266 480 G HA3 -0.351 3.610 3.960 0.001 0.000 0.266 480 G C 0.873 175.462 174.900 -0.517 0.000 0.978 480 G CA 0.809 45.220 45.100 -1.148 0.000 0.632 480 G HN 0.448 nan 8.290 nan 0.000 0.537 481 I N -0.263 120.066 120.570 -0.403 0.000 3.366 481 I HA 0.217 4.387 4.170 0.001 0.000 0.267 481 I C 0.632 176.652 176.117 -0.161 0.000 1.149 481 I CA -0.050 61.151 61.300 -0.164 0.000 1.436 481 I CB 0.023 37.966 38.000 -0.095 0.000 1.379 481 I HN -0.016 nan 8.210 nan 0.000 0.460 482 N N 1.143 119.679 118.700 -0.273 0.000 2.426 482 N HA 0.176 4.916 4.740 0.001 0.000 0.257 482 N C -1.606 173.685 175.510 -0.365 0.000 1.002 482 N CA -0.121 52.816 53.050 -0.189 0.000 0.942 482 N CB 0.906 39.314 38.487 -0.131 0.000 1.112 482 N HN 0.057 nan 8.380 nan 0.000 0.499 483 W N 0.759 121.967 121.300 -0.155 0.000 2.551 483 W HA 0.390 5.051 4.660 0.001 0.000 0.330 483 W C 0.170 176.517 176.519 -0.287 0.000 1.063 483 W CA -0.456 56.759 57.345 -0.217 0.000 1.222 483 W CB 1.223 30.612 29.460 -0.119 0.000 1.349 483 W HN 0.196 nan 8.180 nan 0.000 0.536 484 S N 2.048 117.579 115.700 -0.282 0.000 2.502 484 S HA 0.416 4.886 4.470 0.001 0.000 0.304 484 S C -0.495 174.030 174.600 -0.126 0.000 1.097 484 S CA -1.088 56.931 58.200 -0.302 0.000 1.045 484 S CB 1.181 64.033 63.200 -0.581 0.000 1.019 484 S HN 0.273 nan 8.310 nan 0.000 0.481 485 K N 1.675 122.084 120.400 0.015 0.000 2.298 485 K HA 0.379 4.700 4.320 0.001 0.000 0.280 485 K C -0.743 175.959 176.600 0.170 0.000 1.032 485 K CA -0.321 56.027 56.287 0.101 0.000 0.958 485 K CB 0.659 33.197 32.500 0.064 0.000 0.978 485 K HN 0.300 nan 8.250 nan 0.000 0.472 486 V N 5.432 125.492 119.914 0.243 0.000 2.427 486 V HA 0.182 4.303 4.120 0.001 0.000 0.286 486 V C -1.902 174.298 176.094 0.176 0.000 1.034 486 V CA -1.735 60.718 62.300 0.254 0.000 0.893 486 V CB 1.357 33.377 31.823 0.329 0.000 0.982 486 V HN 0.736 nan 8.190 nan 0.000 0.452 487 P HA 0.337 nan 4.420 nan 0.000 0.230 487 P C -0.617 176.689 177.300 0.010 0.000 1.791 487 P CA 0.113 63.243 63.100 0.051 0.000 1.020 487 P CB 0.372 32.095 31.700 0.037 0.000 1.977 488 A N 3.546 126.366 122.820 0.000 0.000 2.446 488 A HA 0.584 4.904 4.320 0.001 0.000 0.282 488 A C -0.523 176.865 177.584 -0.327 0.000 1.102 488 A CA -0.616 51.312 52.037 -0.181 0.000 0.737 488 A CB 0.827 19.805 19.000 -0.037 0.000 1.212 488 A HN 0.261 nan 8.150 nan 0.000 0.434 489 I N 2.370 122.665 120.570 -0.459 0.000 2.377 489 I HA 0.499 4.670 4.170 0.001 0.000 0.293 489 I C -0.898 174.806 176.117 -0.689 0.000 0.987 489 I CA -0.402 60.647 61.300 -0.419 0.000 1.185 489 I CB 1.394 39.253 38.000 -0.234 0.000 1.341 489 I HN 0.561 nan 8.210 nan 0.000 0.455 490 F N 3.306 122.976 119.950 -0.467 0.000 2.507 490 F HA 0.411 4.938 4.527 0.001 0.000 0.327 490 F C 0.379 175.867 175.800 -0.521 0.000 1.068 490 F CA -0.763 56.876 58.000 -0.602 0.000 0.965 490 F CB 1.267 39.624 39.000 -1.072 0.000 1.192 490 F HN 0.362 nan 8.300 nan 0.000 0.476 491 E N 0.577 120.703 120.200 -0.124 0.000 2.167 491 E HA 0.208 4.559 4.350 0.001 0.000 0.284 491 E C 0.224 176.863 176.600 0.064 0.000 1.016 491 E CA -0.225 56.121 56.400 -0.090 0.000 0.817 491 E CB 1.332 30.920 29.700 -0.187 0.000 1.080 491 E HN 0.589 nan 8.360 nan 0.000 0.397 492 S N 3.225 119.053 115.700 0.214 0.000 2.382 492 S HA -0.222 4.248 4.470 0.001 0.000 0.228 492 S C 1.849 176.507 174.600 0.097 0.000 1.027 492 S CA 1.344 59.776 58.200 0.386 0.000 0.991 492 S CB -0.182 63.293 63.200 0.459 0.000 0.823 492 S HN 0.582 nan 8.310 nan 0.000 0.469 493 R N 1.804 122.254 120.500 -0.083 0.000 2.200 493 R HA -0.031 4.309 4.340 0.001 0.000 0.234 493 R C 1.438 177.516 176.300 -0.370 0.000 1.127 493 R CA 1.331 57.284 56.100 -0.244 0.000 0.989 493 R CB -0.397 29.536 30.300 -0.612 0.000 0.869 493 R HN 0.274 nan 8.270 nan 0.000 0.459 494 K N 0.832 120.958 120.400 -0.457 0.000 2.486 494 K HA 0.100 4.421 4.320 0.001 0.000 0.194 494 K C 0.587 177.069 176.600 -0.197 0.000 1.033 494 K CA 0.421 56.296 56.287 -0.686 0.000 1.004 494 K CB 0.240 32.290 32.500 -0.750 0.000 0.798 494 K HN 0.279 nan 8.250 nan 0.000 0.495 495 L N 1.754 122.921 121.223 -0.093 0.000 3.084 495 L HA 0.138 4.479 4.340 0.001 0.000 0.238 495 L C -0.060 176.813 176.870 0.004 0.000 1.327 495 L CA -0.497 54.318 54.840 -0.042 0.000 1.094 495 L CB 0.200 42.188 42.059 -0.118 0.000 1.477 495 L HN -0.001 nan 8.230 nan 0.000 0.514 496 S N -3.860 111.805 115.700 -0.058 0.000 2.568 496 S HA 0.362 4.832 4.470 0.001 0.000 0.293 496 S C 0.343 174.904 174.600 -0.066 0.000 1.089 496 S CA -0.802 57.444 58.200 0.076 0.000 0.945 496 S CB 2.249 65.581 63.200 0.220 0.000 1.077 496 S HN 0.112 nan 8.310 nan 0.000 0.485 497 D N 1.695 122.174 120.400 0.131 0.000 2.158 497 D HA -0.118 4.522 4.640 0.001 0.000 0.197 497 D C 0.881 177.210 176.300 0.049 0.000 0.995 497 D CA 1.921 56.009 54.000 0.146 0.000 0.846 497 D CB -0.402 40.564 40.800 0.277 0.000 0.941 497 D HN 0.787 nan 8.370 nan 0.000 0.456 498 D N -1.455 118.999 120.400 0.090 0.000 2.277 498 D HA -0.095 4.545 4.640 0.001 0.000 0.208 498 D C 1.546 177.891 176.300 0.076 0.000 0.962 498 D CA 0.420 54.428 54.000 0.014 0.000 0.865 498 D CB -0.059 40.721 40.800 -0.034 0.000 0.939 498 D HN 0.275 nan 8.370 nan 0.000 0.510 499 Y N 1.362 121.710 120.300 0.079 0.000 2.389 499 Y HA 0.094 4.645 4.550 0.001 0.000 0.292 499 Y C 0.744 176.568 175.900 -0.127 0.000 1.117 499 Y CA -0.052 58.089 58.100 0.069 0.000 1.195 499 Y CB 0.150 38.630 38.460 0.033 0.000 1.076 499 Y HN -0.155 nan 8.280 nan 0.000 0.548 500 V N 2.465 122.240 119.914 -0.231 0.000 2.740 500 V HA 0.133 4.254 4.120 0.001 0.000 0.303 500 V C -0.114 175.788 176.094 -0.320 0.000 1.054 500 V CA -0.810 61.291 62.300 -0.331 0.000 1.106 500 V CB 0.423 31.959 31.823 -0.478 0.000 0.957 500 V HN 0.446 nan 8.190 nan 0.000 0.486 501 Q N 3.533 123.166 119.800 -0.279 0.000 2.312 501 Q HA 0.719 5.060 4.340 0.001 0.000 0.236 501 Q C 0.229 176.145 176.000 -0.140 0.000 0.965 501 Q CA -0.109 55.561 55.803 -0.221 0.000 0.894 501 Q CB 1.335 29.961 28.738 -0.186 0.000 1.225 501 Q HN 2.026 nan 8.270 nan 0.000 0.478 502 G N -0.549 108.188 108.800 -0.105 0.000 2.555 502 G HA2 -0.037 3.924 3.960 0.001 0.000 0.686 502 G HA3 -0.037 3.924 3.960 0.001 0.000 0.686 502 G C 0.282 175.199 174.900 0.028 0.000 1.275 502 G CA -0.379 44.700 45.100 -0.035 0.000 0.871 502 G HN 0.885 nan 8.290 nan 0.000 0.603 503 G N -0.456 108.394 108.800 0.083 0.000 2.471 503 G HA2 0.466 4.427 3.960 0.001 0.000 0.219 503 G HA3 0.466 4.427 3.960 0.001 0.000 0.219 503 G C 1.000 175.956 174.900 0.094 0.000 1.125 503 G CA 1.380 46.587 45.100 0.178 0.000 0.775 503 G HN 1.755 nan 8.290 nan 0.000 0.548 504 G N -0.019 108.734 108.800 -0.078 0.000 2.437 504 G HA2 0.501 4.461 3.960 0.001 0.000 0.315 504 G HA3 0.501 4.461 3.960 0.001 0.000 0.315 504 G C -0.595 173.920 174.900 -0.641 0.000 1.210 504 G CA -0.836 43.928 45.100 -0.560 0.000 0.943 504 G HN 0.393 nan 8.290 nan 0.000 0.471 505 F N 0.689 119.747 119.950 -1.486 0.000 2.541 505 F HA 0.504 5.032 4.527 0.001 0.000 0.368 505 F C -0.856 174.646 175.800 -0.496 0.000 1.530 505 F CA -1.911 55.673 58.000 -0.694 0.000 1.102 505 F CB 0.218 38.927 39.000 -0.486 0.000 1.382 505 F HN 0.200 nan 8.300 nan 0.000 0.541 506 F N 0.182 119.843 119.950 -0.481 0.000 2.729 506 F HA 0.244 4.771 4.527 0.001 0.000 0.315 506 F C 1.632 176.902 175.800 -0.883 0.000 1.102 506 F CA -0.201 57.247 58.000 -0.920 0.000 1.204 506 F CB -0.159 37.837 39.000 -1.674 0.000 1.052 506 F HN 0.292 nan 8.300 nan 0.000 0.551 507 T N -2.227 112.008 114.554 -0.532 0.000 2.947 507 T HA 0.782 5.133 4.350 0.001 0.000 0.180 507 T C 0.877 175.155 174.700 -0.704 0.000 0.750 507 T CA 0.244 61.737 62.100 -1.010 0.000 1.687 507 T CB 0.303 68.526 68.868 -1.075 0.000 2.488 507 T HN 0.245 nan 8.240 nan 0.000 0.417 508 G N 0.054 108.387 108.800 -0.779 0.000 2.352 508 G HA2 0.526 4.486 3.960 0.001 0.000 0.302 508 G HA3 0.526 4.486 3.960 0.001 0.000 0.302 508 G C -1.055 173.685 174.900 -0.266 0.000 1.370 508 G CA -0.511 44.437 45.100 -0.254 0.000 0.918 508 G HN 0.940 nan 8.290 nan 0.000 0.610 509 A N -0.397 122.309 122.820 -0.189 0.000 2.440 509 A HA 0.749 5.069 4.320 0.001 0.000 0.251 509 A C -0.724 176.674 177.584 -0.310 0.000 1.089 509 A CA 0.328 52.103 52.037 -0.438 0.000 0.779 509 A CB -0.006 18.144 19.000 -1.417 0.000 1.022 509 A HN 0.979 nan 8.150 nan 0.000 0.492 510 F N 0.545 120.409 119.950 -0.142 0.000 2.598 510 F HA 0.636 5.163 4.527 0.001 0.000 0.327 510 F C 0.138 176.249 175.800 0.518 0.000 1.057 510 F CA -0.710 57.361 58.000 0.117 0.000 0.957 510 F CB 2.289 41.235 39.000 -0.090 0.000 1.278 510 F HN 0.416 nan 8.300 nan 0.000 0.484 511 V N 1.202 121.520 119.914 0.673 0.000 2.638 511 V HA 0.964 5.085 4.120 0.001 0.000 0.306 511 V C -0.650 175.798 176.094 0.589 0.000 1.052 511 V CA 0.091 62.815 62.300 0.708 0.000 0.885 511 V CB 1.291 33.531 31.823 0.695 0.000 0.999 511 V HN 0.948 nan 8.190 nan 0.000 0.424 512 G N 5.326 114.508 108.800 0.636 0.000 2.619 512 G HA2 0.642 4.603 3.960 0.001 0.000 0.305 512 G HA3 0.642 4.603 3.960 0.001 0.000 0.305 512 G C -1.447 173.721 174.900 0.448 0.000 1.330 512 G CA -0.245 45.119 45.100 0.439 0.000 0.789 512 G HN 1.332 nan 8.290 nan 0.000 0.487 513 I N -1.078 119.599 120.570 0.179 0.000 2.608 513 I HA 0.778 4.949 4.170 0.001 0.000 0.295 513 I C -1.176 174.877 176.117 -0.106 0.000 1.049 513 I CA -1.134 60.125 61.300 -0.069 0.000 1.063 513 I CB 2.520 40.170 38.000 -0.584 0.000 1.248 513 I HN 0.648 nan 8.210 nan 0.000 0.424 514 N N 4.276 122.901 118.700 -0.125 0.000 2.610 514 N HA 0.480 5.220 4.740 0.001 0.000 0.264 514 N C -1.911 173.556 175.510 -0.071 0.000 1.348 514 N CA -0.572 52.402 53.050 -0.127 0.000 0.819 514 N CB 2.179 40.443 38.487 -0.371 0.000 1.521 514 N HN 0.867 nan 8.380 nan 0.000 0.497 515 C N 1.392 120.634 119.300 -0.097 0.000 2.446 515 C HA 0.676 5.137 4.460 0.001 0.000 0.329 515 C C -0.878 174.052 174.990 -0.099 0.000 1.166 515 C CA -0.604 58.322 59.018 -0.152 0.000 1.341 515 C CB -0.789 26.868 27.740 -0.138 0.000 1.970 515 C HN 0.669 nan 8.230 nan 0.000 0.452 516 I N 5.118 125.636 120.570 -0.086 0.000 2.354 516 I HA 0.393 4.564 4.170 0.001 0.000 0.292 516 I C -0.700 175.457 176.117 0.067 0.000 0.989 516 I CA 0.264 61.552 61.300 -0.020 0.000 1.188 516 I CB 1.463 39.441 38.000 -0.036 0.000 1.342 516 I HN 0.576 nan 8.210 nan 0.000 0.457 517 D N 7.047 127.483 120.400 0.060 0.000 2.346 517 D HA 0.261 4.902 4.640 0.001 0.000 0.255 517 D C 0.775 177.090 176.300 0.024 0.000 1.276 517 D CA -0.377 53.663 54.000 0.067 0.000 0.941 517 D CB 1.019 41.870 40.800 0.085 0.000 1.199 517 D HN 0.244 nan 8.370 nan 0.000 0.537 518 I N 1.845 122.425 120.570 0.017 0.000 2.567 518 I HA -0.177 3.993 4.170 0.001 0.000 0.257 518 I C 2.354 178.460 176.117 -0.017 0.000 1.184 518 I CA 1.103 62.406 61.300 0.005 0.000 1.451 518 I CB -1.498 36.516 38.000 0.023 0.000 1.089 518 I HN 0.451 nan 8.210 nan 0.000 0.441 519 T N -1.353 113.177 114.554 -0.039 0.000 2.915 519 T HA 0.028 4.379 4.350 0.001 0.000 0.269 519 T C 1.702 176.373 174.700 -0.048 0.000 1.071 519 T CA 1.237 63.300 62.100 -0.061 0.000 1.132 519 T CB -0.232 68.576 68.868 -0.100 0.000 0.878 519 T HN 0.504 nan 8.240 nan 0.000 0.479 520 G N 1.230 110.010 108.800 -0.033 0.000 2.176 520 G HA2 -0.234 3.727 3.960 0.001 0.000 0.232 520 G HA3 -0.234 3.727 3.960 0.001 0.000 0.232 520 G C 0.714 175.595 174.900 -0.032 0.000 0.986 520 G CA 0.143 45.225 45.100 -0.031 0.000 0.643 520 G HN 0.492 nan 8.290 nan 0.000 0.522 521 N N 1.537 120.217 118.700 -0.034 0.000 2.461 521 N HA 0.025 4.765 4.740 0.001 0.000 0.188 521 N C 1.038 176.547 175.510 -0.002 0.000 1.134 521 N CA 0.664 53.693 53.050 -0.034 0.000 0.878 521 N CB -0.311 38.139 38.487 -0.061 0.000 0.972 521 N HN 0.518 nan 8.380 nan 0.000 0.456 522 N N 0.777 119.492 118.700 0.025 0.000 2.716 522 N HA -0.223 4.518 4.740 0.001 0.000 0.250 522 N C -0.152 175.450 175.510 0.154 0.000 1.033 522 N CA 0.648 53.748 53.050 0.083 0.000 0.727 522 N CB -1.325 37.187 38.487 0.041 0.000 0.950 522 N HN 0.468 nan 8.380 nan 0.000 0.541 523 K N 1.525 122.002 120.400 0.127 0.000 2.472 523 K HA 0.056 4.377 4.320 0.001 0.000 0.280 523 K C -2.127 174.627 176.600 0.258 0.000 1.028 523 K CA -0.700 55.676 56.287 0.149 0.000 1.045 523 K CB 0.646 33.191 32.500 0.075 0.000 0.902 523 K HN 0.009 nan 8.250 nan 0.000 0.478 524 P HA 0.150 nan 4.420 nan 0.000 0.284 524 P C -1.596 175.801 177.300 0.161 0.000 1.253 524 P CA -0.498 62.645 63.100 0.071 0.000 0.800 524 P CB 1.614 33.306 31.700 -0.013 0.000 0.961 525 A N 2.802 125.614 122.820 -0.014 0.000 2.330 525 A HA 0.521 4.842 4.320 0.001 0.000 0.313 525 A C -0.777 176.655 177.584 -0.254 0.000 1.124 525 A CA -0.552 51.390 52.037 -0.158 0.000 0.774 525 A CB 0.637 19.304 19.000 -0.556 0.000 1.198 525 A HN 0.388 nan 8.150 nan 0.000 0.465 526 D N 1.887 122.111 120.400 -0.294 0.000 2.280 526 D HA 0.485 5.126 4.640 0.001 0.000 0.236 526 D C -1.157 175.035 176.300 -0.179 0.000 1.082 526 D CA 0.456 54.368 54.000 -0.146 0.000 0.834 526 D CB 0.913 41.694 40.800 -0.031 0.000 1.100 526 D HN 0.304 nan 8.370 nan 0.000 0.486 527 F N 1.145 121.112 119.950 0.029 0.000 2.404 527 F HA 0.135 4.663 4.527 0.001 0.000 0.354 527 F C 1.599 177.542 175.800 0.239 0.000 1.122 527 F CA -0.817 57.251 58.000 0.113 0.000 1.080 527 F CB 1.506 40.530 39.000 0.041 0.000 1.131 527 F HN 0.180 nan 8.300 nan 0.000 0.471 528 D N 2.308 122.908 120.400 0.334 0.000 2.194 528 D HA -0.065 4.576 4.640 0.001 0.000 0.204 528 D C -0.471 176.128 176.300 0.498 0.000 0.964 528 D CA 1.416 55.561 54.000 0.242 0.000 0.846 528 D CB 0.234 40.923 40.800 -0.185 0.000 0.962 528 D HN 0.433 nan 8.370 nan 0.000 0.490 529 Y N -3.288 117.293 120.300 0.468 0.000 2.713 529 Y HA 0.504 5.055 4.550 0.001 0.000 0.335 529 Y C -1.969 174.150 175.900 0.364 0.000 1.222 529 Y CA -1.974 56.268 58.100 0.236 0.000 1.061 529 Y CB 0.553 39.086 38.460 0.122 0.000 1.314 529 Y HN -0.194 nan 8.280 nan 0.000 0.453 530 F N 1.881 121.935 119.950 0.174 0.000 2.579 530 F HA 0.708 5.235 4.527 0.001 0.000 0.325 530 F C -1.360 174.649 175.800 0.347 0.000 1.162 530 F CA -1.000 57.194 58.000 0.323 0.000 0.946 530 F CB 1.134 40.360 39.000 0.378 0.000 1.211 530 F HN 0.905 nan 8.300 nan 0.000 0.447 531 C N 5.209 124.449 119.300 -0.100 0.000 2.341 531 C HA 0.553 5.014 4.460 0.001 0.000 0.338 531 C C -1.138 173.751 174.990 -0.169 0.000 1.257 531 C CA -0.609 58.392 59.018 -0.028 0.000 1.883 531 C CB 0.433 28.201 27.740 0.047 0.000 2.334 531 C HN 0.745 nan 8.230 nan 0.000 0.524 532 Y N 2.480 122.757 120.300 -0.038 0.000 2.332 532 Y HA 0.527 5.078 4.550 0.001 0.000 0.325 532 Y C -0.526 175.421 175.900 0.079 0.000 1.054 532 Y CA -0.545 57.542 58.100 -0.022 0.000 1.119 532 Y CB 0.635 39.073 38.460 -0.036 0.000 1.168 532 Y HN 0.698 nan 8.280 nan 0.000 0.439 533 K N 5.384 125.532 120.400 -0.419 0.000 2.613 533 K HA 0.351 4.671 4.320 0.001 0.000 0.248 533 K C -1.219 175.168 176.600 -0.355 0.000 0.959 533 K CA -0.462 55.655 56.287 -0.283 0.000 0.855 533 K CB 1.122 33.547 32.500 -0.126 0.000 1.143 533 K HN 0.748 nan 8.250 nan 0.000 0.437 534 E N 2.850 122.857 120.200 -0.322 0.000 2.343 534 E HA 0.088 4.438 4.350 0.001 0.000 0.269 534 E C -0.200 176.357 176.600 -0.072 0.000 1.047 534 E CA -0.480 55.815 56.400 -0.174 0.000 0.874 534 E CB 1.137 30.784 29.700 -0.089 0.000 1.033 534 E HN 0.482 nan 8.360 nan 0.000 0.409 535 E N 0.000 120.180 120.200 -0.033 0.000 2.725 535 E HA 0.000 4.351 4.350 0.001 0.000 0.291 535 E CA 0.000 56.383 56.400 -0.029 0.000 0.976 535 E CB 0.000 29.678 29.700 -0.037 0.000 0.812 535 E HN 0.000 nan 8.360 nan 0.000 0.440