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 1fdo_1_A DATA FIRST_RESID 1 DATA SEQUENCE MKKVVTVCPY CASGCKINLV VDNGKIVRAE AAQGKTNQGT LCLKGYYGWD DATA SEQUENCE FINDTQILTP RLKTPMIRRQ RGGKLEPVSW DEALNYVAER LSAIKEKYGP DATA SEQUENCE DAIQTTGSSR GTGNETNYVM QKFARAVIGT NNVDCCARVX HGPSVAGLHQ DATA SEQUENCE SVGNGAMSNA INEIDNTDLV FVFGYNPADS HPIVANHVIN AKRNGAKIIV DATA SEQUENCE CDPRKIETAR IADMHIALKN GSNIALLNAM GHVIIEENLY DKAFVASRTE DATA SEQUENCE GFEEYRKIVE GYTPESVEDI TGVSASEIRQ AARMYAQAKS AAILWGMGVT DATA SEQUENCE QFYQGVETVR SLTSLAMLTG NLGKPHAGVN PVRGQNNVQG ACDMGALPDT DATA SEQUENCE YPGYQYVKDP ANREKFAKAW GVESLPAHTG YRISELPHRA AHGEVRAAYI DATA SEQUENCE MGEDPLQTDA ELSAVRKAFE DLELVIVQDI FMTKTASAAD VILPSTSWGE DATA SEQUENCE HEGVFTAADR GFQRFFKAVE PKWDLKTDWQ IISEIATRMG YPMHYNNTQE DATA SEQUENCE IWDELRHLCP DFYGATYEKM GELGFIQWPC RDTSDADQGT SYLFKEKFDT DATA SEQUENCE PNGLAQFFTC DWVAPIDKLT DEYPMVLSTV REVGHYSCRS MTGNCAALAA DATA SEQUENCE LADEPGYAQI NTEDAKRLGI EDEALVWVHS RKGKIITRAQ VSDRPNKGAI DATA SEQUENCE YMTYQWWIGA CNELVTENLS PITKTPEYKY CAVRVEPIAD QRAAEQYVID DATA SEQUENCE EYNKLKTRLR EAALA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.255 176.300 -0.076 0.000 1.140 1 M CA 0.000 55.260 55.300 -0.066 0.000 0.988 1 M CB 0.000 32.565 32.600 -0.059 0.000 1.302 2 K N 2.104 122.448 120.400 -0.093 0.000 2.469 2 K HA 0.796 5.116 4.320 0.001 0.000 0.268 2 K C -1.612 174.914 176.600 -0.123 0.000 1.027 2 K CA -1.237 54.989 56.287 -0.102 0.000 0.893 2 K CB 2.159 34.597 32.500 -0.103 0.000 1.460 2 K HN 0.535 nan 8.250 nan 0.000 0.449 3 K N 0.887 121.211 120.400 -0.128 0.000 2.324 3 K HA 0.469 4.789 4.320 0.001 0.000 0.253 3 K C -1.507 175.001 176.600 -0.154 0.000 0.932 3 K CA -0.996 55.206 56.287 -0.142 0.000 0.799 3 K CB 2.404 34.831 32.500 -0.122 0.000 1.154 3 K HN 0.366 nan 8.250 nan 0.000 0.425 4 V N 3.329 123.147 119.914 -0.161 0.000 2.409 4 V HA 0.255 4.375 4.120 0.001 0.000 0.291 4 V C -0.100 175.935 176.094 -0.099 0.000 1.020 4 V CA -1.048 61.162 62.300 -0.151 0.000 0.848 4 V CB 1.678 33.412 31.823 -0.149 0.000 0.990 4 V HN 0.480 nan 8.190 nan 0.000 0.430 5 V N 4.292 124.168 119.914 -0.063 0.000 2.686 5 V HA 0.545 4.665 4.120 0.001 0.000 0.295 5 V C 0.501 176.743 176.094 0.246 0.000 1.055 5 V CA 0.562 62.906 62.300 0.074 0.000 1.050 5 V CB 1.421 33.283 31.823 0.065 0.000 0.984 5 V HN 1.042 nan 8.190 nan 0.000 0.482 6 T N 3.262 117.936 114.554 0.199 0.000 2.731 6 T HA 0.617 4.968 4.350 0.001 0.000 0.300 6 T C -1.452 173.409 174.700 0.269 0.000 1.283 6 T CA -0.308 61.937 62.100 0.242 0.000 1.005 6 T CB 1.876 70.830 68.868 0.144 0.000 1.420 6 T HN 0.333 nan 8.240 nan 0.000 0.503 7 V N 1.212 121.313 119.914 0.312 0.000 2.715 7 V HA 0.494 4.614 4.120 0.001 0.000 0.310 7 V C 0.529 176.824 176.094 0.335 0.000 1.054 7 V CA -0.990 61.480 62.300 0.284 0.000 0.928 7 V CB 1.580 33.557 31.823 0.257 0.000 1.007 7 V HN 1.124 nan 8.190 nan 0.000 0.437 8 C N 7.229 126.663 119.300 0.223 0.000 2.632 8 C HA 0.294 4.754 4.460 0.001 0.000 0.415 8 C C -0.524 174.358 174.990 -0.181 0.000 1.332 8 C CA -0.981 58.076 59.018 0.066 0.000 1.874 8 C CB 0.337 28.145 27.740 0.114 0.000 2.596 8 C HN 0.820 nan 8.230 nan 0.000 0.590 9 P HA 0.020 nan 4.420 nan 0.000 0.249 9 P C 0.033 176.712 177.300 -1.035 0.000 1.241 9 P CA 0.969 63.531 63.100 -0.897 0.000 0.781 9 P CB 0.062 30.907 31.700 -1.426 0.000 1.088 10 Y N 1.108 121.063 120.300 -0.574 0.000 2.732 10 Y HA 0.091 4.641 4.550 0.001 0.000 0.208 10 Y C 2.217 177.638 175.900 -0.798 0.000 0.957 10 Y CA -0.109 57.437 58.100 -0.924 0.000 1.169 10 Y CB -1.269 36.800 38.460 -0.653 0.000 1.045 10 Y HN 0.036 nan 8.280 nan 0.000 0.467 11 C N 0.623 119.828 119.300 -0.158 0.000 2.470 11 C HA 0.707 5.167 4.460 0.001 0.000 0.350 11 C C 1.563 176.630 174.990 0.128 0.000 1.341 11 C CA -0.433 58.642 59.018 0.095 0.000 2.440 11 C CB 0.160 28.014 27.740 0.189 0.000 2.295 11 C HN 0.659 nan 8.230 nan 0.000 0.645 12 A N 1.120 124.103 122.820 0.272 0.000 2.291 12 A HA 0.216 4.536 4.320 0.001 0.000 0.220 12 A C 1.870 179.553 177.584 0.166 0.000 1.262 12 A CA 0.693 52.829 52.037 0.165 0.000 0.867 12 A CB -0.909 18.158 19.000 0.112 0.000 0.888 12 A HN 0.944 nan 8.150 nan 0.000 0.487 13 S N -0.516 115.322 115.700 0.231 0.000 2.423 13 S HA 0.171 4.641 4.470 0.001 0.000 0.231 13 S C 1.593 176.305 174.600 0.187 0.000 1.014 13 S CA 0.918 59.232 58.200 0.190 0.000 0.965 13 S CB -0.249 63.081 63.200 0.216 0.000 0.785 13 S HN 1.668 nan 8.310 nan 0.000 0.495 14 G N 0.829 109.744 108.800 0.191 0.000 2.198 14 G HA2 -0.278 3.683 3.960 0.001 0.000 0.257 14 G HA3 -0.278 3.683 3.960 0.001 0.000 0.257 14 G C 0.092 175.134 174.900 0.237 0.000 1.042 14 G CA -0.064 45.181 45.100 0.242 0.000 0.791 14 G HN 0.536 nan 8.290 nan 0.000 0.502 15 C N 1.176 120.590 119.300 0.189 0.000 2.634 15 C HA 0.369 4.829 4.460 0.001 0.000 0.418 15 C C 1.035 176.136 174.990 0.184 0.000 1.373 15 C CA -0.507 58.613 59.018 0.171 0.000 1.756 15 C CB 0.403 28.238 27.740 0.158 0.000 2.589 15 C HN 0.403 nan 8.230 nan 0.000 0.602 16 K N 3.761 124.261 120.400 0.166 0.000 2.234 16 K HA 0.547 4.868 4.320 0.001 0.000 0.282 16 K C -0.281 176.403 176.600 0.140 0.000 1.039 16 K CA 0.233 56.618 56.287 0.163 0.000 0.928 16 K CB 0.953 33.538 32.500 0.142 0.000 1.039 16 K HN 0.617 nan 8.250 nan 0.000 0.470 17 I N 2.337 122.998 120.570 0.152 0.000 2.740 17 I HA 0.208 4.379 4.170 0.001 0.000 0.303 17 I C -0.240 175.908 176.117 0.051 0.000 1.044 17 I CA -1.013 60.355 61.300 0.113 0.000 1.064 17 I CB 1.983 40.093 38.000 0.184 0.000 1.249 17 I HN 0.344 nan 8.210 nan 0.000 0.433 18 N N 5.725 124.414 118.700 -0.018 0.000 2.476 18 N HA 0.463 5.204 4.740 0.001 0.000 0.257 18 N C -1.084 174.337 175.510 -0.148 0.000 0.970 18 N CA -0.338 52.668 53.050 -0.073 0.000 0.938 18 N CB 1.647 40.088 38.487 -0.078 0.000 1.144 18 N HN 0.386 nan 8.380 nan 0.000 0.500 19 L N 2.166 123.272 121.223 -0.194 0.000 2.264 19 L HA 0.400 4.740 4.340 0.001 0.000 0.289 19 L C -0.108 176.583 176.870 -0.298 0.000 1.044 19 L CA -0.910 53.735 54.840 -0.326 0.000 0.807 19 L CB 1.168 42.993 42.059 -0.388 0.000 1.192 19 L HN 0.095 nan 8.230 nan 0.000 0.425 20 V N 5.061 124.783 119.914 -0.320 0.000 2.455 20 V HA 0.201 4.321 4.120 0.001 0.000 0.273 20 V C 0.307 176.245 176.094 -0.260 0.000 1.045 20 V CA -0.431 61.724 62.300 -0.243 0.000 0.976 20 V CB 1.311 33.012 31.823 -0.202 0.000 0.993 20 V HN 0.392 nan 8.190 nan 0.000 0.475 21 V N 4.116 123.908 119.914 -0.205 0.000 2.547 21 V HA 0.545 4.665 4.120 0.001 0.000 0.299 21 V C -0.508 175.507 176.094 -0.133 0.000 1.040 21 V CA -0.420 61.770 62.300 -0.184 0.000 0.913 21 V CB 2.026 33.747 31.823 -0.170 0.000 0.992 21 V HN 0.973 nan 8.190 nan 0.000 0.449 22 D N 3.349 123.682 120.400 -0.111 0.000 2.788 22 D HA 0.445 5.086 4.640 0.001 0.000 0.247 22 D C 0.077 176.337 176.300 -0.067 0.000 1.236 22 D CA -0.090 53.863 54.000 -0.079 0.000 0.898 22 D CB 1.360 42.121 40.800 -0.064 0.000 1.401 22 D HN 0.640 nan 8.370 nan 0.000 0.549 23 N N 1.734 120.397 118.700 -0.060 0.000 1.584 23 N HA -0.202 4.539 4.740 0.001 0.000 0.165 23 N C 0.624 176.095 175.510 -0.064 0.000 0.759 23 N CA 2.039 55.057 53.050 -0.053 0.000 1.144 23 N CB -1.161 37.300 38.487 -0.043 0.000 1.365 23 N HN 0.488 nan 8.380 nan 0.000 0.454 24 G N 0.267 109.028 108.800 -0.065 0.000 4.144 24 G HA2 0.533 4.493 3.960 0.001 0.000 0.297 24 G HA3 0.533 4.493 3.960 0.001 0.000 0.297 24 G C -0.845 174.003 174.900 -0.086 0.000 1.090 24 G CA -0.054 45.000 45.100 -0.077 0.000 0.870 24 G HN 0.309 nan 8.290 nan 0.000 0.532 25 K N -0.031 120.318 120.400 -0.085 0.000 2.469 25 K HA 0.525 4.845 4.320 0.001 0.000 0.254 25 K C -0.795 175.732 176.600 -0.121 0.000 0.939 25 K CA -0.804 55.434 56.287 -0.081 0.000 0.812 25 K CB 2.746 35.222 32.500 -0.040 0.000 1.301 25 K HN -0.007 nan 8.250 nan 0.000 0.433 26 I N 2.191 122.674 120.570 -0.146 0.000 2.471 26 I HA -0.023 4.147 4.170 0.001 0.000 0.286 26 I C 0.771 176.701 176.117 -0.310 0.000 1.079 26 I CA -0.001 61.110 61.300 -0.315 0.000 1.398 26 I CB 1.105 38.847 38.000 -0.430 0.000 1.403 26 I HN 0.465 nan 8.210 nan 0.000 0.530 27 V N 6.372 126.057 119.914 -0.381 0.000 2.922 27 V HA 0.205 4.325 4.120 0.001 0.000 0.242 27 V C 0.551 176.505 176.094 -0.234 0.000 1.094 27 V CA 0.638 62.822 62.300 -0.195 0.000 1.106 27 V CB 0.231 31.983 31.823 -0.118 0.000 0.799 27 V HN 0.857 nan 8.190 nan 0.000 0.474 28 R N -0.803 119.365 120.500 -0.554 0.000 2.728 28 R HA 0.627 4.968 4.340 0.001 0.000 0.274 28 R C -1.937 173.973 176.300 -0.650 0.000 1.032 28 R CA 0.014 55.880 56.100 -0.391 0.000 0.866 28 R CB 1.567 31.793 30.300 -0.125 0.000 1.263 28 R HN 0.081 nan 8.270 nan 0.000 0.475 29 A N 1.774 124.307 122.820 -0.479 0.000 2.355 29 A HA 0.658 4.978 4.320 0.001 0.000 0.317 29 A C -1.362 175.976 177.584 -0.410 0.000 1.094 29 A CA -0.620 51.170 52.037 -0.413 0.000 0.764 29 A CB 1.416 20.292 19.000 -0.206 0.000 1.230 29 A HN 0.791 nan 8.150 nan 0.000 0.448 30 E N 1.285 121.326 120.200 -0.265 0.000 2.343 30 E HA 0.655 5.005 4.350 0.001 0.000 0.278 30 E C -0.332 176.232 176.600 -0.061 0.000 0.910 30 E CA -0.905 55.368 56.400 -0.212 0.000 0.757 30 E CB 1.685 31.292 29.700 -0.155 0.000 1.218 30 E HN 1.003 nan 8.360 nan 0.000 0.435 31 A N 1.901 124.732 122.820 0.018 0.000 2.555 31 A HA 0.457 4.778 4.320 0.001 0.000 0.233 31 A C 0.183 177.789 177.584 0.037 0.000 1.060 31 A CA 0.584 52.658 52.037 0.061 0.000 0.759 31 A CB 0.068 19.123 19.000 0.093 0.000 0.995 31 A HN 0.794 nan 8.150 nan 0.000 0.506 32 A N 1.306 124.156 122.820 0.050 0.000 2.313 32 A HA 0.640 4.960 4.320 0.001 0.000 0.323 32 A C -0.025 177.586 177.584 0.045 0.000 1.133 32 A CA -0.646 51.414 52.037 0.039 0.000 0.847 32 A CB 0.707 19.736 19.000 0.049 0.000 1.308 32 A HN 0.721 nan 8.150 nan 0.000 0.475 33 Q N 1.127 120.948 119.800 0.035 0.000 3.254 33 Q HA 0.216 4.556 4.340 0.001 0.000 0.315 33 Q C 0.659 176.684 176.000 0.042 0.000 1.405 33 Q CA 0.137 55.959 55.803 0.032 0.000 0.966 33 Q CB -0.321 28.429 28.738 0.020 0.000 1.706 33 Q HN 0.796 nan 8.270 nan 0.000 0.525 34 G N 0.712 109.547 108.800 0.058 0.000 2.651 34 G HA2 0.061 4.022 3.960 0.001 0.000 0.260 34 G HA3 0.061 4.022 3.960 0.001 0.000 0.260 34 G C 0.910 175.819 174.900 0.016 0.000 1.216 34 G CA -0.302 44.840 45.100 0.069 0.000 0.913 34 G HN 0.294 nan 8.290 nan 0.000 0.535 35 K N -1.097 119.276 120.400 -0.044 0.000 2.103 35 K HA -0.081 4.239 4.320 0.001 0.000 0.204 35 K C 2.611 179.077 176.600 -0.224 0.000 1.052 35 K CA 2.390 58.560 56.287 -0.196 0.000 0.945 35 K CB -0.544 31.698 32.500 -0.430 0.000 0.722 35 K HN 0.562 nan 8.250 nan 0.000 0.443 36 T N -0.752 113.670 114.554 -0.220 0.000 2.814 36 T HA -0.067 4.283 4.350 0.001 0.000 0.254 36 T C 1.615 176.425 174.700 0.183 0.000 1.037 36 T CA 0.907 62.984 62.100 -0.037 0.000 1.143 36 T CB -0.656 68.180 68.868 -0.054 0.000 0.866 36 T HN 0.320 nan 8.240 nan 0.000 0.431 37 N N 1.539 120.298 118.700 0.099 0.000 2.376 37 N HA -0.096 4.645 4.740 0.001 0.000 0.177 37 N C 0.410 175.944 175.510 0.041 0.000 1.024 37 N CA 0.391 53.492 53.050 0.084 0.000 0.893 37 N CB -0.794 37.751 38.487 0.097 0.000 0.980 37 N HN 0.625 nan 8.380 nan 0.000 0.439 38 Q N 0.205 120.026 119.800 0.034 0.000 2.439 38 Q HA -0.165 4.175 4.340 0.001 0.000 0.361 38 Q C 0.596 176.608 176.000 0.020 0.000 1.408 38 Q CA 0.451 56.265 55.803 0.019 0.000 1.052 38 Q CB -1.841 26.897 28.738 -0.000 0.000 1.233 38 Q HN 0.745 nan 8.270 nan 0.000 0.347 39 G N -0.763 108.058 108.800 0.035 0.000 2.179 39 G HA2 -0.365 3.596 3.960 0.001 0.000 0.260 39 G HA3 -0.365 3.596 3.960 0.001 0.000 0.260 39 G C 0.206 175.138 174.900 0.053 0.000 0.977 39 G CA 0.689 45.812 45.100 0.039 0.000 0.641 39 G HN 1.021 nan 8.290 nan 0.000 0.533 40 T N -1.591 112.996 114.554 0.054 0.000 2.942 40 T HA 0.863 5.213 4.350 0.001 0.000 0.289 40 T C -0.311 174.448 174.700 0.097 0.000 1.044 40 T CA -0.682 61.457 62.100 0.065 0.000 1.023 40 T CB 2.879 71.767 68.868 0.033 0.000 1.123 40 T HN 0.765 nan 8.240 nan 0.000 0.512 41 L N 0.136 121.429 121.223 0.117 0.000 2.720 41 L HA 0.667 5.008 4.340 0.001 0.000 0.261 41 L C -0.149 176.790 176.870 0.114 0.000 1.046 41 L CA -1.320 53.608 54.840 0.146 0.000 0.886 41 L CB 2.332 44.523 42.059 0.219 0.000 1.493 41 L HN 1.167 nan 8.230 nan 0.000 0.407 42 C N -1.035 118.331 119.300 0.111 0.000 2.423 42 C HA 0.545 5.005 4.460 0.001 0.000 0.378 42 C C 1.643 176.685 174.990 0.087 0.000 1.244 42 C CA -0.761 58.298 59.018 0.067 0.000 1.978 42 C CB 0.956 28.728 27.740 0.053 0.000 2.252 42 C HN 0.873 nan 8.230 nan 0.000 0.526 43 L N 1.427 122.688 121.223 0.063 0.000 2.054 43 L HA -0.220 4.120 4.340 0.001 0.000 0.220 43 L C 2.733 179.707 176.870 0.174 0.000 1.081 43 L CA 2.245 57.174 54.840 0.147 0.000 0.780 43 L CB -0.556 41.568 42.059 0.109 0.000 0.893 43 L HN 0.891 nan 8.230 nan 0.000 0.438 44 K N -1.375 119.036 120.400 0.019 0.000 2.026 44 K HA -0.109 4.211 4.320 0.001 0.000 0.208 44 K C 2.016 178.649 176.600 0.055 0.000 1.048 44 K CA 1.245 57.453 56.287 -0.133 0.000 0.929 44 K CB -0.745 31.488 32.500 -0.444 0.000 0.713 44 K HN 0.538 nan 8.250 nan 0.000 0.439 45 G N 0.199 109.094 108.800 0.158 0.000 2.440 45 G HA2 -0.288 3.672 3.960 0.001 0.000 0.218 45 G HA3 -0.288 3.672 3.960 0.001 0.000 0.218 45 G C 1.388 176.489 174.900 0.335 0.000 1.154 45 G CA 0.791 46.059 45.100 0.281 0.000 0.767 45 G HN 0.259 nan 8.290 nan 0.000 0.552 46 Y N -0.456 119.912 120.300 0.114 0.000 2.184 46 Y HA -0.003 4.547 4.550 0.000 0.000 0.290 46 Y C 2.316 178.234 175.900 0.029 0.000 1.129 46 Y CA 1.530 59.635 58.100 0.008 0.000 1.144 46 Y CB 0.153 38.459 38.460 -0.256 0.000 0.995 46 Y HN 0.242 nan 8.280 nan 0.000 0.513 47 Y N -1.993 118.505 120.300 0.330 0.000 2.507 47 Y HA 0.294 4.844 4.550 0.001 0.000 0.263 47 Y C 2.019 177.853 175.900 -0.109 0.000 1.093 47 Y CA 0.294 58.442 58.100 0.080 0.000 1.285 47 Y CB -0.228 38.253 38.460 0.035 0.000 1.115 47 Y HN -0.021 nan 8.280 nan 0.000 0.533 48 G N 0.515 109.436 108.800 0.202 0.000 3.471 48 G HA2 -0.031 3.929 3.960 0.001 0.000 0.254 48 G HA3 -0.031 3.929 3.960 0.001 0.000 0.254 48 G C 0.546 175.799 174.900 0.589 0.000 1.199 48 G CA -0.167 45.086 45.100 0.255 0.000 1.683 48 G HN 0.645 nan 8.290 nan 0.000 0.625 49 W N 0.102 121.655 121.300 0.423 0.000 2.741 49 W HA 0.144 4.804 4.660 0.000 0.000 0.317 49 W C 0.359 176.825 176.519 -0.089 0.000 1.029 49 W CA 0.332 57.840 57.345 0.272 0.000 1.511 49 W CB -0.003 29.672 29.460 0.358 0.000 1.025 49 W HN 0.337 nan 8.180 nan 0.000 0.554 50 D N 1.965 122.116 120.400 -0.414 0.000 2.338 50 D HA -0.150 4.490 4.640 0.001 0.000 0.239 50 D C 1.246 177.538 176.300 -0.014 0.000 1.095 50 D CA -0.019 53.814 54.000 -0.278 0.000 0.888 50 D CB -1.211 39.256 40.800 -0.555 0.000 0.899 50 D HN 0.298 nan 8.370 nan 0.000 0.525 51 F N -0.711 119.389 119.950 0.250 0.000 2.710 51 F HA 0.280 4.808 4.527 0.001 0.000 0.298 51 F C 1.889 177.938 175.800 0.415 0.000 1.137 51 F CA -0.412 57.805 58.000 0.361 0.000 1.444 51 F CB -0.642 38.626 39.000 0.447 0.000 1.111 51 F HN -0.137 nan 8.300 nan 0.000 0.580 52 I N 1.210 121.599 120.570 -0.302 0.000 2.394 52 I HA -0.224 3.946 4.170 0.001 0.000 0.251 52 I C 1.324 177.512 176.117 0.119 0.000 1.136 52 I CA 0.990 62.257 61.300 -0.056 0.000 1.425 52 I CB -0.591 37.327 38.000 -0.136 0.000 1.079 52 I HN 0.208 nan 8.210 nan 0.000 0.425 53 N N 0.954 119.728 118.700 0.122 0.000 2.434 53 N HA -0.084 4.656 4.740 0.001 0.000 0.196 53 N C -0.126 175.514 175.510 0.217 0.000 1.183 53 N CA 0.493 53.624 53.050 0.135 0.000 0.849 53 N CB -0.225 38.326 38.487 0.107 0.000 0.992 53 N HN 0.220 nan 8.380 nan 0.000 0.460 54 D N 0.280 120.879 120.400 0.330 0.000 2.705 54 D HA -0.151 4.489 4.640 0.001 0.000 0.240 54 D C 1.277 177.738 176.300 0.268 0.000 1.137 54 D CA 0.992 55.220 54.000 0.379 0.000 0.677 54 D CB -1.105 40.006 40.800 0.519 0.000 1.049 54 D HN 0.439 nan 8.370 nan 0.000 0.427 55 T N -2.186 112.509 114.554 0.235 0.000 2.720 55 T HA -0.261 4.090 4.350 0.001 0.000 0.268 55 T C 1.402 176.181 174.700 0.132 0.000 1.037 55 T CA 2.044 64.235 62.100 0.152 0.000 1.144 55 T CB -0.189 68.750 68.868 0.119 0.000 0.864 55 T HN 0.544 nan 8.240 nan 0.000 0.444 56 Q N -0.614 119.282 119.800 0.159 0.000 2.465 56 Q HA -0.164 4.176 4.340 0.001 0.000 0.248 56 Q C 1.151 177.179 176.000 0.048 0.000 0.819 56 Q CA 0.845 56.718 55.803 0.115 0.000 1.219 56 Q CB -2.331 26.470 28.738 0.104 0.000 1.472 56 Q HN 0.623 nan 8.270 nan 0.000 0.630 57 I N -0.316 120.274 120.570 0.034 0.000 2.163 57 I HA -0.275 3.896 4.170 0.001 0.000 0.243 57 I C 2.090 178.170 176.117 -0.062 0.000 1.085 57 I CA 1.859 63.151 61.300 -0.012 0.000 1.347 57 I CB -0.106 37.890 38.000 -0.006 0.000 1.044 57 I HN 0.267 nan 8.210 nan 0.000 0.408 58 L N -1.235 119.937 121.223 -0.084 0.000 2.435 58 L HA 0.221 4.561 4.340 0.001 0.000 0.195 58 L C 0.220 177.061 176.870 -0.049 0.000 1.072 58 L CA 1.111 55.854 54.840 -0.162 0.000 0.833 58 L CB 0.453 42.302 42.059 -0.349 0.000 1.081 58 L HN 0.101 nan 8.230 nan 0.000 0.485 59 T N 0.420 114.983 114.554 0.015 0.000 2.956 59 T HA 0.453 4.804 4.350 0.001 0.000 0.312 59 T C -2.901 171.932 174.700 0.222 0.000 1.151 59 T CA -1.179 61.012 62.100 0.152 0.000 1.024 59 T CB 1.910 70.934 68.868 0.259 0.000 1.140 59 T HN -0.082 nan 8.240 nan 0.000 0.473 60 P HA 0.346 nan 4.420 nan 0.000 0.279 60 P C -0.321 177.122 177.300 0.238 0.000 1.239 60 P CA -0.652 62.562 63.100 0.190 0.000 0.789 60 P CB 0.968 32.721 31.700 0.089 0.000 0.933 61 R N 2.377 122.998 120.500 0.203 0.000 2.679 61 R HA 0.163 4.503 4.340 0.001 0.000 0.268 61 R C 0.007 176.163 176.300 -0.240 0.000 1.044 61 R CA -0.091 56.001 56.100 -0.012 0.000 1.105 61 R CB -0.414 29.846 30.300 -0.067 0.000 0.989 61 R HN 0.442 nan 8.270 nan 0.000 0.447 62 L N 5.421 126.506 121.223 -0.231 0.000 2.433 62 L HA 0.045 4.385 4.340 0.001 0.000 0.275 62 L C 0.947 177.545 176.870 -0.453 0.000 1.128 62 L CA 0.487 55.179 54.840 -0.248 0.000 0.875 62 L CB 0.637 42.627 42.059 -0.115 0.000 1.171 62 L HN 0.766 nan 8.230 nan 0.000 0.463 63 K N 0.848 120.917 120.400 -0.552 0.000 2.287 63 K HA 0.099 4.419 4.320 0.001 0.000 0.199 63 K C 0.630 177.032 176.600 -0.331 0.000 1.061 63 K CA 0.430 56.282 56.287 -0.726 0.000 0.976 63 K CB 0.543 32.490 32.500 -0.922 0.000 0.898 63 K HN 0.712 nan 8.250 nan 0.000 0.492 64 T N -0.360 114.029 114.554 -0.275 0.000 2.906 64 T HA 0.466 4.816 4.350 0.001 0.000 0.295 64 T C -3.045 171.449 174.700 -0.343 0.000 1.061 64 T CA -2.610 59.330 62.100 -0.267 0.000 1.000 64 T CB 2.368 71.110 68.868 -0.210 0.000 1.103 64 T HN -0.306 nan 8.240 nan 0.000 0.486 65 P HA 0.456 nan 4.420 nan 0.000 0.274 65 P C -0.736 176.350 177.300 -0.356 0.000 1.231 65 P CA -0.490 62.266 63.100 -0.574 0.000 0.790 65 P CB 0.454 31.590 31.700 -0.940 0.000 0.951 66 M N 1.481 120.915 119.600 -0.278 0.000 2.575 66 M HA 0.547 5.027 4.480 0.001 0.000 0.284 66 M C -0.770 175.395 176.300 -0.226 0.000 1.253 66 M CA -0.588 54.581 55.300 -0.217 0.000 0.861 66 M CB 2.389 34.891 32.600 -0.165 0.000 1.733 66 M HN 0.140 nan 8.290 nan 0.000 0.462 67 I N 0.829 121.263 120.570 -0.227 0.000 2.686 67 I HA 0.453 4.623 4.170 0.001 0.000 0.295 67 I C -0.683 175.304 176.117 -0.216 0.000 1.114 67 I CA -0.643 60.481 61.300 -0.293 0.000 1.038 67 I CB 2.699 40.434 38.000 -0.441 0.000 1.238 67 I HN 0.632 nan 8.210 nan 0.000 0.420 68 R N 5.289 125.671 120.500 -0.196 0.000 2.332 68 R HA 0.400 4.740 4.340 0.001 0.000 0.306 68 R C 0.592 176.827 176.300 -0.108 0.000 1.117 68 R CA -0.416 55.612 56.100 -0.120 0.000 1.108 68 R CB 0.605 30.857 30.300 -0.081 0.000 1.126 68 R HN 0.650 nan 8.270 nan 0.000 0.548 69 R N 0.677 121.119 120.500 -0.097 0.000 2.189 69 R HA -0.076 4.264 4.340 0.001 0.000 0.223 69 R C 0.553 176.853 176.300 -0.001 0.000 1.092 69 R CA 1.005 57.080 56.100 -0.041 0.000 0.989 69 R CB 0.281 30.564 30.300 -0.028 0.000 0.876 69 R HN 0.472 nan 8.270 nan 0.000 0.457 70 Q N 0.191 119.984 119.800 -0.012 0.000 2.330 70 Q HA 0.176 4.517 4.340 0.001 0.000 0.269 70 Q C 0.222 176.220 176.000 -0.003 0.000 1.022 70 Q CA -0.666 55.137 55.803 -0.000 0.000 0.796 70 Q CB 1.505 30.242 28.738 -0.002 0.000 1.271 70 Q HN -0.095 nan 8.270 nan 0.000 0.450 71 R N 2.291 122.793 120.500 0.004 0.000 2.159 71 R HA -0.100 4.241 4.340 0.001 0.000 0.237 71 R C 1.631 177.933 176.300 0.004 0.000 1.131 71 R CA 1.339 57.441 56.100 0.004 0.000 0.982 71 R CB -0.571 29.734 30.300 0.008 0.000 0.868 71 R HN 0.860 nan 8.270 nan 0.000 0.453 72 G N 0.040 108.841 108.800 0.003 0.000 2.501 72 G HA2 0.002 3.962 3.960 0.001 0.000 0.220 72 G HA3 0.002 3.962 3.960 0.001 0.000 0.220 72 G C 0.581 175.481 174.900 0.000 0.000 1.114 72 G CA 0.998 46.099 45.100 0.003 0.000 0.757 72 G HN 0.663 nan 8.290 nan 0.000 0.559 73 G N -1.374 107.423 108.800 -0.004 0.000 2.371 73 G HA2 0.367 4.327 3.960 0.001 0.000 0.663 73 G HA3 0.367 4.327 3.960 0.001 0.000 0.663 73 G C -0.316 174.574 174.900 -0.017 0.000 1.311 73 G CA -0.098 44.997 45.100 -0.008 0.000 0.985 73 G HN 0.851 nan 8.290 nan 0.000 0.566 74 K N -1.219 119.169 120.400 -0.020 0.000 4.657 74 K HA -0.130 4.191 4.320 0.001 0.000 0.907 74 K C -1.192 175.381 176.600 -0.045 0.000 1.527 74 K CA -0.086 56.184 56.287 -0.029 0.000 1.438 74 K CB -0.816 31.669 32.500 -0.026 0.000 2.735 74 K HN 1.407 nan 8.250 nan 0.000 0.233 75 L N 5.258 126.453 121.223 -0.048 0.000 2.328 75 L HA 0.295 4.635 4.340 0.001 0.000 0.280 75 L C 0.005 176.830 176.870 -0.075 0.000 1.111 75 L CA 0.318 55.117 54.840 -0.067 0.000 0.909 75 L CB 0.655 42.680 42.059 -0.057 0.000 1.277 75 L HN 0.297 nan 8.230 nan 0.000 0.433 76 E N 5.955 126.104 120.200 -0.085 0.000 2.266 76 E HA 0.373 4.724 4.350 0.001 0.000 0.277 76 E C -2.338 174.196 176.600 -0.110 0.000 1.018 76 E CA -1.942 54.407 56.400 -0.084 0.000 0.840 76 E CB 0.975 30.632 29.700 -0.071 0.000 1.082 76 E HN 0.369 nan 8.360 nan 0.000 0.395 77 P HA 0.034 nan 4.420 nan 0.000 0.268 77 P C -0.352 176.867 177.300 -0.135 0.000 1.208 77 P CA 0.034 63.054 63.100 -0.132 0.000 0.777 77 P CB 0.874 32.508 31.700 -0.109 0.000 0.875 78 V N 0.958 120.767 119.914 -0.175 0.000 3.120 78 V HA 0.224 4.345 4.120 0.001 0.000 0.303 78 V C 0.345 176.319 176.094 -0.201 0.000 1.238 78 V CA -0.557 61.647 62.300 -0.160 0.000 1.008 78 V CB 2.360 34.079 31.823 -0.173 0.000 1.064 78 V HN 0.807 nan 8.190 nan 0.000 0.434 79 S N 1.792 117.416 115.700 -0.127 0.000 2.608 79 S HA 0.180 4.650 4.470 0.001 0.000 0.261 79 S C 0.623 175.155 174.600 -0.113 0.000 1.314 79 S CA 0.172 58.311 58.200 -0.101 0.000 0.992 79 S CB 0.469 63.674 63.200 0.010 0.000 0.935 79 S HN 0.707 nan 8.310 nan 0.000 0.564 80 W N 0.495 121.797 121.300 0.004 0.000 2.355 80 W HA -0.038 4.622 4.660 0.001 0.000 0.309 80 W C 2.349 178.875 176.519 0.013 0.000 1.206 80 W CA 1.445 58.794 57.345 0.006 0.000 1.284 80 W CB -0.611 28.855 29.460 0.010 0.000 1.145 80 W HN 0.914 nan 8.180 nan 0.000 0.502 81 D N 0.087 120.635 120.400 0.247 0.000 2.106 81 D HA -0.293 4.347 4.640 0.001 0.000 0.191 81 D C 1.959 178.333 176.300 0.124 0.000 0.997 81 D CA 2.078 56.173 54.000 0.159 0.000 0.834 81 D CB -0.207 40.659 40.800 0.111 0.000 0.956 81 D HN 0.182 nan 8.370 nan 0.000 0.448 82 E N -0.720 119.530 120.200 0.083 0.000 2.110 82 E HA -0.213 4.138 4.350 0.001 0.000 0.193 82 E C 1.910 178.554 176.600 0.074 0.000 0.988 82 E CA 1.016 57.455 56.400 0.065 0.000 0.804 82 E CB -0.132 29.577 29.700 0.015 0.000 0.745 82 E HN 0.357 nan 8.360 nan 0.000 0.458 83 A N 0.894 123.729 122.820 0.024 0.000 1.854 83 A HA -0.092 4.228 4.320 0.001 0.000 0.214 83 A C 2.182 179.836 177.584 0.116 0.000 1.192 83 A CA 0.919 52.956 52.037 0.000 0.000 0.611 83 A CB -0.664 18.254 19.000 -0.137 0.000 0.832 83 A HN 0.281 nan 8.150 nan 0.000 0.442 84 L N 0.311 121.639 121.223 0.175 0.000 2.131 84 L HA -0.200 4.141 4.340 0.001 0.000 0.210 84 L C 2.539 179.489 176.870 0.134 0.000 1.092 84 L CA 1.547 56.495 54.840 0.179 0.000 0.759 84 L CB -0.574 41.621 42.059 0.227 0.000 0.903 84 L HN 0.638 nan 8.230 nan 0.000 0.435 85 N N -0.528 118.252 118.700 0.133 0.000 2.300 85 N HA -0.220 4.521 4.740 0.001 0.000 0.179 85 N C 2.078 177.649 175.510 0.101 0.000 1.016 85 N CA 0.659 53.770 53.050 0.102 0.000 0.876 85 N CB 0.069 38.610 38.487 0.090 0.000 0.979 85 N HN 0.277 nan 8.380 nan 0.000 0.432 86 Y N 1.750 122.058 120.300 0.013 0.000 2.145 86 Y HA -0.147 4.403 4.550 0.001 0.000 0.286 86 Y C 2.383 178.277 175.900 -0.009 0.000 1.145 86 Y CA 1.451 59.549 58.100 -0.003 0.000 1.148 86 Y CB -0.342 38.106 38.460 -0.020 0.000 0.981 86 Y HN -0.150 nan 8.280 nan 0.000 0.507 87 V N 0.160 120.189 119.914 0.192 0.000 2.237 87 V HA -0.337 3.784 4.120 0.001 0.000 0.245 87 V C 2.656 178.771 176.094 0.035 0.000 1.046 87 V CA 1.902 64.245 62.300 0.072 0.000 1.007 87 V CB -1.650 30.164 31.823 -0.014 0.000 0.638 87 V HN 0.533 nan 8.190 nan 0.000 0.445 88 A N -0.463 122.393 122.820 0.059 0.000 1.917 88 A HA -0.333 3.987 4.320 0.001 0.000 0.219 88 A C 2.189 179.796 177.584 0.039 0.000 1.182 88 A CA 2.474 54.558 52.037 0.078 0.000 0.633 88 A CB -0.572 18.481 19.000 0.089 0.000 0.819 88 A HN 0.632 nan 8.150 nan 0.000 0.448 89 E N -0.839 119.353 120.200 -0.014 0.000 2.015 89 E HA -0.168 4.182 4.350 0.001 0.000 0.191 89 E C 2.392 178.940 176.600 -0.087 0.000 0.991 89 E CA 1.094 57.456 56.400 -0.063 0.000 0.802 89 E CB -0.050 29.574 29.700 -0.127 0.000 0.759 89 E HN 0.342 nan 8.360 nan 0.000 0.447 90 R N 0.323 120.731 120.500 -0.153 0.000 2.094 90 R HA -0.154 4.187 4.340 0.001 0.000 0.239 90 R C 2.520 178.808 176.300 -0.020 0.000 1.137 90 R CA 1.219 57.243 56.100 -0.127 0.000 0.943 90 R CB -1.185 29.022 30.300 -0.155 0.000 0.850 90 R HN 0.324 nan 8.270 nan 0.000 0.433 91 L N 0.073 121.307 121.223 0.018 0.000 2.017 91 L HA -0.159 4.181 4.340 0.001 0.000 0.208 91 L C 2.562 179.466 176.870 0.056 0.000 1.073 91 L CA 1.347 56.227 54.840 0.066 0.000 0.745 91 L CB -0.545 41.589 42.059 0.126 0.000 0.894 91 L HN 0.151 nan 8.230 nan 0.000 0.432 92 S N -0.399 115.328 115.700 0.045 0.000 2.359 92 S HA -0.207 4.263 4.470 0.001 0.000 0.224 92 S C 2.136 176.744 174.600 0.013 0.000 1.035 92 S CA 1.340 59.559 58.200 0.032 0.000 1.018 92 S CB -0.215 63.003 63.200 0.031 0.000 0.876 92 S HN 0.493 nan 8.310 nan 0.000 0.448 93 A N 1.329 124.148 122.820 -0.002 0.000 1.851 93 A HA -0.093 4.227 4.320 0.001 0.000 0.216 93 A C 2.066 179.649 177.584 -0.000 0.000 1.195 93 A CA 1.559 53.585 52.037 -0.018 0.000 0.622 93 A CB -0.841 18.139 19.000 -0.033 0.000 0.831 93 A HN 0.527 nan 8.150 nan 0.000 0.444 94 I N -0.436 120.172 120.570 0.062 0.000 2.361 94 I HA -0.256 3.915 4.170 0.001 0.000 0.251 94 I C 2.533 178.746 176.117 0.159 0.000 1.133 94 I CA 1.801 63.208 61.300 0.178 0.000 1.413 94 I CB -0.190 37.926 38.000 0.194 0.000 1.073 94 I HN 0.452 nan 8.210 nan 0.000 0.424 95 K N 0.905 121.354 120.400 0.082 0.000 2.097 95 K HA -0.178 4.142 4.320 0.001 0.000 0.205 95 K C 1.912 178.527 176.600 0.024 0.000 1.050 95 K CA 1.234 57.558 56.287 0.063 0.000 0.938 95 K CB 0.105 32.625 32.500 0.034 0.000 0.718 95 K HN 0.255 nan 8.250 nan 0.000 0.442 96 E N 0.874 121.064 120.200 -0.018 0.000 2.028 96 E HA -0.179 4.172 4.350 0.001 0.000 0.190 96 E C 1.975 178.499 176.600 -0.127 0.000 0.984 96 E CA 1.020 57.388 56.400 -0.054 0.000 0.800 96 E CB -0.072 29.595 29.700 -0.056 0.000 0.758 96 E HN 0.302 nan 8.360 nan 0.000 0.448 97 K N -0.078 120.169 120.400 -0.255 0.000 2.147 97 K HA -0.150 4.171 4.320 0.001 0.000 0.205 97 K C 0.891 177.072 176.600 -0.699 0.000 1.049 97 K CA 1.294 57.236 56.287 -0.575 0.000 0.936 97 K CB 0.079 32.044 32.500 -0.891 0.000 0.722 97 K HN 0.113 nan 8.250 nan 0.000 0.446 98 Y N -1.023 119.288 120.300 0.018 0.000 2.563 98 Y HA 0.339 4.889 4.550 0.001 0.000 0.250 98 Y C 0.322 176.241 175.900 0.033 0.000 1.126 98 Y CA -0.170 57.946 58.100 0.027 0.000 1.231 98 Y CB 1.377 39.857 38.460 0.033 0.000 1.288 98 Y HN 0.141 nan 8.280 nan 0.000 0.537 99 G N 1.624 110.501 108.800 0.128 0.000 2.692 99 G HA2 -0.168 3.792 3.960 0.001 0.000 0.686 99 G HA3 -0.168 3.792 3.960 0.001 0.000 0.686 99 G C -1.890 173.069 174.900 0.098 0.000 1.243 99 G CA -0.572 44.584 45.100 0.094 0.000 0.782 99 G HN -0.013 nan 8.290 nan 0.000 0.625 100 P HA -0.083 nan 4.420 nan 0.000 0.217 100 P C 0.902 178.233 177.300 0.051 0.000 1.148 100 P CA 1.781 64.904 63.100 0.039 0.000 0.828 100 P CB 0.033 31.737 31.700 0.008 0.000 0.783 101 D N -0.142 120.300 120.400 0.070 0.000 2.392 101 D HA -0.003 4.637 4.640 0.001 0.000 0.228 101 D C 1.816 178.222 176.300 0.177 0.000 1.003 101 D CA 0.727 54.770 54.000 0.071 0.000 0.917 101 D CB -0.628 40.196 40.800 0.041 0.000 0.890 101 D HN 0.174 nan 8.370 nan 0.000 0.532 102 A N -0.176 122.740 122.820 0.160 0.000 2.235 102 A HA 0.124 4.444 4.320 0.001 0.000 0.208 102 A C 0.798 178.461 177.584 0.132 0.000 1.172 102 A CA 0.146 52.274 52.037 0.152 0.000 0.786 102 A CB -0.140 18.946 19.000 0.143 0.000 0.804 102 A HN 0.132 nan 8.150 nan 0.000 0.479 103 I N -0.393 120.257 120.570 0.133 0.000 2.441 103 I HA 0.413 4.583 4.170 0.001 0.000 0.295 103 I C -0.283 175.923 176.117 0.149 0.000 0.994 103 I CA -0.586 60.791 61.300 0.127 0.000 1.144 103 I CB 2.043 40.107 38.000 0.107 0.000 1.314 103 I HN 0.150 nan 8.210 nan 0.000 0.445 104 Q N 4.540 124.438 119.800 0.164 0.000 2.340 104 Q HA 0.663 5.004 4.340 0.001 0.000 0.268 104 Q C -0.872 175.236 176.000 0.181 0.000 1.031 104 Q CA -0.587 55.319 55.803 0.172 0.000 0.804 104 Q CB 1.904 30.748 28.738 0.177 0.000 1.286 104 Q HN 0.745 nan 8.270 nan 0.000 0.448 105 T N -0.099 114.546 114.554 0.152 0.000 2.924 105 T HA 0.886 5.237 4.350 0.001 0.000 0.291 105 T C -0.357 174.394 174.700 0.085 0.000 1.045 105 T CA -0.297 61.886 62.100 0.139 0.000 1.015 105 T CB 1.612 70.558 68.868 0.130 0.000 1.103 105 T HN 0.720 nan 8.240 nan 0.000 0.496 106 T N -1.119 113.464 114.554 0.048 0.000 2.906 106 T HA 0.788 5.139 4.350 0.001 0.000 0.295 106 T C 0.510 175.219 174.700 0.014 0.000 1.061 106 T CA -0.409 61.723 62.100 0.053 0.000 1.000 106 T CB 1.450 70.371 68.868 0.089 0.000 1.103 106 T HN 1.059 nan 8.240 nan 0.000 0.486 107 G N 0.129 108.952 108.800 0.037 0.000 2.543 107 G HA2 0.593 4.553 3.960 0.001 0.000 0.267 107 G HA3 0.593 4.553 3.960 0.001 0.000 0.267 107 G C -0.754 174.183 174.900 0.062 0.000 1.406 107 G CA -0.746 44.377 45.100 0.038 0.000 1.048 107 G HN 1.051 nan 8.290 nan 0.000 0.548 108 S N -2.054 113.694 115.700 0.079 0.000 2.614 108 S HA 0.433 4.903 4.470 0.001 0.000 0.275 108 S C 0.315 174.962 174.600 0.078 0.000 1.161 108 S CA -0.444 57.808 58.200 0.087 0.000 0.969 108 S CB 1.478 64.738 63.200 0.100 0.000 1.059 108 S HN 0.449 nan 8.310 nan 0.000 0.482 109 S N 3.739 119.472 115.700 0.054 0.000 2.631 109 S HA 0.217 4.687 4.470 0.001 0.000 0.217 109 S C 1.049 175.584 174.600 -0.108 0.000 0.958 109 S CA -0.254 57.945 58.200 -0.001 0.000 0.920 109 S CB -0.015 63.204 63.200 0.031 0.000 0.776 109 S HN 0.506 nan 8.310 nan 0.000 0.517 110 R N 1.070 121.534 120.500 -0.060 0.000 2.544 110 R HA 0.406 4.746 4.340 0.001 0.000 0.205 110 R C 2.082 178.329 176.300 -0.088 0.000 1.324 110 R CA 0.031 56.047 56.100 -0.140 0.000 1.008 110 R CB -1.227 29.042 30.300 -0.051 0.000 2.138 110 R HN 0.200 nan 8.270 nan 0.000 0.514 111 G N 0.523 109.356 108.800 0.054 0.000 2.591 111 G HA2 -0.266 3.694 3.960 0.001 0.000 0.218 111 G HA3 -0.266 3.694 3.960 0.001 0.000 0.218 111 G C 1.064 176.400 174.900 0.725 0.000 1.113 111 G CA 1.736 47.077 45.100 0.401 0.000 0.740 111 G HN 0.611 nan 8.290 nan 0.000 0.569 112 T N -1.162 113.706 114.554 0.523 0.000 2.777 112 T HA 0.356 4.707 4.350 0.001 0.000 0.266 112 T C 1.447 176.481 174.700 0.558 0.000 1.040 112 T CA 1.003 63.366 62.100 0.439 0.000 1.141 112 T CB -0.316 68.712 68.868 0.267 0.000 0.868 112 T HN 1.542 nan 8.240 nan 0.000 0.444 113 G N 0.717 109.991 108.800 0.791 0.000 2.479 113 G HA2 -0.107 3.853 3.960 0.001 0.000 0.686 113 G HA3 -0.107 3.853 3.960 0.001 0.000 0.686 113 G C -0.081 175.111 174.900 0.487 0.000 1.295 113 G CA -0.176 45.400 45.100 0.794 0.000 0.922 113 G HN 0.131 nan 8.290 nan 0.000 0.582 114 N N -0.083 118.868 118.700 0.418 0.000 2.270 114 N HA -0.013 4.727 4.740 0.001 0.000 0.181 114 N C 2.095 177.795 175.510 0.317 0.000 1.016 114 N CA 1.671 54.939 53.050 0.363 0.000 0.870 114 N CB -0.184 38.560 38.487 0.428 0.000 0.979 114 N HN 0.648 nan 8.380 nan 0.000 0.431 115 E N -0.431 119.916 120.200 0.246 0.000 2.070 115 E HA -0.160 4.190 4.350 0.001 0.000 0.197 115 E C 1.961 178.638 176.600 0.129 0.000 1.004 115 E CA 1.708 58.183 56.400 0.125 0.000 0.805 115 E CB -0.556 29.101 29.700 -0.072 0.000 0.744 115 E HN 0.432 nan 8.360 nan 0.000 0.451 116 T N -0.640 114.040 114.554 0.210 0.000 2.985 116 T HA -0.031 4.319 4.350 0.001 0.000 0.266 116 T C 1.582 176.374 174.700 0.153 0.000 1.076 116 T CA 0.865 63.101 62.100 0.226 0.000 1.135 116 T CB -0.150 68.901 68.868 0.305 0.000 0.890 116 T HN 0.029 nan 8.240 nan 0.000 0.480 117 N N 0.012 118.817 118.700 0.176 0.000 2.188 117 N HA -0.081 4.659 4.740 0.001 0.000 0.184 117 N C 1.580 177.152 175.510 0.103 0.000 1.018 117 N CA 1.405 54.534 53.050 0.131 0.000 0.858 117 N CB -0.372 38.209 38.487 0.157 0.000 0.989 117 N HN 0.556 nan 8.380 nan 0.000 0.426 118 Y N 2.447 122.775 120.300 0.047 0.000 2.114 118 Y HA -0.188 4.362 4.550 0.000 0.000 0.284 118 Y C 2.340 178.213 175.900 -0.044 0.000 1.143 118 Y CA 1.277 59.385 58.100 0.013 0.000 1.135 118 Y CB -0.611 37.849 38.460 0.001 0.000 0.980 118 Y HN -0.243 nan 8.280 nan 0.000 0.499 119 V N 0.585 120.413 119.914 -0.142 0.000 2.332 119 V HA -0.372 3.748 4.120 0.001 0.000 0.248 119 V C 2.433 178.427 176.094 -0.167 0.000 1.055 119 V CA 2.261 64.435 62.300 -0.210 0.000 1.038 119 V CB -0.858 30.965 31.823 0.000 0.000 0.651 119 V HN 0.566 nan 8.190 nan 0.000 0.450 120 M N 1.290 120.840 119.600 -0.082 0.000 2.086 120 M HA -0.215 4.265 4.480 0.001 0.000 0.261 120 M C 2.262 178.539 176.300 -0.038 0.000 1.067 120 M CA 2.394 57.669 55.300 -0.042 0.000 1.116 120 M CB -0.667 31.901 32.600 -0.055 0.000 1.348 120 M HN 0.574 nan 8.290 nan 0.000 0.407 121 Q N -0.093 119.640 119.800 -0.111 0.000 2.084 121 Q HA -0.211 4.129 4.340 0.001 0.000 0.202 121 Q C 1.998 177.872 176.000 -0.210 0.000 0.978 121 Q CA 2.298 58.036 55.803 -0.108 0.000 0.844 121 Q CB -0.961 27.735 28.738 -0.068 0.000 0.898 121 Q HN 0.659 nan 8.270 nan 0.000 0.426 122 K N 0.004 120.113 120.400 -0.485 0.000 2.074 122 K HA -0.221 4.099 4.320 0.001 0.000 0.209 122 K C 1.815 178.105 176.600 -0.517 0.000 1.048 122 K CA 1.587 57.343 56.287 -0.886 0.000 0.926 122 K CB -0.394 31.387 32.500 -1.198 0.000 0.713 122 K HN 0.372 nan 8.250 nan 0.000 0.444 123 F N 0.668 120.384 119.950 -0.391 0.000 2.206 123 F HA 0.061 4.588 4.527 0.001 0.000 0.298 123 F C 1.853 177.554 175.800 -0.165 0.000 1.090 123 F CA 1.090 58.935 58.000 -0.258 0.000 1.323 123 F CB -0.350 38.581 39.000 -0.116 0.000 1.028 123 F HN 0.079 nan 8.300 nan 0.000 0.492 124 A N 0.895 123.542 122.820 -0.288 0.000 1.898 124 A HA -0.100 4.220 4.320 0.001 0.000 0.216 124 A C 2.296 179.725 177.584 -0.259 0.000 1.181 124 A CA 1.604 53.438 52.037 -0.338 0.000 0.620 124 A CB -0.599 18.335 19.000 -0.109 0.000 0.819 124 A HN 0.461 nan 8.150 nan 0.000 0.442 125 R N -0.894 119.524 120.500 -0.136 0.000 2.075 125 R HA 0.147 4.488 4.340 0.001 0.000 0.226 125 R C 2.331 178.651 176.300 0.034 0.000 1.114 125 R CA 1.136 57.246 56.100 0.017 0.000 0.972 125 R CB -0.249 30.210 30.300 0.264 0.000 0.869 125 R HN 0.481 nan 8.270 nan 0.000 0.437 126 A N -0.056 122.722 122.820 -0.070 0.000 1.956 126 A HA 0.054 4.375 4.320 0.001 0.000 0.212 126 A C 2.069 179.449 177.584 -0.341 0.000 1.188 126 A CA 0.538 52.498 52.037 -0.128 0.000 0.675 126 A CB 0.089 18.920 19.000 -0.282 0.000 0.845 126 A HN 0.067 nan 8.150 nan 0.000 0.455 127 V N 0.478 120.113 119.914 -0.466 0.000 2.341 127 V HA -0.069 4.052 4.120 0.001 0.000 0.240 127 V C 2.340 178.256 176.094 -0.296 0.000 1.035 127 V CA 1.273 63.350 62.300 -0.372 0.000 1.033 127 V CB -0.565 31.081 31.823 -0.295 0.000 0.678 127 V HN 0.457 nan 8.190 nan 0.000 0.464 128 I N 0.773 121.063 120.570 -0.466 0.000 2.286 128 I HA 0.102 4.272 4.170 0.001 0.000 0.245 128 I C 1.793 177.818 176.117 -0.154 0.000 1.104 128 I CA 1.662 62.776 61.300 -0.310 0.000 1.397 128 I CB -1.271 36.501 38.000 -0.380 0.000 1.072 128 I HN 0.606 nan 8.210 nan 0.000 0.417 129 G N 2.287 111.001 108.800 -0.144 0.000 2.203 129 G HA2 -0.184 3.776 3.960 0.001 0.000 0.231 129 G HA3 -0.184 3.776 3.960 0.001 0.000 0.231 129 G C 0.050 174.917 174.900 -0.055 0.000 1.058 129 G CA 0.286 45.352 45.100 -0.056 0.000 0.781 129 G HN 0.407 nan 8.290 nan 0.000 0.496 130 T N -0.815 113.680 114.554 -0.099 0.000 2.916 130 T HA 0.599 4.949 4.350 0.001 0.000 0.292 130 T C 0.512 175.116 174.700 -0.159 0.000 1.055 130 T CA -0.801 61.224 62.100 -0.125 0.000 1.009 130 T CB 1.700 70.509 68.868 -0.098 0.000 1.118 130 T HN -0.018 nan 8.240 nan 0.000 0.497 131 N N 0.940 119.494 118.700 -0.244 0.000 2.230 131 N HA 0.094 4.834 4.740 0.001 0.000 0.202 131 N C -0.124 175.284 175.510 -0.169 0.000 1.119 131 N CA -0.133 52.776 53.050 -0.235 0.000 0.851 131 N CB -0.017 38.266 38.487 -0.340 0.000 0.990 131 N HN 0.364 nan 8.380 nan 0.000 0.497 132 N N 1.008 119.628 118.700 -0.134 0.000 2.874 132 N HA 0.017 4.757 4.740 0.001 0.000 0.316 132 N C -0.885 174.631 175.510 0.010 0.000 1.205 132 N CA 0.283 53.312 53.050 -0.035 0.000 1.180 132 N CB -0.189 38.316 38.487 0.030 0.000 1.450 132 N HN -0.037 nan 8.380 nan 0.000 0.528 133 V N -0.946 118.964 119.914 -0.007 0.000 2.569 133 V HA 0.570 4.690 4.120 0.001 0.000 0.301 133 V C -0.287 175.820 176.094 0.022 0.000 1.044 133 V CA -0.997 61.308 62.300 0.009 0.000 0.874 133 V CB 2.231 34.043 31.823 -0.018 0.000 1.002 133 V HN 0.055 nan 8.190 nan 0.000 0.424 134 D N 2.140 122.570 120.400 0.050 0.000 2.596 134 D HA 0.862 5.502 4.640 0.001 0.000 0.262 134 D C -0.851 175.494 176.300 0.075 0.000 1.210 134 D CA 0.035 54.073 54.000 0.064 0.000 0.873 134 D CB 2.525 43.374 40.800 0.081 0.000 1.408 134 D HN 1.016 nan 8.370 nan 0.000 0.441 135 C N -0.751 118.601 119.300 0.086 0.000 3.318 135 C HA 0.492 4.952 4.460 0.001 0.000 0.329 135 C C 2.124 177.179 174.990 0.108 0.000 1.449 135 C CA -0.133 58.941 59.018 0.095 0.000 1.397 135 C CB 0.342 28.137 27.740 0.092 0.000 1.810 135 C HN 0.883 nan 8.230 nan 0.000 0.449 136 C N 0.840 120.208 119.300 0.112 0.000 2.434 136 C HA 0.269 4.730 4.460 0.001 0.000 0.298 136 C C 2.509 177.581 174.990 0.137 0.000 1.495 136 C CA 0.967 60.058 59.018 0.122 0.000 1.756 136 C CB -2.534 25.276 27.740 0.118 0.000 1.647 136 C HN 1.305 nan 8.230 nan 0.000 0.579 137 A N 1.342 124.246 122.820 0.141 0.000 1.940 137 A HA -0.182 4.139 4.320 0.001 0.000 0.219 137 A C 2.345 180.024 177.584 0.158 0.000 1.176 137 A CA 1.991 54.127 52.037 0.165 0.000 0.631 137 A CB -0.688 18.410 19.000 0.164 0.000 0.814 137 A HN 0.603 nan 8.150 nan 0.000 0.446 138 R N -0.575 120.006 120.500 0.134 0.000 2.119 138 R HA -0.090 4.250 4.340 0.001 0.000 0.246 138 R C 0.783 177.157 176.300 0.124 0.000 1.146 138 R CA 1.756 57.927 56.100 0.118 0.000 0.962 138 R CB -0.684 29.680 30.300 0.107 0.000 0.863 138 R HN 0.318 nan 8.270 nan 0.000 0.442 142 G N 2.095 111.016 108.800 0.201 0.000 2.446 142 G HA2 -0.191 3.769 3.960 0.001 0.000 0.217 142 G HA3 -0.191 3.769 3.960 0.001 0.000 0.217 142 G C -0.826 174.161 174.900 0.145 0.000 1.168 142 G CA 0.694 45.892 45.100 0.163 0.000 0.771 142 G HN 0.238 nan 8.290 nan 0.000 0.551 143 P HA -0.050 nan 4.420 nan 0.000 0.215 143 P C 2.302 179.685 177.300 0.138 0.000 1.153 143 P CA 1.624 64.781 63.100 0.094 0.000 0.853 143 P CB -0.073 31.664 31.700 0.062 0.000 0.788 144 S N -0.712 115.113 115.700 0.209 0.000 2.365 144 S HA -0.138 4.332 4.470 0.001 0.000 0.225 144 S C 1.966 176.740 174.600 0.289 0.000 1.039 144 S CA 1.484 59.895 58.200 0.352 0.000 1.033 144 S CB -1.285 62.236 63.200 0.535 0.000 0.887 144 S HN -0.046 nan 8.310 nan 0.000 0.447 145 V N 1.864 121.923 119.914 0.242 0.000 2.343 145 V HA -0.200 3.920 4.120 0.001 0.000 0.247 145 V C 2.555 178.771 176.094 0.204 0.000 1.051 145 V CA 1.683 64.110 62.300 0.212 0.000 1.036 145 V CB -1.318 30.619 31.823 0.191 0.000 0.654 145 V HN 0.537 nan 8.190 nan 0.000 0.451 146 A N 0.785 123.701 122.820 0.160 0.000 1.828 146 A HA -0.072 4.249 4.320 0.001 0.000 0.215 146 A C 2.500 180.143 177.584 0.098 0.000 1.203 146 A CA 2.019 54.133 52.037 0.128 0.000 0.614 146 A CB -1.605 17.439 19.000 0.073 0.000 0.844 146 A HN 0.496 nan 8.150 nan 0.000 0.445 147 G N -0.274 108.561 108.800 0.058 0.000 2.574 147 G HA2 -0.288 3.672 3.960 0.001 0.000 0.220 147 G HA3 -0.288 3.672 3.960 0.001 0.000 0.220 147 G C 1.593 176.506 174.900 0.022 0.000 1.173 147 G CA 1.309 46.411 45.100 0.003 0.000 0.772 147 G HN 0.417 nan 8.290 nan 0.000 0.585 148 L N -0.586 120.709 121.223 0.120 0.000 2.093 148 L HA -0.061 4.280 4.340 0.001 0.000 0.208 148 L C 2.638 179.547 176.870 0.065 0.000 1.085 148 L CA 1.390 56.304 54.840 0.123 0.000 0.755 148 L CB -0.410 41.786 42.059 0.229 0.000 0.904 148 L HN 0.383 nan 8.230 nan 0.000 0.435 149 H N -0.494 118.603 119.070 0.045 0.000 2.352 149 H HA -0.191 4.366 4.556 0.001 0.000 0.299 149 H C 2.331 177.638 175.328 -0.035 0.000 1.097 149 H CA 1.720 57.786 56.048 0.030 0.000 1.311 149 H CB 0.200 29.989 29.762 0.046 0.000 1.377 149 H HN 0.175 nan 8.280 nan 0.000 0.504 150 Q N -0.099 119.567 119.800 -0.224 0.000 2.049 150 Q HA -0.065 4.276 4.340 0.001 0.000 0.198 150 Q C 2.597 178.430 176.000 -0.279 0.000 0.971 150 Q CA 1.504 57.140 55.803 -0.279 0.000 0.833 150 Q CB -0.079 28.539 28.738 -0.200 0.000 0.896 150 Q HN 0.491 nan 8.270 nan 0.000 0.434 151 S N -0.085 115.474 115.700 -0.234 0.000 2.356 151 S HA -0.088 4.382 4.470 0.001 0.000 0.223 151 S C 1.793 176.142 174.600 -0.419 0.000 1.032 151 S CA 1.335 59.373 58.200 -0.270 0.000 1.005 151 S CB -0.019 63.055 63.200 -0.209 0.000 0.867 151 S HN 0.192 nan 8.310 nan 0.000 0.449 152 V N -0.551 119.111 119.914 -0.420 0.000 3.398 152 V HA 0.452 4.573 4.120 0.001 0.000 0.298 152 V C 1.085 176.888 176.094 -0.486 0.000 1.496 152 V CA 0.790 62.684 62.300 -0.677 0.000 1.044 152 V CB 0.199 31.574 31.823 -0.747 0.000 0.880 152 V HN 0.626 nan 8.190 nan 0.000 0.443 153 G N 1.381 110.013 108.800 -0.281 0.000 2.199 153 G HA2 -0.241 3.720 3.960 0.001 0.000 0.254 153 G HA3 -0.241 3.720 3.960 0.001 0.000 0.254 153 G C 0.098 175.112 174.900 0.189 0.000 0.982 153 G CA 0.451 45.475 45.100 -0.126 0.000 0.632 153 G HN 0.633 nan 8.290 nan 0.000 0.529 154 N N -0.579 118.297 118.700 0.293 0.000 2.406 154 N HA 0.486 5.226 4.740 0.001 0.000 0.283 154 N C 0.945 176.641 175.510 0.310 0.000 1.074 154 N CA 0.428 53.710 53.050 0.387 0.000 0.916 154 N CB 1.094 39.877 38.487 0.493 0.000 1.639 154 N HN 0.350 nan 8.380 nan 0.000 0.485 155 G N 0.595 109.525 108.800 0.217 0.000 2.985 155 G HA2 0.299 4.259 3.960 0.001 0.000 0.209 155 G HA3 0.299 4.259 3.960 0.001 0.000 0.209 155 G C 0.563 175.533 174.900 0.117 0.000 1.165 155 G CA 0.524 45.731 45.100 0.180 0.000 0.776 155 G HN 0.702 nan 8.290 nan 0.000 0.541 156 A N 0.056 122.920 122.820 0.073 0.000 2.259 156 A HA 0.671 4.992 4.320 0.001 0.000 0.278 156 A C 0.598 178.117 177.584 -0.109 0.000 1.107 156 A CA -0.521 51.491 52.037 -0.042 0.000 0.828 156 A CB 0.271 19.178 19.000 -0.156 0.000 1.111 156 A HN 0.232 nan 8.150 nan 0.000 0.498 157 M N 1.559 121.040 119.600 -0.198 0.000 2.260 157 M HA -0.024 4.456 4.480 0.001 0.000 0.348 157 M C 1.631 177.819 176.300 -0.187 0.000 1.342 157 M CA 0.389 55.556 55.300 -0.222 0.000 1.040 157 M CB 0.645 33.101 32.600 -0.239 0.000 1.810 157 M HN 0.971 nan 8.290 nan 0.000 0.453 158 S N 2.818 118.454 115.700 -0.108 0.000 2.383 158 S HA -0.053 4.418 4.470 0.001 0.000 0.227 158 S C 0.492 175.014 174.600 -0.129 0.000 1.026 158 S CA 0.886 59.026 58.200 -0.101 0.000 0.981 158 S CB -0.120 63.156 63.200 0.126 0.000 0.818 158 S HN 0.755 nan 8.310 nan 0.000 0.472 159 N N 0.661 119.308 118.700 -0.090 0.000 2.531 159 N HA 0.762 5.502 4.740 0.001 0.000 0.290 159 N C -0.812 174.638 175.510 -0.099 0.000 1.257 159 N CA -0.188 52.822 53.050 -0.066 0.000 0.863 159 N CB 1.218 39.668 38.487 -0.062 0.000 1.320 159 N HN 0.405 nan 8.380 nan 0.000 0.538 160 A N -0.006 122.768 122.820 -0.076 0.000 2.286 160 A HA 0.398 4.719 4.320 0.001 0.000 0.286 160 A C 1.255 178.774 177.584 -0.110 0.000 1.097 160 A CA -0.461 51.527 52.037 -0.081 0.000 0.821 160 A CB -0.154 18.819 19.000 -0.045 0.000 1.076 160 A HN 0.763 nan 8.150 nan 0.000 0.490 161 I N 0.331 120.811 120.570 -0.151 0.000 2.208 161 I HA -0.256 3.914 4.170 0.001 0.000 0.245 161 I C 1.308 177.176 176.117 -0.416 0.000 1.097 161 I CA 1.663 62.800 61.300 -0.271 0.000 1.363 161 I CB -0.266 37.550 38.000 -0.307 0.000 1.051 161 I HN 0.727 nan 8.210 nan 0.000 0.413 162 N N 0.345 118.843 118.700 -0.336 0.000 2.521 162 N HA -0.083 4.657 4.740 0.001 0.000 0.188 162 N C 1.309 176.806 175.510 -0.021 0.000 1.146 162 N CA 0.388 53.304 53.050 -0.224 0.000 0.893 162 N CB 0.064 38.452 38.487 -0.164 0.000 0.975 162 N HN 0.355 nan 8.380 nan 0.000 0.451 163 E N -0.239 119.959 120.200 -0.003 0.000 2.415 163 E HA 0.156 4.507 4.350 0.001 0.000 0.197 163 E C 1.355 178.088 176.600 0.223 0.000 1.007 163 E CA 0.004 56.491 56.400 0.145 0.000 0.890 163 E CB 0.280 29.979 29.700 -0.002 0.000 0.891 163 E HN 0.367 nan 8.360 nan 0.000 0.496 164 I N 1.675 122.302 120.570 0.095 0.000 2.264 164 I HA -0.279 3.891 4.170 0.001 0.000 0.248 164 I C 1.122 177.307 176.117 0.113 0.000 1.111 164 I CA 1.215 62.579 61.300 0.106 0.000 1.382 164 I CB -0.401 37.652 38.000 0.087 0.000 1.060 164 I HN 0.022 nan 8.210 nan 0.000 0.418 165 D N 0.938 121.412 120.400 0.122 0.000 2.411 165 D HA -0.124 4.517 4.640 0.001 0.000 0.226 165 D C 0.978 177.262 176.300 -0.025 0.000 0.988 165 D CA 0.837 54.881 54.000 0.073 0.000 0.938 165 D CB -0.308 40.550 40.800 0.097 0.000 0.883 165 D HN 0.413 nan 8.370 nan 0.000 0.525 166 N N -0.364 118.284 118.700 -0.086 0.000 2.232 166 N HA 0.016 4.756 4.740 0.001 0.000 0.240 166 N C -0.204 175.191 175.510 -0.192 0.000 1.307 166 N CA 0.076 52.947 53.050 -0.298 0.000 0.859 166 N CB 1.105 39.116 38.487 -0.794 0.000 1.260 166 N HN 0.156 nan 8.380 nan 0.000 0.501 167 T N -1.633 112.921 114.554 0.000 0.000 2.788 167 T HA 0.227 4.577 4.350 0.001 0.000 0.287 167 T C 0.708 175.419 174.700 0.017 0.000 1.007 167 T CA -0.065 62.068 62.100 0.056 0.000 1.005 167 T CB 1.666 70.591 68.868 0.095 0.000 1.012 167 T HN -0.097 nan 8.240 nan 0.000 0.530 168 D N -0.338 120.072 120.400 0.017 0.000 2.360 168 D HA 0.252 4.892 4.640 0.001 0.000 0.210 168 D C 0.113 176.435 176.300 0.035 0.000 1.047 168 D CA 0.232 54.237 54.000 0.007 0.000 0.854 168 D CB 0.565 41.355 40.800 -0.016 0.000 0.936 168 D HN 0.360 nan 8.370 nan 0.000 0.514 169 L N 0.579 121.843 121.223 0.068 0.000 2.611 169 L HA 0.195 4.535 4.340 0.001 0.000 0.260 169 L C -1.818 175.167 176.870 0.191 0.000 0.924 169 L CA -0.525 54.389 54.840 0.124 0.000 0.901 169 L CB 2.321 44.450 42.059 0.117 0.000 1.369 169 L HN -0.382 nan 8.230 nan 0.000 0.415 170 V N 4.722 124.764 119.914 0.213 0.000 2.277 170 V HA 0.239 4.360 4.120 0.001 0.000 0.269 170 V C -0.261 176.036 176.094 0.338 0.000 1.036 170 V CA -0.250 62.197 62.300 0.244 0.000 0.821 170 V CB 0.781 32.708 31.823 0.174 0.000 1.052 170 V HN 0.528 nan 8.190 nan 0.000 0.462 171 F N 5.876 125.964 119.950 0.230 0.000 2.541 171 F HA 0.369 4.897 4.527 0.001 0.000 0.347 171 F C 0.328 176.283 175.800 0.259 0.000 1.242 171 F CA -0.421 57.720 58.000 0.236 0.000 1.123 171 F CB 0.510 39.648 39.000 0.230 0.000 1.354 171 F HN 0.267 nan 8.300 nan 0.000 0.621 172 V N 7.412 127.346 119.914 0.035 0.000 2.432 172 V HA 0.164 4.285 4.120 0.001 0.000 0.271 172 V C -0.429 175.608 176.094 -0.096 0.000 1.046 172 V CA -0.447 61.893 62.300 0.067 0.000 0.945 172 V CB 0.742 32.606 31.823 0.068 0.000 0.992 172 V HN 0.515 nan 8.190 nan 0.000 0.471 173 F N 3.532 123.432 119.950 -0.083 0.000 2.539 173 F HA 0.673 5.200 4.527 0.001 0.000 0.328 173 F C 0.737 176.604 175.800 0.111 0.000 1.148 173 F CA -0.245 57.676 58.000 -0.132 0.000 0.940 173 F CB 1.523 40.375 39.000 -0.247 0.000 1.194 173 F HN 0.769 nan 8.300 nan 0.000 0.438 174 G N 5.290 114.026 108.800 -0.108 0.000 2.352 174 G HA2 -0.231 3.730 3.960 0.001 0.000 0.283 174 G HA3 -0.231 3.730 3.960 0.001 0.000 0.283 174 G C -1.286 173.828 174.900 0.357 0.000 0.946 174 G CA 0.897 46.069 45.100 0.120 0.000 1.317 174 G HN 1.432 nan 8.290 nan 0.000 0.478 175 Y N -0.345 120.016 120.300 0.102 0.000 2.393 175 Y HA 0.489 5.040 4.550 0.001 0.000 0.320 175 Y C -1.466 174.482 175.900 0.080 0.000 1.241 175 Y CA -2.054 56.135 58.100 0.148 0.000 1.122 175 Y CB 0.988 39.578 38.460 0.217 0.000 1.322 175 Y HN 0.181 nan 8.280 nan 0.000 0.441 176 N N 8.017 126.560 118.700 -0.261 0.000 2.936 176 N HA 0.437 5.177 4.740 0.001 0.000 0.243 176 N C -2.360 172.839 175.510 -0.518 0.000 1.149 176 N CA -2.650 50.200 53.050 -0.334 0.000 0.914 176 N CB 1.326 39.729 38.487 -0.140 0.000 1.179 176 N HN 0.351 nan 8.380 nan 0.000 0.502 177 P HA -0.092 nan 4.420 nan 0.000 0.219 177 P C 0.902 178.114 177.300 -0.146 0.000 1.146 177 P CA 0.784 63.604 63.100 -0.466 0.000 0.808 177 P CB 0.257 31.772 31.700 -0.307 0.000 0.779 178 A N -0.429 122.304 122.820 -0.145 0.000 2.019 178 A HA -0.181 4.139 4.320 0.001 0.000 0.219 178 A C 1.612 179.164 177.584 -0.054 0.000 1.164 178 A CA 2.093 54.087 52.037 -0.073 0.000 0.644 178 A CB -0.939 18.017 19.000 -0.074 0.000 0.805 178 A HN 0.104 nan 8.150 nan 0.000 0.449 179 D N -2.243 118.113 120.400 -0.072 0.000 2.473 179 D HA 0.122 4.762 4.640 0.001 0.000 0.230 179 D C 1.903 178.171 176.300 -0.053 0.000 1.097 179 D CA 0.926 54.897 54.000 -0.049 0.000 0.861 179 D CB 0.347 41.119 40.800 -0.047 0.000 1.114 179 D HN 0.348 nan 8.370 nan 0.000 0.500 180 S N -0.615 115.032 115.700 -0.089 0.000 2.427 180 S HA 0.054 4.525 4.470 0.001 0.000 0.224 180 S C 0.085 174.460 174.600 -0.374 0.000 1.047 180 S CA 0.370 58.451 58.200 -0.198 0.000 0.953 180 S CB 0.142 63.264 63.200 -0.131 0.000 0.824 180 S HN 0.286 nan 8.310 nan 0.000 0.502 181 H N -0.170 118.960 119.070 0.100 0.000 2.651 181 H HA 0.331 4.888 4.556 0.001 0.000 0.252 181 H C -2.487 172.891 175.328 0.084 0.000 1.365 181 H CA -1.345 54.780 56.048 0.128 0.000 1.539 181 H CB 1.103 30.977 29.762 0.187 0.000 1.621 181 H HN 0.031 nan 8.280 nan 0.000 0.526 182 P HA -0.180 nan 4.420 nan 0.000 0.217 182 P C 1.122 178.487 177.300 0.108 0.000 1.148 182 P CA 1.068 64.222 63.100 0.090 0.000 0.828 182 P CB 0.313 32.050 31.700 0.063 0.000 0.783 183 I N -1.849 118.812 120.570 0.152 0.000 2.617 183 I HA -0.118 4.052 4.170 0.001 0.000 0.256 183 I C 2.050 178.334 176.117 0.279 0.000 1.167 183 I CA 1.125 62.527 61.300 0.170 0.000 1.469 183 I CB -0.729 37.378 38.000 0.178 0.000 1.098 183 I HN -0.194 nan 8.210 nan 0.000 0.436 184 V N 0.196 120.261 119.914 0.253 0.000 2.591 184 V HA -0.115 4.005 4.120 0.001 0.000 0.249 184 V C 2.554 178.767 176.094 0.199 0.000 1.053 184 V CA 1.364 63.805 62.300 0.235 0.000 1.068 184 V CB -0.810 31.121 31.823 0.180 0.000 0.689 184 V HN 0.432 nan 8.190 nan 0.000 0.462 185 A N 0.876 123.781 122.820 0.141 0.000 1.858 185 A HA -0.211 4.109 4.320 0.001 0.000 0.216 185 A C 1.939 179.562 177.584 0.065 0.000 1.190 185 A CA 2.006 54.086 52.037 0.072 0.000 0.617 185 A CB -0.699 18.319 19.000 0.031 0.000 0.827 185 A HN 0.578 nan 8.150 nan 0.000 0.443 186 N N -0.161 118.568 118.700 0.047 0.000 2.519 186 N HA -0.122 4.619 4.740 0.001 0.000 0.186 186 N C 1.309 176.771 175.510 -0.081 0.000 1.062 186 N CA 1.111 54.144 53.050 -0.029 0.000 0.910 186 N CB -0.512 37.932 38.487 -0.070 0.000 0.958 186 N HN 0.653 nan 8.380 nan 0.000 0.445 187 H N -0.729 118.356 119.070 0.025 0.000 2.465 187 H HA 0.178 4.735 4.556 0.001 0.000 0.289 187 H C 1.843 177.188 175.328 0.029 0.000 1.022 187 H CA 0.380 56.441 56.048 0.021 0.000 1.340 187 H CB 0.327 30.101 29.762 0.020 0.000 1.437 187 H HN -0.013 nan 8.280 nan 0.000 0.539 188 V N 1.363 121.366 119.914 0.148 0.000 2.270 188 V HA -0.223 3.898 4.120 0.001 0.000 0.245 188 V C 2.592 178.724 176.094 0.064 0.000 1.043 188 V CA 1.452 63.814 62.300 0.104 0.000 1.014 188 V CB -0.451 31.425 31.823 0.087 0.000 0.645 188 V HN 0.262 nan 8.190 nan 0.000 0.447 189 I N 0.223 120.816 120.570 0.039 0.000 2.264 189 I HA -0.322 3.848 4.170 0.001 0.000 0.248 189 I C 2.291 178.414 176.117 0.009 0.000 1.111 189 I CA 2.025 63.335 61.300 0.016 0.000 1.382 189 I CB -0.513 37.487 38.000 -0.001 0.000 1.060 189 I HN 0.435 nan 8.210 nan 0.000 0.418 190 N N 0.279 118.981 118.700 0.002 0.000 2.043 190 N HA -0.216 4.524 4.740 0.001 0.000 0.193 190 N C 1.977 177.492 175.510 0.009 0.000 1.037 190 N CA 1.359 54.404 53.050 -0.008 0.000 0.851 190 N CB -0.115 38.359 38.487 -0.022 0.000 1.027 190 N HN 0.353 nan 8.380 nan 0.000 0.422 191 A N 1.281 124.120 122.820 0.032 0.000 1.873 191 A HA -0.262 4.058 4.320 0.001 0.000 0.218 191 A C 2.045 179.643 177.584 0.024 0.000 1.193 191 A CA 1.906 53.962 52.037 0.031 0.000 0.629 191 A CB -0.681 18.353 19.000 0.057 0.000 0.826 191 A HN 0.230 nan 8.150 nan 0.000 0.447 192 K N 0.265 120.684 120.400 0.031 0.000 2.044 192 K HA -0.187 4.133 4.320 0.001 0.000 0.210 192 K C 2.135 178.743 176.600 0.014 0.000 1.049 192 K CA 2.167 58.470 56.287 0.027 0.000 0.927 192 K CB -0.503 32.014 32.500 0.029 0.000 0.713 192 K HN 0.447 nan 8.250 nan 0.000 0.443 193 R N 0.168 120.672 120.500 0.007 0.000 2.091 193 R HA -0.078 4.262 4.340 0.001 0.000 0.238 193 R C 0.954 177.252 176.300 -0.004 0.000 1.136 193 R CA 1.844 57.943 56.100 -0.001 0.000 0.959 193 R CB -0.284 30.011 30.300 -0.007 0.000 0.856 193 R HN 0.247 nan 8.270 nan 0.000 0.437 194 N N -0.362 118.335 118.700 -0.006 0.000 2.501 194 N HA 0.039 4.780 4.740 0.001 0.000 0.195 194 N C 0.476 175.979 175.510 -0.010 0.000 1.213 194 N CA 1.097 54.139 53.050 -0.013 0.000 0.864 194 N CB 0.860 39.333 38.487 -0.024 0.000 0.999 194 N HN 0.545 nan 8.380 nan 0.000 0.454 195 G N -0.774 108.025 108.800 -0.000 0.000 2.157 195 G HA2 -0.244 3.717 3.960 0.001 0.000 0.248 195 G HA3 -0.244 3.717 3.960 0.001 0.000 0.248 195 G C 0.304 175.210 174.900 0.011 0.000 0.979 195 G CA 0.154 45.257 45.100 0.004 0.000 0.650 195 G HN 0.622 nan 8.290 nan 0.000 0.529 196 A N -0.235 122.595 122.820 0.017 0.000 2.366 196 A HA 0.699 5.019 4.320 0.001 0.000 0.249 196 A C 0.694 178.305 177.584 0.046 0.000 1.084 196 A CA 0.511 52.567 52.037 0.030 0.000 0.794 196 A CB 0.465 19.489 19.000 0.040 0.000 1.034 196 A HN 0.469 nan 8.150 nan 0.000 0.491 197 K N -0.227 120.210 120.400 0.062 0.000 2.098 197 K HA 0.715 5.035 4.320 0.001 0.000 0.244 197 K C -0.921 175.743 176.600 0.107 0.000 1.014 197 K CA -0.137 56.197 56.287 0.078 0.000 0.917 197 K CB 1.005 33.556 32.500 0.085 0.000 1.072 197 K HN 0.580 nan 8.250 nan 0.000 0.477 198 I N 1.883 122.523 120.570 0.115 0.000 2.644 198 I HA 0.353 4.524 4.170 0.001 0.000 0.291 198 I C -1.042 175.163 176.117 0.146 0.000 1.180 198 I CA -0.623 60.755 61.300 0.130 0.000 1.040 198 I CB 1.756 39.808 38.000 0.087 0.000 1.255 198 I HN 0.407 nan 8.210 nan 0.000 0.422 199 I N 6.182 126.868 120.570 0.194 0.000 2.466 199 I HA 0.486 4.656 4.170 0.001 0.000 0.289 199 I C -0.855 175.297 176.117 0.059 0.000 1.026 199 I CA -0.961 60.458 61.300 0.198 0.000 1.078 199 I CB 2.371 40.626 38.000 0.424 0.000 1.249 199 I HN 0.119 nan 8.210 nan 0.000 0.429 200 V N 4.958 124.843 119.914 -0.049 0.000 2.444 200 V HA 0.307 4.427 4.120 0.001 0.000 0.294 200 V C -0.490 175.425 176.094 -0.298 0.000 1.022 200 V CA -0.479 61.695 62.300 -0.209 0.000 0.850 200 V CB 1.702 33.355 31.823 -0.282 0.000 0.992 200 V HN 0.828 nan 8.190 nan 0.000 0.426 201 C N 4.194 123.267 119.300 -0.379 0.000 2.250 201 C HA 0.695 5.155 4.460 0.001 0.000 0.319 201 C C -0.258 174.438 174.990 -0.491 0.000 1.124 201 C CA -0.534 58.217 59.018 -0.446 0.000 1.527 201 C CB -0.931 26.391 27.740 -0.695 0.000 2.001 201 C HN 0.908 nan 8.230 nan 0.000 0.435 202 D N 2.649 122.879 120.400 -0.283 0.000 2.803 202 D HA 0.255 4.895 4.640 0.001 0.000 0.218 202 D C -2.255 174.084 176.300 0.065 0.000 1.245 202 D CA -1.095 52.816 54.000 -0.149 0.000 0.821 202 D CB 2.973 43.664 40.800 -0.181 0.000 1.626 202 D HN -0.055 nan 8.370 nan 0.000 0.487 203 P HA -0.051 nan 4.420 nan 0.000 0.214 203 P C -0.050 177.341 177.300 0.152 0.000 1.163 203 P CA 1.219 64.409 63.100 0.149 0.000 0.883 203 P CB 0.265 32.089 31.700 0.207 0.000 0.788 204 R N 0.286 120.824 120.500 0.064 0.000 2.738 204 R HA 0.150 4.491 4.340 0.001 0.000 0.268 204 R C 0.487 176.862 176.300 0.125 0.000 1.062 204 R CA 0.087 56.168 56.100 -0.032 0.000 1.158 204 R CB -0.025 30.089 30.300 -0.311 0.000 1.046 204 R HN 0.100 nan 8.270 nan 0.000 0.493 205 K N 3.270 123.722 120.400 0.087 0.000 2.363 205 K HA 0.190 4.510 4.320 0.001 0.000 0.240 205 K C 0.279 176.896 176.600 0.028 0.000 1.169 205 K CA -0.150 56.239 56.287 0.169 0.000 1.131 205 K CB -0.455 32.079 32.500 0.056 0.000 1.771 205 K HN 0.489 nan 8.250 nan 0.000 0.380 206 I N -2.234 118.321 120.570 -0.026 0.000 3.060 206 I HA 0.060 4.230 4.170 0.001 0.000 0.285 206 I C 1.369 177.450 176.117 -0.061 0.000 1.190 206 I CA -0.560 60.691 61.300 -0.082 0.000 1.363 206 I CB 0.756 38.683 38.000 -0.122 0.000 1.396 206 I HN 0.287 nan 8.210 nan 0.000 0.607 207 E N 2.357 122.518 120.200 -0.065 0.000 2.086 207 E HA -0.225 4.126 4.350 0.001 0.000 0.200 207 E C 1.991 178.562 176.600 -0.048 0.000 1.012 207 E CA 2.623 58.994 56.400 -0.050 0.000 0.812 207 E CB -0.510 29.159 29.700 -0.052 0.000 0.743 207 E HN 0.910 nan 8.360 nan 0.000 0.453 208 T N 1.154 115.665 114.554 -0.072 0.000 2.685 208 T HA -0.226 4.124 4.350 0.001 0.000 0.268 208 T C 1.964 176.630 174.700 -0.056 0.000 1.034 208 T CA 1.909 63.967 62.100 -0.071 0.000 1.149 208 T CB -0.453 68.351 68.868 -0.107 0.000 0.860 208 T HN 0.324 nan 8.240 nan 0.000 0.449 209 A N 1.442 124.218 122.820 -0.074 0.000 2.032 209 A HA -0.164 4.156 4.320 0.001 0.000 0.221 209 A C 2.314 179.920 177.584 0.037 0.000 1.165 209 A CA 1.850 53.866 52.037 -0.035 0.000 0.645 209 A CB -0.600 18.421 19.000 0.036 0.000 0.807 209 A HN 0.276 nan 8.150 nan 0.000 0.453 210 R N 0.591 121.103 120.500 0.021 0.000 2.096 210 R HA -0.061 4.279 4.340 0.001 0.000 0.235 210 R C 1.757 178.070 176.300 0.022 0.000 1.127 210 R CA 1.775 57.889 56.100 0.024 0.000 0.968 210 R CB -0.655 29.651 30.300 0.009 0.000 0.861 210 R HN 0.754 nan 8.270 nan 0.000 0.440 211 I N -2.346 118.233 120.570 0.014 0.000 3.684 211 I HA 0.354 4.524 4.170 0.001 0.000 0.304 211 I C 0.324 176.459 176.117 0.029 0.000 1.278 211 I CA -0.222 61.089 61.300 0.018 0.000 1.272 211 I CB -0.119 37.888 38.000 0.012 0.000 1.029 211 I HN -0.066 nan 8.210 nan 0.000 0.458 212 A N 1.641 124.481 122.820 0.033 0.000 2.362 212 A HA 0.214 4.534 4.320 0.001 0.000 0.276 212 A C 0.392 178.016 177.584 0.065 0.000 1.153 212 A CA -0.258 51.808 52.037 0.048 0.000 0.813 212 A CB 0.159 19.177 19.000 0.030 0.000 1.081 212 A HN 0.358 nan 8.150 nan 0.000 0.507 213 D N 1.526 121.970 120.400 0.073 0.000 2.144 213 D HA -0.046 4.595 4.640 0.001 0.000 0.199 213 D C 0.368 176.721 176.300 0.089 0.000 0.984 213 D CA 1.536 55.580 54.000 0.075 0.000 0.834 213 D CB -0.004 40.843 40.800 0.079 0.000 0.955 213 D HN 0.570 nan 8.370 nan 0.000 0.465 214 M N -0.350 119.316 119.600 0.109 0.000 2.204 214 M HA 0.223 4.704 4.480 0.001 0.000 0.293 214 M C -1.341 175.051 176.300 0.154 0.000 0.994 214 M CA -0.457 54.920 55.300 0.128 0.000 0.925 214 M CB 2.603 35.287 32.600 0.141 0.000 1.577 214 M HN -0.000 nan 8.290 nan 0.000 0.439 215 H N 4.010 123.102 119.070 0.036 0.000 2.476 215 H HA 0.544 5.101 4.556 0.001 0.000 0.328 215 H C -1.283 174.052 175.328 0.012 0.000 1.073 215 H CA -0.631 55.425 56.048 0.013 0.000 1.229 215 H CB 1.044 30.804 29.762 -0.003 0.000 1.432 215 H HN 0.662 nan 8.280 nan 0.000 0.477 216 I N 5.544 126.326 120.570 0.354 0.000 2.442 216 I HA 0.207 4.377 4.170 0.001 0.000 0.279 216 I C 0.281 176.531 176.117 0.222 0.000 1.081 216 I CA -0.407 61.021 61.300 0.213 0.000 1.197 216 I CB 1.012 39.085 38.000 0.121 0.000 1.394 216 I HN 0.709 nan 8.210 nan 0.000 0.488 217 A N 7.901 130.843 122.820 0.205 0.000 3.052 217 A HA 0.231 4.551 4.320 0.001 0.000 0.266 217 A C 0.617 178.232 177.584 0.051 0.000 1.855 217 A CA -0.315 51.794 52.037 0.119 0.000 1.473 217 A CB -0.918 18.039 19.000 -0.071 0.000 1.038 217 A HN 0.765 nan 8.150 nan 0.000 0.619 218 L N -1.121 120.120 121.223 0.030 0.000 2.453 218 L HA 0.271 4.611 4.340 0.001 0.000 0.272 218 L C 0.165 177.051 176.870 0.026 0.000 1.182 218 L CA -0.507 54.334 54.840 0.001 0.000 0.858 218 L CB 0.208 42.249 42.059 -0.031 0.000 1.120 218 L HN 0.307 nan 8.230 nan 0.000 0.474 219 K N 3.579 123.988 120.400 0.014 0.000 2.484 219 K HA 0.046 4.366 4.320 0.001 0.000 0.280 219 K C -0.061 176.607 176.600 0.113 0.000 1.013 219 K CA 0.059 56.381 56.287 0.058 0.000 1.029 219 K CB -0.004 32.511 32.500 0.026 0.000 0.902 219 K HN 0.708 nan 8.250 nan 0.000 0.481 220 N N 1.534 120.357 118.700 0.205 0.000 2.131 220 N HA -0.155 4.586 4.740 0.001 0.000 0.276 220 N C 0.873 176.617 175.510 0.391 0.000 1.295 220 N CA 1.032 54.288 53.050 0.343 0.000 0.818 220 N CB 0.189 38.893 38.487 0.362 0.000 1.049 220 N HN 0.904 nan 8.380 nan 0.000 0.484 221 G N 1.202 110.129 108.800 0.213 0.000 2.143 221 G HA2 -0.303 3.657 3.960 0.001 0.000 0.248 221 G HA3 -0.303 3.657 3.960 0.001 0.000 0.248 221 G C 0.484 175.485 174.900 0.167 0.000 0.991 221 G CA 0.485 45.540 45.100 -0.075 0.000 0.689 221 G HN 0.723 nan 8.290 nan 0.000 0.522 222 S N -0.886 114.834 115.700 0.032 0.000 2.601 222 S HA 0.231 4.702 4.470 0.001 0.000 0.244 222 S C 1.482 175.999 174.600 -0.138 0.000 1.001 222 S CA 0.436 58.500 58.200 -0.227 0.000 0.984 222 S CB -0.164 62.814 63.200 -0.370 0.000 0.842 222 S HN 0.482 nan 8.310 nan 0.000 0.474 223 N N 2.686 121.410 118.700 0.040 0.000 2.037 223 N HA -0.121 4.620 4.740 0.001 0.000 0.196 223 N C 1.486 177.067 175.510 0.118 0.000 1.034 223 N CA 1.890 55.034 53.050 0.158 0.000 0.861 223 N CB -0.362 38.237 38.487 0.186 0.000 1.039 223 N HN 0.424 nan 8.380 nan 0.000 0.427 224 I N 1.392 122.045 120.570 0.139 0.000 2.361 224 I HA -0.161 4.009 4.170 0.001 0.000 0.251 224 I C 2.572 178.677 176.117 -0.020 0.000 1.133 224 I CA 0.554 61.886 61.300 0.053 0.000 1.413 224 I CB -1.115 36.945 38.000 0.100 0.000 1.073 224 I HN 0.068 nan 8.210 nan 0.000 0.424 225 A N 1.380 124.183 122.820 -0.028 0.000 1.858 225 A HA -0.224 4.097 4.320 0.001 0.000 0.216 225 A C 2.328 179.894 177.584 -0.030 0.000 1.190 225 A CA 1.544 53.545 52.037 -0.061 0.000 0.617 225 A CB -0.918 17.832 19.000 -0.416 0.000 0.827 225 A HN 0.371 nan 8.150 nan 0.000 0.443 226 L N -0.271 120.934 121.223 -0.031 0.000 2.046 226 L HA -0.103 4.237 4.340 0.001 0.000 0.208 226 L C 2.293 179.205 176.870 0.070 0.000 1.077 226 L CA 1.629 56.495 54.840 0.043 0.000 0.747 226 L CB -0.494 41.629 42.059 0.106 0.000 0.896 226 L HN 0.409 nan 8.230 nan 0.000 0.432 227 L N -0.351 120.900 121.223 0.047 0.000 1.994 227 L HA -0.241 4.100 4.340 0.001 0.000 0.208 227 L C 2.387 179.241 176.870 -0.027 0.000 1.071 227 L CA 1.513 56.358 54.840 0.008 0.000 0.745 227 L CB -0.890 41.129 42.059 -0.067 0.000 0.892 227 L HN 0.356 nan 8.230 nan 0.000 0.431 228 N N 0.297 118.906 118.700 -0.152 0.000 2.149 228 N HA -0.192 4.548 4.740 0.001 0.000 0.188 228 N C 1.792 177.279 175.510 -0.038 0.000 1.019 228 N CA 1.600 54.501 53.050 -0.247 0.000 0.857 228 N CB -0.436 37.597 38.487 -0.757 0.000 0.997 228 N HN 0.363 nan 8.380 nan 0.000 0.426 229 A N 0.901 123.737 122.820 0.027 0.000 1.972 229 A HA -0.055 4.265 4.320 0.001 0.000 0.219 229 A C 2.273 179.928 177.584 0.118 0.000 1.169 229 A CA 1.104 53.188 52.037 0.078 0.000 0.635 229 A CB -0.393 18.632 19.000 0.042 0.000 0.810 229 A HN 0.203 nan 8.150 nan 0.000 0.446 230 M N -0.879 118.782 119.600 0.103 0.000 2.156 230 M HA -0.040 4.441 4.480 0.001 0.000 0.264 230 M C 2.317 178.707 176.300 0.151 0.000 1.067 230 M CA 1.296 56.667 55.300 0.119 0.000 1.131 230 M CB -0.490 32.163 32.600 0.088 0.000 1.368 230 M HN 0.490 nan 8.290 nan 0.000 0.416 231 G N -0.987 107.905 108.800 0.154 0.000 2.408 231 G HA2 -0.268 3.693 3.960 0.001 0.000 0.217 231 G HA3 -0.268 3.693 3.960 0.001 0.000 0.217 231 G C 1.167 176.161 174.900 0.157 0.000 1.150 231 G CA 1.253 46.483 45.100 0.218 0.000 0.776 231 G HN 0.517 nan 8.290 nan 0.000 0.542 232 H N -0.068 119.016 119.070 0.024 0.000 2.319 232 H HA -0.062 4.495 4.556 0.001 0.000 0.299 232 H C 2.565 177.928 175.328 0.059 0.000 1.092 232 H CA 1.909 57.964 56.048 0.012 0.000 1.302 232 H CB -0.050 29.725 29.762 0.022 0.000 1.373 232 H HN 0.114 nan 8.280 nan 0.000 0.497 233 V N 0.750 120.834 119.914 0.283 0.000 2.295 233 V HA -0.246 3.874 4.120 0.001 0.000 0.246 233 V C 2.601 178.794 176.094 0.164 0.000 1.049 233 V CA 1.958 64.389 62.300 0.220 0.000 1.024 233 V CB -0.514 31.421 31.823 0.187 0.000 0.648 233 V HN 0.484 nan 8.190 nan 0.000 0.447 234 I N -0.518 120.162 120.570 0.184 0.000 2.264 234 I HA -0.289 3.881 4.170 0.001 0.000 0.248 234 I C 2.215 178.504 176.117 0.286 0.000 1.111 234 I CA 1.887 63.323 61.300 0.226 0.000 1.382 234 I CB -0.204 37.952 38.000 0.259 0.000 1.060 234 I HN 0.276 nan 8.210 nan 0.000 0.418 235 I N -0.047 120.647 120.570 0.206 0.000 2.339 235 I HA -0.217 3.953 4.170 0.001 0.000 0.245 235 I C 2.567 178.781 176.117 0.163 0.000 1.096 235 I CA 0.875 62.301 61.300 0.210 0.000 1.408 235 I CB -0.327 37.670 38.000 -0.005 0.000 1.092 235 I HN 0.210 nan 8.210 nan 0.000 0.423 236 E N 1.492 121.698 120.200 0.010 0.000 2.070 236 E HA -0.269 4.081 4.350 0.001 0.000 0.197 236 E C 1.425 178.067 176.600 0.070 0.000 1.004 236 E CA 1.559 57.948 56.400 -0.018 0.000 0.805 236 E CB 0.061 29.725 29.700 -0.059 0.000 0.744 236 E HN 0.504 nan 8.360 nan 0.000 0.451 237 E N 0.007 120.269 120.200 0.102 0.000 2.476 237 E HA 0.006 4.357 4.350 0.001 0.000 0.191 237 E C -0.234 176.421 176.600 0.093 0.000 1.064 237 E CA -0.085 56.370 56.400 0.092 0.000 0.866 237 E CB 0.110 29.864 29.700 0.090 0.000 0.952 237 E HN 0.267 nan 8.360 nan 0.000 0.492 238 N N 0.507 119.294 118.700 0.145 0.000 2.725 238 N HA -0.210 4.531 4.740 0.001 0.000 0.249 238 N C 0.430 175.934 175.510 -0.010 0.000 1.103 238 N CA 0.593 53.687 53.050 0.074 0.000 0.707 238 N CB -1.485 36.996 38.487 -0.010 0.000 1.043 238 N HN 0.325 nan 8.380 nan 0.000 0.553 239 L N -0.600 120.689 121.223 0.111 0.000 2.558 239 L HA 0.040 4.380 4.340 0.001 0.000 0.225 239 L C 1.231 178.161 176.870 0.100 0.000 1.128 239 L CA -0.107 54.777 54.840 0.073 0.000 0.868 239 L CB -0.276 41.843 42.059 0.100 0.000 1.006 239 L HN 0.273 nan 8.230 nan 0.000 0.454 240 Y N -1.827 118.516 120.300 0.072 0.000 2.296 240 Y HA 0.216 4.767 4.550 0.001 0.000 0.343 240 Y C 0.358 176.281 175.900 0.040 0.000 1.292 240 Y CA -1.308 56.840 58.100 0.081 0.000 1.490 240 Y CB 0.068 38.610 38.460 0.138 0.000 1.359 240 Y HN -0.161 nan 8.280 nan 0.000 0.599 241 D N 1.417 121.957 120.400 0.233 0.000 2.494 241 D HA 0.131 4.771 4.640 0.001 0.000 0.217 241 D C 0.259 176.656 176.300 0.161 0.000 1.153 241 D CA -0.075 54.001 54.000 0.126 0.000 0.954 241 D CB 0.515 41.409 40.800 0.157 0.000 1.034 241 D HN 0.711 nan 8.370 nan 0.000 0.518 242 K N 1.633 121.997 120.400 -0.059 0.000 1.991 242 K HA -0.184 4.137 4.320 0.001 0.000 0.212 242 K C 1.992 178.607 176.600 0.025 0.000 1.049 242 K CA 1.640 57.898 56.287 -0.048 0.000 0.932 242 K CB -0.020 32.368 32.500 -0.187 0.000 0.717 242 K HN 0.358 nan 8.250 nan 0.000 0.441 243 A N 1.184 124.022 122.820 0.030 0.000 1.873 243 A HA -0.236 4.084 4.320 0.001 0.000 0.218 243 A C 2.109 179.749 177.584 0.094 0.000 1.193 243 A CA 1.728 53.795 52.037 0.050 0.000 0.629 243 A CB -0.951 18.080 19.000 0.053 0.000 0.826 243 A HN 0.365 nan 8.150 nan 0.000 0.447 244 F N 0.653 120.615 119.950 0.019 0.000 2.046 244 F HA -0.204 4.323 4.527 0.001 0.000 0.297 244 F C 2.381 178.223 175.800 0.070 0.000 1.123 244 F CA 2.119 60.148 58.000 0.048 0.000 1.199 244 F CB -0.661 38.373 39.000 0.057 0.000 0.972 244 F HN 0.034 nan 8.300 nan 0.000 0.474 245 V N 0.609 120.621 119.914 0.165 0.000 2.250 245 V HA -0.421 3.699 4.120 0.001 0.000 0.250 245 V C 2.690 178.760 176.094 -0.039 0.000 1.060 245 V CA 2.273 64.615 62.300 0.071 0.000 1.030 245 V CB -1.635 30.196 31.823 0.013 0.000 0.643 245 V HN 0.544 nan 8.190 nan 0.000 0.445 246 A N 0.038 122.834 122.820 -0.040 0.000 1.930 246 A HA -0.158 4.163 4.320 0.001 0.000 0.217 246 A C 2.446 180.001 177.584 -0.047 0.000 1.175 246 A CA 2.148 54.164 52.037 -0.034 0.000 0.627 246 A CB -0.530 18.459 19.000 -0.018 0.000 0.815 246 A HN 0.709 nan 8.150 nan 0.000 0.443 247 S N -1.370 114.280 115.700 -0.083 0.000 2.458 247 S HA 0.101 4.571 4.470 0.001 0.000 0.223 247 S C 1.618 176.129 174.600 -0.148 0.000 1.019 247 S CA 0.664 58.808 58.200 -0.094 0.000 0.937 247 S CB -0.054 63.102 63.200 -0.073 0.000 0.788 247 S HN 0.551 nan 8.310 nan 0.000 0.511 248 R N 1.160 121.489 120.500 -0.284 0.000 2.531 248 R HA 0.232 4.572 4.340 0.001 0.000 0.316 248 R C 0.064 176.284 176.300 -0.134 0.000 0.955 248 R CA 0.528 56.463 56.100 -0.274 0.000 1.120 248 R CB 1.267 31.207 30.300 -0.600 0.000 1.361 248 R HN 0.589 nan 8.270 nan 0.000 0.534 249 T N -2.184 112.301 114.554 -0.116 0.000 2.940 249 T HA 0.532 4.883 4.350 0.001 0.000 0.288 249 T C -0.705 174.037 174.700 0.069 0.000 1.045 249 T CA -0.706 61.389 62.100 -0.008 0.000 1.018 249 T CB 2.757 71.685 68.868 0.099 0.000 1.151 249 T HN 0.006 nan 8.240 nan 0.000 0.529 250 E N -0.873 119.398 120.200 0.117 0.000 2.314 250 E HA 0.536 4.887 4.350 0.001 0.000 0.272 250 E C 0.492 177.210 176.600 0.197 0.000 0.884 250 E CA -0.128 56.341 56.400 0.116 0.000 0.753 250 E CB 1.107 30.836 29.700 0.049 0.000 1.213 250 E HN 1.348 nan 8.360 nan 0.000 0.432 251 G N 3.181 112.078 108.800 0.161 0.000 2.136 251 G HA2 -0.328 3.633 3.960 0.001 0.000 0.242 251 G HA3 -0.328 3.633 3.960 0.001 0.000 0.242 251 G C 0.310 175.257 174.900 0.079 0.000 0.989 251 G CA 0.320 45.509 45.100 0.149 0.000 0.682 251 G HN 0.531 nan 8.290 nan 0.000 0.522 252 F N 1.524 121.369 119.950 -0.174 0.000 2.051 252 F HA -0.016 4.511 4.527 0.001 0.000 0.296 252 F C 2.425 178.021 175.800 -0.340 0.000 1.122 252 F CA 2.361 60.006 58.000 -0.592 0.000 1.201 252 F CB -0.084 38.653 39.000 -0.438 0.000 0.978 252 F HN 0.190 nan 8.300 nan 0.000 0.472 253 E N 0.695 120.737 120.200 -0.264 0.000 2.068 253 E HA -0.256 4.094 4.350 0.001 0.000 0.207 253 E C 2.079 178.492 176.600 -0.311 0.000 1.032 253 E CA 1.865 58.074 56.400 -0.319 0.000 0.839 253 E CB -0.860 28.782 29.700 -0.096 0.000 0.758 253 E HN 0.544 nan 8.360 nan 0.000 0.457 254 E N -0.144 119.952 120.200 -0.172 0.000 2.204 254 E HA -0.182 4.168 4.350 0.001 0.000 0.195 254 E C 2.024 178.522 176.600 -0.169 0.000 0.990 254 E CA 0.711 57.035 56.400 -0.126 0.000 0.821 254 E CB -0.368 29.310 29.700 -0.037 0.000 0.750 254 E HN 0.429 nan 8.360 nan 0.000 0.477 255 Y N 1.549 121.632 120.300 -0.362 0.000 2.220 255 Y HA -0.083 4.467 4.550 0.001 0.000 0.291 255 Y C 2.533 178.152 175.900 -0.468 0.000 1.129 255 Y CA 1.537 59.406 58.100 -0.385 0.000 1.161 255 Y CB -0.071 38.126 38.460 -0.439 0.000 0.997 255 Y HN -0.140 nan 8.280 nan 0.000 0.522 256 R N 0.543 120.654 120.500 -0.648 0.000 2.096 256 R HA -0.248 4.093 4.340 0.001 0.000 0.240 256 R C 2.019 178.046 176.300 -0.455 0.000 1.139 256 R CA 2.164 57.848 56.100 -0.693 0.000 0.952 256 R CB -0.110 29.677 30.300 -0.856 0.000 0.854 256 R HN 0.207 nan 8.270 nan 0.000 0.436 257 K N 0.461 120.651 120.400 -0.349 0.000 2.009 257 K HA -0.114 4.207 4.320 0.001 0.000 0.210 257 K C 1.903 178.385 176.600 -0.196 0.000 1.049 257 K CA 1.889 58.041 56.287 -0.225 0.000 0.929 257 K CB -0.279 32.122 32.500 -0.165 0.000 0.714 257 K HN 0.269 nan 8.250 nan 0.000 0.440 258 I N 0.748 121.168 120.570 -0.250 0.000 2.614 258 I HA -0.194 3.976 4.170 0.001 0.000 0.258 258 I C 1.969 178.000 176.117 -0.142 0.000 1.189 258 I CA 0.906 62.099 61.300 -0.180 0.000 1.462 258 I CB -0.469 37.378 38.000 -0.255 0.000 1.092 258 I HN 0.022 nan 8.210 nan 0.000 0.442 259 V N -2.113 117.607 119.914 -0.323 0.000 2.878 259 V HA -0.042 4.078 4.120 0.001 0.000 0.250 259 V C 2.133 178.278 176.094 0.085 0.000 1.075 259 V CA 0.951 63.139 62.300 -0.187 0.000 1.096 259 V CB -0.470 31.113 31.823 -0.401 0.000 0.724 259 V HN 0.361 nan 8.190 nan 0.000 0.467 260 E N 1.467 121.640 120.200 -0.046 0.000 2.130 260 E HA -0.165 4.185 4.350 0.001 0.000 0.196 260 E C 2.112 178.823 176.600 0.185 0.000 0.998 260 E CA 1.755 58.155 56.400 0.001 0.000 0.806 260 E CB -0.508 29.144 29.700 -0.080 0.000 0.738 260 E HN 0.709 nan 8.360 nan 0.000 0.459 261 G N 0.112 108.986 108.800 0.123 0.000 2.434 261 G HA2 -0.233 3.727 3.960 0.001 0.000 0.214 261 G HA3 -0.233 3.727 3.960 0.001 0.000 0.214 261 G C 0.243 175.161 174.900 0.029 0.000 1.202 261 G CA 0.331 45.460 45.100 0.049 0.000 0.788 261 G HN 0.237 nan 8.290 nan 0.000 0.539 262 Y N 3.031 123.319 120.300 -0.020 0.000 2.547 262 Y HA 0.219 4.770 4.550 0.001 0.000 0.338 262 Y C 1.513 177.245 175.900 -0.280 0.000 1.239 262 Y CA -0.145 57.901 58.100 -0.090 0.000 1.897 262 Y CB -1.275 37.144 38.460 -0.069 0.000 1.808 262 Y HN 0.091 nan 8.280 nan 0.000 0.428 263 T N -0.906 113.427 114.554 -0.369 0.000 2.899 263 T HA 0.151 4.501 4.350 0.001 0.000 0.295 263 T C -1.602 172.865 174.700 -0.388 0.000 1.033 263 T CA -2.024 59.576 62.100 -0.833 0.000 1.084 263 T CB 1.627 70.224 68.868 -0.452 0.000 0.979 263 T HN 0.125 nan 8.240 nan 0.000 0.532 264 P HA -0.143 nan 4.420 nan 0.000 0.216 264 P C 1.285 178.525 177.300 -0.099 0.000 1.154 264 P CA 1.236 64.262 63.100 -0.124 0.000 0.865 264 P CB 0.059 31.722 31.700 -0.062 0.000 0.789 265 E N -0.498 119.637 120.200 -0.109 0.000 2.077 265 E HA -0.151 4.199 4.350 0.001 0.000 0.193 265 E C 2.105 178.649 176.600 -0.093 0.000 0.989 265 E CA 1.791 58.142 56.400 -0.083 0.000 0.800 265 E CB -1.040 28.618 29.700 -0.069 0.000 0.746 265 E HN 0.316 nan 8.360 nan 0.000 0.452 266 S N -0.313 115.314 115.700 -0.122 0.000 2.500 266 S HA -0.091 4.380 4.470 0.001 0.000 0.239 266 S C 1.832 176.357 174.600 -0.126 0.000 0.989 266 S CA 0.955 59.075 58.200 -0.132 0.000 0.951 266 S CB -0.191 62.900 63.200 -0.182 0.000 0.759 266 S HN 0.090 nan 8.310 nan 0.000 0.523 267 V N 0.393 120.246 119.914 -0.102 0.000 2.949 267 V HA 0.085 4.205 4.120 0.001 0.000 0.245 267 V C 2.314 178.348 176.094 -0.100 0.000 1.086 267 V CA 0.892 63.136 62.300 -0.094 0.000 1.097 267 V CB -1.011 30.782 31.823 -0.049 0.000 0.762 267 V HN 0.321 nan 8.190 nan 0.000 0.470 268 E N 1.386 121.540 120.200 -0.076 0.000 2.332 268 E HA -0.354 3.996 4.350 0.001 0.000 0.243 268 E C 1.723 178.282 176.600 -0.069 0.000 1.088 268 E CA 2.702 59.065 56.400 -0.061 0.000 1.048 268 E CB -0.277 29.392 29.700 -0.050 0.000 0.911 268 E HN 0.650 nan 8.360 nan 0.000 0.487 269 D N -0.859 119.496 120.400 -0.076 0.000 2.123 269 D HA -0.062 4.578 4.640 0.001 0.000 0.200 269 D C 2.147 178.382 176.300 -0.108 0.000 0.976 269 D CA 0.859 54.815 54.000 -0.073 0.000 0.831 269 D CB -0.221 40.545 40.800 -0.056 0.000 0.974 269 D HN 0.283 nan 8.370 nan 0.000 0.469 270 I N 1.158 121.622 120.570 -0.177 0.000 2.163 270 I HA -0.235 3.936 4.170 0.001 0.000 0.240 270 I C 2.441 178.384 176.117 -0.290 0.000 1.081 270 I CA 1.647 62.757 61.300 -0.316 0.000 1.353 270 I CB -0.478 37.180 38.000 -0.570 0.000 1.054 270 I HN 0.112 nan 8.210 nan 0.000 0.407 271 T N -1.710 112.706 114.554 -0.230 0.000 2.951 271 T HA 0.046 4.396 4.350 0.001 0.000 0.268 271 T C 1.663 176.314 174.700 -0.083 0.000 1.073 271 T CA 0.738 62.745 62.100 -0.156 0.000 1.134 271 T CB -0.243 68.565 68.868 -0.100 0.000 0.884 271 T HN 0.568 nan 8.240 nan 0.000 0.479 272 G N 0.546 109.303 108.800 -0.072 0.000 2.153 272 G HA2 -0.196 3.764 3.960 0.001 0.000 0.252 272 G HA3 -0.196 3.764 3.960 0.001 0.000 0.252 272 G C 0.026 174.909 174.900 -0.027 0.000 0.994 272 G CA 0.141 45.218 45.100 -0.039 0.000 0.698 272 G HN 0.784 nan 8.290 nan 0.000 0.521 273 V N 0.807 120.704 119.914 -0.028 0.000 2.715 273 V HA 0.754 4.875 4.120 0.001 0.000 0.310 273 V C 0.805 176.893 176.094 -0.010 0.000 1.054 273 V CA -0.236 62.059 62.300 -0.009 0.000 0.928 273 V CB 1.980 33.808 31.823 0.009 0.000 1.007 273 V HN 0.922 nan 8.190 nan 0.000 0.437 274 S N 2.692 118.392 115.700 -0.001 0.000 2.565 274 S HA 0.477 4.948 4.470 0.001 0.000 0.274 274 S C 1.351 175.954 174.600 0.005 0.000 1.309 274 S CA 0.065 58.264 58.200 -0.002 0.000 1.043 274 S CB 1.496 64.697 63.200 0.001 0.000 0.939 274 S HN 1.284 nan 8.310 nan 0.000 0.504 275 A N 3.330 126.147 122.820 -0.005 0.000 1.971 275 A HA -0.203 4.118 4.320 0.001 0.000 0.222 275 A C 2.465 180.060 177.584 0.018 0.000 1.182 275 A CA 2.583 54.619 52.037 -0.003 0.000 0.649 275 A CB -1.836 17.155 19.000 -0.015 0.000 0.818 275 A HN 1.385 nan 8.150 nan 0.000 0.458 276 S N -0.185 115.528 115.700 0.021 0.000 2.343 276 S HA -0.241 4.229 4.470 0.001 0.000 0.219 276 S C 1.733 176.360 174.600 0.045 0.000 1.033 276 S CA 1.423 59.642 58.200 0.032 0.000 1.014 276 S CB -0.760 62.456 63.200 0.027 0.000 0.915 276 S HN 0.680 nan 8.310 nan 0.000 0.435 277 E N 1.395 121.622 120.200 0.045 0.000 2.070 277 E HA -0.144 4.206 4.350 0.001 0.000 0.197 277 E C 2.146 178.794 176.600 0.080 0.000 1.004 277 E CA 1.681 58.119 56.400 0.064 0.000 0.805 277 E CB -0.570 29.166 29.700 0.061 0.000 0.744 277 E HN 0.577 nan 8.360 nan 0.000 0.451 278 I N 0.710 121.322 120.570 0.071 0.000 2.194 278 I HA -0.340 3.831 4.170 0.001 0.000 0.246 278 I C 2.616 178.788 176.117 0.091 0.000 1.093 278 I CA 1.352 62.702 61.300 0.083 0.000 1.355 278 I CB -0.343 37.691 38.000 0.057 0.000 1.046 278 I HN 0.102 nan 8.210 nan 0.000 0.413 279 R N 0.230 120.777 120.500 0.078 0.000 2.062 279 R HA -0.209 4.131 4.340 0.001 0.000 0.231 279 R C 2.344 178.696 176.300 0.088 0.000 1.136 279 R CA 1.571 57.722 56.100 0.085 0.000 0.948 279 R CB -0.418 29.924 30.300 0.070 0.000 0.845 279 R HN 0.450 nan 8.270 nan 0.000 0.430 280 Q N 0.327 120.175 119.800 0.081 0.000 2.226 280 Q HA -0.120 4.221 4.340 0.001 0.000 0.204 280 Q C 1.776 177.836 176.000 0.101 0.000 0.975 280 Q CA 1.480 57.332 55.803 0.082 0.000 0.866 280 Q CB 0.061 28.843 28.738 0.073 0.000 0.915 280 Q HN 0.349 nan 8.270 nan 0.000 0.440 281 A N 0.620 123.511 122.820 0.118 0.000 1.874 281 A HA 0.075 4.396 4.320 0.001 0.000 0.214 281 A C 2.277 179.937 177.584 0.128 0.000 1.189 281 A CA 1.201 53.328 52.037 0.149 0.000 0.615 281 A CB -0.872 18.243 19.000 0.193 0.000 0.830 281 A HN 0.516 nan 8.150 nan 0.000 0.443 282 A N -0.159 122.731 122.820 0.116 0.000 1.877 282 A HA -0.150 4.170 4.320 0.001 0.000 0.216 282 A C 2.258 179.922 177.584 0.133 0.000 1.186 282 A CA 1.461 53.569 52.037 0.119 0.000 0.620 282 A CB -0.515 18.562 19.000 0.127 0.000 0.822 282 A HN 0.483 nan 8.150 nan 0.000 0.443 283 R N -1.418 119.148 120.500 0.110 0.000 2.083 283 R HA -0.144 4.196 4.340 0.001 0.000 0.237 283 R C 2.350 178.694 176.300 0.073 0.000 1.137 283 R CA 1.761 57.914 56.100 0.088 0.000 0.951 283 R CB -0.425 29.920 30.300 0.076 0.000 0.851 283 R HN 0.620 nan 8.270 nan 0.000 0.434 284 M N -0.562 119.091 119.600 0.087 0.000 2.059 284 M HA -0.249 4.231 4.480 0.001 0.000 0.259 284 M C 2.219 178.558 176.300 0.066 0.000 1.072 284 M CA 1.766 57.114 55.300 0.080 0.000 1.117 284 M CB -0.425 32.239 32.600 0.108 0.000 1.320 284 M HN 0.092 nan 8.290 nan 0.000 0.408 285 Y N 0.764 121.033 120.300 -0.051 0.000 2.069 285 Y HA -0.315 4.236 4.550 0.001 0.000 0.278 285 Y C 2.183 178.037 175.900 -0.075 0.000 1.175 285 Y CA 2.245 60.270 58.100 -0.125 0.000 1.134 285 Y CB -0.756 37.500 38.460 -0.340 0.000 0.965 285 Y HN 0.311 nan 8.280 nan 0.000 0.498 286 A N -0.616 122.137 122.820 -0.113 0.000 2.070 286 A HA -0.188 4.132 4.320 0.001 0.000 0.220 286 A C 2.005 179.508 177.584 -0.136 0.000 1.159 286 A CA 1.695 53.645 52.037 -0.145 0.000 0.656 286 A CB -0.566 18.460 19.000 0.043 0.000 0.800 286 A HN 0.612 nan 8.150 nan 0.000 0.453 287 Q N -0.499 119.247 119.800 -0.090 0.000 2.354 287 Q HA 0.353 4.694 4.340 0.001 0.000 0.203 287 Q C 0.975 176.923 176.000 -0.087 0.000 0.933 287 Q CA 0.628 56.392 55.803 -0.065 0.000 0.901 287 Q CB -0.246 28.480 28.738 -0.020 0.000 1.007 287 Q HN 0.602 nan 8.270 nan 0.000 0.495 288 A N 0.760 123.506 122.820 -0.123 0.000 2.520 288 A HA -0.029 4.291 4.320 0.001 0.000 0.245 288 A C 0.557 178.067 177.584 -0.124 0.000 1.072 288 A CA 0.095 52.068 52.037 -0.107 0.000 0.761 288 A CB 0.276 19.207 19.000 -0.115 0.000 1.004 288 A HN 0.293 nan 8.150 nan 0.000 0.499 289 K N 0.995 121.346 120.400 -0.082 0.000 2.103 289 K HA -0.058 4.263 4.320 0.001 0.000 0.207 289 K C 0.126 176.666 176.600 -0.099 0.000 1.048 289 K CA 1.581 57.820 56.287 -0.080 0.000 0.930 289 K CB -0.056 32.412 32.500 -0.053 0.000 0.716 289 K HN 0.533 nan 8.250 nan 0.000 0.444 290 S N -0.756 114.892 115.700 -0.086 0.000 2.619 290 S HA 0.606 5.076 4.470 0.001 0.000 0.280 290 S C -1.527 173.032 174.600 -0.069 0.000 1.150 290 S CA -0.933 57.219 58.200 -0.080 0.000 0.978 290 S CB 2.109 65.297 63.200 -0.021 0.000 1.041 290 S HN 0.271 nan 8.310 nan 0.000 0.485 291 A N 2.044 124.807 122.820 -0.095 0.000 2.374 291 A HA 0.918 5.238 4.320 0.001 0.000 0.305 291 A C -0.696 176.966 177.584 0.129 0.000 1.053 291 A CA -0.691 51.335 52.037 -0.019 0.000 0.726 291 A CB 1.347 20.183 19.000 -0.274 0.000 1.229 291 A HN 1.053 nan 8.150 nan 0.000 0.431 292 A N 2.240 125.195 122.820 0.224 0.000 2.342 292 A HA 0.750 5.070 4.320 0.001 0.000 0.323 292 A C -0.619 177.177 177.584 0.354 0.000 1.125 292 A CA -0.441 51.740 52.037 0.240 0.000 0.785 292 A CB 0.542 19.632 19.000 0.149 0.000 1.221 292 A HN 0.755 nan 8.150 nan 0.000 0.463 293 I N 3.087 123.872 120.570 0.358 0.000 2.304 293 I HA 0.231 4.401 4.170 0.001 0.000 0.291 293 I C -0.777 175.505 176.117 0.275 0.000 1.018 293 I CA -0.004 61.560 61.300 0.439 0.000 1.260 293 I CB 0.774 39.097 38.000 0.538 0.000 1.390 293 I HN 0.460 nan 8.210 nan 0.000 0.475 294 L N 7.106 128.490 121.223 0.269 0.000 2.287 294 L HA 0.524 4.864 4.340 0.001 0.000 0.287 294 L C -0.782 176.239 176.870 0.252 0.000 1.022 294 L CA -0.592 54.327 54.840 0.131 0.000 0.814 294 L CB 0.893 43.096 42.059 0.240 0.000 1.217 294 L HN 0.637 nan 8.230 nan 0.000 0.420 295 W N 2.676 123.940 121.300 -0.060 0.000 3.032 295 W HA 0.916 5.577 4.660 0.001 0.000 0.341 295 W C -0.291 176.130 176.519 -0.163 0.000 1.202 295 W CA -0.636 56.717 57.345 0.013 0.000 1.132 295 W CB 1.013 30.539 29.460 0.110 0.000 1.465 295 W HN 0.491 nan 8.180 nan 0.000 0.576 296 G N 0.090 109.184 108.800 0.489 0.000 3.433 296 G HA2 0.229 4.189 3.960 0.001 0.000 0.173 296 G HA3 0.229 4.189 3.960 0.001 0.000 0.173 296 G C 0.079 175.185 174.900 0.345 0.000 1.196 296 G CA -0.381 44.964 45.100 0.407 0.000 1.062 296 G HN 0.388 nan 8.290 nan 0.000 0.699 297 M N 1.650 121.435 119.600 0.308 0.000 2.558 297 M HA 0.181 4.662 4.480 0.001 0.000 0.255 297 M C 2.341 178.767 176.300 0.211 0.000 1.113 297 M CA 0.741 56.153 55.300 0.186 0.000 1.097 297 M CB -0.912 31.774 32.600 0.143 0.000 1.426 297 M HN 0.489 nan 8.290 nan 0.000 0.488 298 G N -0.425 108.555 108.800 0.301 0.000 2.679 298 G HA2 0.136 4.097 3.960 0.001 0.000 0.212 298 G HA3 0.136 4.097 3.960 0.001 0.000 0.212 298 G C 1.481 176.695 174.900 0.523 0.000 1.137 298 G CA 0.396 45.722 45.100 0.376 0.000 0.787 298 G HN 0.345 nan 8.290 nan 0.000 0.534 299 V N 0.545 120.694 119.914 0.391 0.000 2.735 299 V HA -0.034 4.086 4.120 0.001 0.000 0.234 299 V C 3.099 179.337 176.094 0.241 0.000 1.121 299 V CA 1.923 64.396 62.300 0.288 0.000 1.160 299 V CB -0.347 31.482 31.823 0.010 0.000 0.908 299 V HN 0.462 nan 8.190 nan 0.000 0.495 300 T N -0.912 113.713 114.554 0.118 0.000 2.746 300 T HA -0.267 4.083 4.350 0.001 0.000 0.267 300 T C 1.370 176.132 174.700 0.104 0.000 1.039 300 T CA 1.384 63.520 62.100 0.060 0.000 1.142 300 T CB -0.471 68.347 68.868 -0.084 0.000 0.866 300 T HN 0.470 nan 8.240 nan 0.000 0.444 301 Q N 0.856 120.707 119.800 0.085 0.000 2.292 301 Q HA 0.312 4.652 4.340 0.001 0.000 0.235 301 Q C -1.270 174.669 176.000 -0.103 0.000 0.910 301 Q CA -0.124 55.691 55.803 0.020 0.000 0.952 301 Q CB -0.408 28.357 28.738 0.045 0.000 1.089 301 Q HN 0.498 nan 8.270 nan 0.000 0.431 302 F N -0.648 119.368 119.950 0.109 0.000 2.547 302 F HA 0.088 4.616 4.527 0.001 0.000 0.316 302 F C 0.538 176.393 175.800 0.092 0.000 1.121 302 F CA -1.702 56.372 58.000 0.124 0.000 0.911 302 F CB 0.884 39.952 39.000 0.114 0.000 1.179 302 F HN 0.101 nan 8.300 nan 0.000 0.443 303 Y N 0.968 121.366 120.300 0.163 0.000 2.298 303 Y HA -0.181 4.369 4.550 0.001 0.000 0.287 303 Y C 1.371 177.296 175.900 0.042 0.000 1.164 303 Y CA 1.646 59.781 58.100 0.059 0.000 1.229 303 Y CB -0.290 38.176 38.460 0.009 0.000 0.977 303 Y HN 0.633 nan 8.280 nan 0.000 0.538 304 Q N 0.723 120.222 119.800 -0.502 0.000 2.228 304 Q HA 0.148 4.488 4.340 0.001 0.000 0.211 304 Q C 1.719 177.609 176.000 -0.185 0.000 0.890 304 Q CA 0.344 55.833 55.803 -0.525 0.000 0.953 304 Q CB -0.074 28.373 28.738 -0.484 0.000 1.053 304 Q HN 0.750 nan 8.270 nan 0.000 0.471 305 G N -0.488 108.275 108.800 -0.062 0.000 2.448 305 G HA2 -0.129 3.832 3.960 0.001 0.000 0.218 305 G HA3 -0.129 3.832 3.960 0.001 0.000 0.218 305 G C 1.284 176.159 174.900 -0.041 0.000 1.135 305 G CA 0.257 45.357 45.100 -0.001 0.000 0.784 305 G HN 0.271 nan 8.290 nan 0.000 0.543 306 V N 0.591 120.481 119.914 -0.040 0.000 2.548 306 V HA -0.079 4.041 4.120 0.001 0.000 0.249 306 V C 2.662 178.743 176.094 -0.021 0.000 1.055 306 V CA 1.881 64.163 62.300 -0.030 0.000 1.065 306 V CB -0.164 31.638 31.823 -0.035 0.000 0.681 306 V HN 0.284 nan 8.190 nan 0.000 0.462 307 E N 0.281 120.484 120.200 0.005 0.000 2.106 307 E HA -0.128 4.223 4.350 0.001 0.000 0.192 307 E C 2.314 178.922 176.600 0.014 0.000 0.984 307 E CA 1.654 58.133 56.400 0.131 0.000 0.806 307 E CB -0.602 29.142 29.700 0.073 0.000 0.750 307 E HN 0.572 nan 8.360 nan 0.000 0.458 308 T N 0.128 114.626 114.554 -0.094 0.000 2.777 308 T HA -0.097 4.253 4.350 0.001 0.000 0.266 308 T C 2.014 176.496 174.700 -0.362 0.000 1.040 308 T CA 1.130 63.110 62.100 -0.199 0.000 1.141 308 T CB -0.282 68.480 68.868 -0.176 0.000 0.868 308 T HN -0.031 nan 8.240 nan 0.000 0.444 309 V N 1.598 121.291 119.914 -0.368 0.000 2.295 309 V HA -0.142 3.978 4.120 0.001 0.000 0.246 309 V C 2.794 178.700 176.094 -0.313 0.000 1.049 309 V CA 1.447 63.419 62.300 -0.548 0.000 1.024 309 V CB -0.506 31.183 31.823 -0.222 0.000 0.648 309 V HN 0.304 nan 8.190 nan 0.000 0.447 310 R N -0.136 120.305 120.500 -0.099 0.000 2.105 310 R HA -0.132 4.209 4.340 0.001 0.000 0.239 310 R C 2.675 178.993 176.300 0.031 0.000 1.135 310 R CA 1.698 57.819 56.100 0.034 0.000 0.967 310 R CB -0.903 29.539 30.300 0.235 0.000 0.861 310 R HN 0.520 nan 8.270 nan 0.000 0.442 311 S N 0.696 116.383 115.700 -0.022 0.000 2.355 311 S HA -0.033 4.438 4.470 0.001 0.000 0.222 311 S C 2.084 176.598 174.600 -0.144 0.000 1.031 311 S CA 0.769 58.934 58.200 -0.058 0.000 0.993 311 S CB -0.069 63.066 63.200 -0.109 0.000 0.859 311 S HN 0.185 nan 8.310 nan 0.000 0.453 312 L N 0.724 121.772 121.223 -0.291 0.000 1.994 312 L HA -0.112 4.228 4.340 0.001 0.000 0.208 312 L C 2.743 179.524 176.870 -0.149 0.000 1.071 312 L CA 1.701 56.354 54.840 -0.313 0.000 0.745 312 L CB -1.061 40.639 42.059 -0.597 0.000 0.892 312 L HN 0.313 nan 8.230 nan 0.000 0.431 313 T N -1.102 113.379 114.554 -0.121 0.000 2.737 313 T HA -0.214 4.136 4.350 0.001 0.000 0.269 313 T C 2.122 176.714 174.700 -0.180 0.000 1.040 313 T CA 1.621 63.698 62.100 -0.038 0.000 1.142 313 T CB -0.202 68.651 68.868 -0.025 0.000 0.861 313 T HN 0.258 nan 8.240 nan 0.000 0.456 314 S N 1.105 116.655 115.700 -0.251 0.000 2.359 314 S HA -0.023 4.447 4.470 0.001 0.000 0.224 314 S C 2.016 176.418 174.600 -0.330 0.000 1.035 314 S CA 0.964 58.874 58.200 -0.483 0.000 1.018 314 S CB -0.514 62.436 63.200 -0.416 0.000 0.876 314 S HN 0.387 nan 8.310 nan 0.000 0.448 315 L N 1.085 122.244 121.223 -0.107 0.000 1.990 315 L HA -0.225 4.115 4.340 0.001 0.000 0.213 315 L C 2.823 179.782 176.870 0.149 0.000 1.072 315 L CA 1.450 56.313 54.840 0.039 0.000 0.755 315 L CB -0.822 41.182 42.059 -0.092 0.000 0.889 315 L HN 0.341 nan 8.230 nan 0.000 0.432 316 A N -0.379 122.515 122.820 0.124 0.000 1.908 316 A HA -0.258 4.063 4.320 0.001 0.000 0.218 316 A C 2.319 179.930 177.584 0.045 0.000 1.181 316 A CA 1.965 54.110 52.037 0.180 0.000 0.627 316 A CB -0.499 18.608 19.000 0.178 0.000 0.818 316 A HN 0.351 nan 8.150 nan 0.000 0.445 317 M N -1.553 117.999 119.600 -0.080 0.000 2.065 317 M HA -0.163 4.317 4.480 0.001 0.000 0.259 317 M C 2.202 178.565 176.300 0.105 0.000 1.071 317 M CA 1.659 56.918 55.300 -0.069 0.000 1.109 317 M CB -0.551 31.651 32.600 -0.663 0.000 1.313 317 M HN 0.431 nan 8.290 nan 0.000 0.408 318 L N 0.616 121.862 121.223 0.038 0.000 2.189 318 L HA -0.180 4.160 4.340 0.001 0.000 0.214 318 L C 2.279 179.322 176.870 0.287 0.000 1.097 318 L CA 2.065 57.123 54.840 0.362 0.000 0.764 318 L CB -0.683 41.645 42.059 0.448 0.000 0.900 318 L HN 0.478 nan 8.230 nan 0.000 0.436 319 T N -4.943 109.696 114.554 0.142 0.000 3.054 319 T HA 0.391 4.741 4.350 0.001 0.000 0.255 319 T C 1.330 175.924 174.700 -0.177 0.000 1.035 319 T CA 0.181 62.286 62.100 0.009 0.000 0.941 319 T CB 0.032 68.853 68.868 -0.080 0.000 1.026 319 T HN 0.463 nan 8.240 nan 0.000 0.533 320 G N 2.509 111.097 108.800 -0.354 0.000 2.168 320 G HA2 -0.268 3.692 3.960 0.001 0.000 0.257 320 G HA3 -0.268 3.692 3.960 0.001 0.000 0.257 320 G C 0.260 174.719 174.900 -0.736 0.000 0.997 320 G CA -0.013 44.426 45.100 -1.100 0.000 0.708 320 G HN 0.560 nan 8.290 nan 0.000 0.520 321 N N 0.332 118.813 118.700 -0.365 0.000 3.091 321 N HA 0.395 5.135 4.740 0.001 0.000 0.301 321 N C 0.038 175.506 175.510 -0.070 0.000 1.325 321 N CA 0.680 53.617 53.050 -0.188 0.000 1.143 321 N CB 0.064 38.502 38.487 -0.081 0.000 1.450 321 N HN 0.531 nan 8.380 nan 0.000 0.542 322 L N -1.901 119.260 121.223 -0.104 0.000 2.556 322 L HA 0.442 4.782 4.340 0.001 0.000 0.257 322 L C 0.862 177.832 176.870 0.166 0.000 0.955 322 L CA -0.820 54.128 54.840 0.180 0.000 0.850 322 L CB 2.200 44.555 42.059 0.494 0.000 1.398 322 L HN 0.205 nan 8.230 nan 0.000 0.412 323 G N 1.373 110.314 108.800 0.235 0.000 2.175 323 G HA2 -0.224 3.736 3.960 0.001 0.000 0.244 323 G HA3 -0.224 3.736 3.960 0.001 0.000 0.244 323 G C -0.222 174.688 174.900 0.016 0.000 0.982 323 G CA 0.491 45.721 45.100 0.216 0.000 0.641 323 G HN 0.681 nan 8.290 nan 0.000 0.527 324 K N -0.183 120.002 120.400 -0.359 0.000 2.477 324 K HA 0.772 5.093 4.320 0.001 0.000 0.255 324 K C -3.077 172.909 176.600 -1.024 0.000 0.952 324 K CA -2.336 53.527 56.287 -0.707 0.000 0.826 324 K CB 2.980 35.286 32.500 -0.323 0.000 1.331 324 K HN 0.020 nan 8.250 nan 0.000 0.437 325 P HA -0.055 nan 4.420 nan 0.000 0.270 325 P C -0.769 176.095 177.300 -0.727 0.000 1.223 325 P CA 0.386 62.906 63.100 -0.967 0.000 0.785 325 P CB 0.003 31.166 31.700 -0.896 0.000 0.923 326 H N -1.456 117.527 119.070 -0.144 0.000 2.713 326 H HA -0.145 4.411 4.556 0.001 0.000 0.311 326 H C 0.439 175.723 175.328 -0.074 0.000 1.175 326 H CA 1.030 57.031 56.048 -0.080 0.000 1.143 326 H CB -2.278 27.448 29.762 -0.060 0.000 1.434 326 H HN 0.750 nan 8.280 nan 0.000 0.418 327 A N -1.152 121.634 122.820 -0.058 0.000 5.168 327 A HA 0.846 5.167 4.320 0.001 0.000 0.202 327 A C 0.926 178.516 177.584 0.009 0.000 0.857 327 A CA 0.508 52.532 52.037 -0.021 0.000 0.757 327 A CB 0.546 19.494 19.000 -0.086 0.000 1.957 327 A HN 1.542 nan 8.150 nan 0.000 0.959 328 G N -2.408 106.419 108.800 0.045 0.000 2.725 328 G HA2 0.277 4.237 3.960 0.001 0.000 0.220 328 G HA3 0.277 4.237 3.960 0.001 0.000 0.220 328 G C -0.647 174.340 174.900 0.146 0.000 1.357 328 G CA -0.107 45.057 45.100 0.108 0.000 0.866 328 G HN 1.815 nan 8.290 nan 0.000 0.548 329 V N 2.019 122.015 119.914 0.137 0.000 2.444 329 V HA 0.572 4.692 4.120 0.001 0.000 0.294 329 V C -0.488 175.494 176.094 -0.187 0.000 1.022 329 V CA -0.919 61.442 62.300 0.103 0.000 0.850 329 V CB 1.601 33.585 31.823 0.269 0.000 0.992 329 V HN 0.663 nan 8.190 nan 0.000 0.426 330 N N 7.407 125.868 118.700 -0.398 0.000 2.776 330 N HA 0.314 5.054 4.740 0.001 0.000 0.245 330 N C -2.901 172.079 175.510 -0.882 0.000 1.121 330 N CA -1.113 51.630 53.050 -0.512 0.000 0.852 330 N CB 2.258 40.587 38.487 -0.264 0.000 1.142 330 N HN 0.398 nan 8.380 nan 0.000 0.514 331 P HA 0.098 nan 4.420 nan 0.000 0.280 331 P C 0.124 177.031 177.300 -0.655 0.000 1.386 331 P CA -0.236 62.265 63.100 -0.998 0.000 0.899 331 P CB 0.820 32.212 31.700 -0.514 0.000 1.098 332 V N 5.848 125.357 119.914 -0.675 0.000 2.390 332 V HA 0.026 4.146 4.120 0.001 0.000 0.260 332 V C 1.375 177.119 176.094 -0.584 0.000 1.043 332 V CA -0.262 61.677 62.300 -0.601 0.000 1.047 332 V CB -0.830 30.593 31.823 -0.667 0.000 1.066 332 V HN 0.443 nan 8.190 nan 0.000 0.481 333 R N 3.863 124.049 120.500 -0.523 0.000 2.698 333 R HA 0.110 4.450 4.340 0.001 0.000 0.266 333 R C 1.442 177.706 176.300 -0.060 0.000 1.026 333 R CA 0.511 56.351 56.100 -0.435 0.000 1.102 333 R CB -0.026 30.147 30.300 -0.211 0.000 0.978 333 R HN 0.685 nan 8.270 nan 0.000 0.436 334 G N 1.811 110.661 108.800 0.084 0.000 2.518 334 G HA2 -0.115 3.845 3.960 0.001 0.000 0.213 334 G HA3 -0.115 3.845 3.960 0.001 0.000 0.213 334 G C 0.093 175.174 174.900 0.301 0.000 1.226 334 G CA -0.061 45.214 45.100 0.292 0.000 0.822 334 G HN 0.482 nan 8.290 nan 0.000 0.546 335 Q N 0.967 120.902 119.800 0.225 0.000 2.373 335 Q HA 0.081 4.422 4.340 0.001 0.000 0.255 335 Q C 1.381 177.401 176.000 0.033 0.000 0.980 335 Q CA 0.320 56.250 55.803 0.213 0.000 0.882 335 Q CB 0.835 29.681 28.738 0.180 0.000 1.249 335 Q HN 0.677 nan 8.270 nan 0.000 0.438 336 N N 1.706 120.339 118.700 -0.112 0.000 2.089 336 N HA -0.327 4.413 4.740 0.001 0.000 0.198 336 N C 0.832 176.132 175.510 -0.351 0.000 1.017 336 N CA 2.189 55.076 53.050 -0.272 0.000 0.880 336 N CB -0.078 38.104 38.487 -0.509 0.000 1.042 336 N HN 0.473 nan 8.380 nan 0.000 0.446 337 N N -1.381 117.074 118.700 -0.409 0.000 2.299 337 N HA 0.103 4.844 4.740 0.001 0.000 0.246 337 N C 0.583 176.046 175.510 -0.079 0.000 1.254 337 N CA -0.184 52.674 53.050 -0.320 0.000 0.879 337 N CB 0.618 38.743 38.487 -0.604 0.000 1.214 337 N HN 0.237 nan 8.380 nan 0.000 0.510 338 V N 0.257 120.160 119.914 -0.018 0.000 2.515 338 V HA -0.180 3.940 4.120 0.001 0.000 0.250 338 V C 2.160 178.313 176.094 0.098 0.000 1.058 338 V CA 2.099 64.434 62.300 0.057 0.000 1.064 338 V CB -0.104 31.768 31.823 0.082 0.000 0.675 338 V HN 0.382 nan 8.190 nan 0.000 0.461 339 Q N 0.878 120.730 119.800 0.086 0.000 2.050 339 Q HA -0.004 4.336 4.340 0.001 0.000 0.202 339 Q C 2.104 178.228 176.000 0.207 0.000 0.980 339 Q CA 2.561 58.451 55.803 0.145 0.000 0.840 339 Q CB -1.253 27.536 28.738 0.085 0.000 0.898 339 Q HN 0.580 nan 8.270 nan 0.000 0.424 340 G N 0.298 109.200 108.800 0.170 0.000 2.480 340 G HA2 -0.275 3.686 3.960 0.001 0.000 0.216 340 G HA3 -0.275 3.686 3.960 0.001 0.000 0.216 340 G C 1.553 176.578 174.900 0.208 0.000 1.200 340 G CA 1.596 46.833 45.100 0.228 0.000 0.782 340 G HN 0.599 nan 8.290 nan 0.000 0.554 341 A N -0.157 122.761 122.820 0.162 0.000 1.927 341 A HA -0.184 4.136 4.320 0.001 0.000 0.220 341 A C 2.624 180.280 177.584 0.120 0.000 1.185 341 A CA 2.096 54.217 52.037 0.140 0.000 0.639 341 A CB -1.117 17.951 19.000 0.113 0.000 0.820 341 A HN 0.467 nan 8.150 nan 0.000 0.451 342 C N -0.507 118.881 119.300 0.147 0.000 2.436 342 C HA -0.096 4.365 4.460 0.001 0.000 0.277 342 C C 2.348 177.322 174.990 -0.027 0.000 1.241 342 C CA 0.983 60.091 59.018 0.150 0.000 1.721 342 C CB -1.235 26.691 27.740 0.310 0.000 2.043 342 C HN 0.625 nan 8.230 nan 0.000 0.472 343 D N 0.731 121.157 120.400 0.043 0.000 2.190 343 D HA -0.131 4.509 4.640 0.001 0.000 0.200 343 D C 1.982 178.252 176.300 -0.050 0.000 0.992 343 D CA 1.206 55.112 54.000 -0.156 0.000 0.854 343 D CB -0.326 40.516 40.800 0.070 0.000 0.936 343 D HN 0.412 nan 8.370 nan 0.000 0.462 344 M N -1.206 118.436 119.600 0.070 0.000 2.447 344 M HA 0.128 4.608 4.480 0.001 0.000 0.264 344 M C 1.398 177.751 176.300 0.089 0.000 1.095 344 M CA 0.744 56.141 55.300 0.162 0.000 1.125 344 M CB -0.185 32.549 32.600 0.224 0.000 1.389 344 M HN 0.150 nan 8.290 nan 0.000 0.459 345 G N 0.287 109.067 108.800 -0.034 0.000 2.135 345 G HA2 -0.108 3.852 3.960 0.001 0.000 0.183 345 G HA3 -0.108 3.852 3.960 0.001 0.000 0.183 345 G C 0.454 175.333 174.900 -0.035 0.000 1.004 345 G CA 0.109 45.165 45.100 -0.073 0.000 0.677 345 G HN 0.643 nan 8.290 nan 0.000 0.512 346 A N 0.333 123.157 122.820 0.006 0.000 2.916 346 A HA 0.701 5.021 4.320 0.001 0.000 0.254 346 A C 0.595 178.194 177.584 0.025 0.000 1.544 346 A CA 0.322 52.373 52.037 0.022 0.000 1.224 346 A CB -0.218 18.814 19.000 0.053 0.000 1.012 346 A HN 0.691 nan 8.150 nan 0.000 0.636 347 L N -0.043 121.175 121.223 -0.008 0.000 2.401 347 L HA 0.409 4.750 4.340 0.001 0.000 0.266 347 L C -1.791 175.053 176.870 -0.044 0.000 0.991 347 L CA -2.113 52.728 54.840 0.002 0.000 0.818 347 L CB 2.991 45.057 42.059 0.011 0.000 1.321 347 L HN 0.049 nan 8.230 nan 0.000 0.413 348 P HA -0.049 nan 4.420 nan 0.000 0.252 348 P C -0.199 177.035 177.300 -0.110 0.000 1.265 348 P CA 0.684 63.745 63.100 -0.066 0.000 0.775 348 P CB 0.148 31.837 31.700 -0.019 0.000 1.128 349 D N -2.286 118.052 120.400 -0.104 0.000 2.516 349 D HA 0.046 4.686 4.640 0.001 0.000 0.241 349 D C -0.215 175.982 176.300 -0.172 0.000 1.246 349 D CA 0.052 53.994 54.000 -0.097 0.000 0.808 349 D CB -0.069 40.749 40.800 0.031 0.000 1.147 349 D HN -0.042 nan 8.370 nan 0.000 0.527 350 T N -1.064 113.312 114.554 -0.297 0.000 2.903 350 T HA 0.500 4.850 4.350 0.001 0.000 0.299 350 T C -0.828 173.598 174.700 -0.456 0.000 1.093 350 T CA -0.638 61.174 62.100 -0.481 0.000 1.002 350 T CB 1.641 70.172 68.868 -0.561 0.000 1.127 350 T HN -0.152 nan 8.240 nan 0.000 0.488 351 Y N 1.452 121.500 120.300 -0.420 0.000 2.344 351 Y HA 0.475 5.026 4.550 0.001 0.000 0.330 351 Y C -1.928 173.750 175.900 -0.370 0.000 1.330 351 Y CA -2.241 55.556 58.100 -0.505 0.000 1.479 351 Y CB 0.238 38.046 38.460 -1.087 0.000 1.428 351 Y HN 0.389 nan 8.280 nan 0.000 0.544 352 P HA 0.106 nan 4.420 nan 0.000 0.272 352 P C 0.366 177.544 177.300 -0.203 0.000 1.240 352 P CA 0.879 63.959 63.100 -0.033 0.000 0.791 352 P CB 0.674 32.523 31.700 0.248 0.000 0.978 353 G N 0.202 108.711 108.800 -0.485 0.000 2.162 353 G HA2 -0.317 3.644 3.960 0.001 0.000 0.260 353 G HA3 -0.317 3.644 3.960 0.001 0.000 0.260 353 G C 0.055 174.692 174.900 -0.438 0.000 0.976 353 G CA 0.245 44.850 45.100 -0.826 0.000 0.655 353 G HN 0.423 nan 8.290 nan 0.000 0.533 354 Y N -1.284 118.831 120.300 -0.308 0.000 3.689 354 Y HA -0.211 4.339 4.550 0.001 0.000 0.221 354 Y C 0.952 176.582 175.900 -0.450 0.000 1.247 354 Y CA 1.390 59.242 58.100 -0.412 0.000 1.671 354 Y CB -2.145 36.158 38.460 -0.262 0.000 1.521 354 Y HN 0.659 nan 8.280 nan 0.000 0.632 355 Q N 0.183 119.839 119.800 -0.240 0.000 2.509 355 Q HA 0.336 4.677 4.340 0.001 0.000 0.230 355 Q C -0.510 175.430 176.000 -0.100 0.000 1.089 355 Q CA -0.762 55.023 55.803 -0.030 0.000 0.901 355 Q CB 0.467 29.294 28.738 0.149 0.000 1.208 355 Q HN 0.315 nan 8.270 nan 0.000 0.529 356 Y N 0.310 120.603 120.300 -0.012 0.000 2.702 356 Y HA -0.156 4.395 4.550 0.001 0.000 0.336 356 Y C 1.822 177.605 175.900 -0.196 0.000 1.235 356 Y CA -0.119 57.902 58.100 -0.132 0.000 1.492 356 Y CB 0.241 38.650 38.460 -0.085 0.000 1.308 356 Y HN 0.443 nan 8.280 nan 0.000 0.589 357 V N 0.896 120.613 119.914 -0.328 0.000 2.594 357 V HA -0.286 3.835 4.120 0.001 0.000 0.253 357 V C 1.889 177.941 176.094 -0.070 0.000 1.069 357 V CA 1.913 63.980 62.300 -0.388 0.000 1.082 357 V CB -0.788 30.701 31.823 -0.557 0.000 0.680 357 V HN 0.907 nan 8.190 nan 0.000 0.469 358 K N 1.255 121.647 120.400 -0.014 0.000 2.103 358 K HA -0.194 4.127 4.320 0.001 0.000 0.207 358 K C 1.121 177.748 176.600 0.045 0.000 1.048 358 K CA 1.764 58.061 56.287 0.016 0.000 0.930 358 K CB -0.550 31.956 32.500 0.009 0.000 0.716 358 K HN 0.513 nan 8.250 nan 0.000 0.444 359 D N 2.246 122.694 120.400 0.080 0.000 2.382 359 D HA 0.035 4.675 4.640 0.001 0.000 0.259 359 D C -1.376 174.980 176.300 0.093 0.000 1.224 359 D CA -2.099 51.954 54.000 0.089 0.000 0.894 359 D CB 1.465 42.341 40.800 0.127 0.000 1.127 359 D HN 0.079 nan 8.370 nan 0.000 0.487 360 P HA -0.180 nan 4.420 nan 0.000 0.216 360 P C 1.043 178.375 177.300 0.053 0.000 1.150 360 P CA 1.052 64.185 63.100 0.055 0.000 0.837 360 P CB 0.217 31.938 31.700 0.035 0.000 0.786 361 A N 0.179 123.028 122.820 0.049 0.000 1.933 361 A HA -0.193 4.128 4.320 0.001 0.000 0.218 361 A C 2.211 179.819 177.584 0.040 0.000 1.175 361 A CA 1.694 53.749 52.037 0.029 0.000 0.628 361 A CB -1.219 17.794 19.000 0.023 0.000 0.814 361 A HN 0.139 nan 8.150 nan 0.000 0.444 362 N N -0.267 118.500 118.700 0.111 0.000 2.106 362 N HA -0.096 4.644 4.740 0.001 0.000 0.188 362 N C 1.854 177.482 175.510 0.197 0.000 1.029 362 N CA 1.238 54.412 53.050 0.206 0.000 0.848 362 N CB -0.437 38.253 38.487 0.339 0.000 1.007 362 N HN 0.494 nan 8.380 nan 0.000 0.423 363 R N 1.059 121.677 120.500 0.196 0.000 2.091 363 R HA -0.072 4.268 4.340 0.001 0.000 0.238 363 R C 2.032 178.324 176.300 -0.014 0.000 1.136 363 R CA 1.073 57.248 56.100 0.124 0.000 0.959 363 R CB -0.119 30.264 30.300 0.139 0.000 0.856 363 R HN 0.385 nan 8.270 nan 0.000 0.437 364 E N 0.761 120.952 120.200 -0.015 0.000 2.085 364 E HA -0.260 4.090 4.350 0.001 0.000 0.194 364 E C 1.868 178.388 176.600 -0.134 0.000 0.994 364 E CA 1.369 57.734 56.400 -0.058 0.000 0.801 364 E CB 0.107 29.783 29.700 -0.041 0.000 0.743 364 E HN 0.176 nan 8.360 nan 0.000 0.453 365 K N -0.249 120.047 120.400 -0.173 0.000 1.973 365 K HA -0.163 4.157 4.320 0.001 0.000 0.212 365 K C 2.043 178.328 176.600 -0.524 0.000 1.047 365 K CA 1.740 57.830 56.287 -0.329 0.000 0.937 365 K CB -0.324 31.942 32.500 -0.390 0.000 0.721 365 K HN 0.028 nan 8.250 nan 0.000 0.440 366 F N 0.988 120.550 119.950 -0.647 0.000 2.126 366 F HA -0.201 4.327 4.527 0.001 0.000 0.299 366 F C 2.486 177.682 175.800 -1.007 0.000 1.096 366 F CA 1.422 58.731 58.000 -1.151 0.000 1.255 366 F CB -0.613 37.326 39.000 -1.768 0.000 0.997 366 F HN 0.223 nan 8.300 nan 0.000 0.479 367 A N -0.178 122.405 122.820 -0.394 0.000 1.877 367 A HA -0.257 4.063 4.320 0.001 0.000 0.216 367 A C 2.212 179.732 177.584 -0.106 0.000 1.186 367 A CA 2.001 53.935 52.037 -0.171 0.000 0.620 367 A CB -0.802 18.160 19.000 -0.063 0.000 0.822 367 A HN 0.369 nan 8.150 nan 0.000 0.443 368 K N -0.319 119.993 120.400 -0.146 0.000 1.991 368 K HA -0.130 4.191 4.320 0.001 0.000 0.212 368 K C 2.205 178.762 176.600 -0.073 0.000 1.049 368 K CA 1.526 57.756 56.287 -0.095 0.000 0.932 368 K CB -0.448 31.979 32.500 -0.121 0.000 0.717 368 K HN 0.330 nan 8.250 nan 0.000 0.441 369 A N 0.808 123.527 122.820 -0.168 0.000 1.873 369 A HA -0.183 4.137 4.320 0.001 0.000 0.218 369 A C 1.641 179.349 177.584 0.206 0.000 1.193 369 A CA 1.718 53.714 52.037 -0.069 0.000 0.629 369 A CB -1.106 17.760 19.000 -0.223 0.000 0.826 369 A HN 0.620 nan 8.150 nan 0.000 0.447 370 W N -0.577 120.769 121.300 0.077 0.000 3.077 370 W HA 0.356 5.017 4.660 0.001 0.000 0.245 370 W C 1.533 178.177 176.519 0.209 0.000 1.316 370 W CA 0.060 57.516 57.345 0.184 0.000 1.537 370 W CB -1.526 28.036 29.460 0.169 0.000 1.131 370 W HN 0.668 nan 8.180 nan 0.000 0.695 371 G N 1.026 109.986 108.800 0.267 0.000 2.323 371 G HA2 -0.195 3.765 3.960 0.001 0.000 0.292 371 G HA3 -0.195 3.765 3.960 0.001 0.000 0.292 371 G C -0.367 174.655 174.900 0.203 0.000 1.040 371 G CA 0.270 45.472 45.100 0.169 0.000 0.942 371 G HN 0.107 nan 8.290 nan 0.000 0.506 372 V N -0.976 119.061 119.914 0.204 0.000 2.864 372 V HA 0.501 4.621 4.120 0.001 0.000 0.314 372 V C 1.377 177.531 176.094 0.099 0.000 1.073 372 V CA 0.143 62.555 62.300 0.186 0.000 0.956 372 V CB 1.901 33.874 31.823 0.251 0.000 1.023 372 V HN 0.476 nan 8.190 nan 0.000 0.435 373 E N 1.470 121.720 120.200 0.083 0.000 2.046 373 E HA 0.020 4.370 4.350 0.001 0.000 0.190 373 E C 0.099 176.726 176.600 0.044 0.000 0.982 373 E CA 0.819 57.250 56.400 0.052 0.000 0.800 373 E CB 0.327 30.055 29.700 0.046 0.000 0.756 373 E HN 0.673 nan 8.360 nan 0.000 0.449 374 S N -0.402 115.332 115.700 0.057 0.000 2.548 374 S HA 0.445 4.915 4.470 0.001 0.000 0.276 374 S C -1.027 173.617 174.600 0.073 0.000 1.129 374 S CA -0.760 57.473 58.200 0.055 0.000 0.931 374 S CB 1.660 64.890 63.200 0.051 0.000 1.068 374 S HN 0.131 nan 8.310 nan 0.000 0.480 375 L N 3.862 125.132 121.223 0.079 0.000 2.317 375 L HA 0.519 4.859 4.340 0.001 0.000 0.281 375 L C -2.069 174.855 176.870 0.090 0.000 1.024 375 L CA -2.342 52.565 54.840 0.112 0.000 0.810 375 L CB 1.403 43.556 42.059 0.156 0.000 1.240 375 L HN 0.384 nan 8.230 nan 0.000 0.427 376 P HA -0.046 nan 4.420 nan 0.000 0.266 376 P C -0.247 177.042 177.300 -0.019 0.000 1.193 376 P CA 0.004 63.115 63.100 0.018 0.000 0.770 376 P CB 1.134 32.772 31.700 -0.104 0.000 0.836 377 A N 2.051 124.905 122.820 0.055 0.000 2.229 377 A HA 0.079 4.399 4.320 0.001 0.000 0.211 377 A C 1.018 178.611 177.584 0.015 0.000 1.193 377 A CA 0.091 52.145 52.037 0.027 0.000 0.879 377 A CB -0.552 18.488 19.000 0.067 0.000 0.911 377 A HN 0.767 nan 8.150 nan 0.000 0.492 378 H N 0.040 119.073 119.070 -0.063 0.000 2.487 378 H HA 0.405 4.961 4.556 0.001 0.000 0.333 378 H C -0.724 174.544 175.328 -0.101 0.000 1.114 378 H CA -0.150 55.855 56.048 -0.071 0.000 1.310 378 H CB -0.266 29.456 29.762 -0.068 0.000 1.462 378 H HN -0.063 nan 8.280 nan 0.000 0.516 379 T N 2.483 116.966 114.554 -0.118 0.000 2.946 379 T HA 0.183 4.533 4.350 0.001 0.000 0.312 379 T C 1.212 175.778 174.700 -0.225 0.000 1.066 379 T CA 0.663 62.670 62.100 -0.154 0.000 1.138 379 T CB 0.409 69.245 68.868 -0.053 0.000 1.014 379 T HN 0.769 nan 8.240 nan 0.000 0.544 380 G N 0.822 109.483 108.800 -0.231 0.000 2.563 380 G HA2 0.431 4.391 3.960 0.001 0.000 0.283 380 G HA3 0.431 4.391 3.960 0.001 0.000 0.283 380 G C -0.884 173.944 174.900 -0.120 0.000 1.309 380 G CA -0.616 44.327 45.100 -0.262 0.000 1.022 380 G HN 0.571 nan 8.290 nan 0.000 0.501 381 Y N 0.238 120.543 120.300 0.008 0.000 2.304 381 Y HA 0.329 4.879 4.550 0.001 0.000 0.327 381 Y C 1.281 177.200 175.900 0.032 0.000 1.209 381 Y CA -0.481 57.638 58.100 0.033 0.000 1.299 381 Y CB 0.754 39.243 38.460 0.048 0.000 1.249 381 Y HN 0.186 nan 8.280 nan 0.000 0.519 382 R N 3.095 123.731 120.500 0.227 0.000 2.349 382 R HA 0.161 4.502 4.340 0.001 0.000 0.299 382 R C 0.950 177.328 176.300 0.129 0.000 1.027 382 R CA -0.672 55.511 56.100 0.138 0.000 0.958 382 R CB 1.152 31.515 30.300 0.105 0.000 1.047 382 R HN 0.754 nan 8.270 nan 0.000 0.468 383 I N 2.755 123.395 120.570 0.117 0.000 2.502 383 I HA -0.285 3.885 4.170 0.001 0.000 0.258 383 I C 1.944 178.119 176.117 0.097 0.000 1.172 383 I CA 1.742 63.110 61.300 0.115 0.000 1.430 383 I CB -0.168 37.903 38.000 0.117 0.000 1.086 383 I HN 0.726 nan 8.210 nan 0.000 0.440 384 S N -0.792 114.957 115.700 0.081 0.000 2.515 384 S HA -0.065 4.406 4.470 0.001 0.000 0.231 384 S C 1.529 176.155 174.600 0.044 0.000 0.987 384 S CA 0.801 59.035 58.200 0.057 0.000 0.936 384 S CB -0.604 62.619 63.200 0.040 0.000 0.766 384 S HN 0.669 nan 8.310 nan 0.000 0.528 385 E N 0.427 120.658 120.200 0.051 0.000 2.474 385 E HA 0.208 4.558 4.350 0.001 0.000 0.195 385 E C 1.453 178.080 176.600 0.045 0.000 1.039 385 E CA -0.165 56.260 56.400 0.041 0.000 0.881 385 E CB -0.100 29.613 29.700 0.023 0.000 0.970 385 E HN 0.315 nan 8.360 nan 0.000 0.486 386 L N 2.391 123.646 121.223 0.052 0.000 1.978 386 L HA -0.180 4.160 4.340 0.001 0.000 0.218 386 L C -0.899 176.000 176.870 0.048 0.000 1.075 386 L CA 2.319 57.190 54.840 0.051 0.000 0.767 386 L CB -1.038 41.083 42.059 0.104 0.000 0.890 386 L HN 0.031 nan 8.230 nan 0.000 0.434 387 P HA -0.182 nan 4.420 nan 0.000 0.218 387 P C 1.228 178.571 177.300 0.072 0.000 1.148 387 P CA 1.817 64.960 63.100 0.072 0.000 0.822 387 P CB -0.123 31.618 31.700 0.069 0.000 0.784 388 H N -0.363 118.706 119.070 -0.002 0.000 2.372 388 H HA 0.052 4.608 4.556 0.001 0.000 0.301 388 H C 2.037 177.361 175.328 -0.005 0.000 1.065 388 H CA 1.308 57.362 56.048 0.010 0.000 1.364 388 H CB -0.028 29.698 29.762 -0.060 0.000 1.406 388 H HN -0.203 nan 8.280 nan 0.000 0.521 389 R N 0.443 120.809 120.500 -0.224 0.000 2.073 389 R HA 0.044 4.385 4.340 0.001 0.000 0.229 389 R C 2.486 178.670 176.300 -0.194 0.000 1.120 389 R CA 1.004 56.903 56.100 -0.335 0.000 0.967 389 R CB -0.954 29.088 30.300 -0.429 0.000 0.862 389 R HN 0.460 nan 8.270 nan 0.000 0.436 390 A N 1.569 124.324 122.820 -0.108 0.000 1.877 390 A HA -0.092 4.228 4.320 0.001 0.000 0.216 390 A C 2.426 179.971 177.584 -0.064 0.000 1.186 390 A CA 1.969 53.970 52.037 -0.060 0.000 0.620 390 A CB -0.636 18.361 19.000 -0.005 0.000 0.822 390 A HN 0.348 nan 8.150 nan 0.000 0.443 391 A N -1.512 121.273 122.820 -0.058 0.000 1.933 391 A HA -0.178 4.142 4.320 0.001 0.000 0.218 391 A C 1.954 179.452 177.584 -0.143 0.000 1.175 391 A CA 1.421 53.411 52.037 -0.078 0.000 0.628 391 A CB -0.881 18.090 19.000 -0.049 0.000 0.814 391 A HN 0.711 nan 8.150 nan 0.000 0.444 392 H N -1.232 117.687 119.070 -0.251 0.000 2.551 392 H HA 0.149 4.705 4.556 0.001 0.000 0.266 392 H C 1.624 176.855 175.328 -0.162 0.000 0.977 392 H CA 0.558 56.470 56.048 -0.227 0.000 1.163 392 H CB 0.070 29.626 29.762 -0.343 0.000 1.381 392 H HN 0.652 nan 8.280 nan 0.000 0.581 393 G N 1.696 110.455 108.800 -0.069 0.000 2.160 393 G HA2 -0.336 3.624 3.960 0.001 0.000 0.251 393 G HA3 -0.336 3.624 3.960 0.001 0.000 0.251 393 G C 0.832 175.679 174.900 -0.088 0.000 1.008 393 G CA 0.780 45.820 45.100 -0.100 0.000 0.724 393 G HN 0.502 nan 8.290 nan 0.000 0.514 394 E N -1.329 118.827 120.200 -0.073 0.000 2.230 394 E HA 0.330 4.681 4.350 0.001 0.000 0.192 394 E C 0.797 177.388 176.600 -0.015 0.000 0.987 394 E CA 0.837 57.209 56.400 -0.046 0.000 0.841 394 E CB 0.283 29.897 29.700 -0.143 0.000 0.783 394 E HN 0.357 nan 8.360 nan 0.000 0.481 395 V N 0.240 120.114 119.914 -0.068 0.000 2.735 395 V HA 0.367 4.487 4.120 0.001 0.000 0.310 395 V C 0.196 176.260 176.094 -0.050 0.000 1.061 395 V CA -0.622 61.672 62.300 -0.010 0.000 0.913 395 V CB 1.925 33.736 31.823 -0.019 0.000 1.005 395 V HN 0.047 nan 8.190 nan 0.000 0.428 396 R N 1.782 122.261 120.500 -0.036 0.000 2.531 396 R HA 0.686 5.027 4.340 0.001 0.000 0.316 396 R C -0.023 176.264 176.300 -0.022 0.000 0.955 396 R CA 0.412 56.470 56.100 -0.070 0.000 1.120 396 R CB 1.520 31.721 30.300 -0.165 0.000 1.361 396 R HN 0.748 nan 8.270 nan 0.000 0.534 397 A N 0.510 123.339 122.820 0.015 0.000 2.594 397 A HA 0.791 5.111 4.320 0.001 0.000 0.296 397 A C -1.766 175.852 177.584 0.056 0.000 1.061 397 A CA -0.563 51.488 52.037 0.022 0.000 0.689 397 A CB 1.624 20.651 19.000 0.045 0.000 1.280 397 A HN 0.094 nan 8.150 nan 0.000 0.406 398 A N 0.671 123.515 122.820 0.040 0.000 2.374 398 A HA 0.651 4.972 4.320 0.001 0.000 0.305 398 A C -1.600 176.085 177.584 0.167 0.000 1.053 398 A CA -0.382 51.716 52.037 0.103 0.000 0.726 398 A CB 1.064 20.105 19.000 0.069 0.000 1.229 398 A HN 1.571 nan 8.150 nan 0.000 0.431 399 Y N 3.793 124.145 120.300 0.086 0.000 2.958 399 Y HA 0.477 5.027 4.550 0.000 0.000 0.336 399 Y C -0.580 175.381 175.900 0.101 0.000 1.160 399 Y CA -1.767 56.393 58.100 0.100 0.000 1.292 399 Y CB -0.230 38.327 38.460 0.161 0.000 1.306 399 Y HN 0.503 nan 8.280 nan 0.000 0.547 400 I N 6.001 126.769 120.570 0.330 0.000 2.436 400 I HA 0.130 4.300 4.170 0.001 0.000 0.289 400 I C 0.254 176.503 176.117 0.220 0.000 1.083 400 I CA 0.469 61.908 61.300 0.232 0.000 1.372 400 I CB 0.439 38.581 38.000 0.236 0.000 1.408 400 I HN 0.499 nan 8.210 nan 0.000 0.516 401 M N 5.531 125.205 119.600 0.123 0.000 2.528 401 M HA 0.523 5.003 4.480 0.001 0.000 0.321 401 M C 0.820 177.186 176.300 0.110 0.000 1.153 401 M CA -0.385 54.974 55.300 0.098 0.000 0.951 401 M CB 1.775 34.357 32.600 -0.030 0.000 1.705 401 M HN 0.715 nan 8.290 nan 0.000 0.451 402 G N 3.067 111.944 108.800 0.129 0.000 2.441 402 G HA2 -0.234 3.726 3.960 0.001 0.000 0.298 402 G HA3 -0.234 3.726 3.960 0.001 0.000 0.298 402 G C -0.608 174.369 174.900 0.128 0.000 0.949 402 G CA 0.920 46.100 45.100 0.133 0.000 1.072 402 G HN 0.799 nan 8.290 nan 0.000 0.512 403 E N -1.148 119.133 120.200 0.135 0.000 2.413 403 E HA 0.385 4.735 4.350 0.001 0.000 0.277 403 E C -1.450 175.220 176.600 0.116 0.000 0.958 403 E CA -0.937 55.538 56.400 0.126 0.000 0.779 403 E CB 1.583 31.359 29.700 0.128 0.000 1.278 403 E HN 0.022 nan 8.360 nan 0.000 0.456 404 D N 1.742 122.195 120.400 0.087 0.000 2.749 404 D HA 0.191 4.832 4.640 0.001 0.000 0.338 404 D C -1.701 174.597 176.300 -0.003 0.000 1.236 404 D CA -2.200 51.819 54.000 0.031 0.000 0.845 404 D CB 0.797 41.601 40.800 0.005 0.000 1.080 404 D HN 0.105 nan 8.370 nan 0.000 0.497 405 P HA -0.181 nan 4.420 nan 0.000 0.215 405 P C 1.660 178.886 177.300 -0.124 0.000 1.157 405 P CA 0.645 63.727 63.100 -0.030 0.000 0.874 405 P CB 0.403 32.094 31.700 -0.014 0.000 0.790 406 L N -1.159 119.912 121.223 -0.252 0.000 2.740 406 L HA -0.123 4.217 4.340 0.001 0.000 0.242 406 L C 2.387 179.133 176.870 -0.207 0.000 1.175 406 L CA 1.016 55.681 54.840 -0.292 0.000 0.859 406 L CB -0.536 41.293 42.059 -0.383 0.000 0.992 406 L HN 0.148 nan 8.230 nan 0.000 0.454 407 Q N -1.453 118.259 119.800 -0.147 0.000 2.330 407 Q HA -0.037 4.303 4.340 0.001 0.000 0.254 407 Q C 1.667 177.678 176.000 0.019 0.000 0.777 407 Q CA 0.964 56.697 55.803 -0.117 0.000 0.972 407 Q CB 0.223 28.811 28.738 -0.249 0.000 1.236 407 Q HN 0.274 nan 8.270 nan 0.000 0.508 408 T N -1.977 112.610 114.554 0.054 0.000 3.037 408 T HA 0.238 4.588 4.350 0.001 0.000 0.252 408 T C 0.052 174.830 174.700 0.130 0.000 1.073 408 T CA 0.143 62.331 62.100 0.146 0.000 1.091 408 T CB -0.046 68.930 68.868 0.179 0.000 0.935 408 T HN 0.012 nan 8.240 nan 0.000 0.488 409 D N 2.449 122.915 120.400 0.110 0.000 2.382 409 D HA 0.555 5.195 4.640 0.001 0.000 0.245 409 D C 0.155 176.562 176.300 0.180 0.000 1.120 409 D CA -0.030 54.060 54.000 0.151 0.000 0.890 409 D CB 0.910 41.745 40.800 0.059 0.000 1.201 409 D HN 0.493 nan 8.370 nan 0.000 0.433 410 A N 2.355 125.297 122.820 0.203 0.000 2.511 410 A HA 0.277 4.597 4.320 0.001 0.000 0.242 410 A C 0.700 178.297 177.584 0.023 0.000 1.069 410 A CA -0.040 52.055 52.037 0.098 0.000 0.763 410 A CB -0.164 18.694 19.000 -0.238 0.000 1.001 410 A HN 0.766 nan 8.150 nan 0.000 0.498 411 E N 1.136 121.352 120.200 0.028 0.000 2.287 411 E HA -0.166 4.185 4.350 0.001 0.000 0.229 411 E C 0.289 176.889 176.600 -0.001 0.000 1.194 411 E CA 0.529 56.932 56.400 0.005 0.000 0.704 411 E CB -1.865 27.826 29.700 -0.014 0.000 1.216 411 E HN 0.716 nan 8.360 nan 0.000 0.381 412 L N -0.057 121.167 121.223 0.002 0.000 2.211 412 L HA -0.305 4.035 4.340 0.001 0.000 0.216 412 L C 2.530 179.374 176.870 -0.044 0.000 1.092 412 L CA 1.879 56.700 54.840 -0.031 0.000 0.767 412 L CB -0.870 41.171 42.059 -0.030 0.000 0.894 412 L HN 0.558 nan 8.230 nan 0.000 0.437 413 S N -0.230 115.456 115.700 -0.023 0.000 2.383 413 S HA -0.130 4.340 4.470 0.001 0.000 0.227 413 S C 2.185 176.775 174.600 -0.016 0.000 1.026 413 S CA 0.748 58.937 58.200 -0.019 0.000 0.981 413 S CB -0.352 62.843 63.200 -0.009 0.000 0.818 413 S HN 0.391 nan 8.310 nan 0.000 0.472 414 A N 1.727 124.540 122.820 -0.012 0.000 1.873 414 A HA 0.075 4.395 4.320 0.001 0.000 0.215 414 A C 2.404 179.987 177.584 -0.002 0.000 1.186 414 A CA 1.661 53.697 52.037 -0.001 0.000 0.616 414 A CB -1.129 17.873 19.000 0.004 0.000 0.823 414 A HN 0.472 nan 8.150 nan 0.000 0.442 415 V N 0.067 119.961 119.914 -0.034 0.000 2.515 415 V HA -0.247 3.874 4.120 0.001 0.000 0.250 415 V C 2.550 178.580 176.094 -0.108 0.000 1.058 415 V CA 2.052 64.308 62.300 -0.073 0.000 1.064 415 V CB -0.950 30.778 31.823 -0.159 0.000 0.675 415 V HN 0.496 nan 8.190 nan 0.000 0.461 416 R N 0.468 120.911 120.500 -0.095 0.000 2.070 416 R HA -0.181 4.159 4.340 0.001 0.000 0.232 416 R C 2.440 178.772 176.300 0.053 0.000 1.138 416 R CA 1.691 57.758 56.100 -0.054 0.000 0.936 416 R CB -0.410 29.863 30.300 -0.046 0.000 0.839 416 R HN 0.296 nan 8.270 nan 0.000 0.429 417 K N 0.938 121.360 120.400 0.037 0.000 2.103 417 K HA -0.123 4.198 4.320 0.001 0.000 0.207 417 K C 1.876 178.526 176.600 0.082 0.000 1.048 417 K CA 1.549 57.866 56.287 0.050 0.000 0.930 417 K CB -0.314 32.202 32.500 0.026 0.000 0.716 417 K HN 0.216 nan 8.250 nan 0.000 0.444 418 A N -0.020 122.861 122.820 0.103 0.000 1.865 418 A HA -0.153 4.168 4.320 0.001 0.000 0.217 418 A C 2.018 179.745 177.584 0.238 0.000 1.191 418 A CA 1.636 53.761 52.037 0.146 0.000 0.623 418 A CB -0.953 18.144 19.000 0.161 0.000 0.826 418 A HN 0.358 nan 8.150 nan 0.000 0.444 419 F N 0.227 120.180 119.950 0.006 0.000 2.250 419 F HA -0.097 4.430 4.527 0.000 0.000 0.301 419 F C 2.344 178.145 175.800 0.002 0.000 1.077 419 F CA 1.404 59.409 58.000 0.007 0.000 1.348 419 F CB -0.206 38.797 39.000 0.005 0.000 1.040 419 F HN 0.470 nan 8.300 nan 0.000 0.509 420 E N -0.436 119.865 120.200 0.167 0.000 2.385 420 E HA -0.105 4.246 4.350 0.001 0.000 0.194 420 E C 0.818 177.441 176.600 0.038 0.000 1.013 420 E CA 0.629 57.077 56.400 0.080 0.000 0.866 420 E CB 0.070 29.809 29.700 0.066 0.000 0.832 420 E HN 0.253 nan 8.360 nan 0.000 0.500 421 D N 0.250 120.672 120.400 0.037 0.000 2.360 421 D HA 0.114 4.755 4.640 0.001 0.000 0.210 421 D C 0.365 176.655 176.300 -0.017 0.000 1.047 421 D CA 0.128 54.130 54.000 0.002 0.000 0.854 421 D CB 0.507 41.305 40.800 -0.004 0.000 0.936 421 D HN 0.183 nan 8.370 nan 0.000 0.514 422 L N 1.112 122.326 121.223 -0.015 0.000 2.375 422 L HA 0.172 4.512 4.340 0.001 0.000 0.271 422 L C 1.729 178.573 176.870 -0.044 0.000 1.107 422 L CA -0.395 54.420 54.840 -0.042 0.000 0.806 422 L CB 1.505 43.524 42.059 -0.067 0.000 1.146 422 L HN -0.209 nan 8.230 nan 0.000 0.447 423 E N 1.467 121.642 120.200 -0.041 0.000 2.028 423 E HA -0.107 4.243 4.350 0.001 0.000 0.191 423 E C -0.202 176.390 176.600 -0.013 0.000 0.988 423 E CA 1.168 57.556 56.400 -0.020 0.000 0.799 423 E CB 0.201 29.897 29.700 -0.007 0.000 0.755 423 E HN 0.278 nan 8.360 nan 0.000 0.447 424 L N 0.231 121.442 121.223 -0.020 0.000 2.386 424 L HA 0.369 4.710 4.340 0.001 0.000 0.271 424 L C -1.393 175.427 176.870 -0.082 0.000 0.993 424 L CA -0.760 54.069 54.840 -0.019 0.000 0.819 424 L CB 2.318 44.392 42.059 0.025 0.000 1.294 424 L HN -0.297 nan 8.230 nan 0.000 0.414 425 V N 6.324 126.154 119.914 -0.139 0.000 2.482 425 V HA 0.498 4.618 4.120 0.001 0.000 0.295 425 V C -0.390 175.602 176.094 -0.170 0.000 1.026 425 V CA -0.315 61.834 62.300 -0.253 0.000 0.856 425 V CB 1.577 33.062 31.823 -0.562 0.000 1.001 425 V HN 0.614 nan 8.190 nan 0.000 0.424 426 I N 5.189 125.703 120.570 -0.093 0.000 2.378 426 I HA 0.558 4.729 4.170 0.001 0.000 0.291 426 I C -0.518 175.641 176.117 0.070 0.000 0.992 426 I CA -0.792 60.476 61.300 -0.053 0.000 1.154 426 I CB 2.009 39.904 38.000 -0.175 0.000 1.315 426 I HN 0.254 nan 8.210 nan 0.000 0.448 427 V N 5.935 125.893 119.914 0.073 0.000 2.448 427 V HA 0.352 4.472 4.120 0.001 0.000 0.295 427 V C -0.315 175.875 176.094 0.160 0.000 1.025 427 V CA -0.567 61.819 62.300 0.144 0.000 0.859 427 V CB 1.687 33.588 31.823 0.129 0.000 0.988 427 V HN 0.727 nan 8.190 nan 0.000 0.431 428 Q N 3.237 123.168 119.800 0.217 0.000 2.381 428 Q HA 0.547 4.887 4.340 0.001 0.000 0.263 428 Q C -1.185 174.917 176.000 0.169 0.000 1.030 428 Q CA -0.215 55.716 55.803 0.213 0.000 0.772 428 Q CB 1.436 30.347 28.738 0.288 0.000 1.232 428 Q HN 0.915 nan 8.270 nan 0.000 0.476 429 D N 2.132 122.618 120.400 0.143 0.000 2.744 429 D HA 0.390 5.030 4.640 0.001 0.000 0.304 429 D C -0.420 175.940 176.300 0.101 0.000 1.179 429 D CA -0.599 53.484 54.000 0.139 0.000 1.024 429 D CB 1.360 42.251 40.800 0.152 0.000 1.453 429 D HN 0.487 nan 8.370 nan 0.000 0.529 430 I N -0.081 120.531 120.570 0.071 0.000 4.227 430 I HA 0.363 4.533 4.170 0.001 0.000 0.334 430 I C -1.006 174.920 176.117 -0.319 0.000 1.341 430 I CA 0.135 61.380 61.300 -0.090 0.000 1.123 430 I CB 0.525 38.489 38.000 -0.060 0.000 1.097 430 I HN 0.138 nan 8.210 nan 0.000 0.399 431 F N -0.314 119.703 119.950 0.111 0.000 2.613 431 F HA 0.396 4.923 4.527 0.000 0.000 0.310 431 F C 0.027 175.874 175.800 0.080 0.000 1.085 431 F CA -1.025 57.040 58.000 0.107 0.000 0.945 431 F CB 1.402 40.492 39.000 0.150 0.000 1.298 431 F HN -0.305 nan 8.300 nan 0.000 0.455 432 M N 3.061 122.851 119.600 0.317 0.000 3.442 432 M HA 0.179 4.659 4.480 0.001 0.000 0.232 432 M C 0.283 176.664 176.300 0.134 0.000 1.508 432 M CA -0.389 55.010 55.300 0.166 0.000 1.647 432 M CB -1.251 31.418 32.600 0.116 0.000 1.126 432 M HN 0.621 nan 8.290 nan 0.000 0.557 433 T N -0.418 114.193 114.554 0.095 0.000 2.726 433 T HA 0.234 4.585 4.350 0.001 0.000 0.294 433 T C 1.137 175.712 174.700 -0.209 0.000 1.013 433 T CA -0.369 61.678 62.100 -0.088 0.000 0.996 433 T CB 0.788 69.632 68.868 -0.040 0.000 1.016 433 T HN 0.632 nan 8.240 nan 0.000 0.529 434 K N -0.046 120.086 120.400 -0.448 0.000 2.097 434 K HA -0.092 4.229 4.320 0.001 0.000 0.206 434 K C 2.561 179.058 176.600 -0.171 0.000 1.049 434 K CA 1.666 57.746 56.287 -0.345 0.000 0.933 434 K CB -0.595 31.628 32.500 -0.462 0.000 0.717 434 K HN 0.624 nan 8.250 nan 0.000 0.442 435 T N 0.931 115.402 114.554 -0.137 0.000 2.777 435 T HA -0.111 4.239 4.350 0.001 0.000 0.266 435 T C 1.979 176.779 174.700 0.167 0.000 1.040 435 T CA 1.324 63.430 62.100 0.010 0.000 1.141 435 T CB -0.183 68.712 68.868 0.046 0.000 0.868 435 T HN 0.314 nan 8.240 nan 0.000 0.444 436 A N 1.923 124.798 122.820 0.092 0.000 1.969 436 A HA -0.087 4.233 4.320 0.001 0.000 0.218 436 A C 2.548 180.172 177.584 0.067 0.000 1.169 436 A CA 1.961 54.054 52.037 0.094 0.000 0.635 436 A CB -0.792 18.254 19.000 0.077 0.000 0.810 436 A HN 0.599 nan 8.150 nan 0.000 0.445 437 S N -0.079 115.644 115.700 0.039 0.000 2.423 437 S HA 0.157 4.628 4.470 0.001 0.000 0.231 437 S C 1.467 176.097 174.600 0.052 0.000 1.014 437 S CA 0.872 59.086 58.200 0.024 0.000 0.965 437 S CB -0.425 62.771 63.200 -0.005 0.000 0.785 437 S HN 0.959 nan 8.310 nan 0.000 0.495 438 A N 0.980 123.870 122.820 0.117 0.000 2.797 438 A HA 0.781 5.102 4.320 0.001 0.000 0.287 438 A C 0.607 178.306 177.584 0.192 0.000 1.369 438 A CA -0.101 52.050 52.037 0.188 0.000 0.968 438 A CB -0.808 18.371 19.000 0.298 0.000 1.069 438 A HN 0.700 nan 8.150 nan 0.000 0.571 439 A N -0.817 122.048 122.820 0.075 0.000 2.311 439 A HA 0.593 4.914 4.320 0.001 0.000 0.334 439 A C 0.385 177.930 177.584 -0.064 0.000 1.139 439 A CA -0.457 51.564 52.037 -0.027 0.000 0.830 439 A CB 0.718 19.712 19.000 -0.011 0.000 1.234 439 A HN 0.242 nan 8.150 nan 0.000 0.483 440 D N -0.457 119.882 120.400 -0.102 0.000 2.162 440 D HA 0.060 4.700 4.640 0.001 0.000 0.205 440 D C 0.251 176.473 176.300 -0.131 0.000 0.964 440 D CA 1.709 55.653 54.000 -0.093 0.000 0.847 440 D CB 0.477 41.238 40.800 -0.065 0.000 0.988 440 D HN 0.322 nan 8.370 nan 0.000 0.480 441 V N 1.050 120.891 119.914 -0.122 0.000 2.569 441 V HA 0.399 4.520 4.120 0.001 0.000 0.301 441 V C -1.280 174.749 176.094 -0.108 0.000 1.044 441 V CA -0.724 61.484 62.300 -0.153 0.000 0.874 441 V CB 1.633 33.351 31.823 -0.176 0.000 1.002 441 V HN -0.145 nan 8.190 nan 0.000 0.424 442 I N 6.987 127.487 120.570 -0.118 0.000 2.437 442 I HA 0.542 4.713 4.170 0.001 0.000 0.298 442 I C -0.645 175.397 176.117 -0.125 0.000 0.984 442 I CA -0.470 60.781 61.300 -0.082 0.000 1.214 442 I CB 1.754 39.707 38.000 -0.078 0.000 1.365 442 I HN 0.492 nan 8.210 nan 0.000 0.469 443 L N 7.958 129.152 121.223 -0.048 0.000 2.404 443 L HA 0.496 4.836 4.340 0.001 0.000 0.272 443 L C -2.561 174.365 176.870 0.094 0.000 0.980 443 L CA -1.761 53.056 54.840 -0.037 0.000 0.836 443 L CB 1.847 43.989 42.059 0.139 0.000 1.238 443 L HN 0.309 nan 8.230 nan 0.000 0.408 444 P HA 0.314 nan 4.420 nan 0.000 0.282 444 P C -0.872 176.603 177.300 0.291 0.000 1.249 444 P CA -0.388 62.796 63.100 0.141 0.000 0.806 444 P CB 1.825 33.545 31.700 0.034 0.000 0.984 445 S N -0.027 115.793 115.700 0.200 0.000 2.667 445 S HA 0.649 5.120 4.470 0.001 0.000 0.292 445 S C -0.292 174.419 174.600 0.184 0.000 1.126 445 S CA -0.606 57.705 58.200 0.185 0.000 0.881 445 S CB 0.578 63.874 63.200 0.159 0.000 1.132 445 S HN 0.547 nan 8.310 nan 0.000 0.492 446 T N -0.144 114.526 114.554 0.194 0.000 2.901 446 T HA 0.449 4.799 4.350 0.001 0.000 0.301 446 T C 0.459 175.320 174.700 0.269 0.000 1.012 446 T CA -0.348 61.890 62.100 0.230 0.000 1.135 446 T CB 0.691 69.703 68.868 0.238 0.000 0.936 446 T HN 0.806 nan 8.240 nan 0.000 0.539 447 S N 2.319 118.094 115.700 0.125 0.000 2.634 447 S HA 0.166 4.636 4.470 0.001 0.000 0.261 447 S C 1.034 175.539 174.600 -0.159 0.000 1.271 447 S CA -0.400 57.884 58.200 0.140 0.000 0.985 447 S CB 0.041 63.389 63.200 0.246 0.000 0.968 447 S HN 0.997 nan 8.310 nan 0.000 0.568 448 W N 2.691 123.935 121.300 -0.093 0.000 2.290 448 W HA -0.126 4.534 4.660 0.000 0.000 0.328 448 W C 1.976 178.416 176.519 -0.132 0.000 1.272 448 W CA 2.213 59.492 57.345 -0.110 0.000 1.262 448 W CB -1.167 28.357 29.460 0.107 0.000 1.151 448 W HN 0.721 nan 8.180 nan 0.000 0.473 449 G N -0.070 108.530 108.800 -0.333 0.000 2.679 449 G HA2 -0.154 3.806 3.960 0.001 0.000 0.212 449 G HA3 -0.154 3.806 3.960 0.001 0.000 0.212 449 G C 0.971 175.681 174.900 -0.316 0.000 1.137 449 G CA 0.736 45.477 45.100 -0.597 0.000 0.787 449 G HN 0.574 nan 8.290 nan 0.000 0.534 450 E N 0.169 120.218 120.200 -0.252 0.000 2.463 450 E HA 0.150 4.500 4.350 0.001 0.000 0.193 450 E C 0.513 177.083 176.600 -0.050 0.000 1.041 450 E CA -0.141 56.175 56.400 -0.140 0.000 0.879 450 E CB -0.085 29.577 29.700 -0.064 0.000 0.997 450 E HN 0.851 nan 8.360 nan 0.000 0.478 451 H N -0.833 118.257 119.070 0.033 0.000 2.883 451 H HA 0.420 4.976 4.556 0.001 0.000 0.277 451 H C -1.046 174.227 175.328 -0.091 0.000 1.451 451 H CA -1.112 54.942 56.048 0.011 0.000 1.157 451 H CB 1.119 30.917 29.762 0.059 0.000 1.851 451 H HN 0.033 nan 8.280 nan 0.000 0.566 452 E N 0.222 120.402 120.200 -0.033 0.000 2.446 452 E HA 0.736 5.086 4.350 0.001 0.000 0.267 452 E C -0.340 175.600 176.600 -1.099 0.000 0.955 452 E CA -0.797 55.117 56.400 -0.810 0.000 0.842 452 E CB 2.839 32.216 29.700 -0.539 0.000 1.504 452 E HN 1.042 nan 8.360 nan 0.000 0.438 453 G N -0.788 107.124 108.800 -1.480 0.000 2.373 453 G HA2 0.289 4.250 3.960 0.001 0.000 0.250 453 G HA3 0.289 4.250 3.960 0.001 0.000 0.250 453 G C -1.521 172.857 174.900 -0.871 0.000 1.304 453 G CA -0.261 44.316 45.100 -0.872 0.000 0.948 453 G HN 0.664 nan 8.290 nan 0.000 0.474 454 V N 0.334 119.989 119.914 -0.433 0.000 2.914 454 V HA 0.889 5.010 4.120 0.001 0.000 0.314 454 V C -1.076 175.106 176.094 0.148 0.000 1.084 454 V CA -0.682 61.405 62.300 -0.355 0.000 0.963 454 V CB 1.834 33.142 31.823 -0.859 0.000 1.025 454 V HN 0.650 nan 8.190 nan 0.000 0.432 455 F N 0.286 120.296 119.950 0.100 0.000 2.588 455 F HA 0.667 5.194 4.527 0.000 0.000 0.314 455 F C 0.295 176.160 175.800 0.109 0.000 1.069 455 F CA -1.172 56.895 58.000 0.111 0.000 0.931 455 F CB 2.449 41.471 39.000 0.038 0.000 1.260 455 F HN 0.344 nan 8.300 nan 0.000 0.465 456 T N 2.120 116.847 114.554 0.289 0.000 2.772 456 T HA 0.676 5.027 4.350 0.001 0.000 0.288 456 T C 0.138 174.848 174.700 0.017 0.000 0.994 456 T CA -0.492 61.683 62.100 0.125 0.000 0.951 456 T CB 1.216 70.170 68.868 0.142 0.000 0.933 456 T HN 0.723 nan 8.240 nan 0.000 0.447 457 A N 2.582 125.362 122.820 -0.067 0.000 2.409 457 A HA 0.631 4.952 4.320 0.001 0.000 0.246 457 A C 1.909 179.471 177.584 -0.038 0.000 1.099 457 A CA 0.127 52.168 52.037 0.008 0.000 0.789 457 A CB -0.409 18.683 19.000 0.152 0.000 1.053 457 A HN 1.044 nan 8.150 nan 0.000 0.503 458 A N 0.555 123.362 122.820 -0.021 0.000 1.940 458 A HA -0.205 4.116 4.320 0.001 0.000 0.221 458 A C 1.145 178.640 177.584 -0.149 0.000 1.190 458 A CA 2.215 54.188 52.037 -0.106 0.000 0.647 458 A CB -0.824 18.065 19.000 -0.185 0.000 0.821 458 A HN 0.934 nan 8.150 nan 0.000 0.457 459 D N -0.907 119.419 120.400 -0.124 0.000 3.060 459 D HA 0.167 4.807 4.640 0.001 0.000 0.245 459 D C 0.556 176.666 176.300 -0.316 0.000 1.274 459 D CA 0.018 53.907 54.000 -0.185 0.000 0.864 459 D CB -1.011 39.735 40.800 -0.089 0.000 1.073 459 D HN 0.637 nan 8.370 nan 0.000 0.473 460 R N -2.354 117.916 120.500 -0.384 0.000 3.847 460 R HA -0.160 4.180 4.340 0.001 0.000 0.304 460 R C 0.346 176.183 176.300 -0.773 0.000 1.203 460 R CA 0.996 56.696 56.100 -0.666 0.000 0.835 460 R CB -2.738 26.724 30.300 -1.397 0.000 1.253 460 R HN 0.294 nan 8.270 nan 0.000 0.516 461 G N 1.149 109.551 108.800 -0.663 0.000 2.393 461 G HA2 0.465 4.425 3.960 0.001 0.000 0.311 461 G HA3 0.465 4.425 3.960 0.001 0.000 0.311 461 G C -0.220 174.164 174.900 -0.859 0.000 1.067 461 G CA -0.648 43.806 45.100 -1.077 0.000 1.000 461 G HN 0.151 nan 8.290 nan 0.000 0.422 462 F N 0.991 120.691 119.950 -0.416 0.000 2.572 462 F HA 0.245 4.772 4.527 0.000 0.000 0.370 462 F C 1.088 176.707 175.800 -0.301 0.000 1.103 462 F CA 0.233 58.085 58.000 -0.247 0.000 1.286 462 F CB 0.777 39.717 39.000 -0.099 0.000 1.105 462 F HN 0.341 nan 8.300 nan 0.000 0.583 463 Q N 2.534 122.339 119.800 0.008 0.000 2.391 463 Q HA 0.388 4.728 4.340 0.001 0.000 0.279 463 Q C -0.797 175.113 176.000 -0.150 0.000 1.028 463 Q CA -1.149 54.632 55.803 -0.036 0.000 0.836 463 Q CB 3.105 31.886 28.738 0.072 0.000 1.414 463 Q HN 0.503 nan 8.270 nan 0.000 0.397 464 R N 1.412 121.759 120.500 -0.255 0.000 2.457 464 R HA 0.546 4.886 4.340 0.001 0.000 0.284 464 R C -0.783 175.261 176.300 -0.427 0.000 1.024 464 R CA -0.299 55.473 56.100 -0.546 0.000 1.025 464 R CB 0.822 30.667 30.300 -0.759 0.000 1.063 464 R HN 0.541 nan 8.270 nan 0.000 0.493 465 F N 0.360 119.818 119.950 -0.820 0.000 2.556 465 F HA 0.585 5.112 4.527 0.000 0.000 0.314 465 F C -1.527 173.815 175.800 -0.763 0.000 1.106 465 F CA -1.289 56.352 58.000 -0.598 0.000 0.911 465 F CB 0.968 39.707 39.000 -0.435 0.000 1.190 465 F HN 0.219 nan 8.300 nan 0.000 0.448 466 F N 2.082 121.964 119.950 -0.113 0.000 2.470 466 F HA 0.466 4.993 4.527 0.001 0.000 0.329 466 F C 0.350 176.048 175.800 -0.170 0.000 1.072 466 F CA -1.090 56.793 58.000 -0.195 0.000 0.989 466 F CB 1.599 40.506 39.000 -0.156 0.000 1.193 466 F HN 0.558 nan 8.300 nan 0.000 0.481 467 K N 1.312 121.720 120.400 0.013 0.000 2.379 467 K HA 0.413 4.734 4.320 0.001 0.000 0.284 467 K C 0.259 176.816 176.600 -0.072 0.000 1.044 467 K CA 0.163 56.425 56.287 -0.042 0.000 0.974 467 K CB 0.923 33.414 32.500 -0.015 0.000 0.962 467 K HN 0.869 nan 8.250 nan 0.000 0.474 468 A N 4.536 127.263 122.820 -0.154 0.000 2.085 468 A HA 0.175 4.496 4.320 0.001 0.000 0.208 468 A C 0.340 177.829 177.584 -0.158 0.000 1.191 468 A CA 0.209 52.139 52.037 -0.179 0.000 0.799 468 A CB 0.626 19.461 19.000 -0.275 0.000 0.877 468 A HN 0.489 nan 8.150 nan 0.000 0.473 469 V N -0.645 119.179 119.914 -0.150 0.000 3.103 469 V HA 0.414 4.534 4.120 0.001 0.000 0.311 469 V C -1.678 174.359 176.094 -0.095 0.000 1.322 469 V CA -0.911 61.314 62.300 -0.125 0.000 1.063 469 V CB 2.194 33.929 31.823 -0.146 0.000 1.090 469 V HN 0.364 nan 8.190 nan 0.000 0.462 470 E N 2.719 122.865 120.200 -0.089 0.000 2.207 470 E HA 0.454 4.804 4.350 0.001 0.000 0.270 470 E C -2.694 173.855 176.600 -0.085 0.000 0.927 470 E CA -1.870 54.487 56.400 -0.071 0.000 0.799 470 E CB 1.851 31.511 29.700 -0.067 0.000 1.172 470 E HN 0.458 nan 8.360 nan 0.000 0.404 471 P HA 0.115 nan 4.420 nan 0.000 0.271 471 P C 0.229 177.436 177.300 -0.155 0.000 1.216 471 P CA -0.363 62.712 63.100 -0.042 0.000 0.776 471 P CB 0.931 32.680 31.700 0.081 0.000 0.881 472 K N 1.168 121.309 120.400 -0.432 0.000 2.525 472 K HA 0.075 4.395 4.320 0.001 0.000 0.192 472 K C 0.397 176.631 176.600 -0.610 0.000 1.029 472 K CA 0.675 56.565 56.287 -0.663 0.000 1.029 472 K CB 0.103 31.974 32.500 -1.049 0.000 0.814 472 K HN 0.600 nan 8.250 nan 0.000 0.503 473 W N 0.069 121.394 121.300 0.041 0.000 2.929 473 W HA 0.167 4.828 4.660 0.000 0.000 0.345 473 W C -0.188 176.382 176.519 0.084 0.000 1.151 473 W CA -1.293 56.088 57.345 0.060 0.000 1.111 473 W CB 0.298 29.797 29.460 0.064 0.000 1.449 473 W HN -0.118 nan 8.180 nan 0.000 0.572 474 D N 2.072 122.699 120.400 0.377 0.000 2.498 474 D HA 0.316 4.957 4.640 0.001 0.000 0.229 474 D C -0.509 176.045 176.300 0.423 0.000 1.188 474 D CA 0.529 54.718 54.000 0.315 0.000 1.028 474 D CB -0.471 40.520 40.800 0.318 0.000 1.087 474 D HN 0.162 nan 8.370 nan 0.000 0.510 475 L N 2.137 123.537 121.223 0.294 0.000 2.319 475 L HA 0.555 4.896 4.340 0.001 0.000 0.267 475 L C 0.552 177.441 176.870 0.032 0.000 1.011 475 L CA -1.182 53.832 54.840 0.289 0.000 0.818 475 L CB 1.739 43.961 42.059 0.271 0.000 1.316 475 L HN -0.041 nan 8.230 nan 0.000 0.432 476 K N -0.254 120.098 120.400 -0.080 0.000 2.221 476 K HA 0.506 4.826 4.320 0.001 0.000 0.243 476 K C -0.508 175.953 176.600 -0.232 0.000 0.968 476 K CA -0.697 55.410 56.287 -0.301 0.000 0.846 476 K CB 1.932 34.082 32.500 -0.583 0.000 1.141 476 K HN 0.672 nan 8.250 nan 0.000 0.434 477 T N -1.737 112.550 114.554 -0.445 0.000 2.899 477 T HA 0.075 4.426 4.350 0.001 0.000 0.295 477 T C 0.656 175.074 174.700 -0.469 0.000 1.033 477 T CA -0.624 61.169 62.100 -0.512 0.000 1.084 477 T CB 0.712 68.941 68.868 -1.064 0.000 0.979 477 T HN 0.447 nan 8.240 nan 0.000 0.532 478 D N 0.964 121.217 120.400 -0.245 0.000 2.149 478 D HA -0.137 4.503 4.640 0.001 0.000 0.194 478 D C 1.934 178.198 176.300 -0.059 0.000 1.001 478 D CA 1.765 55.719 54.000 -0.077 0.000 0.849 478 D CB -0.017 40.803 40.800 0.033 0.000 0.939 478 D HN 0.897 nan 8.370 nan 0.000 0.449 479 W N 1.139 122.429 121.300 -0.017 0.000 2.425 479 W HA -0.057 4.604 4.660 0.001 0.000 0.277 479 W C 1.594 178.125 176.519 0.021 0.000 1.231 479 W CA 0.112 57.450 57.345 -0.011 0.000 1.248 479 W CB -0.803 28.637 29.460 -0.033 0.000 1.117 479 W HN 0.017 nan 8.180 nan 0.000 0.568 480 Q N 0.943 120.576 119.800 -0.280 0.000 2.172 480 Q HA -0.089 4.251 4.340 0.001 0.000 0.200 480 Q C 2.425 178.361 176.000 -0.107 0.000 0.964 480 Q CA 1.800 57.501 55.803 -0.170 0.000 0.855 480 Q CB -0.154 28.288 28.738 -0.492 0.000 0.918 480 Q HN 0.351 nan 8.270 nan 0.000 0.444 481 I N 0.163 120.647 120.570 -0.145 0.000 2.133 481 I HA -0.274 3.896 4.170 0.001 0.000 0.238 481 I C 2.075 178.195 176.117 0.004 0.000 1.074 481 I CA 1.135 62.389 61.300 -0.078 0.000 1.342 481 I CB -0.327 37.692 38.000 0.032 0.000 1.053 481 I HN 0.186 nan 8.210 nan 0.000 0.404 482 I N 0.478 121.053 120.570 0.008 0.000 2.264 482 I HA -0.294 3.877 4.170 0.001 0.000 0.248 482 I C 2.662 178.739 176.117 -0.066 0.000 1.111 482 I CA 1.296 62.525 61.300 -0.120 0.000 1.382 482 I CB -0.359 37.540 38.000 -0.169 0.000 1.060 482 I HN 0.154 nan 8.210 nan 0.000 0.418 483 S N -0.092 115.667 115.700 0.098 0.000 2.368 483 S HA -0.254 4.216 4.470 0.001 0.000 0.225 483 S C 1.985 176.658 174.600 0.121 0.000 1.030 483 S CA 1.528 59.833 58.200 0.175 0.000 0.999 483 S CB -0.266 63.117 63.200 0.305 0.000 0.844 483 S HN 0.482 nan 8.310 nan 0.000 0.459 484 E N 0.601 120.844 120.200 0.071 0.000 2.150 484 E HA -0.060 4.291 4.350 0.001 0.000 0.193 484 E C 1.833 178.476 176.600 0.072 0.000 0.985 484 E CA 0.791 57.224 56.400 0.056 0.000 0.814 484 E CB -0.080 29.625 29.700 0.008 0.000 0.752 484 E HN 0.498 nan 8.360 nan 0.000 0.466 485 I N 0.605 121.205 120.570 0.049 0.000 2.353 485 I HA -0.188 3.982 4.170 0.001 0.000 0.248 485 I C 2.540 178.756 176.117 0.166 0.000 1.119 485 I CA 0.740 62.082 61.300 0.070 0.000 1.417 485 I CB -0.374 37.617 38.000 -0.015 0.000 1.078 485 I HN 0.154 nan 8.210 nan 0.000 0.421 486 A N 1.017 123.949 122.820 0.186 0.000 1.865 486 A HA -0.222 4.099 4.320 0.001 0.000 0.217 486 A C 2.413 180.170 177.584 0.288 0.000 1.191 486 A CA 2.661 54.916 52.037 0.364 0.000 0.623 486 A CB -1.216 18.011 19.000 0.378 0.000 0.826 486 A HN 0.377 nan 8.150 nan 0.000 0.444 487 T N -0.098 114.579 114.554 0.206 0.000 2.684 487 T HA -0.174 4.176 4.350 0.001 0.000 0.267 487 T C 1.963 176.735 174.700 0.119 0.000 1.036 487 T CA 1.676 63.861 62.100 0.143 0.000 1.148 487 T CB -0.300 68.623 68.868 0.092 0.000 0.863 487 T HN 0.522 nan 8.240 nan 0.000 0.436 488 R N 0.494 121.063 120.500 0.115 0.000 2.193 488 R HA 0.142 4.482 4.340 0.001 0.000 0.229 488 R C 1.937 178.300 176.300 0.106 0.000 1.110 488 R CA 0.834 56.992 56.100 0.096 0.000 0.988 488 R CB -0.225 30.128 30.300 0.089 0.000 0.871 488 R HN 0.417 nan 8.270 nan 0.000 0.458 489 M N -0.530 119.159 119.600 0.147 0.000 2.505 489 M HA 0.149 4.629 4.480 0.001 0.000 0.230 489 M C 0.778 177.163 176.300 0.142 0.000 1.153 489 M CA 0.459 55.848 55.300 0.147 0.000 0.997 489 M CB 1.073 33.793 32.600 0.200 0.000 1.606 489 M HN 0.468 nan 8.290 nan 0.000 0.481 490 G N 0.570 109.448 108.800 0.130 0.000 2.241 490 G HA2 -0.323 3.638 3.960 0.001 0.000 0.244 490 G HA3 -0.323 3.638 3.960 0.001 0.000 0.244 490 G C -0.165 174.816 174.900 0.136 0.000 0.998 490 G CA -0.318 44.848 45.100 0.110 0.000 0.621 490 G HN 0.536 nan 8.290 nan 0.000 0.519 491 Y N 4.388 124.731 120.300 0.072 0.000 2.404 491 Y HA 0.557 5.108 4.550 0.001 0.000 0.344 491 Y C -1.985 173.952 175.900 0.062 0.000 0.970 491 Y CA -2.471 55.670 58.100 0.069 0.000 1.180 491 Y CB 1.512 40.022 38.460 0.083 0.000 1.138 491 Y HN 0.094 nan 8.280 nan 0.000 0.510 492 P HA 0.070 nan 4.420 nan 0.000 0.267 492 P C -0.922 176.317 177.300 -0.101 0.000 1.209 492 P CA 0.126 63.136 63.100 -0.151 0.000 0.763 492 P CB 0.908 32.492 31.700 -0.193 0.000 0.816 493 M N 4.739 124.363 119.600 0.040 0.000 2.294 493 M HA 0.310 4.790 4.480 0.001 0.000 0.280 493 M C -1.744 174.576 176.300 0.033 0.000 1.085 493 M CA -0.302 55.008 55.300 0.018 0.000 0.969 493 M CB 1.673 34.388 32.600 0.191 0.000 1.770 493 M HN 0.569 nan 8.290 nan 0.000 0.485 494 H N 3.395 122.291 119.070 -0.290 0.000 3.129 494 H HA 0.343 4.899 4.556 0.001 0.000 0.342 494 H C -2.666 172.451 175.328 -0.351 0.000 1.092 494 H CA -0.491 55.463 56.048 -0.157 0.000 1.310 494 H CB 0.845 30.571 29.762 -0.060 0.000 1.932 494 H HN 0.708 nan 8.280 nan 0.000 0.507 495 Y N 2.849 123.030 120.300 -0.198 0.000 2.350 495 Y HA 0.228 4.778 4.550 0.001 0.000 0.338 495 Y C 1.244 177.055 175.900 -0.149 0.000 0.961 495 Y CA -0.834 57.040 58.100 -0.377 0.000 1.100 495 Y CB 1.617 39.739 38.460 -0.563 0.000 1.179 495 Y HN 0.618 nan 8.280 nan 0.000 0.454 496 N N 2.314 120.976 118.700 -0.063 0.000 2.381 496 N HA -0.100 4.640 4.740 0.001 0.000 0.182 496 N C -0.301 175.294 175.510 0.142 0.000 1.025 496 N CA 0.943 54.048 53.050 0.093 0.000 0.888 496 N CB -0.111 38.403 38.487 0.044 0.000 0.965 496 N HN 0.782 nan 8.380 nan 0.000 0.438 497 N N -2.318 116.370 118.700 -0.021 0.000 3.355 497 N HA -0.044 4.696 4.740 0.001 0.000 0.238 497 N C 0.493 175.770 175.510 -0.388 0.000 1.466 497 N CA -0.103 52.928 53.050 -0.031 0.000 0.882 497 N CB 0.544 39.049 38.487 0.029 0.000 1.406 497 N HN -0.089 nan 8.380 nan 0.000 0.500 498 T N -2.910 111.481 114.554 -0.271 0.000 2.821 498 T HA -0.200 4.150 4.350 0.001 0.000 0.267 498 T C 1.495 175.963 174.700 -0.388 0.000 1.046 498 T CA 1.741 63.592 62.100 -0.414 0.000 1.139 498 T CB -0.198 68.577 68.868 -0.156 0.000 0.871 498 T HN 0.601 nan 8.240 nan 0.000 0.454 499 Q N 0.800 120.333 119.800 -0.445 0.000 2.226 499 Q HA -0.172 4.168 4.340 0.001 0.000 0.204 499 Q C 2.280 178.013 176.000 -0.446 0.000 0.975 499 Q CA 1.527 56.831 55.803 -0.833 0.000 0.866 499 Q CB -0.180 27.950 28.738 -1.015 0.000 0.915 499 Q HN 0.731 nan 8.270 nan 0.000 0.440 500 E N -0.008 119.999 120.200 -0.322 0.000 2.110 500 E HA -0.184 4.167 4.350 0.001 0.000 0.193 500 E C 1.873 178.345 176.600 -0.213 0.000 0.988 500 E CA 1.326 57.612 56.400 -0.191 0.000 0.804 500 E CB -0.001 29.643 29.700 -0.093 0.000 0.745 500 E HN 0.452 nan 8.360 nan 0.000 0.458 501 I N -0.056 120.259 120.570 -0.424 0.000 2.286 501 I HA -0.220 3.950 4.170 0.001 0.000 0.245 501 I C 2.320 178.217 176.117 -0.366 0.000 1.104 501 I CA 0.633 61.609 61.300 -0.540 0.000 1.397 501 I CB -0.402 37.154 38.000 -0.740 0.000 1.072 501 I HN 0.372 nan 8.210 nan 0.000 0.417 502 W N 2.615 123.632 121.300 -0.471 0.000 2.364 502 W HA -0.210 4.450 4.660 0.001 0.000 0.281 502 W C 1.582 177.905 176.519 -0.327 0.000 1.219 502 W CA 1.541 58.650 57.345 -0.394 0.000 1.220 502 W CB -0.040 29.206 29.460 -0.357 0.000 1.127 502 W HN 0.267 nan 8.180 nan 0.000 0.556 503 D N -0.276 119.992 120.400 -0.221 0.000 2.213 503 D HA -0.150 4.490 4.640 0.001 0.000 0.205 503 D C 1.847 178.135 176.300 -0.021 0.000 0.961 503 D CA 1.135 55.054 54.000 -0.136 0.000 0.853 503 D CB -0.449 40.334 40.800 -0.030 0.000 0.967 503 D HN 0.367 nan 8.370 nan 0.000 0.496 504 E N 0.642 120.786 120.200 -0.093 0.000 2.051 504 E HA -0.148 4.203 4.350 0.001 0.000 0.192 504 E C 2.102 178.612 176.600 -0.150 0.000 0.991 504 E CA 0.383 56.768 56.400 -0.025 0.000 0.799 504 E CB 0.031 29.747 29.700 0.026 0.000 0.748 504 E HN 0.034 nan 8.360 nan 0.000 0.449 505 L N 1.634 122.565 121.223 -0.486 0.000 1.971 505 L HA -0.224 4.117 4.340 0.001 0.000 0.215 505 L C 2.235 178.831 176.870 -0.456 0.000 1.072 505 L CA 1.939 56.365 54.840 -0.690 0.000 0.758 505 L CB -0.995 40.465 42.059 -0.998 0.000 0.889 505 L HN 0.189 nan 8.230 nan 0.000 0.433 506 R N -1.028 119.135 120.500 -0.561 0.000 2.139 506 R HA -0.219 4.121 4.340 0.001 0.000 0.243 506 R C 1.909 178.071 176.300 -0.231 0.000 1.145 506 R CA 1.737 57.576 56.100 -0.435 0.000 0.976 506 R CB -0.426 29.558 30.300 -0.526 0.000 0.866 506 R HN 0.617 nan 8.270 nan 0.000 0.449 507 H N -0.863 118.151 119.070 -0.092 0.000 2.551 507 H HA 0.094 4.650 4.556 0.001 0.000 0.266 507 H C 1.436 176.640 175.328 -0.206 0.000 0.977 507 H CA 0.592 56.591 56.048 -0.082 0.000 1.163 507 H CB 0.358 30.079 29.762 -0.069 0.000 1.381 507 H HN 0.088 nan 8.280 nan 0.000 0.581 508 L N -1.293 119.827 121.223 -0.172 0.000 2.672 508 L HA 0.186 4.526 4.340 0.001 0.000 0.236 508 L C 0.019 176.733 176.870 -0.261 0.000 1.092 508 L CA 0.025 54.662 54.840 -0.337 0.000 0.887 508 L CB 0.867 42.698 42.059 -0.381 0.000 1.168 508 L HN 0.146 nan 8.230 nan 0.000 0.502 509 C N 1.087 120.240 119.300 -0.244 0.000 2.317 509 C HA 0.308 4.768 4.460 0.001 0.000 0.306 509 C C -1.178 173.612 174.990 -0.333 0.000 1.087 509 C CA -1.122 57.674 59.018 -0.370 0.000 1.529 509 C CB 0.312 27.674 27.740 -0.630 0.000 1.880 509 C HN 0.091 nan 8.230 nan 0.000 0.417 510 P HA -0.144 nan 4.420 nan 0.000 0.223 510 P C 0.804 178.064 177.300 -0.067 0.000 1.140 510 P CA 1.566 64.573 63.100 -0.155 0.000 0.783 510 P CB 0.191 31.807 31.700 -0.139 0.000 0.759 511 D N -3.158 117.145 120.400 -0.161 0.000 2.360 511 D HA 0.080 4.720 4.640 0.001 0.000 0.210 511 D C 0.768 177.311 176.300 0.406 0.000 1.047 511 D CA 0.481 54.505 54.000 0.041 0.000 0.854 511 D CB 0.007 40.768 40.800 -0.063 0.000 0.936 511 D HN 0.118 nan 8.370 nan 0.000 0.514 512 F N -1.139 118.868 119.950 0.095 0.000 2.728 512 F HA 0.153 4.681 4.527 0.001 0.000 0.314 512 F C 1.556 177.350 175.800 -0.010 0.000 1.094 512 F CA -1.000 57.067 58.000 0.111 0.000 1.217 512 F CB -0.937 37.977 39.000 -0.144 0.000 1.056 512 F HN -0.090 nan 8.300 nan 0.000 0.577 513 Y N 1.685 121.996 120.300 0.018 0.000 2.102 513 Y HA -0.193 4.357 4.550 0.001 0.000 0.280 513 Y C 2.427 178.316 175.900 -0.019 0.000 1.178 513 Y CA 2.042 60.077 58.100 -0.108 0.000 1.146 513 Y CB -0.657 37.717 38.460 -0.143 0.000 0.968 513 Y HN 0.053 nan 8.280 nan 0.000 0.504 514 G N -0.742 108.093 108.800 0.059 0.000 2.598 514 G HA2 0.036 3.996 3.960 0.001 0.000 0.215 514 G HA3 0.036 3.996 3.960 0.001 0.000 0.215 514 G C 0.799 175.739 174.900 0.066 0.000 1.131 514 G CA 0.306 45.408 45.100 0.003 0.000 0.785 514 G HN 0.582 nan 8.290 nan 0.000 0.539 515 A N 1.751 124.673 122.820 0.169 0.000 3.063 515 A HA 0.514 4.835 4.320 0.001 0.000 0.263 515 A C 1.107 178.845 177.584 0.257 0.000 1.736 515 A CA 0.082 52.269 52.037 0.249 0.000 1.408 515 A CB -1.013 18.220 19.000 0.388 0.000 1.108 515 A HN 0.330 nan 8.150 nan 0.000 0.621 516 T N -2.249 112.384 114.554 0.133 0.000 2.860 516 T HA 0.227 4.577 4.350 0.001 0.000 0.299 516 T C 0.918 175.726 174.700 0.181 0.000 1.045 516 T CA -0.135 62.062 62.100 0.161 0.000 1.071 516 T CB 0.438 69.324 68.868 0.030 0.000 0.985 516 T HN 0.349 nan 8.240 nan 0.000 0.537 517 Y N 0.571 120.845 120.300 -0.042 0.000 2.165 517 Y HA -0.091 4.459 4.550 0.001 0.000 0.286 517 Y C 2.691 178.549 175.900 -0.071 0.000 1.155 517 Y CA 1.734 59.741 58.100 -0.156 0.000 1.164 517 Y CB -0.608 37.768 38.460 -0.141 0.000 0.978 517 Y HN 0.943 nan 8.280 nan 0.000 0.513 518 E N 0.057 120.335 120.200 0.130 0.000 2.085 518 E HA -0.273 4.077 4.350 0.001 0.000 0.194 518 E C 2.321 178.948 176.600 0.045 0.000 0.994 518 E CA 1.649 58.092 56.400 0.072 0.000 0.801 518 E CB -0.105 29.629 29.700 0.057 0.000 0.743 518 E HN 0.374 nan 8.360 nan 0.000 0.453 519 K N -0.047 120.381 120.400 0.046 0.000 2.001 519 K HA -0.128 4.193 4.320 0.001 0.000 0.208 519 K C 2.221 178.843 176.600 0.037 0.000 1.048 519 K CA 1.548 57.862 56.287 0.047 0.000 0.932 519 K CB -0.067 32.470 32.500 0.062 0.000 0.715 519 K HN 0.160 nan 8.250 nan 0.000 0.437 520 M N 0.655 120.254 119.600 -0.001 0.000 2.202 520 M HA -0.082 4.399 4.480 0.001 0.000 0.262 520 M C 1.384 177.676 176.300 -0.013 0.000 1.063 520 M CA 1.264 56.544 55.300 -0.033 0.000 1.097 520 M CB -0.831 31.662 32.600 -0.179 0.000 1.382 520 M HN 0.475 nan 8.290 nan 0.000 0.413 521 G N 0.862 109.656 108.800 -0.011 0.000 2.574 521 G HA2 -0.321 3.639 3.960 0.001 0.000 0.295 521 G HA3 -0.321 3.639 3.960 0.001 0.000 0.295 521 G C 0.369 175.356 174.900 0.145 0.000 1.300 521 G CA 0.622 45.755 45.100 0.055 0.000 0.944 521 G HN 0.554 nan 8.290 nan 0.000 0.551 522 E N -0.552 119.732 120.200 0.139 0.000 2.190 522 E HA 0.167 4.517 4.350 0.001 0.000 0.191 522 E C 2.033 178.726 176.600 0.156 0.000 0.978 522 E CA 0.901 57.414 56.400 0.189 0.000 0.839 522 E CB 0.244 29.930 29.700 -0.023 0.000 0.787 522 E HN 0.367 nan 8.360 nan 0.000 0.473 523 L N 0.412 121.696 121.223 0.103 0.000 3.267 523 L HA 0.302 4.642 4.340 0.001 0.000 0.289 523 L C 0.708 177.655 176.870 0.128 0.000 1.260 523 L CA -0.591 54.315 54.840 0.109 0.000 1.034 523 L CB 1.258 43.362 42.059 0.075 0.000 1.413 523 L HN -0.059 nan 8.230 nan 0.000 0.594 524 G N -0.344 108.529 108.800 0.122 0.000 2.444 524 G HA2 0.338 4.298 3.960 0.001 0.000 0.268 524 G HA3 0.338 4.298 3.960 0.001 0.000 0.268 524 G C -1.374 173.656 174.900 0.217 0.000 1.203 524 G CA -0.074 45.111 45.100 0.142 0.000 0.835 524 G HN 0.047 nan 8.290 nan 0.000 0.543 525 F N 3.225 123.207 119.950 0.053 0.000 2.646 525 F HA 0.424 4.951 4.527 0.000 0.000 0.364 525 F C -0.571 175.267 175.800 0.063 0.000 1.137 525 F CA -1.193 56.840 58.000 0.055 0.000 1.085 525 F CB 1.125 40.144 39.000 0.033 0.000 1.331 525 F HN 0.145 nan 8.300 nan 0.000 0.472 526 I N 5.542 126.127 120.570 0.026 0.000 2.361 526 I HA 0.226 4.397 4.170 0.001 0.000 0.282 526 I C -0.249 175.848 176.117 -0.034 0.000 1.075 526 I CA -0.360 60.999 61.300 0.099 0.000 1.205 526 I CB 0.939 39.077 38.000 0.231 0.000 1.406 526 I HN 0.554 nan 8.210 nan 0.000 0.481 527 Q N 6.312 126.028 119.800 -0.141 0.000 2.297 527 Q HA 0.103 4.444 4.340 0.001 0.000 0.267 527 Q C -0.040 175.836 176.000 -0.208 0.000 1.006 527 Q CA -0.167 55.424 55.803 -0.353 0.000 0.896 527 Q CB 1.110 29.675 28.738 -0.288 0.000 1.186 527 Q HN 0.577 nan 8.270 nan 0.000 0.392 528 W N 2.243 123.365 121.300 -0.296 0.000 2.126 528 W HA 0.360 5.020 4.660 0.000 0.000 0.346 528 W C -2.779 173.751 176.519 0.018 0.000 1.279 528 W CA -2.372 54.965 57.345 -0.014 0.000 1.259 528 W CB -0.488 29.025 29.460 0.089 0.000 1.133 528 W HN 0.371 nan 8.180 nan 0.000 0.592 529 P HA 0.108 nan 4.420 nan 0.000 0.271 529 P C -0.756 176.760 177.300 0.361 0.000 1.216 529 P CA -0.094 63.335 63.100 0.548 0.000 0.776 529 P CB 0.862 32.783 31.700 0.369 0.000 0.881 530 C N 4.778 124.319 119.300 0.402 0.000 2.660 530 C HA 0.355 4.815 4.460 0.001 0.000 0.336 530 C C 1.337 176.497 174.990 0.283 0.000 1.058 530 C CA -0.289 58.909 59.018 0.300 0.000 1.368 530 C CB -0.412 27.532 27.740 0.340 0.000 1.884 530 C HN 0.649 nan 8.230 nan 0.000 0.454 531 R N 1.315 121.944 120.500 0.216 0.000 2.087 531 R HA 0.153 4.493 4.340 0.001 0.000 0.216 531 R C -0.218 176.245 176.300 0.271 0.000 1.114 531 R CA 0.482 56.711 56.100 0.215 0.000 1.002 531 R CB 0.132 30.515 30.300 0.138 0.000 0.903 531 R HN 0.647 nan 8.270 nan 0.000 0.445 532 D N 0.387 120.901 120.400 0.190 0.000 2.210 532 D HA 0.083 4.723 4.640 0.001 0.000 0.249 532 D C 0.461 176.824 176.300 0.105 0.000 1.078 532 D CA 0.001 54.110 54.000 0.181 0.000 0.875 532 D CB 1.853 42.725 40.800 0.119 0.000 1.175 532 D HN -0.092 nan 8.370 nan 0.000 0.440 533 T N 0.237 114.818 114.554 0.046 0.000 2.929 533 T HA -0.121 4.230 4.350 0.001 0.000 0.271 533 T C 1.162 175.868 174.700 0.010 0.000 1.085 533 T CA 0.642 62.705 62.100 -0.060 0.000 1.125 533 T CB -0.012 68.762 68.868 -0.156 0.000 0.874 533 T HN 0.421 nan 8.240 nan 0.000 0.494 534 S N 1.844 117.570 115.700 0.043 0.000 2.702 534 S HA -0.120 4.350 4.470 0.001 0.000 0.314 534 S C 1.001 175.627 174.600 0.043 0.000 1.244 534 S CA -0.282 57.944 58.200 0.044 0.000 1.058 534 S CB 0.081 63.312 63.200 0.052 0.000 0.783 534 S HN 0.243 nan 8.310 nan 0.000 0.503 535 D N 3.866 124.288 120.400 0.037 0.000 2.392 535 D HA -0.004 4.636 4.640 0.001 0.000 0.228 535 D C 1.650 177.975 176.300 0.042 0.000 1.003 535 D CA 0.943 54.967 54.000 0.040 0.000 0.917 535 D CB -0.103 40.718 40.800 0.034 0.000 0.890 535 D HN 0.712 nan 8.370 nan 0.000 0.532 536 A N -0.005 122.839 122.820 0.041 0.000 2.123 536 A HA -0.074 4.246 4.320 0.001 0.000 0.214 536 A C 1.197 178.807 177.584 0.045 0.000 1.152 536 A CA 0.217 52.277 52.037 0.039 0.000 0.728 536 A CB 0.298 19.319 19.000 0.035 0.000 0.814 536 A HN -0.038 nan 8.150 nan 0.000 0.464 537 D N 0.433 120.866 120.400 0.054 0.000 2.522 537 D HA 0.157 4.798 4.640 0.001 0.000 0.218 537 D C 0.299 176.644 176.300 0.076 0.000 1.149 537 D CA -0.158 53.881 54.000 0.065 0.000 0.981 537 D CB 0.456 41.304 40.800 0.079 0.000 1.041 537 D HN 0.125 nan 8.370 nan 0.000 0.518 538 Q N 1.454 121.295 119.800 0.067 0.000 2.444 538 Q HA 0.226 4.566 4.340 0.001 0.000 0.206 538 Q C 0.974 177.028 176.000 0.090 0.000 0.948 538 Q CA 0.105 55.955 55.803 0.079 0.000 0.946 538 Q CB 0.606 29.385 28.738 0.069 0.000 1.027 538 Q HN 0.719 nan 8.270 nan 0.000 0.513 539 G N -0.311 108.538 108.800 0.082 0.000 2.423 539 G HA2 -0.129 3.831 3.960 0.001 0.000 0.684 539 G HA3 -0.129 3.831 3.960 0.001 0.000 0.684 539 G C -0.926 173.982 174.900 0.013 0.000 1.309 539 G CA -0.821 44.325 45.100 0.076 0.000 0.950 539 G HN -0.024 nan 8.290 nan 0.000 0.587 540 T N 0.721 115.258 114.554 -0.029 0.000 2.743 540 T HA 0.541 4.891 4.350 0.001 0.000 0.292 540 T C 1.329 175.931 174.700 -0.162 0.000 0.972 540 T CA 0.583 62.614 62.100 -0.116 0.000 0.967 540 T CB 1.542 70.340 68.868 -0.117 0.000 0.926 540 T HN 0.969 nan 8.240 nan 0.000 0.459 541 S N 3.031 118.636 115.700 -0.158 0.000 2.388 541 S HA 0.078 4.548 4.470 0.001 0.000 0.223 541 S C 0.255 174.812 174.600 -0.070 0.000 1.034 541 S CA 0.522 58.670 58.200 -0.087 0.000 0.963 541 S CB -0.067 63.132 63.200 -0.001 0.000 0.827 541 S HN 0.744 nan 8.310 nan 0.000 0.481 542 Y N -0.646 119.547 120.300 -0.178 0.000 2.588 542 Y HA 0.740 5.290 4.550 0.001 0.000 0.343 542 Y C -0.946 174.791 175.900 -0.273 0.000 1.065 542 Y CA -1.632 56.335 58.100 -0.222 0.000 1.038 542 Y CB 0.662 39.012 38.460 -0.184 0.000 1.297 542 Y HN -0.057 nan 8.280 nan 0.000 0.467 543 L N 1.730 122.781 121.223 -0.288 0.000 2.376 543 L HA 0.482 4.822 4.340 0.001 0.000 0.267 543 L C -0.611 176.021 176.870 -0.397 0.000 1.035 543 L CA -1.236 53.228 54.840 -0.625 0.000 0.800 543 L CB 0.396 41.676 42.059 -1.298 0.000 1.290 543 L HN 0.851 nan 8.230 nan 0.000 0.462 544 F N -1.047 118.952 119.950 0.081 0.000 3.074 544 F HA -0.249 4.279 4.527 0.001 0.000 0.287 544 F C 1.422 177.188 175.800 -0.056 0.000 0.932 544 F CA 0.658 58.652 58.000 -0.009 0.000 0.995 544 F CB -1.953 37.098 39.000 0.084 0.000 0.966 544 F HN 0.546 nan 8.300 nan 0.000 0.721 545 K N 0.129 120.585 120.400 0.093 0.000 2.062 545 K HA -0.125 4.196 4.320 0.001 0.000 0.205 545 K C 1.785 178.408 176.600 0.039 0.000 1.051 545 K CA 1.649 58.013 56.287 0.128 0.000 0.941 545 K CB 0.222 32.724 32.500 0.002 0.000 0.719 545 K HN 0.382 nan 8.250 nan 0.000 0.440 546 E N 0.413 120.610 120.200 -0.005 0.000 2.207 546 E HA 0.020 4.370 4.350 0.001 0.000 0.197 546 E C 0.314 176.873 176.600 -0.069 0.000 0.914 546 E CA 0.638 57.024 56.400 -0.022 0.000 0.914 546 E CB 0.518 30.215 29.700 -0.005 0.000 0.893 546 E HN 0.330 nan 8.360 nan 0.000 0.479 547 K N -1.272 119.096 120.400 -0.054 0.000 2.372 547 K HA 0.386 4.706 4.320 0.001 0.000 0.251 547 K C -0.307 176.263 176.600 -0.051 0.000 1.055 547 K CA -0.663 55.579 56.287 -0.074 0.000 0.879 547 K CB 0.736 33.244 32.500 0.014 0.000 1.384 547 K HN -0.279 nan 8.250 nan 0.000 0.465 548 F N 0.964 120.947 119.950 0.054 0.000 2.693 548 F HA 0.142 4.670 4.527 0.001 0.000 0.303 548 F C -0.249 175.541 175.800 -0.017 0.000 1.097 548 F CA -0.020 57.951 58.000 -0.048 0.000 1.330 548 F CB -0.334 38.530 39.000 -0.226 0.000 1.067 548 F HN 0.745 nan 8.300 nan 0.000 0.565 549 D N -1.116 119.432 120.400 0.247 0.000 2.978 549 D HA -0.197 4.443 4.640 0.001 0.000 0.205 549 D C 0.638 176.995 176.300 0.095 0.000 1.093 549 D CA 1.565 55.688 54.000 0.205 0.000 1.006 549 D CB -1.770 39.224 40.800 0.323 0.000 1.116 549 D HN 0.381 nan 8.370 nan 0.000 0.419 550 T N -2.430 112.147 114.554 0.039 0.000 2.788 550 T HA 0.393 4.743 4.350 0.001 0.000 0.287 550 T C -1.054 173.643 174.700 -0.005 0.000 1.007 550 T CA -0.899 61.171 62.100 -0.051 0.000 1.005 550 T CB 1.323 70.136 68.868 -0.091 0.000 1.012 550 T HN -0.186 nan 8.240 nan 0.000 0.530 551 P HA -0.133 nan 4.420 nan 0.000 0.217 551 P C 0.731 178.037 177.300 0.010 0.000 1.148 551 P CA 1.316 64.415 63.100 -0.001 0.000 0.828 551 P CB -0.023 31.669 31.700 -0.015 0.000 0.783 552 N N -1.926 116.778 118.700 0.006 0.000 2.291 552 N HA 0.112 4.852 4.740 0.001 0.000 0.244 552 N C 1.140 176.667 175.510 0.028 0.000 1.216 552 N CA 0.254 53.312 53.050 0.014 0.000 0.879 552 N CB -0.169 38.322 38.487 0.006 0.000 1.167 552 N HN 0.156 nan 8.380 nan 0.000 0.515 553 G N 0.670 109.499 108.800 0.048 0.000 2.189 553 G HA2 -0.279 3.682 3.960 0.001 0.000 0.267 553 G HA3 -0.279 3.682 3.960 0.001 0.000 0.267 553 G C -0.242 174.746 174.900 0.147 0.000 0.975 553 G CA 0.773 45.924 45.100 0.085 0.000 0.644 553 G HN 0.378 nan 8.290 nan 0.000 0.537 554 L N 0.307 121.589 121.223 0.099 0.000 2.334 554 L HA 0.794 5.134 4.340 0.001 0.000 0.275 554 L C 0.944 177.786 176.870 -0.047 0.000 1.036 554 L CA -0.682 54.225 54.840 0.113 0.000 0.807 554 L CB 1.670 43.746 42.059 0.028 0.000 1.231 554 L HN 0.230 nan 8.230 nan 0.000 0.438 555 A N 1.717 124.370 122.820 -0.278 0.000 2.386 555 A HA 0.417 4.737 4.320 0.001 0.000 0.248 555 A C -0.380 177.004 177.584 -0.333 0.000 1.082 555 A CA -0.186 51.412 52.037 -0.732 0.000 0.789 555 A CB 0.455 18.758 19.000 -1.162 0.000 1.025 555 A HN 0.680 nan 8.150 nan 0.000 0.490 556 Q N 0.769 120.392 119.800 -0.296 0.000 2.394 556 Q HA 0.485 4.826 4.340 0.001 0.000 0.259 556 Q C -1.117 174.853 176.000 -0.049 0.000 1.021 556 Q CA -0.044 55.691 55.803 -0.112 0.000 0.805 556 Q CB 0.639 29.315 28.738 -0.103 0.000 1.226 556 Q HN 0.588 nan 8.270 nan 0.000 0.476 557 F N 2.628 122.539 119.950 -0.065 0.000 2.595 557 F HA 0.265 4.792 4.527 0.001 0.000 0.359 557 F C -0.035 175.821 175.800 0.093 0.000 1.147 557 F CA 0.871 58.823 58.000 -0.079 0.000 1.341 557 F CB 0.324 39.274 39.000 -0.083 0.000 1.104 557 F HN 0.500 nan 8.300 nan 0.000 0.603 558 F N 2.287 122.319 119.950 0.138 0.000 2.690 558 F HA 0.502 5.029 4.527 0.001 0.000 0.311 558 F C -1.034 174.894 175.800 0.213 0.000 1.111 558 F CA -0.314 57.779 58.000 0.156 0.000 1.003 558 F CB 1.128 40.146 39.000 0.030 0.000 1.283 558 F HN 0.573 nan 8.300 nan 0.000 0.442 559 T N 0.970 114.898 114.554 -1.043 0.000 2.661 559 T HA 0.771 5.121 4.350 0.001 0.000 0.305 559 T C -0.804 173.255 174.700 -1.068 0.000 1.441 559 T CA -0.352 61.233 62.100 -0.858 0.000 0.999 559 T CB 1.216 69.888 68.868 -0.327 0.000 1.650 559 T HN 1.598 nan 8.240 nan 0.000 0.489 560 C N -1.229 117.730 119.300 -0.569 0.000 3.276 560 C HA 0.779 5.239 4.460 0.001 0.000 0.370 560 C C -1.544 173.319 174.990 -0.210 0.000 1.624 560 C CA -0.984 57.832 59.018 -0.336 0.000 1.179 560 C CB 0.551 28.166 27.740 -0.208 0.000 1.909 560 C HN 0.959 nan 8.230 nan 0.000 0.434 561 D N 0.264 120.626 120.400 -0.063 0.000 2.255 561 D HA 0.271 4.911 4.640 0.001 0.000 0.249 561 D C -0.502 175.850 176.300 0.086 0.000 1.078 561 D CA 0.342 54.406 54.000 0.107 0.000 0.896 561 D CB 1.131 42.028 40.800 0.162 0.000 1.194 561 D HN 0.688 nan 8.370 nan 0.000 0.429 562 W N 2.548 123.887 121.300 0.065 0.000 2.148 562 W HA 0.250 4.910 4.660 0.000 0.000 0.347 562 W C -1.050 175.478 176.519 0.014 0.000 1.288 562 W CA 0.020 57.372 57.345 0.011 0.000 1.252 562 W CB 0.427 29.933 29.460 0.077 0.000 1.156 562 W HN 0.015 nan 8.180 nan 0.000 0.580 563 V N 5.360 124.497 119.914 -1.295 0.000 2.711 563 V HA 0.543 4.663 4.120 0.001 0.000 0.304 563 V C 0.215 175.431 176.094 -1.464 0.000 1.097 563 V CA -1.078 60.538 62.300 -1.140 0.000 0.906 563 V CB 0.727 32.292 31.823 -0.431 0.000 1.015 563 V HN 0.886 nan 8.190 nan 0.000 0.427 564 A N 6.202 128.176 122.820 -1.410 0.000 2.406 564 A HA 0.703 5.024 4.320 0.001 0.000 0.243 564 A C -2.261 175.127 177.584 -0.326 0.000 1.082 564 A CA -0.764 50.867 52.037 -0.676 0.000 0.786 564 A CB -0.270 18.558 19.000 -0.288 0.000 1.029 564 A HN 0.670 nan 8.150 nan 0.000 0.495 565 P HA 0.132 nan 4.420 nan 0.000 0.271 565 P C 0.881 178.035 177.300 -0.244 0.000 1.244 565 P CA -0.352 62.581 63.100 -0.279 0.000 0.793 565 P CB 0.329 31.545 31.700 -0.808 0.000 0.984 566 I N -0.761 119.695 120.570 -0.190 0.000 2.045 566 I HA -0.195 3.975 4.170 0.001 0.000 0.233 566 I C 0.563 176.642 176.117 -0.063 0.000 1.048 566 I CA 1.487 62.681 61.300 -0.176 0.000 1.313 566 I CB -0.677 37.194 38.000 -0.214 0.000 1.043 566 I HN 0.347 nan 8.210 nan 0.000 0.393 567 D N 2.180 122.599 120.400 0.032 0.000 2.370 567 D HA 0.009 4.649 4.640 0.001 0.000 0.235 567 D C 0.143 176.528 176.300 0.142 0.000 1.228 567 D CA 0.583 54.641 54.000 0.096 0.000 0.884 567 D CB 0.336 41.229 40.800 0.155 0.000 1.201 567 D HN 0.141 nan 8.370 nan 0.000 0.456 568 K N 1.021 121.506 120.400 0.143 0.000 2.426 568 K HA 0.276 4.597 4.320 0.001 0.000 0.254 568 K C -0.710 176.006 176.600 0.193 0.000 0.936 568 K CA -0.660 55.724 56.287 0.162 0.000 0.801 568 K CB 0.879 33.442 32.500 0.105 0.000 1.139 568 K HN 0.329 nan 8.250 nan 0.000 0.424 569 L N 5.003 126.353 121.223 0.211 0.000 2.597 569 L HA 0.017 4.357 4.340 0.001 0.000 0.271 569 L C 1.282 178.233 176.870 0.135 0.000 1.157 569 L CA -0.001 54.950 54.840 0.184 0.000 0.928 569 L CB 0.042 42.197 42.059 0.160 0.000 1.216 569 L HN 0.845 nan 8.230 nan 0.000 0.481 570 T N -1.453 113.185 114.554 0.139 0.000 2.994 570 T HA 0.063 4.413 4.350 0.001 0.000 0.322 570 T C 0.988 175.654 174.700 -0.056 0.000 1.199 570 T CA 0.023 62.149 62.100 0.042 0.000 0.945 570 T CB 0.722 69.617 68.868 0.045 0.000 1.754 570 T HN 0.714 nan 8.240 nan 0.000 0.571 571 D N -0.921 119.402 120.400 -0.128 0.000 2.346 571 D HA -0.015 4.625 4.640 0.001 0.000 0.206 571 D C 1.458 177.614 176.300 -0.240 0.000 1.001 571 D CA 0.230 54.151 54.000 -0.132 0.000 0.871 571 D CB 0.023 40.766 40.800 -0.096 0.000 0.943 571 D HN 0.449 nan 8.370 nan 0.000 0.518 572 E N 0.075 119.983 120.200 -0.486 0.000 2.190 572 E HA -0.021 4.329 4.350 0.001 0.000 0.191 572 E C 0.053 176.153 176.600 -0.832 0.000 0.978 572 E CA 0.555 56.486 56.400 -0.781 0.000 0.839 572 E CB 0.130 29.063 29.700 -1.278 0.000 0.787 572 E HN 0.496 nan 8.360 nan 0.000 0.473 573 Y N 0.077 120.384 120.300 0.011 0.000 2.480 573 Y HA 0.286 4.837 4.550 0.000 0.000 0.356 573 Y C -1.831 174.078 175.900 0.015 0.000 0.922 573 Y CA -2.481 55.626 58.100 0.012 0.000 1.146 573 Y CB 0.480 38.952 38.460 0.020 0.000 1.185 573 Y HN -0.036 nan 8.280 nan 0.000 0.624 574 P HA -0.109 nan 4.420 nan 0.000 0.236 574 P C 0.296 177.625 177.300 0.049 0.000 1.172 574 P CA 0.879 64.005 63.100 0.044 0.000 0.759 574 P CB 0.266 31.973 31.700 0.011 0.000 0.843 575 M N 0.617 120.251 119.600 0.057 0.000 2.217 575 M HA 0.104 4.584 4.480 0.001 0.000 0.352 575 M C -0.119 176.155 176.300 -0.043 0.000 1.376 575 M CA -0.205 55.104 55.300 0.015 0.000 1.107 575 M CB 0.657 33.278 32.600 0.034 0.000 1.723 575 M HN -0.299 nan 8.290 nan 0.000 0.461 576 V N 6.003 125.833 119.914 -0.140 0.000 2.350 576 V HA 0.275 4.396 4.120 0.001 0.000 0.276 576 V C -0.206 175.687 176.094 -0.335 0.000 1.028 576 V CA -0.913 61.194 62.300 -0.321 0.000 0.860 576 V CB 1.415 32.984 31.823 -0.423 0.000 0.990 576 V HN 0.685 nan 8.190 nan 0.000 0.453 577 L N 5.218 126.267 121.223 -0.290 0.000 2.276 577 L HA 0.601 4.941 4.340 0.001 0.000 0.286 577 L C 0.252 176.948 176.870 -0.289 0.000 1.061 577 L CA 0.782 55.470 54.840 -0.253 0.000 0.807 577 L CB 1.553 43.541 42.059 -0.118 0.000 1.177 577 L HN 0.626 nan 8.230 nan 0.000 0.429 578 S N 3.315 118.778 115.700 -0.395 0.000 2.669 578 S HA 0.491 4.962 4.470 0.001 0.000 0.315 578 S C -0.216 174.363 174.600 -0.036 0.000 1.106 578 S CA -0.332 57.732 58.200 -0.226 0.000 1.107 578 S CB 0.204 63.257 63.200 -0.246 0.000 0.990 578 S HN 0.893 nan 8.310 nan 0.000 0.471 579 T N 2.253 116.820 114.554 0.023 0.000 2.884 579 T HA 0.637 4.988 4.350 0.001 0.000 0.298 579 T C 0.307 175.071 174.700 0.106 0.000 0.998 579 T CA -0.435 61.714 62.100 0.081 0.000 1.124 579 T CB 1.271 70.174 68.868 0.058 0.000 0.931 579 T HN 0.538 nan 8.240 nan 0.000 0.531 580 V N 2.949 122.957 119.914 0.157 0.000 3.703 580 V HA 0.809 4.929 4.120 0.001 0.000 0.306 580 V C -1.069 175.129 176.094 0.174 0.000 1.407 580 V CA -1.113 61.275 62.300 0.146 0.000 0.974 580 V CB 2.043 33.971 31.823 0.175 0.000 1.188 580 V HN 1.296 nan 8.190 nan 0.000 0.477 581 R N 0.964 121.548 120.500 0.140 0.000 2.869 581 R HA 0.681 5.021 4.340 0.001 0.000 0.263 581 R C -1.425 174.917 176.300 0.070 0.000 1.066 581 R CA -0.650 55.519 56.100 0.114 0.000 0.960 581 R CB 1.900 32.250 30.300 0.084 0.000 1.221 581 R HN 0.806 nan 8.270 nan 0.000 0.474 582 E N 0.739 120.964 120.200 0.042 0.000 2.359 582 E HA 0.460 4.810 4.350 0.001 0.000 0.266 582 E C -0.838 175.783 176.600 0.035 0.000 0.920 582 E CA -1.056 55.387 56.400 0.072 0.000 0.788 582 E CB 2.221 32.025 29.700 0.174 0.000 1.279 582 E HN 0.346 nan 8.360 nan 0.000 0.438 583 V N 0.438 120.371 119.914 0.031 0.000 3.214 583 V HA 0.415 4.535 4.120 0.001 0.000 0.306 583 V C 1.500 177.581 176.094 -0.021 0.000 1.078 583 V CA 0.390 62.688 62.300 -0.004 0.000 1.077 583 V CB 0.488 32.303 31.823 -0.012 0.000 1.121 583 V HN 1.129 nan 8.190 nan 0.000 0.468 584 G N 0.020 108.752 108.800 -0.114 0.000 2.302 584 G HA2 -0.222 3.738 3.960 0.001 0.000 0.263 584 G HA3 -0.222 3.738 3.960 0.001 0.000 0.263 584 G C 0.184 174.709 174.900 -0.624 0.000 0.995 584 G CA 0.616 45.550 45.100 -0.277 0.000 0.622 584 G HN 0.867 nan 8.290 nan 0.000 0.538 585 H N -1.619 117.378 119.070 -0.121 0.000 2.759 585 H HA 0.486 5.042 4.556 0.000 0.000 0.354 585 H C -1.607 173.604 175.328 -0.196 0.000 1.074 585 H CA -0.701 55.220 56.048 -0.211 0.000 1.226 585 H CB 1.731 31.309 29.762 -0.307 0.000 1.648 585 H HN 0.176 nan 8.280 nan 0.000 0.529 586 Y N 2.440 122.606 120.300 -0.224 0.000 2.345 586 Y HA 0.236 4.786 4.550 0.000 0.000 0.331 586 Y C 0.795 176.584 175.900 -0.184 0.000 0.959 586 Y CA 0.154 58.159 58.100 -0.158 0.000 1.204 586 Y CB 0.665 39.102 38.460 -0.039 0.000 1.135 586 Y HN 0.923 nan 8.280 nan 0.000 0.477 587 S N 1.747 117.023 115.700 -0.707 0.000 4.112 587 S HA -0.417 4.053 4.470 0.001 0.000 0.602 587 S C 1.649 175.930 174.600 -0.531 0.000 1.939 587 S CA 1.401 59.193 58.200 -0.681 0.000 4.230 587 S CB -1.621 61.416 63.200 -0.271 0.000 0.245 587 S HN 0.943 nan 8.310 nan 0.000 0.530 588 C N 2.844 122.034 119.300 -0.185 0.000 2.398 588 C HA -0.051 4.409 4.460 0.001 0.000 0.279 588 C C 2.040 177.034 174.990 0.006 0.000 1.250 588 C CA 2.064 61.074 59.018 -0.013 0.000 1.786 588 C CB -1.574 26.219 27.740 0.089 0.000 2.018 588 C HN 0.750 nan 8.230 nan 0.000 0.494 589 R N -1.224 119.193 120.500 -0.138 0.000 3.878 589 R HA -0.185 4.155 4.340 0.001 0.000 0.330 589 R C 1.203 177.356 176.300 -0.244 0.000 1.186 589 R CA 0.745 56.696 56.100 -0.249 0.000 0.885 589 R CB -1.684 28.288 30.300 -0.547 0.000 1.377 589 R HN 0.551 nan 8.270 nan 0.000 0.523 590 S N -0.801 114.828 115.700 -0.119 0.000 2.395 590 S HA 0.064 4.534 4.470 0.001 0.000 0.225 590 S C 1.571 175.773 174.600 -0.662 0.000 1.027 590 S CA 1.150 59.188 58.200 -0.271 0.000 0.965 590 S CB 0.105 63.285 63.200 -0.033 0.000 0.812 590 S HN 0.421 nan 8.310 nan 0.000 0.482 591 M N -0.570 118.821 119.600 -0.350 0.000 2.384 591 M HA 0.037 4.517 4.480 0.001 0.000 0.258 591 M C 2.422 178.626 176.300 -0.160 0.000 1.130 591 M CA 1.105 56.148 55.300 -0.429 0.000 1.187 591 M CB -0.778 31.400 32.600 -0.704 0.000 1.307 591 M HN 0.119 nan 8.290 nan 0.000 0.468 592 T N 0.456 114.965 114.554 -0.074 0.000 2.684 592 T HA -0.136 4.214 4.350 0.001 0.000 0.267 592 T C 1.672 176.330 174.700 -0.069 0.000 1.036 592 T CA 1.847 63.899 62.100 -0.080 0.000 1.148 592 T CB -0.670 68.105 68.868 -0.155 0.000 0.863 592 T HN 0.641 nan 8.240 nan 0.000 0.436 593 G N 0.997 109.719 108.800 -0.130 0.000 2.509 593 G HA2 -0.141 3.820 3.960 0.001 0.000 0.218 593 G HA3 -0.141 3.820 3.960 0.001 0.000 0.218 593 G C 1.387 176.210 174.900 -0.127 0.000 1.124 593 G CA 0.285 45.293 45.100 -0.153 0.000 0.776 593 G HN 0.410 nan 8.290 nan 0.000 0.547 594 N N -0.272 118.359 118.700 -0.115 0.000 2.276 594 N HA 0.080 4.820 4.740 0.001 0.000 0.212 594 N C -0.605 174.964 175.510 0.098 0.000 1.127 594 N CA -0.012 53.030 53.050 -0.014 0.000 0.834 594 N CB 0.288 38.765 38.487 -0.016 0.000 1.014 594 N HN 0.045 nan 8.380 nan 0.000 0.491 595 C N 0.864 120.201 119.300 0.062 0.000 2.251 595 C HA 0.491 4.952 4.460 0.001 0.000 0.323 595 C C 2.023 176.993 174.990 -0.033 0.000 1.241 595 C CA -1.039 58.001 59.018 0.037 0.000 1.601 595 C CB 0.146 27.916 27.740 0.051 0.000 2.251 595 C HN 0.439 nan 8.230 nan 0.000 0.488 596 A N 3.764 126.552 122.820 -0.054 0.000 1.882 596 A HA -0.247 4.074 4.320 0.001 0.000 0.220 596 A C 2.291 179.815 177.584 -0.101 0.000 1.253 596 A CA 2.827 54.825 52.037 -0.065 0.000 0.664 596 A CB -0.998 17.958 19.000 -0.072 0.000 0.838 596 A HN 1.128 nan 8.150 nan 0.000 0.460 597 A N -1.049 121.672 122.820 -0.166 0.000 1.930 597 A HA 0.081 4.401 4.320 0.001 0.000 0.217 597 A C 2.177 179.609 177.584 -0.253 0.000 1.175 597 A CA 1.477 53.342 52.037 -0.287 0.000 0.627 597 A CB -0.526 18.113 19.000 -0.602 0.000 0.815 597 A HN 0.516 nan 8.150 nan 0.000 0.443 598 L N -1.008 120.097 121.223 -0.196 0.000 2.156 598 L HA -0.083 4.257 4.340 0.001 0.000 0.208 598 L C 3.024 179.868 176.870 -0.043 0.000 1.095 598 L CA 0.823 55.534 54.840 -0.214 0.000 0.770 598 L CB -0.621 41.243 42.059 -0.325 0.000 0.914 598 L HN 0.406 nan 8.230 nan 0.000 0.439 599 A N 0.583 123.420 122.820 0.027 0.000 1.933 599 A HA -0.149 4.171 4.320 0.001 0.000 0.218 599 A C 2.460 180.099 177.584 0.092 0.000 1.175 599 A CA 1.659 53.770 52.037 0.123 0.000 0.628 599 A CB -0.600 18.425 19.000 0.042 0.000 0.814 599 A HN 0.381 nan 8.150 nan 0.000 0.444 600 A N -0.924 121.904 122.820 0.014 0.000 2.216 600 A HA 0.198 4.518 4.320 0.001 0.000 0.214 600 A C 1.818 179.407 177.584 0.008 0.000 1.160 600 A CA 1.136 53.169 52.037 -0.007 0.000 0.725 600 A CB -0.432 18.536 19.000 -0.054 0.000 0.784 600 A HN 0.485 nan 8.150 nan 0.000 0.472 601 L N -2.107 119.147 121.223 0.052 0.000 2.556 601 L HA 0.437 4.777 4.340 0.001 0.000 0.226 601 L C 0.670 177.629 176.870 0.148 0.000 1.089 601 L CA 0.519 55.399 54.840 0.067 0.000 0.864 601 L CB 0.211 42.291 42.059 0.034 0.000 1.067 601 L HN 0.312 nan 8.230 nan 0.000 0.477 602 A N -0.666 122.297 122.820 0.238 0.000 2.518 602 A HA 0.536 4.856 4.320 0.001 0.000 0.295 602 A C -1.556 176.073 177.584 0.073 0.000 1.052 602 A CA -0.592 51.541 52.037 0.159 0.000 0.824 602 A CB 1.478 20.660 19.000 0.304 0.000 1.325 602 A HN -0.062 nan 8.150 nan 0.000 0.394 603 D N 0.328 120.633 120.400 -0.158 0.000 2.758 603 D HA 0.409 5.049 4.640 0.001 0.000 0.262 603 D C -0.415 175.494 176.300 -0.651 0.000 1.113 603 D CA -0.303 53.603 54.000 -0.156 0.000 1.114 603 D CB 1.136 41.891 40.800 -0.076 0.000 1.363 603 D HN 0.506 nan 8.370 nan 0.000 0.617 604 E N 0.306 120.145 120.200 -0.601 0.000 2.418 604 E HA 0.132 4.482 4.350 0.001 0.000 0.261 604 E C -1.568 174.626 176.600 -0.677 0.000 1.070 604 E CA -0.952 55.001 56.400 -0.745 0.000 0.931 604 E CB 0.434 29.556 29.700 -0.963 0.000 0.954 604 E HN 0.255 nan 8.360 nan 0.000 0.439 605 P HA 0.137 nan 4.420 nan 0.000 0.234 605 P C 0.067 176.866 177.300 -0.835 0.000 1.175 605 P CA 0.542 63.287 63.100 -0.592 0.000 0.801 605 P CB 0.620 32.062 31.700 -0.431 0.000 0.891 606 G N -1.587 106.522 108.800 -1.152 0.000 2.343 606 G HA2 0.070 4.030 3.960 0.001 0.000 0.465 606 G HA3 0.070 4.030 3.960 0.001 0.000 0.465 606 G C -1.993 172.460 174.900 -0.744 0.000 1.282 606 G CA -1.008 43.304 45.100 -1.313 0.000 0.996 606 G HN -0.051 nan 8.290 nan 0.000 0.521 607 Y N -0.170 119.909 120.300 -0.368 0.000 2.485 607 Y HA 0.718 5.269 4.550 0.000 0.000 0.345 607 Y C 0.617 176.465 175.900 -0.086 0.000 0.998 607 Y CA 0.098 58.082 58.100 -0.193 0.000 1.059 607 Y CB 2.604 40.981 38.460 -0.137 0.000 1.234 607 Y HN 1.121 nan 8.280 nan 0.000 0.461 608 A N 2.835 125.739 122.820 0.140 0.000 2.291 608 A HA 0.429 4.750 4.320 0.001 0.000 0.311 608 A C -0.960 176.698 177.584 0.125 0.000 1.224 608 A CA -0.837 51.262 52.037 0.103 0.000 0.821 608 A CB 0.393 19.421 19.000 0.046 0.000 1.172 608 A HN 0.797 nan 8.150 nan 0.000 0.494 609 Q N 2.192 122.082 119.800 0.150 0.000 2.300 609 Q HA 0.271 4.612 4.340 0.001 0.000 0.262 609 Q C -0.674 175.413 176.000 0.144 0.000 1.109 609 Q CA 0.709 56.598 55.803 0.144 0.000 0.905 609 Q CB 0.365 29.227 28.738 0.206 0.000 1.280 609 Q HN 0.673 nan 8.270 nan 0.000 0.426 610 I N 1.893 122.517 120.570 0.091 0.000 2.441 610 I HA 0.212 4.382 4.170 0.001 0.000 0.295 610 I C 0.356 176.510 176.117 0.060 0.000 0.994 610 I CA -0.907 60.437 61.300 0.073 0.000 1.144 610 I CB 1.544 39.576 38.000 0.053 0.000 1.314 610 I HN 0.546 nan 8.210 nan 0.000 0.445 611 N N 3.719 122.455 118.700 0.061 0.000 2.483 611 N HA 0.036 4.776 4.740 0.001 0.000 0.264 611 N C 0.711 176.237 175.510 0.027 0.000 1.197 611 N CA 0.150 53.228 53.050 0.046 0.000 0.927 611 N CB 1.241 39.758 38.487 0.049 0.000 1.065 611 N HN 0.619 nan 8.380 nan 0.000 0.461 612 T N 3.805 118.369 114.554 0.017 0.000 2.452 612 T HA -0.228 4.122 4.350 0.001 0.000 0.251 612 T C 1.434 176.139 174.700 0.008 0.000 1.232 612 T CA 1.435 63.540 62.100 0.009 0.000 1.226 612 T CB -0.477 68.392 68.868 0.002 0.000 0.864 612 T HN 0.628 nan 8.240 nan 0.000 0.399 613 E N 0.910 121.114 120.200 0.006 0.000 2.095 613 E HA -0.284 4.066 4.350 0.001 0.000 0.212 613 E C 2.026 178.630 176.600 0.007 0.000 1.044 613 E CA 2.011 58.414 56.400 0.005 0.000 0.857 613 E CB -0.299 29.403 29.700 0.003 0.000 0.764 613 E HN 0.768 nan 8.360 nan 0.000 0.462 614 D N -0.771 119.636 120.400 0.011 0.000 2.347 614 D HA 0.010 4.650 4.640 0.001 0.000 0.213 614 D C 1.618 177.925 176.300 0.013 0.000 0.985 614 D CA 0.891 54.898 54.000 0.011 0.000 0.879 614 D CB 0.129 40.937 40.800 0.014 0.000 0.919 614 D HN 0.173 nan 8.370 nan 0.000 0.526 615 A N 1.023 123.852 122.820 0.015 0.000 1.929 615 A HA -0.096 4.224 4.320 0.001 0.000 0.216 615 A C 2.076 179.666 177.584 0.012 0.000 1.176 615 A CA 0.977 53.024 52.037 0.016 0.000 0.628 615 A CB -0.444 18.568 19.000 0.019 0.000 0.816 615 A HN 0.168 nan 8.150 nan 0.000 0.444 616 K N -0.811 119.594 120.400 0.008 0.000 2.360 616 K HA -0.101 4.220 4.320 0.001 0.000 0.201 616 K C 1.746 178.349 176.600 0.004 0.000 1.046 616 K CA 1.128 57.418 56.287 0.005 0.000 0.940 616 K CB -0.041 32.461 32.500 0.003 0.000 0.748 616 K HN 0.329 nan 8.250 nan 0.000 0.465 617 R N 0.585 121.088 120.500 0.004 0.000 2.613 617 R HA 0.129 4.470 4.340 0.001 0.000 0.361 617 R C 0.571 176.873 176.300 0.003 0.000 1.072 617 R CA 0.029 56.130 56.100 0.002 0.000 1.089 617 R CB 0.481 30.781 30.300 0.000 0.000 1.343 617 R HN 0.127 nan 8.270 nan 0.000 0.571 618 L N -1.152 120.075 121.223 0.006 0.000 2.803 618 L HA 0.282 4.623 4.340 0.001 0.000 0.246 618 L C 0.680 177.557 176.870 0.011 0.000 1.100 618 L CA 1.202 56.048 54.840 0.009 0.000 0.919 618 L CB 0.661 42.729 42.059 0.015 0.000 1.285 618 L HN 0.471 nan 8.230 nan 0.000 0.522 619 G N 2.077 110.883 108.800 0.010 0.000 2.248 619 G HA2 -0.242 3.718 3.960 0.001 0.000 0.252 619 G HA3 -0.242 3.718 3.960 0.001 0.000 0.252 619 G C -0.173 174.736 174.900 0.015 0.000 1.085 619 G CA 0.164 45.271 45.100 0.011 0.000 0.845 619 G HN 0.297 nan 8.290 nan 0.000 0.494 620 I N -0.581 119.999 120.570 0.016 0.000 2.569 620 I HA 0.591 4.761 4.170 0.001 0.000 0.290 620 I C -0.334 175.792 176.117 0.015 0.000 1.088 620 I CA -0.949 60.362 61.300 0.018 0.000 1.047 620 I CB 2.100 40.115 38.000 0.024 0.000 1.237 620 I HN -0.013 nan 8.210 nan 0.000 0.421 621 E N 2.926 123.134 120.200 0.013 0.000 2.359 621 E HA 0.266 4.616 4.350 0.001 0.000 0.266 621 E C -1.368 175.243 176.600 0.018 0.000 0.920 621 E CA -0.818 55.589 56.400 0.013 0.000 0.788 621 E CB 2.228 31.933 29.700 0.008 0.000 1.279 621 E HN 0.473 nan 8.360 nan 0.000 0.438 622 D N 1.463 121.875 120.400 0.021 0.000 2.601 622 D HA -0.131 4.509 4.640 0.001 0.000 0.229 622 D C 0.132 176.457 176.300 0.043 0.000 1.140 622 D CA 1.075 55.097 54.000 0.036 0.000 0.862 622 D CB 0.461 41.272 40.800 0.018 0.000 1.192 622 D HN 0.370 nan 8.370 nan 0.000 0.480 623 E N -1.361 118.891 120.200 0.087 0.000 3.547 623 E HA -0.239 4.111 4.350 0.001 0.000 0.300 623 E C -0.334 176.248 176.600 -0.030 0.000 0.857 623 E CA 1.185 57.613 56.400 0.046 0.000 1.039 623 E CB -2.090 27.629 29.700 0.032 0.000 1.524 623 E HN 0.486 nan 8.360 nan 0.000 0.457 624 A N 0.976 123.782 122.820 -0.023 0.000 2.309 624 A HA 0.591 4.911 4.320 0.001 0.000 0.298 624 A C 0.540 178.073 177.584 -0.086 0.000 1.165 624 A CA -0.469 51.541 52.037 -0.045 0.000 0.821 624 A CB 0.536 19.525 19.000 -0.018 0.000 1.102 624 A HN 0.150 nan 8.150 nan 0.000 0.500 625 L N 2.538 123.694 121.223 -0.113 0.000 2.416 625 L HA 0.376 4.716 4.340 0.001 0.000 0.272 625 L C 0.101 176.879 176.870 -0.153 0.000 1.161 625 L CA 0.070 54.804 54.840 -0.177 0.000 0.845 625 L CB 0.845 42.792 42.059 -0.187 0.000 1.119 625 L HN 0.529 nan 8.230 nan 0.000 0.464 626 V N 3.066 122.855 119.914 -0.208 0.000 3.160 626 V HA 0.510 4.631 4.120 0.001 0.000 0.310 626 V C -1.558 174.409 176.094 -0.213 0.000 1.181 626 V CA -0.547 61.687 62.300 -0.110 0.000 1.047 626 V CB 2.647 34.456 31.823 -0.024 0.000 1.068 626 V HN 0.668 nan 8.190 nan 0.000 0.441 627 W N 1.802 123.140 121.300 0.064 0.000 2.627 627 W HA 0.746 5.407 4.660 0.001 0.000 0.339 627 W C -0.792 175.832 176.519 0.174 0.000 1.058 627 W CA -0.603 56.815 57.345 0.121 0.000 1.223 627 W CB 2.058 31.670 29.460 0.253 0.000 1.389 627 W HN 0.390 nan 8.180 nan 0.000 0.541 628 V N 3.036 123.205 119.914 0.425 0.000 2.409 628 V HA 0.292 4.412 4.120 0.001 0.000 0.290 628 V C -0.645 175.609 176.094 0.266 0.000 1.017 628 V CA -1.021 61.456 62.300 0.295 0.000 0.841 628 V CB 0.493 32.396 31.823 0.133 0.000 1.003 628 V HN 0.474 nan 8.190 nan 0.000 0.426 629 H N 1.857 120.990 119.070 0.105 0.000 2.544 629 H HA 0.904 5.461 4.556 0.001 0.000 0.342 629 H C 0.275 175.583 175.328 -0.034 0.000 1.185 629 H CA -0.058 56.014 56.048 0.040 0.000 1.264 629 H CB 1.902 31.671 29.762 0.012 0.000 1.607 629 H HN 0.854 nan 8.280 nan 0.000 0.550 630 S N 0.037 115.753 115.700 0.026 0.000 2.597 630 S HA 0.222 4.692 4.470 0.001 0.000 0.274 630 S C 0.376 174.939 174.600 -0.061 0.000 1.132 630 S CA -0.998 57.170 58.200 -0.054 0.000 0.835 630 S CB 1.049 64.231 63.200 -0.029 0.000 1.092 630 S HN 0.712 nan 8.310 nan 0.000 0.457 631 R N 0.972 121.423 120.500 -0.083 0.000 2.170 631 R HA -0.037 4.304 4.340 0.001 0.000 0.242 631 R C 1.235 177.513 176.300 -0.036 0.000 1.145 631 R CA 1.351 57.415 56.100 -0.060 0.000 0.984 631 R CB -0.239 30.025 30.300 -0.060 0.000 0.869 631 R HN 0.466 nan 8.270 nan 0.000 0.455 632 K N -0.431 119.951 120.400 -0.030 0.000 2.323 632 K HA 0.197 4.518 4.320 0.001 0.000 0.197 632 K C 1.046 177.637 176.600 -0.014 0.000 1.043 632 K CA 0.819 57.096 56.287 -0.017 0.000 0.997 632 K CB 1.100 33.594 32.500 -0.010 0.000 0.807 632 K HN 0.304 nan 8.250 nan 0.000 0.497 633 G N 0.566 109.354 108.800 -0.020 0.000 2.435 633 G HA2 0.307 4.267 3.960 0.001 0.000 0.296 633 G HA3 0.307 4.267 3.960 0.001 0.000 0.296 633 G C -1.729 173.134 174.900 -0.062 0.000 1.240 633 G CA -0.615 44.469 45.100 -0.026 0.000 0.872 633 G HN -0.042 nan 8.290 nan 0.000 0.480 634 K N 0.036 120.391 120.400 -0.076 0.000 2.670 634 K HA 0.448 4.769 4.320 0.001 0.000 0.274 634 K C -1.623 175.027 176.600 0.084 0.000 1.068 634 K CA -0.684 55.485 56.287 -0.196 0.000 0.967 634 K CB 1.251 33.358 32.500 -0.656 0.000 1.297 634 K HN 0.351 nan 8.250 nan 0.000 0.477 635 I N 3.995 124.649 120.570 0.139 0.000 2.676 635 I HA 0.413 4.583 4.170 0.001 0.000 0.309 635 I C 0.192 176.325 176.117 0.025 0.000 0.990 635 I CA -1.340 60.040 61.300 0.133 0.000 1.168 635 I CB 1.660 39.695 38.000 0.060 0.000 1.343 635 I HN 0.688 nan 8.210 nan 0.000 0.482 636 I N 4.277 124.685 120.570 -0.271 0.000 2.412 636 I HA 0.469 4.639 4.170 0.001 0.000 0.296 636 I C -0.414 175.469 176.117 -0.389 0.000 0.987 636 I CA 0.036 60.911 61.300 -0.707 0.000 1.180 636 I CB 1.455 38.855 38.000 -0.999 0.000 1.340 636 I HN 0.780 nan 8.210 nan 0.000 0.455 637 T N 4.358 118.687 114.554 -0.374 0.000 2.792 637 T HA 0.466 4.817 4.350 0.001 0.000 0.303 637 T C -0.674 173.841 174.700 -0.308 0.000 1.310 637 T CA -0.984 60.933 62.100 -0.305 0.000 1.007 637 T CB 1.835 70.586 68.868 -0.194 0.000 1.335 637 T HN 0.736 nan 8.240 nan 0.000 0.504 638 R N 0.521 120.802 120.500 -0.365 0.000 2.368 638 R HA 0.766 5.107 4.340 0.001 0.000 0.302 638 R C 0.155 176.361 176.300 -0.156 0.000 1.002 638 R CA -0.484 55.408 56.100 -0.346 0.000 0.929 638 R CB 0.839 30.765 30.300 -0.622 0.000 1.073 638 R HN 0.980 nan 8.270 nan 0.000 0.464 639 A N 3.004 125.800 122.820 -0.040 0.000 2.296 639 A HA 0.245 4.566 4.320 0.001 0.000 0.264 639 A C -0.564 177.145 177.584 0.208 0.000 1.097 639 A CA -0.284 51.794 52.037 0.068 0.000 0.811 639 A CB 0.707 19.727 19.000 0.033 0.000 1.072 639 A HN 0.783 nan 8.150 nan 0.000 0.495 640 Q N 0.570 120.458 119.800 0.147 0.000 3.402 640 Q HA 0.374 4.714 4.340 0.001 0.000 0.196 640 Q C -1.827 174.184 176.000 0.019 0.000 0.825 640 Q CA -0.292 55.554 55.803 0.072 0.000 0.814 640 Q CB 1.114 29.801 28.738 -0.085 0.000 1.454 640 Q HN 0.588 nan 8.270 nan 0.000 0.460 641 V N 2.607 122.533 119.914 0.020 0.000 2.572 641 V HA 0.531 4.652 4.120 0.001 0.000 0.291 641 V C 0.257 176.347 176.094 -0.007 0.000 1.039 641 V CA 0.646 62.954 62.300 0.013 0.000 1.055 641 V CB 0.873 32.705 31.823 0.014 0.000 0.969 641 V HN 0.810 nan 8.190 nan 0.000 0.482 642 S N 1.993 117.691 115.700 -0.003 0.000 2.636 642 S HA 0.339 4.810 4.470 0.001 0.000 0.266 642 S C -0.285 174.312 174.600 -0.006 0.000 1.147 642 S CA -0.798 57.393 58.200 -0.016 0.000 0.815 642 S CB 1.777 64.956 63.200 -0.036 0.000 1.119 642 S HN 0.559 nan 8.310 nan 0.000 0.470 643 D N 0.015 120.407 120.400 -0.013 0.000 2.328 643 D HA 0.195 4.835 4.640 0.001 0.000 0.226 643 D C 1.371 177.663 176.300 -0.013 0.000 1.066 643 D CA 0.144 54.138 54.000 -0.010 0.000 0.861 643 D CB 0.146 40.937 40.800 -0.015 0.000 0.912 643 D HN 0.391 nan 8.370 nan 0.000 0.521 644 R N 0.689 121.178 120.500 -0.019 0.000 2.057 644 R HA 0.058 4.398 4.340 0.001 0.000 0.224 644 R C -1.571 174.711 176.300 -0.029 0.000 1.136 644 R CA 0.332 56.413 56.100 -0.032 0.000 0.968 644 R CB -1.034 29.233 30.300 -0.055 0.000 0.863 644 R HN 0.183 nan 8.270 nan 0.000 0.433 645 P HA -0.027 nan 4.420 nan 0.000 0.271 645 P C -1.177 176.194 177.300 0.119 0.000 1.218 645 P CA 0.157 63.313 63.100 0.095 0.000 0.780 645 P CB 0.343 32.186 31.700 0.238 0.000 0.901 646 N N 2.163 120.970 118.700 0.178 0.000 2.470 646 N HA 0.025 4.765 4.740 0.001 0.000 0.268 646 N C -0.067 175.510 175.510 0.111 0.000 1.136 646 N CA -0.254 52.869 53.050 0.121 0.000 0.961 646 N CB 0.678 39.250 38.487 0.142 0.000 1.067 646 N HN 0.341 nan 8.380 nan 0.000 0.468 647 K N 1.430 121.868 120.400 0.063 0.000 2.473 647 K HA 0.064 4.384 4.320 0.001 0.000 0.277 647 K C 1.013 177.642 176.600 0.047 0.000 1.052 647 K CA 1.306 57.621 56.287 0.047 0.000 1.114 647 K CB -0.426 32.091 32.500 0.027 0.000 0.869 647 K HN 0.872 nan 8.250 nan 0.000 0.481 648 G N 1.874 110.697 108.800 0.039 0.000 2.352 648 G HA2 -0.136 3.825 3.960 0.001 0.000 0.204 648 G HA3 -0.136 3.825 3.960 0.001 0.000 0.204 648 G C -0.228 174.672 174.900 0.001 0.000 1.004 648 G CA -0.143 44.973 45.100 0.028 0.000 0.648 648 G HN 0.913 nan 8.290 nan 0.000 0.491 649 A N 0.078 122.900 122.820 0.002 0.000 2.423 649 A HA 0.950 5.270 4.320 0.001 0.000 0.304 649 A C -0.158 177.351 177.584 -0.125 0.000 1.104 649 A CA -0.267 51.703 52.037 -0.112 0.000 0.757 649 A CB 1.216 20.127 19.000 -0.148 0.000 1.313 649 A HN 1.588 nan 8.150 nan 0.000 0.423 650 I N -2.703 117.682 120.570 -0.309 0.000 3.067 650 I HA 0.882 5.052 4.170 0.001 0.000 0.312 650 I C -1.598 174.173 176.117 -0.576 0.000 1.073 650 I CA -1.118 60.062 61.300 -0.199 0.000 1.016 650 I CB 2.050 40.006 38.000 -0.073 0.000 1.227 650 I HN 0.572 nan 8.210 nan 0.000 0.456 651 Y N 1.989 122.308 120.300 0.031 0.000 2.457 651 Y HA 0.746 5.296 4.550 0.000 0.000 0.343 651 Y C -0.368 175.567 175.900 0.058 0.000 0.994 651 Y CA -0.598 57.526 58.100 0.041 0.000 1.031 651 Y CB 2.358 40.842 38.460 0.040 0.000 1.246 651 Y HN 0.475 nan 8.280 nan 0.000 0.449 652 M N 1.758 121.464 119.600 0.176 0.000 2.575 652 M HA 0.576 5.056 4.480 0.001 0.000 0.284 652 M C -0.683 175.736 176.300 0.198 0.000 1.253 652 M CA -0.743 54.656 55.300 0.165 0.000 0.861 652 M CB 3.080 35.745 32.600 0.108 0.000 1.733 652 M HN 0.735 nan 8.290 nan 0.000 0.462 653 T N -2.075 112.625 114.554 0.242 0.000 2.927 653 T HA 0.541 4.891 4.350 0.001 0.000 0.286 653 T C -0.197 174.657 174.700 0.256 0.000 1.040 653 T CA -0.547 61.705 62.100 0.254 0.000 1.010 653 T CB 0.926 69.924 68.868 0.217 0.000 1.177 653 T HN 0.712 nan 8.240 nan 0.000 0.546 654 Y N -1.167 119.110 120.300 -0.038 0.000 2.555 654 Y HA 0.481 5.032 4.550 0.001 0.000 0.259 654 Y C 1.540 177.356 175.900 -0.139 0.000 1.179 654 Y CA -0.866 57.193 58.100 -0.068 0.000 1.230 654 Y CB -0.817 37.561 38.460 -0.137 0.000 1.146 654 Y HN 0.536 nan 8.280 nan 0.000 0.526 655 Q N -0.106 119.276 119.800 -0.696 0.000 2.444 655 Q HA 0.102 4.443 4.340 0.001 0.000 0.206 655 Q C -0.906 174.473 176.000 -1.034 0.000 0.948 655 Q CA 0.481 55.708 55.803 -0.961 0.000 0.946 655 Q CB 0.121 28.191 28.738 -1.113 0.000 1.027 655 Q HN 0.558 nan 8.270 nan 0.000 0.513 656 W N -0.980 120.266 121.300 -0.090 0.000 2.433 656 W HA 0.224 4.884 4.660 0.000 0.000 0.315 656 W C -0.124 176.491 176.519 0.160 0.000 1.087 656 W CA -1.179 56.123 57.345 -0.072 0.000 1.205 656 W CB 0.529 29.896 29.460 -0.155 0.000 1.288 656 W HN 0.092 nan 8.180 nan 0.000 0.504 657 W N 1.417 122.741 121.300 0.040 0.000 2.476 657 W HA -0.054 4.607 4.660 0.001 0.000 0.281 657 W C 1.572 178.098 176.519 0.011 0.000 1.230 657 W CA 0.031 57.383 57.345 0.011 0.000 1.287 657 W CB -0.818 28.660 29.460 0.029 0.000 1.108 657 W HN 0.257 nan 8.180 nan 0.000 0.567 658 I N -0.430 120.253 120.570 0.189 0.000 2.206 658 I HA 0.042 4.212 4.170 0.001 0.000 0.239 658 I C 1.804 177.933 176.117 0.022 0.000 1.078 658 I CA 1.342 62.663 61.300 0.036 0.000 1.367 658 I CB -1.802 36.116 38.000 -0.136 0.000 1.078 658 I HN -0.104 nan 8.210 nan 0.000 0.413 659 G N 1.574 110.378 108.800 0.007 0.000 3.714 659 G HA2 0.439 4.399 3.960 0.001 0.000 0.276 659 G HA3 0.439 4.399 3.960 0.001 0.000 0.276 659 G C 0.245 175.202 174.900 0.094 0.000 1.058 659 G CA -0.132 44.965 45.100 -0.005 0.000 1.700 659 G HN 0.359 nan 8.290 nan 0.000 0.605 660 A N 1.033 123.919 122.820 0.109 0.000 2.541 660 A HA 0.281 4.601 4.320 0.001 0.000 0.293 660 A C 1.933 179.581 177.584 0.107 0.000 1.307 660 A CA 0.159 52.270 52.037 0.124 0.000 0.978 660 A CB -0.841 18.215 19.000 0.093 0.000 1.111 660 A HN 1.263 nan 8.150 nan 0.000 0.535 661 C N 2.187 121.564 119.300 0.129 0.000 2.403 661 C HA -0.149 4.311 4.460 0.001 0.000 0.277 661 C C 1.886 176.940 174.990 0.107 0.000 1.248 661 C CA 1.216 60.301 59.018 0.113 0.000 1.762 661 C CB -1.183 26.637 27.740 0.132 0.000 2.014 661 C HN 0.778 nan 8.230 nan 0.000 0.486 662 N N 1.126 119.901 118.700 0.124 0.000 2.585 662 N HA -0.079 4.661 4.740 0.001 0.000 0.188 662 N C 1.683 177.243 175.510 0.083 0.000 1.102 662 N CA 0.817 53.943 53.050 0.127 0.000 0.920 662 N CB -0.501 38.072 38.487 0.142 0.000 0.963 662 N HN 0.655 nan 8.380 nan 0.000 0.447 663 E N 0.516 120.756 120.200 0.066 0.000 2.152 663 E HA -0.002 4.348 4.350 0.001 0.000 0.192 663 E C 1.753 178.374 176.600 0.035 0.000 0.983 663 E CA 0.478 56.904 56.400 0.043 0.000 0.818 663 E CB 0.174 29.903 29.700 0.048 0.000 0.758 663 E HN 0.412 nan 8.360 nan 0.000 0.467 664 L N 0.118 121.367 121.223 0.043 0.000 2.513 664 L HA 0.121 4.462 4.340 0.001 0.000 0.222 664 L C 0.677 177.563 176.870 0.027 0.000 1.096 664 L CA 0.035 54.892 54.840 0.028 0.000 0.857 664 L CB 0.287 42.365 42.059 0.031 0.000 1.026 664 L HN -0.199 nan 8.230 nan 0.000 0.469 665 V N 0.817 120.760 119.914 0.048 0.000 2.555 665 V HA 0.086 4.206 4.120 0.001 0.000 0.286 665 V C 0.555 176.652 176.094 0.005 0.000 1.044 665 V CA 0.029 62.355 62.300 0.043 0.000 1.026 665 V CB 1.028 32.913 31.823 0.105 0.000 0.981 665 V HN 0.138 nan 8.190 nan 0.000 0.480 666 T N 5.077 119.621 114.554 -0.017 0.000 2.817 666 T HA 0.231 4.581 4.350 0.001 0.000 0.293 666 T C 0.226 174.878 174.700 -0.080 0.000 0.964 666 T CA -0.444 61.633 62.100 -0.039 0.000 1.085 666 T CB 0.353 69.200 68.868 -0.035 0.000 0.921 666 T HN 0.904 nan 8.240 nan 0.000 0.502 667 E N 3.174 123.317 120.200 -0.094 0.000 2.104 667 E HA 0.118 4.469 4.350 0.001 0.000 0.278 667 E C -0.451 176.079 176.600 -0.118 0.000 1.127 667 E CA -0.558 55.755 56.400 -0.144 0.000 0.897 667 E CB 0.136 29.762 29.700 -0.122 0.000 1.043 667 E HN 0.287 nan 8.360 nan 0.000 0.410 668 N N 4.997 123.620 118.700 -0.128 0.000 3.228 668 N HA 0.169 4.909 4.740 0.001 0.000 0.289 668 N C -0.457 175.016 175.510 -0.062 0.000 1.419 668 N CA -0.307 52.682 53.050 -0.102 0.000 1.088 668 N CB 0.485 38.908 38.487 -0.106 0.000 1.357 668 N HN 0.527 nan 8.380 nan 0.000 0.504 669 L N 1.274 122.456 121.223 -0.068 0.000 2.628 669 L HA -0.037 4.303 4.340 0.001 0.000 0.274 669 L C 0.915 177.801 176.870 0.027 0.000 1.209 669 L CA 0.113 54.930 54.840 -0.038 0.000 0.930 669 L CB -0.359 41.673 42.059 -0.045 0.000 1.183 669 L HN 0.288 nan 8.230 nan 0.000 0.492 670 S N 4.459 120.198 115.700 0.064 0.000 2.552 670 S HA 0.072 4.543 4.470 0.001 0.000 0.289 670 S C -1.213 173.433 174.600 0.077 0.000 1.304 670 S CA -1.153 57.118 58.200 0.119 0.000 1.063 670 S CB 0.589 63.839 63.200 0.082 0.000 0.848 670 S HN 0.543 nan 8.310 nan 0.000 0.499 671 P HA -0.126 nan 4.420 nan 0.000 0.219 671 P C 1.136 178.452 177.300 0.026 0.000 1.146 671 P CA 1.068 64.199 63.100 0.051 0.000 0.808 671 P CB -0.016 31.725 31.700 0.067 0.000 0.779 672 I N -0.047 120.536 120.570 0.023 0.000 2.364 672 I HA -0.075 4.095 4.170 0.001 0.000 0.241 672 I C 2.163 178.295 176.117 0.025 0.000 1.082 672 I CA 2.019 63.327 61.300 0.013 0.000 1.401 672 I CB -1.131 36.866 38.000 -0.005 0.000 1.126 672 I HN 0.010 nan 8.210 nan 0.000 0.429 673 T N -2.936 111.639 114.554 0.035 0.000 3.069 673 T HA 0.198 4.548 4.350 0.001 0.000 0.252 673 T C 0.508 175.237 174.700 0.049 0.000 1.053 673 T CA -0.302 61.828 62.100 0.050 0.000 0.964 673 T CB 0.125 69.032 68.868 0.065 0.000 1.005 673 T HN 0.007 nan 8.240 nan 0.000 0.532 674 K N 1.621 122.043 120.400 0.036 0.000 3.585 674 K HA -0.104 4.216 4.320 0.001 0.000 0.275 674 K C -0.778 175.835 176.600 0.021 0.000 1.026 674 K CA 0.602 56.903 56.287 0.023 0.000 0.800 674 K CB -2.356 30.160 32.500 0.026 0.000 1.401 674 K HN 0.590 nan 8.250 nan 0.000 0.453 675 T N 2.179 116.744 114.554 0.018 0.000 2.812 675 T HA 0.454 4.805 4.350 0.001 0.000 0.282 675 T C -2.550 172.110 174.700 -0.065 0.000 0.990 675 T CA -1.539 60.563 62.100 0.004 0.000 0.960 675 T CB 2.081 70.977 68.868 0.046 0.000 0.948 675 T HN -0.021 nan 8.240 nan 0.000 0.438 676 P HA 0.093 nan 4.420 nan 0.000 0.268 676 P C -0.192 176.891 177.300 -0.361 0.000 1.205 676 P CA -0.128 62.710 63.100 -0.437 0.000 0.771 676 P CB 0.882 31.997 31.700 -0.976 0.000 0.858 677 E N 1.907 121.969 120.200 -0.229 0.000 2.392 677 E HA 0.017 4.367 4.350 0.001 0.000 0.307 677 E C 0.189 176.733 176.600 -0.093 0.000 1.505 677 E CA -0.336 56.008 56.400 -0.092 0.000 1.716 677 E CB -0.634 29.092 29.700 0.044 0.000 1.450 677 E HN 0.319 nan 8.360 nan 0.000 0.484 678 Y N 0.286 120.521 120.300 -0.109 0.000 2.446 678 Y HA -0.190 4.361 4.550 0.001 0.000 0.287 678 Y C 1.764 177.571 175.900 -0.156 0.000 1.159 678 Y CA 0.862 58.891 58.100 -0.119 0.000 1.297 678 Y CB 0.116 38.491 38.460 -0.143 0.000 0.974 678 Y HN 0.140 nan 8.280 nan 0.000 0.557 679 K N -1.067 119.241 120.400 -0.154 0.000 2.444 679 K HA 0.036 4.357 4.320 0.001 0.000 0.193 679 K C -0.884 175.636 176.600 -0.133 0.000 1.024 679 K CA 0.257 56.365 56.287 -0.298 0.000 1.077 679 K CB 0.099 32.121 32.500 -0.796 0.000 0.833 679 K HN 0.240 nan 8.250 nan 0.000 0.517 680 Y N -0.202 120.021 120.300 -0.127 0.000 2.307 680 Y HA 0.183 4.733 4.550 0.001 0.000 0.323 680 Y C -1.545 174.375 175.900 0.033 0.000 1.100 680 Y CA -1.272 56.860 58.100 0.052 0.000 1.140 680 Y CB 1.270 39.888 38.460 0.263 0.000 1.159 680 Y HN -0.028 nan 8.280 nan 0.000 0.436 681 C N 5.935 125.219 119.300 -0.027 0.000 2.522 681 C HA 0.845 5.305 4.460 0.001 0.000 0.344 681 C C -0.168 174.796 174.990 -0.044 0.000 1.104 681 C CA -0.392 58.639 59.018 0.021 0.000 1.317 681 C CB -0.752 26.994 27.740 0.011 0.000 1.896 681 C HN 1.047 nan 8.230 nan 0.000 0.443 682 A N 5.587 128.423 122.820 0.027 0.000 2.505 682 A HA 0.510 4.831 4.320 0.001 0.000 0.271 682 A C 0.296 177.867 177.584 -0.022 0.000 1.112 682 A CA 0.722 52.774 52.037 0.024 0.000 0.781 682 A CB -0.289 18.764 19.000 0.088 0.000 1.059 682 A HN 1.972 nan 8.150 nan 0.000 0.508 683 V N 0.763 120.679 119.914 0.004 0.000 3.141 683 V HA 0.871 4.992 4.120 0.001 0.000 0.312 683 V C -0.313 175.854 176.094 0.120 0.000 1.157 683 V CA -1.247 61.063 62.300 0.017 0.000 1.041 683 V CB 1.986 33.823 31.823 0.023 0.000 1.071 683 V HN 0.926 nan 8.190 nan 0.000 0.441 684 R N 1.314 121.908 120.500 0.156 0.000 2.473 684 R HA 0.695 5.035 4.340 0.001 0.000 0.303 684 R C -1.739 174.665 176.300 0.173 0.000 1.002 684 R CA -0.443 55.798 56.100 0.236 0.000 0.884 684 R CB 1.980 32.520 30.300 0.400 0.000 1.173 684 R HN 0.800 nan 8.270 nan 0.000 0.464 685 V N 3.759 123.750 119.914 0.128 0.000 2.583 685 V HA 0.305 4.425 4.120 0.001 0.000 0.287 685 V C -0.051 176.106 176.094 0.105 0.000 1.051 685 V CA -0.240 62.133 62.300 0.122 0.000 1.010 685 V CB 1.303 33.175 31.823 0.081 0.000 0.988 685 V HN 0.784 nan 8.190 nan 0.000 0.478 686 E N 5.931 126.217 120.200 0.145 0.000 2.256 686 E HA 0.420 4.771 4.350 0.001 0.000 0.268 686 E C -2.701 173.987 176.600 0.147 0.000 0.877 686 E CA -1.857 54.607 56.400 0.108 0.000 0.757 686 E CB 2.715 32.447 29.700 0.053 0.000 1.183 686 E HN 0.488 nan 8.360 nan 0.000 0.418 687 P HA 0.185 nan 4.420 nan 0.000 0.274 687 P C -0.441 176.938 177.300 0.132 0.000 1.260 687 P CA -0.073 63.080 63.100 0.088 0.000 0.793 687 P CB 1.155 32.885 31.700 0.050 0.000 1.048 688 I N -0.091 120.541 120.570 0.104 0.000 2.497 688 I HA 0.221 4.392 4.170 0.001 0.000 0.284 688 I C 1.092 177.249 176.117 0.065 0.000 1.060 688 I CA -0.722 60.653 61.300 0.124 0.000 1.071 688 I CB 1.903 39.982 38.000 0.131 0.000 1.216 688 I HN 0.305 nan 8.210 nan 0.000 0.442 689 A N 3.865 126.718 122.820 0.055 0.000 1.840 689 A HA -0.113 4.207 4.320 0.001 0.000 0.214 689 A C 1.256 178.858 177.584 0.029 0.000 1.198 689 A CA 1.235 53.291 52.037 0.033 0.000 0.608 689 A CB -0.206 18.808 19.000 0.024 0.000 0.839 689 A HN 0.725 nan 8.150 nan 0.000 0.443 690 D N 0.321 120.742 120.400 0.035 0.000 2.671 690 D HA 0.099 4.740 4.640 0.001 0.000 0.228 690 D C 1.273 177.593 176.300 0.032 0.000 1.102 690 D CA -0.035 53.983 54.000 0.030 0.000 1.044 690 D CB -0.074 40.744 40.800 0.030 0.000 1.113 690 D HN 0.279 nan 8.370 nan 0.000 0.480 691 Q N 1.151 120.963 119.800 0.021 0.000 2.062 691 Q HA -0.245 4.096 4.340 0.001 0.000 0.209 691 Q C 1.868 177.874 176.000 0.010 0.000 0.996 691 Q CA 1.399 57.207 55.803 0.008 0.000 0.859 691 Q CB -0.163 28.572 28.738 -0.005 0.000 0.920 691 Q HN 0.529 nan 8.270 nan 0.000 0.415 692 R N 0.157 120.664 120.500 0.011 0.000 2.133 692 R HA -0.180 4.160 4.340 0.001 0.000 0.247 692 R C 2.200 178.517 176.300 0.028 0.000 1.151 692 R CA 1.491 57.599 56.100 0.013 0.000 0.971 692 R CB -0.445 29.863 30.300 0.012 0.000 0.866 692 R HN 0.291 nan 8.270 nan 0.000 0.447 693 A N 0.521 123.365 122.820 0.039 0.000 2.016 693 A HA 0.086 4.406 4.320 0.001 0.000 0.217 693 A C 2.228 179.869 177.584 0.094 0.000 1.162 693 A CA 1.188 53.262 52.037 0.061 0.000 0.662 693 A CB -0.265 18.767 19.000 0.054 0.000 0.812 693 A HN 0.379 nan 8.150 nan 0.000 0.450 694 A N -0.304 122.562 122.820 0.075 0.000 1.930 694 A HA -0.032 4.288 4.320 0.001 0.000 0.215 694 A C 1.838 179.465 177.584 0.071 0.000 1.176 694 A CA 1.211 53.301 52.037 0.089 0.000 0.632 694 A CB -0.298 18.714 19.000 0.020 0.000 0.819 694 A HN 0.402 nan 8.150 nan 0.000 0.445 695 E N -0.493 119.720 120.200 0.023 0.000 2.204 695 E HA -0.212 4.139 4.350 0.001 0.000 0.195 695 E C 1.906 178.513 176.600 0.011 0.000 0.990 695 E CA 1.414 57.808 56.400 -0.010 0.000 0.821 695 E CB -0.073 29.613 29.700 -0.022 0.000 0.750 695 E HN 0.741 nan 8.360 nan 0.000 0.477 696 Q N -0.738 119.093 119.800 0.051 0.000 2.402 696 Q HA -0.058 4.283 4.340 0.001 0.000 0.206 696 Q C 1.626 177.677 176.000 0.085 0.000 0.919 696 Q CA 0.309 56.145 55.803 0.055 0.000 0.923 696 Q CB -0.090 28.685 28.738 0.061 0.000 1.048 696 Q HN 0.240 nan 8.270 nan 0.000 0.515 697 Y N -0.649 119.654 120.300 0.005 0.000 2.184 697 Y HA -0.133 4.417 4.550 0.000 0.000 0.290 697 Y C 1.778 177.677 175.900 -0.001 0.000 1.129 697 Y CA 1.486 59.598 58.100 0.021 0.000 1.144 697 Y CB -0.352 38.133 38.460 0.042 0.000 0.995 697 Y HN -0.042 nan 8.280 nan 0.000 0.513 698 V N 0.811 120.677 119.914 -0.080 0.000 2.287 698 V HA -0.365 3.755 4.120 0.001 0.000 0.248 698 V C 2.463 178.491 176.094 -0.111 0.000 1.053 698 V CA 2.230 64.427 62.300 -0.171 0.000 1.027 698 V CB -0.753 30.973 31.823 -0.161 0.000 0.646 698 V HN 0.436 nan 8.190 nan 0.000 0.447 699 I N 0.053 120.596 120.570 -0.044 0.000 2.076 699 I HA -0.262 3.908 4.170 0.001 0.000 0.237 699 I C 2.421 178.541 176.117 0.005 0.000 1.059 699 I CA 1.995 63.306 61.300 0.018 0.000 1.317 699 I CB -0.738 37.269 38.000 0.011 0.000 1.037 699 I HN 0.336 nan 8.210 nan 0.000 0.398 700 D N 0.774 121.153 120.400 -0.035 0.000 2.116 700 D HA -0.199 4.441 4.640 0.001 0.000 0.193 700 D C 2.111 178.365 176.300 -0.075 0.000 0.998 700 D CA 1.249 55.223 54.000 -0.044 0.000 0.836 700 D CB -0.395 40.390 40.800 -0.025 0.000 0.951 700 D HN 0.311 nan 8.370 nan 0.000 0.449 701 E N -0.365 119.719 120.200 -0.193 0.000 2.153 701 E HA -0.169 4.181 4.350 0.001 0.000 0.194 701 E C 2.028 178.633 176.600 0.008 0.000 0.988 701 E CA 0.484 56.767 56.400 -0.196 0.000 0.811 701 E CB -0.287 29.131 29.700 -0.469 0.000 0.746 701 E HN 0.420 nan 8.360 nan 0.000 0.466 702 Y N 2.063 122.291 120.300 -0.121 0.000 2.176 702 Y HA -0.092 4.459 4.550 0.001 0.000 0.291 702 Y C 1.768 177.653 175.900 -0.025 0.000 1.122 702 Y CA 1.310 59.378 58.100 -0.054 0.000 1.128 702 Y CB -0.562 37.855 38.460 -0.071 0.000 1.005 702 Y HN -0.013 nan 8.280 nan 0.000 0.509 703 N N 0.335 119.030 118.700 -0.009 0.000 2.149 703 N HA -0.173 4.567 4.740 0.001 0.000 0.188 703 N C 1.741 177.217 175.510 -0.056 0.000 1.019 703 N CA 1.789 54.775 53.050 -0.106 0.000 0.857 703 N CB -0.200 38.249 38.487 -0.063 0.000 0.997 703 N HN 0.317 nan 8.380 nan 0.000 0.426 704 K N 0.114 120.506 120.400 -0.014 0.000 1.991 704 K HA -0.109 4.211 4.320 0.001 0.000 0.212 704 K C 1.884 178.495 176.600 0.017 0.000 1.049 704 K CA 0.988 57.275 56.287 -0.000 0.000 0.932 704 K CB -0.436 32.065 32.500 0.002 0.000 0.717 704 K HN 0.073 nan 8.250 nan 0.000 0.441 705 L N 1.872 123.129 121.223 0.056 0.000 2.042 705 L HA -0.207 4.134 4.340 0.001 0.000 0.210 705 L C 1.798 178.722 176.870 0.091 0.000 1.076 705 L CA 1.849 56.749 54.840 0.100 0.000 0.749 705 L CB -0.182 42.001 42.059 0.205 0.000 0.893 705 L HN 0.028 nan 8.230 nan 0.000 0.432 706 K N -1.035 119.376 120.400 0.018 0.000 2.057 706 K HA -0.135 4.185 4.320 0.001 0.000 0.207 706 K C 1.995 178.583 176.600 -0.020 0.000 1.049 706 K CA 1.931 58.194 56.287 -0.040 0.000 0.931 706 K CB -0.438 31.904 32.500 -0.263 0.000 0.714 706 K HN 0.649 nan 8.250 nan 0.000 0.440 707 T N -0.718 113.818 114.554 -0.030 0.000 2.812 707 T HA -0.124 4.226 4.350 0.001 0.000 0.264 707 T C 1.958 176.660 174.700 0.003 0.000 1.042 707 T CA 0.709 62.799 62.100 -0.016 0.000 1.140 707 T CB -0.175 68.680 68.868 -0.020 0.000 0.870 707 T HN 0.155 nan 8.240 nan 0.000 0.445 708 R N 1.022 121.529 120.500 0.011 0.000 2.122 708 R HA -0.078 4.262 4.340 0.001 0.000 0.236 708 R C 2.548 178.860 176.300 0.020 0.000 1.129 708 R CA 1.933 58.042 56.100 0.015 0.000 0.925 708 R CB -0.785 29.527 30.300 0.020 0.000 0.850 708 R HN 0.459 nan 8.270 nan 0.000 0.431 709 L N 0.257 121.502 121.223 0.038 0.000 2.079 709 L HA -0.198 4.142 4.340 0.001 0.000 0.210 709 L C 3.008 179.905 176.870 0.045 0.000 1.081 709 L CA 1.605 56.474 54.840 0.049 0.000 0.752 709 L CB -0.422 41.699 42.059 0.103 0.000 0.896 709 L HN 0.348 nan 8.230 nan 0.000 0.433 710 R N 0.222 120.745 120.500 0.038 0.000 2.075 710 R HA -0.173 4.167 4.340 0.001 0.000 0.232 710 R C 2.146 178.454 176.300 0.012 0.000 1.126 710 R CA 1.518 57.635 56.100 0.028 0.000 0.963 710 R CB -0.033 30.276 30.300 0.016 0.000 0.858 710 R HN 0.408 nan 8.270 nan 0.000 0.435 711 E N -0.262 119.942 120.200 0.007 0.000 2.110 711 E HA -0.178 4.173 4.350 0.001 0.000 0.193 711 E C 1.879 178.475 176.600 -0.008 0.000 0.988 711 E CA 1.131 57.530 56.400 -0.001 0.000 0.804 711 E CB -0.072 29.627 29.700 -0.002 0.000 0.745 711 E HN 0.432 nan 8.360 nan 0.000 0.458 712 A N 1.277 124.094 122.820 -0.005 0.000 1.930 712 A HA -0.041 4.279 4.320 0.001 0.000 0.217 712 A C 2.312 179.881 177.584 -0.025 0.000 1.175 712 A CA 1.550 53.578 52.037 -0.014 0.000 0.627 712 A CB -0.397 18.599 19.000 -0.007 0.000 0.815 712 A HN 0.286 nan 8.150 nan 0.000 0.443 713 A N -0.389 122.422 122.820 -0.015 0.000 1.874 713 A HA 0.235 4.555 4.320 0.001 0.000 0.214 713 A C 1.476 179.028 177.584 -0.053 0.000 1.189 713 A CA 0.937 52.954 52.037 -0.034 0.000 0.615 713 A CB -0.340 18.655 19.000 -0.007 0.000 0.830 713 A HN 0.423 nan 8.150 nan 0.000 0.443 714 L N -0.130 121.075 121.223 -0.030 0.000 3.001 714 L HA 0.522 4.862 4.340 0.001 0.000 0.234 714 L C 0.366 177.222 176.870 -0.023 0.000 1.321 714 L CA -0.156 54.667 54.840 -0.028 0.000 1.138 714 L CB -0.562 41.494 42.059 -0.005 0.000 1.503 714 L HN 0.387 nan 8.230 nan 0.000 0.487 715 A N 0.000 122.800 122.820 -0.033 0.000 2.254 715 A HA 0.000 4.320 4.320 0.001 0.000 0.244 715 A CA 0.000 52.020 52.037 -0.029 0.000 0.836 715 A CB 0.000 18.986 19.000 -0.024 0.000 0.831 715 A HN 0.000 nan 8.150 nan 0.000 0.486