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 2qjj_1_A DATA FIRST_RESID 1 DATA SEQUENCE MKITAARVII TCPGRNFVTL KIETDQGVYG IGDATLNGRE LSVVAYLQEH DATA SEQUENCE VAPCLIGMDP RRIEDIWQYV YRGAYWRRGP VTMRAIAAVD MALWDIKAKM DATA SEQUENCE AGMPLYQLLG GRSRDGIMVY GHANGSDIAE TVEAVGHYID MGYKAIRAQT DATA SEQUENCE GVPGIKDAYG VGRGKLYYEP ADASLPSVTG WDTRKALNYV PKLFEELRKT DATA SEQUENCE YGFDHHLLHD GHHRYTPQEA ANLGKMLEPY QLFWLEDCTP AENQEAFRLV DATA SEQUENCE RQHTVTPLAV GEIFNTIWDA KDLIQNQLID YIRATVVGAG GLTHLRRIAD DATA SEQUENCE LASLYQVRTG CHGATDLSPV TMGCALHFDT WVPNFGIQEY MRHTEETDAV DATA SEQUENCE FPHDYWFEKG ELFVGETPGH GVDIDEELAA KYPYKPAYLP VARLEDGTMW DATA SEQUENCE NW VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.287 176.300 -0.021 0.000 1.140 1 M CA 0.000 55.289 55.300 -0.019 0.000 0.988 1 M CB 0.000 32.588 32.600 -0.019 0.000 1.302 2 K N 1.028 121.419 120.400 -0.016 0.000 2.482 2 K HA 0.725 5.045 4.320 -0.000 0.000 0.257 2 K C -1.398 175.196 176.600 -0.010 0.000 0.969 2 K CA -0.808 55.468 56.287 -0.018 0.000 0.842 2 K CB 3.117 35.607 32.500 -0.017 0.000 1.359 2 K HN 0.648 nan 8.250 nan 0.000 0.441 3 I N 2.081 122.643 120.570 -0.013 0.000 2.471 3 I HA -0.019 4.151 4.170 -0.000 0.000 0.286 3 I C 1.345 177.464 176.117 0.002 0.000 1.079 3 I CA 0.193 61.493 61.300 -0.001 0.000 1.398 3 I CB 1.102 39.100 38.000 -0.005 0.000 1.403 3 I HN 0.856 nan 8.210 nan 0.000 0.530 4 T N 1.994 116.555 114.554 0.012 0.000 3.015 4 T HA 0.484 4.834 4.350 -0.000 0.000 0.250 4 T C 0.413 175.119 174.700 0.010 0.000 1.057 4 T CA 0.040 62.146 62.100 0.009 0.000 1.066 4 T CB 0.487 69.362 68.868 0.013 0.000 0.959 4 T HN 0.654 nan 8.240 nan 0.000 0.488 5 A N 0.111 122.941 122.820 0.017 0.000 2.605 5 A HA 0.816 5.136 4.320 -0.000 0.000 0.294 5 A C -1.474 176.126 177.584 0.027 0.000 1.062 5 A CA -0.586 51.461 52.037 0.016 0.000 0.682 5 A CB 0.904 19.910 19.000 0.010 0.000 1.278 5 A HN 0.934 nan 8.150 nan 0.000 0.410 6 A N 1.905 124.742 122.820 0.029 0.000 2.815 6 A HA 0.649 4.969 4.320 -0.000 0.000 0.318 6 A C -0.272 177.336 177.584 0.039 0.000 1.186 6 A CA -0.435 51.629 52.037 0.044 0.000 0.754 6 A CB 0.398 19.429 19.000 0.051 0.000 1.151 6 A HN 0.698 nan 8.150 nan 0.000 0.452 7 R N 0.724 121.244 120.500 0.035 0.000 2.428 7 R HA 0.584 4.924 4.340 -0.000 0.000 0.294 7 R C -0.770 175.557 176.300 0.045 0.000 1.000 7 R CA -0.612 55.505 56.100 0.028 0.000 0.960 7 R CB 1.983 32.288 30.300 0.009 0.000 1.076 7 R HN 0.352 nan 8.270 nan 0.000 0.475 8 V N 5.047 124.987 119.914 0.043 0.000 2.394 8 V HA 0.369 4.489 4.120 -0.000 0.000 0.282 8 V C 0.145 176.272 176.094 0.054 0.000 1.031 8 V CA -0.479 61.856 62.300 0.058 0.000 0.881 8 V CB 1.297 33.150 31.823 0.051 0.000 0.982 8 V HN 0.586 nan 8.190 nan 0.000 0.451 9 I N 5.997 126.615 120.570 0.080 0.000 2.406 9 I HA 0.526 4.696 4.170 -0.000 0.000 0.290 9 I C -0.548 175.642 176.117 0.123 0.000 0.999 9 I CA -0.355 60.995 61.300 0.084 0.000 1.124 9 I CB 1.816 39.865 38.000 0.082 0.000 1.289 9 I HN 0.418 nan 8.210 nan 0.000 0.441 10 I N 4.817 125.453 120.570 0.109 0.000 2.433 10 I HA 0.545 4.715 4.170 -0.000 0.000 0.292 10 I C -0.106 176.122 176.117 0.185 0.000 1.001 10 I CA -0.332 61.056 61.300 0.148 0.000 1.119 10 I CB 2.168 40.215 38.000 0.078 0.000 1.289 10 I HN 0.500 nan 8.210 nan 0.000 0.438 11 T N 3.940 118.645 114.554 0.252 0.000 2.853 11 T HA 0.328 4.678 4.350 -0.000 0.000 0.311 11 T C -1.635 173.216 174.700 0.252 0.000 1.307 11 T CA -0.380 61.870 62.100 0.250 0.000 1.019 11 T CB 1.658 70.656 68.868 0.216 0.000 1.264 11 T HN 0.722 nan 8.240 nan 0.000 0.497 12 C N 6.312 125.736 119.300 0.207 0.000 3.414 12 C HA 0.547 5.007 4.460 -0.000 0.000 0.208 12 C C -2.356 172.643 174.990 0.015 0.000 1.422 12 C CA -1.497 57.569 59.018 0.080 0.000 1.437 12 C CB -0.013 27.734 27.740 0.012 0.000 1.850 12 C HN 0.642 nan 8.230 nan 0.000 0.481 13 P HA 0.303 nan 4.420 nan 0.000 0.220 13 P C 0.909 178.087 177.300 -0.204 0.000 1.806 13 P CA 1.352 64.148 63.100 -0.508 0.000 0.976 13 P CB -0.168 31.189 31.700 -0.571 0.000 1.952 14 G N 1.413 110.136 108.800 -0.129 0.000 2.391 14 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.204 14 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.204 14 G C 0.095 174.920 174.900 -0.126 0.000 1.012 14 G CA -0.030 45.014 45.100 -0.093 0.000 0.651 14 G HN 0.716 nan 8.290 nan 0.000 0.494 15 R N -0.715 119.671 120.500 -0.190 0.000 2.741 15 R HA 0.559 4.899 4.340 -0.000 0.000 0.276 15 R C -1.363 174.645 176.300 -0.488 0.000 1.028 15 R CA -0.916 54.988 56.100 -0.328 0.000 0.865 15 R CB -0.072 30.003 30.300 -0.374 0.000 1.268 15 R HN 0.030 nan 8.270 nan 0.000 0.475 16 N N 0.491 118.919 118.700 -0.453 0.000 2.513 16 N HA 0.298 5.038 4.740 -0.000 0.000 0.268 16 N C -1.218 173.985 175.510 -0.512 0.000 1.180 16 N CA 0.463 53.327 53.050 -0.310 0.000 0.948 16 N CB 0.289 38.713 38.487 -0.106 0.000 1.083 16 N HN 0.282 nan 8.380 nan 0.000 0.455 17 F N 0.066 120.109 119.950 0.155 0.000 2.581 17 F HA 0.362 4.889 4.527 -0.000 0.000 0.311 17 F C -0.171 175.738 175.800 0.181 0.000 1.113 17 F CA -0.865 57.225 58.000 0.151 0.000 0.935 17 F CB 1.467 40.593 39.000 0.209 0.000 1.232 17 F HN -0.012 nan 8.300 nan 0.000 0.445 18 V N 2.191 122.307 119.914 0.336 0.000 2.495 18 V HA 0.715 4.835 4.120 -0.000 0.000 0.298 18 V C -0.460 175.766 176.094 0.219 0.000 1.031 18 V CA -0.501 61.939 62.300 0.232 0.000 0.871 18 V CB 2.045 33.958 31.823 0.150 0.000 0.988 18 V HN 0.830 nan 8.190 nan 0.000 0.432 19 T N 5.427 120.110 114.554 0.216 0.000 2.876 19 T HA 0.637 4.987 4.350 -0.000 0.000 0.289 19 T C -0.971 173.824 174.700 0.158 0.000 1.014 19 T CA -0.414 61.808 62.100 0.203 0.000 0.986 19 T CB 1.863 70.912 68.868 0.301 0.000 1.021 19 T HN 0.434 nan 8.240 nan 0.000 0.458 20 L N 2.657 123.970 121.223 0.150 0.000 2.307 20 L HA 0.685 5.025 4.340 -0.000 0.000 0.284 20 L C -0.407 176.546 176.870 0.138 0.000 1.023 20 L CA -0.392 54.526 54.840 0.129 0.000 0.810 20 L CB 1.128 43.263 42.059 0.128 0.000 1.231 20 L HN 0.554 nan 8.230 nan 0.000 0.423 21 K N 5.983 126.446 120.400 0.105 0.000 2.483 21 K HA 0.522 4.842 4.320 -0.000 0.000 0.256 21 K C -1.381 175.270 176.600 0.086 0.000 0.961 21 K CA -0.443 55.902 56.287 0.096 0.000 0.873 21 K CB 0.855 33.366 32.500 0.018 0.000 1.107 21 K HN 0.681 nan 8.250 nan 0.000 0.432 22 I N 4.252 124.896 120.570 0.122 0.000 2.304 22 I HA 0.177 4.347 4.170 -0.000 0.000 0.291 22 I C -0.070 176.121 176.117 0.124 0.000 1.018 22 I CA -0.464 60.897 61.300 0.102 0.000 1.260 22 I CB 1.384 39.441 38.000 0.096 0.000 1.390 22 I HN 0.568 nan 8.210 nan 0.000 0.475 23 E N 4.334 124.586 120.200 0.088 0.000 2.214 23 E HA 0.503 4.853 4.350 -0.000 0.000 0.274 23 E C -0.348 176.294 176.600 0.070 0.000 0.977 23 E CA -0.654 55.806 56.400 0.100 0.000 0.827 23 E CB 2.083 31.816 29.700 0.056 0.000 1.130 23 E HN 0.630 nan 8.360 nan 0.000 0.394 24 T N -2.096 112.501 114.554 0.073 0.000 2.907 24 T HA 0.185 4.535 4.350 -0.000 0.000 0.290 24 T C 0.337 175.057 174.700 0.032 0.000 1.066 24 T CA -0.866 61.258 62.100 0.039 0.000 1.012 24 T CB 1.222 70.106 68.868 0.026 0.000 1.184 24 T HN 0.469 nan 8.240 nan 0.000 0.522 25 D N -0.643 119.767 120.400 0.017 0.000 2.349 25 D HA 0.015 4.655 4.640 -0.000 0.000 0.224 25 D C 1.351 177.658 176.300 0.011 0.000 1.029 25 D CA 0.295 54.303 54.000 0.013 0.000 0.879 25 D CB 0.095 40.898 40.800 0.005 0.000 0.906 25 D HN 0.491 nan 8.370 nan 0.000 0.528 26 Q N -0.297 119.510 119.800 0.012 0.000 2.396 26 Q HA 0.289 4.629 4.340 -0.000 0.000 0.209 26 Q C 1.440 177.448 176.000 0.013 0.000 0.906 26 Q CA 1.188 56.994 55.803 0.005 0.000 0.927 26 Q CB 0.440 29.175 28.738 -0.005 0.000 1.069 26 Q HN 0.333 nan 8.270 nan 0.000 0.523 27 G N -0.690 108.129 108.800 0.031 0.000 2.493 27 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.206 27 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.206 27 G C -0.072 174.870 174.900 0.069 0.000 1.109 27 G CA -0.082 45.049 45.100 0.051 0.000 0.689 27 G HN 0.385 nan 8.290 nan 0.000 0.516 28 V N 2.882 122.801 119.914 0.008 0.000 2.763 28 V HA 0.539 4.659 4.120 -0.000 0.000 0.306 28 V C 0.266 176.375 176.094 0.024 0.000 1.059 28 V CA 0.679 62.941 62.300 -0.062 0.000 1.138 28 V CB 0.315 32.086 31.823 -0.086 0.000 0.940 28 V HN 1.259 nan 8.190 nan 0.000 0.489 29 Y N 3.578 123.879 120.300 0.002 0.000 2.609 29 Y HA 0.949 5.499 4.550 -0.000 0.000 0.342 29 Y C -0.105 175.801 175.900 0.009 0.000 1.058 29 Y CA -0.954 57.153 58.100 0.011 0.000 1.055 29 Y CB 1.563 40.037 38.460 0.024 0.000 1.292 29 Y HN 0.828 nan 8.280 nan 0.000 0.476 30 G N 0.934 109.913 108.800 0.298 0.000 2.660 30 G HA2 0.656 4.616 3.960 -0.000 0.000 0.294 30 G HA3 0.656 4.616 3.960 -0.000 0.000 0.294 30 G C -1.745 173.329 174.900 0.291 0.000 1.369 30 G CA -1.053 44.166 45.100 0.200 0.000 0.912 30 G HN 1.143 nan 8.290 nan 0.000 0.479 31 I N -1.314 119.452 120.570 0.325 0.000 2.785 31 I HA 0.985 5.155 4.170 -0.000 0.000 0.302 31 I C -0.019 176.322 176.117 0.374 0.000 1.069 31 I CA -1.289 60.213 61.300 0.337 0.000 1.045 31 I CB 2.652 40.865 38.000 0.355 0.000 1.236 31 I HN 0.783 nan 8.210 nan 0.000 0.429 32 G N 1.869 110.819 108.800 0.250 0.000 2.659 32 G HA2 0.408 4.368 3.960 -0.000 0.000 0.296 32 G HA3 0.408 4.368 3.960 -0.000 0.000 0.296 32 G C -2.144 172.829 174.900 0.123 0.000 1.369 32 G CA -0.425 44.790 45.100 0.191 0.000 0.937 32 G HN 0.727 nan 8.290 nan 0.000 0.485 33 D N 0.145 120.581 120.400 0.060 0.000 2.302 33 D HA 0.560 5.199 4.640 -0.000 0.000 0.248 33 D C 0.683 177.031 176.300 0.080 0.000 1.094 33 D CA 0.225 54.245 54.000 0.033 0.000 0.897 33 D CB 1.702 42.476 40.800 -0.043 0.000 1.200 33 D HN 0.506 nan 8.370 nan 0.000 0.429 34 A N 2.522 125.401 122.820 0.099 0.000 2.635 34 A HA 0.196 4.516 4.320 -0.000 0.000 0.279 34 A C 0.427 178.073 177.584 0.104 0.000 1.122 34 A CA -0.364 51.732 52.037 0.098 0.000 0.965 34 A CB -0.065 18.997 19.000 0.102 0.000 1.221 34 A HN 0.471 nan 8.150 nan 0.000 0.566 35 T N 1.212 115.845 114.554 0.131 0.000 2.829 35 T HA 0.330 4.680 4.350 -0.000 0.000 0.293 35 T C -0.480 174.289 174.700 0.115 0.000 0.970 35 T CA 0.718 62.907 62.100 0.148 0.000 1.168 35 T CB 0.569 69.580 68.868 0.240 0.000 0.911 35 T HN 0.293 nan 8.240 nan 0.000 0.535 36 L N 5.045 126.321 121.223 0.088 0.000 2.366 36 L HA 0.418 4.758 4.340 -0.000 0.000 0.266 36 L C -0.171 176.735 176.870 0.060 0.000 1.010 36 L CA -0.742 54.143 54.840 0.074 0.000 0.879 36 L CB 0.801 42.891 42.059 0.052 0.000 1.228 36 L HN 0.423 nan 8.230 nan 0.000 0.439 37 N N 3.428 122.169 118.700 0.069 0.000 2.301 37 N HA 0.241 4.981 4.740 -0.000 0.000 0.267 37 N C 1.315 176.835 175.510 0.016 0.000 1.304 37 N CA 1.775 54.846 53.050 0.036 0.000 0.851 37 N CB 0.555 39.086 38.487 0.074 0.000 1.070 37 N HN 0.904 nan 8.380 nan 0.000 0.483 38 G N 3.511 112.284 108.800 -0.045 0.000 2.199 38 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.254 38 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.254 38 G C 0.553 175.411 174.900 -0.071 0.000 0.982 38 G CA 0.136 45.183 45.100 -0.088 0.000 0.632 38 G HN 0.614 nan 8.290 nan 0.000 0.529 39 R N -0.287 120.205 120.500 -0.013 0.000 2.582 39 R HA 0.285 4.625 4.340 -0.000 0.000 0.453 39 R C 1.208 177.521 176.300 0.022 0.000 0.969 39 R CA 0.352 56.459 56.100 0.012 0.000 1.113 39 R CB 0.170 30.491 30.300 0.034 0.000 1.507 39 R HN 0.392 nan 8.270 nan 0.000 0.587 40 E N 0.954 121.173 120.200 0.032 0.000 2.086 40 E HA -0.157 4.193 4.350 -0.000 0.000 0.200 40 E C 1.574 178.174 176.600 0.001 0.000 1.012 40 E CA 1.370 57.799 56.400 0.048 0.000 0.812 40 E CB -0.106 29.668 29.700 0.123 0.000 0.743 40 E HN 0.236 nan 8.360 nan 0.000 0.453 41 L N 0.851 122.042 121.223 -0.052 0.000 2.376 41 L HA -0.086 4.253 4.340 -0.000 0.000 0.219 41 L C 2.289 179.150 176.870 -0.015 0.000 1.133 41 L CA 0.997 55.778 54.840 -0.098 0.000 0.816 41 L CB -0.634 41.318 42.059 -0.179 0.000 0.933 41 L HN 0.215 nan 8.230 nan 0.000 0.449 42 S N -0.686 115.027 115.700 0.021 0.000 2.387 42 S HA -0.100 4.370 4.470 -0.000 0.000 0.226 42 S C 1.849 176.512 174.600 0.105 0.000 1.026 42 S CA 0.876 59.113 58.200 0.063 0.000 0.972 42 S CB -0.573 62.661 63.200 0.058 0.000 0.814 42 S HN 0.186 nan 8.310 nan 0.000 0.477 43 V N 1.686 121.645 119.914 0.074 0.000 2.453 43 V HA -0.062 4.058 4.120 -0.000 0.000 0.247 43 V C 2.637 178.804 176.094 0.122 0.000 1.048 43 V CA 1.202 63.557 62.300 0.092 0.000 1.049 43 V CB -0.794 31.058 31.823 0.049 0.000 0.672 43 V HN 0.420 nan 8.190 nan 0.000 0.457 44 V N 0.682 120.637 119.914 0.067 0.000 2.287 44 V HA -0.302 3.818 4.120 -0.000 0.000 0.248 44 V C 2.744 178.877 176.094 0.065 0.000 1.053 44 V CA 2.307 64.635 62.300 0.046 0.000 1.027 44 V CB -1.107 30.702 31.823 -0.023 0.000 0.646 44 V HN 0.565 nan 8.190 nan 0.000 0.447 45 A N -1.407 121.455 122.820 0.071 0.000 1.898 45 A HA -0.251 4.069 4.320 -0.000 0.000 0.216 45 A C 2.148 179.820 177.584 0.147 0.000 1.181 45 A CA 1.903 53.982 52.037 0.070 0.000 0.620 45 A CB -0.823 18.220 19.000 0.070 0.000 0.819 45 A HN 0.611 nan 8.150 nan 0.000 0.442 46 Y N 0.275 120.642 120.300 0.111 0.000 2.151 46 Y HA -0.227 4.323 4.550 -0.000 0.000 0.284 46 Y C 2.053 178.038 175.900 0.143 0.000 1.166 46 Y CA 2.079 60.282 58.100 0.171 0.000 1.163 46 Y CB -0.129 38.388 38.460 0.096 0.000 0.974 46 Y HN 0.247 nan 8.280 nan 0.000 0.511 47 L N -0.683 120.717 121.223 0.296 0.000 2.034 47 L HA -0.197 4.143 4.340 -0.000 0.000 0.203 47 L C 2.596 179.519 176.870 0.087 0.000 1.074 47 L CA 1.608 56.567 54.840 0.197 0.000 0.748 47 L CB -0.690 41.466 42.059 0.162 0.000 0.905 47 L HN 0.182 nan 8.230 nan 0.000 0.439 48 Q N -0.217 119.611 119.800 0.046 0.000 2.084 48 Q HA -0.208 4.132 4.340 -0.000 0.000 0.202 48 Q C 1.907 177.859 176.000 -0.081 0.000 0.978 48 Q CA 1.501 57.298 55.803 -0.009 0.000 0.844 48 Q CB 0.268 28.997 28.738 -0.014 0.000 0.898 48 Q HN 0.372 nan 8.270 nan 0.000 0.426 49 E N -1.256 118.839 120.200 -0.174 0.000 2.318 49 E HA -0.044 4.305 4.350 -0.000 0.000 0.193 49 E C 1.344 177.575 176.600 -0.616 0.000 0.998 49 E CA 0.709 56.863 56.400 -0.410 0.000 0.859 49 E CB 0.326 29.685 29.700 -0.568 0.000 0.812 49 E HN 0.527 nan 8.360 nan 0.000 0.492 50 H N -0.976 118.048 119.070 -0.078 0.000 2.179 50 H HA 0.197 4.753 4.556 -0.000 0.000 0.246 50 H C 2.231 177.525 175.328 -0.056 0.000 0.904 50 H CA 0.409 56.389 56.048 -0.115 0.000 1.113 50 H CB 0.112 29.706 29.762 -0.280 0.000 1.396 50 H HN -0.111 nan 8.280 nan 0.000 0.484 51 V N 2.007 121.980 119.914 0.098 0.000 2.270 51 V HA -0.170 3.950 4.120 -0.000 0.000 0.245 51 V C 2.857 179.019 176.094 0.114 0.000 1.043 51 V CA 1.811 64.192 62.300 0.136 0.000 1.014 51 V CB -1.047 30.900 31.823 0.207 0.000 0.645 51 V HN 0.442 nan 8.190 nan 0.000 0.447 52 A N 0.665 123.536 122.820 0.085 0.000 1.903 52 A HA -0.195 4.125 4.320 -0.000 0.000 0.219 52 A C 0.578 178.187 177.584 0.042 0.000 1.191 52 A CA 2.458 54.531 52.037 0.060 0.000 0.638 52 A CB -2.057 16.969 19.000 0.043 0.000 0.823 52 A HN 0.535 nan 8.150 nan 0.000 0.451 53 P HA -0.102 nan 4.420 nan 0.000 0.218 53 P C 1.340 178.663 177.300 0.038 0.000 1.148 53 P CA 1.264 64.377 63.100 0.022 0.000 0.822 53 P CB -0.243 31.461 31.700 0.006 0.000 0.784 54 C N -1.798 117.547 119.300 0.074 0.000 2.464 54 C HA 0.039 4.498 4.460 -0.000 0.000 0.278 54 C C 2.565 177.558 174.990 0.005 0.000 1.375 54 C CA 0.372 59.449 59.018 0.097 0.000 1.761 54 C CB -1.689 26.210 27.740 0.266 0.000 1.944 54 C HN 0.205 nan 8.230 nan 0.000 0.509 55 L N 0.736 121.967 121.223 0.013 0.000 2.217 55 L HA 0.011 4.351 4.340 -0.000 0.000 0.211 55 L C 0.765 177.614 176.870 -0.035 0.000 1.107 55 L CA 0.520 55.343 54.840 -0.027 0.000 0.783 55 L CB -0.540 41.529 42.059 0.016 0.000 0.919 55 L HN 0.233 nan 8.230 nan 0.000 0.442 56 I N 1.430 121.992 120.570 -0.014 0.000 2.821 56 I HA -0.036 4.134 4.170 -0.000 0.000 0.294 56 I C 1.529 177.629 176.117 -0.028 0.000 1.210 56 I CA 1.290 62.581 61.300 -0.014 0.000 1.430 56 I CB -0.624 37.373 38.000 -0.005 0.000 1.356 56 I HN 0.420 nan 8.210 nan 0.000 0.563 57 G N 5.545 114.329 108.800 -0.027 0.000 2.241 57 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.244 57 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.244 57 G C 0.448 175.319 174.900 -0.048 0.000 0.998 57 G CA -0.116 44.965 45.100 -0.032 0.000 0.621 57 G HN 0.494 nan 8.290 nan 0.000 0.519 58 M N 0.934 120.493 119.600 -0.068 0.000 2.226 58 M HA 0.314 4.794 4.480 -0.000 0.000 0.324 58 M C 0.122 176.384 176.300 -0.065 0.000 1.112 58 M CA -0.249 54.997 55.300 -0.091 0.000 1.176 58 M CB 0.420 32.934 32.600 -0.142 0.000 1.430 58 M HN 0.140 nan 8.290 nan 0.000 0.462 59 D N 3.371 123.731 120.400 -0.066 0.000 2.352 59 D HA 0.148 4.788 4.640 -0.000 0.000 0.245 59 D C -1.620 174.644 176.300 -0.060 0.000 1.224 59 D CA -2.042 51.925 54.000 -0.054 0.000 0.879 59 D CB 0.903 41.673 40.800 -0.050 0.000 1.057 59 D HN 0.240 nan 8.370 nan 0.000 0.491 60 P HA -0.115 nan 4.420 nan 0.000 0.225 60 P C 0.902 178.145 177.300 -0.095 0.000 1.148 60 P CA 0.588 63.652 63.100 -0.061 0.000 0.779 60 P CB 0.380 32.056 31.700 -0.040 0.000 0.780 61 R N 0.001 120.445 120.500 -0.093 0.000 2.189 61 R HA 0.053 4.393 4.340 -0.000 0.000 0.218 61 R C 1.328 177.543 176.300 -0.141 0.000 1.074 61 R CA 0.426 56.453 56.100 -0.121 0.000 0.991 61 R CB -0.266 29.982 30.300 -0.088 0.000 0.883 61 R HN 0.212 nan 8.270 nan 0.000 0.457 62 R N 1.519 121.956 120.500 -0.105 0.000 4.138 62 R HA 0.149 4.489 4.340 -0.000 0.000 0.206 62 R C 0.883 177.130 176.300 -0.087 0.000 1.667 62 R CA -0.125 55.925 56.100 -0.085 0.000 1.481 62 R CB -0.081 30.190 30.300 -0.048 0.000 1.388 62 R HN 0.218 nan 8.270 nan 0.000 0.776 63 I N 0.525 120.987 120.570 -0.180 0.000 2.127 63 I HA -0.335 3.835 4.170 -0.000 0.000 0.241 63 I C 2.403 178.519 176.117 -0.001 0.000 1.075 63 I CA 1.446 62.629 61.300 -0.196 0.000 1.334 63 I CB -0.122 37.533 38.000 -0.576 0.000 1.040 63 I HN 0.370 nan 8.210 nan 0.000 0.405 64 E N 1.373 121.573 120.200 -0.001 0.000 2.051 64 E HA -0.290 4.060 4.350 -0.000 0.000 0.192 64 E C 1.687 178.401 176.600 0.190 0.000 0.991 64 E CA 1.969 58.431 56.400 0.103 0.000 0.799 64 E CB -0.204 29.527 29.700 0.052 0.000 0.748 64 E HN 0.428 nan 8.360 nan 0.000 0.449 65 D N -0.624 119.849 120.400 0.122 0.000 2.097 65 D HA -0.133 4.506 4.640 -0.000 0.000 0.195 65 D C 1.906 178.325 176.300 0.198 0.000 0.989 65 D CA 1.602 55.689 54.000 0.145 0.000 0.827 65 D CB -0.122 40.722 40.800 0.074 0.000 0.966 65 D HN 0.302 nan 8.370 nan 0.000 0.456 66 I N -0.672 119.986 120.570 0.147 0.000 2.226 66 I HA -0.170 4.000 4.170 -0.000 0.000 0.245 66 I C 1.975 178.254 176.117 0.271 0.000 1.100 66 I CA 0.724 62.117 61.300 0.156 0.000 1.374 66 I CB -0.343 37.697 38.000 0.068 0.000 1.057 66 I HN 0.281 nan 8.210 nan 0.000 0.413 67 W N 1.748 123.127 121.300 0.130 0.000 2.335 67 W HA -0.244 4.415 4.660 -0.000 0.000 0.311 67 W C 2.697 179.343 176.519 0.212 0.000 1.213 67 W CA 1.378 58.819 57.345 0.160 0.000 1.274 67 W CB -0.038 29.499 29.460 0.129 0.000 1.148 67 W HN 0.066 nan 8.180 nan 0.000 0.498 68 Q N -0.831 119.323 119.800 0.590 0.000 2.124 68 Q HA -0.262 4.078 4.340 -0.000 0.000 0.202 68 Q C 1.938 178.114 176.000 0.293 0.000 0.977 68 Q CA 1.870 57.966 55.803 0.488 0.000 0.850 68 Q CB -1.370 27.607 28.738 0.399 0.000 0.901 68 Q HN 0.587 nan 8.270 nan 0.000 0.429 69 Y N 1.020 121.402 120.300 0.138 0.000 2.145 69 Y HA -0.225 4.325 4.550 -0.000 0.000 0.286 69 Y C 2.184 178.100 175.900 0.027 0.000 1.145 69 Y CA 1.439 59.583 58.100 0.074 0.000 1.148 69 Y CB -0.061 38.437 38.460 0.062 0.000 0.981 69 Y HN -0.141 nan 8.280 nan 0.000 0.507 70 V N -0.514 119.494 119.914 0.156 0.000 2.591 70 V HA -0.234 3.886 4.120 -0.000 0.000 0.249 70 V C 1.887 177.907 176.094 -0.123 0.000 1.053 70 V CA 1.874 64.183 62.300 0.016 0.000 1.068 70 V CB -0.982 30.878 31.823 0.061 0.000 0.689 70 V HN 0.555 nan 8.190 nan 0.000 0.462 71 Y N 1.513 121.607 120.300 -0.343 0.000 2.130 71 Y HA -0.136 4.414 4.550 -0.000 0.000 0.287 71 Y C 2.725 178.518 175.900 -0.179 0.000 1.124 71 Y CA 1.705 59.559 58.100 -0.408 0.000 1.118 71 Y CB -0.136 37.855 38.460 -0.782 0.000 0.994 71 Y HN 0.048 nan 8.280 nan 0.000 0.497 72 R N -0.559 119.880 120.500 -0.100 0.000 2.073 72 R HA -0.017 4.323 4.340 -0.000 0.000 0.229 72 R C 2.540 178.721 176.300 -0.198 0.000 1.120 72 R CA 0.991 57.007 56.100 -0.140 0.000 0.967 72 R CB -0.936 29.398 30.300 0.057 0.000 0.862 72 R HN 0.483 nan 8.270 nan 0.000 0.436 73 G N 1.118 109.781 108.800 -0.228 0.000 2.462 73 G HA2 -0.254 3.705 3.960 -0.000 0.000 0.220 73 G HA3 -0.254 3.705 3.960 -0.000 0.000 0.220 73 G C 1.513 176.275 174.900 -0.230 0.000 1.121 73 G CA 0.751 45.662 45.100 -0.315 0.000 0.758 73 G HN 0.394 nan 8.290 nan 0.000 0.559 74 A N -1.167 121.541 122.820 -0.187 0.000 2.070 74 A HA 0.132 4.452 4.320 -0.000 0.000 0.220 74 A C 1.524 179.056 177.584 -0.085 0.000 1.159 74 A CA 1.763 53.753 52.037 -0.078 0.000 0.656 74 A CB -0.336 18.663 19.000 -0.001 0.000 0.800 74 A HN 0.922 nan 8.150 nan 0.000 0.453 75 Y N -3.254 116.824 120.300 -0.370 0.000 2.760 75 Y HA -0.320 4.230 4.550 -0.000 0.000 0.484 75 Y C -0.198 175.363 175.900 -0.565 0.000 1.172 75 Y CA 1.756 59.522 58.100 -0.557 0.000 2.808 75 Y CB -1.613 36.361 38.460 -0.809 0.000 0.948 75 Y HN 0.419 nan 8.280 nan 0.000 0.551 76 W N 5.025 126.226 121.300 -0.165 0.000 2.416 76 W HA 0.559 5.219 4.660 -0.000 0.000 0.318 76 W C 0.460 176.843 176.519 -0.228 0.000 1.150 76 W CA -0.436 56.788 57.345 -0.201 0.000 1.392 76 W CB 0.298 29.715 29.460 -0.072 0.000 1.311 76 W HN -0.067 nan 8.180 nan 0.000 0.436 77 R N 3.013 123.415 120.500 -0.162 0.000 2.532 77 R HA 0.709 5.049 4.340 -0.000 0.000 0.272 77 R C 0.349 176.591 176.300 -0.097 0.000 1.032 77 R CA -0.921 55.014 56.100 -0.275 0.000 1.089 77 R CB 0.857 30.898 30.300 -0.432 0.000 1.098 77 R HN 0.542 nan 8.270 nan 0.000 0.526 78 R N -0.567 119.905 120.500 -0.047 0.000 3.936 78 R HA -0.158 4.182 4.340 -0.000 0.000 0.451 78 R C -0.223 176.098 176.300 0.035 0.000 0.241 78 R CA 0.614 56.777 56.100 0.105 0.000 1.423 78 R CB -1.367 29.026 30.300 0.155 0.000 1.085 78 R HN 1.089 nan 8.270 nan 0.000 0.524 79 G N -1.496 107.332 108.800 0.047 0.000 2.576 79 G HA2 0.027 3.987 3.960 -0.000 0.000 0.686 79 G HA3 0.027 3.987 3.960 -0.000 0.000 0.686 79 G C -2.507 172.390 174.900 -0.005 0.000 1.242 79 G CA -0.532 44.575 45.100 0.011 0.000 0.819 79 G HN 0.377 nan 8.290 nan 0.000 0.655 80 P HA -0.053 nan 4.420 nan 0.000 0.214 80 P C 2.181 179.454 177.300 -0.045 0.000 1.163 80 P CA 1.806 64.908 63.100 0.003 0.000 0.883 80 P CB 0.158 31.867 31.700 0.016 0.000 0.788 81 V N -0.658 119.205 119.914 -0.086 0.000 2.307 81 V HA -0.223 3.897 4.120 -0.000 0.000 0.245 81 V C 2.331 178.180 176.094 -0.408 0.000 1.045 81 V CA 2.559 64.757 62.300 -0.170 0.000 1.024 81 V CB -1.920 29.832 31.823 -0.118 0.000 0.651 81 V HN 0.172 nan 8.190 nan 0.000 0.449 82 T N 0.380 114.655 114.554 -0.464 0.000 2.635 82 T HA -0.232 4.118 4.350 -0.000 0.000 0.267 82 T C 1.896 176.388 174.700 -0.347 0.000 1.040 82 T CA 1.851 63.580 62.100 -0.618 0.000 1.156 82 T CB -0.332 68.385 68.868 -0.251 0.000 0.863 82 T HN 0.201 nan 8.240 nan 0.000 0.430 83 M N 0.448 119.956 119.600 -0.153 0.000 2.394 83 M HA 0.139 4.619 4.480 -0.000 0.000 0.264 83 M C 2.234 178.519 176.300 -0.026 0.000 1.073 83 M CA 1.037 56.306 55.300 -0.051 0.000 1.111 83 M CB -1.032 31.588 32.600 0.034 0.000 1.401 83 M HN 0.036 nan 8.290 nan 0.000 0.448 84 R N 0.690 121.158 120.500 -0.053 0.000 2.075 84 R HA 0.062 4.402 4.340 -0.000 0.000 0.232 84 R C 2.278 178.577 176.300 -0.003 0.000 1.126 84 R CA 1.660 57.758 56.100 -0.003 0.000 0.963 84 R CB -0.715 29.583 30.300 -0.004 0.000 0.858 84 R HN 0.375 nan 8.270 nan 0.000 0.435 85 A N 0.289 123.061 122.820 -0.079 0.000 1.877 85 A HA -0.111 4.209 4.320 -0.000 0.000 0.216 85 A C 2.171 179.777 177.584 0.038 0.000 1.186 85 A CA 1.421 53.454 52.037 -0.006 0.000 0.620 85 A CB -0.565 18.415 19.000 -0.035 0.000 0.822 85 A HN 0.280 nan 8.150 nan 0.000 0.443 86 I N -0.272 120.287 120.570 -0.018 0.000 2.286 86 I HA -0.265 3.905 4.170 -0.000 0.000 0.248 86 I C 2.947 179.117 176.117 0.089 0.000 1.115 86 I CA 0.982 62.268 61.300 -0.024 0.000 1.392 86 I CB -0.350 37.536 38.000 -0.190 0.000 1.065 86 I HN 0.368 nan 8.210 nan 0.000 0.418 87 A N 0.841 123.730 122.820 0.115 0.000 1.902 87 A HA -0.151 4.168 4.320 -0.000 0.000 0.217 87 A C 2.562 180.249 177.584 0.172 0.000 1.181 87 A CA 1.800 53.944 52.037 0.178 0.000 0.623 87 A CB -0.753 18.332 19.000 0.141 0.000 0.818 87 A HN 0.426 nan 8.150 nan 0.000 0.443 88 A N -0.526 122.375 122.820 0.135 0.000 1.902 88 A HA -0.011 4.309 4.320 -0.000 0.000 0.217 88 A C 2.240 179.922 177.584 0.164 0.000 1.181 88 A CA 1.838 53.960 52.037 0.141 0.000 0.623 88 A CB -0.953 18.120 19.000 0.122 0.000 0.818 88 A HN 0.389 nan 8.150 nan 0.000 0.443 89 V N 0.339 120.345 119.914 0.155 0.000 2.295 89 V HA -0.270 3.850 4.120 -0.000 0.000 0.246 89 V C 2.330 178.538 176.094 0.190 0.000 1.049 89 V CA 2.521 64.913 62.300 0.153 0.000 1.024 89 V CB -0.870 31.032 31.823 0.132 0.000 0.648 89 V HN 0.701 nan 8.190 nan 0.000 0.447 90 D N -0.564 119.989 120.400 0.254 0.000 2.104 90 D HA -0.205 4.435 4.640 -0.000 0.000 0.194 90 D C 2.218 178.754 176.300 0.392 0.000 0.994 90 D CA 1.646 55.859 54.000 0.354 0.000 0.830 90 D CB -0.128 40.974 40.800 0.504 0.000 0.959 90 D HN 0.321 nan 8.370 nan 0.000 0.452 91 M N -0.144 119.659 119.600 0.338 0.000 2.117 91 M HA -0.143 4.337 4.480 -0.000 0.000 0.262 91 M C 2.319 178.837 176.300 0.364 0.000 1.065 91 M CA 1.514 57.029 55.300 0.357 0.000 1.114 91 M CB -0.226 32.526 32.600 0.253 0.000 1.361 91 M HN 0.125 nan 8.290 nan 0.000 0.408 92 A N 0.353 123.338 122.820 0.275 0.000 1.902 92 A HA -0.117 4.202 4.320 -0.000 0.000 0.217 92 A C 2.058 179.730 177.584 0.147 0.000 1.181 92 A CA 1.317 53.488 52.037 0.223 0.000 0.623 92 A CB -0.855 18.256 19.000 0.185 0.000 0.818 92 A HN 0.463 nan 8.150 nan 0.000 0.443 93 L N -2.910 118.379 121.223 0.110 0.000 2.093 93 L HA -0.170 4.169 4.340 -0.000 0.000 0.208 93 L C 2.542 179.371 176.870 -0.068 0.000 1.085 93 L CA 1.060 55.888 54.840 -0.020 0.000 0.755 93 L CB -0.473 41.527 42.059 -0.097 0.000 0.904 93 L HN 0.600 nan 8.230 nan 0.000 0.435 94 W N 0.542 121.878 121.300 0.060 0.000 2.436 94 W HA -0.183 4.477 4.660 -0.000 0.000 0.284 94 W C 2.351 178.853 176.519 -0.029 0.000 1.225 94 W CA 0.894 58.252 57.345 0.022 0.000 1.271 94 W CB -0.093 29.397 29.460 0.050 0.000 1.114 94 W HN 0.203 nan 8.180 nan 0.000 0.559 95 D N 0.443 120.951 120.400 0.179 0.000 2.097 95 D HA -0.186 4.453 4.640 -0.000 0.000 0.195 95 D C 1.892 178.141 176.300 -0.086 0.000 0.989 95 D CA 1.563 55.510 54.000 -0.087 0.000 0.827 95 D CB -0.329 40.320 40.800 -0.252 0.000 0.966 95 D HN 0.093 nan 8.370 nan 0.000 0.456 96 I N 0.049 120.594 120.570 -0.041 0.000 2.179 96 I HA -0.227 3.943 4.170 -0.000 0.000 0.242 96 I C 2.516 178.595 176.117 -0.063 0.000 1.088 96 I CA 1.017 62.279 61.300 -0.063 0.000 1.357 96 I CB -0.230 37.745 38.000 -0.041 0.000 1.051 96 I HN 0.025 nan 8.210 nan 0.000 0.409 97 K N 1.132 121.499 120.400 -0.055 0.000 2.057 97 K HA -0.181 4.139 4.320 -0.000 0.000 0.207 97 K C 2.178 178.774 176.600 -0.007 0.000 1.049 97 K CA 1.472 57.726 56.287 -0.055 0.000 0.931 97 K CB -0.097 32.331 32.500 -0.120 0.000 0.714 97 K HN 0.299 nan 8.250 nan 0.000 0.440 98 A N 1.349 124.184 122.820 0.024 0.000 1.898 98 A HA -0.163 4.157 4.320 -0.000 0.000 0.216 98 A C 1.870 179.420 177.584 -0.057 0.000 1.181 98 A CA 1.567 53.594 52.037 -0.015 0.000 0.620 98 A CB -0.318 18.654 19.000 -0.046 0.000 0.819 98 A HN 0.285 nan 8.150 nan 0.000 0.442 99 K N -0.856 119.497 120.400 -0.078 0.000 2.057 99 K HA -0.066 4.254 4.320 -0.000 0.000 0.207 99 K C 2.061 178.618 176.600 -0.072 0.000 1.049 99 K CA 1.701 57.933 56.287 -0.092 0.000 0.931 99 K CB -0.292 32.126 32.500 -0.136 0.000 0.714 99 K HN 0.488 nan 8.250 nan 0.000 0.440 100 M N 0.128 119.689 119.600 -0.065 0.000 2.229 100 M HA -0.110 4.370 4.480 -0.000 0.000 0.264 100 M C 2.177 178.452 176.300 -0.043 0.000 1.063 100 M CA 1.292 56.560 55.300 -0.053 0.000 1.114 100 M CB -0.136 32.432 32.600 -0.053 0.000 1.387 100 M HN 0.171 nan 8.290 nan 0.000 0.420 101 A N -0.235 122.561 122.820 -0.040 0.000 2.169 101 A HA 0.305 4.625 4.320 -0.000 0.000 0.212 101 A C 1.649 179.210 177.584 -0.038 0.000 1.153 101 A CA 0.841 52.858 52.037 -0.034 0.000 0.756 101 A CB -0.774 18.209 19.000 -0.028 0.000 0.813 101 A HN 0.622 nan 8.150 nan 0.000 0.471 102 G N -1.132 107.642 108.800 -0.043 0.000 2.221 102 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.265 102 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.265 102 G C -0.034 174.840 174.900 -0.043 0.000 1.041 102 G CA 0.814 45.890 45.100 -0.039 0.000 0.807 102 G HN 0.523 nan 8.290 nan 0.000 0.502 103 M N -0.015 119.548 119.600 -0.062 0.000 2.550 103 M HA 0.503 4.983 4.480 -0.000 0.000 0.292 103 M C -2.592 173.635 176.300 -0.122 0.000 1.221 103 M CA -2.362 52.882 55.300 -0.095 0.000 0.873 103 M CB 2.749 35.274 32.600 -0.125 0.000 1.727 103 M HN -0.091 nan 8.290 nan 0.000 0.459 104 P HA 0.045 nan 4.420 nan 0.000 0.275 104 P C 0.449 177.558 177.300 -0.318 0.000 1.228 104 P CA -0.387 62.644 63.100 -0.115 0.000 0.786 104 P CB 0.986 32.741 31.700 0.092 0.000 0.927 105 L N 4.401 125.321 121.223 -0.504 0.000 2.051 105 L HA -0.255 4.085 4.340 -0.000 0.000 0.214 105 L C 2.549 179.289 176.870 -0.218 0.000 1.076 105 L CA 2.126 56.715 54.840 -0.419 0.000 0.758 105 L CB -2.061 39.668 42.059 -0.550 0.000 0.890 105 L HN 0.476 nan 8.230 nan 0.000 0.433 106 Y N -1.498 118.849 120.300 0.078 0.000 2.315 106 Y HA -0.212 4.338 4.550 -0.000 0.000 0.288 106 Y C 2.193 178.108 175.900 0.025 0.000 1.154 106 Y CA 1.399 59.584 58.100 0.142 0.000 1.229 106 Y CB -1.158 37.474 38.460 0.287 0.000 0.980 106 Y HN 0.288 nan 8.280 nan 0.000 0.540 107 Q N 0.461 119.924 119.800 -0.562 0.000 2.119 107 Q HA -0.074 4.266 4.340 -0.000 0.000 0.201 107 Q C 2.155 178.041 176.000 -0.189 0.000 0.972 107 Q CA 1.313 56.901 55.803 -0.358 0.000 0.847 107 Q CB -0.313 28.175 28.738 -0.417 0.000 0.903 107 Q HN 0.543 nan 8.270 nan 0.000 0.433 108 L N 0.056 121.162 121.223 -0.195 0.000 2.217 108 L HA -0.098 4.241 4.340 -0.000 0.000 0.211 108 L C 2.170 178.880 176.870 -0.266 0.000 1.107 108 L CA 1.018 55.774 54.840 -0.140 0.000 0.783 108 L CB -0.514 41.532 42.059 -0.021 0.000 0.919 108 L HN 0.121 nan 8.230 nan 0.000 0.442 109 L N -1.228 119.734 121.223 -0.436 0.000 2.395 109 L HA 0.117 4.457 4.340 -0.000 0.000 0.218 109 L C 1.488 177.744 176.870 -1.024 0.000 1.130 109 L CA 0.925 55.247 54.840 -0.863 0.000 0.826 109 L CB -0.378 41.066 42.059 -1.024 0.000 0.941 109 L HN 0.501 nan 8.230 nan 0.000 0.451 110 G N -1.448 107.077 108.800 -0.458 0.000 2.870 110 G HA2 0.187 4.147 3.960 -0.000 0.000 0.216 110 G HA3 0.187 4.147 3.960 -0.000 0.000 0.216 110 G C 0.471 175.476 174.900 0.175 0.000 0.973 110 G CA -0.317 44.710 45.100 -0.120 0.000 0.807 110 G HN 0.633 nan 8.290 nan 0.000 0.573 111 G N -0.471 108.446 108.800 0.195 0.000 2.757 111 G HA2 0.152 4.112 3.960 -0.000 0.000 0.638 111 G HA3 0.152 4.112 3.960 -0.000 0.000 0.638 111 G C -0.186 174.987 174.900 0.455 0.000 1.344 111 G CA 0.229 45.530 45.100 0.335 0.000 0.855 111 G HN 1.075 nan 8.290 nan 0.000 0.537 112 R N 0.002 120.721 120.500 0.366 0.000 2.401 112 R HA 0.506 4.846 4.340 -0.000 0.000 0.299 112 R C 0.992 177.308 176.300 0.028 0.000 1.064 112 R CA 0.483 56.636 56.100 0.088 0.000 1.000 112 R CB 0.230 30.517 30.300 -0.022 0.000 0.973 112 R HN 0.448 nan 8.270 nan 0.000 0.438 113 S N 4.068 119.725 115.700 -0.071 0.000 2.505 113 S HA 0.118 4.588 4.470 -0.000 0.000 0.216 113 S C -0.232 174.289 174.600 -0.131 0.000 1.018 113 S CA -0.198 57.935 58.200 -0.112 0.000 0.911 113 S CB 0.239 63.311 63.200 -0.213 0.000 0.818 113 S HN 0.753 nan 8.310 nan 0.000 0.497 114 R N -0.128 120.268 120.500 -0.173 0.000 2.747 114 R HA 0.513 4.853 4.340 -0.000 0.000 0.272 114 R C -0.472 175.716 176.300 -0.186 0.000 1.032 114 R CA -0.645 55.349 56.100 -0.175 0.000 0.896 114 R CB 0.485 30.643 30.300 -0.237 0.000 1.253 114 R HN -0.076 nan 8.270 nan 0.000 0.461 115 D N 0.202 120.520 120.400 -0.136 0.000 2.306 115 D HA 0.150 4.790 4.640 -0.000 0.000 0.239 115 D C 0.578 176.784 176.300 -0.156 0.000 1.105 115 D CA 1.428 55.389 54.000 -0.064 0.000 0.950 115 D CB -0.390 40.437 40.800 0.045 0.000 1.036 115 D HN 0.618 nan 8.370 nan 0.000 0.428 116 G N -0.310 108.340 108.800 -0.250 0.000 2.477 116 G HA2 0.511 4.470 3.960 -0.000 0.000 0.304 116 G HA3 0.511 4.470 3.960 -0.000 0.000 0.304 116 G C -0.471 174.014 174.900 -0.691 0.000 1.175 116 G CA -0.468 44.126 45.100 -0.844 0.000 0.907 116 G HN 0.279 nan 8.290 nan 0.000 0.509 117 I N 1.554 121.642 120.570 -0.804 0.000 2.354 117 I HA 0.213 4.382 4.170 -0.000 0.000 0.286 117 I C 0.467 176.406 176.117 -0.296 0.000 1.007 117 I CA -0.673 60.265 61.300 -0.604 0.000 1.167 117 I CB 1.130 38.773 38.000 -0.595 0.000 1.320 117 I HN 0.504 nan 8.210 nan 0.000 0.458 118 M N 7.886 127.468 119.600 -0.029 0.000 2.252 118 M HA 0.262 4.742 4.480 -0.000 0.000 0.348 118 M C -0.314 176.042 176.300 0.093 0.000 1.334 118 M CA 0.255 55.586 55.300 0.051 0.000 1.071 118 M CB 0.534 33.207 32.600 0.122 0.000 1.763 118 M HN 0.496 nan 8.290 nan 0.000 0.452 119 V N 3.606 123.539 119.914 0.032 0.000 3.158 119 V HA 0.786 4.906 4.120 -0.000 0.000 0.315 119 V C -1.475 174.666 176.094 0.078 0.000 1.148 119 V CA -0.862 61.459 62.300 0.035 0.000 1.042 119 V CB 1.794 33.657 31.823 0.067 0.000 1.101 119 V HN 0.879 nan 8.190 nan 0.000 0.448 120 Y N -0.302 119.973 120.300 -0.042 0.000 2.477 120 Y HA 0.980 5.530 4.550 -0.000 0.000 0.347 120 Y C 0.074 175.905 175.900 -0.116 0.000 0.981 120 Y CA -0.551 57.470 58.100 -0.132 0.000 1.033 120 Y CB 1.448 39.641 38.460 -0.445 0.000 1.245 120 Y HN 1.036 nan 8.280 nan 0.000 0.455 121 G N 0.739 109.487 108.800 -0.088 0.000 2.552 121 G HA2 0.478 4.438 3.960 -0.000 0.000 0.318 121 G HA3 0.478 4.438 3.960 -0.000 0.000 0.318 121 G C -1.817 172.546 174.900 -0.896 0.000 1.240 121 G CA -1.072 43.706 45.100 -0.538 0.000 1.002 121 G HN 0.780 nan 8.290 nan 0.000 0.493 122 H N -0.540 118.109 119.070 -0.701 0.000 2.725 122 H HA 0.588 5.144 4.556 -0.000 0.000 0.283 122 H C 0.236 175.344 175.328 -0.367 0.000 1.110 122 H CA -0.223 55.595 56.048 -0.385 0.000 1.289 122 H CB 1.149 30.841 29.762 -0.116 0.000 1.400 122 H HN 0.626 nan 8.280 nan 0.000 0.493 123 A N 4.220 126.845 122.820 -0.326 0.000 2.289 123 A HA 0.447 4.767 4.320 -0.000 0.000 0.298 123 A C -0.053 177.501 177.584 -0.050 0.000 1.208 123 A CA -0.706 51.289 52.037 -0.069 0.000 0.845 123 A CB 0.165 19.109 19.000 -0.093 0.000 1.125 123 A HN 0.862 nan 8.150 nan 0.000 0.517 124 N N 1.733 120.423 118.700 -0.018 0.000 2.329 124 N HA 0.720 5.460 4.740 -0.000 0.000 0.282 124 N C -0.571 174.918 175.510 -0.036 0.000 1.198 124 N CA -0.145 52.870 53.050 -0.060 0.000 0.790 124 N CB 2.132 40.542 38.487 -0.128 0.000 1.579 124 N HN 0.743 nan 8.380 nan 0.000 0.475 125 G N -0.912 107.869 108.800 -0.032 0.000 2.692 125 G HA2 0.374 4.333 3.960 -0.000 0.000 0.291 125 G HA3 0.374 4.333 3.960 -0.000 0.000 0.291 125 G C 0.374 175.274 174.900 0.000 0.000 1.423 125 G CA -0.270 44.821 45.100 -0.015 0.000 0.843 125 G HN 0.597 nan 8.290 nan 0.000 0.486 126 S N -0.997 114.705 115.700 0.004 0.000 2.453 126 S HA 0.091 4.561 4.470 -0.000 0.000 0.231 126 S C 0.587 175.205 174.600 0.031 0.000 1.005 126 S CA 1.573 59.779 58.200 0.010 0.000 0.949 126 S CB -0.347 62.854 63.200 0.001 0.000 0.774 126 S HN 0.882 nan 8.310 nan 0.000 0.510 127 D N -1.131 119.301 120.400 0.053 0.000 2.677 127 D HA 0.408 5.048 4.640 -0.000 0.000 0.298 127 D C 0.714 177.078 176.300 0.107 0.000 1.250 127 D CA -0.892 53.184 54.000 0.127 0.000 0.888 127 D CB -0.108 40.755 40.800 0.106 0.000 1.397 127 D HN -0.004 nan 8.370 nan 0.000 0.461 128 I N 0.264 120.912 120.570 0.131 0.000 2.163 128 I HA -0.266 3.904 4.170 -0.000 0.000 0.243 128 I C 2.462 178.542 176.117 -0.061 0.000 1.085 128 I CA 1.988 63.255 61.300 -0.055 0.000 1.347 128 I CB -0.484 37.395 38.000 -0.201 0.000 1.044 128 I HN 0.602 nan 8.210 nan 0.000 0.408 129 A N 0.385 123.188 122.820 -0.028 0.000 1.873 129 A HA -0.315 4.004 4.320 -0.000 0.000 0.218 129 A C 2.310 179.879 177.584 -0.025 0.000 1.193 129 A CA 2.296 54.312 52.037 -0.035 0.000 0.629 129 A CB -0.778 18.210 19.000 -0.020 0.000 0.826 129 A HN 0.540 nan 8.150 nan 0.000 0.447 130 E N -1.057 119.136 120.200 -0.012 0.000 2.106 130 E HA -0.137 4.213 4.350 -0.000 0.000 0.192 130 E C 1.892 178.484 176.600 -0.012 0.000 0.984 130 E CA 1.531 57.925 56.400 -0.011 0.000 0.806 130 E CB -0.138 29.557 29.700 -0.008 0.000 0.750 130 E HN 0.568 nan 8.360 nan 0.000 0.458 131 T N 0.140 114.681 114.554 -0.022 0.000 2.821 131 T HA -0.093 4.256 4.350 -0.000 0.000 0.267 131 T C 1.877 176.559 174.700 -0.030 0.000 1.046 131 T CA 1.083 63.160 62.100 -0.037 0.000 1.139 131 T CB -0.085 68.741 68.868 -0.071 0.000 0.871 131 T HN 0.024 nan 8.240 nan 0.000 0.454 132 V N 1.596 121.490 119.914 -0.032 0.000 2.343 132 V HA -0.187 3.933 4.120 -0.000 0.000 0.247 132 V C 2.566 178.736 176.094 0.127 0.000 1.051 132 V CA 1.933 64.254 62.300 0.035 0.000 1.036 132 V CB -0.570 31.226 31.823 -0.045 0.000 0.654 132 V HN 0.575 nan 8.190 nan 0.000 0.451 133 E N 0.430 120.666 120.200 0.060 0.000 2.085 133 E HA -0.250 4.099 4.350 -0.000 0.000 0.194 133 E C 2.212 178.854 176.600 0.070 0.000 0.994 133 E CA 1.510 57.951 56.400 0.068 0.000 0.801 133 E CB -0.247 29.462 29.700 0.016 0.000 0.743 133 E HN 0.558 nan 8.360 nan 0.000 0.453 134 A N 0.592 123.443 122.820 0.051 0.000 1.902 134 A HA -0.138 4.182 4.320 -0.000 0.000 0.217 134 A C 2.423 180.090 177.584 0.138 0.000 1.181 134 A CA 1.519 53.609 52.037 0.088 0.000 0.623 134 A CB -0.689 18.355 19.000 0.073 0.000 0.818 134 A HN 0.242 nan 8.150 nan 0.000 0.443 135 V N -0.055 119.883 119.914 0.039 0.000 2.407 135 V HA -0.179 3.941 4.120 -0.000 0.000 0.248 135 V C 2.797 178.729 176.094 -0.269 0.000 1.055 135 V CA 1.880 64.123 62.300 -0.094 0.000 1.049 135 V CB -1.409 30.315 31.823 -0.165 0.000 0.662 135 V HN 0.623 nan 8.190 nan 0.000 0.455 136 G N -0.912 107.749 108.800 -0.233 0.000 2.442 136 G HA2 -0.351 3.609 3.960 -0.000 0.000 0.219 136 G HA3 -0.351 3.609 3.960 -0.000 0.000 0.219 136 G C 1.438 176.274 174.900 -0.107 0.000 1.141 136 G CA 1.262 46.195 45.100 -0.278 0.000 0.763 136 G HN 0.643 nan 8.290 nan 0.000 0.554 137 H N -0.425 118.569 119.070 -0.127 0.000 2.353 137 H HA -0.070 4.486 4.556 -0.000 0.000 0.300 137 H C 2.149 177.336 175.328 -0.234 0.000 1.090 137 H CA 1.442 57.387 56.048 -0.170 0.000 1.327 137 H CB -0.360 29.270 29.762 -0.219 0.000 1.383 137 H HN 0.415 nan 8.280 nan 0.000 0.508 138 Y N -0.176 119.932 120.300 -0.319 0.000 2.242 138 Y HA -0.090 4.460 4.550 -0.000 0.000 0.291 138 Y C 2.662 178.440 175.900 -0.203 0.000 1.137 138 Y CA 1.280 59.122 58.100 -0.430 0.000 1.181 138 Y CB -0.207 37.931 38.460 -0.536 0.000 0.989 138 Y HN 0.218 nan 8.280 nan 0.000 0.527 139 I N -0.242 120.239 120.570 -0.149 0.000 2.226 139 I HA -0.307 3.863 4.170 -0.000 0.000 0.245 139 I C 1.724 177.817 176.117 -0.040 0.000 1.100 139 I CA 1.383 62.563 61.300 -0.200 0.000 1.374 139 I CB -0.325 37.334 38.000 -0.567 0.000 1.057 139 I HN 0.193 nan 8.210 nan 0.000 0.413 140 D N 0.667 121.025 120.400 -0.070 0.000 2.144 140 D HA -0.167 4.473 4.640 -0.000 0.000 0.199 140 D C 2.151 178.455 176.300 0.007 0.000 0.984 140 D CA 1.364 55.355 54.000 -0.015 0.000 0.834 140 D CB -0.157 40.641 40.800 -0.003 0.000 0.955 140 D HN 0.343 nan 8.370 nan 0.000 0.465 141 M N -0.809 118.780 119.600 -0.018 0.000 2.659 141 M HA 0.080 4.560 4.480 -0.000 0.000 0.243 141 M C 1.078 177.483 176.300 0.175 0.000 1.111 141 M CA 0.779 56.126 55.300 0.078 0.000 1.070 141 M CB 0.413 33.065 32.600 0.085 0.000 1.525 141 M HN 0.136 nan 8.290 nan 0.000 0.517 142 G N -0.315 108.591 108.800 0.176 0.000 2.144 142 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.218 142 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.218 142 G C -0.325 174.672 174.900 0.162 0.000 0.988 142 G CA -0.617 44.562 45.100 0.131 0.000 0.659 142 G HN 0.383 nan 8.290 nan 0.000 0.522 143 Y N 0.817 121.198 120.300 0.135 0.000 2.425 143 Y HA 0.393 4.943 4.550 -0.000 0.000 0.331 143 Y C 1.851 177.848 175.900 0.162 0.000 1.157 143 Y CA 0.602 58.806 58.100 0.174 0.000 1.372 143 Y CB 0.854 39.439 38.460 0.209 0.000 1.253 143 Y HN 0.119 nan 8.280 nan 0.000 0.536 144 K N 2.016 122.551 120.400 0.225 0.000 2.323 144 K HA 0.392 4.712 4.320 -0.000 0.000 0.197 144 K C 0.050 176.761 176.600 0.184 0.000 1.043 144 K CA 0.609 56.996 56.287 0.167 0.000 0.997 144 K CB 0.451 33.019 32.500 0.113 0.000 0.807 144 K HN 0.549 nan 8.250 nan 0.000 0.497 145 A N 1.207 124.125 122.820 0.163 0.000 2.422 145 A HA 0.675 4.995 4.320 -0.000 0.000 0.302 145 A C -1.396 176.174 177.584 -0.024 0.000 1.041 145 A CA -0.740 51.300 52.037 0.005 0.000 0.708 145 A CB 1.002 19.837 19.000 -0.276 0.000 1.257 145 A HN 0.069 nan 8.150 nan 0.000 0.414 146 I N 0.833 121.310 120.570 -0.155 0.000 2.569 146 I HA 0.490 4.660 4.170 -0.000 0.000 0.290 146 I C 0.035 175.976 176.117 -0.293 0.000 1.088 146 I CA -0.308 60.831 61.300 -0.268 0.000 1.047 146 I CB 2.157 39.990 38.000 -0.279 0.000 1.237 146 I HN 0.737 nan 8.210 nan 0.000 0.421 147 R N 4.143 124.438 120.500 -0.343 0.000 2.297 147 R HA 0.853 5.193 4.340 -0.000 0.000 0.308 147 R C -0.935 175.289 176.300 -0.127 0.000 1.029 147 R CA -0.462 55.488 56.100 -0.249 0.000 0.929 147 R CB 1.127 31.274 30.300 -0.256 0.000 1.046 147 R HN 0.844 nan 8.270 nan 0.000 0.461 148 A N 4.873 127.720 122.820 0.044 0.000 2.287 148 A HA 0.388 4.708 4.320 -0.000 0.000 0.317 148 A C -1.112 176.568 177.584 0.160 0.000 1.220 148 A CA -0.741 51.300 52.037 0.007 0.000 0.835 148 A CB 1.485 20.383 19.000 -0.170 0.000 1.180 148 A HN 0.640 nan 8.150 nan 0.000 0.500 149 Q N 1.003 120.837 119.800 0.058 0.000 2.337 149 Q HA 0.550 4.889 4.340 -0.000 0.000 0.270 149 Q C -0.806 175.222 176.000 0.047 0.000 1.043 149 Q CA -0.286 55.581 55.803 0.107 0.000 0.794 149 Q CB 2.144 30.850 28.738 -0.053 0.000 1.281 149 Q HN 0.707 nan 8.270 nan 0.000 0.446 150 T N 0.143 114.774 114.554 0.129 0.000 2.887 150 T HA 0.716 5.066 4.350 -0.000 0.000 0.288 150 T C -0.046 174.747 174.700 0.155 0.000 1.021 150 T CA -0.334 61.834 62.100 0.115 0.000 1.000 150 T CB 1.316 70.269 68.868 0.141 0.000 1.034 150 T HN 0.655 nan 8.240 nan 0.000 0.467 151 G N 1.477 110.337 108.800 0.100 0.000 2.569 151 G HA2 0.511 4.471 3.960 -0.000 0.000 0.249 151 G HA3 0.511 4.471 3.960 -0.000 0.000 0.249 151 G C -0.832 174.085 174.900 0.028 0.000 1.216 151 G CA -0.325 44.814 45.100 0.066 0.000 0.845 151 G HN 0.755 nan 8.290 nan 0.000 0.568 152 V N 2.744 122.617 119.914 -0.068 0.000 2.487 152 V HA 0.282 4.402 4.120 -0.000 0.000 0.298 152 V C -2.094 173.785 176.094 -0.359 0.000 1.028 152 V CA -1.468 60.637 62.300 -0.326 0.000 0.860 152 V CB 2.150 33.872 31.823 -0.168 0.000 0.991 152 V HN 0.574 nan 8.190 nan 0.000 0.427 153 P HA 0.211 nan 4.420 nan 0.000 0.260 153 P C 0.958 178.118 177.300 -0.234 0.000 1.185 153 P CA 1.481 64.388 63.100 -0.322 0.000 0.763 153 P CB 0.457 31.950 31.700 -0.345 0.000 0.776 154 G N 2.750 111.458 108.800 -0.153 0.000 2.176 154 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.232 154 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.232 154 G C 0.041 174.871 174.900 -0.116 0.000 0.986 154 G CA -0.437 44.588 45.100 -0.125 0.000 0.643 154 G HN 0.488 nan 8.290 nan 0.000 0.522 155 I N 0.795 121.299 120.570 -0.110 0.000 2.433 155 I HA 0.364 4.534 4.170 -0.000 0.000 0.292 155 I C 0.295 176.418 176.117 0.010 0.000 1.001 155 I CA -0.914 60.349 61.300 -0.060 0.000 1.119 155 I CB 1.978 39.933 38.000 -0.076 0.000 1.289 155 I HN 0.005 nan 8.210 nan 0.000 0.438 156 K N 6.489 126.919 120.400 0.051 0.000 2.316 156 K HA 0.087 4.407 4.320 -0.000 0.000 0.289 156 K C -0.703 175.977 176.600 0.133 0.000 1.070 156 K CA -0.099 56.233 56.287 0.075 0.000 0.928 156 K CB 0.387 32.928 32.500 0.069 0.000 1.039 156 K HN 0.580 nan 8.250 nan 0.000 0.480 157 D N 2.067 122.539 120.400 0.119 0.000 3.082 157 D HA -0.190 4.449 4.640 -0.000 0.000 0.234 157 D C -0.393 176.036 176.300 0.214 0.000 1.159 157 D CA 0.949 55.044 54.000 0.158 0.000 0.875 157 D CB -0.830 40.078 40.800 0.180 0.000 0.946 157 D HN 0.725 nan 8.370 nan 0.000 0.411 158 A N 1.386 124.312 122.820 0.177 0.000 2.448 158 A HA 0.236 4.556 4.320 -0.000 0.000 0.239 158 A C 0.298 177.957 177.584 0.126 0.000 1.080 158 A CA -0.290 51.880 52.037 0.221 0.000 0.779 158 A CB 0.278 19.400 19.000 0.203 0.000 1.026 158 A HN 0.409 nan 8.150 nan 0.000 0.499 159 Y N 0.943 121.224 120.300 -0.031 0.000 2.702 159 Y HA 0.324 4.874 4.550 -0.000 0.000 0.336 159 Y C 1.390 177.067 175.900 -0.372 0.000 1.235 159 Y CA 0.941 58.880 58.100 -0.268 0.000 1.492 159 Y CB 0.171 38.252 38.460 -0.632 0.000 1.308 159 Y HN 1.621 nan 8.280 nan 0.000 0.589 160 G N 3.412 110.969 108.800 -2.072 0.000 2.168 160 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.257 160 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.257 160 G C -0.772 173.455 174.900 -1.122 0.000 0.997 160 G CA 0.300 43.924 45.100 -2.460 0.000 0.708 160 G HN 0.809 nan 8.290 nan 0.000 0.520 161 V N -0.602 118.988 119.914 -0.539 0.000 2.540 161 V HA 0.768 4.888 4.120 -0.000 0.000 0.302 161 V C 1.343 177.436 176.094 -0.001 0.000 1.035 161 V CA 0.374 62.563 62.300 -0.184 0.000 0.873 161 V CB 1.234 33.005 31.823 -0.086 0.000 0.992 161 V HN 1.828 nan 8.190 nan 0.000 0.428 162 G N 4.118 112.921 108.800 0.006 0.000 2.143 162 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.249 162 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.249 162 G C 0.421 175.363 174.900 0.071 0.000 0.981 162 G CA -0.066 45.057 45.100 0.038 0.000 0.665 162 G HN 0.535 nan 8.290 nan 0.000 0.528 163 R N 0.114 120.695 120.500 0.134 0.000 2.776 163 R HA 0.555 4.895 4.340 -0.000 0.000 0.391 163 R C 0.706 176.959 176.300 -0.079 0.000 1.116 163 R CA 0.352 56.508 56.100 0.095 0.000 1.056 163 R CB 0.295 30.660 30.300 0.108 0.000 1.369 163 R HN 1.659 nan 8.270 nan 0.000 0.590 164 G N 0.308 108.962 108.800 -0.242 0.000 2.402 164 G HA2 -0.113 3.847 3.960 -0.000 0.000 0.666 164 G HA3 -0.113 3.847 3.960 -0.000 0.000 0.666 164 G C -0.114 174.524 174.900 -0.438 0.000 1.402 164 G CA -0.768 43.904 45.100 -0.715 0.000 0.920 164 G HN 0.079 nan 8.290 nan 0.000 0.651 165 K N -0.027 120.131 120.400 -0.403 0.000 2.161 165 K HA 0.314 4.634 4.320 -0.000 0.000 0.205 165 K C 2.107 178.697 176.600 -0.016 0.000 1.035 165 K CA 0.635 56.839 56.287 -0.140 0.000 0.970 165 K CB 0.072 32.517 32.500 -0.092 0.000 0.866 165 K HN 0.334 nan 8.250 nan 0.000 0.461 166 L N 0.928 122.140 121.223 -0.018 0.000 2.591 166 L HA 0.128 4.468 4.340 -0.000 0.000 0.228 166 L C 0.050 176.998 176.870 0.129 0.000 1.133 166 L CA -0.220 54.704 54.840 0.140 0.000 0.880 166 L CB -0.173 41.959 42.059 0.121 0.000 1.033 166 L HN 0.235 nan 8.230 nan 0.000 0.450 167 Y N -3.535 116.758 120.300 -0.011 0.000 2.764 167 Y HA 0.581 5.131 4.550 -0.000 0.000 0.331 167 Y C -1.565 174.342 175.900 0.012 0.000 1.280 167 Y CA -2.019 56.011 58.100 -0.117 0.000 1.065 167 Y CB 1.097 39.477 38.460 -0.134 0.000 1.319 167 Y HN -0.112 nan 8.280 nan 0.000 0.453 168 Y N 1.291 121.597 120.300 0.010 0.000 2.307 168 Y HA 0.536 5.086 4.550 -0.000 0.000 0.323 168 Y C -1.582 174.419 175.900 0.169 0.000 1.100 168 Y CA -1.396 56.693 58.100 -0.019 0.000 1.140 168 Y CB 1.802 40.205 38.460 -0.096 0.000 1.159 168 Y HN 0.774 nan 8.280 nan 0.000 0.436 169 E N 8.515 128.628 120.200 -0.145 0.000 2.103 169 E HA 0.452 4.802 4.350 -0.000 0.000 0.254 169 E C -2.301 174.062 176.600 -0.395 0.000 0.940 169 E CA -2.667 53.630 56.400 -0.171 0.000 0.771 169 E CB 1.179 30.913 29.700 0.058 0.000 1.153 169 E HN 0.457 nan 8.360 nan 0.000 0.428 170 P HA -0.103 nan 4.420 nan 0.000 0.215 170 P C -0.135 177.033 177.300 -0.221 0.000 1.157 170 P CA 0.893 63.777 63.100 -0.359 0.000 0.863 170 P CB 0.189 31.882 31.700 -0.011 0.000 0.787 171 A N 1.192 123.911 122.820 -0.167 0.000 2.993 171 A HA 0.020 4.340 4.320 -0.000 0.000 0.281 171 A C 0.640 178.159 177.584 -0.109 0.000 1.847 171 A CA 0.251 52.208 52.037 -0.133 0.000 1.470 171 A CB -1.299 17.630 19.000 -0.118 0.000 1.028 171 A HN 0.210 nan 8.150 nan 0.000 0.604 172 D N 0.200 120.543 120.400 -0.095 0.000 2.363 172 D HA 0.433 5.072 4.640 -0.000 0.000 0.214 172 D C 0.208 176.486 176.300 -0.036 0.000 1.093 172 D CA 0.694 54.658 54.000 -0.060 0.000 0.837 172 D CB 0.118 40.890 40.800 -0.046 0.000 0.948 172 D HN 0.493 nan 8.370 nan 0.000 0.507 173 A N -0.710 122.097 122.820 -0.022 0.000 2.610 173 A HA 0.504 4.824 4.320 -0.000 0.000 0.291 173 A C 0.575 178.198 177.584 0.064 0.000 1.086 173 A CA -0.101 51.939 52.037 0.006 0.000 0.677 173 A CB 1.108 20.106 19.000 -0.003 0.000 1.278 173 A HN -0.111 nan 8.150 nan 0.000 0.414 174 S N -0.492 115.243 115.700 0.059 0.000 2.442 174 S HA 0.092 4.562 4.470 -0.000 0.000 0.236 174 S C 0.469 175.208 174.600 0.230 0.000 1.007 174 S CA 1.311 59.577 58.200 0.111 0.000 0.965 174 S CB -0.666 62.567 63.200 0.054 0.000 0.773 174 S HN 0.491 nan 8.310 nan 0.000 0.504 175 L N 0.567 121.846 121.223 0.094 0.000 2.424 175 L HA 0.464 4.804 4.340 -0.000 0.000 0.258 175 L C -2.758 174.019 176.870 -0.156 0.000 0.995 175 L CA -2.664 52.084 54.840 -0.154 0.000 0.821 175 L CB 2.075 44.035 42.059 -0.164 0.000 1.383 175 L HN -0.148 nan 8.230 nan 0.000 0.410 176 P HA 0.033 nan 4.420 nan 0.000 0.261 176 P C -0.789 176.431 177.300 -0.134 0.000 1.183 176 P CA 0.283 63.269 63.100 -0.189 0.000 0.761 176 P CB 0.501 32.057 31.700 -0.239 0.000 0.785 177 S N 1.736 117.368 115.700 -0.114 0.000 2.592 177 S HA 0.250 4.720 4.470 -0.000 0.000 0.271 177 S C 0.144 174.703 174.600 -0.068 0.000 1.326 177 S CA -0.559 57.597 58.200 -0.075 0.000 1.024 177 S CB 0.503 63.669 63.200 -0.058 0.000 0.921 177 S HN 0.145 nan 8.310 nan 0.000 0.527 178 V N 3.272 123.175 119.914 -0.018 0.000 2.370 178 V HA 0.460 4.580 4.120 -0.000 0.000 0.283 178 V C 0.630 176.767 176.094 0.072 0.000 1.023 178 V CA -0.709 61.604 62.300 0.022 0.000 0.857 178 V CB 1.006 32.843 31.823 0.025 0.000 0.985 178 V HN 1.049 nan 8.190 nan 0.000 0.443 179 T N 2.058 116.693 114.554 0.135 0.000 2.952 179 T HA 0.824 5.174 4.350 -0.000 0.000 0.286 179 T C 0.237 175.071 174.700 0.223 0.000 1.024 179 T CA -0.311 61.910 62.100 0.202 0.000 1.029 179 T CB 1.981 71.044 68.868 0.327 0.000 1.094 179 T HN 0.822 nan 8.240 nan 0.000 0.515 180 G N -0.436 108.497 108.800 0.221 0.000 2.509 180 G HA2 0.613 4.573 3.960 -0.000 0.000 0.328 180 G HA3 0.613 4.573 3.960 -0.000 0.000 0.328 180 G C -1.815 173.288 174.900 0.338 0.000 1.194 180 G CA -1.019 44.207 45.100 0.210 0.000 0.967 180 G HN 0.834 nan 8.290 nan 0.000 0.488 181 W N 0.339 121.650 121.300 0.017 0.000 3.419 181 W HA 0.478 5.138 4.660 -0.000 0.000 0.298 181 W C -2.538 173.920 176.519 -0.101 0.000 1.260 181 W CA -0.580 56.756 57.345 -0.016 0.000 1.199 181 W CB 2.255 31.729 29.460 0.022 0.000 1.349 181 W HN 0.627 nan 8.180 nan 0.000 0.557 182 D N 2.031 121.701 120.400 -1.217 0.000 2.613 182 D HA 0.262 4.902 4.640 -0.000 0.000 0.230 182 D C 0.510 176.102 176.300 -1.180 0.000 1.365 182 D CA -0.116 53.341 54.000 -0.905 0.000 0.976 182 D CB 2.088 42.596 40.800 -0.487 0.000 1.415 182 D HN 0.139 nan 8.370 nan 0.000 0.589 183 T N 1.829 115.949 114.554 -0.722 0.000 2.708 183 T HA -0.178 4.172 4.350 -0.000 0.000 0.266 183 T C 1.783 176.419 174.700 -0.106 0.000 1.037 183 T CA 1.143 63.110 62.100 -0.221 0.000 1.146 183 T CB -0.090 68.877 68.868 0.165 0.000 0.865 183 T HN 0.272 nan 8.240 nan 0.000 0.435 184 R N 1.714 122.141 120.500 -0.122 0.000 2.091 184 R HA -0.011 4.329 4.340 -0.000 0.000 0.238 184 R C 2.117 178.369 176.300 -0.081 0.000 1.136 184 R CA 1.661 57.725 56.100 -0.060 0.000 0.959 184 R CB -0.471 29.789 30.300 -0.066 0.000 0.856 184 R HN 0.353 nan 8.270 nan 0.000 0.437 185 K N -0.410 119.882 120.400 -0.180 0.000 2.063 185 K HA -0.072 4.248 4.320 -0.000 0.000 0.208 185 K C 2.038 178.577 176.600 -0.101 0.000 1.048 185 K CA 1.544 57.733 56.287 -0.164 0.000 0.928 185 K CB -0.220 32.130 32.500 -0.250 0.000 0.713 185 K HN 0.290 nan 8.250 nan 0.000 0.442 186 A N 1.284 124.003 122.820 -0.169 0.000 1.897 186 A HA -0.076 4.243 4.320 -0.000 0.000 0.215 186 A C 2.087 179.800 177.584 0.214 0.000 1.181 186 A CA 1.010 53.077 52.037 0.050 0.000 0.620 186 A CB -0.540 18.484 19.000 0.039 0.000 0.821 186 A HN 0.146 nan 8.150 nan 0.000 0.443 187 L N -0.033 121.305 121.223 0.192 0.000 2.131 187 L HA -0.175 4.164 4.340 -0.000 0.000 0.210 187 L C 1.651 178.586 176.870 0.109 0.000 1.092 187 L CA 0.979 55.914 54.840 0.159 0.000 0.759 187 L CB -0.503 41.635 42.059 0.131 0.000 0.903 187 L HN 0.371 nan 8.230 nan 0.000 0.435 188 N N -1.680 117.080 118.700 0.101 0.000 2.463 188 N HA -0.113 4.627 4.740 -0.000 0.000 0.181 188 N C 1.289 176.891 175.510 0.154 0.000 1.078 188 N CA 0.722 53.829 53.050 0.096 0.000 0.902 188 N CB 0.220 38.749 38.487 0.069 0.000 0.970 188 N HN 0.349 nan 8.380 nan 0.000 0.451 189 Y N 0.079 120.390 120.300 0.019 0.000 2.609 189 Y HA 0.176 4.726 4.550 -0.000 0.000 0.281 189 Y C 2.016 177.930 175.900 0.024 0.000 1.132 189 Y CA 0.203 58.310 58.100 0.012 0.000 1.264 189 Y CB -0.105 38.357 38.460 0.004 0.000 1.325 189 Y HN -0.266 nan 8.280 nan 0.000 0.514 190 V N 2.086 122.094 119.914 0.157 0.000 2.282 190 V HA -0.262 3.858 4.120 -0.000 0.000 0.249 190 V C -0.686 175.420 176.094 0.020 0.000 1.057 190 V CA 2.549 64.894 62.300 0.076 0.000 1.032 190 V CB -1.780 30.133 31.823 0.151 0.000 0.645 190 V HN 0.270 nan 8.190 nan 0.000 0.447 191 P HA -0.154 nan 4.420 nan 0.000 0.216 191 P C 1.567 178.825 177.300 -0.070 0.000 1.150 191 P CA 1.378 64.527 63.100 0.081 0.000 0.837 191 P CB -0.081 31.686 31.700 0.110 0.000 0.786 192 K N -0.951 119.346 120.400 -0.170 0.000 2.147 192 K HA -0.137 4.183 4.320 -0.000 0.000 0.205 192 K C 1.929 178.290 176.600 -0.399 0.000 1.049 192 K CA 0.914 57.030 56.287 -0.285 0.000 0.936 192 K CB -0.790 31.509 32.500 -0.335 0.000 0.722 192 K HN 0.097 nan 8.250 nan 0.000 0.446 193 L N 0.356 121.312 121.223 -0.445 0.000 2.017 193 L HA -0.120 4.220 4.340 -0.000 0.000 0.208 193 L C 1.783 178.264 176.870 -0.648 0.000 1.073 193 L CA 1.758 56.273 54.840 -0.542 0.000 0.745 193 L CB -0.448 41.259 42.059 -0.587 0.000 0.894 193 L HN 0.007 nan 8.230 nan 0.000 0.432 194 F N 0.121 119.823 119.950 -0.414 0.000 2.325 194 F HA -0.067 4.460 4.527 -0.000 0.000 0.299 194 F C 2.541 177.803 175.800 -0.898 0.000 1.090 194 F CA 1.315 59.017 58.000 -0.496 0.000 1.392 194 F CB -0.482 38.321 39.000 -0.329 0.000 1.053 194 F HN 0.307 nan 8.300 nan 0.000 0.521 195 E N 0.518 120.100 120.200 -1.029 0.000 2.072 195 E HA -0.197 4.153 4.350 -0.000 0.000 0.191 195 E C 1.972 178.313 176.600 -0.432 0.000 0.985 195 E CA 1.345 57.155 56.400 -0.982 0.000 0.801 195 E CB 0.028 29.422 29.700 -0.510 0.000 0.750 195 E HN 0.230 nan 8.360 nan 0.000 0.452 196 E N 0.648 120.624 120.200 -0.373 0.000 2.106 196 E HA -0.140 4.209 4.350 -0.000 0.000 0.192 196 E C 2.319 178.750 176.600 -0.283 0.000 0.984 196 E CA 0.621 56.852 56.400 -0.282 0.000 0.806 196 E CB -0.184 29.355 29.700 -0.268 0.000 0.750 196 E HN 0.403 nan 8.360 nan 0.000 0.458 197 L N 0.571 121.615 121.223 -0.299 0.000 2.046 197 L HA -0.165 4.175 4.340 -0.000 0.000 0.208 197 L C 2.506 179.279 176.870 -0.161 0.000 1.077 197 L CA 1.011 55.741 54.840 -0.183 0.000 0.747 197 L CB -0.254 41.698 42.059 -0.179 0.000 0.896 197 L HN -0.006 nan 8.230 nan 0.000 0.432 198 R N 0.126 120.484 120.500 -0.236 0.000 2.115 198 R HA -0.119 4.221 4.340 -0.000 0.000 0.226 198 R C 2.093 178.286 176.300 -0.178 0.000 1.100 198 R CA 0.931 56.839 56.100 -0.321 0.000 0.980 198 R CB -0.437 29.587 30.300 -0.459 0.000 0.875 198 R HN 0.363 nan 8.270 nan 0.000 0.445 199 K N 0.127 120.442 120.400 -0.142 0.000 2.097 199 K HA -0.066 4.254 4.320 -0.000 0.000 0.205 199 K C 1.392 177.899 176.600 -0.155 0.000 1.050 199 K CA 1.582 57.814 56.287 -0.092 0.000 0.938 199 K CB 0.169 32.611 32.500 -0.097 0.000 0.718 199 K HN 0.020 nan 8.250 nan 0.000 0.442 200 T N -0.480 113.899 114.554 -0.292 0.000 2.894 200 T HA -0.035 4.315 4.350 -0.000 0.000 0.258 200 T C 0.801 175.176 174.700 -0.542 0.000 1.043 200 T CA 0.968 62.765 62.100 -0.504 0.000 1.141 200 T CB -0.100 68.265 68.868 -0.838 0.000 0.873 200 T HN 0.239 nan 8.240 nan 0.000 0.449 201 Y N 0.736 120.994 120.300 -0.070 0.000 2.481 201 Y HA 0.486 5.036 4.550 -0.000 0.000 0.247 201 Y C 1.566 177.473 175.900 0.013 0.000 1.151 201 Y CA -0.450 57.629 58.100 -0.034 0.000 1.238 201 Y CB -0.055 38.357 38.460 -0.080 0.000 1.179 201 Y HN 0.357 nan 8.280 nan 0.000 0.524 202 G N 0.486 109.329 108.800 0.071 0.000 2.693 202 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.226 202 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.226 202 G C -0.086 174.803 174.900 -0.019 0.000 1.354 202 G CA -0.116 45.050 45.100 0.109 0.000 0.873 202 G HN 0.186 nan 8.290 nan 0.000 0.562 203 F N 0.565 120.587 119.950 0.118 0.000 2.639 203 F HA 0.263 4.790 4.527 -0.000 0.000 0.302 203 F C 1.909 177.736 175.800 0.046 0.000 1.097 203 F CA 0.300 58.361 58.000 0.102 0.000 1.294 203 F CB 0.635 39.683 39.000 0.081 0.000 1.027 203 F HN 0.318 nan 8.300 nan 0.000 0.550 204 D N -0.793 119.687 120.400 0.133 0.000 2.183 204 D HA -0.073 4.567 4.640 -0.000 0.000 0.203 204 D C 0.459 176.594 176.300 -0.276 0.000 0.969 204 D CA 1.215 55.168 54.000 -0.079 0.000 0.842 204 D CB -0.182 40.512 40.800 -0.176 0.000 0.957 204 D HN 0.284 nan 8.370 nan 0.000 0.484 205 H N -0.215 118.806 119.070 -0.081 0.000 2.481 205 H HA 0.199 4.755 4.556 -0.000 0.000 0.339 205 H C 0.297 175.543 175.328 -0.137 0.000 1.131 205 H CA -0.371 55.583 56.048 -0.158 0.000 1.301 205 H CB 0.572 30.274 29.762 -0.100 0.000 1.476 205 H HN 0.018 nan 8.280 nan 0.000 0.529 206 H N 2.790 121.916 119.070 0.094 0.000 2.767 206 H HA 0.152 4.708 4.556 -0.000 0.000 0.316 206 H C -0.179 175.122 175.328 -0.045 0.000 1.059 206 H CA 0.048 56.114 56.048 0.029 0.000 1.461 206 H CB 0.318 29.974 29.762 -0.176 0.000 1.475 206 H HN 0.356 nan 8.280 nan 0.000 0.531 207 L N 4.935 126.240 121.223 0.136 0.000 2.333 207 L HA 0.311 4.651 4.340 -0.000 0.000 0.280 207 L C -0.632 176.249 176.870 0.018 0.000 1.004 207 L CA -0.832 54.060 54.840 0.088 0.000 0.820 207 L CB 1.402 43.598 42.059 0.229 0.000 1.247 207 L HN 0.209 nan 8.230 nan 0.000 0.416 208 L N 2.267 123.424 121.223 -0.110 0.000 2.319 208 L HA 0.600 4.940 4.340 -0.000 0.000 0.267 208 L C -0.641 176.284 176.870 0.092 0.000 1.011 208 L CA -0.561 54.135 54.840 -0.240 0.000 0.818 208 L CB 1.647 43.178 42.059 -0.879 0.000 1.316 208 L HN 0.402 nan 8.230 nan 0.000 0.432 209 H N -0.087 119.015 119.070 0.052 0.000 2.865 209 H HA 0.448 5.004 4.556 -0.000 0.000 0.362 209 H C -1.719 173.741 175.328 0.220 0.000 1.114 209 H CA -0.643 55.517 56.048 0.185 0.000 1.208 209 H CB 1.614 31.426 29.762 0.085 0.000 1.727 209 H HN 0.527 nan 8.280 nan 0.000 0.534 210 D N 2.512 122.705 120.400 -0.345 0.000 2.373 210 D HA 0.228 4.868 4.640 -0.000 0.000 0.227 210 D C 1.079 177.168 176.300 -0.352 0.000 1.091 210 D CA 0.055 53.935 54.000 -0.200 0.000 0.840 210 D CB 1.218 42.033 40.800 0.024 0.000 1.060 210 D HN 0.892 nan 8.370 nan 0.000 0.502 211 G N 2.206 110.904 108.800 -0.169 0.000 2.650 211 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.214 211 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.214 211 G C 0.886 175.690 174.900 -0.160 0.000 1.136 211 G CA -0.022 45.111 45.100 0.055 0.000 0.789 211 G HN 0.837 nan 8.290 nan 0.000 0.536 212 H N 1.109 119.843 119.070 -0.559 0.000 2.527 212 H HA -0.200 4.356 4.556 -0.000 0.000 0.321 212 H C 0.541 175.458 175.328 -0.685 0.000 1.092 212 H CA 1.239 56.772 56.048 -0.858 0.000 1.118 212 H CB -1.448 27.691 29.762 -1.038 0.000 1.536 212 H HN 0.775 nan 8.280 nan 0.000 0.407 213 H N -1.933 116.929 119.070 -0.347 0.000 3.179 213 H HA -0.199 4.357 4.556 -0.000 0.000 0.250 213 H C 1.530 176.649 175.328 -0.349 0.000 1.142 213 H CA 1.159 57.026 56.048 -0.301 0.000 1.165 213 H CB -0.763 28.797 29.762 -0.337 0.000 1.253 213 H HN 0.460 nan 8.280 nan 0.000 0.325 214 R N 0.237 120.508 120.500 -0.380 0.000 2.193 214 R HA 0.081 4.421 4.340 -0.000 0.000 0.213 214 R C 0.503 176.679 176.300 -0.206 0.000 1.055 214 R CA 0.674 56.445 56.100 -0.548 0.000 0.995 214 R CB -0.013 29.416 30.300 -1.453 0.000 0.893 214 R HN 0.322 nan 8.270 nan 0.000 0.459 215 Y N 0.179 120.571 120.300 0.154 0.000 2.453 215 Y HA 0.245 4.795 4.550 -0.000 0.000 0.326 215 Y C 1.238 177.223 175.900 0.141 0.000 1.186 215 Y CA -1.043 57.188 58.100 0.219 0.000 1.200 215 Y CB 0.708 39.254 38.460 0.143 0.000 1.247 215 Y HN -0.134 nan 8.280 nan 0.000 0.482 216 T N -1.952 112.805 114.554 0.338 0.000 2.847 216 T HA 0.232 4.582 4.350 -0.000 0.000 0.279 216 T C -2.130 172.645 174.700 0.124 0.000 0.984 216 T CA -1.857 60.364 62.100 0.201 0.000 0.988 216 T CB 1.276 70.263 68.868 0.198 0.000 1.040 216 T HN 0.308 nan 8.240 nan 0.000 0.528 217 P HA -0.161 nan 4.420 nan 0.000 0.215 217 P C 1.877 179.177 177.300 -0.000 0.000 1.157 217 P CA 0.885 63.986 63.100 0.001 0.000 0.868 217 P CB 0.005 31.718 31.700 0.023 0.000 0.788 218 Q N 0.539 120.354 119.800 0.025 0.000 2.124 218 Q HA -0.224 4.116 4.340 -0.000 0.000 0.202 218 Q C 1.813 177.806 176.000 -0.013 0.000 0.977 218 Q CA 1.854 57.653 55.803 -0.008 0.000 0.850 218 Q CB -0.459 28.281 28.738 0.004 0.000 0.901 218 Q HN 0.352 nan 8.270 nan 0.000 0.429 219 E N 0.056 120.288 120.200 0.054 0.000 2.106 219 E HA -0.103 4.247 4.350 -0.000 0.000 0.192 219 E C 1.925 178.489 176.600 -0.059 0.000 0.984 219 E CA 0.888 57.331 56.400 0.072 0.000 0.806 219 E CB -0.089 29.771 29.700 0.268 0.000 0.750 219 E HN 0.465 nan 8.360 nan 0.000 0.458 220 A N 1.450 124.232 122.820 -0.063 0.000 1.930 220 A HA -0.046 4.273 4.320 -0.000 0.000 0.217 220 A C 2.368 179.851 177.584 -0.170 0.000 1.175 220 A CA 1.453 53.376 52.037 -0.191 0.000 0.627 220 A CB -0.491 18.402 19.000 -0.178 0.000 0.815 220 A HN 0.281 nan 8.150 nan 0.000 0.443 221 A N 0.526 123.278 122.820 -0.112 0.000 1.898 221 A HA -0.206 4.114 4.320 -0.000 0.000 0.216 221 A C 2.018 179.545 177.584 -0.095 0.000 1.181 221 A CA 2.039 54.028 52.037 -0.080 0.000 0.620 221 A CB -0.676 18.286 19.000 -0.063 0.000 0.819 221 A HN 0.589 nan 8.150 nan 0.000 0.442 222 N N 0.161 118.795 118.700 -0.109 0.000 2.058 222 N HA -0.160 4.580 4.740 -0.000 0.000 0.191 222 N C 1.605 177.059 175.510 -0.094 0.000 1.037 222 N CA 1.899 54.894 53.050 -0.092 0.000 0.848 222 N CB -0.558 37.888 38.487 -0.067 0.000 1.021 222 N HN 0.300 nan 8.380 nan 0.000 0.422 223 L N 0.549 121.684 121.223 -0.147 0.000 2.046 223 L HA 0.071 4.411 4.340 -0.000 0.000 0.208 223 L C 2.165 178.959 176.870 -0.128 0.000 1.077 223 L CA 2.245 56.982 54.840 -0.170 0.000 0.747 223 L CB -1.303 40.540 42.059 -0.360 0.000 0.896 223 L HN 0.282 nan 8.230 nan 0.000 0.432 224 G N -0.722 108.000 108.800 -0.130 0.000 2.440 224 G HA2 -0.292 3.667 3.960 -0.000 0.000 0.218 224 G HA3 -0.292 3.667 3.960 -0.000 0.000 0.218 224 G C 1.692 176.553 174.900 -0.065 0.000 1.154 224 G CA 0.975 46.019 45.100 -0.094 0.000 0.767 224 G HN 0.439 nan 8.290 nan 0.000 0.552 225 K N -0.360 120.007 120.400 -0.054 0.000 2.057 225 K HA 0.093 4.413 4.320 -0.000 0.000 0.206 225 K C 2.612 179.183 176.600 -0.048 0.000 1.050 225 K CA 1.063 57.325 56.287 -0.041 0.000 0.935 225 K CB -0.217 32.265 32.500 -0.029 0.000 0.715 225 K HN 0.279 nan 8.250 nan 0.000 0.439 226 M N 0.549 120.128 119.600 -0.036 0.000 2.374 226 M HA -0.110 4.370 4.480 -0.000 0.000 0.264 226 M C 1.660 177.976 176.300 0.026 0.000 1.067 226 M CA 1.261 56.559 55.300 -0.003 0.000 1.103 226 M CB -0.060 32.553 32.600 0.021 0.000 1.402 226 M HN 0.133 nan 8.290 nan 0.000 0.444 227 L N -0.995 120.226 121.223 -0.004 0.000 2.529 227 L HA -0.009 4.331 4.340 -0.000 0.000 0.223 227 L C 1.915 178.745 176.870 -0.066 0.000 1.113 227 L CA 0.152 55.015 54.840 0.038 0.000 0.861 227 L CB -0.311 41.704 42.059 -0.074 0.000 1.012 227 L HN 0.264 nan 8.230 nan 0.000 0.461 228 E N 0.834 120.967 120.200 -0.111 0.000 2.097 228 E HA -0.235 4.115 4.350 -0.000 0.000 0.196 228 E C -0.646 175.844 176.600 -0.184 0.000 1.000 228 E CA 1.437 57.769 56.400 -0.115 0.000 0.804 228 E CB -0.793 28.853 29.700 -0.090 0.000 0.740 228 E HN 0.445 nan 8.360 nan 0.000 0.454 229 P HA -0.150 nan 4.420 nan 0.000 0.222 229 P C 0.229 177.327 177.300 -0.337 0.000 1.147 229 P CA 1.131 63.945 63.100 -0.476 0.000 0.790 229 P CB -0.013 31.239 31.700 -0.747 0.000 0.780 230 Y N -1.206 119.215 120.300 0.200 0.000 2.457 230 Y HA 0.170 4.720 4.550 -0.000 0.000 0.263 230 Y C 0.768 176.829 175.900 0.269 0.000 1.164 230 Y CA -0.615 57.631 58.100 0.244 0.000 1.274 230 Y CB -0.991 37.544 38.460 0.126 0.000 1.097 230 Y HN -0.130 nan 8.280 nan 0.000 0.523 231 Q N 0.326 120.300 119.800 0.289 0.000 2.437 231 Q HA -0.205 4.135 4.340 -0.000 0.000 0.354 231 Q C -0.776 175.346 176.000 0.204 0.000 1.402 231 Q CA 0.393 56.343 55.803 0.246 0.000 1.020 231 Q CB -1.624 27.340 28.738 0.377 0.000 1.220 231 Q HN 0.404 nan 8.270 nan 0.000 0.368 232 L N -0.207 121.079 121.223 0.106 0.000 2.452 232 L HA 0.136 4.476 4.340 -0.000 0.000 0.267 232 L C 1.603 178.549 176.870 0.127 0.000 1.188 232 L CA 0.438 55.319 54.840 0.069 0.000 0.821 232 L CB -0.034 41.970 42.059 -0.091 0.000 1.102 232 L HN 0.371 nan 8.230 nan 0.000 0.470 233 F N 1.662 121.589 119.950 -0.038 0.000 2.146 233 F HA 0.001 4.528 4.527 -0.000 0.000 0.298 233 F C 0.089 175.911 175.800 0.036 0.000 1.096 233 F CA 0.945 58.890 58.000 -0.091 0.000 1.275 233 F CB 0.265 39.044 39.000 -0.368 0.000 1.008 233 F HN 0.521 nan 8.300 nan 0.000 0.480 234 W N -0.217 121.103 121.300 0.033 0.000 3.173 234 W HA 0.468 5.127 4.660 -0.000 0.000 0.313 234 W C -2.714 173.775 176.519 -0.050 0.000 1.228 234 W CA -2.385 54.938 57.345 -0.036 0.000 1.185 234 W CB -0.072 29.348 29.460 -0.067 0.000 1.390 234 W HN -0.088 nan 8.180 nan 0.000 0.568 235 L N 3.067 124.474 121.223 0.307 0.000 2.319 235 L HA 0.570 4.910 4.340 -0.000 0.000 0.281 235 L C -0.122 176.753 176.870 0.009 0.000 1.005 235 L CA -0.615 54.321 54.840 0.161 0.000 0.828 235 L CB 1.227 43.304 42.059 0.031 0.000 1.227 235 L HN 0.603 nan 8.230 nan 0.000 0.415 236 E N 3.248 123.421 120.200 -0.045 0.000 2.242 236 E HA 0.225 4.575 4.350 -0.000 0.000 0.275 236 E C -0.632 175.808 176.600 -0.267 0.000 1.002 236 E CA -0.487 55.728 56.400 -0.307 0.000 0.841 236 E CB 0.918 30.416 29.700 -0.337 0.000 1.109 236 E HN 0.710 nan 8.360 nan 0.000 0.394 237 D N 2.401 122.631 120.400 -0.284 0.000 2.706 237 D HA -0.227 4.413 4.640 -0.000 0.000 0.230 237 D C 1.187 177.329 176.300 -0.264 0.000 1.184 237 D CA 0.986 54.791 54.000 -0.325 0.000 0.628 237 D CB -1.831 38.465 40.800 -0.839 0.000 1.019 237 D HN 0.579 nan 8.370 nan 0.000 0.415 238 C N -2.602 116.608 119.300 -0.150 0.000 2.411 238 C HA 0.041 4.501 4.460 -0.000 0.000 0.279 238 C C 1.263 176.237 174.990 -0.028 0.000 1.288 238 C CA 0.812 59.766 59.018 -0.106 0.000 1.764 238 C CB -0.434 27.163 27.740 -0.238 0.000 1.974 238 C HN 0.561 nan 8.230 nan 0.000 0.498 239 T N -0.427 114.081 114.554 -0.076 0.000 2.894 239 T HA 0.551 4.901 4.350 -0.000 0.000 0.309 239 T C -3.173 171.620 174.700 0.155 0.000 1.208 239 T CA -0.736 61.377 62.100 0.022 0.000 1.016 239 T CB 1.526 70.374 68.868 -0.033 0.000 1.192 239 T HN -0.027 nan 8.240 nan 0.000 0.491 240 P HA 0.283 nan 4.420 nan 0.000 0.264 240 P C -0.777 176.633 177.300 0.184 0.000 1.183 240 P CA 0.079 63.241 63.100 0.103 0.000 0.763 240 P CB 0.465 32.136 31.700 -0.048 0.000 0.807 241 A N 2.850 125.793 122.820 0.207 0.000 2.631 241 A HA 0.144 4.464 4.320 -0.000 0.000 0.294 241 A C 1.324 178.972 177.584 0.107 0.000 1.156 241 A CA -0.105 52.057 52.037 0.207 0.000 0.963 241 A CB -0.441 18.700 19.000 0.236 0.000 1.202 241 A HN 0.427 nan 8.150 nan 0.000 0.523 242 E N 0.702 120.939 120.200 0.061 0.000 2.153 242 E HA -0.128 4.222 4.350 -0.000 0.000 0.194 242 E C 0.844 177.437 176.600 -0.011 0.000 0.988 242 E CA 0.833 57.235 56.400 0.003 0.000 0.811 242 E CB 0.010 29.706 29.700 -0.006 0.000 0.746 242 E HN 0.557 nan 8.360 nan 0.000 0.466 243 N N 1.045 119.756 118.700 0.018 0.000 2.462 243 N HA 0.016 4.756 4.740 -0.000 0.000 0.242 243 N C -0.099 175.431 175.510 0.033 0.000 1.010 243 N CA 0.106 53.167 53.050 0.019 0.000 0.939 243 N CB 0.738 39.245 38.487 0.033 0.000 1.127 243 N HN 0.064 nan 8.380 nan 0.000 0.509 244 Q N 1.648 121.445 119.800 -0.006 0.000 2.500 244 Q HA -0.066 4.274 4.340 -0.000 0.000 0.213 244 Q C 0.319 176.334 176.000 0.025 0.000 0.974 244 Q CA 0.924 56.713 55.803 -0.022 0.000 0.918 244 Q CB 0.310 29.004 28.738 -0.073 0.000 0.980 244 Q HN 0.699 nan 8.270 nan 0.000 0.505 245 E N 0.107 120.335 120.200 0.046 0.000 2.481 245 E HA -0.007 4.343 4.350 -0.000 0.000 0.195 245 E C 1.717 178.386 176.600 0.115 0.000 1.047 245 E CA 0.324 56.761 56.400 0.063 0.000 0.867 245 E CB 0.134 29.859 29.700 0.042 0.000 0.858 245 E HN 0.307 nan 8.360 nan 0.000 0.513 246 A N 0.734 123.650 122.820 0.160 0.000 2.024 246 A HA -0.162 4.158 4.320 -0.000 0.000 0.220 246 A C 1.509 179.249 177.584 0.261 0.000 1.164 246 A CA 1.053 53.211 52.037 0.203 0.000 0.643 246 A CB -0.429 18.712 19.000 0.235 0.000 0.806 246 A HN 0.170 nan 8.150 nan 0.000 0.451 247 F N -0.653 119.305 119.950 0.014 0.000 2.789 247 F HA 0.168 4.695 4.527 -0.000 0.000 0.300 247 F C 2.046 177.848 175.800 0.003 0.000 1.132 247 F CA 0.187 58.191 58.000 0.006 0.000 1.404 247 F CB -0.322 38.673 39.000 -0.007 0.000 1.114 247 F HN 0.231 nan 8.300 nan 0.000 0.584 248 R N 0.497 121.092 120.500 0.159 0.000 2.080 248 R HA -0.169 4.171 4.340 -0.000 0.000 0.236 248 R C 2.041 178.376 176.300 0.059 0.000 1.137 248 R CA 1.627 57.777 56.100 0.084 0.000 0.943 248 R CB -0.491 29.844 30.300 0.059 0.000 0.846 248 R HN 0.283 nan 8.270 nan 0.000 0.431 249 L N 0.203 121.467 121.223 0.068 0.000 2.083 249 L HA -0.157 4.183 4.340 -0.000 0.000 0.209 249 L C 2.378 179.318 176.870 0.117 0.000 1.083 249 L CA 0.860 55.764 54.840 0.107 0.000 0.752 249 L CB -0.275 41.847 42.059 0.105 0.000 0.899 249 L HN 0.127 nan 8.230 nan 0.000 0.433 250 V N -0.382 119.543 119.914 0.019 0.000 2.261 250 V HA -0.265 3.854 4.120 -0.000 0.000 0.246 250 V C 2.611 178.706 176.094 0.000 0.000 1.047 250 V CA 1.787 64.065 62.300 -0.037 0.000 1.015 250 V CB -0.640 31.052 31.823 -0.217 0.000 0.642 250 V HN 0.370 nan 8.190 nan 0.000 0.446 251 R N 0.439 120.946 120.500 0.011 0.000 2.120 251 R HA -0.177 4.163 4.340 -0.000 0.000 0.234 251 R C 2.328 178.616 176.300 -0.020 0.000 1.123 251 R CA 1.836 57.943 56.100 0.012 0.000 0.975 251 R CB -0.680 29.643 30.300 0.038 0.000 0.866 251 R HN 0.687 nan 8.270 nan 0.000 0.446 252 Q N -1.337 118.438 119.800 -0.042 0.000 2.230 252 Q HA -0.150 4.190 4.340 -0.000 0.000 0.202 252 Q C 0.808 176.653 176.000 -0.258 0.000 0.963 252 Q CA 1.620 57.332 55.803 -0.152 0.000 0.866 252 Q CB 0.071 28.689 28.738 -0.201 0.000 0.931 252 Q HN 0.603 nan 8.270 nan 0.000 0.452 253 H N -1.531 117.523 119.070 -0.026 0.000 2.648 253 H HA 0.231 4.787 4.556 -0.000 0.000 0.265 253 H C -0.351 174.955 175.328 -0.038 0.000 0.961 253 H CA 0.638 56.668 56.048 -0.030 0.000 1.185 253 H CB 1.286 31.029 29.762 -0.032 0.000 1.449 253 H HN 0.003 nan 8.280 nan 0.000 0.523 254 T N -0.248 114.338 114.554 0.053 0.000 2.903 254 T HA 0.313 4.663 4.350 -0.000 0.000 0.299 254 T C 0.503 175.198 174.700 -0.009 0.000 1.093 254 T CA -0.624 61.483 62.100 0.013 0.000 1.002 254 T CB 1.455 70.319 68.868 -0.007 0.000 1.127 254 T HN 0.013 nan 8.240 nan 0.000 0.488 255 V N 0.819 120.724 119.914 -0.016 0.000 3.483 255 V HA 0.399 4.519 4.120 -0.000 0.000 0.301 255 V C 0.848 176.933 176.094 -0.015 0.000 1.389 255 V CA -0.205 62.084 62.300 -0.019 0.000 1.101 255 V CB -0.496 31.314 31.823 -0.023 0.000 0.971 255 V HN 0.797 nan 8.190 nan 0.000 0.434 256 T N 4.372 118.917 114.554 -0.016 0.000 2.870 256 T HA 0.309 4.659 4.350 -0.000 0.000 0.300 256 T C -2.316 172.391 174.700 0.012 0.000 0.989 256 T CA -0.163 61.932 62.100 -0.008 0.000 1.139 256 T CB 0.965 69.817 68.868 -0.028 0.000 0.920 256 T HN 0.358 nan 8.240 nan 0.000 0.537 257 P HA 0.204 nan 4.420 nan 0.000 0.266 257 P C -0.750 176.619 177.300 0.116 0.000 1.195 257 P CA -0.092 63.054 63.100 0.077 0.000 0.768 257 P CB 0.442 32.213 31.700 0.117 0.000 0.838 258 L N 1.740 123.023 121.223 0.100 0.000 2.346 258 L HA 0.828 5.168 4.340 -0.000 0.000 0.274 258 L C 0.075 176.965 176.870 0.034 0.000 1.007 258 L CA -0.863 54.027 54.840 0.083 0.000 0.818 258 L CB 2.030 44.172 42.059 0.139 0.000 1.284 258 L HN 0.346 nan 8.230 nan 0.000 0.424 259 A N 2.261 124.980 122.820 -0.169 0.000 2.498 259 A HA 0.929 5.249 4.320 -0.000 0.000 0.298 259 A C -1.369 175.984 177.584 -0.385 0.000 1.075 259 A CA -0.632 51.130 52.037 -0.458 0.000 0.714 259 A CB 2.393 20.547 19.000 -1.409 0.000 1.299 259 A HN 0.484 nan 8.150 nan 0.000 0.407 260 V N -0.064 119.594 119.914 -0.427 0.000 3.236 260 V HA 0.689 4.809 4.120 -0.000 0.000 0.287 260 V C 0.446 176.144 176.094 -0.659 0.000 1.491 260 V CA 0.783 62.797 62.300 -0.477 0.000 1.037 260 V CB 1.969 33.523 31.823 -0.449 0.000 1.160 260 V HN 2.597 nan 8.190 nan 0.000 0.453 261 G N 2.688 110.887 108.800 -1.001 0.000 2.318 261 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.172 261 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.172 261 G C 0.582 175.080 174.900 -0.669 0.000 1.002 261 G CA 0.913 45.238 45.100 -1.292 0.000 0.697 261 G HN 1.362 nan 8.290 nan 0.000 0.483 262 E N 1.006 120.919 120.200 -0.479 0.000 2.160 262 E HA -0.115 4.235 4.350 -0.000 0.000 0.195 262 E C 2.348 178.796 176.600 -0.254 0.000 0.991 262 E CA 1.476 57.658 56.400 -0.364 0.000 0.810 262 E CB -0.426 28.888 29.700 -0.644 0.000 0.742 262 E HN 0.958 nan 8.360 nan 0.000 0.466 263 I N -2.100 118.328 120.570 -0.235 0.000 3.793 263 I HA 0.225 4.395 4.170 -0.000 0.000 0.315 263 I C -0.160 176.056 176.117 0.165 0.000 1.275 263 I CA -0.646 60.628 61.300 -0.043 0.000 1.214 263 I CB -0.114 37.858 38.000 -0.045 0.000 1.018 263 I HN -0.226 nan 8.210 nan 0.000 0.439 264 F N 3.650 123.580 119.950 -0.033 0.000 2.410 264 F HA 0.216 4.743 4.527 -0.000 0.000 0.334 264 F C 1.184 177.001 175.800 0.029 0.000 1.134 264 F CA -1.108 56.888 58.000 -0.007 0.000 1.227 264 F CB 0.475 39.462 39.000 -0.022 0.000 1.194 264 F HN 0.263 nan 8.300 nan 0.000 0.571 265 N N -2.025 116.814 118.700 0.231 0.000 2.145 265 N HA 0.113 4.853 4.740 -0.000 0.000 0.219 265 N C -0.393 175.231 175.510 0.191 0.000 1.266 265 N CA 0.075 53.232 53.050 0.177 0.000 0.902 265 N CB 0.623 39.184 38.487 0.123 0.000 1.078 265 N HN 0.484 nan 8.380 nan 0.000 0.513 266 T N -3.740 110.927 114.554 0.189 0.000 2.843 266 T HA 0.330 4.680 4.350 -0.000 0.000 0.302 266 T C 0.374 175.146 174.700 0.120 0.000 1.232 266 T CA -0.941 61.305 62.100 0.243 0.000 1.009 266 T CB 0.983 70.011 68.868 0.267 0.000 1.254 266 T HN 0.004 nan 8.240 nan 0.000 0.504 267 I N -0.081 120.522 120.570 0.055 0.000 2.567 267 I HA 0.015 4.185 4.170 -0.000 0.000 0.257 267 I C 1.332 177.236 176.117 -0.355 0.000 1.184 267 I CA 0.994 62.094 61.300 -0.333 0.000 1.451 267 I CB -0.015 37.595 38.000 -0.650 0.000 1.089 267 I HN 0.770 nan 8.210 nan 0.000 0.441 268 W N 0.698 122.023 121.300 0.042 0.000 2.525 268 W HA -0.133 4.527 4.660 -0.000 0.000 0.259 268 W C 1.817 178.244 176.519 -0.152 0.000 1.253 268 W CA 0.027 57.354 57.345 -0.029 0.000 1.262 268 W CB -0.304 29.166 29.460 0.018 0.000 1.122 268 W HN 0.144 nan 8.180 nan 0.000 0.607 269 D N -0.332 119.996 120.400 -0.120 0.000 2.323 269 D HA 0.022 4.662 4.640 -0.000 0.000 0.209 269 D C 1.781 177.641 176.300 -0.733 0.000 0.973 269 D CA 1.091 54.771 54.000 -0.533 0.000 0.874 269 D CB 0.038 40.270 40.800 -0.947 0.000 0.930 269 D HN 0.206 nan 8.370 nan 0.000 0.521 270 A N 0.473 123.066 122.820 -0.378 0.000 2.498 270 A HA 0.039 4.359 4.320 -0.000 0.000 0.238 270 A C 1.822 179.330 177.584 -0.128 0.000 1.225 270 A CA -0.078 51.832 52.037 -0.213 0.000 0.978 270 A CB 0.153 19.149 19.000 -0.007 0.000 1.142 270 A HN 0.126 nan 8.150 nan 0.000 0.552 271 K N 0.439 120.775 120.400 -0.106 0.000 2.074 271 K HA -0.221 4.099 4.320 -0.000 0.000 0.209 271 K C 0.650 177.202 176.600 -0.079 0.000 1.048 271 K CA 1.997 58.241 56.287 -0.072 0.000 0.926 271 K CB -0.357 32.144 32.500 0.002 0.000 0.713 271 K HN 0.189 nan 8.250 nan 0.000 0.444 272 D N 1.080 121.435 120.400 -0.075 0.000 2.162 272 D HA -0.015 4.625 4.640 -0.000 0.000 0.203 272 D C 2.115 178.338 176.300 -0.129 0.000 0.967 272 D CA 0.780 54.726 54.000 -0.089 0.000 0.840 272 D CB -0.157 40.608 40.800 -0.058 0.000 0.972 272 D HN 0.173 nan 8.370 nan 0.000 0.482 273 L N 0.389 121.529 121.223 -0.139 0.000 2.083 273 L HA -0.128 4.211 4.340 -0.000 0.000 0.209 273 L C 2.351 179.116 176.870 -0.176 0.000 1.083 273 L CA 0.790 55.530 54.840 -0.168 0.000 0.752 273 L CB -0.189 41.742 42.059 -0.214 0.000 0.899 273 L HN 0.028 nan 8.230 nan 0.000 0.433 274 I N -1.078 119.388 120.570 -0.173 0.000 2.206 274 I HA -0.234 3.936 4.170 -0.000 0.000 0.239 274 I C 2.520 178.372 176.117 -0.441 0.000 1.078 274 I CA 1.030 62.209 61.300 -0.202 0.000 1.367 274 I CB -0.267 37.669 38.000 -0.107 0.000 1.078 274 I HN 0.242 nan 8.210 nan 0.000 0.413 275 Q N 0.653 120.183 119.800 -0.450 0.000 2.170 275 Q HA -0.152 4.188 4.340 -0.000 0.000 0.203 275 Q C 1.205 176.803 176.000 -0.670 0.000 0.976 275 Q CA 1.066 56.416 55.803 -0.755 0.000 0.858 275 Q CB -0.168 28.400 28.738 -0.284 0.000 0.907 275 Q HN 0.463 nan 8.270 nan 0.000 0.433 276 N N 0.781 119.263 118.700 -0.364 0.000 2.383 276 N HA -0.006 4.734 4.740 -0.000 0.000 0.192 276 N C -0.639 174.746 175.510 -0.207 0.000 1.141 276 N CA 0.223 53.135 53.050 -0.229 0.000 0.851 276 N CB 0.468 38.882 38.487 -0.123 0.000 0.976 276 N HN 0.218 nan 8.380 nan 0.000 0.465 277 Q N 0.056 119.678 119.800 -0.297 0.000 2.443 277 Q HA -0.172 4.168 4.340 -0.000 0.000 0.337 277 Q C 0.229 176.176 176.000 -0.088 0.000 1.401 277 Q CA 0.259 55.955 55.803 -0.178 0.000 0.943 277 Q CB -1.664 27.011 28.738 -0.106 0.000 1.177 277 Q HN 0.437 nan 8.270 nan 0.000 0.394 278 L N -0.267 120.911 121.223 -0.075 0.000 2.616 278 L HA 0.320 4.660 4.340 -0.000 0.000 0.229 278 L C 0.972 177.884 176.870 0.069 0.000 1.110 278 L CA 0.280 55.133 54.840 0.022 0.000 0.884 278 L CB 0.198 42.288 42.059 0.051 0.000 1.115 278 L HN 0.406 nan 8.230 nan 0.000 0.481 279 I N -5.716 114.837 120.570 -0.029 0.000 2.969 279 I HA 0.423 4.593 4.170 -0.000 0.000 0.307 279 I C -0.480 175.580 176.117 -0.094 0.000 1.149 279 I CA -0.747 60.534 61.300 -0.031 0.000 1.008 279 I CB 2.284 40.218 38.000 -0.110 0.000 1.232 279 I HN -0.221 nan 8.210 nan 0.000 0.435 280 D N 1.366 121.694 120.400 -0.120 0.000 2.422 280 D HA 0.135 4.775 4.640 -0.000 0.000 0.218 280 D C -0.770 175.184 176.300 -0.576 0.000 1.047 280 D CA 1.242 55.045 54.000 -0.329 0.000 0.885 280 D CB 0.608 41.211 40.800 -0.329 0.000 1.035 280 D HN 0.456 nan 8.370 nan 0.000 0.502 281 Y N 0.300 120.527 120.300 -0.122 0.000 2.421 281 Y HA 0.366 4.916 4.550 -0.000 0.000 0.339 281 Y C -0.524 175.255 175.900 -0.202 0.000 0.996 281 Y CA -1.141 56.882 58.100 -0.129 0.000 1.046 281 Y CB 2.027 40.427 38.460 -0.100 0.000 1.226 281 Y HN -0.265 nan 8.280 nan 0.000 0.445 282 I N 4.128 124.705 120.570 0.012 0.000 2.331 282 I HA 0.408 4.578 4.170 -0.000 0.000 0.292 282 I C 0.515 176.614 176.117 -0.030 0.000 0.998 282 I CA -0.417 60.858 61.300 -0.043 0.000 1.267 282 I CB 0.784 38.784 38.000 0.001 0.000 1.386 282 I HN 0.610 nan 8.210 nan 0.000 0.476 283 R N 5.834 126.252 120.500 -0.137 0.000 2.317 283 R HA 0.353 4.693 4.340 -0.000 0.000 0.208 283 R C 0.447 176.730 176.300 -0.029 0.000 0.914 283 R CA 0.040 56.084 56.100 -0.094 0.000 1.060 283 R CB -0.355 29.810 30.300 -0.225 0.000 1.015 283 R HN 0.702 nan 8.270 nan 0.000 0.498 284 A N 1.880 124.688 122.820 -0.021 0.000 2.520 284 A HA 0.163 4.483 4.320 -0.000 0.000 0.235 284 A C 0.753 178.357 177.584 0.033 0.000 1.065 284 A CA 0.353 52.408 52.037 0.030 0.000 0.764 284 A CB 0.178 19.224 19.000 0.076 0.000 1.002 284 A HN 0.337 nan 8.150 nan 0.000 0.502 285 T N -1.540 113.043 114.554 0.048 0.000 2.926 285 T HA 0.479 4.829 4.350 -0.000 0.000 0.289 285 T C 0.920 175.605 174.700 -0.024 0.000 1.054 285 T CA -0.125 61.985 62.100 0.018 0.000 1.015 285 T CB 0.988 69.913 68.868 0.096 0.000 1.167 285 T HN 0.432 nan 8.240 nan 0.000 0.526 286 V N 0.917 120.786 119.914 -0.074 0.000 2.407 286 V HA -0.099 4.021 4.120 -0.000 0.000 0.248 286 V C 2.590 178.709 176.094 0.042 0.000 1.055 286 V CA 1.746 64.012 62.300 -0.056 0.000 1.049 286 V CB -0.611 31.171 31.823 -0.068 0.000 0.662 286 V HN 0.756 nan 8.190 nan 0.000 0.455 287 V N 0.478 120.424 119.914 0.053 0.000 2.649 287 V HA 0.040 4.160 4.120 -0.000 0.000 0.248 287 V C 2.298 178.450 176.094 0.097 0.000 1.054 287 V CA 1.967 64.314 62.300 0.080 0.000 1.073 287 V CB -0.006 31.862 31.823 0.074 0.000 0.699 287 V HN 0.537 nan 8.190 nan 0.000 0.463 288 G N -0.654 108.209 108.800 0.105 0.000 2.430 288 G HA2 0.101 4.061 3.960 -0.000 0.000 0.216 288 G HA3 0.101 4.061 3.960 -0.000 0.000 0.216 288 G C 1.022 175.997 174.900 0.126 0.000 1.146 288 G CA 0.674 45.842 45.100 0.113 0.000 0.793 288 G HN 0.756 nan 8.290 nan 0.000 0.537 289 A N -0.222 122.683 122.820 0.141 0.000 2.911 289 A HA 0.573 4.893 4.320 -0.000 0.000 0.304 289 A C 1.322 179.074 177.584 0.280 0.000 1.144 289 A CA 0.615 52.776 52.037 0.206 0.000 0.988 289 A CB -0.623 18.503 19.000 0.211 0.000 1.141 289 A HN 1.496 nan 8.150 nan 0.000 0.552 290 G N -0.778 108.166 108.800 0.240 0.000 2.160 290 G HA2 0.225 4.184 3.960 -0.000 0.000 0.244 290 G HA3 0.225 4.184 3.960 -0.000 0.000 0.244 290 G C 1.390 176.566 174.900 0.461 0.000 1.022 290 G CA 0.507 45.827 45.100 0.366 0.000 0.741 290 G HN 2.570 nan 8.290 nan 0.000 0.508 291 G N -1.667 107.300 108.800 0.278 0.000 2.741 291 G HA2 -0.007 3.953 3.960 -0.000 0.000 0.222 291 G HA3 -0.007 3.953 3.960 -0.000 0.000 0.222 291 G C 0.676 175.658 174.900 0.137 0.000 1.364 291 G CA -0.156 45.090 45.100 0.244 0.000 0.866 291 G HN 0.995 nan 8.290 nan 0.000 0.555 292 L N 0.327 121.609 121.223 0.098 0.000 2.046 292 L HA -0.058 4.282 4.340 -0.000 0.000 0.208 292 L C 3.278 180.125 176.870 -0.039 0.000 1.077 292 L CA 2.957 57.745 54.840 -0.087 0.000 0.747 292 L CB -2.169 39.633 42.059 -0.428 0.000 0.896 292 L HN 0.819 nan 8.230 nan 0.000 0.432 293 T N -1.630 113.005 114.554 0.135 0.000 2.665 293 T HA -0.260 4.090 4.350 -0.000 0.000 0.268 293 T C 1.926 176.511 174.700 -0.192 0.000 1.035 293 T CA 1.997 64.108 62.100 0.017 0.000 1.151 293 T CB -0.246 68.571 68.868 -0.085 0.000 0.862 293 T HN 0.372 nan 8.240 nan 0.000 0.438 294 H N -0.111 118.806 119.070 -0.256 0.000 2.431 294 H HA 0.240 4.796 4.556 -0.000 0.000 0.295 294 H C 1.894 177.150 175.328 -0.120 0.000 1.038 294 H CA 0.557 56.455 56.048 -0.251 0.000 1.360 294 H CB -0.386 29.367 29.762 -0.014 0.000 1.433 294 H HN 0.123 nan 8.280 nan 0.000 0.536 295 L N 0.816 121.996 121.223 -0.071 0.000 2.131 295 L HA -0.099 4.241 4.340 -0.000 0.000 0.210 295 L C 2.490 179.343 176.870 -0.028 0.000 1.092 295 L CA 1.586 56.332 54.840 -0.156 0.000 0.759 295 L CB -0.577 41.261 42.059 -0.368 0.000 0.903 295 L HN 0.194 nan 8.230 nan 0.000 0.435 296 R N -0.765 119.783 120.500 0.080 0.000 2.091 296 R HA -0.181 4.159 4.340 -0.000 0.000 0.238 296 R C 2.397 178.751 176.300 0.091 0.000 1.136 296 R CA 1.647 57.909 56.100 0.270 0.000 0.959 296 R CB -0.128 30.258 30.300 0.142 0.000 0.856 296 R HN 0.313 nan 8.270 nan 0.000 0.437 297 R N -0.066 120.365 120.500 -0.116 0.000 2.092 297 R HA -0.021 4.319 4.340 -0.000 0.000 0.231 297 R C 2.295 178.472 176.300 -0.205 0.000 1.119 297 R CA 1.529 57.509 56.100 -0.200 0.000 0.970 297 R CB -0.214 29.867 30.300 -0.364 0.000 0.864 297 R HN 0.287 nan 8.270 nan 0.000 0.440 298 I N 0.318 120.738 120.570 -0.250 0.000 2.202 298 I HA -0.249 3.921 4.170 -0.000 0.000 0.242 298 I C 2.517 178.612 176.117 -0.036 0.000 1.091 298 I CA 1.246 62.441 61.300 -0.174 0.000 1.368 298 I CB -0.394 37.512 38.000 -0.157 0.000 1.058 298 I HN 0.204 nan 8.210 nan 0.000 0.410 299 A N 0.391 123.251 122.820 0.067 0.000 1.933 299 A HA -0.230 4.090 4.320 -0.000 0.000 0.218 299 A C 1.960 179.568 177.584 0.039 0.000 1.175 299 A CA 1.957 54.067 52.037 0.121 0.000 0.628 299 A CB -0.535 18.650 19.000 0.308 0.000 0.814 299 A HN 0.342 nan 8.150 nan 0.000 0.444 300 D N -0.500 119.922 120.400 0.037 0.000 2.117 300 D HA -0.113 4.527 4.640 -0.000 0.000 0.198 300 D C 1.859 178.150 176.300 -0.014 0.000 0.982 300 D CA 1.210 55.214 54.000 0.008 0.000 0.828 300 D CB -0.341 40.474 40.800 0.025 0.000 0.967 300 D HN 0.355 nan 8.370 nan 0.000 0.464 301 L N 1.063 122.273 121.223 -0.022 0.000 2.046 301 L HA -0.070 4.270 4.340 -0.000 0.000 0.208 301 L C 2.142 179.044 176.870 0.053 0.000 1.077 301 L CA 1.778 56.619 54.840 0.001 0.000 0.747 301 L CB -0.781 41.256 42.059 -0.037 0.000 0.896 301 L HN -0.041 nan 8.230 nan 0.000 0.432 302 A N -0.690 122.145 122.820 0.025 0.000 1.908 302 A HA -0.254 4.065 4.320 -0.000 0.000 0.218 302 A C 2.502 180.100 177.584 0.024 0.000 1.181 302 A CA 2.260 54.318 52.037 0.035 0.000 0.627 302 A CB -1.272 17.730 19.000 0.003 0.000 0.818 302 A HN 0.693 nan 8.150 nan 0.000 0.445 303 S N 0.220 115.908 115.700 -0.020 0.000 2.400 303 S HA -0.146 4.324 4.470 -0.000 0.000 0.232 303 S C 1.821 176.368 174.600 -0.087 0.000 1.025 303 S CA 1.521 59.685 58.200 -0.060 0.000 0.993 303 S CB -0.847 62.306 63.200 -0.078 0.000 0.808 303 S HN 0.477 nan 8.310 nan 0.000 0.478 304 L N -1.090 120.070 121.223 -0.105 0.000 2.187 304 L HA -0.051 4.289 4.340 -0.000 0.000 0.213 304 L C 1.443 178.029 176.870 -0.473 0.000 1.100 304 L CA 1.313 55.984 54.840 -0.281 0.000 0.765 304 L CB -0.482 41.377 42.059 -0.333 0.000 0.904 304 L HN 0.381 nan 8.230 nan 0.000 0.437 305 Y N -0.982 119.278 120.300 -0.067 0.000 2.636 305 Y HA 0.167 4.717 4.550 -0.000 0.000 0.260 305 Y C 0.736 176.581 175.900 -0.091 0.000 1.177 305 Y CA -0.582 57.475 58.100 -0.071 0.000 1.209 305 Y CB 0.093 38.513 38.460 -0.068 0.000 1.166 305 Y HN 0.114 nan 8.280 nan 0.000 0.531 306 Q N -0.970 118.816 119.800 -0.024 0.000 2.481 306 Q HA -0.175 4.165 4.340 -0.000 0.000 0.258 306 Q C -0.415 175.522 176.000 -0.106 0.000 0.961 306 Q CA 0.485 56.246 55.803 -0.070 0.000 1.121 306 Q CB -1.871 26.823 28.738 -0.073 0.000 1.503 306 Q HN 0.178 nan 8.270 nan 0.000 0.544 307 V N 0.957 120.825 119.914 -0.076 0.000 2.583 307 V HA 0.245 4.365 4.120 -0.000 0.000 0.287 307 V C 0.797 176.800 176.094 -0.151 0.000 1.051 307 V CA 0.220 62.434 62.300 -0.143 0.000 1.010 307 V CB 1.380 33.157 31.823 -0.078 0.000 0.988 307 V HN 0.175 nan 8.190 nan 0.000 0.478 308 R N 1.672 122.027 120.500 -0.242 0.000 2.758 308 R HA 0.579 4.919 4.340 -0.000 0.000 0.265 308 R C -0.004 176.322 176.300 0.045 0.000 1.016 308 R CA -0.612 55.415 56.100 -0.121 0.000 1.040 308 R CB 1.560 31.764 30.300 -0.160 0.000 1.152 308 R HN 0.835 nan 8.270 nan 0.000 0.503 309 T N -1.857 112.750 114.554 0.088 0.000 2.897 309 T HA 0.460 4.810 4.350 -0.000 0.000 0.294 309 T C 0.589 175.412 174.700 0.205 0.000 1.004 309 T CA -0.579 61.624 62.100 0.173 0.000 1.106 309 T CB 1.402 70.435 68.868 0.276 0.000 0.949 309 T HN 0.701 nan 8.240 nan 0.000 0.520 310 G N 1.640 110.594 108.800 0.257 0.000 4.632 310 G HA2 0.403 4.363 3.960 -0.000 0.000 0.244 310 G HA3 0.403 4.363 3.960 -0.000 0.000 0.244 310 G C 0.115 175.206 174.900 0.319 0.000 1.070 310 G CA -0.722 44.592 45.100 0.357 0.000 0.791 310 G HN 1.027 nan 8.290 nan 0.000 0.544 311 C N 1.500 120.956 119.300 0.259 0.000 2.378 311 C HA 0.050 4.510 4.460 -0.000 0.000 0.395 311 C C 1.263 176.405 174.990 0.253 0.000 1.476 311 C CA 0.005 59.153 59.018 0.218 0.000 1.541 311 C CB -1.071 26.780 27.740 0.185 0.000 2.524 311 C HN 0.757 nan 8.230 nan 0.000 0.595 312 H N 1.208 120.353 119.070 0.126 0.000 2.871 312 H HA 0.391 4.947 4.556 -0.000 0.000 0.355 312 H C 0.777 176.170 175.328 0.109 0.000 1.092 312 H CA 0.884 57.017 56.048 0.141 0.000 1.420 312 H CB 0.484 30.301 29.762 0.092 0.000 1.400 312 H HN 0.763 nan 8.280 nan 0.000 0.604 313 G N 3.069 111.687 108.800 -0.304 0.000 5.252 313 G HA2 0.495 4.455 3.960 -0.000 0.000 0.214 313 G HA3 0.495 4.455 3.960 -0.000 0.000 0.214 313 G C -0.200 174.520 174.900 -0.300 0.000 0.817 313 G CA 0.158 45.097 45.100 -0.268 0.000 0.715 313 G HN 0.860 nan 8.290 nan 0.000 0.480 314 A N 0.105 122.617 122.820 -0.515 0.000 2.327 314 A HA 0.576 4.895 4.320 -0.000 0.000 0.255 314 A C 1.997 179.503 177.584 -0.131 0.000 1.099 314 A CA 0.763 52.671 52.037 -0.215 0.000 0.801 314 A CB 0.181 19.187 19.000 0.010 0.000 1.062 314 A HN 0.843 nan 8.150 nan 0.000 0.496 315 T N -1.283 113.226 114.554 -0.075 0.000 2.929 315 T HA -0.154 4.196 4.350 -0.000 0.000 0.271 315 T C 0.840 175.720 174.700 0.299 0.000 1.085 315 T CA 1.571 63.682 62.100 0.018 0.000 1.125 315 T CB -0.529 68.333 68.868 -0.010 0.000 0.874 315 T HN 0.752 nan 8.240 nan 0.000 0.494 316 D N 0.514 121.024 120.400 0.184 0.000 2.378 316 D HA 0.005 4.645 4.640 -0.000 0.000 0.227 316 D C 0.006 176.497 176.300 0.319 0.000 1.012 316 D CA -0.032 54.090 54.000 0.203 0.000 0.905 316 D CB -0.159 40.713 40.800 0.120 0.000 0.895 316 D HN 0.333 nan 8.370 nan 0.000 0.532 317 L N 1.915 123.310 121.223 0.287 0.000 2.262 317 L HA 0.170 4.510 4.340 -0.000 0.000 0.288 317 L C 0.698 177.668 176.870 0.166 0.000 1.035 317 L CA -0.773 54.175 54.840 0.180 0.000 0.820 317 L CB 1.430 43.520 42.059 0.051 0.000 1.204 317 L HN -0.020 nan 8.230 nan 0.000 0.424 318 S N 4.247 119.885 115.700 -0.103 0.000 2.587 318 S HA 0.265 4.735 4.470 -0.000 0.000 0.260 318 S C -1.695 172.503 174.600 -0.669 0.000 1.353 318 S CA -0.687 56.995 58.200 -0.863 0.000 0.995 318 S CB 0.482 62.914 63.200 -1.279 0.000 0.912 318 S HN 0.512 nan 8.310 nan 0.000 0.568 319 P HA -0.046 nan 4.420 nan 0.000 0.221 319 P C 1.413 178.553 177.300 -0.266 0.000 1.145 319 P CA 0.569 63.410 63.100 -0.433 0.000 0.795 319 P CB -0.110 31.325 31.700 -0.440 0.000 0.775 320 V N -0.841 118.798 119.914 -0.459 0.000 2.358 320 V HA -0.233 3.887 4.120 -0.000 0.000 0.246 320 V C 2.299 178.230 176.094 -0.272 0.000 1.047 320 V CA 2.430 64.534 62.300 -0.327 0.000 1.035 320 V CB -1.693 29.955 31.823 -0.291 0.000 0.658 320 V HN 0.181 nan 8.190 nan 0.000 0.452 321 T N -0.237 114.185 114.554 -0.221 0.000 2.777 321 T HA -0.221 4.129 4.350 -0.000 0.000 0.266 321 T C 1.897 176.524 174.700 -0.123 0.000 1.040 321 T CA 2.051 64.075 62.100 -0.126 0.000 1.141 321 T CB -0.305 68.519 68.868 -0.073 0.000 0.868 321 T HN 0.331 nan 8.240 nan 0.000 0.444 322 M N 1.575 121.081 119.600 -0.157 0.000 2.159 322 M HA 0.065 4.545 4.480 -0.000 0.000 0.263 322 M C 2.197 178.302 176.300 -0.324 0.000 1.063 322 M CA 1.551 56.691 55.300 -0.266 0.000 1.110 322 M CB -1.041 31.332 32.600 -0.378 0.000 1.374 322 M HN 0.223 nan 8.290 nan 0.000 0.411 323 G N -0.893 107.823 108.800 -0.140 0.000 2.421 323 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.216 323 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.216 323 G C 1.557 176.540 174.900 0.137 0.000 1.171 323 G CA 1.093 46.234 45.100 0.069 0.000 0.775 323 G HN 0.573 nan 8.290 nan 0.000 0.543 324 C N 0.920 120.257 119.300 0.061 0.000 2.425 324 C HA 0.193 4.653 4.460 -0.000 0.000 0.277 324 C C 3.540 178.623 174.990 0.155 0.000 1.280 324 C CA 0.774 59.882 59.018 0.150 0.000 1.744 324 C CB -0.924 26.848 27.740 0.053 0.000 1.989 324 C HN 0.567 nan 8.230 nan 0.000 0.491 325 A N 0.261 123.109 122.820 0.047 0.000 1.933 325 A HA -0.081 4.239 4.320 -0.000 0.000 0.218 325 A C 2.098 179.749 177.584 0.111 0.000 1.175 325 A CA 1.381 53.464 52.037 0.078 0.000 0.628 325 A CB -0.538 18.457 19.000 -0.007 0.000 0.814 325 A HN 0.627 nan 8.150 nan 0.000 0.444 326 L N -1.620 119.572 121.223 -0.052 0.000 2.156 326 L HA -0.119 4.221 4.340 -0.000 0.000 0.208 326 L C 2.585 179.391 176.870 -0.106 0.000 1.095 326 L CA 0.913 55.651 54.840 -0.170 0.000 0.770 326 L CB -0.668 41.181 42.059 -0.349 0.000 0.914 326 L HN 0.461 nan 8.230 nan 0.000 0.439 327 H N -1.005 118.125 119.070 0.100 0.000 2.357 327 H HA -0.176 4.380 4.556 -0.000 0.000 0.301 327 H C 2.083 177.544 175.328 0.221 0.000 1.082 327 H CA 1.773 57.935 56.048 0.189 0.000 1.342 327 H CB -0.160 29.739 29.762 0.229 0.000 1.389 327 H HN 0.268 nan 8.280 nan 0.000 0.511 328 F N 2.300 122.375 119.950 0.208 0.000 2.075 328 F HA -0.187 4.340 4.527 -0.000 0.000 0.297 328 F C 1.948 177.859 175.800 0.185 0.000 1.113 328 F CA 1.452 59.595 58.000 0.239 0.000 1.218 328 F CB -0.148 38.951 39.000 0.165 0.000 0.984 328 F HN -0.034 nan 8.300 nan 0.000 0.472 329 D N -0.408 120.065 120.400 0.122 0.000 2.182 329 D HA -0.152 4.488 4.640 -0.000 0.000 0.201 329 D C 2.250 178.295 176.300 -0.425 0.000 0.986 329 D CA 1.865 55.776 54.000 -0.150 0.000 0.847 329 D CB -0.636 40.051 40.800 -0.189 0.000 0.942 329 D HN 0.318 nan 8.370 nan 0.000 0.467 330 T N -0.412 113.965 114.554 -0.295 0.000 2.915 330 T HA -0.120 4.230 4.350 -0.000 0.000 0.269 330 T C 1.505 176.082 174.700 -0.206 0.000 1.071 330 T CA 0.889 62.783 62.100 -0.343 0.000 1.132 330 T CB -0.011 68.617 68.868 -0.400 0.000 0.878 330 T HN 0.374 nan 8.240 nan 0.000 0.479 331 W N 1.409 122.572 121.300 -0.229 0.000 2.644 331 W HA 0.393 5.053 4.660 -0.000 0.000 0.279 331 W C 0.429 176.811 176.519 -0.228 0.000 1.164 331 W CA -0.478 56.768 57.345 -0.165 0.000 1.457 331 W CB -0.457 28.951 29.460 -0.086 0.000 1.087 331 W HN -0.163 nan 8.180 nan 0.000 0.573 332 V N 5.912 125.099 119.914 -1.211 0.000 2.583 332 V HA -0.113 4.006 4.120 -0.000 0.000 0.302 332 V C -0.584 174.947 176.094 -0.938 0.000 1.033 332 V CA -0.056 61.242 62.300 -1.671 0.000 1.194 332 V CB 0.979 32.028 31.823 -1.291 0.000 0.879 332 V HN 0.132 nan 8.190 nan 0.000 0.482 333 P HA -0.135 nan 4.420 nan 0.000 0.216 333 P C 0.612 177.761 177.300 -0.251 0.000 1.153 333 P CA 1.260 64.096 63.100 -0.439 0.000 0.848 333 P CB -0.113 31.375 31.700 -0.353 0.000 0.787 334 N N -0.022 118.535 118.700 -0.238 0.000 2.597 334 N HA -0.016 4.723 4.740 -0.000 0.000 0.269 334 N C -0.292 175.189 175.510 -0.048 0.000 1.204 334 N CA -0.697 52.279 53.050 -0.122 0.000 0.947 334 N CB -1.295 37.122 38.487 -0.117 0.000 1.258 334 N HN 0.065 nan 8.380 nan 0.000 0.508 335 F N 0.833 120.684 119.950 -0.164 0.000 2.529 335 F HA 0.460 4.986 4.527 -0.000 0.000 0.365 335 F C 1.197 177.029 175.800 0.052 0.000 1.102 335 F CA 0.086 58.042 58.000 -0.074 0.000 1.271 335 F CB 1.003 39.922 39.000 -0.135 0.000 1.120 335 F HN 0.134 nan 8.300 nan 0.000 0.579 336 G N 5.459 113.780 108.800 -0.799 0.000 2.865 336 G HA2 0.286 4.246 3.960 -0.000 0.000 0.204 336 G HA3 0.286 4.246 3.960 -0.000 0.000 0.204 336 G C -0.415 174.051 174.900 -0.724 0.000 1.140 336 G CA 0.382 45.273 45.100 -0.348 0.000 0.842 336 G HN 0.689 nan 8.290 nan 0.000 0.631 337 I N -1.141 118.879 120.570 -0.918 0.000 2.961 337 I HA 0.430 4.600 4.170 -0.000 0.000 0.303 337 I C -2.262 173.800 176.117 -0.091 0.000 1.505 337 I CA -0.915 60.096 61.300 -0.481 0.000 0.964 337 I CB 2.410 40.249 38.000 -0.269 0.000 1.348 337 I HN 0.144 nan 8.210 nan 0.000 0.508 338 Q N 4.143 124.037 119.800 0.156 0.000 2.310 338 Q HA 0.347 4.687 4.340 -0.000 0.000 0.270 338 Q C -1.192 174.772 176.000 -0.060 0.000 1.025 338 Q CA -0.424 55.473 55.803 0.157 0.000 0.772 338 Q CB 1.632 30.483 28.738 0.190 0.000 1.253 338 Q HN 0.517 nan 8.270 nan 0.000 0.450 339 E N 3.278 123.390 120.200 -0.147 0.000 2.384 339 E HA 0.087 4.437 4.350 -0.000 0.000 0.266 339 E C -1.448 175.013 176.600 -0.232 0.000 1.012 339 E CA -0.189 55.831 56.400 -0.634 0.000 0.901 339 E CB 0.517 30.022 29.700 -0.325 0.000 0.967 339 E HN 0.620 nan 8.360 nan 0.000 0.435 340 Y N 5.541 125.616 120.300 -0.375 0.000 2.402 340 Y HA 0.317 4.867 4.550 -0.000 0.000 0.325 340 Y C -1.419 174.440 175.900 -0.067 0.000 1.009 340 Y CA -1.074 56.899 58.100 -0.211 0.000 1.278 340 Y CB 0.837 39.147 38.460 -0.250 0.000 1.105 340 Y HN 0.587 nan 8.280 nan 0.000 0.476 341 M N 6.463 125.882 119.600 -0.301 0.000 2.205 341 M HA 0.528 5.008 4.480 -0.000 0.000 0.344 341 M C -0.493 175.430 176.300 -0.629 0.000 1.085 341 M CA -0.594 54.424 55.300 -0.469 0.000 1.001 341 M CB 0.871 33.217 32.600 -0.423 0.000 1.626 341 M HN 0.617 nan 8.290 nan 0.000 0.442 342 R N 3.236 123.383 120.500 -0.589 0.000 2.438 342 R HA 0.231 4.570 4.340 -0.000 0.000 0.287 342 R C -0.385 175.746 176.300 -0.282 0.000 1.077 342 R CA -0.420 55.415 56.100 -0.441 0.000 1.034 342 R CB 0.385 30.529 30.300 -0.260 0.000 0.993 342 R HN 0.613 nan 8.270 nan 0.000 0.459 343 H N 0.683 119.737 119.070 -0.026 0.000 2.546 343 H HA 0.065 4.621 4.556 -0.000 0.000 0.365 343 H C 0.654 175.955 175.328 -0.045 0.000 1.220 343 H CA -0.004 56.031 56.048 -0.023 0.000 1.386 343 H CB 1.098 30.893 29.762 0.054 0.000 1.510 343 H HN 0.604 nan 8.280 nan 0.000 0.591 344 T N -1.524 113.079 114.554 0.081 0.000 2.813 344 T HA 0.048 4.398 4.350 -0.000 0.000 0.297 344 T C 1.205 175.950 174.700 0.075 0.000 1.036 344 T CA -0.647 61.460 62.100 0.012 0.000 1.044 344 T CB 0.858 69.704 68.868 -0.037 0.000 0.993 344 T HN 0.563 nan 8.240 nan 0.000 0.535 345 E N 0.563 120.799 120.200 0.059 0.000 2.110 345 E HA -0.165 4.185 4.350 -0.000 0.000 0.193 345 E C 2.057 178.688 176.600 0.052 0.000 0.988 345 E CA 1.326 57.771 56.400 0.075 0.000 0.804 345 E CB -0.092 29.649 29.700 0.068 0.000 0.745 345 E HN 0.714 nan 8.360 nan 0.000 0.458 346 E N 0.216 120.416 120.200 0.000 0.000 2.077 346 E HA -0.132 4.218 4.350 -0.000 0.000 0.193 346 E C 2.126 178.669 176.600 -0.095 0.000 0.989 346 E CA 1.403 57.749 56.400 -0.090 0.000 0.800 346 E CB -0.438 29.103 29.700 -0.264 0.000 0.746 346 E HN 0.104 nan 8.360 nan 0.000 0.452 347 T N 1.071 115.619 114.554 -0.010 0.000 2.746 347 T HA -0.130 4.219 4.350 -0.000 0.000 0.267 347 T C 1.143 175.917 174.700 0.123 0.000 1.039 347 T CA 1.461 63.613 62.100 0.086 0.000 1.142 347 T CB -0.344 68.613 68.868 0.149 0.000 0.866 347 T HN 0.106 nan 8.240 nan 0.000 0.444 348 D N 1.136 121.622 120.400 0.143 0.000 2.178 348 D HA -0.002 4.638 4.640 -0.000 0.000 0.201 348 D C 2.244 178.640 176.300 0.160 0.000 0.980 348 D CA 1.061 55.206 54.000 0.242 0.000 0.842 348 D CB -0.305 40.663 40.800 0.279 0.000 0.948 348 D HN 0.414 nan 8.370 nan 0.000 0.472 349 A N 0.343 123.210 122.820 0.079 0.000 1.929 349 A HA -0.077 4.243 4.320 -0.000 0.000 0.216 349 A C 2.452 180.034 177.584 -0.003 0.000 1.176 349 A CA 0.788 52.849 52.037 0.039 0.000 0.628 349 A CB -0.482 18.545 19.000 0.046 0.000 0.816 349 A HN 0.141 nan 8.150 nan 0.000 0.444 350 V N -1.628 118.244 119.914 -0.069 0.000 2.667 350 V HA -0.079 4.041 4.120 -0.000 0.000 0.252 350 V C 0.431 176.249 176.094 -0.460 0.000 1.065 350 V CA 1.047 63.181 62.300 -0.276 0.000 1.083 350 V CB -0.699 30.869 31.823 -0.426 0.000 0.692 350 V HN 0.490 nan 8.190 nan 0.000 0.468 351 F N 0.296 120.252 119.950 0.009 0.000 2.389 351 F HA 0.449 4.976 4.527 -0.000 0.000 0.327 351 F C -2.457 173.428 175.800 0.141 0.000 1.204 351 F CA -3.095 54.925 58.000 0.034 0.000 1.209 351 F CB 0.164 39.115 39.000 -0.081 0.000 1.460 351 F HN 0.026 nan 8.300 nan 0.000 0.537 352 P HA 0.003 nan 4.420 nan 0.000 0.262 352 P C -0.613 176.767 177.300 0.133 0.000 1.182 352 P CA 0.712 63.853 63.100 0.069 0.000 0.761 352 P CB 0.326 32.051 31.700 0.041 0.000 0.795 353 H N 0.890 119.946 119.070 -0.023 0.000 2.980 353 H HA 0.310 4.866 4.556 -0.000 0.000 0.367 353 H C -0.303 174.985 175.328 -0.067 0.000 1.206 353 H CA -0.946 55.064 56.048 -0.063 0.000 1.126 353 H CB 1.291 30.850 29.762 -0.339 0.000 1.838 353 H HN 0.275 nan 8.280 nan 0.000 0.552 354 D N 0.378 120.877 120.400 0.164 0.000 2.349 354 D HA -0.016 4.624 4.640 -0.000 0.000 0.214 354 D C 0.316 176.858 176.300 0.404 0.000 1.063 354 D CA -0.245 53.881 54.000 0.211 0.000 0.847 354 D CB -0.438 40.519 40.800 0.262 0.000 0.933 354 D HN 0.460 nan 8.370 nan 0.000 0.513 355 Y N -0.024 120.537 120.300 0.437 0.000 2.307 355 Y HA 0.576 5.125 4.550 -0.000 0.000 0.324 355 Y C -0.305 175.912 175.900 0.529 0.000 1.238 355 Y CA -2.013 56.303 58.100 0.358 0.000 1.280 355 Y CB 0.416 38.937 38.460 0.101 0.000 1.248 355 Y HN 0.058 nan 8.280 nan 0.000 0.508 356 W N 2.676 124.230 121.300 0.424 0.000 3.075 356 W HA 0.696 5.356 4.660 -0.000 0.000 0.334 356 W C -2.653 174.119 176.519 0.421 0.000 1.243 356 W CA -1.863 55.697 57.345 0.358 0.000 1.170 356 W CB 0.919 30.500 29.460 0.201 0.000 1.452 356 W HN 0.597 nan 8.180 nan 0.000 0.572 357 F N 2.421 122.580 119.950 0.348 0.000 2.480 357 F HA 0.664 5.190 4.527 -0.000 0.000 0.329 357 F C -0.637 175.353 175.800 0.317 0.000 1.091 357 F CA -1.178 56.937 58.000 0.192 0.000 0.972 357 F CB 1.856 40.995 39.000 0.231 0.000 1.150 357 F HN 0.580 nan 8.300 nan 0.000 0.467 358 E N 4.703 124.562 120.200 -0.568 0.000 2.406 358 E HA 0.194 4.544 4.350 -0.000 0.000 0.297 358 E C -1.257 175.032 176.600 -0.519 0.000 0.917 358 E CA -0.677 55.512 56.400 -0.352 0.000 0.795 358 E CB 1.068 30.836 29.700 0.112 0.000 1.285 358 E HN 0.685 nan 8.360 nan 0.000 0.400 359 K N 2.620 122.730 120.400 -0.484 0.000 3.777 359 K HA -0.285 4.035 4.320 -0.000 0.000 0.276 359 K C 0.589 176.970 176.600 -0.366 0.000 0.877 359 K CA 0.948 57.047 56.287 -0.314 0.000 0.724 359 K CB -1.518 30.911 32.500 -0.118 0.000 1.589 359 K HN 1.036 nan 8.250 nan 0.000 0.444 360 G N -0.083 108.350 108.800 -0.611 0.000 2.184 360 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.264 360 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.264 360 G C -0.204 174.559 174.900 -0.228 0.000 0.975 360 G CA 0.834 45.695 45.100 -0.399 0.000 0.642 360 G HN 0.546 nan 8.290 nan 0.000 0.536 361 E N -0.778 119.197 120.200 -0.375 0.000 2.317 361 E HA 0.686 5.036 4.350 -0.000 0.000 0.270 361 E C -0.394 175.948 176.600 -0.431 0.000 0.885 361 E CA -0.915 55.254 56.400 -0.385 0.000 0.760 361 E CB 2.116 31.463 29.700 -0.589 0.000 1.227 361 E HN 0.162 nan 8.360 nan 0.000 0.434 362 L N 2.150 123.072 121.223 -0.502 0.000 2.334 362 L HA 0.560 4.900 4.340 -0.000 0.000 0.275 362 L C -1.031 175.273 176.870 -0.944 0.000 1.036 362 L CA -0.631 53.917 54.840 -0.486 0.000 0.807 362 L CB 0.694 42.473 42.059 -0.467 0.000 1.231 362 L HN 0.464 nan 8.230 nan 0.000 0.438 363 F N 1.354 120.862 119.950 -0.736 0.000 2.547 363 F HA 0.436 4.962 4.527 -0.000 0.000 0.316 363 F C -0.065 175.268 175.800 -0.778 0.000 1.121 363 F CA -0.698 56.737 58.000 -0.941 0.000 0.911 363 F CB 1.975 39.987 39.000 -1.646 0.000 1.179 363 F HN 0.004 nan 8.300 nan 0.000 0.443 364 V N 2.859 122.572 119.914 -0.335 0.000 2.644 364 V HA 0.784 4.904 4.120 -0.000 0.000 0.295 364 V C 0.366 176.506 176.094 0.076 0.000 1.053 364 V CA -0.119 62.085 62.300 -0.161 0.000 0.987 364 V CB 1.464 33.051 31.823 -0.394 0.000 1.006 364 V HN 0.859 nan 8.190 nan 0.000 0.472 365 G N 3.326 112.307 108.800 0.301 0.000 2.563 365 G HA2 0.342 4.302 3.960 -0.000 0.000 0.283 365 G HA3 0.342 4.302 3.960 -0.000 0.000 0.283 365 G C 0.141 175.281 174.900 0.400 0.000 1.309 365 G CA -0.225 45.140 45.100 0.441 0.000 1.022 365 G HN 0.700 nan 8.290 nan 0.000 0.501 366 E N -0.242 120.160 120.200 0.338 0.000 2.476 366 E HA 0.085 4.435 4.350 -0.000 0.000 0.196 366 E C 0.578 177.304 176.600 0.211 0.000 1.029 366 E CA 0.026 56.603 56.400 0.296 0.000 0.896 366 E CB 0.058 29.892 29.700 0.224 0.000 1.012 366 E HN 0.280 nan 8.360 nan 0.000 0.475 367 T N 3.789 118.477 114.554 0.222 0.000 2.902 367 T HA 0.109 4.459 4.350 -0.000 0.000 0.301 367 T C -2.397 172.374 174.700 0.117 0.000 1.012 367 T CA -0.879 61.313 62.100 0.153 0.000 1.151 367 T CB 0.578 69.546 68.868 0.167 0.000 0.946 367 T HN -0.079 nan 8.240 nan 0.000 0.542 368 P HA 0.340 nan 4.420 nan 0.000 0.265 368 P C 0.702 177.979 177.300 -0.040 0.000 1.193 368 P CA 0.912 64.004 63.100 -0.013 0.000 0.765 368 P CB 0.336 32.017 31.700 -0.031 0.000 0.823 369 G N 3.018 111.765 108.800 -0.089 0.000 2.500 369 G HA2 -0.167 3.792 3.960 -0.000 0.000 0.209 369 G HA3 -0.167 3.792 3.960 -0.000 0.000 0.209 369 G C 0.150 174.964 174.900 -0.142 0.000 1.283 369 G CA 0.086 45.092 45.100 -0.156 0.000 0.960 369 G HN 0.678 nan 8.290 nan 0.000 0.528 370 H N -0.111 118.967 119.070 0.013 0.000 2.539 370 H HA 0.468 5.024 4.556 -0.000 0.000 0.267 370 H C 1.991 177.538 175.328 0.365 0.000 0.982 370 H CA 0.864 56.945 56.048 0.056 0.000 1.146 370 H CB -0.105 29.752 29.762 0.158 0.000 1.382 370 H HN 2.372 nan 8.280 nan 0.000 0.577 371 G N -0.230 108.848 108.800 0.464 0.000 2.179 371 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.260 371 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.260 371 G C -0.088 175.077 174.900 0.442 0.000 0.977 371 G CA 0.360 45.723 45.100 0.439 0.000 0.641 371 G HN 0.457 nan 8.290 nan 0.000 0.533 372 V N 0.158 120.438 119.914 0.611 0.000 2.769 372 V HA 0.856 4.976 4.120 -0.000 0.000 0.312 372 V C -0.091 176.282 176.094 0.465 0.000 1.058 372 V CA -0.629 61.952 62.300 0.468 0.000 0.952 372 V CB 2.025 34.042 31.823 0.322 0.000 1.019 372 V HN 0.283 nan 8.190 nan 0.000 0.445 373 D N 0.881 121.504 120.400 0.372 0.000 2.652 373 D HA 0.559 5.199 4.640 -0.000 0.000 0.285 373 D C -1.524 174.961 176.300 0.308 0.000 1.173 373 D CA -0.454 53.753 54.000 0.345 0.000 0.981 373 D CB 2.732 43.695 40.800 0.272 0.000 1.440 373 D HN 0.542 nan 8.370 nan 0.000 0.485 374 I N 1.019 121.712 120.570 0.206 0.000 2.499 374 I HA 0.236 4.405 4.170 -0.000 0.000 0.288 374 I C -1.258 174.834 176.117 -0.042 0.000 1.048 374 I CA -0.615 60.700 61.300 0.026 0.000 1.062 374 I CB 1.712 39.737 38.000 0.042 0.000 1.238 374 I HN 0.119 nan 8.210 nan 0.000 0.426 375 D N 7.075 127.407 120.400 -0.114 0.000 2.422 375 D HA 0.094 4.734 4.640 -0.000 0.000 0.227 375 D C 0.902 177.151 176.300 -0.084 0.000 1.190 375 D CA 0.173 54.133 54.000 -0.068 0.000 0.905 375 D CB 0.910 41.679 40.800 -0.052 0.000 1.034 375 D HN 0.598 nan 8.370 nan 0.000 0.507 376 E N 2.209 122.370 120.200 -0.064 0.000 2.118 376 E HA -0.219 4.131 4.350 -0.000 0.000 0.195 376 E C 1.374 177.953 176.600 -0.035 0.000 0.992 376 E CA 0.786 57.154 56.400 -0.053 0.000 0.804 376 E CB 0.288 29.957 29.700 -0.052 0.000 0.741 376 E HN 0.635 nan 8.360 nan 0.000 0.458 377 E N 0.671 120.853 120.200 -0.030 0.000 2.077 377 E HA -0.206 4.144 4.350 -0.000 0.000 0.193 377 E C 2.133 178.719 176.600 -0.023 0.000 0.989 377 E CA 0.661 57.046 56.400 -0.025 0.000 0.800 377 E CB 0.051 29.738 29.700 -0.021 0.000 0.746 377 E HN 0.096 nan 8.360 nan 0.000 0.452 378 L N 0.674 121.890 121.223 -0.011 0.000 2.109 378 L HA 0.009 4.349 4.340 -0.000 0.000 0.207 378 L C 2.216 179.136 176.870 0.082 0.000 1.086 378 L CA 1.955 56.810 54.840 0.026 0.000 0.760 378 L CB -0.644 41.447 42.059 0.054 0.000 0.910 378 L HN 0.156 nan 8.230 nan 0.000 0.437 379 A N -0.350 122.494 122.820 0.041 0.000 1.940 379 A HA -0.125 4.195 4.320 -0.000 0.000 0.219 379 A C 2.372 180.019 177.584 0.106 0.000 1.176 379 A CA 1.600 53.685 52.037 0.081 0.000 0.631 379 A CB -1.085 17.889 19.000 -0.043 0.000 0.814 379 A HN 0.538 nan 8.150 nan 0.000 0.446 380 A N -0.506 122.331 122.820 0.027 0.000 2.172 380 A HA -0.061 4.259 4.320 -0.000 0.000 0.216 380 A C 1.878 179.432 177.584 -0.049 0.000 1.154 380 A CA 1.408 53.447 52.037 0.004 0.000 0.701 380 A CB -0.340 18.651 19.000 -0.014 0.000 0.789 380 A HN 0.567 nan 8.150 nan 0.000 0.465 381 K N -1.424 118.889 120.400 -0.144 0.000 2.426 381 K HA 0.055 4.375 4.320 -0.000 0.000 0.193 381 K C -0.921 175.368 176.600 -0.519 0.000 1.028 381 K CA 0.344 56.414 56.287 -0.361 0.000 1.047 381 K CB 0.112 32.298 32.500 -0.523 0.000 0.821 381 K HN 0.585 nan 8.250 nan 0.000 0.513 382 Y N 1.890 122.200 120.300 0.017 0.000 2.686 382 Y HA 0.226 4.776 4.550 -0.000 0.000 0.331 382 Y C -2.347 173.578 175.900 0.043 0.000 0.996 382 Y CA -3.326 54.790 58.100 0.027 0.000 1.293 382 Y CB 0.625 39.106 38.460 0.037 0.000 1.092 382 Y HN -0.040 nan 8.280 nan 0.000 0.524 383 P HA -0.072 nan 4.420 nan 0.000 0.271 383 P C -0.363 177.021 177.300 0.141 0.000 1.216 383 P CA -0.107 63.067 63.100 0.124 0.000 0.776 383 P CB 1.063 32.808 31.700 0.076 0.000 0.881 384 Y N 3.131 123.457 120.300 0.043 0.000 2.805 384 Y HA 0.025 4.575 4.550 -0.000 0.000 0.337 384 Y C 0.508 176.409 175.900 0.003 0.000 1.252 384 Y CA 0.701 58.813 58.100 0.020 0.000 1.515 384 Y CB 0.442 38.909 38.460 0.012 0.000 1.305 384 Y HN 0.352 nan 8.280 nan 0.000 0.600 385 K N 8.085 128.004 120.400 -0.803 0.000 2.601 385 K HA 0.416 4.736 4.320 -0.000 0.000 0.249 385 K C -3.054 173.058 176.600 -0.814 0.000 0.966 385 K CA -2.132 53.803 56.287 -0.587 0.000 0.827 385 K CB 1.626 33.962 32.500 -0.274 0.000 1.178 385 K HN 0.353 nan 8.250 nan 0.000 0.437 386 P HA -0.001 nan 4.420 nan 0.000 0.262 386 P C -1.536 175.566 177.300 -0.330 0.000 1.182 386 P CA 0.175 63.022 63.100 -0.423 0.000 0.761 386 P CB 0.855 32.474 31.700 -0.136 0.000 0.795 387 A N 3.624 126.208 122.820 -0.394 0.000 2.437 387 A HA 0.609 4.929 4.320 -0.000 0.000 0.293 387 A C -1.670 175.737 177.584 -0.295 0.000 1.038 387 A CA -0.449 51.441 52.037 -0.244 0.000 0.708 387 A CB 0.807 19.678 19.000 -0.216 0.000 1.251 387 A HN 0.380 nan 8.150 nan 0.000 0.409 388 Y N 1.175 121.413 120.300 -0.103 0.000 2.487 388 Y HA 0.617 5.167 4.550 -0.000 0.000 0.337 388 Y C 0.442 176.239 175.900 -0.172 0.000 1.076 388 Y CA -0.685 57.350 58.100 -0.108 0.000 1.115 388 Y CB 1.612 40.015 38.460 -0.095 0.000 1.235 388 Y HN 0.606 nan 8.280 nan 0.000 0.468 389 L N 3.942 125.151 121.223 -0.022 0.000 2.418 389 L HA 0.338 4.678 4.340 -0.000 0.000 0.265 389 L C -2.184 174.439 176.870 -0.411 0.000 1.143 389 L CA -1.769 52.902 54.840 -0.283 0.000 0.809 389 L CB 0.669 42.585 42.059 -0.238 0.000 1.124 389 L HN 0.368 nan 8.230 nan 0.000 0.456 390 P HA 0.161 nan 4.420 nan 0.000 0.274 390 P C -1.220 175.722 177.300 -0.596 0.000 1.256 390 P CA -0.353 62.340 63.100 -0.679 0.000 0.795 390 P CB 0.857 32.090 31.700 -0.778 0.000 1.038 391 V N -3.054 116.714 119.914 -0.242 0.000 2.864 391 V HA 0.936 5.056 4.120 -0.000 0.000 0.314 391 V C -0.711 175.469 176.094 0.142 0.000 1.073 391 V CA -1.386 60.909 62.300 -0.008 0.000 0.956 391 V CB 1.448 33.277 31.823 0.010 0.000 1.023 391 V HN 0.629 nan 8.190 nan 0.000 0.435 392 A N 3.345 126.340 122.820 0.291 0.000 2.350 392 A HA 0.945 5.265 4.320 -0.000 0.000 0.324 392 A C -0.241 177.532 177.584 0.315 0.000 1.118 392 A CA -0.944 51.306 52.037 0.354 0.000 0.783 392 A CB 1.471 20.745 19.000 0.457 0.000 1.236 392 A HN 0.931 nan 8.150 nan 0.000 0.457 393 R N 1.405 122.066 120.500 0.268 0.000 2.686 393 R HA 0.539 4.879 4.340 -0.000 0.000 0.283 393 R C -0.806 175.592 176.300 0.162 0.000 0.978 393 R CA -0.730 55.498 56.100 0.213 0.000 0.897 393 R CB 1.826 32.208 30.300 0.136 0.000 1.192 393 R HN 0.716 nan 8.270 nan 0.000 0.457 394 L N 1.789 123.059 121.223 0.077 0.000 2.475 394 L HA 0.085 4.425 4.340 -0.000 0.000 0.250 394 L C 1.644 178.499 176.870 -0.025 0.000 1.224 394 L CA 0.048 54.859 54.840 -0.049 0.000 0.821 394 L CB 0.388 42.320 42.059 -0.212 0.000 1.141 394 L HN 0.674 nan 8.230 nan 0.000 0.494 395 E N 0.580 120.740 120.200 -0.067 0.000 2.209 395 E HA -0.227 4.123 4.350 -0.000 0.000 0.196 395 E C 0.892 177.472 176.600 -0.033 0.000 0.993 395 E CA 1.407 57.778 56.400 -0.049 0.000 0.819 395 E CB -0.111 29.543 29.700 -0.076 0.000 0.745 395 E HN 0.696 nan 8.360 nan 0.000 0.477 396 D N -0.880 119.497 120.400 -0.038 0.000 2.340 396 D HA 0.023 4.663 4.640 -0.000 0.000 0.220 396 D C 1.288 177.588 176.300 0.000 0.000 1.039 396 D CA 0.753 54.741 54.000 -0.021 0.000 0.866 396 D CB 0.441 41.225 40.800 -0.027 0.000 0.913 396 D HN 0.218 nan 8.370 nan 0.000 0.523 397 G N -0.496 108.311 108.800 0.012 0.000 2.195 397 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.224 397 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.224 397 G C 0.376 175.312 174.900 0.059 0.000 0.990 397 G CA 0.070 45.190 45.100 0.034 0.000 0.639 397 G HN 0.406 nan 8.290 nan 0.000 0.514 398 T N 3.726 118.315 114.554 0.058 0.000 2.871 398 T HA 0.396 4.745 4.350 -0.000 0.000 0.296 398 T C 0.981 175.798 174.700 0.195 0.000 0.998 398 T CA 0.187 62.354 62.100 0.111 0.000 1.162 398 T CB 0.611 69.535 68.868 0.093 0.000 0.947 398 T HN 0.190 nan 8.240 nan 0.000 0.536 399 M N 3.695 123.416 119.600 0.202 0.000 2.252 399 M HA 0.117 4.597 4.480 -0.000 0.000 0.348 399 M C 0.047 176.584 176.300 0.395 0.000 1.334 399 M CA 0.405 55.841 55.300 0.228 0.000 1.071 399 M CB 0.010 32.697 32.600 0.145 0.000 1.763 399 M HN 0.725 nan 8.290 nan 0.000 0.452 400 W N 3.316 124.664 121.300 0.080 0.000 3.459 400 W HA 0.340 5.000 4.660 -0.000 0.000 0.340 400 W C -0.610 175.946 176.519 0.061 0.000 1.275 400 W CA -0.650 56.738 57.345 0.071 0.000 0.985 400 W CB 1.534 31.050 29.460 0.094 0.000 1.745 400 W HN 0.407 nan 8.180 nan 0.000 0.627 401 N N 2.064 120.566 118.700 -0.329 0.000 2.457 401 N HA 0.083 4.823 4.740 -0.000 0.000 0.250 401 N C -0.604 174.915 175.510 0.016 0.000 0.982 401 N CA -0.262 52.645 53.050 -0.238 0.000 0.941 401 N CB 1.023 39.226 38.487 -0.474 0.000 1.120 401 N HN 0.331 nan 8.380 nan 0.000 0.505 402 W N 0.000 121.308 121.300 0.013 0.000 2.388 402 W HA 0.000 4.660 4.660 -0.000 0.000 0.303 402 W CA 0.000 57.410 57.345 0.109 0.000 1.226 402 W CB 0.000 29.532 29.460 0.120 0.000 1.126 402 W HN 0.000 nan 8.180 nan 0.000 0.535