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 2h3d_1_B DATA FIRST_RESID 9 DATA SEQUENCE FNILLATDSY KVTHYKQYPP NTSKVYSYFE CREXXXXXXX XXXXKYEETV DATA SEQUENCE FYGLQYILNK YLKGKVVTKE KIQEAKEVYR EHFQDDVFNE RGWNYILEKY DATA SEQUENCE DGHLPIEVKA VPEGSVIPRG NVLFTVENTD PECYWLTNWI ETILVQSWYP DATA SEQUENCE ITVATNSREQ KKILAKYLLE TSGNLDGLEY KLHDFGYRGV SSQETAGIGA DATA SEQUENCE SAHLVNFKGT DTVAGIALIK KYYGTKDPVP GYSVPAAEHS TITAWGKDHE DATA SEQUENCE KDAFEHIVTQ FSSVPVSVVS DSYDIYNACE KIWGEDLRHL IVSRSTEAPL DATA SEQUENCE IIRPDSGNPL DTVLKVLDIL GKKFPVTENS KGYKLLPPYL RVIQGDGVDI DATA SEQUENCE NTLQEIVEGX KQKKWSIENV SFGSGGALLQ KLTRDLLNCS FKCSYVVTNG DATA SEQUENCE LGVNVFKDPV ADPNKRSKKG RLSLHRTPAG NFVTLEEGKG DLEEYGHDLL DATA SEQUENCE HTVFKNGKVT KSYSFDEVRK NAQLN 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 9 F HA 0.000 nan 4.527 nan 0.000 0.279 9 F C 0.000 175.802 175.800 0.004 0.000 0.967 9 F CA 0.000 58.019 58.000 0.031 0.000 1.383 9 F CB 0.000 39.071 39.000 0.117 0.000 1.145 10 N N 6.099 124.277 118.700 -0.871 0.000 2.531 10 N HA 0.244 4.889 4.740 -0.158 0.000 0.268 10 N C 0.393 175.368 175.510 -0.893 0.000 1.023 10 N CA -0.439 52.214 53.050 -0.663 0.000 0.896 10 N CB 1.377 39.619 38.487 -0.408 0.000 1.233 10 N HN 0.813 nan 8.380 nan 0.000 0.512 11 I N 3.788 123.986 120.570 -0.620 0.000 2.530 11 I HA -0.137 3.937 4.170 -0.158 0.000 0.257 11 I C 1.241 177.310 176.117 -0.080 0.000 1.179 11 I CA 1.142 62.285 61.300 -0.262 0.000 1.440 11 I CB 0.123 38.160 38.000 0.061 0.000 1.087 11 I HN 0.583 nan 8.210 nan 0.000 0.440 12 L N -0.449 120.598 121.223 -0.293 0.000 2.465 12 L HA -0.017 4.228 4.340 -0.158 0.000 0.224 12 L C 1.668 178.675 176.870 0.228 0.000 1.145 12 L CA 1.261 56.005 54.840 -0.160 0.000 0.834 12 L CB -0.483 41.255 42.059 -0.536 0.000 0.944 12 L HN 0.220 nan 8.230 nan 0.000 0.451 13 L N -1.273 119.917 121.223 -0.055 0.000 2.959 13 L HA 0.346 4.590 4.340 -0.158 0.000 0.259 13 L C 0.922 177.741 176.870 -0.084 0.000 1.185 13 L CA -0.136 54.649 54.840 -0.092 0.000 0.998 13 L CB 0.157 42.034 42.059 -0.303 0.000 1.337 13 L HN 0.076 nan 8.230 nan 0.000 0.555 14 A N -0.051 122.748 122.820 -0.035 0.000 3.213 14 A HA 0.551 4.776 4.320 -0.158 0.000 0.308 14 A C 0.097 177.701 177.584 0.032 0.000 1.177 14 A CA -0.031 52.000 52.037 -0.010 0.000 1.010 14 A CB 0.125 19.135 19.000 0.017 0.000 1.092 14 A HN 0.120 nan 8.150 nan 0.000 0.583 15 T N -0.799 113.729 114.554 -0.044 0.000 2.843 15 T HA 0.319 4.574 4.350 -0.158 0.000 0.302 15 T C -1.512 173.124 174.700 -0.107 0.000 1.232 15 T CA -0.617 61.377 62.100 -0.176 0.000 1.009 15 T CB 1.121 69.595 68.868 -0.656 0.000 1.254 15 T HN 0.322 nan 8.240 nan 0.000 0.504 16 D N 2.101 122.475 120.400 -0.042 0.000 2.455 16 D HA 0.126 4.671 4.640 -0.158 0.000 0.241 16 D C 1.185 177.552 176.300 0.110 0.000 1.138 16 D CA 0.262 54.321 54.000 0.098 0.000 0.877 16 D CB 1.435 42.424 40.800 0.315 0.000 1.187 16 D HN 0.505 nan 8.370 nan 0.000 0.451 17 S N 1.854 117.648 115.700 0.157 0.000 2.381 17 S HA -0.275 4.100 4.470 -0.158 0.000 0.230 17 S C 1.885 176.695 174.600 0.351 0.000 1.052 17 S CA 1.551 59.897 58.200 0.244 0.000 1.068 17 S CB -0.560 62.800 63.200 0.266 0.000 0.918 17 S HN 0.720 nan 8.310 nan 0.000 0.448 18 Y N 1.092 121.420 120.300 0.048 0.000 2.256 18 Y HA -0.019 4.434 4.550 -0.163 0.000 0.288 18 Y C 1.925 177.523 175.900 -0.503 0.000 1.155 18 Y CA 0.933 59.003 58.100 -0.051 0.000 1.203 18 Y CB -0.455 38.026 38.460 0.035 0.000 0.980 18 Y HN 0.084 nan 8.280 nan 0.000 0.530 19 K N 0.798 120.752 120.400 -0.744 0.000 2.360 19 K HA -0.091 4.134 4.320 -0.158 0.000 0.201 19 K C 1.798 178.043 176.600 -0.592 0.000 1.046 19 K CA 1.179 56.785 56.287 -1.134 0.000 0.940 19 K CB -0.122 31.995 32.500 -0.638 0.000 0.748 19 K HN 0.276 nan 8.250 nan 0.000 0.465 20 V N 1.145 120.812 119.914 -0.412 0.000 2.759 20 V HA -0.182 3.843 4.120 -0.158 0.000 0.256 20 V C 2.154 178.257 176.094 0.014 0.000 1.080 20 V CA 2.149 64.361 62.300 -0.147 0.000 1.101 20 V CB -0.560 31.108 31.823 -0.259 0.000 0.698 20 V HN 0.524 nan 8.190 nan 0.000 0.477 21 T N -4.285 110.175 114.554 -0.157 0.000 3.086 21 T HA 0.056 4.311 4.350 -0.158 0.000 0.250 21 T C 1.346 176.033 174.700 -0.022 0.000 1.074 21 T CA 0.236 62.268 62.100 -0.114 0.000 0.988 21 T CB -0.454 68.294 68.868 -0.200 0.000 0.988 21 T HN 0.602 nan 8.240 nan 0.000 0.530 22 H N 0.326 119.410 119.070 0.023 0.000 2.428 22 H HA 0.009 4.473 4.556 -0.153 0.000 0.296 22 H C 1.962 177.378 175.328 0.148 0.000 1.062 22 H CA 1.400 57.448 56.048 -0.000 0.000 1.350 22 H CB -0.248 29.538 29.762 0.040 0.000 1.403 22 H HN 0.689 nan 8.280 nan 0.000 0.533 23 Y N 1.461 121.939 120.300 0.296 0.000 2.365 23 Y HA -0.131 4.322 4.550 -0.160 0.000 0.287 23 Y C 1.252 177.334 175.900 0.303 0.000 1.162 23 Y CA 0.692 58.976 58.100 0.306 0.000 1.260 23 Y CB -0.255 38.095 38.460 -0.184 0.000 0.976 23 Y HN -0.043 nan 8.280 nan 0.000 0.548 24 K N 0.290 120.375 120.400 -0.526 0.000 2.372 24 K HA 0.124 4.349 4.320 -0.158 0.000 0.200 24 K C 0.895 177.391 176.600 -0.173 0.000 1.022 24 K CA 0.205 56.243 56.287 -0.415 0.000 1.125 24 K CB 0.261 32.371 32.500 -0.649 0.000 0.855 24 K HN 0.540 nan 8.250 nan 0.000 0.524 25 Q N -0.579 119.157 119.800 -0.106 0.000 2.316 25 Q HA 0.117 4.362 4.340 -0.158 0.000 0.235 25 Q C -0.263 175.643 176.000 -0.156 0.000 0.863 25 Q CA -0.078 55.630 55.803 -0.159 0.000 0.939 25 Q CB 0.390 28.984 28.738 -0.240 0.000 1.108 25 Q HN 0.169 nan 8.270 nan 0.000 0.522 26 Y N 1.994 122.316 120.300 0.036 0.000 2.426 26 Y HA 0.092 4.546 4.550 -0.160 0.000 0.344 26 Y C -1.805 174.062 175.900 -0.055 0.000 1.256 26 Y CA -1.989 56.122 58.100 0.018 0.000 1.451 26 Y CB -0.186 38.342 38.460 0.113 0.000 1.342 26 Y HN 0.005 nan 8.280 nan 0.000 0.600 27 P HA 0.084 nan 4.420 nan 0.000 0.268 27 P C -2.557 174.712 177.300 -0.053 0.000 1.205 27 P CA -0.902 62.198 63.100 0.001 0.000 0.771 27 P CB 0.125 31.819 31.700 -0.010 0.000 0.858 28 P HA 0.015 nan 4.420 nan 0.000 0.269 28 P C -0.056 177.179 177.300 -0.109 0.000 1.215 28 P CA 0.397 63.448 63.100 -0.081 0.000 0.780 28 P CB 0.167 31.837 31.700 -0.050 0.000 0.898 29 N N -1.646 116.973 118.700 -0.135 0.000 2.776 29 N HA -0.119 4.526 4.740 -0.158 0.000 0.249 29 N C -0.771 174.639 175.510 -0.167 0.000 1.111 29 N CA 0.975 53.949 53.050 -0.126 0.000 0.711 29 N CB -2.073 36.367 38.487 -0.079 0.000 1.065 29 N HN 0.371 nan 8.380 nan 0.000 0.556 30 T N 0.332 114.716 114.554 -0.284 0.000 2.743 30 T HA 0.340 4.595 4.350 -0.158 0.000 0.293 30 T C 1.379 175.893 174.700 -0.309 0.000 0.945 30 T CA 0.028 61.946 62.100 -0.303 0.000 1.030 30 T CB 1.238 69.880 68.868 -0.376 0.000 0.912 30 T HN 0.298 nan 8.240 nan 0.000 0.483 31 S N 2.545 118.157 115.700 -0.147 0.000 2.511 31 S HA 0.277 4.652 4.470 -0.158 0.000 0.214 31 S C 0.429 175.034 174.600 0.007 0.000 0.997 31 S CA -0.349 57.823 58.200 -0.047 0.000 0.908 31 S CB 0.274 63.458 63.200 -0.026 0.000 0.803 31 S HN 0.608 nan 8.310 nan 0.000 0.504 32 K N 0.513 120.898 120.400 -0.026 0.000 2.542 32 K HA 0.588 4.813 4.320 -0.158 0.000 0.259 32 K C -2.260 174.341 176.600 0.001 0.000 0.932 32 K CA -0.628 55.671 56.287 0.019 0.000 0.820 32 K CB 2.408 34.939 32.500 0.053 0.000 1.345 32 K HN 0.022 nan 8.250 nan 0.000 0.432 33 V N 4.348 124.295 119.914 0.056 0.000 2.482 33 V HA 0.338 4.363 4.120 -0.158 0.000 0.295 33 V C -1.515 174.708 176.094 0.216 0.000 1.026 33 V CA -0.783 61.564 62.300 0.078 0.000 0.856 33 V CB 1.324 33.126 31.823 -0.035 0.000 1.001 33 V HN 0.748 nan 8.190 nan 0.000 0.424 34 Y N 3.866 124.249 120.300 0.138 0.000 2.328 34 Y HA 0.721 5.176 4.550 -0.158 0.000 0.336 34 Y C 0.112 176.093 175.900 0.135 0.000 0.960 34 Y CA 0.004 58.209 58.100 0.174 0.000 1.134 34 Y CB 1.731 40.357 38.460 0.277 0.000 1.166 34 Y HN 0.633 nan 8.280 nan 0.000 0.464 35 S N 5.351 120.966 115.700 -0.142 0.000 2.638 35 S HA 0.607 4.982 4.470 -0.158 0.000 0.302 35 S C -1.665 172.633 174.600 -0.502 0.000 1.096 35 S CA -0.677 57.329 58.200 -0.322 0.000 0.953 35 S CB 1.553 64.433 63.200 -0.533 0.000 1.107 35 S HN 0.687 nan 8.310 nan 0.000 0.503 36 Y N -0.413 119.479 120.300 -0.679 0.000 2.615 36 Y HA 0.823 5.279 4.550 -0.157 0.000 0.341 36 Y C -1.664 173.921 175.900 -0.526 0.000 1.089 36 Y CA -1.605 56.184 58.100 -0.517 0.000 1.049 36 Y CB 0.907 39.196 38.460 -0.285 0.000 1.296 36 Y HN 0.573 nan 8.280 nan 0.000 0.470 37 F N 2.671 122.211 119.950 -0.684 0.000 2.495 37 F HA 0.648 5.079 4.527 -0.159 0.000 0.327 37 F C -0.850 174.795 175.800 -0.259 0.000 1.103 37 F CA -0.351 57.263 58.000 -0.643 0.000 0.949 37 F CB 1.495 39.768 39.000 -1.212 0.000 1.142 37 F HN 0.809 nan 8.300 nan 0.000 0.457 38 E N 3.510 123.263 120.200 -0.745 0.000 2.413 38 E HA 0.442 4.697 4.350 -0.158 0.000 0.277 38 E C -1.895 174.415 176.600 -0.484 0.000 0.958 38 E CA -1.114 55.086 56.400 -0.335 0.000 0.779 38 E CB 1.477 31.189 29.700 0.019 0.000 1.278 38 E HN 0.531 nan 8.360 nan 0.000 0.456 39 C N 2.404 121.600 119.300 -0.174 0.000 2.136 39 C HA 0.399 4.763 4.460 -0.158 0.000 0.381 39 C C 0.541 175.496 174.990 -0.058 0.000 1.039 39 C CA -0.452 58.508 59.018 -0.097 0.000 1.491 39 C CB -1.647 26.115 27.740 0.038 0.000 1.663 39 C HN 0.648 nan 8.230 nan 0.000 0.470 40 R N 1.908 122.356 120.500 -0.086 0.000 2.587 40 R HA -0.026 4.218 4.340 -0.158 0.000 0.268 40 R C 0.719 177.013 176.300 -0.009 0.000 0.978 40 R CA 0.793 56.869 56.100 -0.039 0.000 1.097 40 R CB 0.497 30.768 30.300 -0.047 0.000 0.917 40 R HN 0.694 nan 8.270 nan 0.000 0.414 54 Y N 0.411 120.728 120.300 0.027 0.000 3.178 54 Y HA -0.205 4.250 4.550 -0.157 0.000 0.200 54 Y C 0.339 176.255 175.900 0.026 0.000 1.427 54 Y CA 1.032 59.151 58.100 0.031 0.000 1.250 54 Y CB -2.287 36.197 38.460 0.041 0.000 1.421 54 Y HN 0.855 nan 8.280 nan 0.000 0.506 55 E N 0.641 120.911 120.200 0.118 0.000 2.358 55 E HA -0.062 4.193 4.350 -0.158 0.000 0.195 55 E C 0.704 177.345 176.600 0.067 0.000 1.010 55 E CA 1.060 57.508 56.400 0.079 0.000 0.856 55 E CB 0.278 30.005 29.700 0.046 0.000 0.795 55 E HN 0.766 nan 8.360 nan 0.000 0.504 56 E N 0.790 121.037 120.200 0.079 0.000 2.292 56 E HA 0.329 4.584 4.350 -0.158 0.000 0.272 56 E C -0.641 176.004 176.600 0.076 0.000 0.881 56 E CA -0.819 55.607 56.400 0.044 0.000 0.754 56 E CB 1.714 31.426 29.700 0.020 0.000 1.201 56 E HN -0.116 nan 8.360 nan 0.000 0.425 57 T N -1.058 113.531 114.554 0.059 0.000 2.940 57 T HA 0.504 4.759 4.350 -0.158 0.000 0.288 57 T C -0.228 174.525 174.700 0.087 0.000 1.033 57 T CA -0.808 61.348 62.100 0.093 0.000 1.033 57 T CB 1.459 70.404 68.868 0.129 0.000 1.079 57 T HN 0.279 nan 8.240 nan 0.000 0.496 58 V N 3.103 123.072 119.914 0.092 0.000 2.348 58 V HA 0.339 4.364 4.120 -0.158 0.000 0.270 58 V C -0.367 175.818 176.094 0.152 0.000 1.037 58 V CA -0.809 61.539 62.300 0.080 0.000 0.872 58 V CB 0.127 31.956 31.823 0.010 0.000 1.002 58 V HN 0.865 nan 8.190 nan 0.000 0.464 59 F N 7.810 127.792 119.950 0.053 0.000 2.439 59 F HA 0.491 4.923 4.527 -0.159 0.000 0.356 59 F C -0.591 175.276 175.800 0.111 0.000 1.161 59 F CA -0.426 57.628 58.000 0.090 0.000 1.151 59 F CB -0.070 38.978 39.000 0.081 0.000 1.222 59 F HN 0.531 nan 8.300 nan 0.000 0.558 60 Y N 4.372 124.344 120.300 -0.546 0.000 2.513 60 Y HA 0.566 5.022 4.550 -0.158 0.000 0.340 60 Y C 0.147 175.784 175.900 -0.438 0.000 1.055 60 Y CA -0.625 57.203 58.100 -0.453 0.000 1.020 60 Y CB 2.009 40.299 38.460 -0.284 0.000 1.301 60 Y HN 0.652 nan 8.280 nan 0.000 0.453 61 G N 3.362 111.416 108.800 -1.243 0.000 2.352 61 G HA2 -0.273 3.592 3.960 -0.158 0.000 0.204 61 G HA3 -0.273 3.592 3.960 -0.158 0.000 0.204 61 G C 0.559 175.202 174.900 -0.428 0.000 1.004 61 G CA 0.163 44.729 45.100 -0.890 0.000 0.648 61 G HN 0.968 nan 8.290 nan 0.000 0.491 62 L N 1.558 122.492 121.223 -0.483 0.000 2.043 62 L HA 0.039 4.284 4.340 -0.158 0.000 0.212 62 L C 2.641 179.395 176.870 -0.195 0.000 1.075 62 L CA 3.380 58.017 54.840 -0.338 0.000 0.752 62 L CB -0.608 41.262 42.059 -0.314 0.000 0.891 62 L HN 0.564 nan 8.230 nan 0.000 0.432 63 Q N -1.978 117.762 119.800 -0.100 0.000 2.135 63 Q HA -0.303 3.942 4.340 -0.158 0.000 0.204 63 Q C 2.240 178.120 176.000 -0.199 0.000 0.981 63 Q CA 2.154 57.895 55.803 -0.104 0.000 0.856 63 Q CB -0.460 28.209 28.738 -0.115 0.000 0.902 63 Q HN 0.703 nan 8.270 nan 0.000 0.425 64 Y N 0.641 120.743 120.300 -0.329 0.000 2.114 64 Y HA -0.213 4.242 4.550 -0.159 0.000 0.284 64 Y C 1.728 177.326 175.900 -0.502 0.000 1.143 64 Y CA 1.923 59.724 58.100 -0.499 0.000 1.135 64 Y CB -0.294 37.917 38.460 -0.415 0.000 0.980 64 Y HN 0.115 nan 8.280 nan 0.000 0.499 65 I N -0.081 120.238 120.570 -0.418 0.000 2.226 65 I HA -0.329 3.746 4.170 -0.158 0.000 0.245 65 I C 2.372 178.300 176.117 -0.315 0.000 1.100 65 I CA 1.328 62.400 61.300 -0.379 0.000 1.374 65 I CB -0.511 37.403 38.000 -0.142 0.000 1.057 65 I HN 0.276 nan 8.210 nan 0.000 0.413 66 L N 0.402 121.472 121.223 -0.254 0.000 2.017 66 L HA -0.235 4.010 4.340 -0.158 0.000 0.208 66 L C 2.158 178.970 176.870 -0.097 0.000 1.073 66 L CA 1.844 56.579 54.840 -0.176 0.000 0.745 66 L CB -0.813 41.203 42.059 -0.072 0.000 0.894 66 L HN 0.297 nan 8.230 nan 0.000 0.432 67 N N -0.232 118.383 118.700 -0.141 0.000 2.135 67 N HA -0.172 4.473 4.740 -0.158 0.000 0.186 67 N C 1.797 177.219 175.510 -0.147 0.000 1.027 67 N CA 0.972 53.984 53.050 -0.063 0.000 0.849 67 N CB -0.043 38.481 38.487 0.062 0.000 1.002 67 N HN 0.203 nan 8.380 nan 0.000 0.425 68 K N -0.812 119.312 120.400 -0.459 0.000 2.103 68 K HA -0.070 4.155 4.320 -0.158 0.000 0.204 68 K C 0.663 176.826 176.600 -0.729 0.000 1.052 68 K CA 1.212 57.071 56.287 -0.714 0.000 0.945 68 K CB 0.114 31.722 32.500 -1.487 0.000 0.722 68 K HN 0.245 nan 8.250 nan 0.000 0.443 69 Y N -1.007 119.086 120.300 -0.345 0.000 2.526 69 Y HA 0.204 4.661 4.550 -0.155 0.000 0.265 69 Y C 1.470 177.351 175.900 -0.033 0.000 1.092 69 Y CA -0.082 57.869 58.100 -0.249 0.000 1.277 69 Y CB 0.516 38.765 38.460 -0.352 0.000 1.228 69 Y HN -0.113 nan 8.280 nan 0.000 0.507 70 L N 0.387 121.649 121.223 0.065 0.000 2.515 70 L HA 0.139 4.384 4.340 -0.158 0.000 0.223 70 L C 0.696 177.688 176.870 0.203 0.000 1.079 70 L CA 0.039 54.908 54.840 0.048 0.000 0.857 70 L CB 0.052 41.960 42.059 -0.252 0.000 1.050 70 L HN -0.005 nan 8.230 nan 0.000 0.476 71 K N 0.728 121.273 120.400 0.243 0.000 2.126 71 K HA 0.545 4.770 4.320 -0.158 0.000 0.257 71 K C 0.553 177.175 176.600 0.037 0.000 1.007 71 K CA 0.221 56.673 56.287 0.275 0.000 0.928 71 K CB 1.002 33.624 32.500 0.204 0.000 1.013 71 K HN 0.024 nan 8.250 nan 0.000 0.473 72 G N 1.137 109.865 108.800 -0.120 0.000 2.642 72 G HA2 -0.332 3.533 3.960 -0.158 0.000 0.231 72 G HA3 -0.332 3.533 3.960 -0.158 0.000 0.231 72 G C -1.024 173.430 174.900 -0.742 0.000 1.338 72 G CA 0.151 45.005 45.100 -0.410 0.000 0.883 72 G HN 0.950 nan 8.290 nan 0.000 0.570 73 K N 0.182 120.281 120.400 -0.502 0.000 2.278 73 K HA 0.436 4.661 4.320 -0.158 0.000 0.289 73 K C 1.440 178.003 176.600 -0.061 0.000 1.080 73 K CA 0.206 56.357 56.287 -0.226 0.000 0.934 73 K CB 0.340 32.844 32.500 0.007 0.000 1.093 73 K HN 1.302 nan 8.250 nan 0.000 0.459 74 V N 1.411 121.320 119.914 -0.010 0.000 3.621 74 V HA 0.183 4.208 4.120 -0.158 0.000 0.285 74 V C 0.161 176.287 176.094 0.053 0.000 1.346 74 V CA -0.300 62.036 62.300 0.060 0.000 1.104 74 V CB 0.417 32.311 31.823 0.118 0.000 0.913 74 V HN 0.292 nan 8.190 nan 0.000 0.432 75 V N 2.084 122.048 119.914 0.083 0.000 2.555 75 V HA 0.777 4.802 4.120 -0.158 0.000 0.302 75 V C 0.118 176.254 176.094 0.070 0.000 1.038 75 V CA 0.476 62.826 62.300 0.084 0.000 0.887 75 V CB 1.494 33.452 31.823 0.225 0.000 0.991 75 V HN 0.666 nan 8.190 nan 0.000 0.434 76 T N 0.512 115.087 114.554 0.035 0.000 2.883 76 T HA 0.452 4.707 4.350 -0.158 0.000 0.301 76 T C 0.526 175.246 174.700 0.033 0.000 1.158 76 T CA -0.916 61.205 62.100 0.035 0.000 1.007 76 T CB 2.142 71.019 68.868 0.015 0.000 1.186 76 T HN 0.336 nan 8.240 nan 0.000 0.499 77 K N 0.982 121.405 120.400 0.037 0.000 2.074 77 K HA -0.140 4.085 4.320 -0.158 0.000 0.209 77 K C 1.796 178.408 176.600 0.020 0.000 1.048 77 K CA 1.817 58.128 56.287 0.039 0.000 0.926 77 K CB -0.367 32.153 32.500 0.034 0.000 0.713 77 K HN 0.716 nan 8.250 nan 0.000 0.444 78 E N 0.955 121.156 120.200 0.002 0.000 2.031 78 E HA -0.112 4.143 4.350 -0.158 0.000 0.193 78 E C 1.998 178.569 176.600 -0.049 0.000 0.994 78 E CA 1.295 57.683 56.400 -0.020 0.000 0.800 78 E CB -0.159 29.528 29.700 -0.022 0.000 0.752 78 E HN 0.254 nan 8.360 nan 0.000 0.447 79 K N 0.257 120.620 120.400 -0.062 0.000 2.103 79 K HA -0.124 4.101 4.320 -0.158 0.000 0.207 79 K C 2.152 178.671 176.600 -0.136 0.000 1.048 79 K CA 1.239 57.454 56.287 -0.120 0.000 0.930 79 K CB -0.258 32.162 32.500 -0.134 0.000 0.716 79 K HN 0.132 nan 8.250 nan 0.000 0.444 80 I N 0.638 121.178 120.570 -0.051 0.000 2.252 80 I HA -0.279 3.796 4.170 -0.158 0.000 0.245 80 I C 2.652 178.787 176.117 0.029 0.000 1.102 80 I CA 1.063 62.392 61.300 0.047 0.000 1.385 80 I CB -0.149 37.945 38.000 0.158 0.000 1.064 80 I HN 0.175 nan 8.210 nan 0.000 0.414 81 Q N 1.298 121.101 119.800 0.005 0.000 2.079 81 Q HA -0.259 3.986 4.340 -0.158 0.000 0.200 81 Q C 1.986 177.931 176.000 -0.092 0.000 0.974 81 Q CA 1.903 57.700 55.803 -0.009 0.000 0.840 81 Q CB -0.229 28.508 28.738 -0.001 0.000 0.898 81 Q HN 0.500 nan 8.270 nan 0.000 0.430 82 E N -0.883 119.237 120.200 -0.134 0.000 2.051 82 E HA -0.213 4.041 4.350 -0.158 0.000 0.192 82 E C 1.712 178.125 176.600 -0.311 0.000 0.991 82 E CA 1.198 57.484 56.400 -0.190 0.000 0.799 82 E CB -0.265 29.325 29.700 -0.184 0.000 0.748 82 E HN 0.432 nan 8.360 nan 0.000 0.449 83 A N 1.529 124.096 122.820 -0.421 0.000 1.898 83 A HA -0.190 4.035 4.320 -0.158 0.000 0.216 83 A C 2.137 179.274 177.584 -0.745 0.000 1.181 83 A CA 1.637 53.252 52.037 -0.703 0.000 0.620 83 A CB -0.531 18.015 19.000 -0.757 0.000 0.819 83 A HN 0.256 nan 8.150 nan 0.000 0.442 84 K N -0.017 120.021 120.400 -0.604 0.000 2.020 84 K HA -0.249 3.975 4.320 -0.158 0.000 0.212 84 K C 1.889 178.440 176.600 -0.081 0.000 1.050 84 K CA 2.049 58.201 56.287 -0.226 0.000 0.929 84 K CB -0.232 32.320 32.500 0.087 0.000 0.714 84 K HN 0.637 nan 8.250 nan 0.000 0.443 85 E N -0.081 120.052 120.200 -0.111 0.000 2.072 85 E HA -0.145 4.110 4.350 -0.158 0.000 0.191 85 E C 2.049 178.590 176.600 -0.099 0.000 0.985 85 E CA 1.257 57.616 56.400 -0.068 0.000 0.801 85 E CB 0.064 29.720 29.700 -0.073 0.000 0.750 85 E HN 0.103 nan 8.360 nan 0.000 0.452 86 V N 0.680 120.454 119.914 -0.233 0.000 2.261 86 V HA -0.268 3.757 4.120 -0.158 0.000 0.246 86 V C 1.939 177.923 176.094 -0.183 0.000 1.047 86 V CA 1.767 63.889 62.300 -0.297 0.000 1.015 86 V CB -0.598 30.903 31.823 -0.537 0.000 0.642 86 V HN 0.260 nan 8.190 nan 0.000 0.446 87 Y N 0.372 120.651 120.300 -0.035 0.000 2.293 87 Y HA -0.154 4.334 4.550 -0.103 0.000 0.291 87 Y C 2.597 178.657 175.900 0.267 0.000 1.137 87 Y CA 1.453 59.661 58.100 0.181 0.000 1.202 87 Y CB -0.652 37.966 38.460 0.264 0.000 0.990 87 Y HN 0.162 nan 8.280 nan 0.000 0.537 88 R N 1.056 121.727 120.500 0.285 0.000 2.105 88 R HA -0.131 4.114 4.340 -0.158 0.000 0.239 88 R C 1.677 178.087 176.300 0.182 0.000 1.135 88 R CA 1.808 58.045 56.100 0.229 0.000 0.967 88 R CB -0.350 30.035 30.300 0.142 0.000 0.861 88 R HN 0.222 nan 8.270 nan 0.000 0.442 89 E N -1.052 119.222 120.200 0.123 0.000 2.122 89 E HA -0.130 4.125 4.350 -0.158 0.000 0.190 89 E C 1.857 178.516 176.600 0.098 0.000 0.977 89 E CA 0.982 57.432 56.400 0.083 0.000 0.820 89 E CB -0.552 29.167 29.700 0.032 0.000 0.770 89 E HN 0.494 nan 8.360 nan 0.000 0.462 90 H N 0.017 119.071 119.070 -0.026 0.000 2.321 90 H HA -0.094 4.385 4.556 -0.128 0.000 0.300 90 H C 1.349 176.562 175.328 -0.192 0.000 1.087 90 H CA 1.569 57.522 56.048 -0.157 0.000 1.319 90 H CB -0.205 29.409 29.762 -0.247 0.000 1.379 90 H HN 0.035 nan 8.280 nan 0.000 0.501 91 F N 0.114 120.115 119.950 0.085 0.000 2.754 91 F HA 0.116 4.562 4.527 -0.135 0.000 0.297 91 F C 0.848 176.657 175.800 0.015 0.000 1.122 91 F CA 0.331 58.330 58.000 -0.000 0.000 1.400 91 F CB 0.253 39.294 39.000 0.070 0.000 1.117 91 F HN 0.052 nan 8.300 nan 0.000 0.587 92 Q N 1.048 120.962 119.800 0.190 0.000 2.475 92 Q HA -0.259 3.986 4.340 -0.158 0.000 0.280 92 Q C -0.887 175.195 176.000 0.137 0.000 1.234 92 Q CA 1.364 57.242 55.803 0.124 0.000 0.873 92 Q CB -1.829 26.954 28.738 0.076 0.000 1.256 92 Q HN 0.594 nan 8.270 nan 0.000 0.475 93 D N -1.295 119.216 120.400 0.185 0.000 2.720 93 D HA 0.143 4.688 4.640 -0.158 0.000 0.239 93 D C -1.578 174.826 176.300 0.172 0.000 1.218 93 D CA -0.482 53.603 54.000 0.142 0.000 0.748 93 D CB 0.855 41.719 40.800 0.106 0.000 1.387 93 D HN -0.066 nan 8.370 nan 0.000 0.438 94 D N 2.541 123.022 120.400 0.135 0.000 2.767 94 D HA 0.106 4.651 4.640 -0.158 0.000 0.241 94 D C 0.718 177.105 176.300 0.144 0.000 1.187 94 D CA 0.016 54.117 54.000 0.169 0.000 0.999 94 D CB 0.782 41.671 40.800 0.148 0.000 1.042 94 D HN 0.155 nan 8.370 nan 0.000 0.510 95 V N 3.156 123.132 119.914 0.103 0.000 3.129 95 V HA 0.045 4.070 4.120 -0.158 0.000 0.259 95 V C 0.749 176.932 176.094 0.148 0.000 1.116 95 V CA 0.005 62.328 62.300 0.040 0.000 1.127 95 V CB -0.553 31.140 31.823 -0.217 0.000 0.742 95 V HN 0.255 nan 8.190 nan 0.000 0.474 96 F N 2.456 122.431 119.950 0.042 0.000 2.642 96 F HA 0.054 4.504 4.527 -0.129 0.000 0.371 96 F C 0.739 176.505 175.800 -0.056 0.000 1.120 96 F CA 0.271 58.301 58.000 0.050 0.000 1.331 96 F CB 0.036 39.161 39.000 0.209 0.000 1.044 96 F HN 0.229 nan 8.300 nan 0.000 0.594 97 N N 4.570 122.673 118.700 -0.994 0.000 3.331 97 N HA -0.001 4.644 4.740 -0.158 0.000 0.303 97 N C 1.123 175.921 175.510 -1.188 0.000 1.326 97 N CA 0.265 52.571 53.050 -1.240 0.000 1.207 97 N CB -0.425 36.945 38.487 -1.862 0.000 1.477 97 N HN 0.847 nan 8.380 nan 0.000 0.541 98 E N 1.047 120.666 120.200 -0.968 0.000 2.130 98 E HA -0.270 3.985 4.350 -0.158 0.000 0.196 98 E C 1.700 178.168 176.600 -0.220 0.000 0.998 98 E CA 0.933 57.051 56.400 -0.469 0.000 0.806 98 E CB 0.120 29.804 29.700 -0.026 0.000 0.738 98 E HN 0.503 nan 8.360 nan 0.000 0.459 99 R N -0.240 120.117 120.500 -0.237 0.000 2.073 99 R HA -0.113 4.132 4.340 -0.158 0.000 0.234 99 R C 2.406 178.639 176.300 -0.111 0.000 1.134 99 R CA 1.631 57.657 56.100 -0.122 0.000 0.952 99 R CB -0.594 29.639 30.300 -0.113 0.000 0.850 99 R HN 0.274 nan 8.270 nan 0.000 0.433 100 G N -0.157 108.445 108.800 -0.330 0.000 2.421 100 G HA2 -0.271 3.593 3.960 -0.158 0.000 0.216 100 G HA3 -0.271 3.593 3.960 -0.158 0.000 0.216 100 G C 0.986 175.853 174.900 -0.054 0.000 1.171 100 G CA 0.726 45.662 45.100 -0.272 0.000 0.775 100 G HN 0.464 nan 8.290 nan 0.000 0.543 101 W N 0.674 121.887 121.300 -0.144 0.000 2.388 101 W HA 0.030 4.604 4.660 -0.144 0.000 0.294 101 W C 2.593 179.151 176.519 0.066 0.000 1.212 101 W CA 0.625 57.975 57.345 0.008 0.000 1.271 101 W CB -0.054 29.353 29.460 -0.088 0.000 1.126 101 W HN 0.130 nan 8.180 nan 0.000 0.535 102 N N -0.264 118.579 118.700 0.238 0.000 2.166 102 N HA -0.256 4.389 4.740 -0.158 0.000 0.186 102 N C 1.601 177.204 175.510 0.156 0.000 1.019 102 N CA 1.430 54.585 53.050 0.174 0.000 0.856 102 N CB -0.575 37.982 38.487 0.117 0.000 0.993 102 N HN 0.247 nan 8.380 nan 0.000 0.426 103 Y N 1.660 121.998 120.300 0.064 0.000 2.128 103 Y HA -0.107 4.346 4.550 -0.160 0.000 0.284 103 Y C 2.264 178.216 175.900 0.086 0.000 1.154 103 Y CA 1.529 59.661 58.100 0.052 0.000 1.149 103 Y CB -0.444 38.046 38.460 0.049 0.000 0.976 103 Y HN 0.021 nan 8.280 nan 0.000 0.505 104 I N -0.542 120.089 120.570 0.102 0.000 2.286 104 I HA -0.259 3.816 4.170 -0.158 0.000 0.248 104 I C 2.283 178.464 176.117 0.105 0.000 1.115 104 I CA 1.107 62.480 61.300 0.122 0.000 1.392 104 I CB -0.464 37.646 38.000 0.183 0.000 1.065 104 I HN 0.326 nan 8.210 nan 0.000 0.418 105 L N 1.053 122.348 121.223 0.119 0.000 2.017 105 L HA -0.195 4.050 4.340 -0.158 0.000 0.208 105 L C 2.362 179.239 176.870 0.010 0.000 1.073 105 L CA 1.945 56.847 54.840 0.103 0.000 0.745 105 L CB -0.606 41.524 42.059 0.118 0.000 0.894 105 L HN 0.196 nan 8.230 nan 0.000 0.432 106 E N -0.785 119.379 120.200 -0.060 0.000 2.112 106 E HA -0.220 4.035 4.350 -0.158 0.000 0.190 106 E C 2.015 178.472 176.600 -0.237 0.000 0.979 106 E CA 0.983 57.315 56.400 -0.113 0.000 0.814 106 E CB -0.023 29.623 29.700 -0.091 0.000 0.762 106 E HN 0.307 nan 8.360 nan 0.000 0.460 107 K N 0.228 120.363 120.400 -0.443 0.000 2.137 107 K HA -0.062 4.163 4.320 -0.158 0.000 0.202 107 K C 0.557 176.675 176.600 -0.804 0.000 1.052 107 K CA 1.065 56.907 56.287 -0.741 0.000 0.961 107 K CB 0.173 31.914 32.500 -1.265 0.000 0.741 107 K HN 0.086 nan 8.250 nan 0.000 0.452 108 Y N 0.162 120.371 120.300 -0.151 0.000 2.682 108 Y HA 0.239 4.693 4.550 -0.160 0.000 0.251 108 Y C -0.520 175.382 175.900 0.003 0.000 1.172 108 Y CA -0.663 57.391 58.100 -0.077 0.000 1.186 108 Y CB 0.273 38.714 38.460 -0.032 0.000 1.216 108 Y HN 0.112 nan 8.280 nan 0.000 0.540 109 D N 1.146 121.599 120.400 0.087 0.000 2.686 109 D HA -0.193 4.352 4.640 -0.158 0.000 0.235 109 D C 1.336 177.810 176.300 0.290 0.000 1.160 109 D CA 1.510 55.592 54.000 0.137 0.000 0.645 109 D CB -1.056 39.795 40.800 0.085 0.000 1.039 109 D HN 0.756 nan 8.370 nan 0.000 0.423 110 G N -0.269 108.681 108.800 0.250 0.000 2.155 110 G HA2 -0.354 3.511 3.960 -0.158 0.000 0.257 110 G HA3 -0.354 3.511 3.960 -0.158 0.000 0.257 110 G C 0.135 175.177 174.900 0.238 0.000 0.983 110 G CA 0.524 45.767 45.100 0.238 0.000 0.676 110 G HN 0.712 nan 8.290 nan 0.000 0.528 111 H N -0.522 118.636 119.070 0.147 0.000 2.502 111 H HA 0.574 5.035 4.556 -0.157 0.000 0.327 111 H C 1.004 176.369 175.328 0.063 0.000 1.099 111 H CA -0.614 55.500 56.048 0.109 0.000 1.323 111 H CB 0.859 30.659 29.762 0.064 0.000 1.450 111 H HN 0.218 nan 8.280 nan 0.000 0.502 112 L N 5.766 127.094 121.223 0.173 0.000 2.418 112 L HA 0.170 4.415 4.340 -0.158 0.000 0.274 112 L C -1.776 175.075 176.870 -0.032 0.000 1.135 112 L CA -1.632 53.261 54.840 0.089 0.000 0.870 112 L CB 0.501 42.671 42.059 0.184 0.000 1.154 112 L HN 0.494 nan 8.230 nan 0.000 0.462 113 P HA 0.200 nan 4.420 nan 0.000 0.231 113 P C -0.790 176.412 177.300 -0.164 0.000 1.811 113 P CA 0.093 62.968 63.100 -0.374 0.000 1.051 113 P CB -0.305 31.015 31.700 -0.633 0.000 1.951 114 I N -2.209 118.363 120.570 0.002 0.000 2.994 114 I HA 0.654 4.729 4.170 -0.158 0.000 0.306 114 I C -1.024 175.211 176.117 0.196 0.000 1.195 114 I CA -1.566 59.781 61.300 0.079 0.000 1.001 114 I CB 3.152 41.204 38.000 0.086 0.000 1.244 114 I HN -0.090 nan 8.210 nan 0.000 0.437 115 E N 3.325 123.628 120.200 0.172 0.000 2.210 115 E HA 0.664 4.918 4.350 -0.158 0.000 0.266 115 E C -1.922 174.802 176.600 0.206 0.000 0.883 115 E CA -0.771 55.749 56.400 0.199 0.000 0.761 115 E CB 2.480 32.260 29.700 0.134 0.000 1.156 115 E HN 0.589 nan 8.360 nan 0.000 0.412 116 V N 4.686 124.749 119.914 0.249 0.000 2.487 116 V HA 0.419 4.444 4.120 -0.158 0.000 0.298 116 V C -0.415 175.795 176.094 0.193 0.000 1.028 116 V CA -0.804 61.616 62.300 0.200 0.000 0.860 116 V CB 1.591 33.494 31.823 0.133 0.000 0.991 116 V HN 0.638 nan 8.190 nan 0.000 0.427 117 K N 3.043 123.554 120.400 0.184 0.000 2.259 117 K HA 0.931 5.156 4.320 -0.158 0.000 0.252 117 K C -0.545 176.164 176.600 0.182 0.000 0.936 117 K CA -0.510 55.877 56.287 0.168 0.000 0.810 117 K CB 2.523 35.099 32.500 0.127 0.000 1.143 117 K HN 0.857 nan 8.250 nan 0.000 0.427 118 A N 0.994 123.908 122.820 0.158 0.000 2.610 118 A HA 0.524 4.749 4.320 -0.158 0.000 0.291 118 A C -0.784 176.821 177.584 0.035 0.000 1.086 118 A CA -0.870 51.213 52.037 0.077 0.000 0.677 118 A CB 0.770 19.844 19.000 0.123 0.000 1.278 118 A HN 0.481 nan 8.150 nan 0.000 0.414 119 V N -1.500 118.303 119.914 -0.185 0.000 3.051 119 V HA 0.536 4.561 4.120 -0.158 0.000 0.306 119 V C -2.559 173.570 176.094 0.059 0.000 1.083 119 V CA -1.660 60.598 62.300 -0.071 0.000 1.104 119 V CB -0.131 31.584 31.823 -0.180 0.000 1.027 119 V HN 0.656 nan 8.190 nan 0.000 0.483 120 P HA 0.096 nan 4.420 nan 0.000 0.266 120 P C -0.233 176.935 177.300 -0.220 0.000 1.195 120 P CA 0.124 63.064 63.100 -0.267 0.000 0.768 120 P CB 0.221 31.784 31.700 -0.227 0.000 0.838 121 E N 1.859 121.754 120.200 -0.508 0.000 2.465 121 E HA 0.112 4.367 4.350 -0.158 0.000 0.260 121 E C 1.474 178.018 176.600 -0.093 0.000 0.980 121 E CA 1.395 57.754 56.400 -0.069 0.000 0.927 121 E CB -0.060 29.692 29.700 0.086 0.000 0.934 121 E HN 0.814 nan 8.360 nan 0.000 0.459 122 G N 2.951 111.767 108.800 0.026 0.000 2.217 122 G HA2 -0.283 3.582 3.960 -0.158 0.000 0.246 122 G HA3 -0.283 3.582 3.960 -0.158 0.000 0.246 122 G C 0.473 175.365 174.900 -0.012 0.000 0.990 122 G CA 0.223 45.289 45.100 -0.055 0.000 0.627 122 G HN 0.473 nan 8.290 nan 0.000 0.522 123 S N -0.197 115.535 115.700 0.053 0.000 2.558 123 S HA 0.378 4.753 4.470 -0.158 0.000 0.288 123 S C 0.549 175.175 174.600 0.043 0.000 1.318 123 S CA 0.170 58.402 58.200 0.052 0.000 1.056 123 S CB 1.814 65.053 63.200 0.066 0.000 0.853 123 S HN 0.748 nan 8.310 nan 0.000 0.505 124 V N 5.546 125.461 119.914 0.003 0.000 2.318 124 V HA 0.355 4.380 4.120 -0.158 0.000 0.271 124 V C -0.263 175.739 176.094 -0.154 0.000 1.030 124 V CA -0.429 61.855 62.300 -0.027 0.000 0.844 124 V CB 0.393 32.213 31.823 -0.005 0.000 1.015 124 V HN 0.629 nan 8.190 nan 0.000 0.460 125 I N 6.752 127.200 120.570 -0.202 0.000 2.509 125 I HA 0.514 4.589 4.170 -0.158 0.000 0.293 125 I C -2.499 173.452 176.117 -0.276 0.000 1.020 125 I CA -2.798 58.224 61.300 -0.463 0.000 1.088 125 I CB 2.007 39.767 38.000 -0.400 0.000 1.267 125 I HN 0.326 nan 8.210 nan 0.000 0.430 126 P HA 0.163 nan 4.420 nan 0.000 0.270 126 P C -0.072 177.190 177.300 -0.064 0.000 1.223 126 P CA -0.431 62.608 63.100 -0.102 0.000 0.785 126 P CB 0.489 32.170 31.700 -0.032 0.000 0.923 127 R N 1.301 121.798 120.500 -0.005 0.000 2.784 127 R HA 0.248 4.493 4.340 -0.158 0.000 0.266 127 R C 1.405 177.704 176.300 -0.001 0.000 1.044 127 R CA 1.030 57.135 56.100 0.009 0.000 1.151 127 R CB -0.972 29.347 30.300 0.033 0.000 1.037 127 R HN 0.908 nan 8.270 nan 0.000 0.478 128 G N 1.236 110.035 108.800 -0.002 0.000 2.143 128 G HA2 -0.303 3.562 3.960 -0.158 0.000 0.248 128 G HA3 -0.303 3.562 3.960 -0.158 0.000 0.248 128 G C -0.210 174.683 174.900 -0.011 0.000 0.991 128 G CA 0.386 45.485 45.100 -0.001 0.000 0.689 128 G HN 0.627 nan 8.290 nan 0.000 0.522 129 N N -1.389 117.299 118.700 -0.020 0.000 2.319 129 N HA 0.548 5.193 4.740 -0.158 0.000 0.305 129 N C -0.045 175.454 175.510 -0.019 0.000 1.103 129 N CA -0.456 52.573 53.050 -0.035 0.000 0.815 129 N CB 2.664 41.111 38.487 -0.066 0.000 1.288 129 N HN 0.288 nan 8.380 nan 0.000 0.493 130 V N 3.256 123.145 119.914 -0.041 0.000 2.585 130 V HA 0.074 4.099 4.120 -0.158 0.000 0.296 130 V C 0.455 176.539 176.094 -0.017 0.000 1.035 130 V CA 0.615 62.914 62.300 -0.002 0.000 1.084 130 V CB -0.153 31.622 31.823 -0.079 0.000 0.953 130 V HN 0.647 nan 8.190 nan 0.000 0.483 131 L N 6.651 127.888 121.223 0.023 0.000 2.500 131 L HA 0.420 4.665 4.340 -0.158 0.000 0.219 131 L C 0.133 176.957 176.870 -0.077 0.000 1.057 131 L CA 0.281 55.069 54.840 -0.088 0.000 0.854 131 L CB 0.126 42.255 42.059 0.116 0.000 1.078 131 L HN 0.776 nan 8.230 nan 0.000 0.480 132 F N -1.549 118.418 119.950 0.027 0.000 2.703 132 F HA 0.600 5.031 4.527 -0.160 0.000 0.308 132 F C -0.786 175.073 175.800 0.099 0.000 1.126 132 F CA -1.113 56.903 58.000 0.028 0.000 0.959 132 F CB 0.898 39.930 39.000 0.054 0.000 1.297 132 F HN -0.175 nan 8.300 nan 0.000 0.441 133 T N -0.022 114.707 114.554 0.291 0.000 2.907 133 T HA 0.877 5.132 4.350 -0.158 0.000 0.292 133 T C -1.478 173.297 174.700 0.125 0.000 1.043 133 T CA -0.868 61.246 62.100 0.024 0.000 1.003 133 T CB 1.747 70.472 68.868 -0.238 0.000 1.084 133 T HN 0.921 nan 8.240 nan 0.000 0.483 134 V N 1.938 121.841 119.914 -0.018 0.000 2.760 134 V HA 0.780 4.805 4.120 -0.158 0.000 0.309 134 V C -0.775 175.327 176.094 0.014 0.000 1.077 134 V CA -0.908 61.460 62.300 0.113 0.000 0.910 134 V CB 1.601 33.627 31.823 0.339 0.000 1.008 134 V HN 1.206 nan 8.190 nan 0.000 0.424 135 E N 2.599 122.855 120.200 0.094 0.000 2.375 135 E HA 0.405 4.660 4.350 -0.158 0.000 0.280 135 E C -1.552 175.103 176.600 0.092 0.000 0.972 135 E CA -1.020 55.464 56.400 0.139 0.000 0.782 135 E CB 1.906 31.769 29.700 0.272 0.000 1.229 135 E HN 0.636 nan 8.360 nan 0.000 0.439 136 N N 1.002 119.731 118.700 0.048 0.000 2.530 136 N HA 0.047 4.692 4.740 -0.158 0.000 0.277 136 N C 0.421 175.935 175.510 0.006 0.000 1.168 136 N CA 0.080 53.110 53.050 -0.032 0.000 0.979 136 N CB 1.398 39.814 38.487 -0.119 0.000 1.141 136 N HN 0.691 nan 8.380 nan 0.000 0.459 137 T N -3.933 110.602 114.554 -0.031 0.000 3.054 137 T HA 0.079 4.334 4.350 -0.158 0.000 0.255 137 T C -0.189 174.517 174.700 0.011 0.000 1.035 137 T CA -0.247 61.851 62.100 -0.003 0.000 0.941 137 T CB -0.010 68.841 68.868 -0.027 0.000 1.026 137 T HN 0.576 nan 8.240 nan 0.000 0.533 138 D N 1.638 122.038 120.400 0.000 0.000 2.696 138 D HA 0.286 4.831 4.640 -0.158 0.000 0.251 138 D C -1.981 174.348 176.300 0.048 0.000 1.188 138 D CA -2.235 51.815 54.000 0.083 0.000 0.876 138 D CB 2.856 43.777 40.800 0.202 0.000 1.334 138 D HN -0.160 nan 8.370 nan 0.000 0.540 139 P HA -0.172 nan 4.420 nan 0.000 0.218 139 P C 0.807 178.165 177.300 0.097 0.000 1.146 139 P CA 0.958 64.097 63.100 0.065 0.000 0.820 139 P CB 0.610 32.339 31.700 0.049 0.000 0.778 140 E N -0.871 119.339 120.200 0.017 0.000 2.347 140 E HA -0.057 4.198 4.350 -0.158 0.000 0.196 140 E C 1.068 177.614 176.600 -0.090 0.000 1.008 140 E CA 0.604 56.966 56.400 -0.063 0.000 0.852 140 E CB -0.576 28.819 29.700 -0.508 0.000 0.783 140 E HN 0.320 nan 8.360 nan 0.000 0.505 141 C N 1.818 120.980 119.300 -0.230 0.000 2.336 141 C HA 0.160 4.525 4.460 -0.158 0.000 0.332 141 C C 1.737 176.237 174.990 -0.817 0.000 1.375 141 C CA -1.045 57.514 59.018 -0.764 0.000 1.785 141 C CB -2.301 25.062 27.740 -0.628 0.000 2.407 141 C HN 0.449 nan 8.230 nan 0.000 0.562 142 Y N -0.119 119.960 120.300 -0.368 0.000 2.315 142 Y HA -0.171 4.285 4.550 -0.156 0.000 0.288 142 Y C 2.167 177.881 175.900 -0.310 0.000 1.154 142 Y CA 1.340 59.274 58.100 -0.277 0.000 1.229 142 Y CB -0.896 37.452 38.460 -0.186 0.000 0.980 142 Y HN 0.637 nan 8.280 nan 0.000 0.540 143 W N 0.186 120.978 121.300 -0.847 0.000 2.678 143 W HA 0.053 4.618 4.660 -0.158 0.000 0.256 143 W C 1.257 177.734 176.519 -0.071 0.000 1.280 143 W CA 0.182 57.301 57.345 -0.377 0.000 1.345 143 W CB -0.930 28.299 29.460 -0.385 0.000 1.118 143 W HN 0.245 nan 8.180 nan 0.000 0.629 144 L N 2.616 123.285 121.223 -0.924 0.000 2.141 144 L HA -0.078 4.167 4.340 -0.158 0.000 0.209 144 L C 2.402 179.223 176.870 -0.081 0.000 1.094 144 L CA 2.397 56.828 54.840 -0.681 0.000 0.763 144 L CB -1.062 40.338 42.059 -1.098 0.000 0.908 144 L HN -0.163 nan 8.230 nan 0.000 0.437 145 T N 0.224 114.746 114.554 -0.053 0.000 2.624 145 T HA -0.215 4.040 4.350 -0.158 0.000 0.268 145 T C 1.551 176.432 174.700 0.303 0.000 1.041 145 T CA 2.185 64.363 62.100 0.130 0.000 1.159 145 T CB -0.350 68.596 68.868 0.129 0.000 0.863 145 T HN 0.348 nan 8.240 nan 0.000 0.434 146 N N -0.178 118.740 118.700 0.365 0.000 2.412 146 N HA 0.063 4.708 4.740 -0.158 0.000 0.184 146 N C 1.137 176.864 175.510 0.361 0.000 1.101 146 N CA -0.041 53.265 53.050 0.426 0.000 0.881 146 N CB -0.116 38.658 38.487 0.478 0.000 0.969 146 N HN 0.477 nan 8.380 nan 0.000 0.459 147 W N 1.960 123.408 121.300 0.247 0.000 2.358 147 W HA -0.053 4.507 4.660 -0.167 0.000 0.303 147 W C 0.977 177.608 176.519 0.187 0.000 1.208 147 W CA 0.963 58.474 57.345 0.278 0.000 1.274 147 W CB -0.116 29.596 29.460 0.420 0.000 1.138 147 W HN 0.061 nan 8.180 nan 0.000 0.515 148 I N -0.601 120.228 120.570 0.431 0.000 3.749 148 I HA 0.069 4.144 4.170 -0.158 0.000 0.314 148 I C 1.812 177.913 176.117 -0.027 0.000 1.267 148 I CA 0.726 62.172 61.300 0.243 0.000 1.169 148 I CB -0.733 37.385 38.000 0.195 0.000 1.009 148 I HN -0.017 nan 8.210 nan 0.000 0.444 149 E N 2.223 122.334 120.200 -0.149 0.000 2.051 149 E HA -0.201 4.053 4.350 -0.158 0.000 0.192 149 E C 1.715 178.136 176.600 -0.298 0.000 0.991 149 E CA 2.299 58.344 56.400 -0.591 0.000 0.799 149 E CB -0.084 29.319 29.700 -0.496 0.000 0.748 149 E HN 0.528 nan 8.360 nan 0.000 0.449 150 T N 1.744 116.237 114.554 -0.103 0.000 2.635 150 T HA -0.210 4.045 4.350 -0.158 0.000 0.267 150 T C 1.951 176.648 174.700 -0.005 0.000 1.040 150 T CA 1.568 63.657 62.100 -0.018 0.000 1.156 150 T CB -0.386 68.481 68.868 -0.002 0.000 0.863 150 T HN 0.271 nan 8.240 nan 0.000 0.430 151 I N 0.429 120.989 120.570 -0.017 0.000 2.226 151 I HA -0.102 3.973 4.170 -0.158 0.000 0.245 151 I C 2.055 178.150 176.117 -0.037 0.000 1.100 151 I CA 1.245 62.527 61.300 -0.031 0.000 1.374 151 I CB -0.062 37.923 38.000 -0.025 0.000 1.057 151 I HN 0.219 nan 8.210 nan 0.000 0.413 152 L N -0.479 120.705 121.223 -0.065 0.000 2.109 152 L HA -0.154 4.091 4.340 -0.158 0.000 0.207 152 L C 2.452 179.346 176.870 0.040 0.000 1.086 152 L CA 0.658 55.460 54.840 -0.063 0.000 0.760 152 L CB -0.550 41.479 42.059 -0.050 0.000 0.910 152 L HN 0.090 nan 8.230 nan 0.000 0.437 153 V N -0.217 119.740 119.914 0.072 0.000 2.720 153 V HA -0.263 3.762 4.120 -0.158 0.000 0.256 153 V C 2.247 178.580 176.094 0.398 0.000 1.082 153 V CA 1.398 63.869 62.300 0.285 0.000 1.101 153 V CB -0.535 31.438 31.823 0.250 0.000 0.693 153 V HN 0.534 nan 8.190 nan 0.000 0.479 154 Q N 0.184 120.132 119.800 0.247 0.000 2.541 154 Q HA -0.118 4.127 4.340 -0.158 0.000 0.215 154 Q C 2.203 178.187 176.000 -0.027 0.000 0.977 154 Q CA 1.239 57.166 55.803 0.207 0.000 0.934 154 Q CB -0.234 28.559 28.738 0.092 0.000 0.988 154 Q HN 0.825 nan 8.270 nan 0.000 0.521 155 S N 0.264 115.965 115.700 0.001 0.000 2.515 155 S HA -0.106 4.269 4.470 -0.158 0.000 0.231 155 S C 1.570 176.131 174.600 -0.066 0.000 0.987 155 S CA 0.066 58.187 58.200 -0.132 0.000 0.936 155 S CB -0.639 62.426 63.200 -0.225 0.000 0.766 155 S HN 0.684 nan 8.310 nan 0.000 0.528 156 W N 0.863 122.265 121.300 0.169 0.000 2.342 156 W HA -0.213 4.349 4.660 -0.162 0.000 0.297 156 W C 1.726 178.355 176.519 0.183 0.000 1.213 156 W CA 0.785 58.291 57.345 0.269 0.000 1.251 156 W CB -1.199 28.446 29.460 0.308 0.000 1.136 156 W HN 0.357 nan 8.180 nan 0.000 0.526 157 Y N 4.337 123.783 120.300 -1.423 0.000 2.049 157 Y HA -0.172 4.284 4.550 -0.155 0.000 0.277 157 Y C -0.037 175.544 175.900 -0.532 0.000 1.143 157 Y CA 2.498 59.751 58.100 -1.412 0.000 1.115 157 Y CB -2.000 35.687 38.460 -1.287 0.000 0.975 157 Y HN -0.212 nan 8.280 nan 0.000 0.487 158 P HA -0.181 nan 4.420 nan 0.000 0.218 158 P C 1.851 179.031 177.300 -0.200 0.000 1.149 158 P CA 1.966 64.826 63.100 -0.400 0.000 0.817 158 P CB -0.166 31.356 31.700 -0.297 0.000 0.785 159 I N -0.088 120.390 120.570 -0.154 0.000 2.179 159 I HA -0.206 3.869 4.170 -0.158 0.000 0.242 159 I C 2.351 178.467 176.117 -0.001 0.000 1.088 159 I CA 1.858 63.151 61.300 -0.010 0.000 1.357 159 I CB -1.066 37.015 38.000 0.134 0.000 1.051 159 I HN -0.004 nan 8.210 nan 0.000 0.409 160 T N 0.233 114.779 114.554 -0.014 0.000 2.777 160 T HA -0.107 4.148 4.350 -0.158 0.000 0.266 160 T C 1.998 176.642 174.700 -0.094 0.000 1.040 160 T CA 1.113 63.212 62.100 -0.001 0.000 1.141 160 T CB -0.255 68.725 68.868 0.187 0.000 0.868 160 T HN 0.084 nan 8.240 nan 0.000 0.444 161 V N 1.847 121.612 119.914 -0.250 0.000 2.261 161 V HA -0.188 3.837 4.120 -0.158 0.000 0.246 161 V C 2.929 178.972 176.094 -0.085 0.000 1.047 161 V CA 1.805 63.970 62.300 -0.226 0.000 1.015 161 V CB -1.257 30.305 31.823 -0.435 0.000 0.642 161 V HN 0.530 nan 8.190 nan 0.000 0.446 162 A N -0.356 122.411 122.820 -0.088 0.000 1.908 162 A HA -0.246 3.979 4.320 -0.158 0.000 0.218 162 A C 2.392 179.970 177.584 -0.009 0.000 1.181 162 A CA 2.661 54.662 52.037 -0.060 0.000 0.627 162 A CB -1.005 17.949 19.000 -0.076 0.000 0.818 162 A HN 0.528 nan 8.150 nan 0.000 0.445 163 T N 0.042 114.605 114.554 0.015 0.000 2.701 163 T HA -0.155 4.099 4.350 -0.158 0.000 0.263 163 T C 1.964 176.750 174.700 0.143 0.000 1.040 163 T CA 1.648 63.791 62.100 0.071 0.000 1.147 163 T CB -0.486 68.421 68.868 0.065 0.000 0.865 163 T HN 0.651 nan 8.240 nan 0.000 0.426 164 N N 0.803 119.579 118.700 0.126 0.000 2.149 164 N HA -0.106 4.539 4.740 -0.158 0.000 0.188 164 N C 1.986 177.607 175.510 0.187 0.000 1.019 164 N CA 1.583 54.770 53.050 0.229 0.000 0.857 164 N CB -0.396 38.173 38.487 0.136 0.000 0.997 164 N HN 0.243 nan 8.380 nan 0.000 0.426 165 S N -0.245 115.548 115.700 0.155 0.000 2.368 165 S HA -0.078 4.297 4.470 -0.158 0.000 0.224 165 S C 1.997 176.750 174.600 0.255 0.000 1.029 165 S CA 0.958 59.302 58.200 0.239 0.000 0.988 165 S CB -0.327 63.051 63.200 0.298 0.000 0.838 165 S HN 0.425 nan 8.310 nan 0.000 0.462 166 R N 0.386 120.960 120.500 0.123 0.000 2.115 166 R HA -0.010 4.235 4.340 -0.158 0.000 0.230 166 R C 2.012 178.352 176.300 0.067 0.000 1.111 166 R CA 1.392 57.515 56.100 0.039 0.000 0.976 166 R CB -0.140 30.150 30.300 -0.017 0.000 0.870 166 R HN 0.335 nan 8.270 nan 0.000 0.445 167 E N 0.623 120.887 120.200 0.107 0.000 2.150 167 E HA -0.189 4.066 4.350 -0.158 0.000 0.193 167 E C 1.887 178.524 176.600 0.063 0.000 0.985 167 E CA 1.135 57.577 56.400 0.070 0.000 0.814 167 E CB 0.002 29.744 29.700 0.068 0.000 0.752 167 E HN 0.529 nan 8.360 nan 0.000 0.466 168 Q N 0.243 120.108 119.800 0.108 0.000 2.172 168 Q HA -0.073 4.172 4.340 -0.158 0.000 0.200 168 Q C 2.119 178.218 176.000 0.164 0.000 0.964 168 Q CA 0.900 56.758 55.803 0.091 0.000 0.855 168 Q CB -0.001 28.782 28.738 0.074 0.000 0.918 168 Q HN 0.079 nan 8.270 nan 0.000 0.444 169 K N 1.139 121.690 120.400 0.252 0.000 2.148 169 K HA -0.129 4.096 4.320 -0.158 0.000 0.204 169 K C 1.691 178.338 176.600 0.078 0.000 1.050 169 K CA 0.961 57.382 56.287 0.224 0.000 0.942 169 K CB 0.215 32.652 32.500 -0.106 0.000 0.724 169 K HN 0.001 nan 8.250 nan 0.000 0.446 170 K N 0.504 120.932 120.400 0.046 0.000 2.026 170 K HA -0.095 4.129 4.320 -0.158 0.000 0.208 170 K C 2.087 178.721 176.600 0.057 0.000 1.048 170 K CA 1.542 57.844 56.287 0.026 0.000 0.929 170 K CB -0.124 32.383 32.500 0.012 0.000 0.713 170 K HN 0.152 nan 8.250 nan 0.000 0.439 171 I N 1.210 121.821 120.570 0.069 0.000 2.142 171 I HA -0.316 3.759 4.170 -0.158 0.000 0.240 171 I C 2.252 178.469 176.117 0.166 0.000 1.078 171 I CA 1.299 62.666 61.300 0.112 0.000 1.343 171 I CB -0.294 37.721 38.000 0.025 0.000 1.046 171 I HN 0.124 nan 8.210 nan 0.000 0.405 172 L N 0.450 121.739 121.223 0.109 0.000 2.042 172 L HA -0.232 4.012 4.340 -0.158 0.000 0.210 172 L C 2.857 179.814 176.870 0.145 0.000 1.076 172 L CA 1.432 56.353 54.840 0.134 0.000 0.749 172 L CB -0.734 41.426 42.059 0.169 0.000 0.893 172 L HN 0.263 nan 8.230 nan 0.000 0.432 173 A N 0.159 123.039 122.820 0.100 0.000 1.865 173 A HA -0.286 3.939 4.320 -0.158 0.000 0.217 173 A C 2.392 179.999 177.584 0.039 0.000 1.191 173 A CA 2.162 54.230 52.037 0.052 0.000 0.623 173 A CB -0.554 18.453 19.000 0.010 0.000 0.826 173 A HN 0.364 nan 8.150 nan 0.000 0.444 174 K N -1.697 118.727 120.400 0.039 0.000 2.044 174 K HA -0.224 4.001 4.320 -0.158 0.000 0.210 174 K C 1.827 178.345 176.600 -0.136 0.000 1.049 174 K CA 2.113 58.368 56.287 -0.053 0.000 0.927 174 K CB -0.382 32.075 32.500 -0.072 0.000 0.713 174 K HN 0.534 nan 8.250 nan 0.000 0.443 175 Y N 0.273 120.558 120.300 -0.026 0.000 2.337 175 Y HA -0.106 4.349 4.550 -0.158 0.000 0.293 175 Y C 2.002 177.864 175.900 -0.065 0.000 1.123 175 Y CA 0.609 58.681 58.100 -0.047 0.000 1.201 175 Y CB -0.155 38.287 38.460 -0.029 0.000 1.011 175 Y HN 0.108 nan 8.280 nan 0.000 0.545 176 L N -0.291 120.998 121.223 0.109 0.000 2.027 176 L HA -0.162 4.082 4.340 -0.158 0.000 0.206 176 L C 2.200 179.067 176.870 -0.005 0.000 1.074 176 L CA 1.483 56.355 54.840 0.054 0.000 0.745 176 L CB -1.044 41.059 42.059 0.074 0.000 0.898 176 L HN 0.256 nan 8.230 nan 0.000 0.433 177 L N -0.222 120.993 121.223 -0.014 0.000 2.046 177 L HA -0.218 4.027 4.340 -0.158 0.000 0.208 177 L C 2.491 179.327 176.870 -0.056 0.000 1.077 177 L CA 2.163 56.984 54.840 -0.031 0.000 0.747 177 L CB -0.769 41.270 42.059 -0.034 0.000 0.896 177 L HN 0.551 nan 8.230 nan 0.000 0.432 178 E N -1.309 118.829 120.200 -0.102 0.000 2.106 178 E HA -0.200 4.055 4.350 -0.158 0.000 0.192 178 E C 1.701 178.202 176.600 -0.164 0.000 0.984 178 E CA 1.528 57.852 56.400 -0.128 0.000 0.806 178 E CB -0.034 29.535 29.700 -0.219 0.000 0.750 178 E HN 0.696 nan 8.360 nan 0.000 0.458 179 T N -2.562 111.827 114.554 -0.274 0.000 3.060 179 T HA 0.092 4.347 4.350 -0.158 0.000 0.249 179 T C 1.600 176.195 174.700 -0.176 0.000 1.079 179 T CA 0.579 62.345 62.100 -0.556 0.000 1.013 179 T CB 0.447 68.839 68.868 -0.793 0.000 0.975 179 T HN 0.131 nan 8.240 nan 0.000 0.518 180 S N -0.579 115.085 115.700 -0.060 0.000 2.631 180 S HA 0.540 4.914 4.470 -0.158 0.000 0.246 180 S C 1.864 176.475 174.600 0.019 0.000 1.068 180 S CA 0.607 58.811 58.200 0.007 0.000 0.995 180 S CB 0.069 63.274 63.200 0.009 0.000 0.944 180 S HN 1.174 nan 8.310 nan 0.000 0.529 181 G N 1.875 110.679 108.800 0.006 0.000 2.194 181 G HA2 -0.207 3.658 3.960 -0.158 0.000 0.236 181 G HA3 -0.207 3.658 3.960 -0.158 0.000 0.236 181 G C -0.157 174.745 174.900 0.003 0.000 0.987 181 G CA 0.302 45.408 45.100 0.009 0.000 0.635 181 G HN 1.113 nan 8.290 nan 0.000 0.520 182 N N -1.494 117.208 118.700 0.003 0.000 3.204 182 N HA 0.676 5.321 4.740 -0.158 0.000 0.285 182 N C 0.029 175.542 175.510 0.004 0.000 1.536 182 N CA -0.942 52.109 53.050 0.002 0.000 0.832 182 N CB 0.370 38.860 38.487 0.005 0.000 1.645 182 N HN 0.059 nan 8.380 nan 0.000 0.586 183 L N -0.530 120.696 121.223 0.004 0.000 3.202 183 L HA 0.397 4.642 4.340 -0.158 0.000 0.278 183 L C -0.852 176.028 176.870 0.017 0.000 1.268 183 L CA -0.518 54.327 54.840 0.009 0.000 1.034 183 L CB -0.212 41.842 42.059 -0.007 0.000 1.407 183 L HN 0.470 nan 8.230 nan 0.000 0.581 184 D N 1.510 121.923 120.400 0.020 0.000 2.493 184 D HA 0.184 4.729 4.640 -0.158 0.000 0.240 184 D C 1.369 177.703 176.300 0.056 0.000 1.142 184 D CA 1.346 55.363 54.000 0.029 0.000 0.872 184 D CB 1.094 41.907 40.800 0.020 0.000 1.173 184 D HN 0.360 nan 8.370 nan 0.000 0.467 185 G N 1.597 110.449 108.800 0.087 0.000 2.155 185 G HA2 -0.345 3.520 3.960 -0.158 0.000 0.257 185 G HA3 -0.345 3.520 3.960 -0.158 0.000 0.257 185 G C 0.979 175.989 174.900 0.183 0.000 0.983 185 G CA 0.591 45.793 45.100 0.170 0.000 0.676 185 G HN 0.511 nan 8.290 nan 0.000 0.528 186 L N 0.792 122.075 121.223 0.100 0.000 2.012 186 L HA 0.038 4.283 4.340 -0.158 0.000 0.210 186 L C 2.378 179.315 176.870 0.112 0.000 1.073 186 L CA 2.909 57.807 54.840 0.097 0.000 0.748 186 L CB -0.412 41.652 42.059 0.009 0.000 0.891 186 L HN 0.398 nan 8.230 nan 0.000 0.431 187 E N -1.272 118.884 120.200 -0.073 0.000 2.501 187 E HA -0.211 4.044 4.350 -0.158 0.000 0.203 187 E C 0.749 177.270 176.600 -0.131 0.000 1.072 187 E CA 0.857 57.109 56.400 -0.246 0.000 0.885 187 E CB -0.142 29.280 29.700 -0.464 0.000 0.813 187 E HN 0.655 nan 8.360 nan 0.000 0.556 188 Y N -0.626 119.804 120.300 0.217 0.000 2.557 188 Y HA 0.151 4.606 4.550 -0.159 0.000 0.247 188 Y C 1.528 177.552 175.900 0.207 0.000 1.164 188 Y CA -0.315 57.905 58.100 0.199 0.000 1.218 188 Y CB 0.697 39.186 38.460 0.048 0.000 1.210 188 Y HN -0.175 nan 8.280 nan 0.000 0.529 189 K N 0.202 120.814 120.400 0.354 0.000 2.432 189 K HA 0.124 4.349 4.320 -0.158 0.000 0.196 189 K C -0.201 176.458 176.600 0.099 0.000 1.038 189 K CA 0.398 56.833 56.287 0.247 0.000 0.986 189 K CB 0.410 33.088 32.500 0.297 0.000 0.782 189 K HN 0.137 nan 8.250 nan 0.000 0.485 190 L N 1.180 122.277 121.223 -0.210 0.000 2.415 190 L HA 0.284 4.529 4.340 -0.158 0.000 0.268 190 L C -1.178 175.509 176.870 -0.306 0.000 0.984 190 L CA -0.521 54.054 54.840 -0.441 0.000 0.853 190 L CB 1.223 42.681 42.059 -1.002 0.000 1.215 190 L HN 0.043 nan 8.230 nan 0.000 0.419 191 H N 2.530 121.403 119.070 -0.328 0.000 2.467 191 H HA 0.267 4.728 4.556 -0.159 0.000 0.331 191 H C -1.096 173.887 175.328 -0.575 0.000 1.120 191 H CA -0.310 55.535 56.048 -0.338 0.000 1.270 191 H CB 1.705 31.214 29.762 -0.423 0.000 1.466 191 H HN 0.654 nan 8.280 nan 0.000 0.504 192 D N 3.951 124.118 120.400 -0.387 0.000 2.339 192 D HA 0.008 4.553 4.640 -0.158 0.000 0.241 192 D C -0.333 176.056 176.300 0.147 0.000 1.183 192 D CA -0.170 53.639 54.000 -0.320 0.000 0.859 192 D CB -0.138 40.451 40.800 -0.351 0.000 1.067 192 D HN 0.279 nan 8.370 nan 0.000 0.484 193 F N 1.838 121.787 119.950 -0.002 0.000 2.668 193 F HA 0.345 4.777 4.527 -0.159 0.000 0.301 193 F C 2.045 177.868 175.800 0.038 0.000 1.106 193 F CA -0.742 57.284 58.000 0.042 0.000 1.289 193 F CB 0.462 39.476 39.000 0.024 0.000 1.006 193 F HN 0.528 nan 8.300 nan 0.000 0.535 194 G N -1.600 107.309 108.800 0.181 0.000 2.920 194 G HA2 -0.178 3.687 3.960 -0.158 0.000 0.208 194 G HA3 -0.178 3.687 3.960 -0.158 0.000 0.208 194 G C 1.485 176.497 174.900 0.186 0.000 1.159 194 G CA -0.005 45.178 45.100 0.139 0.000 0.784 194 G HN 0.378 nan 8.290 nan 0.000 0.535 195 Y N 1.808 122.144 120.300 0.061 0.000 2.040 195 Y HA -0.349 4.105 4.550 -0.160 0.000 0.275 195 Y C 3.094 179.010 175.900 0.028 0.000 1.171 195 Y CA 1.883 60.006 58.100 0.039 0.000 1.123 195 Y CB 0.171 38.650 38.460 0.031 0.000 0.963 195 Y HN 0.325 nan 8.280 nan 0.000 0.493 196 R N -0.151 120.458 120.500 0.183 0.000 2.189 196 R HA -0.020 4.225 4.340 -0.158 0.000 0.218 196 R C 1.981 178.326 176.300 0.075 0.000 1.074 196 R CA 1.261 57.394 56.100 0.056 0.000 0.991 196 R CB -0.824 29.477 30.300 0.002 0.000 0.883 196 R HN 0.321 nan 8.270 nan 0.000 0.457 197 G N 1.808 110.670 108.800 0.103 0.000 2.920 197 G HA2 0.122 3.987 3.960 -0.158 0.000 0.208 197 G HA3 0.122 3.987 3.960 -0.158 0.000 0.208 197 G C 0.649 175.600 174.900 0.085 0.000 1.159 197 G CA 0.329 45.480 45.100 0.085 0.000 0.784 197 G HN 0.231 nan 8.290 nan 0.000 0.535 198 V N -1.743 118.233 119.914 0.102 0.000 3.234 198 V HA 0.591 4.616 4.120 -0.158 0.000 0.317 198 V C 1.434 177.561 176.094 0.055 0.000 1.081 198 V CA 0.247 62.595 62.300 0.080 0.000 1.037 198 V CB 1.301 33.177 31.823 0.088 0.000 1.148 198 V HN 0.128 nan 8.190 nan 0.000 0.453 199 S N -0.100 115.612 115.700 0.019 0.000 2.489 199 S HA 0.179 4.554 4.470 -0.158 0.000 0.228 199 S C 0.770 175.378 174.600 0.013 0.000 0.995 199 S CA 0.417 58.622 58.200 0.008 0.000 0.934 199 S CB -0.741 62.451 63.200 -0.014 0.000 0.771 199 S HN 1.890 nan 8.310 nan 0.000 0.522 200 S N -1.264 114.451 115.700 0.025 0.000 2.636 200 S HA 0.382 4.757 4.470 -0.158 0.000 0.266 200 S C -0.019 174.631 174.600 0.084 0.000 1.147 200 S CA -0.851 57.374 58.200 0.042 0.000 0.815 200 S CB 0.797 64.009 63.200 0.019 0.000 1.119 200 S HN -0.089 nan 8.310 nan 0.000 0.470 201 Q N 1.089 120.949 119.800 0.101 0.000 2.050 201 Q HA -0.109 4.136 4.340 -0.158 0.000 0.202 201 Q C 1.884 177.937 176.000 0.089 0.000 0.980 201 Q CA 2.239 58.132 55.803 0.150 0.000 0.840 201 Q CB -0.598 28.218 28.738 0.130 0.000 0.898 201 Q HN 0.932 nan 8.270 nan 0.000 0.424 202 E N -0.128 120.108 120.200 0.061 0.000 2.077 202 E HA -0.149 4.106 4.350 -0.158 0.000 0.193 202 E C 1.740 178.338 176.600 -0.004 0.000 0.989 202 E CA 1.536 57.962 56.400 0.043 0.000 0.800 202 E CB 0.161 29.904 29.700 0.072 0.000 0.746 202 E HN 0.231 nan 8.360 nan 0.000 0.452 203 T N 0.481 115.019 114.554 -0.027 0.000 2.759 203 T HA -0.148 4.107 4.350 -0.158 0.000 0.269 203 T C 1.762 176.466 174.700 0.007 0.000 1.042 203 T CA 1.211 63.260 62.100 -0.085 0.000 1.140 203 T CB -0.283 68.476 68.868 -0.182 0.000 0.864 203 T HN 0.363 nan 8.240 nan 0.000 0.455 204 A N 1.231 124.054 122.820 0.004 0.000 1.902 204 A HA 0.098 4.323 4.320 -0.158 0.000 0.217 204 A C 2.604 180.104 177.584 -0.140 0.000 1.181 204 A CA 1.901 53.903 52.037 -0.058 0.000 0.623 204 A CB -1.302 17.644 19.000 -0.091 0.000 0.818 204 A HN 0.514 nan 8.150 nan 0.000 0.443 205 G N -0.066 108.659 108.800 -0.124 0.000 2.404 205 G HA2 -0.147 3.718 3.960 -0.158 0.000 0.215 205 G HA3 -0.147 3.718 3.960 -0.158 0.000 0.215 205 G C 1.542 176.353 174.900 -0.149 0.000 1.174 205 G CA 1.069 46.083 45.100 -0.143 0.000 0.780 205 G HN 0.465 nan 8.290 nan 0.000 0.537 206 I N 1.268 121.746 120.570 -0.152 0.000 2.142 206 I HA -0.107 3.968 4.170 -0.158 0.000 0.240 206 I C 3.115 179.197 176.117 -0.059 0.000 1.078 206 I CA 1.191 62.378 61.300 -0.188 0.000 1.343 206 I CB -0.566 37.355 38.000 -0.133 0.000 1.046 206 I HN 0.245 nan 8.210 nan 0.000 0.405 207 G N 0.355 109.205 108.800 0.084 0.000 2.418 207 G HA2 -0.236 3.629 3.960 -0.158 0.000 0.217 207 G HA3 -0.236 3.629 3.960 -0.158 0.000 0.217 207 G C 1.852 176.716 174.900 -0.061 0.000 1.158 207 G CA 0.842 45.916 45.100 -0.044 0.000 0.771 207 G HN 0.502 nan 8.290 nan 0.000 0.545 208 A N 1.273 124.057 122.820 -0.059 0.000 1.933 208 A HA -0.034 4.191 4.320 -0.158 0.000 0.218 208 A C 2.745 180.305 177.584 -0.039 0.000 1.175 208 A CA 2.568 54.569 52.037 -0.059 0.000 0.628 208 A CB -0.715 18.208 19.000 -0.129 0.000 0.814 208 A HN 0.760 nan 8.150 nan 0.000 0.444 209 S N 0.017 115.672 115.700 -0.076 0.000 2.402 209 S HA 0.099 4.474 4.470 -0.158 0.000 0.229 209 S C 2.051 176.614 174.600 -0.062 0.000 1.021 209 S CA 1.197 59.336 58.200 -0.101 0.000 0.974 209 S CB -0.565 62.586 63.200 -0.082 0.000 0.800 209 S HN 0.848 nan 8.310 nan 0.000 0.484 210 A N 1.773 124.581 122.820 -0.020 0.000 1.898 210 A HA -0.101 4.124 4.320 -0.158 0.000 0.216 210 A C 2.112 179.626 177.584 -0.118 0.000 1.181 210 A CA 1.844 53.811 52.037 -0.116 0.000 0.620 210 A CB -1.369 17.584 19.000 -0.078 0.000 0.819 210 A HN 0.747 nan 8.150 nan 0.000 0.442 211 H N 0.065 119.069 119.070 -0.110 0.000 2.353 211 H HA 0.039 4.500 4.556 -0.159 0.000 0.300 211 H C 1.529 176.862 175.328 0.008 0.000 1.090 211 H CA 1.721 57.747 56.048 -0.036 0.000 1.327 211 H CB -0.319 29.415 29.762 -0.047 0.000 1.383 211 H HN 0.350 nan 8.280 nan 0.000 0.508 212 L N -0.136 121.055 121.223 -0.053 0.000 2.549 212 L HA -0.084 4.161 4.340 -0.158 0.000 0.229 212 L C 2.052 178.910 176.870 -0.020 0.000 1.158 212 L CA 0.147 54.965 54.840 -0.037 0.000 0.842 212 L CB -0.131 41.947 42.059 0.032 0.000 0.952 212 L HN 0.227 nan 8.230 nan 0.000 0.452 213 V N 0.159 119.957 119.914 -0.193 0.000 2.548 213 V HA -0.185 3.839 4.120 -0.158 0.000 0.249 213 V C 1.883 177.710 176.094 -0.446 0.000 1.055 213 V CA 1.581 63.576 62.300 -0.509 0.000 1.065 213 V CB -0.339 31.097 31.823 -0.644 0.000 0.681 213 V HN 0.600 nan 8.190 nan 0.000 0.462 214 N N -1.765 116.692 118.700 -0.406 0.000 2.463 214 N HA 0.169 4.814 4.740 -0.158 0.000 0.183 214 N C 0.231 175.235 175.510 -0.844 0.000 1.064 214 N CA 0.413 53.117 53.050 -0.576 0.000 0.879 214 N CB 0.587 38.761 38.487 -0.521 0.000 1.148 214 N HN 0.389 nan 8.380 nan 0.000 0.451 215 F N 0.399 120.053 119.950 -0.494 0.000 2.639 215 F HA 0.449 4.881 4.527 -0.159 0.000 0.339 215 F C 1.330 176.895 175.800 -0.391 0.000 1.071 215 F CA -0.812 56.907 58.000 -0.468 0.000 0.994 215 F CB 1.846 40.521 39.000 -0.541 0.000 1.341 215 F HN -0.419 nan 8.300 nan 0.000 0.498 216 K N -0.045 120.254 120.400 -0.168 0.000 2.402 216 K HA 0.254 4.478 4.320 -0.158 0.000 0.204 216 K C 0.243 176.952 176.600 0.181 0.000 1.056 216 K CA -0.064 56.144 56.287 -0.132 0.000 1.069 216 K CB 1.183 33.419 32.500 -0.439 0.000 0.888 216 K HN 0.701 nan 8.250 nan 0.000 0.546 217 G N 0.874 109.794 108.800 0.201 0.000 2.335 217 G HA2 0.350 4.215 3.960 -0.158 0.000 0.314 217 G HA3 0.350 4.215 3.960 -0.158 0.000 0.314 217 G C -0.883 173.667 174.900 -0.584 0.000 1.129 217 G CA 0.012 45.158 45.100 0.077 0.000 0.912 217 G HN -0.080 nan 8.290 nan 0.000 0.443 218 T N 0.690 114.905 114.554 -0.564 0.000 2.932 218 T HA 0.374 4.629 4.350 -0.158 0.000 0.318 218 T C -0.720 173.991 174.700 0.019 0.000 1.265 218 T CA -0.497 61.413 62.100 -0.316 0.000 1.036 218 T CB 1.993 70.816 68.868 -0.075 0.000 1.209 218 T HN 0.261 nan 8.240 nan 0.000 0.484 219 D N 1.149 121.670 120.400 0.202 0.000 2.398 219 D HA 0.237 4.782 4.640 -0.158 0.000 0.210 219 D C 0.093 176.483 176.300 0.149 0.000 1.094 219 D CA 0.279 54.419 54.000 0.233 0.000 0.839 219 D CB 0.645 41.630 40.800 0.307 0.000 0.963 219 D HN 0.456 nan 8.370 nan 0.000 0.506 220 T N 0.913 115.480 114.554 0.021 0.000 3.145 220 T HA 0.089 4.344 4.350 -0.158 0.000 0.348 220 T C 1.683 176.267 174.700 -0.193 0.000 1.299 220 T CA -0.243 61.724 62.100 -0.223 0.000 1.037 220 T CB 1.184 69.820 68.868 -0.386 0.000 1.122 220 T HN -0.036 nan 8.240 nan 0.000 0.600 221 V N 2.376 122.249 119.914 -0.069 0.000 2.568 221 V HA -0.171 3.854 4.120 -0.158 0.000 0.253 221 V C 2.451 178.502 176.094 -0.071 0.000 1.072 221 V CA 2.236 64.518 62.300 -0.029 0.000 1.084 221 V CB -0.982 30.869 31.823 0.047 0.000 0.676 221 V HN 0.788 nan 8.190 nan 0.000 0.469 222 A N 0.843 123.577 122.820 -0.143 0.000 1.948 222 A HA -0.055 4.170 4.320 -0.158 0.000 0.220 222 A C 2.446 179.962 177.584 -0.114 0.000 1.177 222 A CA 2.032 54.001 52.037 -0.113 0.000 0.636 222 A CB -1.616 17.283 19.000 -0.168 0.000 0.815 222 A HN 0.850 nan 8.150 nan 0.000 0.449 223 G N 0.012 108.717 108.800 -0.158 0.000 2.450 223 G HA2 -0.185 3.680 3.960 -0.158 0.000 0.220 223 G HA3 -0.185 3.680 3.960 -0.158 0.000 0.220 223 G C 1.369 176.185 174.900 -0.141 0.000 1.130 223 G CA 1.119 46.133 45.100 -0.145 0.000 0.760 223 G HN 0.395 nan 8.290 nan 0.000 0.557 224 I N 1.845 122.349 120.570 -0.110 0.000 2.142 224 I HA -0.141 3.934 4.170 -0.158 0.000 0.240 224 I C 3.277 179.349 176.117 -0.075 0.000 1.078 224 I CA 1.305 62.546 61.300 -0.099 0.000 1.343 224 I CB -1.449 36.520 38.000 -0.051 0.000 1.046 224 I HN 0.267 nan 8.210 nan 0.000 0.405 225 A N 0.764 123.561 122.820 -0.039 0.000 1.940 225 A HA -0.210 4.015 4.320 -0.158 0.000 0.219 225 A C 2.465 180.060 177.584 0.018 0.000 1.176 225 A CA 1.552 53.581 52.037 -0.013 0.000 0.631 225 A CB -0.948 18.055 19.000 0.005 0.000 0.814 225 A HN 0.462 nan 8.150 nan 0.000 0.446 226 L N -0.550 120.701 121.223 0.046 0.000 2.046 226 L HA -0.148 4.097 4.340 -0.158 0.000 0.208 226 L C 2.397 179.396 176.870 0.215 0.000 1.077 226 L CA 1.488 56.442 54.840 0.191 0.000 0.747 226 L CB -0.239 41.855 42.059 0.058 0.000 0.896 226 L HN 0.439 nan 8.230 nan 0.000 0.432 227 I N -0.192 120.375 120.570 -0.004 0.000 2.113 227 I HA -0.300 3.775 4.170 -0.158 0.000 0.238 227 I C 2.450 178.587 176.117 0.034 0.000 1.070 227 I CA 1.098 62.337 61.300 -0.102 0.000 1.332 227 I CB -0.389 37.268 38.000 -0.572 0.000 1.044 227 I HN 0.214 nan 8.210 nan 0.000 0.402 228 K N 0.863 121.247 120.400 -0.027 0.000 2.147 228 K HA -0.211 4.013 4.320 -0.158 0.000 0.205 228 K C 1.953 178.535 176.600 -0.030 0.000 1.049 228 K CA 1.323 57.604 56.287 -0.010 0.000 0.936 228 K CB -0.419 32.064 32.500 -0.029 0.000 0.722 228 K HN 0.352 nan 8.250 nan 0.000 0.446 229 K N -0.566 119.785 120.400 -0.082 0.000 2.137 229 K HA -0.047 4.178 4.320 -0.158 0.000 0.202 229 K C 1.276 177.627 176.600 -0.415 0.000 1.052 229 K CA 0.834 56.950 56.287 -0.285 0.000 0.961 229 K CB 0.139 32.370 32.500 -0.448 0.000 0.741 229 K HN 0.026 nan 8.250 nan 0.000 0.452 230 Y N -1.792 118.528 120.300 0.033 0.000 2.481 230 Y HA 0.139 4.594 4.550 -0.159 0.000 0.258 230 Y C 0.773 176.507 175.900 -0.278 0.000 1.103 230 Y CA 0.152 58.197 58.100 -0.092 0.000 1.287 230 Y CB 0.589 39.041 38.460 -0.014 0.000 1.108 230 Y HN 0.037 nan 8.280 nan 0.000 0.529 231 Y N -1.215 119.207 120.300 0.203 0.000 2.784 231 Y HA 0.486 4.940 4.550 -0.159 0.000 0.267 231 Y C 1.342 177.337 175.900 0.158 0.000 1.117 231 Y CA 0.070 58.307 58.100 0.230 0.000 1.231 231 Y CB 0.361 39.045 38.460 0.373 0.000 1.441 231 Y HN -0.131 nan 8.280 nan 0.000 0.469 232 G N 0.842 109.797 108.800 0.260 0.000 2.722 232 G HA2 0.063 3.928 3.960 -0.158 0.000 0.686 232 G HA3 0.063 3.928 3.960 -0.158 0.000 0.686 232 G C -0.572 174.440 174.900 0.187 0.000 1.282 232 G CA -0.037 45.154 45.100 0.152 0.000 0.817 232 G HN 0.323 nan 8.290 nan 0.000 0.605 233 T N 0.661 115.288 114.554 0.122 0.000 2.956 233 T HA 0.582 4.837 4.350 -0.158 0.000 0.312 233 T C 0.751 175.498 174.700 0.078 0.000 1.151 233 T CA -0.564 61.612 62.100 0.127 0.000 1.024 233 T CB 1.154 70.107 68.868 0.142 0.000 1.140 233 T HN 0.496 nan 8.240 nan 0.000 0.473 234 K N 2.276 122.718 120.400 0.071 0.000 2.522 234 K HA 0.125 4.350 4.320 -0.158 0.000 0.194 234 K C 0.219 176.845 176.600 0.043 0.000 1.026 234 K CA -0.055 56.261 56.287 0.048 0.000 1.119 234 K CB 0.101 32.625 32.500 0.041 0.000 0.856 234 K HN 0.551 nan 8.250 nan 0.000 0.513 235 D N 1.200 121.632 120.400 0.053 0.000 2.255 235 D HA 0.107 4.652 4.640 -0.158 0.000 0.249 235 D C -1.775 174.551 176.300 0.043 0.000 1.078 235 D CA -1.747 52.282 54.000 0.048 0.000 0.896 235 D CB 1.974 42.810 40.800 0.059 0.000 1.194 235 D HN -0.132 nan 8.370 nan 0.000 0.429 236 P HA 0.029 nan 4.420 nan 0.000 0.227 236 P C -0.270 177.061 177.300 0.052 0.000 1.161 236 P CA 0.392 63.516 63.100 0.041 0.000 0.788 236 P CB 0.535 32.257 31.700 0.037 0.000 0.822 237 V N 0.284 120.234 119.914 0.062 0.000 2.564 237 V HA 0.174 4.199 4.120 -0.158 0.000 0.259 237 V C -1.676 174.468 176.094 0.084 0.000 0.936 237 V CA -1.131 61.220 62.300 0.086 0.000 0.867 237 V CB 1.227 33.117 31.823 0.112 0.000 1.076 237 V HN 0.007 nan 8.190 nan 0.000 0.476 238 P HA 0.013 nan 4.420 nan 0.000 0.216 238 P C 0.746 178.080 177.300 0.058 0.000 1.153 238 P CA 1.418 64.547 63.100 0.049 0.000 0.848 238 P CB 0.675 32.370 31.700 -0.008 0.000 0.787 239 G N -1.184 107.666 108.800 0.083 0.000 2.682 239 G HA2 0.552 4.417 3.960 -0.158 0.000 0.300 239 G HA3 0.552 4.417 3.960 -0.158 0.000 0.300 239 G C -1.825 173.215 174.900 0.232 0.000 1.391 239 G CA -0.616 44.562 45.100 0.131 0.000 0.990 239 G HN 0.250 nan 8.290 nan 0.000 0.501 240 Y N 0.047 120.414 120.300 0.112 0.000 2.693 240 Y HA 0.871 5.326 4.550 -0.158 0.000 0.331 240 Y C -0.224 175.786 175.900 0.184 0.000 1.092 240 Y CA -0.981 57.205 58.100 0.144 0.000 1.131 240 Y CB 2.251 40.825 38.460 0.190 0.000 1.318 240 Y HN 0.837 nan 8.280 nan 0.000 0.510 241 S N 0.417 115.703 115.700 -0.690 0.000 2.615 241 S HA 0.672 5.047 4.470 -0.158 0.000 0.268 241 S C -1.779 172.560 174.600 -0.436 0.000 1.146 241 S CA -0.172 57.633 58.200 -0.658 0.000 0.818 241 S CB 1.105 64.210 63.200 -0.158 0.000 1.111 241 S HN 1.517 nan 8.310 nan 0.000 0.465 242 V N 0.204 119.923 119.914 -0.325 0.000 3.074 242 V HA 0.854 4.879 4.120 -0.158 0.000 0.314 242 V C -2.918 173.022 176.094 -0.257 0.000 1.117 242 V CA -2.420 59.759 62.300 -0.201 0.000 1.014 242 V CB 0.663 32.404 31.823 -0.136 0.000 1.057 242 V HN 0.724 nan 8.190 nan 0.000 0.438 243 P HA 0.559 nan 4.420 nan 0.000 0.266 243 P C -0.590 176.419 177.300 -0.485 0.000 1.195 243 P CA 0.496 63.253 63.100 -0.572 0.000 0.768 243 P CB 0.708 31.716 31.700 -1.154 0.000 0.838 244 A N 1.803 124.374 122.820 -0.416 0.000 2.589 244 A HA 0.718 4.943 4.320 -0.158 0.000 0.296 244 A C -1.010 176.434 177.584 -0.234 0.000 1.062 244 A CA -0.483 51.367 52.037 -0.311 0.000 0.686 244 A CB 1.372 20.196 19.000 -0.293 0.000 1.282 244 A HN 0.528 nan 8.150 nan 0.000 0.404 245 A N 0.921 123.632 122.820 -0.181 0.000 2.264 245 A HA 0.802 5.027 4.320 -0.158 0.000 0.304 245 A C 0.090 177.572 177.584 -0.170 0.000 1.100 245 A CA 0.132 52.105 52.037 -0.107 0.000 0.839 245 A CB 0.436 19.416 19.000 -0.034 0.000 1.121 245 A HN 1.116 nan 8.150 nan 0.000 0.496 246 E N -0.564 119.555 120.200 -0.134 0.000 2.404 246 E HA 0.422 4.676 4.350 -0.158 0.000 0.264 246 E C -0.238 176.258 176.600 -0.174 0.000 0.946 246 E CA -0.829 55.442 56.400 -0.215 0.000 0.806 246 E CB 0.402 30.020 29.700 -0.136 0.000 1.334 246 E HN 0.603 nan 8.360 nan 0.000 0.429 247 H N 0.316 119.368 119.070 -0.031 0.000 2.387 247 H HA -0.136 4.325 4.556 -0.159 0.000 0.299 247 H C 2.239 177.576 175.328 0.015 0.000 1.099 247 H CA 2.251 58.284 56.048 -0.025 0.000 1.315 247 H CB -0.091 29.638 29.762 -0.056 0.000 1.380 247 H HN 0.658 nan 8.280 nan 0.000 0.513 248 S N 0.612 116.387 115.700 0.125 0.000 2.368 248 S HA -0.156 4.219 4.470 -0.158 0.000 0.225 248 S C 2.329 177.011 174.600 0.136 0.000 1.030 248 S CA 1.834 60.097 58.200 0.105 0.000 0.999 248 S CB -0.803 62.437 63.200 0.066 0.000 0.844 248 S HN 0.590 nan 8.310 nan 0.000 0.459 249 T N -0.389 114.246 114.554 0.135 0.000 2.995 249 T HA 0.165 4.420 4.350 -0.158 0.000 0.269 249 T C 1.706 176.606 174.700 0.333 0.000 1.091 249 T CA 0.583 62.814 62.100 0.219 0.000 1.128 249 T CB -0.377 68.606 68.868 0.192 0.000 0.891 249 T HN 0.313 nan 8.240 nan 0.000 0.492 250 I N 2.823 123.536 120.570 0.239 0.000 2.385 250 I HA -0.002 4.072 4.170 -0.158 0.000 0.244 250 I C 2.989 179.294 176.117 0.314 0.000 1.089 250 I CA 1.730 63.172 61.300 0.238 0.000 1.410 250 I CB -1.679 36.429 38.000 0.180 0.000 1.117 250 I HN 0.471 nan 8.210 nan 0.000 0.429 251 T N -0.104 114.593 114.554 0.239 0.000 2.977 251 T HA -0.022 4.233 4.350 -0.158 0.000 0.271 251 T C 1.934 176.789 174.700 0.259 0.000 1.105 251 T CA 0.999 63.251 62.100 0.253 0.000 1.116 251 T CB -0.438 68.521 68.868 0.153 0.000 0.878 251 T HN 0.243 nan 8.240 nan 0.000 0.509 252 A N 0.661 123.632 122.820 0.251 0.000 2.019 252 A HA 0.037 4.262 4.320 -0.158 0.000 0.219 252 A C 1.906 179.542 177.584 0.087 0.000 1.164 252 A CA 1.021 53.136 52.037 0.130 0.000 0.644 252 A CB -1.192 17.844 19.000 0.060 0.000 0.805 252 A HN 0.731 nan 8.150 nan 0.000 0.449 253 W N -0.662 120.671 121.300 0.056 0.000 2.465 253 W HA 0.339 4.903 4.660 -0.159 0.000 0.268 253 W C 1.305 177.892 176.519 0.113 0.000 1.242 253 W CA 1.341 58.716 57.345 0.050 0.000 1.248 253 W CB -0.444 29.049 29.460 0.055 0.000 1.118 253 W HN 0.676 nan 8.180 nan 0.000 0.587 254 G N -0.163 108.822 108.800 0.307 0.000 2.770 254 G HA2 -0.232 3.633 3.960 -0.158 0.000 0.686 254 G HA3 -0.232 3.633 3.960 -0.158 0.000 0.686 254 G C 0.418 175.396 174.900 0.129 0.000 1.180 254 G CA -0.230 44.997 45.100 0.212 0.000 0.767 254 G HN 0.080 nan 8.290 nan 0.000 0.646 255 K N -0.137 120.238 120.400 -0.042 0.000 2.113 255 K HA -0.145 4.080 4.320 -0.158 0.000 0.208 255 K C 1.445 177.781 176.600 -0.441 0.000 1.047 255 K CA 1.989 58.023 56.287 -0.423 0.000 0.928 255 K CB -0.078 32.072 32.500 -0.583 0.000 0.716 255 K HN 0.511 nan 8.250 nan 0.000 0.446 256 D N -0.352 119.821 120.400 -0.378 0.000 2.363 256 D HA -0.066 4.479 4.640 -0.158 0.000 0.226 256 D C 0.462 176.395 176.300 -0.611 0.000 1.020 256 D CA 0.692 54.394 54.000 -0.497 0.000 0.892 256 D CB 0.179 40.654 40.800 -0.541 0.000 0.900 256 D HN 0.372 nan 8.370 nan 0.000 0.531 257 H N -0.202 118.834 119.070 -0.057 0.000 2.567 257 H HA 0.116 4.577 4.556 -0.159 0.000 0.267 257 H C 1.408 176.678 175.328 -0.096 0.000 1.148 257 H CA -0.149 55.894 56.048 -0.010 0.000 1.031 257 H CB 0.561 30.413 29.762 0.149 0.000 1.691 257 H HN 0.283 nan 8.280 nan 0.000 0.588 258 E N 1.928 122.044 120.200 -0.140 0.000 2.118 258 E HA -0.187 4.068 4.350 -0.158 0.000 0.195 258 E C 2.136 178.309 176.600 -0.712 0.000 0.992 258 E CA 1.021 57.203 56.400 -0.362 0.000 0.804 258 E CB 0.310 29.796 29.700 -0.356 0.000 0.741 258 E HN 0.262 nan 8.360 nan 0.000 0.458 259 K N 0.331 120.416 120.400 -0.524 0.000 2.057 259 K HA -0.191 4.033 4.320 -0.158 0.000 0.207 259 K C 1.552 177.970 176.600 -0.304 0.000 1.049 259 K CA 1.791 57.800 56.287 -0.463 0.000 0.931 259 K CB -0.041 32.308 32.500 -0.251 0.000 0.714 259 K HN 0.143 nan 8.250 nan 0.000 0.440 260 D N 0.572 120.849 120.400 -0.205 0.000 2.117 260 D HA -0.156 4.389 4.640 -0.158 0.000 0.197 260 D C 1.836 177.743 176.300 -0.655 0.000 0.987 260 D CA 1.362 55.239 54.000 -0.204 0.000 0.829 260 D CB -0.208 40.630 40.800 0.062 0.000 0.961 260 D HN 0.364 nan 8.370 nan 0.000 0.460 261 A N 0.933 123.164 122.820 -0.981 0.000 1.883 261 A HA -0.190 4.035 4.320 -0.158 0.000 0.217 261 A C 2.061 179.384 177.584 -0.435 0.000 1.186 261 A CA 1.055 52.214 52.037 -1.463 0.000 0.624 261 A CB -0.866 17.486 19.000 -1.081 0.000 0.822 261 A HN 0.069 nan 8.150 nan 0.000 0.444 262 F N -0.009 119.681 119.950 -0.433 0.000 2.069 262 F HA -0.142 4.290 4.527 -0.159 0.000 0.298 262 F C 2.409 178.154 175.800 -0.092 0.000 1.113 262 F CA 1.313 59.157 58.000 -0.259 0.000 1.214 262 F CB -1.155 37.447 39.000 -0.663 0.000 0.978 262 F HN 0.507 nan 8.300 nan 0.000 0.474 263 E N -0.954 119.284 120.200 0.062 0.000 2.077 263 E HA -0.268 3.986 4.350 -0.158 0.000 0.193 263 E C 2.433 179.064 176.600 0.052 0.000 0.989 263 E CA 1.322 57.759 56.400 0.062 0.000 0.800 263 E CB -0.430 29.287 29.700 0.028 0.000 0.746 263 E HN 0.464 nan 8.360 nan 0.000 0.452 264 H N 0.688 119.694 119.070 -0.106 0.000 2.321 264 H HA -0.117 4.344 4.556 -0.159 0.000 0.300 264 H C 2.156 177.497 175.328 0.021 0.000 1.087 264 H CA 1.886 57.908 56.048 -0.042 0.000 1.319 264 H CB -0.081 29.628 29.762 -0.089 0.000 1.379 264 H HN 0.265 nan 8.280 nan 0.000 0.501 265 I N 1.040 121.690 120.570 0.132 0.000 2.179 265 I HA -0.243 3.832 4.170 -0.158 0.000 0.242 265 I C 2.883 179.107 176.117 0.178 0.000 1.088 265 I CA 1.358 62.779 61.300 0.201 0.000 1.357 265 I CB -0.291 37.860 38.000 0.251 0.000 1.051 265 I HN 0.174 nan 8.210 nan 0.000 0.409 266 V N -1.258 118.744 119.914 0.146 0.000 2.626 266 V HA -0.189 3.835 4.120 -0.158 0.000 0.252 266 V C 2.419 178.534 176.094 0.034 0.000 1.067 266 V CA 2.080 64.446 62.300 0.110 0.000 1.081 266 V CB -1.708 30.187 31.823 0.120 0.000 0.686 266 V HN 0.604 nan 8.190 nan 0.000 0.468 267 T N -3.335 111.200 114.554 -0.032 0.000 2.978 267 T HA -0.089 4.166 4.350 -0.158 0.000 0.262 267 T C 1.963 176.554 174.700 -0.181 0.000 1.063 267 T CA 0.929 62.976 62.100 -0.089 0.000 1.140 267 T CB -0.318 68.495 68.868 -0.091 0.000 0.886 267 T HN 0.436 nan 8.240 nan 0.000 0.470 268 Q N 0.537 120.147 119.800 -0.317 0.000 2.119 268 Q HA 0.092 4.337 4.340 -0.158 0.000 0.201 268 Q C 0.290 175.878 176.000 -0.686 0.000 0.972 268 Q CA 0.977 56.438 55.803 -0.570 0.000 0.847 268 Q CB -0.241 28.015 28.738 -0.802 0.000 0.903 268 Q HN 0.678 nan 8.270 nan 0.000 0.433 269 F N 0.424 120.339 119.950 -0.057 0.000 2.798 269 F HA 0.180 4.612 4.527 -0.158 0.000 0.333 269 F C 1.395 177.167 175.800 -0.046 0.000 1.324 269 F CA -0.387 57.588 58.000 -0.042 0.000 1.183 269 F CB 0.117 39.093 39.000 -0.040 0.000 1.132 269 F HN -0.080 nan 8.300 nan 0.000 0.521 270 S N -0.967 114.750 115.700 0.029 0.000 2.423 270 S HA -0.146 4.229 4.470 -0.158 0.000 0.231 270 S C 1.609 176.221 174.600 0.021 0.000 1.014 270 S CA 1.229 59.436 58.200 0.012 0.000 0.965 270 S CB -0.399 62.787 63.200 -0.023 0.000 0.785 270 S HN 0.374 nan 8.310 nan 0.000 0.495 271 S N 0.400 116.122 115.700 0.036 0.000 2.602 271 S HA 0.537 4.912 4.470 -0.158 0.000 0.240 271 S C 0.144 174.770 174.600 0.043 0.000 0.992 271 S CA -0.138 58.080 58.200 0.031 0.000 0.971 271 S CB -0.044 63.169 63.200 0.021 0.000 0.855 271 S HN 0.760 nan 8.310 nan 0.000 0.481 272 V N -3.393 116.561 119.914 0.067 0.000 3.078 272 V HA 0.742 4.767 4.120 -0.158 0.000 0.311 272 V C -3.412 172.693 176.094 0.019 0.000 1.138 272 V CA -3.104 59.227 62.300 0.053 0.000 1.007 272 V CB 1.089 32.963 31.823 0.086 0.000 1.045 272 V HN -0.117 nan 8.190 nan 0.000 0.432 273 P HA 0.306 nan 4.420 nan 0.000 0.266 273 P C -0.909 176.331 177.300 -0.101 0.000 1.195 273 P CA 0.222 63.290 63.100 -0.053 0.000 0.768 273 P CB 0.905 32.583 31.700 -0.036 0.000 0.838 274 V N 2.656 122.487 119.914 -0.138 0.000 2.668 274 V HA 0.414 4.439 4.120 -0.158 0.000 0.304 274 V C -0.736 175.221 176.094 -0.228 0.000 1.071 274 V CA -0.472 61.708 62.300 -0.200 0.000 0.894 274 V CB 1.951 33.699 31.823 -0.125 0.000 1.008 274 V HN 0.520 nan 8.190 nan 0.000 0.425 275 S N 5.662 121.213 115.700 -0.247 0.000 2.475 275 S HA 0.725 5.100 4.470 -0.158 0.000 0.281 275 S C -0.835 173.626 174.600 -0.232 0.000 1.198 275 S CA -0.403 57.653 58.200 -0.241 0.000 1.063 275 S CB 1.129 64.195 63.200 -0.223 0.000 0.972 275 S HN 0.806 nan 8.310 nan 0.000 0.486 276 V N 6.248 126.017 119.914 -0.241 0.000 2.349 276 V HA 0.348 4.373 4.120 -0.158 0.000 0.284 276 V C 0.209 176.206 176.094 -0.162 0.000 1.014 276 V CA -0.896 61.289 62.300 -0.192 0.000 0.826 276 V CB 1.405 33.123 31.823 -0.176 0.000 1.009 276 V HN 0.782 nan 8.190 nan 0.000 0.431 277 V N 5.235 125.057 119.914 -0.155 0.000 2.557 277 V HA 0.097 4.122 4.120 -0.158 0.000 0.301 277 V C 1.093 177.189 176.094 0.004 0.000 1.026 277 V CA 1.217 63.431 62.300 -0.143 0.000 1.137 277 V CB 1.601 33.221 31.823 -0.338 0.000 0.917 277 V HN 1.021 nan 8.190 nan 0.000 0.484 278 S N 3.594 119.339 115.700 0.075 0.000 2.730 278 S HA 0.155 4.530 4.470 -0.158 0.000 0.244 278 S C 0.669 175.369 174.600 0.167 0.000 1.022 278 S CA 0.107 58.458 58.200 0.252 0.000 1.014 278 S CB 0.046 63.454 63.200 0.347 0.000 0.963 278 S HN 1.006 nan 8.310 nan 0.000 0.540 279 D N 0.646 121.100 120.400 0.091 0.000 2.368 279 D HA 0.191 4.736 4.640 -0.158 0.000 0.218 279 D C 0.957 177.242 176.300 -0.025 0.000 1.112 279 D CA 0.003 54.015 54.000 0.021 0.000 0.834 279 D CB -0.123 40.676 40.800 -0.000 0.000 0.953 279 D HN 0.023 nan 8.370 nan 0.000 0.505 280 S N -0.062 115.600 115.700 -0.063 0.000 2.380 280 S HA -0.187 4.188 4.470 -0.158 0.000 0.229 280 S C 0.766 174.978 174.600 -0.646 0.000 1.043 280 S CA 1.494 59.451 58.200 -0.405 0.000 1.038 280 S CB -0.212 62.593 63.200 -0.659 0.000 0.872 280 S HN 0.480 nan 8.310 nan 0.000 0.456 281 Y N -0.761 119.544 120.300 0.009 0.000 2.769 281 Y HA 0.420 4.875 4.550 -0.158 0.000 0.266 281 Y C 0.250 176.138 175.900 -0.020 0.000 1.091 281 Y CA -0.537 57.552 58.100 -0.018 0.000 1.272 281 Y CB 0.607 39.045 38.460 -0.037 0.000 1.469 281 Y HN 0.050 nan 8.280 nan 0.000 0.475 282 D N 0.045 120.520 120.400 0.126 0.000 2.318 282 D HA 0.117 4.662 4.640 -0.158 0.000 0.233 282 D C 0.426 176.723 176.300 -0.004 0.000 1.348 282 D CA -0.121 53.911 54.000 0.053 0.000 0.983 282 D CB 1.023 41.881 40.800 0.097 0.000 1.416 282 D HN 0.157 nan 8.370 nan 0.000 0.558 283 I N 3.990 124.467 120.570 -0.156 0.000 2.194 283 I HA -0.260 3.815 4.170 -0.158 0.000 0.246 283 I C 1.141 177.175 176.117 -0.138 0.000 1.093 283 I CA 1.845 63.026 61.300 -0.199 0.000 1.355 283 I CB -0.256 37.497 38.000 -0.413 0.000 1.046 283 I HN 0.385 nan 8.210 nan 0.000 0.413 284 Y N 0.480 120.840 120.300 0.101 0.000 2.242 284 Y HA -0.183 4.272 4.550 -0.158 0.000 0.291 284 Y C 2.574 178.534 175.900 0.100 0.000 1.137 284 Y CA 1.528 59.685 58.100 0.095 0.000 1.181 284 Y CB -1.494 37.009 38.460 0.071 0.000 0.989 284 Y HN 0.384 nan 8.280 nan 0.000 0.527 285 N N 0.633 119.454 118.700 0.201 0.000 2.216 285 N HA -0.151 4.494 4.740 -0.158 0.000 0.183 285 N C 1.940 177.517 175.510 0.112 0.000 1.017 285 N CA 1.147 54.276 53.050 0.132 0.000 0.861 285 N CB -0.079 38.458 38.487 0.083 0.000 0.986 285 N HN 0.334 nan 8.380 nan 0.000 0.428 286 A N 0.860 123.751 122.820 0.119 0.000 1.877 286 A HA -0.114 4.111 4.320 -0.158 0.000 0.216 286 A C 2.833 180.572 177.584 0.257 0.000 1.186 286 A CA 1.345 53.459 52.037 0.128 0.000 0.620 286 A CB -1.058 18.082 19.000 0.233 0.000 0.822 286 A HN 0.563 nan 8.150 nan 0.000 0.443 287 C N -1.136 118.369 119.300 0.342 0.000 2.436 287 C HA -0.067 4.298 4.460 -0.158 0.000 0.277 287 C C 2.736 177.939 174.990 0.356 0.000 1.241 287 C CA 1.286 60.561 59.018 0.429 0.000 1.721 287 C CB -1.070 26.861 27.740 0.317 0.000 2.043 287 C HN 0.790 nan 8.230 nan 0.000 0.472 288 E N 0.421 120.773 120.200 0.254 0.000 2.072 288 E HA -0.148 4.107 4.350 -0.158 0.000 0.190 288 E C 2.109 178.794 176.600 0.142 0.000 0.982 288 E CA 0.974 57.487 56.400 0.187 0.000 0.803 288 E CB 0.087 29.877 29.700 0.151 0.000 0.755 288 E HN 0.526 nan 8.360 nan 0.000 0.453 289 K N -0.081 120.390 120.400 0.119 0.000 2.141 289 K HA 0.088 4.312 4.320 -0.158 0.000 0.202 289 K C 2.287 178.924 176.600 0.061 0.000 1.045 289 K CA 0.470 56.799 56.287 0.070 0.000 0.971 289 K CB 0.078 32.599 32.500 0.034 0.000 0.795 289 K HN 0.216 nan 8.250 nan 0.000 0.459 290 I N -0.585 120.004 120.570 0.032 0.000 2.188 290 I HA -0.177 3.898 4.170 -0.158 0.000 0.237 290 I C 2.282 178.459 176.117 0.101 0.000 1.073 290 I CA 1.385 62.658 61.300 -0.045 0.000 1.359 290 I CB -0.399 37.442 38.000 -0.265 0.000 1.083 290 I HN 0.184 nan 8.210 nan 0.000 0.412 291 W N 0.928 122.378 121.300 0.249 0.000 2.409 291 W HA -0.015 4.550 4.660 -0.159 0.000 0.299 291 W C 2.552 179.235 176.519 0.274 0.000 1.203 291 W CA 0.670 58.169 57.345 0.256 0.000 1.298 291 W CB -0.552 29.049 29.460 0.235 0.000 1.127 291 W HN 0.115 nan 8.180 nan 0.000 0.528 292 G N -0.252 108.809 108.800 0.435 0.000 2.484 292 G HA2 -0.078 3.787 3.960 -0.158 0.000 0.218 292 G HA3 -0.078 3.787 3.960 -0.158 0.000 0.218 292 G C 1.098 176.006 174.900 0.014 0.000 1.130 292 G CA 0.999 46.192 45.100 0.155 0.000 0.784 292 G HN 0.283 nan 8.290 nan 0.000 0.543 293 E N -0.482 119.772 120.200 0.091 0.000 3.312 293 E HA 0.043 4.297 4.350 -0.158 0.000 0.178 293 E C 1.601 178.264 176.600 0.106 0.000 1.204 293 E CA -0.082 56.353 56.400 0.058 0.000 1.335 293 E CB 0.217 29.940 29.700 0.038 0.000 1.680 293 E HN -0.014 nan 8.360 nan 0.000 0.503 294 D N 1.298 121.758 120.400 0.100 0.000 2.133 294 D HA -0.141 4.403 4.640 -0.158 0.000 0.195 294 D C 1.602 178.043 176.300 0.235 0.000 0.997 294 D CA 1.269 55.342 54.000 0.121 0.000 0.840 294 D CB 0.118 40.950 40.800 0.054 0.000 0.947 294 D HN 0.150 nan 8.370 nan 0.000 0.452 295 L N 0.000 121.347 121.223 0.207 0.000 2.857 295 L HA 0.277 4.522 4.340 -0.158 0.000 0.249 295 L C 2.052 179.012 176.870 0.150 0.000 1.172 295 L CA -0.256 54.673 54.840 0.148 0.000 0.980 295 L CB 0.251 42.418 42.059 0.180 0.000 1.299 295 L HN -0.122 nan 8.230 nan 0.000 0.535 296 R N 0.953 121.605 120.500 0.254 0.000 2.139 296 R HA -0.212 4.033 4.340 -0.158 0.000 0.243 296 R C 2.404 178.810 176.300 0.177 0.000 1.145 296 R CA 1.989 58.229 56.100 0.234 0.000 0.976 296 R CB -0.179 30.171 30.300 0.084 0.000 0.866 296 R HN 0.568 nan 8.270 nan 0.000 0.449 297 H N -0.424 118.695 119.070 0.082 0.000 2.491 297 H HA -0.075 4.386 4.556 -0.158 0.000 0.290 297 H C 1.771 177.118 175.328 0.033 0.000 1.050 297 H CA 0.946 57.018 56.048 0.041 0.000 1.309 297 H CB -0.385 29.395 29.762 0.030 0.000 1.392 297 H HN 0.305 nan 8.280 nan 0.000 0.554 298 L N 0.223 121.205 121.223 -0.402 0.000 2.509 298 L HA -0.003 4.242 4.340 -0.158 0.000 0.222 298 L C 1.878 178.681 176.870 -0.111 0.000 1.123 298 L CA -0.021 54.670 54.840 -0.248 0.000 0.856 298 L CB 0.043 41.947 42.059 -0.257 0.000 0.985 298 L HN 0.161 nan 8.230 nan 0.000 0.456 299 I N -0.481 120.051 120.570 -0.064 0.000 2.512 299 I HA -0.079 3.996 4.170 -0.158 0.000 0.247 299 I C 2.537 178.404 176.117 -0.417 0.000 1.094 299 I CA 1.084 62.320 61.300 -0.107 0.000 1.427 299 I CB -1.039 37.006 38.000 0.075 0.000 1.149 299 I HN 0.087 nan 8.210 nan 0.000 0.438 300 V N 0.068 119.731 119.914 -0.418 0.000 3.186 300 V HA -0.090 3.935 4.120 -0.158 0.000 0.270 300 V C 2.096 177.807 176.094 -0.638 0.000 1.149 300 V CA 1.701 63.455 62.300 -0.910 0.000 1.160 300 V CB -1.447 30.223 31.823 -0.255 0.000 0.758 300 V HN 0.490 nan 8.190 nan 0.000 0.516 301 S N -0.822 114.674 115.700 -0.339 0.000 2.548 301 S HA 0.257 4.631 4.470 -0.158 0.000 0.215 301 S C 0.990 175.506 174.600 -0.141 0.000 0.976 301 S CA -0.516 57.579 58.200 -0.175 0.000 0.908 301 S CB -0.200 62.950 63.200 -0.082 0.000 0.781 301 S HN 0.685 nan 8.310 nan 0.000 0.519 302 R N 2.226 122.613 120.500 -0.188 0.000 2.615 302 R HA 0.452 4.696 4.340 -0.158 0.000 0.270 302 R C 0.406 176.715 176.300 0.016 0.000 1.081 302 R CA 0.126 56.185 56.100 -0.068 0.000 1.154 302 R CB 0.591 30.860 30.300 -0.051 0.000 1.063 302 R HN 0.471 nan 8.270 nan 0.000 0.519 303 S N -0.417 115.302 115.700 0.031 0.000 2.687 303 S HA 0.102 4.477 4.470 -0.158 0.000 0.283 303 S C 0.975 175.610 174.600 0.058 0.000 1.170 303 S CA -0.787 57.444 58.200 0.052 0.000 1.008 303 S CB 1.737 64.953 63.200 0.027 0.000 1.026 303 S HN 0.534 nan 8.310 nan 0.000 0.541 304 T N 1.514 116.098 114.554 0.049 0.000 2.849 304 T HA -0.090 4.165 4.350 -0.158 0.000 0.270 304 T C 1.018 175.712 174.700 -0.010 0.000 1.066 304 T CA 2.052 64.161 62.100 0.015 0.000 1.130 304 T CB -0.439 68.431 68.868 0.004 0.000 0.864 304 T HN 0.764 nan 8.240 nan 0.000 0.481 305 E N 0.570 120.766 120.200 -0.006 0.000 2.478 305 E HA 0.335 4.590 4.350 -0.158 0.000 0.194 305 E C 0.998 177.588 176.600 -0.017 0.000 1.045 305 E CA 0.171 56.559 56.400 -0.019 0.000 0.868 305 E CB 0.345 30.037 29.700 -0.013 0.000 0.885 305 E HN 0.384 nan 8.360 nan 0.000 0.505 306 A N 1.491 124.306 122.820 -0.008 0.000 3.176 306 A HA 0.281 4.506 4.320 -0.158 0.000 0.265 306 A C -2.575 174.996 177.584 -0.022 0.000 0.936 306 A CA -1.183 50.848 52.037 -0.011 0.000 1.033 306 A CB 0.024 19.027 19.000 0.004 0.000 1.158 306 A HN -0.053 nan 8.150 nan 0.000 0.485 307 P HA 0.248 nan 4.420 nan 0.000 0.272 307 P C -0.270 176.955 177.300 -0.124 0.000 1.240 307 P CA -0.165 62.900 63.100 -0.059 0.000 0.791 307 P CB 1.048 32.695 31.700 -0.087 0.000 0.978 308 L N 1.937 123.050 121.223 -0.183 0.000 2.292 308 L HA 0.412 4.657 4.340 -0.158 0.000 0.284 308 L C -0.456 176.204 176.870 -0.350 0.000 1.065 308 L CA -0.238 54.410 54.840 -0.319 0.000 0.806 308 L CB -0.141 41.632 42.059 -0.476 0.000 1.175 308 L HN 0.189 nan 8.230 nan 0.000 0.431 309 I N 6.795 127.158 120.570 -0.345 0.000 2.405 309 I HA 0.323 4.398 4.170 -0.158 0.000 0.280 309 I C -0.244 175.658 176.117 -0.357 0.000 1.027 309 I CA -0.364 60.751 61.300 -0.308 0.000 1.161 309 I CB 0.915 38.781 38.000 -0.224 0.000 1.300 309 I HN 0.543 nan 8.210 nan 0.000 0.463 310 I N 5.952 126.284 120.570 -0.396 0.000 2.496 310 I HA 0.209 4.284 4.170 -0.158 0.000 0.285 310 I C 0.565 176.550 176.117 -0.220 0.000 1.080 310 I CA -0.005 61.080 61.300 -0.359 0.000 1.404 310 I CB 0.600 38.386 38.000 -0.356 0.000 1.403 310 I HN 0.561 nan 8.210 nan 0.000 0.539 311 R N 8.896 129.300 120.500 -0.160 0.000 2.371 311 R HA 0.437 4.682 4.340 -0.158 0.000 0.312 311 R C -2.688 173.571 176.300 -0.068 0.000 0.980 311 R CA -1.578 54.453 56.100 -0.116 0.000 0.867 311 R CB 1.479 31.707 30.300 -0.121 0.000 1.163 311 R HN 0.291 nan 8.270 nan 0.000 0.492 312 P HA 0.194 nan 4.420 nan 0.000 0.279 312 P C -0.894 176.402 177.300 -0.007 0.000 1.252 312 P CA -0.136 62.943 63.100 -0.036 0.000 0.811 312 P CB 1.412 33.083 31.700 -0.048 0.000 1.035 313 D N -0.946 119.464 120.400 0.017 0.000 2.672 313 D HA 0.142 4.687 4.640 -0.158 0.000 0.287 313 D C -0.746 175.584 176.300 0.051 0.000 1.559 313 D CA -0.077 53.957 54.000 0.056 0.000 0.796 313 D CB 0.202 41.067 40.800 0.109 0.000 1.181 313 D HN 0.367 nan 8.370 nan 0.000 0.458 314 S N -1.779 113.933 115.700 0.021 0.000 2.611 314 S HA 0.791 5.166 4.470 -0.158 0.000 0.268 314 S C 0.292 174.903 174.600 0.017 0.000 1.156 314 S CA -0.377 57.831 58.200 0.014 0.000 0.817 314 S CB 1.425 64.620 63.200 -0.008 0.000 1.122 314 S HN 0.694 nan 8.310 nan 0.000 0.466 315 G N 1.317 110.135 108.800 0.031 0.000 2.757 315 G HA2 -0.082 3.783 3.960 -0.158 0.000 0.638 315 G HA3 -0.082 3.783 3.960 -0.158 0.000 0.638 315 G C -0.617 174.318 174.900 0.059 0.000 1.344 315 G CA -0.397 44.735 45.100 0.054 0.000 0.855 315 G HN 1.234 nan 8.290 nan 0.000 0.537 316 N N 1.860 120.602 118.700 0.070 0.000 2.434 316 N HA 0.119 4.764 4.740 -0.158 0.000 0.268 316 N C 0.010 175.561 175.510 0.068 0.000 1.256 316 N CA -0.637 52.451 53.050 0.063 0.000 0.914 316 N CB 1.161 39.685 38.487 0.062 0.000 1.088 316 N HN 0.281 nan 8.380 nan 0.000 0.478 317 P HA -0.236 nan 4.420 nan 0.000 0.216 317 P C 1.589 178.933 177.300 0.073 0.000 1.157 317 P CA 1.018 64.159 63.100 0.069 0.000 0.880 317 P CB 0.319 32.060 31.700 0.069 0.000 0.791 318 L N 0.463 121.724 121.223 0.063 0.000 2.023 318 L HA -0.082 4.163 4.340 -0.158 0.000 0.205 318 L C 1.913 178.821 176.870 0.063 0.000 1.073 318 L CA 2.121 56.998 54.840 0.061 0.000 0.745 318 L CB -1.560 40.527 42.059 0.047 0.000 0.900 318 L HN -0.217 nan 8.230 nan 0.000 0.435 319 D N -0.852 119.588 120.400 0.067 0.000 2.123 319 D HA -0.175 4.370 4.640 -0.158 0.000 0.196 319 D C 2.018 178.378 176.300 0.101 0.000 0.992 319 D CA 1.909 55.953 54.000 0.073 0.000 0.833 319 D CB -0.342 40.501 40.800 0.070 0.000 0.954 319 D HN 0.404 nan 8.370 nan 0.000 0.455 320 T N 0.678 115.309 114.554 0.129 0.000 2.777 320 T HA -0.078 4.177 4.350 -0.158 0.000 0.266 320 T C 2.295 177.072 174.700 0.128 0.000 1.040 320 T CA 0.605 62.821 62.100 0.193 0.000 1.141 320 T CB -0.325 68.622 68.868 0.132 0.000 0.868 320 T HN -0.024 nan 8.240 nan 0.000 0.444 321 V N 1.569 121.514 119.914 0.051 0.000 2.343 321 V HA -0.109 3.916 4.120 -0.158 0.000 0.247 321 V C 2.457 178.504 176.094 -0.078 0.000 1.051 321 V CA 1.432 63.717 62.300 -0.026 0.000 1.036 321 V CB -0.624 31.184 31.823 -0.025 0.000 0.654 321 V HN 0.449 nan 8.190 nan 0.000 0.451 322 L N -0.373 120.835 121.223 -0.025 0.000 2.056 322 L HA -0.180 4.065 4.340 -0.158 0.000 0.207 322 L C 2.538 179.394 176.870 -0.023 0.000 1.078 322 L CA 1.832 56.650 54.840 -0.037 0.000 0.749 322 L CB -0.585 41.506 42.059 0.054 0.000 0.901 322 L HN 0.302 nan 8.230 nan 0.000 0.433 323 K N 0.095 120.512 120.400 0.028 0.000 2.097 323 K HA -0.116 4.109 4.320 -0.158 0.000 0.205 323 K C 2.020 178.664 176.600 0.072 0.000 1.050 323 K CA 0.894 57.193 56.287 0.020 0.000 0.938 323 K CB 0.116 32.568 32.500 -0.080 0.000 0.718 323 K HN 0.016 nan 8.250 nan 0.000 0.442 324 V N 1.632 121.612 119.914 0.109 0.000 2.295 324 V HA -0.254 3.770 4.120 -0.158 0.000 0.246 324 V C 2.242 178.294 176.094 -0.071 0.000 1.049 324 V CA 1.641 63.988 62.300 0.078 0.000 1.024 324 V CB -0.313 31.523 31.823 0.023 0.000 0.648 324 V HN 0.332 nan 8.190 nan 0.000 0.447 325 L N -0.010 121.048 121.223 -0.276 0.000 2.093 325 L HA -0.179 4.066 4.340 -0.158 0.000 0.208 325 L C 2.403 179.087 176.870 -0.311 0.000 1.085 325 L CA 1.870 56.330 54.840 -0.633 0.000 0.755 325 L CB -0.649 40.541 42.059 -1.447 0.000 0.904 325 L HN 0.410 nan 8.230 nan 0.000 0.435 326 D N 0.594 120.974 120.400 -0.034 0.000 2.117 326 D HA -0.184 4.361 4.640 -0.158 0.000 0.197 326 D C 2.158 178.561 176.300 0.172 0.000 0.987 326 D CA 1.372 55.497 54.000 0.209 0.000 0.829 326 D CB 0.032 40.932 40.800 0.167 0.000 0.961 326 D HN 0.258 nan 8.370 nan 0.000 0.460 327 I N 0.036 120.678 120.570 0.120 0.000 2.142 327 I HA -0.246 3.829 4.170 -0.158 0.000 0.240 327 I C 2.440 178.673 176.117 0.194 0.000 1.078 327 I CA 0.724 62.114 61.300 0.149 0.000 1.343 327 I CB -0.234 37.869 38.000 0.172 0.000 1.046 327 I HN 0.095 nan 8.210 nan 0.000 0.405 328 L N 0.344 121.681 121.223 0.191 0.000 2.083 328 L HA -0.123 4.122 4.340 -0.158 0.000 0.209 328 L C 2.651 179.737 176.870 0.360 0.000 1.083 328 L CA 1.416 56.442 54.840 0.309 0.000 0.752 328 L CB -1.184 40.954 42.059 0.132 0.000 0.899 328 L HN 0.329 nan 8.230 nan 0.000 0.433 329 G N 0.063 109.050 108.800 0.311 0.000 2.432 329 G HA2 -0.219 3.646 3.960 -0.158 0.000 0.219 329 G HA3 -0.219 3.646 3.960 -0.158 0.000 0.219 329 G C 1.704 176.767 174.900 0.272 0.000 1.135 329 G CA 0.433 45.772 45.100 0.399 0.000 0.767 329 G HN 0.327 nan 8.290 nan 0.000 0.550 330 K N -0.198 120.332 120.400 0.216 0.000 2.365 330 K HA 0.083 4.308 4.320 -0.158 0.000 0.197 330 K C 1.820 178.472 176.600 0.087 0.000 1.042 330 K CA 0.470 56.839 56.287 0.137 0.000 0.987 330 K CB 0.208 32.777 32.500 0.114 0.000 0.779 330 K HN 0.055 nan 8.250 nan 0.000 0.484 331 K N -0.352 120.100 120.400 0.087 0.000 2.360 331 K HA 0.187 4.412 4.320 -0.158 0.000 0.196 331 K C -0.042 176.346 176.600 -0.354 0.000 1.049 331 K CA 0.366 56.575 56.287 -0.129 0.000 1.049 331 K CB 0.548 32.938 32.500 -0.184 0.000 0.881 331 K HN -0.050 nan 8.250 nan 0.000 0.542 332 F N 1.735 121.763 119.950 0.129 0.000 2.593 332 F HA 0.341 4.773 4.527 -0.158 0.000 0.320 332 F C -2.162 173.709 175.800 0.119 0.000 1.060 332 F CA -2.650 55.434 58.000 0.140 0.000 0.940 332 F CB 1.578 40.666 39.000 0.148 0.000 1.268 332 F HN -0.227 nan 8.300 nan 0.000 0.475 333 P HA 0.147 nan 4.420 nan 0.000 0.271 333 P C -0.906 176.487 177.300 0.156 0.000 1.233 333 P CA 0.164 63.378 63.100 0.190 0.000 0.764 333 P CB 1.107 32.912 31.700 0.174 0.000 0.825 334 V N 4.302 124.293 119.914 0.129 0.000 2.547 334 V HA 0.481 4.506 4.120 -0.158 0.000 0.299 334 V C 0.994 177.117 176.094 0.048 0.000 1.040 334 V CA -0.223 62.142 62.300 0.107 0.000 0.913 334 V CB 1.808 33.707 31.823 0.127 0.000 0.992 334 V HN 0.737 nan 8.190 nan 0.000 0.449 335 T N 0.597 115.170 114.554 0.032 0.000 2.927 335 T HA 0.698 4.952 4.350 -0.158 0.000 0.286 335 T C -0.726 173.968 174.700 -0.010 0.000 1.040 335 T CA -0.772 61.334 62.100 0.010 0.000 1.010 335 T CB 2.249 71.125 68.868 0.013 0.000 1.177 335 T HN 0.686 nan 8.240 nan 0.000 0.546 336 E N 1.304 121.494 120.200 -0.017 0.000 2.191 336 E HA 0.360 4.615 4.350 -0.158 0.000 0.263 336 E C -0.497 176.104 176.600 0.001 0.000 0.881 336 E CA -0.878 55.505 56.400 -0.029 0.000 0.757 336 E CB 0.953 30.617 29.700 -0.059 0.000 1.147 336 E HN 0.744 nan 8.360 nan 0.000 0.414 337 N N 1.740 120.460 118.700 0.032 0.000 2.379 337 N HA -0.040 4.604 4.740 -0.158 0.000 0.260 337 N C 0.816 176.351 175.510 0.042 0.000 1.254 337 N CA 0.199 53.276 53.050 0.046 0.000 0.958 337 N CB 0.687 39.218 38.487 0.074 0.000 1.208 337 N HN 0.385 nan 8.380 nan 0.000 0.532 338 S N -1.375 114.349 115.700 0.040 0.000 2.462 338 S HA -0.124 4.251 4.470 -0.158 0.000 0.243 338 S C 1.087 175.716 174.600 0.048 0.000 1.003 338 S CA 0.720 58.939 58.200 0.032 0.000 0.970 338 S CB -0.291 62.925 63.200 0.027 0.000 0.762 338 S HN 0.506 nan 8.310 nan 0.000 0.510 339 K N 0.662 121.120 120.400 0.096 0.000 2.404 339 K HA 0.285 4.509 4.320 -0.158 0.000 0.194 339 K C 1.392 178.059 176.600 0.111 0.000 1.023 339 K CA 0.545 56.925 56.287 0.155 0.000 1.094 339 K CB -0.185 32.471 32.500 0.259 0.000 0.841 339 K HN 0.591 nan 8.250 nan 0.000 0.523 340 G N 0.861 109.673 108.800 0.019 0.000 2.141 340 G HA2 -0.279 3.586 3.960 -0.158 0.000 0.242 340 G HA3 -0.279 3.586 3.960 -0.158 0.000 0.242 340 G C -0.323 174.403 174.900 -0.290 0.000 0.982 340 G CA -0.062 44.949 45.100 -0.148 0.000 0.662 340 G HN 0.257 nan 8.290 nan 0.000 0.527 341 Y N 0.825 121.101 120.300 -0.041 0.000 2.361 341 Y HA 0.560 5.015 4.550 -0.158 0.000 0.332 341 Y C 1.132 176.980 175.900 -0.086 0.000 1.101 341 Y CA -0.736 57.329 58.100 -0.059 0.000 1.137 341 Y CB 1.013 39.477 38.460 0.007 0.000 1.207 341 Y HN -0.009 nan 8.280 nan 0.000 0.463 342 K N 2.477 122.832 120.400 -0.074 0.000 2.355 342 K HA 0.338 4.563 4.320 -0.158 0.000 0.270 342 K C -1.274 175.379 176.600 0.088 0.000 1.003 342 K CA -0.351 55.835 56.287 -0.168 0.000 0.957 342 K CB 0.628 32.705 32.500 -0.704 0.000 0.939 342 K HN 0.368 nan 8.250 nan 0.000 0.482 343 L N 3.585 124.874 121.223 0.110 0.000 2.438 343 L HA 0.344 4.589 4.340 -0.158 0.000 0.270 343 L C -1.038 175.917 176.870 0.142 0.000 0.972 343 L CA -0.464 54.472 54.840 0.160 0.000 0.831 343 L CB 1.434 43.542 42.059 0.081 0.000 1.273 343 L HN 0.541 nan 8.230 nan 0.000 0.405 344 L N 5.446 126.750 121.223 0.135 0.000 2.476 344 L HA 0.415 4.660 4.340 -0.158 0.000 0.255 344 L C -1.766 175.026 176.870 -0.131 0.000 1.218 344 L CA -1.645 53.207 54.840 0.021 0.000 0.819 344 L CB 0.217 42.231 42.059 -0.074 0.000 1.119 344 L HN 0.534 nan 8.230 nan 0.000 0.485 345 P HA 0.052 nan 4.420 nan 0.000 0.272 345 P C -2.209 174.729 177.300 -0.603 0.000 1.223 345 P CA -1.362 61.429 63.100 -0.515 0.000 0.784 345 P CB 0.108 31.270 31.700 -0.897 0.000 0.923 346 P HA -0.172 nan 4.420 nan 0.000 0.220 346 P C 0.970 178.124 177.300 -0.244 0.000 1.144 346 P CA 1.771 64.713 63.100 -0.264 0.000 0.800 346 P CB -0.489 31.136 31.700 -0.127 0.000 0.772 347 Y N -1.678 118.563 120.300 -0.098 0.000 2.461 347 Y HA 0.556 5.011 4.550 -0.159 0.000 0.277 347 Y C 0.476 176.245 175.900 -0.219 0.000 1.182 347 Y CA -1.387 56.635 58.100 -0.130 0.000 1.276 347 Y CB -0.716 37.686 38.460 -0.096 0.000 1.087 347 Y HN -0.205 nan 8.280 nan 0.000 0.519 348 L N 1.746 122.778 121.223 -0.318 0.000 2.439 348 L HA 0.673 4.918 4.340 -0.158 0.000 0.270 348 L C -1.240 175.441 176.870 -0.315 0.000 0.972 348 L CA -1.048 53.588 54.840 -0.341 0.000 0.836 348 L CB 1.392 43.133 42.059 -0.531 0.000 1.255 348 L HN 0.019 nan 8.230 nan 0.000 0.404 349 R N 2.919 123.247 120.500 -0.287 0.000 2.869 349 R HA 0.846 5.091 4.340 -0.158 0.000 0.263 349 R C -1.594 174.547 176.300 -0.266 0.000 1.066 349 R CA -0.864 55.089 56.100 -0.244 0.000 0.960 349 R CB 2.272 32.456 30.300 -0.192 0.000 1.221 349 R HN 0.399 nan 8.270 nan 0.000 0.474 350 V N 1.415 121.180 119.914 -0.249 0.000 2.789 350 V HA 0.565 4.590 4.120 -0.158 0.000 0.311 350 V C -0.518 175.411 176.094 -0.275 0.000 1.073 350 V CA -0.874 61.270 62.300 -0.259 0.000 0.921 350 V CB 2.551 34.217 31.823 -0.262 0.000 1.009 350 V HN 0.653 nan 8.190 nan 0.000 0.426 351 I N 3.080 123.503 120.570 -0.244 0.000 2.447 351 I HA 0.558 4.633 4.170 -0.158 0.000 0.287 351 I C -0.770 175.227 176.117 -0.201 0.000 1.023 351 I CA -0.586 60.565 61.300 -0.249 0.000 1.083 351 I CB 1.866 39.777 38.000 -0.150 0.000 1.245 351 I HN 0.769 nan 8.210 nan 0.000 0.434 352 Q N 5.690 125.321 119.800 -0.281 0.000 2.390 352 Q HA 0.498 4.743 4.340 -0.158 0.000 0.249 352 Q C -0.014 176.002 176.000 0.027 0.000 0.996 352 Q CA -0.184 55.554 55.803 -0.108 0.000 0.899 352 Q CB 1.500 30.185 28.738 -0.089 0.000 1.216 352 Q HN 0.758 nan 8.270 nan 0.000 0.465 353 G N 3.082 111.944 108.800 0.104 0.000 3.899 353 G HA2 0.196 4.061 3.960 -0.158 0.000 0.293 353 G HA3 0.196 4.061 3.960 -0.158 0.000 0.293 353 G C -0.778 174.246 174.900 0.207 0.000 1.054 353 G CA -0.213 45.023 45.100 0.228 0.000 0.846 353 G HN 0.614 nan 8.290 nan 0.000 0.525 354 D N -1.568 118.911 120.400 0.132 0.000 2.819 354 D HA 0.464 5.008 4.640 -0.158 0.000 0.232 354 D C 1.026 177.378 176.300 0.087 0.000 1.160 354 D CA 0.298 54.361 54.000 0.106 0.000 0.858 354 D CB 1.340 42.190 40.800 0.083 0.000 1.610 354 D HN 0.283 nan 8.370 nan 0.000 0.481 355 G N 1.525 110.368 108.800 0.072 0.000 2.203 355 G HA2 -0.206 3.659 3.960 -0.158 0.000 0.263 355 G HA3 -0.206 3.659 3.960 -0.158 0.000 0.263 355 G C 0.050 174.977 174.900 0.046 0.000 1.012 355 G CA 0.503 45.636 45.100 0.055 0.000 0.749 355 G HN 0.573 nan 8.290 nan 0.000 0.512 356 V N 1.460 121.404 119.914 0.049 0.000 2.407 356 V HA 0.640 4.665 4.120 -0.158 0.000 0.278 356 V C 0.148 176.231 176.094 -0.019 0.000 1.037 356 V CA 0.148 62.456 62.300 0.014 0.000 0.900 356 V CB 1.524 33.373 31.823 0.043 0.000 0.983 356 V HN 0.633 nan 8.190 nan 0.000 0.459 357 D N 3.095 123.470 120.400 -0.041 0.000 2.626 357 D HA 0.285 4.830 4.640 -0.158 0.000 0.278 357 D C 0.679 176.947 176.300 -0.053 0.000 1.211 357 D CA -0.872 53.111 54.000 -0.029 0.000 0.903 357 D CB 1.114 41.919 40.800 0.008 0.000 1.408 357 D HN 0.234 nan 8.370 nan 0.000 0.454 358 I N 0.492 121.052 120.570 -0.017 0.000 2.185 358 I HA -0.288 3.787 4.170 -0.158 0.000 0.246 358 I C 1.168 177.251 176.117 -0.055 0.000 1.088 358 I CA 1.897 63.181 61.300 -0.026 0.000 1.347 358 I CB -0.498 37.524 38.000 0.036 0.000 1.041 358 I HN 0.370 nan 8.210 nan 0.000 0.415 359 N N -0.226 118.453 118.700 -0.034 0.000 2.173 359 N HA -0.120 4.525 4.740 -0.158 0.000 0.184 359 N C 1.935 177.409 175.510 -0.060 0.000 1.025 359 N CA 2.166 55.192 53.050 -0.040 0.000 0.852 359 N CB -0.877 37.602 38.487 -0.013 0.000 0.998 359 N HN 0.586 nan 8.380 nan 0.000 0.427 360 T N -0.022 114.498 114.554 -0.057 0.000 2.867 360 T HA -0.056 4.199 4.350 -0.158 0.000 0.268 360 T C 2.046 176.669 174.700 -0.129 0.000 1.057 360 T CA 0.500 62.563 62.100 -0.063 0.000 1.136 360 T CB -0.456 68.394 68.868 -0.029 0.000 0.874 360 T HN 0.042 nan 8.240 nan 0.000 0.466 361 L N 1.483 122.588 121.223 -0.198 0.000 2.012 361 L HA -0.079 4.166 4.340 -0.158 0.000 0.210 361 L C 2.707 179.370 176.870 -0.345 0.000 1.073 361 L CA 2.261 56.873 54.840 -0.380 0.000 0.748 361 L CB -1.139 40.680 42.059 -0.400 0.000 0.891 361 L HN 0.330 nan 8.230 nan 0.000 0.431 362 Q N 0.046 119.705 119.800 -0.234 0.000 2.084 362 Q HA -0.225 4.020 4.340 -0.158 0.000 0.202 362 Q C 2.010 177.881 176.000 -0.214 0.000 0.978 362 Q CA 2.255 57.926 55.803 -0.220 0.000 0.844 362 Q CB -0.306 28.365 28.738 -0.113 0.000 0.898 362 Q HN 0.705 nan 8.270 nan 0.000 0.426 363 E N -0.176 119.943 120.200 -0.135 0.000 2.072 363 E HA -0.144 4.111 4.350 -0.158 0.000 0.191 363 E C 2.092 178.640 176.600 -0.088 0.000 0.985 363 E CA 1.299 57.649 56.400 -0.084 0.000 0.801 363 E CB -0.193 29.482 29.700 -0.041 0.000 0.750 363 E HN 0.454 nan 8.360 nan 0.000 0.452 364 I N 1.266 121.775 120.570 -0.102 0.000 2.142 364 I HA -0.244 3.831 4.170 -0.158 0.000 0.240 364 I C 2.700 178.777 176.117 -0.067 0.000 1.078 364 I CA 1.111 62.389 61.300 -0.036 0.000 1.343 364 I CB -0.538 37.487 38.000 0.041 0.000 1.046 364 I HN 0.056 nan 8.210 nan 0.000 0.405 365 V N -0.823 118.955 119.914 -0.227 0.000 2.490 365 V HA -0.224 3.801 4.120 -0.158 0.000 0.250 365 V C 2.367 178.220 176.094 -0.402 0.000 1.061 365 V CA 2.058 64.160 62.300 -0.330 0.000 1.064 365 V CB -0.887 30.562 31.823 -0.624 0.000 0.670 365 V HN 0.408 nan 8.190 nan 0.000 0.461 366 E N 2.268 122.207 120.200 -0.435 0.000 2.072 366 E HA 0.092 4.347 4.350 -0.158 0.000 0.191 366 E C 1.554 178.182 176.600 0.048 0.000 0.985 366 E CA 1.036 57.370 56.400 -0.109 0.000 0.801 366 E CB -0.989 28.694 29.700 -0.028 0.000 0.750 366 E HN 0.733 nan 8.360 nan 0.000 0.452 370 Q N 1.376 121.320 119.800 0.240 0.000 2.124 370 Q HA -0.028 4.217 4.340 -0.158 0.000 0.202 370 Q C 0.985 177.075 176.000 0.149 0.000 0.977 370 Q CA 1.198 57.105 55.803 0.173 0.000 0.850 370 Q CB 0.117 28.935 28.738 0.134 0.000 0.901 370 Q HN 0.182 nan 8.270 nan 0.000 0.429 371 K N 0.694 121.213 120.400 0.198 0.000 2.458 371 K HA 0.035 4.260 4.320 -0.158 0.000 0.194 371 K C 0.041 176.673 176.600 0.053 0.000 1.024 371 K CA -0.150 56.242 56.287 0.175 0.000 1.108 371 K CB 0.471 33.172 32.500 0.334 0.000 0.846 371 K HN -0.001 nan 8.250 nan 0.000 0.518 372 K N -0.441 120.030 120.400 0.118 0.000 3.125 372 K HA -0.175 4.050 4.320 -0.158 0.000 0.268 372 K C -1.118 175.505 176.600 0.038 0.000 1.078 372 K CA 0.625 56.938 56.287 0.042 0.000 0.775 372 K CB -1.916 30.428 32.500 -0.259 0.000 1.253 372 K HN 0.255 nan 8.250 nan 0.000 0.486 373 W N 0.674 122.157 121.300 0.305 0.000 2.429 373 W HA 0.338 4.903 4.660 -0.158 0.000 0.314 373 W C 1.025 177.649 176.519 0.175 0.000 1.062 373 W CA -0.576 56.891 57.345 0.203 0.000 1.211 373 W CB 1.449 30.977 29.460 0.114 0.000 1.305 373 W HN 0.043 nan 8.180 nan 0.000 0.476 374 S N 2.432 118.357 115.700 0.375 0.000 2.568 374 S HA 0.017 4.392 4.470 -0.158 0.000 0.282 374 S C 0.930 175.614 174.600 0.140 0.000 1.338 374 S CA -0.230 58.061 58.200 0.151 0.000 1.045 374 S CB 0.501 63.787 63.200 0.144 0.000 0.873 374 S HN 0.421 nan 8.310 nan 0.000 0.516 375 I N 3.858 124.468 120.570 0.068 0.000 3.176 375 I HA 0.005 4.080 4.170 -0.158 0.000 0.275 375 I C 2.051 178.216 176.117 0.079 0.000 1.298 375 I CA 0.946 62.309 61.300 0.104 0.000 1.445 375 I CB -0.763 37.315 38.000 0.131 0.000 1.075 375 I HN 0.747 nan 8.210 nan 0.000 0.482 376 E N 0.329 120.566 120.200 0.062 0.000 2.204 376 E HA -0.181 4.074 4.350 -0.158 0.000 0.195 376 E C 1.718 178.322 176.600 0.006 0.000 0.990 376 E CA 0.784 57.207 56.400 0.038 0.000 0.821 376 E CB -0.126 29.596 29.700 0.036 0.000 0.750 376 E HN 0.530 nan 8.360 nan 0.000 0.477 377 N N 0.263 118.975 118.700 0.020 0.000 2.244 377 N HA -0.065 4.580 4.740 -0.158 0.000 0.183 377 N C 0.130 175.562 175.510 -0.131 0.000 1.016 377 N CA 0.708 53.735 53.050 -0.039 0.000 0.866 377 N CB 0.432 38.923 38.487 0.006 0.000 0.980 377 N HN -0.041 nan 8.380 nan 0.000 0.430 378 V N 0.356 120.183 119.914 -0.144 0.000 2.604 378 V HA 0.378 4.403 4.120 -0.158 0.000 0.305 378 V C -0.068 175.786 176.094 -0.400 0.000 1.043 378 V CA -0.653 61.456 62.300 -0.318 0.000 0.888 378 V CB 2.154 33.739 31.823 -0.396 0.000 0.995 378 V HN -0.084 nan 8.190 nan 0.000 0.429 379 S N 2.470 117.860 115.700 -0.517 0.000 2.638 379 S HA 0.879 5.254 4.470 -0.158 0.000 0.302 379 S C -1.122 173.040 174.600 -0.730 0.000 1.096 379 S CA -0.371 57.596 58.200 -0.387 0.000 0.953 379 S CB 1.580 64.708 63.200 -0.121 0.000 1.107 379 S HN 0.453 nan 8.310 nan 0.000 0.503 380 F N -0.035 119.858 119.950 -0.094 0.000 2.611 380 F HA 0.765 5.197 4.527 -0.159 0.000 0.324 380 F C 0.713 176.347 175.800 -0.277 0.000 1.061 380 F CA -0.757 57.153 58.000 -0.150 0.000 0.954 380 F CB 1.924 40.838 39.000 -0.143 0.000 1.301 380 F HN 0.668 nan 8.300 nan 0.000 0.482 381 G N -0.007 108.692 108.800 -0.169 0.000 2.591 381 G HA2 0.531 4.396 3.960 -0.158 0.000 0.306 381 G HA3 0.531 4.396 3.960 -0.158 0.000 0.306 381 G C -1.850 172.851 174.900 -0.331 0.000 1.334 381 G CA -0.751 43.933 45.100 -0.693 0.000 0.981 381 G HN 0.620 nan 8.290 nan 0.000 0.491 382 S N 0.104 115.587 115.700 -0.361 0.000 2.548 382 S HA 0.761 5.136 4.470 -0.158 0.000 0.276 382 S C 0.617 175.183 174.600 -0.057 0.000 1.129 382 S CA 0.258 58.383 58.200 -0.124 0.000 0.931 382 S CB 1.515 64.632 63.200 -0.138 0.000 1.068 382 S HN 1.142 nan 8.310 nan 0.000 0.480 383 G N 2.845 111.684 108.800 0.064 0.000 2.583 383 G HA2 0.385 4.250 3.960 -0.158 0.000 0.214 383 G HA3 0.385 4.250 3.960 -0.158 0.000 0.214 383 G C 1.306 176.244 174.900 0.065 0.000 2.072 383 G CA 0.468 45.629 45.100 0.102 0.000 0.745 383 G HN 1.013 nan 8.290 nan 0.000 0.762 384 G N 1.105 109.952 108.800 0.078 0.000 2.469 384 G HA2 -0.002 3.863 3.960 -0.158 0.000 0.219 384 G HA3 -0.002 3.863 3.960 -0.158 0.000 0.219 384 G C 2.007 176.948 174.900 0.068 0.000 1.150 384 G CA 2.019 47.163 45.100 0.074 0.000 0.763 384 G HN 0.834 nan 8.290 nan 0.000 0.561 385 A N -0.003 122.849 122.820 0.053 0.000 1.972 385 A HA 0.115 4.340 4.320 -0.158 0.000 0.219 385 A C 2.339 179.947 177.584 0.041 0.000 1.169 385 A CA 1.644 53.711 52.037 0.050 0.000 0.635 385 A CB -0.294 18.727 19.000 0.035 0.000 0.810 385 A HN 0.444 nan 8.150 nan 0.000 0.446 386 L N -0.970 120.258 121.223 0.008 0.000 2.068 386 L HA 0.089 4.334 4.340 -0.158 0.000 0.204 386 L C 1.831 178.702 176.870 0.001 0.000 1.076 386 L CA 1.751 56.572 54.840 -0.031 0.000 0.753 386 L CB -0.112 41.864 42.059 -0.138 0.000 0.910 386 L HN 0.361 nan 8.230 nan 0.000 0.439 387 L N -1.757 119.491 121.223 0.042 0.000 2.731 387 L HA 0.239 4.484 4.340 -0.158 0.000 0.240 387 L C 1.725 178.738 176.870 0.238 0.000 1.120 387 L CA 0.016 54.930 54.840 0.123 0.000 0.913 387 L CB 0.224 42.349 42.059 0.110 0.000 1.213 387 L HN 0.285 nan 8.230 nan 0.000 0.515 388 Q N 0.847 120.748 119.800 0.167 0.000 2.534 388 Q HA 0.072 4.317 4.340 -0.158 0.000 0.252 388 Q C 1.058 177.155 176.000 0.162 0.000 0.850 388 Q CA 0.592 56.492 55.803 0.162 0.000 0.974 388 Q CB 0.565 29.367 28.738 0.106 0.000 1.205 388 Q HN 0.097 nan 8.270 nan 0.000 0.593 389 K N 1.305 121.784 120.400 0.131 0.000 2.737 389 K HA 0.290 4.515 4.320 -0.158 0.000 0.251 389 K C -1.215 175.472 176.600 0.145 0.000 1.280 389 K CA 0.055 56.413 56.287 0.119 0.000 1.219 389 K CB -0.717 31.835 32.500 0.087 0.000 1.587 389 K HN 0.141 nan 8.250 nan 0.000 0.279 390 L N 0.928 122.279 121.223 0.213 0.000 2.472 390 L HA 0.438 4.683 4.340 -0.158 0.000 0.260 390 L C -0.357 176.721 176.870 0.348 0.000 0.963 390 L CA -0.923 54.077 54.840 0.267 0.000 0.829 390 L CB 2.429 44.682 42.059 0.325 0.000 1.348 390 L HN 0.314 nan 8.230 nan 0.000 0.408 391 T N -2.658 111.998 114.554 0.169 0.000 2.901 391 T HA 0.391 4.645 4.350 -0.158 0.000 0.293 391 T C 0.571 174.960 174.700 -0.518 0.000 1.084 391 T CA -0.814 61.172 62.100 -0.191 0.000 1.008 391 T CB 2.256 71.020 68.868 -0.174 0.000 1.170 391 T HN 0.648 nan 8.240 nan 0.000 0.509 392 R N 0.197 119.963 120.500 -1.222 0.000 2.152 392 R HA -0.109 4.136 4.340 -0.158 0.000 0.232 392 R C 1.153 177.245 176.300 -0.347 0.000 1.117 392 R CA 2.176 57.675 56.100 -1.001 0.000 0.981 392 R CB -0.447 29.132 30.300 -1.201 0.000 0.870 392 R HN 0.848 nan 8.270 nan 0.000 0.451 393 D N -0.351 119.886 120.400 -0.272 0.000 2.349 393 D HA -0.121 4.424 4.640 -0.158 0.000 0.224 393 D C 1.647 177.900 176.300 -0.080 0.000 1.029 393 D CA 0.063 53.979 54.000 -0.140 0.000 0.879 393 D CB -0.046 40.685 40.800 -0.114 0.000 0.906 393 D HN 0.218 nan 8.370 nan 0.000 0.528 394 L N -0.283 120.893 121.223 -0.078 0.000 2.056 394 L HA 0.082 4.327 4.340 -0.158 0.000 0.207 394 L C 1.534 178.356 176.870 -0.079 0.000 1.078 394 L CA 1.615 56.415 54.840 -0.068 0.000 0.749 394 L CB -0.064 41.931 42.059 -0.107 0.000 0.901 394 L HN 0.150 nan 8.230 nan 0.000 0.433 395 L N -1.028 120.160 121.223 -0.057 0.000 2.857 395 L HA 0.270 4.515 4.340 -0.158 0.000 0.249 395 L C 0.161 177.022 176.870 -0.015 0.000 1.172 395 L CA -0.123 54.703 54.840 -0.023 0.000 0.980 395 L CB -0.412 41.652 42.059 0.008 0.000 1.299 395 L HN 0.280 nan 8.230 nan 0.000 0.535 396 N N -0.231 118.444 118.700 -0.040 0.000 2.725 396 N HA -0.173 4.472 4.740 -0.158 0.000 0.251 396 N C -0.129 175.315 175.510 -0.110 0.000 1.031 396 N CA -0.152 52.857 53.050 -0.068 0.000 0.720 396 N CB -1.244 37.213 38.487 -0.049 0.000 0.930 396 N HN 0.318 nan 8.380 nan 0.000 0.543 397 C N 0.730 119.977 119.300 -0.087 0.000 2.648 397 C HA 0.421 4.785 4.460 -0.158 0.000 0.415 397 C C 1.129 175.967 174.990 -0.254 0.000 1.366 397 C CA -0.106 58.806 59.018 -0.176 0.000 1.756 397 C CB 0.435 28.317 27.740 0.237 0.000 2.549 397 C HN 0.464 nan 8.230 nan 0.000 0.597 398 S N 1.907 117.287 115.700 -0.535 0.000 2.541 398 S HA 0.743 5.117 4.470 -0.158 0.000 0.271 398 S C -1.427 172.967 174.600 -0.342 0.000 1.133 398 S CA -0.421 57.599 58.200 -0.299 0.000 0.876 398 S CB 1.030 64.092 63.200 -0.229 0.000 1.105 398 S HN 0.576 nan 8.310 nan 0.000 0.470 399 F N 3.928 123.741 119.950 -0.229 0.000 2.477 399 F HA 0.717 5.151 4.527 -0.155 0.000 0.335 399 F C -0.495 175.179 175.800 -0.211 0.000 1.130 399 F CA -0.374 57.514 58.000 -0.187 0.000 0.948 399 F CB 0.968 40.017 39.000 0.082 0.000 1.154 399 F HN 0.387 nan 8.300 nan 0.000 0.439 400 K N 4.712 124.687 120.400 -0.708 0.000 2.508 400 K HA 0.337 4.562 4.320 -0.158 0.000 0.260 400 K C -1.444 174.953 176.600 -0.339 0.000 0.949 400 K CA -0.644 55.410 56.287 -0.388 0.000 0.834 400 K CB 1.827 34.167 32.500 -0.266 0.000 1.365 400 K HN 0.690 nan 8.250 nan 0.000 0.437 401 C N 1.910 121.182 119.300 -0.048 0.000 2.435 401 C HA 0.361 4.726 4.460 -0.158 0.000 0.375 401 C C 1.523 176.642 174.990 0.216 0.000 1.281 401 C CA 0.197 59.270 59.018 0.091 0.000 1.963 401 C CB -0.952 26.884 27.740 0.161 0.000 2.490 401 C HN 0.859 nan 8.230 nan 0.000 0.557 402 S N 3.368 119.277 115.700 0.348 0.000 2.632 402 S HA 0.256 4.631 4.470 -0.158 0.000 0.237 402 S C -0.361 174.475 174.600 0.394 0.000 1.037 402 S CA -0.184 58.246 58.200 0.384 0.000 1.009 402 S CB 0.053 63.496 63.200 0.406 0.000 0.974 402 S HN 0.977 nan 8.310 nan 0.000 0.544 403 Y N 1.088 121.522 120.300 0.222 0.000 2.521 403 Y HA 0.559 5.014 4.550 -0.159 0.000 0.332 403 Y C -1.439 174.529 175.900 0.114 0.000 1.121 403 Y CA -0.972 57.188 58.100 0.100 0.000 1.037 403 Y CB 1.812 40.218 38.460 -0.089 0.000 1.330 403 Y HN 0.355 nan 8.280 nan 0.000 0.452 404 V N 2.261 121.884 119.914 -0.485 0.000 3.159 404 V HA 0.902 4.927 4.120 -0.158 0.000 0.308 404 V C -1.960 173.759 176.094 -0.624 0.000 1.190 404 V CA -1.050 61.024 62.300 -0.377 0.000 1.037 404 V CB 1.655 33.394 31.823 -0.141 0.000 1.060 404 V HN 0.613 nan 8.190 nan 0.000 0.437 405 V N 1.485 121.186 119.914 -0.355 0.000 2.407 405 V HA 0.691 4.716 4.120 -0.158 0.000 0.291 405 V C -0.068 175.925 176.094 -0.168 0.000 1.018 405 V CA 0.032 62.171 62.300 -0.268 0.000 0.842 405 V CB 1.643 33.376 31.823 -0.151 0.000 0.996 405 V HN 1.117 nan 8.190 nan 0.000 0.426 406 T N 3.612 118.081 114.554 -0.142 0.000 2.841 406 T HA 0.397 4.651 4.350 -0.158 0.000 0.285 406 T C 0.336 174.988 174.700 -0.080 0.000 0.991 406 T CA -0.482 61.552 62.100 -0.110 0.000 0.966 406 T CB 0.820 69.630 68.868 -0.097 0.000 0.962 406 T HN 0.790 nan 8.240 nan 0.000 0.438 407 N N 1.625 120.283 118.700 -0.070 0.000 2.735 407 N HA -0.228 4.417 4.740 -0.158 0.000 0.248 407 N C 0.990 176.476 175.510 -0.039 0.000 1.083 407 N CA 0.630 53.651 53.050 -0.049 0.000 0.703 407 N CB -0.894 37.568 38.487 -0.041 0.000 1.005 407 N HN 1.224 nan 8.380 nan 0.000 0.550 408 G N -1.021 107.754 108.800 -0.042 0.000 2.166 408 G HA2 -0.315 3.550 3.960 -0.158 0.000 0.260 408 G HA3 -0.315 3.550 3.960 -0.158 0.000 0.260 408 G C -0.050 174.836 174.900 -0.023 0.000 0.986 408 G CA 0.731 45.816 45.100 -0.026 0.000 0.683 408 G HN 0.399 nan 8.290 nan 0.000 0.527 409 L N 0.403 121.601 121.223 -0.042 0.000 2.341 409 L HA 0.674 4.919 4.340 -0.158 0.000 0.278 409 L C 1.102 177.925 176.870 -0.077 0.000 1.005 409 L CA -0.727 54.093 54.840 -0.034 0.000 0.818 409 L CB 1.900 43.943 42.059 -0.026 0.000 1.259 409 L HN 0.158 nan 8.230 nan 0.000 0.418 410 G N 2.095 110.873 108.800 -0.037 0.000 2.491 410 G HA2 0.441 4.306 3.960 -0.158 0.000 0.242 410 G HA3 0.441 4.306 3.960 -0.158 0.000 0.242 410 G C -0.606 174.223 174.900 -0.118 0.000 1.266 410 G CA -0.136 44.885 45.100 -0.131 0.000 0.844 410 G HN 0.322 nan 8.290 nan 0.000 0.571 411 V N 3.120 122.855 119.914 -0.299 0.000 2.524 411 V HA 0.205 4.230 4.120 -0.158 0.000 0.297 411 V C -0.850 175.256 176.094 0.019 0.000 1.035 411 V CA -1.377 60.870 62.300 -0.088 0.000 0.867 411 V CB 1.741 33.505 31.823 -0.098 0.000 1.004 411 V HN 0.708 nan 8.190 nan 0.000 0.426 412 N N 3.532 122.335 118.700 0.171 0.000 2.420 412 N HA 0.369 5.014 4.740 -0.158 0.000 0.262 412 N C -0.343 175.330 175.510 0.273 0.000 1.144 412 N CA 0.001 53.204 53.050 0.255 0.000 0.952 412 N CB 1.849 40.452 38.487 0.194 0.000 1.081 412 N HN 0.424 nan 8.380 nan 0.000 0.480 413 V N 3.487 123.569 119.914 0.280 0.000 2.713 413 V HA 0.720 4.745 4.120 -0.158 0.000 0.307 413 V C -0.174 176.153 176.094 0.387 0.000 1.052 413 V CA -0.555 61.893 62.300 0.247 0.000 0.967 413 V CB 0.717 32.633 31.823 0.156 0.000 1.019 413 V HN 0.670 nan 8.190 nan 0.000 0.459 414 F N 1.190 121.188 119.950 0.079 0.000 2.829 414 F HA 0.653 5.085 4.527 -0.158 0.000 0.319 414 F C -1.200 174.632 175.800 0.053 0.000 1.153 414 F CA -1.481 56.565 58.000 0.077 0.000 0.912 414 F CB 1.339 40.379 39.000 0.068 0.000 1.292 414 F HN 0.518 nan 8.300 nan 0.000 0.447 415 K N 0.469 120.910 120.400 0.068 0.000 2.281 415 K HA 0.764 4.989 4.320 -0.158 0.000 0.242 415 K C -1.898 174.801 176.600 0.165 0.000 0.971 415 K CA -0.803 55.463 56.287 -0.035 0.000 0.834 415 K CB 2.366 34.867 32.500 0.002 0.000 1.181 415 K HN 0.695 nan 8.250 nan 0.000 0.435 416 D N 1.663 122.119 120.400 0.094 0.000 3.036 416 D HA 0.264 4.809 4.640 -0.158 0.000 0.244 416 D C -2.633 173.712 176.300 0.075 0.000 1.337 416 D CA -1.040 53.050 54.000 0.150 0.000 0.829 416 D CB 0.734 41.703 40.800 0.282 0.000 1.478 416 D HN 0.383 nan 8.370 nan 0.000 0.570 417 P HA -0.006 nan 4.420 nan 0.000 0.263 417 P C 1.186 178.504 177.300 0.030 0.000 1.195 417 P CA -0.310 62.806 63.100 0.027 0.000 0.762 417 P CB 1.327 33.039 31.700 0.020 0.000 0.799 418 V N 3.570 123.498 119.914 0.024 0.000 2.469 418 V HA -0.261 3.764 4.120 -0.158 0.000 0.251 418 V C 1.777 177.883 176.094 0.019 0.000 1.064 418 V CA 2.629 64.943 62.300 0.023 0.000 1.066 418 V CB -0.920 30.913 31.823 0.017 0.000 0.667 418 V HN 0.692 nan 8.190 nan 0.000 0.461 419 A N -1.204 121.625 122.820 0.015 0.000 2.251 419 A HA 0.137 4.362 4.320 -0.158 0.000 0.209 419 A C 0.770 178.362 177.584 0.013 0.000 1.187 419 A CA 0.868 52.912 52.037 0.012 0.000 0.823 419 A CB -0.106 18.899 19.000 0.008 0.000 0.846 419 A HN 0.593 nan 8.150 nan 0.000 0.486 420 D N -1.714 118.697 120.400 0.018 0.000 2.351 420 D HA 0.262 4.807 4.640 -0.158 0.000 0.235 420 D C -2.636 173.679 176.300 0.025 0.000 1.331 420 D CA -1.130 52.880 54.000 0.018 0.000 0.959 420 D CB 1.312 42.120 40.800 0.013 0.000 1.432 420 D HN -0.135 nan 8.370 nan 0.000 0.544 421 P HA -0.001 nan 4.420 nan 0.000 0.225 421 P C 1.090 178.408 177.300 0.029 0.000 1.148 421 P CA 0.510 63.629 63.100 0.031 0.000 0.779 421 P CB 0.362 32.076 31.700 0.024 0.000 0.780 422 N N -0.478 118.235 118.700 0.022 0.000 2.459 422 N HA -0.063 4.582 4.740 -0.158 0.000 0.181 422 N C 1.054 176.576 175.510 0.020 0.000 1.046 422 N CA 0.871 53.932 53.050 0.018 0.000 0.904 422 N CB -0.039 38.455 38.487 0.012 0.000 0.964 422 N HN 0.292 nan 8.380 nan 0.000 0.444 423 K N 0.724 121.139 120.400 0.026 0.000 2.387 423 K HA 0.093 4.318 4.320 -0.158 0.000 0.198 423 K C 0.560 177.192 176.600 0.055 0.000 1.022 423 K CA -0.253 56.051 56.287 0.028 0.000 1.128 423 K CB 0.605 33.118 32.500 0.021 0.000 0.853 423 K HN 0.074 nan 8.250 nan 0.000 0.523 424 R N 1.872 122.413 120.500 0.070 0.000 2.543 424 R HA 0.029 4.274 4.340 -0.158 0.000 0.277 424 R C -0.150 176.225 176.300 0.126 0.000 1.074 424 R CA 0.105 56.274 56.100 0.115 0.000 1.076 424 R CB 0.635 30.993 30.300 0.097 0.000 0.993 424 R HN 0.017 nan 8.270 nan 0.000 0.459 425 S N 2.607 118.425 115.700 0.195 0.000 2.718 425 S HA 0.428 4.803 4.470 -0.158 0.000 0.300 425 S C -0.638 174.092 174.600 0.217 0.000 1.117 425 S CA -1.045 57.291 58.200 0.227 0.000 1.002 425 S CB 1.615 64.959 63.200 0.241 0.000 1.092 425 S HN 0.593 nan 8.310 nan 0.000 0.542 426 K N 0.589 121.119 120.400 0.217 0.000 2.168 426 K HA 0.358 4.582 4.320 -0.158 0.000 0.258 426 K C -0.371 176.269 176.600 0.067 0.000 1.010 426 K CA -0.439 55.852 56.287 0.006 0.000 0.929 426 K CB 0.508 32.843 32.500 -0.276 0.000 0.998 426 K HN 0.503 nan 8.250 nan 0.000 0.479 427 K N 0.668 121.053 120.400 -0.026 0.000 2.207 427 K HA 0.432 4.656 4.320 -0.158 0.000 0.255 427 K C 0.077 176.687 176.600 0.017 0.000 0.941 427 K CA -0.535 55.778 56.287 0.044 0.000 0.825 427 K CB 1.810 34.270 32.500 -0.066 0.000 1.119 427 K HN 0.835 nan 8.250 nan 0.000 0.430 428 G N 1.921 110.786 108.800 0.107 0.000 2.645 428 G HA2 -0.290 3.575 3.960 -0.158 0.000 0.239 428 G HA3 -0.290 3.575 3.960 -0.158 0.000 0.239 428 G C -0.804 173.991 174.900 -0.175 0.000 1.331 428 G CA -0.672 44.442 45.100 0.023 0.000 0.890 428 G HN 0.623 nan 8.290 nan 0.000 0.572 429 R N -0.413 119.788 120.500 -0.499 0.000 2.438 429 R HA 0.513 4.758 4.340 -0.158 0.000 0.287 429 R C 0.345 176.501 176.300 -0.239 0.000 1.077 429 R CA -0.116 55.598 56.100 -0.644 0.000 1.034 429 R CB 0.304 30.115 30.300 -0.815 0.000 0.993 429 R HN 0.439 nan 8.270 nan 0.000 0.459 430 L N 1.076 122.277 121.223 -0.038 0.000 2.322 430 L HA 0.610 4.855 4.340 -0.158 0.000 0.269 430 L C -0.050 176.826 176.870 0.010 0.000 1.012 430 L CA -0.808 54.011 54.840 -0.035 0.000 0.815 430 L CB 2.035 44.028 42.059 -0.110 0.000 1.295 430 L HN 0.728 nan 8.230 nan 0.000 0.438 431 S N 1.026 116.715 115.700 -0.018 0.000 2.537 431 S HA 0.672 5.047 4.470 -0.158 0.000 0.271 431 S C -1.390 173.126 174.600 -0.140 0.000 1.148 431 S CA -0.779 57.390 58.200 -0.052 0.000 0.868 431 S CB 2.062 65.311 63.200 0.081 0.000 1.115 431 S HN 0.458 nan 8.310 nan 0.000 0.461 432 L N 2.239 123.267 121.223 -0.326 0.000 2.313 432 L HA 0.782 5.027 4.340 -0.158 0.000 0.283 432 L C -1.332 175.237 176.870 -0.503 0.000 1.013 432 L CA 0.160 54.852 54.840 -0.247 0.000 0.816 432 L CB 0.922 42.924 42.059 -0.095 0.000 1.236 432 L HN 0.977 nan 8.230 nan 0.000 0.419 433 H N 2.932 121.974 119.070 -0.047 0.000 2.865 433 H HA 0.688 5.149 4.556 -0.158 0.000 0.372 433 H C -0.757 174.511 175.328 -0.099 0.000 1.173 433 H CA -1.035 54.975 56.048 -0.063 0.000 1.147 433 H CB 1.222 30.911 29.762 -0.121 0.000 1.805 433 H HN 0.321 nan 8.280 nan 0.000 0.553 434 R N 1.013 121.521 120.500 0.013 0.000 2.357 434 R HA 0.266 4.511 4.340 -0.158 0.000 0.296 434 R C 0.040 176.359 176.300 0.031 0.000 1.052 434 R CA -0.444 55.554 56.100 -0.169 0.000 0.988 434 R CB 0.729 30.908 30.300 -0.203 0.000 1.025 434 R HN 0.900 nan 8.270 nan 0.000 0.469 435 T N -0.775 113.779 114.554 -0.000 0.000 2.847 435 T HA 0.287 4.542 4.350 -0.158 0.000 0.279 435 T C -1.604 173.123 174.700 0.046 0.000 0.984 435 T CA -1.592 60.595 62.100 0.144 0.000 0.988 435 T CB 1.077 70.016 68.868 0.118 0.000 1.040 435 T HN 0.193 nan 8.240 nan 0.000 0.528 436 P HA 0.062 nan 4.420 nan 0.000 0.216 436 P C 1.244 178.533 177.300 -0.020 0.000 1.150 436 P CA 1.079 64.167 63.100 -0.020 0.000 0.837 436 P CB -0.259 31.415 31.700 -0.044 0.000 0.786 437 A N -1.021 121.795 122.820 -0.008 0.000 2.252 437 A HA 0.415 4.640 4.320 -0.158 0.000 0.207 437 A C 1.560 179.131 177.584 -0.021 0.000 1.194 437 A CA 0.728 52.760 52.037 -0.009 0.000 0.809 437 A CB -1.374 17.628 19.000 0.004 0.000 0.814 437 A HN 0.256 nan 8.150 nan 0.000 0.482 438 G N -0.832 107.940 108.800 -0.046 0.000 2.136 438 G HA2 -0.269 3.596 3.960 -0.158 0.000 0.242 438 G HA3 -0.269 3.596 3.960 -0.158 0.000 0.242 438 G C 0.063 174.879 174.900 -0.140 0.000 0.989 438 G CA 0.424 45.471 45.100 -0.088 0.000 0.682 438 G HN 0.654 nan 8.290 nan 0.000 0.522 439 N N -1.106 117.526 118.700 -0.114 0.000 2.752 439 N HA 0.826 5.471 4.740 -0.158 0.000 0.316 439 N C -0.378 174.965 175.510 -0.279 0.000 1.343 439 N CA -0.566 52.438 53.050 -0.077 0.000 0.875 439 N CB 0.539 39.065 38.487 0.064 0.000 1.120 439 N HN 0.099 nan 8.380 nan 0.000 0.562 440 F N -0.319 119.643 119.950 0.019 0.000 2.546 440 F HA 0.690 5.123 4.527 -0.158 0.000 0.320 440 F C -0.441 175.341 175.800 -0.029 0.000 1.076 440 F CA -0.878 57.121 58.000 -0.001 0.000 0.928 440 F CB 1.786 40.782 39.000 -0.006 0.000 1.189 440 F HN -0.026 nan 8.300 nan 0.000 0.465 441 V N 1.288 121.267 119.914 0.108 0.000 2.851 441 V HA 0.541 4.566 4.120 -0.158 0.000 0.307 441 V C -1.123 174.949 176.094 -0.037 0.000 1.129 441 V CA -0.232 62.054 62.300 -0.024 0.000 0.932 441 V CB 2.415 34.121 31.823 -0.195 0.000 1.024 441 V HN 0.769 nan 8.190 nan 0.000 0.426 442 T N 7.831 122.355 114.554 -0.051 0.000 2.770 442 T HA 0.531 4.785 4.350 -0.158 0.000 0.297 442 T C -0.312 174.333 174.700 -0.092 0.000 0.997 442 T CA -0.127 61.934 62.100 -0.065 0.000 0.949 442 T CB 0.480 69.295 68.868 -0.088 0.000 0.941 442 T HN 0.501 nan 8.240 nan 0.000 0.457 443 L N 4.070 125.255 121.223 -0.063 0.000 2.276 443 L HA 0.418 4.663 4.340 -0.158 0.000 0.286 443 L C 0.801 177.620 176.870 -0.086 0.000 1.061 443 L CA -0.517 54.272 54.840 -0.085 0.000 0.807 443 L CB 0.861 42.870 42.059 -0.082 0.000 1.177 443 L HN 0.578 nan 8.230 nan 0.000 0.429 444 E N 2.096 122.235 120.200 -0.102 0.000 2.267 444 E HA 0.221 4.476 4.350 -0.158 0.000 0.258 444 E C -0.255 176.283 176.600 -0.104 0.000 1.074 444 E CA -0.747 55.583 56.400 -0.116 0.000 0.915 444 E CB 0.717 30.344 29.700 -0.122 0.000 1.186 444 E HN 0.477 nan 8.360 nan 0.000 0.439 445 E N -0.298 119.835 120.200 -0.111 0.000 2.440 445 E HA -0.305 3.950 4.350 -0.158 0.000 0.246 445 E C 0.550 177.075 176.600 -0.125 0.000 1.165 445 E CA 0.198 56.537 56.400 -0.102 0.000 0.726 445 E CB -1.926 27.734 29.700 -0.066 0.000 1.271 445 E HN 0.992 nan 8.360 nan 0.000 0.397 446 G N 0.131 108.830 108.800 -0.170 0.000 2.196 446 G HA2 -0.446 3.419 3.960 -0.158 0.000 0.268 446 G HA3 -0.446 3.419 3.960 -0.158 0.000 0.268 446 G C 0.819 175.667 174.900 -0.087 0.000 0.975 446 G CA 0.978 45.983 45.100 -0.159 0.000 0.648 446 G HN 0.417 nan 8.290 nan 0.000 0.538 447 K N 0.266 120.624 120.400 -0.070 0.000 2.360 447 K HA -0.021 4.204 4.320 -0.158 0.000 0.201 447 K C 2.658 179.233 176.600 -0.040 0.000 1.046 447 K CA 0.869 57.127 56.287 -0.048 0.000 0.940 447 K CB -0.369 32.104 32.500 -0.045 0.000 0.748 447 K HN 0.446 nan 8.250 nan 0.000 0.465 448 G N 1.745 110.529 108.800 -0.026 0.000 2.462 448 G HA2 -0.257 3.608 3.960 -0.158 0.000 0.220 448 G HA3 -0.257 3.608 3.960 -0.158 0.000 0.220 448 G C 0.918 175.820 174.900 0.004 0.000 1.121 448 G CA 0.834 45.937 45.100 0.004 0.000 0.758 448 G HN 0.232 nan 8.290 nan 0.000 0.559 449 D N 0.519 120.917 120.400 -0.004 0.000 2.218 449 D HA -0.059 4.486 4.640 -0.158 0.000 0.204 449 D C 2.509 178.805 176.300 -0.007 0.000 0.976 449 D CA 0.312 54.311 54.000 -0.001 0.000 0.853 449 D CB -0.174 40.615 40.800 -0.018 0.000 0.939 449 D HN 0.327 nan 8.370 nan 0.000 0.481 450 L N 0.639 121.851 121.223 -0.018 0.000 2.265 450 L HA -0.111 4.134 4.340 -0.158 0.000 0.215 450 L C 0.561 177.415 176.870 -0.027 0.000 1.117 450 L CA 0.779 55.607 54.840 -0.021 0.000 0.782 450 L CB -0.409 41.638 42.059 -0.021 0.000 0.914 450 L HN 0.059 nan 8.230 nan 0.000 0.441 451 E N -1.001 119.182 120.200 -0.028 0.000 2.791 451 E HA -0.278 3.977 4.350 -0.158 0.000 0.271 451 E C 0.609 177.165 176.600 -0.074 0.000 1.044 451 E CA 0.894 57.271 56.400 -0.037 0.000 0.814 451 E CB -1.742 27.945 29.700 -0.022 0.000 1.400 451 E HN 0.687 nan 8.360 nan 0.000 0.423 452 E N -0.784 119.369 120.200 -0.079 0.000 2.482 452 E HA -0.027 4.228 4.350 -0.158 0.000 0.196 452 E C 0.461 176.833 176.600 -0.381 0.000 1.047 452 E CA 0.768 57.053 56.400 -0.191 0.000 0.869 452 E CB 0.093 29.689 29.700 -0.175 0.000 0.836 452 E HN 0.355 nan 8.360 nan 0.000 0.520 453 Y N -0.499 119.669 120.300 -0.219 0.000 2.805 453 Y HA 0.472 4.927 4.550 -0.158 0.000 0.321 453 Y C 1.257 177.058 175.900 -0.165 0.000 1.203 453 Y CA -0.873 57.096 58.100 -0.218 0.000 1.165 453 Y CB 0.553 38.793 38.460 -0.366 0.000 1.371 453 Y HN -0.163 nan 8.280 nan 0.000 0.564 454 G N -0.953 107.920 108.800 0.122 0.000 2.514 454 G HA2 0.099 3.964 3.960 -0.158 0.000 0.245 454 G HA3 0.099 3.964 3.960 -0.158 0.000 0.245 454 G C -0.693 174.290 174.900 0.138 0.000 1.488 454 G CA -0.367 44.743 45.100 0.016 0.000 1.063 454 G HN 0.500 nan 8.290 nan 0.000 0.557 455 H N -0.033 119.150 119.070 0.189 0.000 2.629 455 H HA 0.172 4.633 4.556 -0.158 0.000 0.357 455 H C -0.157 175.214 175.328 0.072 0.000 1.121 455 H CA -0.491 55.645 56.048 0.146 0.000 1.406 455 H CB 1.190 30.995 29.762 0.072 0.000 1.456 455 H HN 0.391 nan 8.280 nan 0.000 0.579 456 D N 1.791 122.244 120.400 0.088 0.000 2.488 456 D HA -0.067 4.478 4.640 -0.158 0.000 0.238 456 D C 0.995 177.148 176.300 -0.245 0.000 1.138 456 D CA 0.097 53.908 54.000 -0.315 0.000 0.873 456 D CB 0.712 41.416 40.800 -0.160 0.000 1.183 456 D HN 0.429 nan 8.370 nan 0.000 0.458 457 L N 2.614 123.668 121.223 -0.281 0.000 2.558 457 L HA 0.048 4.293 4.340 -0.158 0.000 0.225 457 L C 0.424 177.116 176.870 -0.297 0.000 1.128 457 L CA -0.238 54.487 54.840 -0.190 0.000 0.868 457 L CB -0.192 41.853 42.059 -0.023 0.000 1.006 457 L HN 0.249 nan 8.230 nan 0.000 0.454 458 L N -0.154 120.902 121.223 -0.278 0.000 2.371 458 L HA 0.253 4.498 4.340 -0.158 0.000 0.272 458 L C 0.161 176.846 176.870 -0.308 0.000 1.124 458 L CA 0.361 55.086 54.840 -0.192 0.000 0.816 458 L CB 0.328 42.341 42.059 -0.076 0.000 1.129 458 L HN -0.007 nan 8.230 nan 0.000 0.448 459 H N 0.517 119.640 119.070 0.088 0.000 2.690 459 H HA 0.321 4.782 4.556 -0.159 0.000 0.368 459 H C -0.632 174.763 175.328 0.111 0.000 1.150 459 H CA -0.730 55.378 56.048 0.100 0.000 1.174 459 H CB 1.711 31.555 29.762 0.136 0.000 1.684 459 H HN 0.417 nan 8.280 nan 0.000 0.538 460 T N 2.377 117.061 114.554 0.217 0.000 2.769 460 T HA 0.096 4.351 4.350 -0.158 0.000 0.293 460 T C 1.586 176.388 174.700 0.169 0.000 0.931 460 T CA -0.161 62.039 62.100 0.166 0.000 1.139 460 T CB 0.074 69.011 68.868 0.115 0.000 0.881 460 T HN 0.515 nan 8.240 nan 0.000 0.532 461 V N 1.370 121.400 119.914 0.193 0.000 3.645 461 V HA 0.568 4.593 4.120 -0.158 0.000 0.275 461 V C -0.029 176.196 176.094 0.218 0.000 1.356 461 V CA -0.124 62.289 62.300 0.188 0.000 1.051 461 V CB -0.397 31.563 31.823 0.228 0.000 0.828 461 V HN 0.652 nan 8.190 nan 0.000 0.441 462 F N 0.980 120.955 119.950 0.041 0.000 2.615 462 F HA 0.746 5.178 4.527 -0.158 0.000 0.312 462 F C -0.856 174.959 175.800 0.025 0.000 1.119 462 F CA -0.767 57.246 58.000 0.022 0.000 0.979 462 F CB 1.811 40.817 39.000 0.010 0.000 1.266 462 F HN -0.042 nan 8.300 nan 0.000 0.444 463 K N 4.781 124.933 120.400 -0.414 0.000 2.589 463 K HA 0.269 4.494 4.320 -0.158 0.000 0.253 463 K C -1.039 175.338 176.600 -0.371 0.000 0.974 463 K CA -0.578 55.585 56.287 -0.206 0.000 0.835 463 K CB 0.914 33.365 32.500 -0.082 0.000 1.272 463 K HN 0.754 nan 8.250 nan 0.000 0.444 464 N N 2.777 121.348 118.700 -0.214 0.000 2.705 464 N HA -0.229 4.416 4.740 -0.158 0.000 0.255 464 N C 0.520 175.929 175.510 -0.168 0.000 1.008 464 N CA 1.761 54.702 53.050 -0.182 0.000 0.742 464 N CB -1.169 37.217 38.487 -0.169 0.000 0.906 464 N HN 1.127 nan 8.380 nan 0.000 0.541 465 G N -1.919 106.700 108.800 -0.301 0.000 2.225 465 G HA2 -0.332 3.533 3.960 -0.158 0.000 0.254 465 G HA3 -0.332 3.533 3.960 -0.158 0.000 0.254 465 G C -0.087 174.608 174.900 -0.341 0.000 0.988 465 G CA 0.733 45.764 45.100 -0.116 0.000 0.625 465 G HN 0.411 nan 8.290 nan 0.000 0.527 466 K N 0.501 120.523 120.400 -0.629 0.000 2.207 466 K HA 0.663 4.888 4.320 -0.158 0.000 0.255 466 K C -0.027 176.282 176.600 -0.485 0.000 0.941 466 K CA -0.845 55.202 56.287 -0.400 0.000 0.825 466 K CB 2.483 34.858 32.500 -0.209 0.000 1.119 466 K HN 0.120 nan 8.250 nan 0.000 0.430 467 V N 3.101 122.909 119.914 -0.177 0.000 2.405 467 V HA 0.026 4.051 4.120 -0.158 0.000 0.264 467 V C 1.472 177.529 176.094 -0.061 0.000 1.048 467 V CA 0.108 62.391 62.300 -0.029 0.000 0.966 467 V CB 0.379 32.226 31.823 0.040 0.000 1.015 467 V HN 0.938 nan 8.190 nan 0.000 0.477 468 T N 1.164 115.690 114.554 -0.046 0.000 3.065 468 T HA 0.186 4.441 4.350 -0.158 0.000 0.252 468 T C 0.474 175.147 174.700 -0.045 0.000 1.099 468 T CA -0.067 62.005 62.100 -0.047 0.000 1.063 468 T CB 0.193 69.040 68.868 -0.035 0.000 0.948 468 T HN 0.408 nan 8.240 nan 0.000 0.506 469 K N 0.849 121.225 120.400 -0.041 0.000 2.565 469 K HA 0.600 4.825 4.320 -0.158 0.000 0.251 469 K C -1.672 174.828 176.600 -0.167 0.000 0.956 469 K CA -0.340 55.872 56.287 -0.126 0.000 0.809 469 K CB 2.156 34.596 32.500 -0.100 0.000 1.267 469 K HN 0.039 nan 8.250 nan 0.000 0.438 470 S N 2.419 117.946 115.700 -0.289 0.000 2.599 470 S HA 0.663 5.038 4.470 -0.158 0.000 0.294 470 S C -1.493 172.840 174.600 -0.445 0.000 1.094 470 S CA -0.611 57.450 58.200 -0.231 0.000 0.931 470 S CB 0.689 63.827 63.200 -0.104 0.000 1.093 470 S HN 0.436 nan 8.310 nan 0.000 0.488 471 Y N 0.891 121.261 120.300 0.117 0.000 2.462 471 Y HA 0.498 4.952 4.550 -0.159 0.000 0.346 471 Y C 0.655 176.712 175.900 0.263 0.000 0.976 471 Y CA -0.855 57.350 58.100 0.174 0.000 1.044 471 Y CB 1.640 40.232 38.460 0.220 0.000 1.230 471 Y HN 0.718 nan 8.280 nan 0.000 0.455 472 S N 1.169 117.076 115.700 0.344 0.000 2.652 472 S HA 0.207 4.582 4.470 -0.158 0.000 0.270 472 S C 0.534 175.370 174.600 0.394 0.000 1.243 472 S CA -0.556 57.844 58.200 0.333 0.000 0.999 472 S CB 0.602 63.923 63.200 0.201 0.000 0.973 472 S HN 0.655 nan 8.310 nan 0.000 0.544 473 F N 1.193 121.275 119.950 0.219 0.000 2.333 473 F HA -0.048 4.384 4.527 -0.158 0.000 0.300 473 F C 1.650 177.451 175.800 0.002 0.000 1.083 473 F CA 1.260 59.296 58.000 0.059 0.000 1.395 473 F CB -0.354 38.651 39.000 0.007 0.000 1.056 473 F HN 0.642 nan 8.300 nan 0.000 0.529 474 D N -0.097 120.364 120.400 0.103 0.000 2.149 474 D HA -0.147 4.398 4.640 -0.158 0.000 0.201 474 D C 1.979 178.254 176.300 -0.043 0.000 0.972 474 D CA 1.207 55.210 54.000 0.004 0.000 0.835 474 D CB -0.245 40.586 40.800 0.052 0.000 0.966 474 D HN 0.471 nan 8.370 nan 0.000 0.476 475 E N 0.558 120.777 120.200 0.031 0.000 2.072 475 E HA -0.079 4.176 4.350 -0.158 0.000 0.190 475 E C 2.394 178.963 176.600 -0.052 0.000 0.982 475 E CA 0.357 56.786 56.400 0.048 0.000 0.803 475 E CB 0.177 29.997 29.700 0.200 0.000 0.755 475 E HN 0.034 nan 8.360 nan 0.000 0.453 476 V N 1.490 121.332 119.914 -0.120 0.000 2.255 476 V HA -0.296 3.729 4.120 -0.158 0.000 0.247 476 V C 2.301 178.160 176.094 -0.391 0.000 1.051 476 V CA 1.897 64.031 62.300 -0.276 0.000 1.018 476 V CB -0.503 31.051 31.823 -0.448 0.000 0.641 476 V HN 0.201 nan 8.190 nan 0.000 0.445 477 R N -0.097 120.093 120.500 -0.517 0.000 2.091 477 R HA -0.228 4.017 4.340 -0.158 0.000 0.238 477 R C 2.397 178.536 176.300 -0.267 0.000 1.136 477 R CA 1.792 57.621 56.100 -0.452 0.000 0.959 477 R CB -0.352 29.687 30.300 -0.435 0.000 0.856 477 R HN 0.365 nan 8.270 nan 0.000 0.437 478 K N 0.967 121.255 120.400 -0.185 0.000 2.002 478 K HA -0.120 4.105 4.320 -0.158 0.000 0.209 478 K C 1.652 178.192 176.600 -0.099 0.000 1.048 478 K CA 1.657 57.876 56.287 -0.114 0.000 0.930 478 K CB -0.184 32.280 32.500 -0.061 0.000 0.714 478 K HN 0.057 nan 8.250 nan 0.000 0.438 479 N N 0.297 118.939 118.700 -0.097 0.000 2.149 479 N HA -0.138 4.507 4.740 -0.158 0.000 0.188 479 N C 1.342 176.803 175.510 -0.081 0.000 1.019 479 N CA 1.503 54.512 53.050 -0.069 0.000 0.857 479 N CB -0.369 38.075 38.487 -0.072 0.000 0.997 479 N HN 0.356 nan 8.380 nan 0.000 0.426 480 A N 1.243 123.978 122.820 -0.142 0.000 2.208 480 A HA -0.035 4.190 4.320 -0.158 0.000 0.209 480 A C 0.919 178.414 177.584 -0.148 0.000 1.161 480 A CA -0.186 51.761 52.037 -0.149 0.000 0.782 480 A CB -0.457 18.409 19.000 -0.223 0.000 0.816 480 A HN 0.505 nan 8.150 nan 0.000 0.477 481 Q N -0.176 119.539 119.800 -0.143 0.000 2.450 481 Q HA 0.247 4.492 4.340 -0.158 0.000 0.294 481 Q C -0.292 175.645 176.000 -0.105 0.000 1.129 481 Q CA 0.046 55.766 55.803 -0.138 0.000 0.970 481 Q CB 0.307 28.977 28.738 -0.112 0.000 1.294 481 Q HN 0.415 nan 8.270 nan 0.000 0.453 482 L N 0.853 122.011 121.223 -0.109 0.000 2.490 482 L HA 0.335 4.580 4.340 -0.158 0.000 0.245 482 L C 0.578 177.418 176.870 -0.050 0.000 1.185 482 L CA -0.305 54.487 54.840 -0.079 0.000 0.813 482 L CB 0.206 42.210 42.059 -0.092 0.000 1.233 482 L HN 1.058 nan 8.230 nan 0.000 0.489 483 N N 0.000 118.679 118.700 -0.035 0.000 1.763 483 N HA 0.000 4.645 4.740 -0.158 0.000 0.220 483 N CA 0.000 53.037 53.050 -0.021 0.000 0.885 483 N CB 0.000 38.473 38.487 -0.024 0.000 1.341 483 N HN 0.000 nan 8.380 nan 0.000 0.667