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 1ii9_1_A DATA FIRST_RESID 1 DATA SEQUENCE MQFLQNIPPY LFFTGKGGVG KTSISCATAI RLAEQGKRVL LVSTDPASNV DATA SEQUENCE GQVFSQTIGN TIQAIASVPG LSALEIDPQA AAQQYRARIV DPIKGVLPDD DATA SEQUENCE VVSSINEQLS GACTTEIAAF DEFTGLLTDA SLLTRFDHII FDTAPTGHTI DATA SEQUENCE RLLQLPGAWS SFIDXXXXXX SCLGPMAGLE KQREQYAYAV EALSDPKRTR DATA SEQUENCE LVLVARLQKS TLQEVARTHL ELAAIGLKNQ YLVINGVLPK TEAANDTLAA DATA SEQUENCE AIWEREQEAL ANLPADLAGL PTDTLFLQPV NMVGVSALSR LLSTQXXXXX DATA SEQUENCE XXXXXXXXRP DIPSLSALVD DIARNEHGLI MLMGKGGVGK TTMAAAIAVR DATA SEQUENCE LADMGFDVHL TTSDPAAHXX XXXXXXLNNL QVSRIDPHEE TERYRQHVLE DATA SEQUENCE TKGKELDEAG KRLLEEDLRS PCTEEIAVFQ AFSRVIREAG KRFVVMDTAP DATA SEQUENCE TGHTLLLLDA TXXXXXXXXX XXXXXXXXXT PMMLLQDPER TKVLLVTLPE DATA SEQUENCE TTPVLEAANL QADLERAGIH PWGWIINNSL SIADTRSPLL RMRAQQELPQ DATA SEQUENCE IESVKRQHAS RVALVPVLAS EPTGIDKLKQ LAGHHHHHH 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 0.000 176.258 176.300 -0.070 0.000 1.140 1 M CA 0.000 55.264 55.300 -0.060 0.000 0.988 1 M CB 0.000 32.471 32.600 -0.215 0.000 1.302 2 Q N 1.310 121.164 119.800 0.091 0.000 2.079 2 Q HA -0.101 4.238 4.340 -0.000 0.000 0.200 2 Q C 1.455 177.514 176.000 0.099 0.000 0.974 2 Q CA 1.983 57.884 55.803 0.164 0.000 0.840 2 Q CB -0.259 28.661 28.738 0.304 0.000 0.898 2 Q HN 0.741 nan 8.270 nan 0.000 0.430 3 F N -0.288 119.677 119.950 0.024 0.000 2.494 3 F HA -0.077 4.450 4.527 -0.000 0.000 0.298 3 F C 1.186 176.849 175.800 -0.228 0.000 1.106 3 F CA 0.545 58.402 58.000 -0.238 0.000 1.452 3 F CB 0.039 39.006 39.000 -0.054 0.000 1.085 3 F HN -0.040 nan 8.300 nan 0.000 0.569 4 L N 0.147 120.972 121.223 -0.662 0.000 2.554 4 L HA 0.198 4.538 4.340 -0.000 0.000 0.225 4 L C 0.455 177.153 176.870 -0.288 0.000 1.104 4 L CA 0.348 54.859 54.840 -0.549 0.000 0.866 4 L CB -1.181 40.520 42.059 -0.597 0.000 1.047 4 L HN 0.164 nan 8.230 nan 0.000 0.468 5 Q N 0.526 120.203 119.800 -0.205 0.000 2.279 5 Q HA 0.173 4.513 4.340 -0.000 0.000 0.256 5 Q C 0.058 176.005 176.000 -0.089 0.000 0.937 5 Q CA -0.118 55.621 55.803 -0.106 0.000 0.933 5 Q CB 0.294 29.010 28.738 -0.036 0.000 1.189 5 Q HN 0.189 nan 8.270 nan 0.000 0.417 6 N N 0.806 119.476 118.700 -0.050 0.000 2.725 6 N HA -0.202 4.538 4.740 -0.000 0.000 0.251 6 N C -0.788 174.706 175.510 -0.026 0.000 1.031 6 N CA 0.225 53.268 53.050 -0.011 0.000 0.720 6 N CB -1.186 37.310 38.487 0.014 0.000 0.930 6 N HN 0.560 nan 8.380 nan 0.000 0.543 7 I N 0.921 121.444 120.570 -0.078 0.000 2.648 7 I HA 0.135 4.305 4.170 -0.000 0.000 0.284 7 I C -1.240 174.937 176.117 0.101 0.000 1.153 7 I CA -1.302 59.926 61.300 -0.119 0.000 1.426 7 I CB 0.296 38.059 38.000 -0.395 0.000 1.381 7 I HN 0.050 nan 8.210 nan 0.000 0.571 8 P HA 0.209 nan 4.420 nan 0.000 0.282 8 P C -2.216 175.180 177.300 0.161 0.000 1.287 8 P CA -1.401 61.767 63.100 0.113 0.000 0.792 8 P CB 0.026 31.775 31.700 0.082 0.000 1.163 9 P HA -0.124 nan 4.420 nan 0.000 0.218 9 P C -0.175 176.960 177.300 -0.274 0.000 1.148 9 P CA 1.732 64.681 63.100 -0.253 0.000 0.822 9 P CB -0.113 31.261 31.700 -0.543 0.000 0.784 10 Y N 0.051 120.430 120.300 0.131 0.000 2.328 10 Y HA 0.525 5.075 4.550 -0.000 0.000 0.337 10 Y C 0.293 176.239 175.900 0.077 0.000 0.966 10 Y CA -1.272 56.896 58.100 0.114 0.000 1.136 10 Y CB 1.211 39.810 38.460 0.231 0.000 1.170 10 Y HN -0.235 nan 8.280 nan 0.000 0.470 11 L N 5.019 126.288 121.223 0.078 0.000 2.376 11 L HA 0.701 5.041 4.340 -0.000 0.000 0.275 11 L C -1.939 174.849 176.870 -0.137 0.000 0.987 11 L CA -0.705 54.123 54.840 -0.021 0.000 0.828 11 L CB 0.480 42.482 42.059 -0.094 0.000 1.249 11 L HN 0.361 nan 8.230 nan 0.000 0.409 12 F N 4.551 124.443 119.950 -0.097 0.000 2.508 12 F HA 0.610 5.136 4.527 -0.000 0.000 0.325 12 F C -0.548 175.101 175.800 -0.252 0.000 1.090 12 F CA -0.367 57.596 58.000 -0.062 0.000 0.945 12 F CB 1.683 40.584 39.000 -0.165 0.000 1.156 12 F HN 0.217 nan 8.300 nan 0.000 0.463 13 F N 0.640 120.728 119.950 0.229 0.000 2.495 13 F HA 0.608 5.135 4.527 0.000 0.000 0.327 13 F C 0.273 176.140 175.800 0.112 0.000 1.103 13 F CA -0.607 57.465 58.000 0.119 0.000 0.949 13 F CB 2.256 41.297 39.000 0.069 0.000 1.142 13 F HN 0.318 nan 8.300 nan 0.000 0.457 14 T N 1.422 116.111 114.554 0.225 0.000 2.903 14 T HA 0.854 5.204 4.350 -0.000 0.000 0.299 14 T C -0.604 174.164 174.700 0.113 0.000 1.093 14 T CA -0.341 61.849 62.100 0.149 0.000 1.002 14 T CB 1.591 70.510 68.868 0.085 0.000 1.127 14 T HN 1.058 nan 8.240 nan 0.000 0.488 15 G N 2.243 111.095 108.800 0.087 0.000 2.321 15 G HA2 0.380 4.340 3.960 -0.000 0.000 0.298 15 G HA3 0.380 4.340 3.960 -0.000 0.000 0.298 15 G C -1.271 173.658 174.900 0.048 0.000 1.385 15 G CA -0.607 44.528 45.100 0.058 0.000 0.856 15 G HN 0.895 nan 8.290 nan 0.000 0.584 16 K N -0.325 120.093 120.400 0.030 0.000 2.230 16 K HA 0.529 4.849 4.320 -0.000 0.000 0.253 16 K C 0.779 177.393 176.600 0.023 0.000 1.008 16 K CA 0.220 56.520 56.287 0.023 0.000 0.910 16 K CB 0.530 33.037 32.500 0.011 0.000 0.994 16 K HN 1.118 nan 8.250 nan 0.000 0.495 17 G N -0.095 108.716 108.800 0.018 0.000 2.254 17 G HA2 0.314 4.274 3.960 -0.000 0.000 0.253 17 G HA3 0.314 4.274 3.960 -0.000 0.000 0.253 17 G C 0.928 175.836 174.900 0.014 0.000 1.246 17 G CA -0.027 45.083 45.100 0.018 0.000 0.946 17 G HN 1.166 nan 8.290 nan 0.000 0.474 18 G N 0.420 109.229 108.800 0.015 0.000 2.175 18 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.244 18 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.244 18 G C 1.345 176.247 174.900 0.005 0.000 0.982 18 G CA 0.742 45.848 45.100 0.010 0.000 0.641 18 G HN 1.951 nan 8.290 nan 0.000 0.527 19 V N -1.747 118.170 119.914 0.005 0.000 2.913 19 V HA 0.454 4.574 4.120 -0.000 0.000 0.260 19 V C 1.936 178.020 176.094 -0.018 0.000 1.098 19 V CA 1.873 64.171 62.300 -0.003 0.000 1.121 19 V CB -0.428 31.396 31.823 0.002 0.000 0.714 19 V HN 2.336 nan 8.190 nan 0.000 0.487 20 G N -0.046 108.740 108.800 -0.024 0.000 2.151 20 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.156 20 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.156 20 G C 0.459 175.299 174.900 -0.101 0.000 1.017 20 G CA 0.263 45.332 45.100 -0.052 0.000 0.686 20 G HN 0.481 nan 8.290 nan 0.000 0.503 21 K N -0.327 120.030 120.400 -0.072 0.000 2.002 21 K HA -0.059 4.261 4.320 -0.000 0.000 0.209 21 K C 2.602 179.075 176.600 -0.210 0.000 1.048 21 K CA 1.940 58.158 56.287 -0.115 0.000 0.930 21 K CB -0.275 32.248 32.500 0.039 0.000 0.714 21 K HN 0.332 nan 8.250 nan 0.000 0.438 22 T N 0.892 115.392 114.554 -0.092 0.000 2.746 22 T HA -0.112 4.238 4.350 -0.000 0.000 0.267 22 T C 2.142 176.774 174.700 -0.112 0.000 1.039 22 T CA 1.507 63.564 62.100 -0.073 0.000 1.142 22 T CB -0.228 68.636 68.868 -0.007 0.000 0.866 22 T HN 0.124 nan 8.240 nan 0.000 0.444 23 S N 1.359 116.994 115.700 -0.108 0.000 2.353 23 S HA -0.052 4.418 4.470 -0.000 0.000 0.222 23 S C 2.072 176.586 174.600 -0.143 0.000 1.035 23 S CA 1.127 59.265 58.200 -0.102 0.000 1.025 23 S CB -0.518 62.635 63.200 -0.079 0.000 0.902 23 S HN 0.423 nan 8.310 nan 0.000 0.440 24 I N 1.425 121.851 120.570 -0.239 0.000 2.264 24 I HA -0.190 3.980 4.170 -0.000 0.000 0.248 24 I C 2.425 178.288 176.117 -0.423 0.000 1.111 24 I CA 0.892 62.002 61.300 -0.316 0.000 1.382 24 I CB -0.482 37.221 38.000 -0.495 0.000 1.060 24 I HN 0.221 nan 8.210 nan 0.000 0.418 25 S N 0.226 115.571 115.700 -0.591 0.000 2.348 25 S HA -0.207 4.263 4.470 -0.000 0.000 0.221 25 S C 2.209 176.777 174.600 -0.054 0.000 1.033 25 S CA 1.608 59.584 58.200 -0.373 0.000 1.010 25 S CB -0.543 62.536 63.200 -0.200 0.000 0.891 25 S HN 0.491 nan 8.310 nan 0.000 0.442 26 C N 1.914 121.214 119.300 -0.001 0.000 2.413 26 C HA -0.086 4.374 4.460 -0.000 0.000 0.276 26 C C 3.109 178.179 174.990 0.134 0.000 1.236 26 C CA 0.557 59.668 59.018 0.156 0.000 1.735 26 C CB -1.662 26.149 27.740 0.118 0.000 2.031 26 C HN 0.682 nan 8.230 nan 0.000 0.474 27 A N 0.233 123.079 122.820 0.043 0.000 1.883 27 A HA -0.227 4.093 4.320 -0.000 0.000 0.217 27 A C 2.194 179.828 177.584 0.082 0.000 1.186 27 A CA 2.734 54.804 52.037 0.054 0.000 0.624 27 A CB -1.219 17.806 19.000 0.042 0.000 0.822 27 A HN 0.587 nan 8.150 nan 0.000 0.444 28 T N 0.169 114.785 114.554 0.104 0.000 2.821 28 T HA 0.040 4.390 4.350 -0.000 0.000 0.267 28 T C 2.213 176.958 174.700 0.076 0.000 1.046 28 T CA 1.409 63.578 62.100 0.116 0.000 1.139 28 T CB -0.474 68.555 68.868 0.269 0.000 0.871 28 T HN 0.623 nan 8.240 nan 0.000 0.454 29 A N 1.405 124.280 122.820 0.092 0.000 1.892 29 A HA -0.110 4.210 4.320 -0.000 0.000 0.218 29 A C 2.249 179.875 177.584 0.070 0.000 1.188 29 A CA 1.527 53.605 52.037 0.068 0.000 0.631 29 A CB -0.824 18.215 19.000 0.066 0.000 0.822 29 A HN 0.547 nan 8.150 nan 0.000 0.447 30 I N -1.319 119.317 120.570 0.111 0.000 2.163 30 I HA -0.228 3.942 4.170 -0.000 0.000 0.240 30 I C 2.597 178.749 176.117 0.058 0.000 1.081 30 I CA 1.623 62.985 61.300 0.104 0.000 1.353 30 I CB -0.392 37.690 38.000 0.137 0.000 1.054 30 I HN 0.306 nan 8.210 nan 0.000 0.407 31 R N 1.818 122.342 120.500 0.041 0.000 2.134 31 R HA -0.206 4.134 4.340 -0.000 0.000 0.248 31 R C 2.067 178.368 176.300 0.003 0.000 1.143 31 R CA 2.001 58.106 56.100 0.008 0.000 0.957 31 R CB -1.077 29.207 30.300 -0.026 0.000 0.867 31 R HN 0.334 nan 8.270 nan 0.000 0.441 32 L N -0.447 120.778 121.223 0.005 0.000 2.046 32 L HA -0.080 4.260 4.340 -0.000 0.000 0.208 32 L C 2.558 179.458 176.870 0.049 0.000 1.077 32 L CA 1.333 56.186 54.840 0.021 0.000 0.747 32 L CB -0.699 41.376 42.059 0.025 0.000 0.896 32 L HN 0.396 nan 8.230 nan 0.000 0.432 33 A N 0.120 122.968 122.820 0.048 0.000 1.908 33 A HA -0.227 4.093 4.320 -0.000 0.000 0.218 33 A C 2.046 179.650 177.584 0.034 0.000 1.181 33 A CA 1.700 53.764 52.037 0.044 0.000 0.627 33 A CB -0.460 18.564 19.000 0.039 0.000 0.818 33 A HN 0.477 nan 8.150 nan 0.000 0.445 34 E N -0.378 119.841 120.200 0.031 0.000 2.516 34 E HA -0.093 4.257 4.350 -0.000 0.000 0.199 34 E C 1.407 178.017 176.600 0.017 0.000 1.069 34 E CA 0.490 56.904 56.400 0.024 0.000 0.876 34 E CB -0.036 29.679 29.700 0.024 0.000 0.843 34 E HN 0.734 nan 8.360 nan 0.000 0.530 35 Q N -0.577 119.235 119.800 0.019 0.000 2.319 35 Q HA 0.129 4.469 4.340 -0.000 0.000 0.202 35 Q C 0.734 176.744 176.000 0.018 0.000 0.896 35 Q CA 0.305 56.118 55.803 0.015 0.000 0.942 35 Q CB 1.077 29.824 28.738 0.015 0.000 1.083 35 Q HN 0.330 nan 8.270 nan 0.000 0.510 36 G N 1.500 110.312 108.800 0.020 0.000 2.132 36 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.228 36 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.228 36 G C -0.164 174.746 174.900 0.018 0.000 1.000 36 G CA -0.226 44.882 45.100 0.014 0.000 0.693 36 G HN -0.010 nan 8.290 nan 0.000 0.515 37 K N 0.146 120.571 120.400 0.040 0.000 2.110 37 K HA 0.459 4.779 4.320 -0.000 0.000 0.263 37 K C 0.705 177.342 176.600 0.062 0.000 0.975 37 K CA -0.725 55.594 56.287 0.055 0.000 0.895 37 K CB 1.105 33.687 32.500 0.137 0.000 1.060 37 K HN 0.353 nan 8.250 nan 0.000 0.448 38 R N 1.070 121.598 120.500 0.047 0.000 2.234 38 R HA 0.318 4.658 4.340 -0.000 0.000 0.324 38 R C -0.392 176.048 176.300 0.233 0.000 1.054 38 R CA -0.485 55.673 56.100 0.097 0.000 0.912 38 R CB 0.657 30.950 30.300 -0.011 0.000 1.030 38 R HN 0.163 nan 8.270 nan 0.000 0.455 39 V N 5.005 125.067 119.914 0.247 0.000 2.531 39 V HA 0.313 4.433 4.120 -0.000 0.000 0.301 39 V C -0.297 175.763 176.094 -0.056 0.000 1.034 39 V CA -0.832 61.551 62.300 0.139 0.000 0.865 39 V CB 2.067 33.933 31.823 0.072 0.000 0.995 39 V HN 0.635 nan 8.190 nan 0.000 0.424 40 L N 5.263 126.242 121.223 -0.407 0.000 2.272 40 L HA 0.566 4.906 4.340 -0.000 0.000 0.289 40 L C -0.965 175.649 176.870 -0.427 0.000 1.032 40 L CA -0.719 53.696 54.840 -0.708 0.000 0.810 40 L CB 1.491 42.773 42.059 -1.296 0.000 1.205 40 L HN 0.569 nan 8.230 nan 0.000 0.422 41 L N 6.273 127.300 121.223 -0.327 0.000 2.282 41 L HA 0.425 4.765 4.340 -0.000 0.000 0.288 41 L C -0.747 175.969 176.870 -0.256 0.000 1.033 41 L CA -0.107 54.586 54.840 -0.244 0.000 0.807 41 L CB 1.643 43.598 42.059 -0.173 0.000 1.209 41 L HN 0.269 nan 8.230 nan 0.000 0.423 42 V N 4.622 124.364 119.914 -0.287 0.000 2.313 42 V HA 0.365 4.485 4.120 -0.000 0.000 0.278 42 V C 0.332 176.402 176.094 -0.039 0.000 1.017 42 V CA -0.453 61.713 62.300 -0.223 0.000 0.823 42 V CB 1.010 32.575 31.823 -0.430 0.000 1.010 42 V HN 0.868 nan 8.190 nan 0.000 0.443 43 S N 3.513 119.208 115.700 -0.008 0.000 2.523 43 S HA 0.314 4.784 4.470 -0.000 0.000 0.275 43 S C 1.014 175.655 174.600 0.068 0.000 1.281 43 S CA 0.246 58.474 58.200 0.047 0.000 1.050 43 S CB 0.771 63.994 63.200 0.037 0.000 0.937 43 S HN 0.987 nan 8.310 nan 0.000 0.492 44 T N 0.558 115.178 114.554 0.110 0.000 3.170 44 T HA 0.289 4.639 4.350 -0.000 0.000 0.288 44 T C -0.403 174.341 174.700 0.073 0.000 0.992 44 T CA -0.567 61.589 62.100 0.093 0.000 0.909 44 T CB -0.061 68.912 68.868 0.174 0.000 1.133 44 T HN 0.433 nan 8.240 nan 0.000 0.530 45 D N 3.818 124.260 120.400 0.070 0.000 2.345 45 D HA 0.239 4.879 4.640 -0.000 0.000 0.247 45 D C -1.017 175.305 176.300 0.037 0.000 1.108 45 D CA -1.971 52.063 54.000 0.057 0.000 0.894 45 D CB 1.882 42.715 40.800 0.056 0.000 1.203 45 D HN 0.069 nan 8.370 nan 0.000 0.430 46 P HA -0.217 nan 4.420 nan 0.000 0.216 46 P C -0.021 177.293 177.300 0.024 0.000 1.167 46 P CA 1.497 64.610 63.100 0.022 0.000 0.933 46 P CB 0.264 31.976 31.700 0.020 0.000 0.793 47 A N -0.393 122.444 122.820 0.029 0.000 3.150 47 A HA 0.372 4.692 4.320 -0.000 0.000 0.328 47 A C 0.468 178.072 177.584 0.032 0.000 1.104 47 A CA -0.358 51.697 52.037 0.030 0.000 0.937 47 A CB -0.543 18.477 19.000 0.033 0.000 1.073 47 A HN 0.157 nan 8.150 nan 0.000 0.497 48 S N 1.267 116.986 115.700 0.033 0.000 2.631 48 S HA -0.080 4.390 4.470 -0.000 0.000 0.311 48 S C 1.152 175.775 174.600 0.039 0.000 1.254 48 S CA 1.091 59.314 58.200 0.038 0.000 1.039 48 S CB 0.091 63.313 63.200 0.037 0.000 0.753 48 S HN 0.868 nan 8.310 nan 0.000 0.494 49 N N 3.323 122.049 118.700 0.043 0.000 2.143 49 N HA 0.030 4.770 4.740 -0.000 0.000 0.229 49 N C 0.887 176.431 175.510 0.056 0.000 1.294 49 N CA -0.006 53.068 53.050 0.040 0.000 0.883 49 N CB -0.250 38.253 38.487 0.026 0.000 1.148 49 N HN 0.370 nan 8.380 nan 0.000 0.511 50 V N 0.920 120.884 119.914 0.083 0.000 2.427 50 V HA -0.062 4.058 4.120 -0.000 0.000 0.248 50 V C 2.610 178.838 176.094 0.224 0.000 1.051 50 V CA 2.355 64.749 62.300 0.157 0.000 1.048 50 V CB -0.952 30.959 31.823 0.148 0.000 0.666 50 V HN 0.498 nan 8.190 nan 0.000 0.456 51 G N -1.305 107.577 108.800 0.138 0.000 2.418 51 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.217 51 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.217 51 G C 1.513 176.492 174.900 0.132 0.000 1.158 51 G CA 0.988 46.169 45.100 0.134 0.000 0.771 51 G HN 0.509 nan 8.290 nan 0.000 0.545 52 Q N 0.278 120.126 119.800 0.080 0.000 2.002 52 Q HA -0.151 4.189 4.340 -0.000 0.000 0.204 52 Q C 2.841 178.852 176.000 0.018 0.000 0.988 52 Q CA 2.590 58.419 55.803 0.045 0.000 0.843 52 Q CB -0.371 28.381 28.738 0.024 0.000 0.908 52 Q HN 0.476 nan 8.270 nan 0.000 0.420 53 V N -1.515 118.388 119.914 -0.018 0.000 2.546 53 V HA -0.196 3.924 4.120 -0.000 0.000 0.254 53 V C 1.424 177.345 176.094 -0.289 0.000 1.076 53 V CA 1.689 63.890 62.300 -0.165 0.000 1.087 53 V CB -0.757 30.919 31.823 -0.245 0.000 0.674 53 V HN 0.322 nan 8.190 nan 0.000 0.470 54 F N 0.907 120.856 119.950 -0.002 0.000 2.664 54 F HA 0.477 5.004 4.527 -0.000 0.000 0.303 54 F C 1.523 177.324 175.800 0.002 0.000 1.092 54 F CA 0.280 58.280 58.000 -0.000 0.000 1.305 54 F CB -0.185 38.814 39.000 -0.002 0.000 1.054 54 F HN 0.211 nan 8.300 nan 0.000 0.565 55 S N 1.046 116.815 115.700 0.115 0.000 3.641 55 S HA -0.246 4.224 4.470 -0.000 0.000 0.346 55 S C 0.025 174.674 174.600 0.080 0.000 1.074 55 S CA 1.030 59.275 58.200 0.075 0.000 1.026 55 S CB -1.907 61.324 63.200 0.053 0.000 0.908 55 S HN 0.789 nan 8.310 nan 0.000 0.479 56 Q N -1.470 118.386 119.800 0.093 0.000 2.707 56 Q HA 0.706 5.046 4.340 -0.000 0.000 0.307 56 Q C -0.634 175.400 176.000 0.056 0.000 0.934 56 Q CA -0.895 54.947 55.803 0.065 0.000 0.753 56 Q CB 0.963 29.737 28.738 0.061 0.000 1.478 56 Q HN 0.294 nan 8.270 nan 0.000 0.458 57 T N -0.569 114.007 114.554 0.037 0.000 2.902 57 T HA 0.760 5.110 4.350 -0.000 0.000 0.283 57 T C 0.301 175.014 174.700 0.022 0.000 1.009 57 T CA -0.684 61.434 62.100 0.030 0.000 1.051 57 T CB 0.686 69.568 68.868 0.022 0.000 0.999 57 T HN 0.683 nan 8.240 nan 0.000 0.474 58 I N -1.631 118.951 120.570 0.019 0.000 3.145 58 I HA 0.987 5.157 4.170 -0.000 0.000 0.313 58 I C -0.055 176.066 176.117 0.007 0.000 1.122 58 I CA -1.327 59.976 61.300 0.006 0.000 0.987 58 I CB 2.025 40.026 38.000 0.002 0.000 1.236 58 I HN 0.962 nan 8.210 nan 0.000 0.453 59 G N 1.319 110.119 108.800 0.000 0.000 2.682 59 G HA2 0.163 4.123 3.960 -0.000 0.000 0.303 59 G HA3 0.163 4.123 3.960 -0.000 0.000 0.303 59 G C -0.544 174.356 174.900 -0.000 0.000 1.341 59 G CA -0.480 44.623 45.100 0.004 0.000 0.784 59 G HN 0.861 nan 8.290 nan 0.000 0.497 60 N N 0.040 118.743 118.700 0.005 0.000 2.586 60 N HA 0.042 4.782 4.740 -0.000 0.000 0.206 60 N C -0.300 175.214 175.510 0.007 0.000 1.377 60 N CA 0.550 53.603 53.050 0.005 0.000 0.871 60 N CB 0.102 38.595 38.487 0.011 0.000 1.107 60 N HN 0.243 nan 8.380 nan 0.000 0.462 61 T N 0.820 115.376 114.554 0.003 0.000 2.912 61 T HA 0.391 4.741 4.350 -0.000 0.000 0.299 61 T C 0.218 174.920 174.700 0.002 0.000 1.052 61 T CA -0.645 61.460 62.100 0.008 0.000 0.996 61 T CB 1.933 70.809 68.868 0.012 0.000 1.070 61 T HN 0.033 nan 8.240 nan 0.000 0.465 62 I N 3.280 123.858 120.570 0.013 0.000 2.581 62 I HA 0.123 4.293 4.170 -0.000 0.000 0.285 62 I C 0.534 176.665 176.117 0.024 0.000 1.129 62 I CA 0.403 61.712 61.300 0.016 0.000 1.397 62 I CB 0.290 38.333 38.000 0.071 0.000 1.399 62 I HN 0.429 nan 8.210 nan 0.000 0.537 63 Q N 4.640 124.440 119.800 0.000 0.000 2.413 63 Q HA 0.689 5.029 4.340 -0.000 0.000 0.276 63 Q C -0.613 175.379 176.000 -0.013 0.000 1.099 63 Q CA -0.965 54.837 55.803 -0.001 0.000 0.814 63 Q CB 2.500 31.231 28.738 -0.011 0.000 1.379 63 Q HN 0.767 nan 8.270 nan 0.000 0.436 64 A N 1.933 124.749 122.820 -0.007 0.000 2.371 64 A HA 0.411 4.731 4.320 -0.000 0.000 0.257 64 A C -0.285 177.265 177.584 -0.056 0.000 1.089 64 A CA -0.278 51.747 52.037 -0.020 0.000 0.794 64 A CB 0.162 19.158 19.000 -0.006 0.000 1.029 64 A HN 0.732 nan 8.150 nan 0.000 0.488 65 I N 3.042 123.551 120.570 -0.102 0.000 2.316 65 I HA 0.135 4.305 4.170 -0.000 0.000 0.286 65 I C 1.554 177.635 176.117 -0.060 0.000 1.107 65 I CA -0.178 61.037 61.300 -0.142 0.000 1.219 65 I CB 0.771 38.541 38.000 -0.383 0.000 1.455 65 I HN 0.860 nan 8.210 nan 0.000 0.498 66 A N 3.803 126.613 122.820 -0.016 0.000 2.054 66 A HA -0.257 4.063 4.320 -0.000 0.000 0.223 66 A C 2.304 179.906 177.584 0.029 0.000 1.169 66 A CA 2.423 54.465 52.037 0.008 0.000 0.655 66 A CB -0.449 18.560 19.000 0.015 0.000 0.812 66 A HN 0.733 nan 8.150 nan 0.000 0.462 67 S N -1.596 114.139 115.700 0.059 0.000 2.607 67 S HA 0.269 4.739 4.470 -0.000 0.000 0.224 67 S C 0.358 175.018 174.600 0.100 0.000 0.969 67 S CA 0.598 58.855 58.200 0.096 0.000 0.927 67 S CB -0.262 63.035 63.200 0.162 0.000 0.772 67 S HN 1.484 nan 8.310 nan 0.000 0.533 68 V N 1.007 120.957 119.914 0.060 0.000 2.777 68 V HA 0.435 4.555 4.120 -0.000 0.000 0.267 68 V C -3.084 173.017 176.094 0.012 0.000 1.031 68 V CA -1.956 60.376 62.300 0.053 0.000 0.921 68 V CB 1.826 33.711 31.823 0.103 0.000 1.055 68 V HN 0.113 nan 8.190 nan 0.000 0.485 69 P HA 0.366 nan 4.420 nan 0.000 0.267 69 P C 0.984 178.289 177.300 0.009 0.000 1.200 69 P CA 1.711 64.815 63.100 0.006 0.000 0.772 69 P CB 1.348 33.052 31.700 0.007 0.000 0.855 70 G N 0.482 109.286 108.800 0.008 0.000 2.241 70 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.244 70 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.244 70 G C -0.358 174.570 174.900 0.046 0.000 0.998 70 G CA 0.236 45.349 45.100 0.021 0.000 0.621 70 G HN 0.673 nan 8.290 nan 0.000 0.519 71 L N 1.529 122.760 121.223 0.013 0.000 2.334 71 L HA 0.913 5.253 4.340 -0.000 0.000 0.273 71 L C -0.171 176.675 176.870 -0.040 0.000 1.013 71 L CA -0.393 54.436 54.840 -0.019 0.000 0.816 71 L CB 2.277 44.277 42.059 -0.098 0.000 1.278 71 L HN 0.180 nan 8.230 nan 0.000 0.431 72 S N 2.266 117.940 115.700 -0.045 0.000 2.588 72 S HA 0.972 5.442 4.470 -0.000 0.000 0.275 72 S C -1.078 173.416 174.600 -0.176 0.000 1.130 72 S CA -0.306 57.859 58.200 -0.060 0.000 0.855 72 S CB 1.768 65.037 63.200 0.116 0.000 1.116 72 S HN 0.978 nan 8.310 nan 0.000 0.472 73 A N 0.803 123.524 122.820 -0.164 0.000 2.435 73 A HA 0.972 5.292 4.320 -0.000 0.000 0.296 73 A C -1.752 175.753 177.584 -0.131 0.000 1.147 73 A CA -0.686 51.244 52.037 -0.179 0.000 0.775 73 A CB 1.439 20.332 19.000 -0.178 0.000 1.340 73 A HN 0.829 nan 8.150 nan 0.000 0.427 74 L N -0.124 121.024 121.223 -0.126 0.000 2.526 74 L HA 0.572 4.912 4.340 -0.000 0.000 0.263 74 L C -0.784 176.050 176.870 -0.060 0.000 0.943 74 L CA -0.052 54.736 54.840 -0.087 0.000 0.859 74 L CB 2.095 44.089 42.059 -0.108 0.000 1.313 74 L HN 0.853 nan 8.230 nan 0.000 0.406 75 E N 5.129 125.312 120.200 -0.029 0.000 2.151 75 E HA 0.502 4.852 4.350 -0.000 0.000 0.275 75 E C -1.396 175.201 176.600 -0.006 0.000 0.936 75 E CA -0.601 55.793 56.400 -0.010 0.000 0.777 75 E CB 1.293 30.994 29.700 0.002 0.000 1.108 75 E HN 0.703 nan 8.360 nan 0.000 0.401 76 I N 4.362 124.931 120.570 -0.003 0.000 2.428 76 I HA 0.118 4.288 4.170 -0.000 0.000 0.279 76 I C -0.218 175.889 176.117 -0.017 0.000 1.040 76 I CA -0.722 60.568 61.300 -0.016 0.000 1.171 76 I CB 1.108 39.083 38.000 -0.041 0.000 1.312 76 I HN 0.480 nan 8.210 nan 0.000 0.470 77 D N 9.329 129.725 120.400 -0.007 0.000 2.371 77 D HA 0.083 4.723 4.640 -0.000 0.000 0.256 77 D C -1.375 174.916 176.300 -0.015 0.000 1.193 77 D CA -1.736 52.262 54.000 -0.003 0.000 0.881 77 D CB 1.715 42.519 40.800 0.006 0.000 1.143 77 D HN 0.257 nan 8.370 nan 0.000 0.473 78 P HA -0.117 nan 4.420 nan 0.000 0.217 78 P C 1.160 178.446 177.300 -0.022 0.000 1.154 78 P CA 0.985 64.065 63.100 -0.033 0.000 0.841 78 P CB 0.568 32.252 31.700 -0.027 0.000 0.788 79 Q N 0.097 119.892 119.800 -0.009 0.000 2.020 79 Q HA -0.096 4.244 4.340 -0.000 0.000 0.202 79 Q C 2.504 178.508 176.000 0.007 0.000 0.982 79 Q CA 1.858 57.659 55.803 -0.003 0.000 0.838 79 Q CB -0.726 28.014 28.738 0.004 0.000 0.899 79 Q HN 0.180 nan 8.270 nan 0.000 0.423 80 A N 1.132 123.958 122.820 0.011 0.000 1.883 80 A HA -0.172 4.148 4.320 -0.000 0.000 0.217 80 A C 2.304 179.906 177.584 0.030 0.000 1.186 80 A CA 1.742 53.791 52.037 0.020 0.000 0.624 80 A CB -0.906 18.105 19.000 0.018 0.000 0.822 80 A HN 0.418 nan 8.150 nan 0.000 0.444 81 A N -0.252 122.581 122.820 0.022 0.000 1.933 81 A HA 0.151 4.471 4.320 -0.000 0.000 0.218 81 A C 2.499 180.124 177.584 0.068 0.000 1.175 81 A CA 2.146 54.208 52.037 0.041 0.000 0.628 81 A CB -0.978 18.026 19.000 0.008 0.000 0.814 81 A HN 1.057 nan 8.150 nan 0.000 0.444 82 A N -0.617 122.218 122.820 0.025 0.000 1.873 82 A HA -0.202 4.118 4.320 -0.000 0.000 0.215 82 A C 2.107 179.740 177.584 0.083 0.000 1.186 82 A CA 1.632 53.683 52.037 0.024 0.000 0.616 82 A CB -0.647 18.336 19.000 -0.029 0.000 0.823 82 A HN 0.644 nan 8.150 nan 0.000 0.442 83 Q N -0.722 119.111 119.800 0.056 0.000 2.045 83 Q HA -0.297 4.043 4.340 -0.000 0.000 0.206 83 Q C 2.207 178.253 176.000 0.076 0.000 0.991 83 Q CA 2.110 57.947 55.803 0.056 0.000 0.851 83 Q CB -0.254 28.508 28.738 0.039 0.000 0.911 83 Q HN 0.777 nan 8.270 nan 0.000 0.418 84 Q N -1.016 118.835 119.800 0.084 0.000 2.378 84 Q HA -0.120 4.220 4.340 -0.000 0.000 0.205 84 Q C 1.421 177.486 176.000 0.108 0.000 0.954 84 Q CA 0.768 56.619 55.803 0.080 0.000 0.901 84 Q CB 0.018 28.796 28.738 0.067 0.000 0.981 84 Q HN 0.413 nan 8.270 nan 0.000 0.483 85 Y N 0.549 120.859 120.300 0.017 0.000 2.243 85 Y HA -0.124 4.426 4.550 -0.000 0.000 0.293 85 Y C 2.375 178.286 175.900 0.019 0.000 1.124 85 Y CA 1.324 59.437 58.100 0.023 0.000 1.159 85 Y CB 0.221 38.693 38.460 0.019 0.000 1.008 85 Y HN -0.089 nan 8.280 nan 0.000 0.527 86 R N 0.240 120.873 120.500 0.222 0.000 2.066 86 R HA -0.144 4.196 4.340 -0.000 0.000 0.232 86 R C 2.329 178.660 176.300 0.051 0.000 1.131 86 R CA 1.389 57.568 56.100 0.132 0.000 0.955 86 R CB -0.585 29.779 30.300 0.107 0.000 0.851 86 R HN 0.386 nan 8.270 nan 0.000 0.432 87 A N 1.026 123.872 122.820 0.043 0.000 1.933 87 A HA -0.177 4.143 4.320 -0.000 0.000 0.218 87 A C 2.189 179.769 177.584 -0.007 0.000 1.175 87 A CA 1.423 53.472 52.037 0.020 0.000 0.628 87 A CB -0.592 18.423 19.000 0.024 0.000 0.814 87 A HN 0.403 nan 8.150 nan 0.000 0.444 88 R N -0.531 119.948 120.500 -0.034 0.000 2.193 88 R HA -0.034 4.306 4.340 -0.000 0.000 0.229 88 R C 1.580 177.830 176.300 -0.083 0.000 1.110 88 R CA 1.396 57.451 56.100 -0.074 0.000 0.988 88 R CB -0.246 29.971 30.300 -0.137 0.000 0.871 88 R HN 0.618 nan 8.270 nan 0.000 0.458 89 I N -0.975 119.550 120.570 -0.076 0.000 2.512 89 I HA -0.131 4.039 4.170 -0.000 0.000 0.247 89 I C 1.997 178.106 176.117 -0.013 0.000 1.094 89 I CA 0.336 61.606 61.300 -0.050 0.000 1.427 89 I CB 0.027 38.008 38.000 -0.031 0.000 1.149 89 I HN -0.068 nan 8.210 nan 0.000 0.438 90 V N 0.892 120.807 119.914 0.003 0.000 2.379 90 V HA -0.250 3.870 4.120 -0.000 0.000 0.245 90 V C 1.978 178.076 176.094 0.007 0.000 1.044 90 V CA 1.866 64.174 62.300 0.012 0.000 1.036 90 V CB -0.710 31.127 31.823 0.023 0.000 0.664 90 V HN 0.341 nan 8.190 nan 0.000 0.453 91 D N -0.090 120.312 120.400 0.004 0.000 2.149 91 D HA -0.148 4.492 4.640 -0.000 0.000 0.194 91 D C -0.176 176.125 176.300 0.001 0.000 1.001 91 D CA 1.821 55.823 54.000 0.004 0.000 0.849 91 D CB -1.570 39.231 40.800 0.002 0.000 0.939 91 D HN 0.386 nan 8.370 nan 0.000 0.449 92 P HA -0.056 nan 4.420 nan 0.000 0.220 92 P C 1.541 178.839 177.300 -0.003 0.000 1.148 92 P CA 0.914 64.011 63.100 -0.005 0.000 0.803 92 P CB -0.101 31.593 31.700 -0.010 0.000 0.782 93 I N -5.391 115.179 120.570 0.000 0.000 3.968 93 I HA 0.222 4.392 4.170 -0.000 0.000 0.328 93 I C 0.606 176.727 176.117 0.006 0.000 1.290 93 I CA -0.325 60.976 61.300 0.002 0.000 1.163 93 I CB -0.294 37.708 38.000 0.004 0.000 1.024 93 I HN -0.310 nan 8.210 nan 0.000 0.413 94 K N 2.738 123.142 120.400 0.007 0.000 2.453 94 K HA 0.189 4.509 4.320 -0.000 0.000 0.280 94 K C 1.160 177.764 176.600 0.007 0.000 1.045 94 K CA 1.290 57.582 56.287 0.009 0.000 1.059 94 K CB 0.110 32.615 32.500 0.009 0.000 0.901 94 K HN 0.582 nan 8.250 nan 0.000 0.475 95 G N 1.853 110.658 108.800 0.008 0.000 2.175 95 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.244 95 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.244 95 G C 0.442 175.345 174.900 0.005 0.000 0.982 95 G CA 0.188 45.291 45.100 0.006 0.000 0.641 95 G HN 0.484 nan 8.290 nan 0.000 0.527 96 V N -0.118 119.798 119.914 0.004 0.000 3.359 96 V HA 0.466 4.586 4.120 -0.000 0.000 0.245 96 V C 1.277 177.373 176.094 0.004 0.000 1.247 96 V CA 0.759 63.060 62.300 0.003 0.000 1.145 96 V CB 0.370 32.193 31.823 0.000 0.000 0.906 96 V HN 0.295 nan 8.190 nan 0.000 0.464 97 L N 0.314 121.541 121.223 0.006 0.000 2.332 97 L HA 0.519 4.859 4.340 -0.000 0.000 0.269 97 L C -2.383 174.493 176.870 0.010 0.000 1.016 97 L CA -1.796 53.049 54.840 0.009 0.000 0.809 97 L CB 1.541 43.607 42.059 0.011 0.000 1.280 97 L HN 0.042 nan 8.230 nan 0.000 0.447 98 P HA 0.092 nan 4.420 nan 0.000 0.272 98 P C -0.520 176.788 177.300 0.014 0.000 1.240 98 P CA -0.278 62.829 63.100 0.012 0.000 0.791 98 P CB 0.609 32.317 31.700 0.012 0.000 0.978 99 D N -0.155 120.253 120.400 0.014 0.000 2.117 99 D HA -0.165 4.475 4.640 -0.000 0.000 0.198 99 D C 1.363 177.674 176.300 0.018 0.000 0.982 99 D CA 1.318 55.327 54.000 0.015 0.000 0.828 99 D CB -0.391 40.418 40.800 0.014 0.000 0.967 99 D HN 0.530 nan 8.370 nan 0.000 0.464 100 D N 0.505 120.916 120.400 0.017 0.000 2.219 100 D HA -0.104 4.536 4.640 -0.000 0.000 0.205 100 D C 1.930 178.242 176.300 0.021 0.000 0.970 100 D CA 0.540 54.551 54.000 0.018 0.000 0.851 100 D CB -0.250 40.560 40.800 0.016 0.000 0.943 100 D HN 0.168 nan 8.370 nan 0.000 0.488 101 V N 1.104 121.031 119.914 0.021 0.000 2.302 101 V HA -0.177 3.943 4.120 -0.000 0.000 0.243 101 V C 2.935 179.045 176.094 0.027 0.000 1.036 101 V CA 0.903 63.217 62.300 0.024 0.000 1.020 101 V CB -0.408 31.428 31.823 0.022 0.000 0.657 101 V HN 0.066 nan 8.190 nan 0.000 0.453 102 V N 0.220 120.148 119.914 0.024 0.000 2.568 102 V HA -0.258 3.862 4.120 -0.000 0.000 0.253 102 V C 2.679 178.790 176.094 0.029 0.000 1.072 102 V CA 2.286 64.602 62.300 0.026 0.000 1.084 102 V CB -0.734 31.102 31.823 0.021 0.000 0.676 102 V HN 0.621 nan 8.190 nan 0.000 0.469 103 S N -0.191 115.526 115.700 0.027 0.000 2.355 103 S HA -0.173 4.297 4.470 -0.000 0.000 0.222 103 S C 2.231 176.851 174.600 0.034 0.000 1.031 103 S CA 1.951 60.168 58.200 0.029 0.000 0.993 103 S CB -0.226 62.989 63.200 0.025 0.000 0.859 103 S HN 0.632 nan 8.310 nan 0.000 0.453 104 S N 1.597 117.316 115.700 0.032 0.000 2.355 104 S HA 0.036 4.506 4.470 -0.000 0.000 0.222 104 S C 1.815 176.442 174.600 0.045 0.000 1.031 104 S CA 1.439 59.659 58.200 0.034 0.000 0.993 104 S CB -0.560 62.658 63.200 0.029 0.000 0.859 104 S HN 0.527 nan 8.310 nan 0.000 0.453 105 I N 2.313 122.911 120.570 0.045 0.000 2.264 105 I HA -0.246 3.924 4.170 -0.000 0.000 0.248 105 I C 2.550 178.703 176.117 0.060 0.000 1.111 105 I CA 1.034 62.366 61.300 0.053 0.000 1.382 105 I CB -0.417 37.612 38.000 0.049 0.000 1.060 105 I HN 0.387 nan 8.210 nan 0.000 0.418 106 N N 0.612 119.344 118.700 0.054 0.000 2.166 106 N HA -0.250 4.490 4.740 -0.000 0.000 0.186 106 N C 1.868 177.421 175.510 0.071 0.000 1.019 106 N CA 1.444 54.528 53.050 0.056 0.000 0.856 106 N CB 0.081 38.596 38.487 0.046 0.000 0.993 106 N HN 0.281 nan 8.380 nan 0.000 0.426 107 E N 1.254 121.502 120.200 0.080 0.000 2.106 107 E HA -0.129 4.221 4.350 -0.000 0.000 0.192 107 E C 1.664 178.379 176.600 0.191 0.000 0.984 107 E CA 1.276 57.749 56.400 0.122 0.000 0.806 107 E CB -0.209 29.544 29.700 0.088 0.000 0.750 107 E HN 0.378 nan 8.360 nan 0.000 0.458 108 Q N -0.719 119.166 119.800 0.140 0.000 2.508 108 Q HA 0.001 4.341 4.340 -0.000 0.000 0.214 108 Q C 0.601 176.676 176.000 0.124 0.000 0.979 108 Q CA 0.668 56.566 55.803 0.158 0.000 0.911 108 Q CB 0.110 28.904 28.738 0.093 0.000 0.969 108 Q HN 0.311 nan 8.270 nan 0.000 0.504 109 L N -0.897 120.376 121.223 0.085 0.000 3.218 109 L HA 0.233 4.573 4.340 -0.000 0.000 0.279 109 L C 0.276 177.136 176.870 -0.018 0.000 1.287 109 L CA -0.092 54.774 54.840 0.042 0.000 1.024 109 L CB 0.928 43.039 42.059 0.087 0.000 1.409 109 L HN -0.098 nan 8.230 nan 0.000 0.580 110 S N -0.362 115.285 115.700 -0.089 0.000 2.749 110 S HA 0.333 4.803 4.470 -0.000 0.000 0.246 110 S C 0.730 175.086 174.600 -0.407 0.000 1.023 110 S CA -0.254 57.863 58.200 -0.139 0.000 1.012 110 S CB 1.074 64.271 63.200 -0.005 0.000 0.942 110 S HN 0.420 nan 8.310 nan 0.000 0.531 111 G N 0.420 108.809 108.800 -0.685 0.000 2.521 111 G HA2 0.628 4.588 3.960 -0.000 0.000 0.323 111 G HA3 0.628 4.588 3.960 -0.000 0.000 0.323 111 G C 0.933 175.636 174.900 -0.330 0.000 1.211 111 G CA -0.191 44.401 45.100 -0.847 0.000 0.979 111 G HN 0.197 nan 8.290 nan 0.000 0.490 112 A N -0.744 121.952 122.820 -0.208 0.000 1.927 112 A HA -0.172 4.148 4.320 -0.000 0.000 0.220 112 A C 2.529 180.060 177.584 -0.088 0.000 1.185 112 A CA 2.320 54.292 52.037 -0.107 0.000 0.639 112 A CB -1.082 17.882 19.000 -0.061 0.000 0.820 112 A HN 0.649 nan 8.150 nan 0.000 0.451 113 C N -1.341 117.911 119.300 -0.079 0.000 2.413 113 C HA -0.109 4.351 4.460 -0.000 0.000 0.276 113 C C 3.036 177.965 174.990 -0.102 0.000 1.248 113 C CA 1.601 60.593 59.018 -0.044 0.000 1.742 113 C CB -1.624 26.117 27.740 0.003 0.000 2.017 113 C HN 0.668 nan 8.230 nan 0.000 0.481 114 T N 0.433 114.903 114.554 -0.139 0.000 2.788 114 T HA -0.148 4.202 4.350 -0.000 0.000 0.268 114 T C 1.785 176.338 174.700 -0.246 0.000 1.044 114 T CA 2.101 64.085 62.100 -0.194 0.000 1.139 114 T CB -0.434 68.351 68.868 -0.138 0.000 0.867 114 T HN 0.624 nan 8.240 nan 0.000 0.454 115 T N 2.003 116.459 114.554 -0.164 0.000 2.746 115 T HA -0.083 4.267 4.350 -0.000 0.000 0.267 115 T C 1.967 176.598 174.700 -0.115 0.000 1.039 115 T CA 0.899 62.920 62.100 -0.133 0.000 1.142 115 T CB -0.173 68.644 68.868 -0.085 0.000 0.866 115 T HN 0.305 nan 8.240 nan 0.000 0.444 116 E N 0.880 121.033 120.200 -0.079 0.000 2.051 116 E HA -0.055 4.295 4.350 -0.000 0.000 0.192 116 E C 2.365 178.948 176.600 -0.029 0.000 0.991 116 E CA 0.700 57.090 56.400 -0.017 0.000 0.799 116 E CB -0.341 29.367 29.700 0.014 0.000 0.748 116 E HN 0.361 nan 8.360 nan 0.000 0.449 117 I N 1.175 121.664 120.570 -0.135 0.000 2.163 117 I HA -0.232 3.938 4.170 -0.000 0.000 0.243 117 I C 2.410 178.411 176.117 -0.192 0.000 1.085 117 I CA 1.250 62.446 61.300 -0.174 0.000 1.347 117 I CB -1.547 36.276 38.000 -0.296 0.000 1.044 117 I HN -0.042 nan 8.210 nan 0.000 0.408 118 A N 0.729 123.291 122.820 -0.431 0.000 1.933 118 A HA -0.099 4.221 4.320 -0.000 0.000 0.218 118 A C 2.553 180.072 177.584 -0.109 0.000 1.175 118 A CA 1.922 53.744 52.037 -0.358 0.000 0.628 118 A CB -0.704 18.059 19.000 -0.395 0.000 0.814 118 A HN 0.434 nan 8.150 nan 0.000 0.444 119 A N -1.392 121.361 122.820 -0.112 0.000 1.898 119 A HA -0.028 4.292 4.320 -0.000 0.000 0.216 119 A C 2.018 179.491 177.584 -0.186 0.000 1.181 119 A CA 1.431 53.340 52.037 -0.214 0.000 0.620 119 A CB -0.694 18.193 19.000 -0.188 0.000 0.819 119 A HN 0.607 nan 8.150 nan 0.000 0.442 120 F N 0.805 120.750 119.950 -0.007 0.000 2.216 120 F HA -0.184 4.343 4.527 -0.000 0.000 0.300 120 F C 1.916 177.837 175.800 0.202 0.000 1.085 120 F CA 1.875 59.988 58.000 0.189 0.000 1.326 120 F CB -0.010 39.061 39.000 0.118 0.000 1.027 120 F HN 0.261 nan 8.300 nan 0.000 0.497 121 D N 0.143 120.696 120.400 0.255 0.000 2.144 121 D HA -0.153 4.487 4.640 -0.000 0.000 0.199 121 D C 2.082 178.462 176.300 0.134 0.000 0.984 121 D CA 1.118 55.307 54.000 0.316 0.000 0.834 121 D CB -0.027 40.986 40.800 0.356 0.000 0.955 121 D HN 0.329 nan 8.370 nan 0.000 0.465 122 E N -0.282 119.919 120.200 0.001 0.000 2.046 122 E HA -0.114 4.236 4.350 -0.000 0.000 0.190 122 E C 2.247 178.842 176.600 -0.008 0.000 0.982 122 E CA 0.339 56.717 56.400 -0.037 0.000 0.800 122 E CB -0.569 29.050 29.700 -0.135 0.000 0.756 122 E HN 0.328 nan 8.360 nan 0.000 0.449 123 F N 1.950 121.846 119.950 -0.090 0.000 2.091 123 F HA -0.219 4.308 4.527 -0.000 0.000 0.299 123 F C 2.662 178.317 175.800 -0.242 0.000 1.103 123 F CA 1.503 59.380 58.000 -0.205 0.000 1.228 123 F CB -1.384 37.334 39.000 -0.469 0.000 0.984 123 F HN 0.001 nan 8.300 nan 0.000 0.477 124 T N -0.422 114.045 114.554 -0.144 0.000 2.720 124 T HA -0.177 4.173 4.350 -0.000 0.000 0.268 124 T C 2.334 177.030 174.700 -0.007 0.000 1.037 124 T CA 1.483 63.512 62.100 -0.119 0.000 1.144 124 T CB -1.137 67.716 68.868 -0.025 0.000 0.864 124 T HN 0.441 nan 8.240 nan 0.000 0.444 125 G N 2.027 110.850 108.800 0.038 0.000 2.459 125 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.217 125 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.217 125 G C 1.396 176.354 174.900 0.096 0.000 1.183 125 G CA 0.526 45.663 45.100 0.061 0.000 0.776 125 G HN 0.302 nan 8.290 nan 0.000 0.552 126 L N 0.445 121.753 121.223 0.141 0.000 1.976 126 L HA 0.029 4.369 4.340 -0.000 0.000 0.209 126 L C 3.064 180.042 176.870 0.179 0.000 1.071 126 L CA 1.193 56.155 54.840 0.203 0.000 0.746 126 L CB -1.453 40.820 42.059 0.357 0.000 0.890 126 L HN 0.213 nan 8.230 nan 0.000 0.432 127 L N -0.263 120.995 121.223 0.058 0.000 2.129 127 L HA -0.214 4.126 4.340 -0.000 0.000 0.212 127 L C 1.973 178.838 176.870 -0.007 0.000 1.087 127 L CA 1.764 56.493 54.840 -0.185 0.000 0.757 127 L CB -0.751 41.089 42.059 -0.366 0.000 0.896 127 L HN 0.466 nan 8.230 nan 0.000 0.434 128 T N -4.726 109.895 114.554 0.113 0.000 3.244 128 T HA 0.040 4.390 4.350 -0.000 0.000 0.254 128 T C 0.218 175.064 174.700 0.242 0.000 1.024 128 T CA -0.392 61.891 62.100 0.305 0.000 0.920 128 T CB -0.239 68.805 68.868 0.293 0.000 1.042 128 T HN 0.003 nan 8.240 nan 0.000 0.572 129 D N 0.825 121.353 120.400 0.214 0.000 2.477 129 D HA 0.619 5.259 4.640 -0.000 0.000 0.239 129 D C 1.228 177.646 176.300 0.197 0.000 1.102 129 D CA -0.461 53.643 54.000 0.173 0.000 0.901 129 D CB 1.002 41.888 40.800 0.143 0.000 1.026 129 D HN 0.157 nan 8.370 nan 0.000 0.515 130 A N 2.782 125.709 122.820 0.178 0.000 1.892 130 A HA -0.220 4.100 4.320 -0.000 0.000 0.218 130 A C 2.218 179.870 177.584 0.113 0.000 1.188 130 A CA 2.253 54.384 52.037 0.156 0.000 0.631 130 A CB -0.786 18.287 19.000 0.121 0.000 0.822 130 A HN 0.633 nan 8.150 nan 0.000 0.447 131 S N -0.153 115.602 115.700 0.091 0.000 2.389 131 S HA -0.246 4.224 4.470 -0.000 0.000 0.231 131 S C 1.720 176.374 174.600 0.088 0.000 1.052 131 S CA 1.847 60.087 58.200 0.067 0.000 1.053 131 S CB -0.775 62.459 63.200 0.057 0.000 0.886 131 S HN 0.275 nan 8.310 nan 0.000 0.456 132 L N 1.501 122.811 121.223 0.145 0.000 2.013 132 L HA 0.029 4.369 4.340 -0.000 0.000 0.212 132 L C 2.426 179.418 176.870 0.203 0.000 1.073 132 L CA 1.546 56.523 54.840 0.229 0.000 0.753 132 L CB -0.854 41.349 42.059 0.242 0.000 0.890 132 L HN 0.398 nan 8.230 nan 0.000 0.432 133 L N -1.432 119.860 121.223 0.114 0.000 2.633 133 L HA -0.141 4.199 4.340 -0.000 0.000 0.235 133 L C 1.912 178.780 176.870 -0.003 0.000 1.163 133 L CA 0.635 55.493 54.840 0.030 0.000 0.859 133 L CB -0.850 41.195 42.059 -0.023 0.000 0.973 133 L HN 0.299 nan 8.230 nan 0.000 0.451 134 T N -1.180 113.375 114.554 0.003 0.000 3.044 134 T HA 0.044 4.394 4.350 -0.000 0.000 0.255 134 T C 1.903 176.533 174.700 -0.116 0.000 1.073 134 T CA 0.531 62.605 62.100 -0.043 0.000 1.125 134 T CB 0.184 69.036 68.868 -0.026 0.000 0.908 134 T HN 0.226 nan 8.240 nan 0.000 0.480 135 R N -0.276 120.123 120.500 -0.168 0.000 2.308 135 R HA 0.309 4.649 4.340 -0.000 0.000 0.202 135 R C -0.490 175.310 176.300 -0.834 0.000 0.898 135 R CA 0.261 56.065 56.100 -0.494 0.000 1.046 135 R CB 0.293 30.232 30.300 -0.602 0.000 1.026 135 R HN 0.341 nan 8.270 nan 0.000 0.512 136 F N -0.704 119.200 119.950 -0.077 0.000 2.613 136 F HA 0.319 4.846 4.527 -0.000 0.000 0.310 136 F C 0.915 176.614 175.800 -0.168 0.000 1.085 136 F CA -1.006 56.931 58.000 -0.103 0.000 0.945 136 F CB 1.805 40.751 39.000 -0.090 0.000 1.298 136 F HN -0.280 nan 8.300 nan 0.000 0.455 137 D N -0.572 119.812 120.400 -0.027 0.000 2.327 137 D HA 0.038 4.678 4.640 -0.000 0.000 0.205 137 D C -0.240 175.691 176.300 -0.616 0.000 0.989 137 D CA 1.023 54.825 54.000 -0.330 0.000 0.873 137 D CB 0.345 40.921 40.800 -0.374 0.000 0.955 137 D HN 0.548 nan 8.370 nan 0.000 0.515 138 H N -0.851 118.217 119.070 -0.003 0.000 2.954 138 H HA 0.457 5.013 4.556 -0.000 0.000 0.361 138 H C -0.766 174.476 175.328 -0.143 0.000 1.122 138 H CA -0.508 55.492 56.048 -0.081 0.000 1.217 138 H CB 2.341 32.070 29.762 -0.055 0.000 1.776 138 H HN -0.192 nan 8.280 nan 0.000 0.533 139 I N 4.414 124.949 120.570 -0.058 0.000 2.411 139 I HA 0.318 4.488 4.170 -0.000 0.000 0.284 139 I C -0.704 175.263 176.117 -0.249 0.000 1.012 139 I CA -0.373 60.790 61.300 -0.228 0.000 1.119 139 I CB 1.275 39.184 38.000 -0.151 0.000 1.261 139 I HN 0.372 nan 8.210 nan 0.000 0.448 140 I N 6.176 126.550 120.570 -0.326 0.000 2.404 140 I HA 0.408 4.578 4.170 -0.000 0.000 0.293 140 I C -0.864 175.063 176.117 -0.318 0.000 0.992 140 I CA -0.472 60.712 61.300 -0.193 0.000 1.149 140 I CB 1.383 39.390 38.000 0.012 0.000 1.315 140 I HN 0.318 nan 8.210 nan 0.000 0.446 141 F N 3.629 123.498 119.950 -0.134 0.000 2.469 141 F HA 0.240 4.767 4.527 -0.000 0.000 0.332 141 F C 0.988 176.910 175.800 0.204 0.000 1.103 141 F CA -0.814 57.189 58.000 0.004 0.000 0.979 141 F CB 1.253 40.197 39.000 -0.094 0.000 1.137 141 F HN 0.511 nan 8.300 nan 0.000 0.463 142 D N -0.258 120.365 120.400 0.371 0.000 2.319 142 D HA 0.041 4.681 4.640 -0.000 0.000 0.230 142 D C 0.208 176.705 176.300 0.328 0.000 1.094 142 D CA 0.244 54.426 54.000 0.304 0.000 0.856 142 D CB -0.410 40.472 40.800 0.137 0.000 0.915 142 D HN 0.529 nan 8.370 nan 0.000 0.517 143 T N -3.928 110.878 114.554 0.420 0.000 2.816 143 T HA 0.759 5.108 4.350 -0.000 0.000 0.299 143 T C -1.192 173.739 174.700 0.384 0.000 1.230 143 T CA -0.860 61.459 62.100 0.365 0.000 1.007 143 T CB 1.928 71.001 68.868 0.341 0.000 1.289 143 T HN 0.184 nan 8.240 nan 0.000 0.508 144 A N 1.453 124.404 122.820 0.219 0.000 2.515 144 A HA 0.914 5.234 4.320 -0.000 0.000 0.298 144 A C -2.915 174.645 177.584 -0.040 0.000 1.059 144 A CA -1.702 50.306 52.037 -0.049 0.000 0.698 144 A CB 0.968 19.918 19.000 -0.083 0.000 1.289 144 A HN 0.808 nan 8.150 nan 0.000 0.404 145 P HA 0.302 nan 4.420 nan 0.000 0.272 145 P C 0.148 177.445 177.300 -0.006 0.000 1.230 145 P CA 0.207 63.338 63.100 0.053 0.000 0.788 145 P CB 0.687 32.480 31.700 0.155 0.000 0.949 146 T N -2.408 112.167 114.554 0.036 0.000 2.874 146 T HA 0.342 4.692 4.350 -0.000 0.000 0.281 146 T C 1.723 176.413 174.700 -0.015 0.000 0.994 146 T CA -0.041 62.069 62.100 0.016 0.000 1.015 146 T CB 0.686 69.588 68.868 0.055 0.000 1.028 146 T HN 0.451 nan 8.240 nan 0.000 0.523 147 G N -0.029 108.764 108.800 -0.012 0.000 2.440 147 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.218 147 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.218 147 G C 1.325 176.211 174.900 -0.023 0.000 1.154 147 G CA 1.324 46.406 45.100 -0.030 0.000 0.767 147 G HN 1.029 nan 8.290 nan 0.000 0.552 148 H N 0.960 119.984 119.070 -0.077 0.000 2.265 148 H HA -0.102 4.454 4.556 -0.000 0.000 0.295 148 H C 2.676 177.928 175.328 -0.125 0.000 1.084 148 H CA 2.427 58.424 56.048 -0.085 0.000 1.261 148 H CB -0.649 29.073 29.762 -0.066 0.000 1.360 148 H HN 0.232 nan 8.280 nan 0.000 0.487 149 T N 0.753 115.139 114.554 -0.280 0.000 2.759 149 T HA -0.134 4.216 4.350 -0.000 0.000 0.269 149 T C 2.255 176.664 174.700 -0.486 0.000 1.042 149 T CA 1.640 63.499 62.100 -0.401 0.000 1.140 149 T CB -0.274 68.473 68.868 -0.203 0.000 0.864 149 T HN 0.317 nan 8.240 nan 0.000 0.455 150 I N 0.186 120.547 120.570 -0.349 0.000 2.286 150 I HA -0.101 4.069 4.170 -0.000 0.000 0.245 150 I C 2.823 178.787 176.117 -0.254 0.000 1.104 150 I CA 1.048 62.148 61.300 -0.333 0.000 1.397 150 I CB -0.251 37.645 38.000 -0.174 0.000 1.072 150 I HN 0.111 nan 8.210 nan 0.000 0.417 151 R N 0.676 121.054 120.500 -0.204 0.000 2.080 151 R HA -0.175 4.165 4.340 -0.000 0.000 0.236 151 R C 2.361 178.549 176.300 -0.187 0.000 1.137 151 R CA 1.475 57.485 56.100 -0.151 0.000 0.943 151 R CB -0.547 29.690 30.300 -0.105 0.000 0.846 151 R HN 0.294 nan 8.270 nan 0.000 0.431 152 L N 0.704 121.748 121.223 -0.297 0.000 1.997 152 L HA -0.253 4.087 4.340 -0.000 0.000 0.216 152 L C 2.258 178.968 176.870 -0.267 0.000 1.074 152 L CA 1.440 56.093 54.840 -0.312 0.000 0.763 152 L CB -0.398 41.397 42.059 -0.440 0.000 0.890 152 L HN 0.273 nan 8.230 nan 0.000 0.434 153 L N -0.421 120.626 121.223 -0.294 0.000 2.552 153 L HA -0.134 4.206 4.340 -0.000 0.000 0.227 153 L C 2.148 179.084 176.870 0.111 0.000 1.146 153 L CA 0.469 55.218 54.840 -0.152 0.000 0.858 153 L CB -0.344 41.527 42.059 -0.312 0.000 0.969 153 L HN 0.518 nan 8.230 nan 0.000 0.451 154 Q N -0.515 119.300 119.800 0.025 0.000 2.247 154 Q HA 0.197 4.537 4.340 -0.000 0.000 0.211 154 Q C 0.469 176.534 176.000 0.109 0.000 0.861 154 Q CA -0.105 55.755 55.803 0.095 0.000 0.949 154 Q CB 0.302 29.053 28.738 0.022 0.000 1.115 154 Q HN 0.393 nan 8.270 nan 0.000 0.507 155 L N 2.583 123.848 121.223 0.070 0.000 2.367 155 L HA 0.193 4.533 4.340 -0.000 0.000 0.275 155 L C -1.672 175.290 176.870 0.154 0.000 1.129 155 L CA -1.813 53.059 54.840 0.052 0.000 0.839 155 L CB 0.915 42.952 42.059 -0.036 0.000 1.133 155 L HN -0.053 nan 8.230 nan 0.000 0.453 156 P HA -0.131 nan 4.420 nan 0.000 0.215 156 P C 1.470 178.879 177.300 0.181 0.000 1.153 156 P CA 1.058 64.283 63.100 0.209 0.000 0.853 156 P CB 0.215 31.983 31.700 0.113 0.000 0.788 157 G N 0.157 108.996 108.800 0.064 0.000 2.462 157 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.220 157 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.220 157 G C 1.600 176.450 174.900 -0.083 0.000 1.121 157 G CA 0.825 45.927 45.100 0.003 0.000 0.758 157 G HN 0.339 nan 8.290 nan 0.000 0.559 158 A N -0.194 122.505 122.820 -0.201 0.000 2.070 158 A HA 0.024 4.344 4.320 -0.000 0.000 0.220 158 A C 2.042 179.208 177.584 -0.696 0.000 1.159 158 A CA 1.299 53.033 52.037 -0.505 0.000 0.656 158 A CB -0.451 18.119 19.000 -0.717 0.000 0.800 158 A HN 0.571 nan 8.150 nan 0.000 0.453 159 W N -0.535 120.770 121.300 0.009 0.000 2.762 159 W HA 0.101 4.761 4.660 -0.000 0.000 0.265 159 W C 2.356 178.898 176.519 0.039 0.000 1.263 159 W CA 0.722 58.085 57.345 0.030 0.000 1.411 159 W CB -0.023 29.459 29.460 0.036 0.000 1.065 159 W HN 0.357 nan 8.180 nan 0.000 0.609 160 S N -1.678 114.133 115.700 0.185 0.000 2.523 160 S HA 0.282 4.752 4.470 -0.000 0.000 0.217 160 S C 0.551 175.204 174.600 0.088 0.000 0.996 160 S CA -0.278 58.002 58.200 0.133 0.000 0.921 160 S CB -0.054 63.217 63.200 0.118 0.000 0.829 160 S HN -0.120 nan 8.310 nan 0.000 0.495 161 S N 0.865 116.599 115.700 0.057 0.000 2.648 161 S HA 0.786 5.256 4.470 -0.000 0.000 0.305 161 S C -1.424 173.234 174.600 0.097 0.000 1.094 161 S CA -0.613 57.619 58.200 0.053 0.000 0.983 161 S CB 1.421 64.619 63.200 -0.004 0.000 1.101 161 S HN 0.434 nan 8.310 nan 0.000 0.514 162 F N 1.639 121.567 119.950 -0.037 0.000 2.561 162 F HA 0.635 5.162 4.527 -0.000 0.000 0.313 162 F C -1.623 174.154 175.800 -0.038 0.000 1.126 162 F CA -0.875 57.101 58.000 -0.040 0.000 0.918 162 F CB 0.765 39.749 39.000 -0.026 0.000 1.199 162 F HN 0.433 nan 8.300 nan 0.000 0.444 163 I N 5.039 124.956 120.570 -1.088 0.000 2.378 163 I HA 0.217 4.387 4.170 -0.000 0.000 0.291 163 I C 0.042 175.688 176.117 -0.786 0.000 0.992 163 I CA -0.836 60.041 61.300 -0.704 0.000 1.154 163 I CB 1.275 39.033 38.000 -0.403 0.000 1.315 163 I HN 0.586 nan 8.210 nan 0.000 0.448 172 C N 4.348 123.672 119.300 0.040 0.000 2.976 172 C HA 0.399 4.859 4.460 -0.000 0.000 0.274 172 C C 1.762 176.755 174.990 0.005 0.000 1.487 172 C CA -0.318 58.728 59.018 0.047 0.000 1.789 172 C CB -1.810 25.969 27.740 0.065 0.000 2.771 172 C HN 0.787 nan 8.230 nan 0.000 0.551 173 L N 1.043 122.249 121.223 -0.029 0.000 2.478 173 L HA 0.081 4.421 4.340 -0.000 0.000 0.223 173 L C 2.569 179.407 176.870 -0.053 0.000 1.140 173 L CA 0.991 55.788 54.840 -0.071 0.000 0.842 173 L CB -0.406 41.580 42.059 -0.123 0.000 0.953 173 L HN 0.613 nan 8.230 nan 0.000 0.452 174 G N 1.560 110.353 108.800 -0.012 0.000 2.513 174 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.219 174 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.219 174 G C -0.706 174.232 174.900 0.063 0.000 1.160 174 G CA 0.735 45.852 45.100 0.029 0.000 0.767 174 G HN 0.345 nan 8.290 nan 0.000 0.571 175 P HA -0.037 nan 4.420 nan 0.000 0.225 175 P C 2.048 179.456 177.300 0.180 0.000 1.148 175 P CA 0.712 63.916 63.100 0.174 0.000 0.779 175 P CB 0.001 31.705 31.700 0.007 0.000 0.780 176 M N -0.626 118.980 119.600 0.011 0.000 2.213 176 M HA -0.068 4.412 4.480 -0.000 0.000 0.263 176 M C 1.861 178.128 176.300 -0.056 0.000 1.062 176 M CA 1.521 56.766 55.300 -0.092 0.000 1.105 176 M CB -1.692 30.786 32.600 -0.204 0.000 1.385 176 M HN -0.069 nan 8.290 nan 0.000 0.417 177 A N -0.286 122.540 122.820 0.009 0.000 2.252 177 A HA 0.263 4.582 4.320 -0.000 0.000 0.207 177 A C 2.098 179.677 177.584 -0.008 0.000 1.194 177 A CA 1.084 53.132 52.037 0.019 0.000 0.809 177 A CB -1.088 17.951 19.000 0.064 0.000 0.814 177 A HN 0.536 nan 8.150 nan 0.000 0.482 178 G N -0.721 108.076 108.800 -0.006 0.000 2.796 178 G HA2 0.304 4.264 3.960 -0.000 0.000 0.210 178 G HA3 0.304 4.264 3.960 -0.000 0.000 0.210 178 G C 0.508 175.286 174.900 -0.204 0.000 1.146 178 G CA -0.312 44.600 45.100 -0.315 0.000 0.779 178 G HN 0.402 nan 8.290 nan 0.000 0.535 179 L N 1.200 122.485 121.223 0.103 0.000 2.477 179 L HA 0.209 4.549 4.340 -0.000 0.000 0.272 179 L C 1.011 178.039 176.870 0.264 0.000 1.157 179 L CA 0.055 55.048 54.840 0.255 0.000 0.889 179 L CB 0.923 43.072 42.059 0.150 0.000 1.158 179 L HN 0.187 nan 8.230 nan 0.000 0.473 180 E N 1.966 122.326 120.200 0.268 0.000 2.473 180 E HA 0.087 4.437 4.350 -0.000 0.000 0.204 180 E C 0.008 176.736 176.600 0.215 0.000 0.994 180 E CA -0.083 56.430 56.400 0.189 0.000 0.945 180 E CB 0.593 30.346 29.700 0.089 0.000 0.990 180 E HN 0.527 nan 8.360 nan 0.000 0.493 181 K N 1.431 122.009 120.400 0.297 0.000 2.168 181 K HA 0.139 4.459 4.320 -0.000 0.000 0.258 181 K C 0.344 177.035 176.600 0.152 0.000 1.010 181 K CA -0.348 56.000 56.287 0.101 0.000 0.929 181 K CB 0.613 32.991 32.500 -0.203 0.000 0.998 181 K HN -0.113 nan 8.250 nan 0.000 0.479 182 Q N 1.707 121.500 119.800 -0.012 0.000 2.394 182 Q HA -0.014 4.326 4.340 -0.000 0.000 0.248 182 Q C 1.046 176.967 176.000 -0.131 0.000 0.992 182 Q CA 0.412 56.196 55.803 -0.032 0.000 0.888 182 Q CB 0.829 29.521 28.738 -0.075 0.000 1.257 182 Q HN 0.559 nan 8.270 nan 0.000 0.462 183 R N 1.717 122.026 120.500 -0.319 0.000 2.133 183 R HA -0.237 4.103 4.340 -0.000 0.000 0.247 183 R C 0.896 176.980 176.300 -0.361 0.000 1.151 183 R CA 1.917 57.555 56.100 -0.770 0.000 0.971 183 R CB 0.289 29.842 30.300 -1.245 0.000 0.866 183 R HN 0.536 nan 8.270 nan 0.000 0.447 184 E N 0.342 120.395 120.200 -0.246 0.000 2.153 184 E HA -0.188 4.162 4.350 -0.000 0.000 0.194 184 E C 1.946 178.497 176.600 -0.083 0.000 0.988 184 E CA 1.283 57.597 56.400 -0.144 0.000 0.811 184 E CB -0.038 29.585 29.700 -0.129 0.000 0.746 184 E HN 0.494 nan 8.360 nan 0.000 0.466 185 Q N -1.107 118.598 119.800 -0.159 0.000 2.137 185 Q HA -0.091 4.249 4.340 -0.000 0.000 0.198 185 Q C 1.533 177.485 176.000 -0.079 0.000 0.960 185 Q CA 0.870 56.590 55.803 -0.140 0.000 0.847 185 Q CB -0.037 28.526 28.738 -0.291 0.000 0.915 185 Q HN 0.391 nan 8.270 nan 0.000 0.448 186 Y N -0.064 120.321 120.300 0.142 0.000 2.242 186 Y HA -0.156 4.394 4.550 -0.000 0.000 0.291 186 Y C 2.289 178.308 175.900 0.198 0.000 1.137 186 Y CA 1.018 59.273 58.100 0.259 0.000 1.181 186 Y CB -0.574 38.094 38.460 0.347 0.000 0.989 186 Y HN 0.134 nan 8.280 nan 0.000 0.527 187 A N -0.953 121.992 122.820 0.209 0.000 1.929 187 A HA -0.208 4.112 4.320 -0.000 0.000 0.216 187 A C 2.041 179.713 177.584 0.148 0.000 1.176 187 A CA 1.325 53.447 52.037 0.142 0.000 0.628 187 A CB -1.194 17.838 19.000 0.054 0.000 0.816 187 A HN 0.515 nan 8.150 nan 0.000 0.444 188 Y N 0.836 121.145 120.300 0.014 0.000 2.145 188 Y HA -0.104 4.446 4.550 0.000 0.000 0.286 188 Y C 2.666 178.572 175.900 0.009 0.000 1.145 188 Y CA 1.058 59.158 58.100 0.001 0.000 1.148 188 Y CB -0.765 37.679 38.460 -0.026 0.000 0.981 188 Y HN 0.313 nan 8.280 nan 0.000 0.507 189 A N -0.387 122.420 122.820 -0.021 0.000 1.851 189 A HA -0.211 4.109 4.320 -0.000 0.000 0.216 189 A C 2.376 179.905 177.584 -0.092 0.000 1.195 189 A CA 2.548 54.512 52.037 -0.122 0.000 0.622 189 A CB -1.451 17.540 19.000 -0.016 0.000 0.831 189 A HN 0.312 nan 8.150 nan 0.000 0.444 190 V N 0.058 120.020 119.914 0.081 0.000 2.469 190 V HA -0.289 3.831 4.120 -0.000 0.000 0.251 190 V C 2.460 178.532 176.094 -0.036 0.000 1.064 190 V CA 2.369 64.704 62.300 0.058 0.000 1.066 190 V CB -0.801 31.084 31.823 0.104 0.000 0.667 190 V HN 0.725 nan 8.190 nan 0.000 0.461 191 E N 0.024 120.190 120.200 -0.057 0.000 2.072 191 E HA -0.189 4.161 4.350 -0.000 0.000 0.191 191 E C 2.292 178.817 176.600 -0.125 0.000 0.985 191 E CA 1.221 57.578 56.400 -0.072 0.000 0.801 191 E CB -0.208 29.460 29.700 -0.053 0.000 0.750 191 E HN 0.593 nan 8.360 nan 0.000 0.452 192 A N 0.614 123.293 122.820 -0.236 0.000 1.969 192 A HA -0.101 4.219 4.320 -0.000 0.000 0.218 192 A C 2.077 179.583 177.584 -0.130 0.000 1.169 192 A CA 0.796 52.706 52.037 -0.212 0.000 0.635 192 A CB -0.441 18.335 19.000 -0.373 0.000 0.810 192 A HN 0.253 nan 8.150 nan 0.000 0.445 193 L N -0.408 120.708 121.223 -0.177 0.000 2.291 193 L HA -0.053 4.287 4.340 -0.000 0.000 0.214 193 L C 1.961 178.764 176.870 -0.112 0.000 1.120 193 L CA 1.046 55.769 54.840 -0.195 0.000 0.799 193 L CB -0.036 41.848 42.059 -0.291 0.000 0.925 193 L HN 0.266 nan 8.230 nan 0.000 0.446 194 S N -2.015 113.641 115.700 -0.074 0.000 2.556 194 S HA 0.025 4.495 4.470 -0.000 0.000 0.216 194 S C 0.439 175.033 174.600 -0.011 0.000 0.970 194 S CA -0.205 57.970 58.200 -0.041 0.000 0.912 194 S CB -0.034 63.145 63.200 -0.036 0.000 0.790 194 S HN 0.238 nan 8.310 nan 0.000 0.504 195 D N 2.975 123.375 120.400 -0.000 0.000 2.411 195 D HA 0.174 4.814 4.640 -0.000 0.000 0.225 195 D C -1.581 174.751 176.300 0.053 0.000 1.156 195 D CA -2.189 51.827 54.000 0.027 0.000 0.874 195 D CB 1.407 42.226 40.800 0.032 0.000 1.034 195 D HN 0.050 nan 8.370 nan 0.000 0.502 196 P HA -0.165 nan 4.420 nan 0.000 0.222 196 P C 0.893 178.240 177.300 0.080 0.000 1.142 196 P CA 0.871 64.014 63.100 0.071 0.000 0.788 196 P CB 0.500 32.239 31.700 0.066 0.000 0.767 197 K N -0.566 119.876 120.400 0.070 0.000 2.296 197 K HA 0.014 4.334 4.320 -0.000 0.000 0.200 197 K C 2.303 178.951 176.600 0.081 0.000 1.048 197 K CA 0.739 57.066 56.287 0.067 0.000 0.966 197 K CB 0.068 32.601 32.500 0.055 0.000 0.754 197 K HN 0.084 nan 8.250 nan 0.000 0.466 198 R N -0.885 119.685 120.500 0.118 0.000 2.287 198 R HA 0.112 4.452 4.340 -0.000 0.000 0.197 198 R C -0.075 176.399 176.300 0.291 0.000 0.900 198 R CA 0.518 56.733 56.100 0.191 0.000 1.052 198 R CB 1.177 31.644 30.300 0.278 0.000 1.117 198 R HN -0.099 nan 8.270 nan 0.000 0.568 199 T N 0.743 115.433 114.554 0.227 0.000 2.879 199 T HA 0.347 4.697 4.350 -0.000 0.000 0.290 199 T C -1.178 173.619 174.700 0.161 0.000 0.993 199 T CA -0.606 61.646 62.100 0.254 0.000 0.975 199 T CB 2.521 71.519 68.868 0.217 0.000 0.981 199 T HN 0.027 nan 8.240 nan 0.000 0.439 200 R N 3.279 123.869 120.500 0.151 0.000 2.445 200 R HA 0.586 4.926 4.340 -0.000 0.000 0.308 200 R C -1.254 175.085 176.300 0.066 0.000 0.961 200 R CA -0.860 55.289 56.100 0.082 0.000 0.862 200 R CB 0.807 31.090 30.300 -0.029 0.000 1.144 200 R HN 0.378 nan 8.270 nan 0.000 0.447 201 L N 6.237 127.498 121.223 0.064 0.000 2.287 201 L HA 0.440 4.780 4.340 -0.000 0.000 0.287 201 L C -1.334 175.537 176.870 0.002 0.000 1.022 201 L CA -0.520 54.331 54.840 0.018 0.000 0.814 201 L CB 1.753 43.816 42.059 0.006 0.000 1.217 201 L HN 0.471 nan 8.230 nan 0.000 0.420 202 V N 6.762 126.598 119.914 -0.131 0.000 2.334 202 V HA 0.342 4.462 4.120 -0.000 0.000 0.281 202 V C 0.336 176.422 176.094 -0.014 0.000 1.016 202 V CA -0.618 61.609 62.300 -0.122 0.000 0.832 202 V CB 1.586 33.155 31.823 -0.424 0.000 0.999 202 V HN 0.579 nan 8.190 nan 0.000 0.439 203 L N 5.876 127.112 121.223 0.021 0.000 2.313 203 L HA 0.422 4.762 4.340 -0.000 0.000 0.282 203 L C -0.198 176.686 176.870 0.022 0.000 1.092 203 L CA -0.265 54.594 54.840 0.032 0.000 0.831 203 L CB 1.154 43.223 42.059 0.016 0.000 1.159 203 L HN 0.352 nan 8.230 nan 0.000 0.442 204 V N 3.245 123.187 119.914 0.046 0.000 2.427 204 V HA 0.819 4.939 4.120 -0.000 0.000 0.286 204 V C 0.382 176.478 176.094 0.002 0.000 1.034 204 V CA -0.215 62.096 62.300 0.017 0.000 0.893 204 V CB 1.155 33.000 31.823 0.036 0.000 0.982 204 V HN 0.969 nan 8.190 nan 0.000 0.452 205 A N 5.602 128.410 122.820 -0.019 0.000 2.583 205 A HA 0.987 5.307 4.320 -0.000 0.000 0.299 205 A C -0.924 176.645 177.584 -0.026 0.000 1.258 205 A CA -0.848 51.179 52.037 -0.018 0.000 0.682 205 A CB 1.792 20.780 19.000 -0.020 0.000 1.332 205 A HN 0.577 nan 8.150 nan 0.000 0.485 206 R N -0.665 119.821 120.500 -0.024 0.000 2.836 206 R HA 0.471 4.811 4.340 -0.000 0.000 0.269 206 R C -1.286 174.995 176.300 -0.033 0.000 1.010 206 R CA -0.715 55.369 56.100 -0.026 0.000 0.930 206 R CB 1.251 31.542 30.300 -0.014 0.000 1.218 206 R HN 0.576 nan 8.270 nan 0.000 0.473 207 L N 2.529 123.728 121.223 -0.039 0.000 2.480 207 L HA 0.196 4.536 4.340 -0.000 0.000 0.243 207 L C 0.191 177.035 176.870 -0.043 0.000 1.315 207 L CA 0.248 55.057 54.840 -0.052 0.000 1.231 207 L CB -0.064 41.950 42.059 -0.075 0.000 1.444 207 L HN 0.187 nan 8.230 nan 0.000 0.409 208 Q N 1.395 121.177 119.800 -0.031 0.000 2.292 208 Q HA 0.092 4.432 4.340 -0.000 0.000 0.270 208 Q C 0.485 176.473 176.000 -0.020 0.000 1.024 208 Q CA -0.371 55.419 55.803 -0.022 0.000 0.768 208 Q CB 2.483 31.214 28.738 -0.011 0.000 1.250 208 Q HN 0.338 nan 8.270 nan 0.000 0.447 209 K N 1.602 121.990 120.400 -0.020 0.000 2.127 209 K HA -0.257 4.063 4.320 -0.000 0.000 0.212 209 K C 1.659 178.254 176.600 -0.009 0.000 1.050 209 K CA 2.556 58.834 56.287 -0.015 0.000 0.929 209 K CB 0.003 32.497 32.500 -0.010 0.000 0.715 209 K HN 0.480 nan 8.250 nan 0.000 0.457 210 S N -1.232 114.465 115.700 -0.005 0.000 2.357 210 S HA -0.102 4.368 4.470 -0.000 0.000 0.221 210 S C 1.828 176.427 174.600 -0.002 0.000 1.031 210 S CA 1.780 59.979 58.200 -0.001 0.000 0.982 210 S CB -0.508 62.692 63.200 0.000 0.000 0.853 210 S HN 0.522 nan 8.310 nan 0.000 0.458 211 T N 3.089 117.640 114.554 -0.005 0.000 2.759 211 T HA -0.021 4.329 4.350 -0.000 0.000 0.269 211 T C 1.621 176.318 174.700 -0.005 0.000 1.042 211 T CA 1.068 63.165 62.100 -0.004 0.000 1.140 211 T CB -0.307 68.558 68.868 -0.006 0.000 0.864 211 T HN 0.182 nan 8.240 nan 0.000 0.455 212 L N 1.321 122.538 121.223 -0.010 0.000 2.131 212 L HA -0.025 4.315 4.340 -0.000 0.000 0.210 212 L C 2.613 179.481 176.870 -0.003 0.000 1.092 212 L CA 1.502 56.334 54.840 -0.013 0.000 0.759 212 L CB -1.309 40.736 42.059 -0.022 0.000 0.903 212 L HN 0.253 nan 8.230 nan 0.000 0.435 213 Q N -0.482 119.318 119.800 0.001 0.000 2.084 213 Q HA -0.243 4.097 4.340 -0.000 0.000 0.202 213 Q C 2.155 178.164 176.000 0.014 0.000 0.978 213 Q CA 1.546 57.354 55.803 0.008 0.000 0.844 213 Q CB -0.023 28.721 28.738 0.009 0.000 0.898 213 Q HN 0.514 nan 8.270 nan 0.000 0.426 214 E N 0.145 120.352 120.200 0.012 0.000 2.072 214 E HA -0.106 4.244 4.350 -0.000 0.000 0.191 214 E C 1.974 178.587 176.600 0.022 0.000 0.985 214 E CA 1.000 57.409 56.400 0.015 0.000 0.801 214 E CB -0.110 29.596 29.700 0.009 0.000 0.750 214 E HN 0.073 nan 8.360 nan 0.000 0.452 215 V N 1.051 120.976 119.914 0.019 0.000 2.261 215 V HA -0.253 3.867 4.120 -0.000 0.000 0.246 215 V C 2.451 178.576 176.094 0.053 0.000 1.047 215 V CA 1.838 64.155 62.300 0.028 0.000 1.015 215 V CB -1.121 30.707 31.823 0.009 0.000 0.642 215 V HN 0.483 nan 8.190 nan 0.000 0.446 216 A N 0.028 122.873 122.820 0.042 0.000 1.958 216 A HA -0.342 3.978 4.320 -0.000 0.000 0.221 216 A C 2.336 179.980 177.584 0.099 0.000 1.178 216 A CA 2.576 54.657 52.037 0.074 0.000 0.642 216 A CB -0.599 18.427 19.000 0.042 0.000 0.816 216 A HN 0.519 nan 8.150 nan 0.000 0.453 217 R N -1.079 119.454 120.500 0.055 0.000 2.062 217 R HA -0.085 4.255 4.340 -0.000 0.000 0.231 217 R C 2.268 178.585 176.300 0.028 0.000 1.136 217 R CA 2.107 58.227 56.100 0.033 0.000 0.948 217 R CB -0.776 29.537 30.300 0.023 0.000 0.845 217 R HN 0.456 nan 8.270 nan 0.000 0.430 218 T N -0.239 114.339 114.554 0.040 0.000 2.759 218 T HA -0.208 4.142 4.350 -0.000 0.000 0.269 218 T C 1.446 176.169 174.700 0.039 0.000 1.042 218 T CA 1.845 63.964 62.100 0.032 0.000 1.140 218 T CB -0.489 68.403 68.868 0.039 0.000 0.864 218 T HN 0.506 nan 8.240 nan 0.000 0.455 219 H N 1.007 120.067 119.070 -0.016 0.000 2.353 219 H HA 0.062 4.618 4.556 0.000 0.000 0.300 219 H C 1.970 177.285 175.328 -0.023 0.000 1.090 219 H CA 1.359 57.395 56.048 -0.020 0.000 1.327 219 H CB -0.563 29.187 29.762 -0.020 0.000 1.383 219 H HN 0.286 nan 8.280 nan 0.000 0.508 220 L N -0.105 120.965 121.223 -0.254 0.000 2.056 220 L HA -0.093 4.247 4.340 -0.000 0.000 0.207 220 L C 2.668 179.426 176.870 -0.186 0.000 1.078 220 L CA 1.553 56.224 54.840 -0.281 0.000 0.749 220 L CB -0.429 41.560 42.059 -0.118 0.000 0.901 220 L HN 0.399 nan 8.230 nan 0.000 0.433 221 E N 0.320 120.455 120.200 -0.109 0.000 2.051 221 E HA -0.220 4.130 4.350 -0.000 0.000 0.192 221 E C 2.326 178.872 176.600 -0.090 0.000 0.991 221 E CA 1.185 57.539 56.400 -0.077 0.000 0.799 221 E CB -0.048 29.627 29.700 -0.042 0.000 0.748 221 E HN 0.431 nan 8.360 nan 0.000 0.449 222 L N -0.018 121.147 121.223 -0.097 0.000 2.201 222 L HA -0.112 4.228 4.340 -0.000 0.000 0.212 222 L C 2.462 179.265 176.870 -0.111 0.000 1.105 222 L CA 0.699 55.484 54.840 -0.092 0.000 0.775 222 L CB -0.326 41.693 42.059 -0.067 0.000 0.913 222 L HN 0.156 nan 8.230 nan 0.000 0.440 223 A N 0.242 122.957 122.820 -0.175 0.000 1.854 223 A HA -0.073 4.247 4.320 -0.000 0.000 0.214 223 A C 2.565 180.078 177.584 -0.118 0.000 1.192 223 A CA 1.382 53.315 52.037 -0.173 0.000 0.611 223 A CB -0.705 18.105 19.000 -0.317 0.000 0.832 223 A HN 0.334 nan 8.150 nan 0.000 0.442 224 A N -0.158 122.590 122.820 -0.120 0.000 1.986 224 A HA -0.133 4.187 4.320 -0.000 0.000 0.220 224 A C 2.071 179.617 177.584 -0.064 0.000 1.171 224 A CA 1.612 53.600 52.037 -0.081 0.000 0.640 224 A CB -0.622 18.334 19.000 -0.074 0.000 0.811 224 A HN 0.509 nan 8.150 nan 0.000 0.451 225 I N -2.042 118.486 120.570 -0.069 0.000 2.546 225 I HA -0.052 4.118 4.170 -0.000 0.000 0.255 225 I C 1.887 177.972 176.117 -0.053 0.000 1.163 225 I CA 1.224 62.489 61.300 -0.060 0.000 1.457 225 I CB 0.016 37.975 38.000 -0.069 0.000 1.092 225 I HN 0.551 nan 8.210 nan 0.000 0.434 226 G N 0.242 109.009 108.800 -0.056 0.000 2.551 226 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.186 226 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.186 226 G C 0.041 174.916 174.900 -0.040 0.000 1.002 226 G CA -0.658 44.416 45.100 -0.042 0.000 0.723 226 G HN 0.081 nan 8.290 nan 0.000 0.481 227 L N 2.099 123.290 121.223 -0.054 0.000 2.454 227 L HA 0.420 4.760 4.340 -0.000 0.000 0.284 227 L C 1.299 178.161 176.870 -0.012 0.000 1.139 227 L CA 0.422 55.238 54.840 -0.040 0.000 0.911 227 L CB 0.849 42.868 42.059 -0.066 0.000 1.262 227 L HN 0.141 nan 8.230 nan 0.000 0.453 228 K N 1.544 121.950 120.400 0.010 0.000 2.374 228 K HA 0.135 4.455 4.320 -0.000 0.000 0.202 228 K C 0.365 177.002 176.600 0.061 0.000 1.040 228 K CA -0.028 56.277 56.287 0.031 0.000 1.085 228 K CB 0.325 32.835 32.500 0.015 0.000 0.873 228 K HN 0.475 nan 8.250 nan 0.000 0.539 229 N N 2.262 121.009 118.700 0.079 0.000 2.949 229 N HA 0.061 4.801 4.740 -0.000 0.000 0.243 229 N C -1.030 174.591 175.510 0.185 0.000 1.113 229 N CA -0.091 53.041 53.050 0.136 0.000 0.980 229 N CB 0.429 39.001 38.487 0.141 0.000 1.256 229 N HN 0.094 nan 8.380 nan 0.000 0.508 230 Q N 1.811 121.704 119.800 0.154 0.000 2.345 230 Q HA 0.357 4.697 4.340 -0.000 0.000 0.268 230 Q C -1.584 174.474 176.000 0.097 0.000 1.054 230 Q CA -0.670 55.231 55.803 0.164 0.000 0.835 230 Q CB 2.180 31.004 28.738 0.144 0.000 1.339 230 Q HN 0.430 nan 8.270 nan 0.000 0.447 231 Y N 0.597 120.885 120.300 -0.021 0.000 2.477 231 Y HA 0.439 4.989 4.550 -0.000 0.000 0.347 231 Y C -0.908 174.958 175.900 -0.056 0.000 0.981 231 Y CA -0.950 57.138 58.100 -0.020 0.000 1.033 231 Y CB 1.593 40.072 38.460 0.031 0.000 1.245 231 Y HN 0.491 nan 8.280 nan 0.000 0.455 232 L N 3.587 124.833 121.223 0.040 0.000 2.282 232 L HA 0.768 5.108 4.340 -0.000 0.000 0.288 232 L C -1.329 175.537 176.870 -0.007 0.000 1.033 232 L CA -0.489 54.342 54.840 -0.015 0.000 0.807 232 L CB 1.042 43.059 42.059 -0.069 0.000 1.209 232 L HN 0.427 nan 8.230 nan 0.000 0.423 233 V N 7.209 127.090 119.914 -0.056 0.000 2.349 233 V HA 0.386 4.506 4.120 -0.000 0.000 0.284 233 V C 0.087 176.131 176.094 -0.084 0.000 1.014 233 V CA -0.411 61.825 62.300 -0.108 0.000 0.826 233 V CB 1.234 32.885 31.823 -0.288 0.000 1.009 233 V HN 0.596 nan 8.190 nan 0.000 0.431 234 I N 5.114 125.640 120.570 -0.072 0.000 2.337 234 I HA 0.297 4.467 4.170 -0.000 0.000 0.291 234 I C 0.568 176.633 176.117 -0.086 0.000 1.046 234 I CA 0.277 61.533 61.300 -0.073 0.000 1.324 234 I CB 0.478 38.432 38.000 -0.075 0.000 1.409 234 I HN 0.639 nan 8.210 nan 0.000 0.494 235 N N 3.935 122.594 118.700 -0.069 0.000 2.485 235 N HA 0.331 5.071 4.740 -0.000 0.000 0.280 235 N C 0.962 176.450 175.510 -0.037 0.000 1.205 235 N CA 0.200 53.214 53.050 -0.061 0.000 0.959 235 N CB 1.532 39.988 38.487 -0.052 0.000 1.206 235 N HN 0.802 nan 8.380 nan 0.000 0.545 236 G N 0.259 109.051 108.800 -0.013 0.000 2.187 236 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.261 236 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.261 236 G C 0.147 175.079 174.900 0.053 0.000 1.000 236 G CA 0.357 45.473 45.100 0.028 0.000 0.718 236 G HN 0.457 nan 8.290 nan 0.000 0.519 237 V N 1.511 121.440 119.914 0.025 0.000 2.694 237 V HA 0.122 4.242 4.120 -0.000 0.000 0.306 237 V C 1.281 177.522 176.094 0.245 0.000 1.054 237 V CA -0.018 62.321 62.300 0.065 0.000 1.161 237 V CB 1.425 33.219 31.823 -0.048 0.000 0.916 237 V HN 0.398 nan 8.190 nan 0.000 0.490 238 L N 8.874 130.225 121.223 0.213 0.000 2.313 238 L HA 0.400 4.740 4.340 -0.000 0.000 0.282 238 L C -2.009 175.099 176.870 0.397 0.000 1.092 238 L CA -1.385 53.616 54.840 0.267 0.000 0.831 238 L CB 1.572 43.761 42.059 0.216 0.000 1.159 238 L HN 0.488 nan 8.230 nan 0.000 0.442 239 P HA 0.086 nan 4.420 nan 0.000 0.276 239 P C 0.180 177.611 177.300 0.219 0.000 1.243 239 P CA -0.338 62.880 63.100 0.197 0.000 0.768 239 P CB 0.980 32.507 31.700 -0.288 0.000 0.856 240 K N 2.650 123.244 120.400 0.323 0.000 2.144 240 K HA -0.179 4.141 4.320 -0.000 0.000 0.209 240 K C 1.225 177.685 176.600 -0.233 0.000 1.047 240 K CA 1.662 57.832 56.287 -0.195 0.000 0.927 240 K CB -0.419 32.007 32.500 -0.124 0.000 0.716 240 K HN 0.372 nan 8.250 nan 0.000 0.454 241 T N 0.618 115.102 114.554 -0.117 0.000 4.096 241 T HA -0.008 4.342 4.350 -0.000 0.000 0.241 241 T C 0.229 174.868 174.700 -0.101 0.000 0.869 241 T CA 0.361 62.389 62.100 -0.120 0.000 0.909 241 T CB -0.155 68.648 68.868 -0.108 0.000 1.260 241 T HN 0.280 nan 8.240 nan 0.000 0.692 242 E N -0.747 119.388 120.200 -0.108 0.000 2.410 242 E HA 0.185 4.534 4.350 -0.000 0.000 0.188 242 E C 1.506 178.065 176.600 -0.070 0.000 0.980 242 E CA 0.484 56.848 56.400 -0.060 0.000 1.513 242 E CB -0.482 29.214 29.700 -0.007 0.000 2.654 242 E HN 0.446 nan 8.360 nan 0.000 1.016 243 A N 1.187 123.916 122.820 -0.151 0.000 2.239 243 A HA 0.346 4.666 4.320 -0.000 0.000 0.209 243 A C 1.189 178.682 177.584 -0.151 0.000 1.171 243 A CA 0.908 52.848 52.037 -0.161 0.000 0.768 243 A CB -0.221 18.544 19.000 -0.393 0.000 0.790 243 A HN 0.104 nan 8.150 nan 0.000 0.478 244 A N -0.336 122.400 122.820 -0.141 0.000 2.328 244 A HA 0.516 4.836 4.320 -0.000 0.000 0.284 244 A C 0.747 178.292 177.584 -0.065 0.000 1.160 244 A CA 0.268 52.240 52.037 -0.109 0.000 0.818 244 A CB 0.042 18.976 19.000 -0.111 0.000 1.087 244 A HN 1.020 nan 8.150 nan 0.000 0.504 245 N N 0.690 119.359 118.700 -0.051 0.000 1.706 245 N HA -0.211 4.529 4.740 -0.000 0.000 0.212 245 N C -0.327 175.170 175.510 -0.020 0.000 0.793 245 N CA 1.851 54.882 53.050 -0.032 0.000 4.316 245 N CB -1.450 37.020 38.487 -0.028 0.000 0.686 245 N HN 0.741 nan 8.380 nan 0.000 0.238 246 D N -0.131 120.260 120.400 -0.016 0.000 2.280 246 D HA 0.335 4.975 4.640 -0.000 0.000 0.243 246 D C 1.454 177.757 176.300 0.006 0.000 1.129 246 D CA 0.654 54.653 54.000 -0.002 0.000 0.848 246 D CB 1.346 42.149 40.800 0.005 0.000 1.107 246 D HN 0.465 nan 8.370 nan 0.000 0.471 247 T N 1.755 116.315 114.554 0.011 0.000 2.833 247 T HA -0.218 4.132 4.350 -0.000 0.000 0.269 247 T C 1.816 176.538 174.700 0.036 0.000 1.054 247 T CA 0.634 62.747 62.100 0.020 0.000 1.135 247 T CB -0.160 68.720 68.868 0.020 0.000 0.869 247 T HN 0.337 nan 8.240 nan 0.000 0.466 248 L N 2.144 123.389 121.223 0.036 0.000 2.005 248 L HA 0.312 4.652 4.340 -0.000 0.000 0.207 248 L C 2.878 179.787 176.870 0.064 0.000 1.072 248 L CA 1.889 56.757 54.840 0.047 0.000 0.744 248 L CB -1.556 40.528 42.059 0.040 0.000 0.895 248 L HN 0.311 nan 8.230 nan 0.000 0.433 249 A N -0.222 122.634 122.820 0.061 0.000 1.948 249 A HA -0.182 4.138 4.320 -0.000 0.000 0.220 249 A C 2.457 180.117 177.584 0.127 0.000 1.177 249 A CA 2.231 54.319 52.037 0.085 0.000 0.636 249 A CB -1.287 17.747 19.000 0.056 0.000 0.815 249 A HN 0.648 nan 8.150 nan 0.000 0.449 250 A N -0.283 122.590 122.820 0.087 0.000 1.902 250 A HA 0.159 4.479 4.320 -0.000 0.000 0.217 250 A C 2.518 180.207 177.584 0.174 0.000 1.181 250 A CA 2.126 54.226 52.037 0.106 0.000 0.623 250 A CB -1.022 18.001 19.000 0.039 0.000 0.818 250 A HN 1.092 nan 8.150 nan 0.000 0.443 251 A N -0.018 122.876 122.820 0.123 0.000 1.877 251 A HA -0.087 4.233 4.320 -0.000 0.000 0.216 251 A C 2.138 179.799 177.584 0.128 0.000 1.186 251 A CA 1.558 53.662 52.037 0.112 0.000 0.620 251 A CB -0.614 18.431 19.000 0.075 0.000 0.822 251 A HN 0.496 nan 8.150 nan 0.000 0.443 252 I N -2.583 118.066 120.570 0.131 0.000 2.072 252 I HA -0.288 3.882 4.170 -0.000 0.000 0.235 252 I C 2.402 178.607 176.117 0.147 0.000 1.058 252 I CA 1.856 63.227 61.300 0.117 0.000 1.320 252 I CB -0.537 37.530 38.000 0.113 0.000 1.047 252 I HN 0.704 nan 8.210 nan 0.000 0.397 253 W N 2.075 123.394 121.300 0.032 0.000 2.276 253 W HA -0.341 4.319 4.660 0.000 0.000 0.307 253 W C 2.516 179.056 176.519 0.034 0.000 1.240 253 W CA 2.450 59.818 57.345 0.038 0.000 1.249 253 W CB -0.119 29.362 29.460 0.036 0.000 1.140 253 W HN 0.234 nan 8.180 nan 0.000 0.519 254 E N 0.127 120.499 120.200 0.287 0.000 2.028 254 E HA -0.277 4.073 4.350 -0.000 0.000 0.190 254 E C 2.339 178.878 176.600 -0.102 0.000 0.984 254 E CA 1.327 57.778 56.400 0.086 0.000 0.800 254 E CB -0.526 29.317 29.700 0.238 0.000 0.758 254 E HN 0.272 nan 8.360 nan 0.000 0.448 255 R N 0.494 120.981 120.500 -0.022 0.000 2.154 255 R HA -0.198 4.142 4.340 -0.000 0.000 0.248 255 R C 2.024 178.264 176.300 -0.099 0.000 1.155 255 R CA 2.125 58.201 56.100 -0.039 0.000 0.979 255 R CB 0.023 30.322 30.300 -0.001 0.000 0.869 255 R HN 0.324 nan 8.270 nan 0.000 0.452 256 E N -0.708 119.395 120.200 -0.161 0.000 2.060 256 E HA -0.162 4.188 4.350 -0.000 0.000 0.189 256 E C 2.069 178.501 176.600 -0.280 0.000 0.974 256 E CA 0.674 56.958 56.400 -0.194 0.000 0.808 256 E CB -0.031 29.556 29.700 -0.189 0.000 0.768 256 E HN 0.211 nan 8.360 nan 0.000 0.453 257 Q N 0.933 120.434 119.800 -0.498 0.000 2.234 257 Q HA -0.174 4.166 4.340 -0.000 0.000 0.206 257 Q C 1.868 177.703 176.000 -0.275 0.000 0.980 257 Q CA 1.098 56.589 55.803 -0.520 0.000 0.869 257 Q CB -0.035 28.118 28.738 -0.975 0.000 0.912 257 Q HN 0.197 nan 8.270 nan 0.000 0.436 258 E N -0.385 119.688 120.200 -0.212 0.000 2.001 258 E HA -0.169 4.181 4.350 -0.000 0.000 0.193 258 E C 1.767 178.311 176.600 -0.094 0.000 0.994 258 E CA 1.220 57.553 56.400 -0.112 0.000 0.815 258 E CB -0.227 29.429 29.700 -0.073 0.000 0.770 258 E HN 0.282 nan 8.360 nan 0.000 0.453 259 A N 2.781 125.547 122.820 -0.090 0.000 1.873 259 A HA -0.209 4.111 4.320 -0.000 0.000 0.218 259 A C 2.352 179.889 177.584 -0.078 0.000 1.193 259 A CA 1.890 53.884 52.037 -0.071 0.000 0.629 259 A CB -1.120 17.842 19.000 -0.064 0.000 0.826 259 A HN 0.476 nan 8.150 nan 0.000 0.447 260 L N -0.363 120.797 121.223 -0.105 0.000 2.064 260 L HA -0.249 4.091 4.340 -0.000 0.000 0.216 260 L C 2.444 179.267 176.870 -0.079 0.000 1.077 260 L CA 2.945 57.725 54.840 -0.100 0.000 0.766 260 L CB -1.293 40.685 42.059 -0.134 0.000 0.890 260 L HN 0.426 nan 8.230 nan 0.000 0.435 261 A N -0.521 122.250 122.820 -0.082 0.000 2.067 261 A HA -0.069 4.251 4.320 -0.000 0.000 0.217 261 A C 1.183 178.741 177.584 -0.043 0.000 1.156 261 A CA 0.930 52.933 52.037 -0.057 0.000 0.683 261 A CB -0.310 18.656 19.000 -0.056 0.000 0.808 261 A HN 0.628 nan 8.150 nan 0.000 0.455 262 N N 0.376 119.049 118.700 -0.044 0.000 2.538 262 N HA 0.277 5.017 4.740 -0.000 0.000 0.291 262 N C -0.639 174.851 175.510 -0.032 0.000 1.323 262 N CA -0.145 52.886 53.050 -0.032 0.000 0.934 262 N CB 0.192 38.663 38.487 -0.027 0.000 1.255 262 N HN 0.366 nan 8.380 nan 0.000 0.509 263 L N 2.009 123.209 121.223 -0.038 0.000 2.559 263 L HA 0.031 4.371 4.340 -0.000 0.000 0.282 263 L C -1.415 175.437 176.870 -0.030 0.000 1.232 263 L CA -0.799 54.017 54.840 -0.039 0.000 0.885 263 L CB -0.080 41.950 42.059 -0.047 0.000 1.131 263 L HN -0.020 nan 8.230 nan 0.000 0.498 264 P HA -0.058 nan 4.420 nan 0.000 0.266 264 P C 0.268 177.559 177.300 -0.016 0.000 1.193 264 P CA -0.001 63.091 63.100 -0.015 0.000 0.770 264 P CB 0.735 32.432 31.700 -0.006 0.000 0.836 265 A N 3.844 126.659 122.820 -0.008 0.000 1.896 265 A HA -0.291 4.029 4.320 -0.000 0.000 0.220 265 A C 1.761 179.342 177.584 -0.004 0.000 1.206 265 A CA 2.488 54.521 52.037 -0.007 0.000 0.647 265 A CB -1.387 17.613 19.000 -0.000 0.000 0.828 265 A HN 0.546 nan 8.150 nan 0.000 0.455 266 D N 0.065 120.475 120.400 0.017 0.000 2.133 266 D HA -0.160 4.480 4.640 -0.000 0.000 0.195 266 D C 1.765 178.046 176.300 -0.031 0.000 0.997 266 D CA 1.381 55.412 54.000 0.053 0.000 0.840 266 D CB -0.508 40.373 40.800 0.134 0.000 0.947 266 D HN 0.531 nan 8.370 nan 0.000 0.452 267 L N 0.290 121.465 121.223 -0.080 0.000 2.395 267 L HA 0.066 4.406 4.340 -0.000 0.000 0.218 267 L C 2.433 179.222 176.870 -0.135 0.000 1.130 267 L CA 0.352 55.090 54.840 -0.170 0.000 0.826 267 L CB -0.381 41.605 42.059 -0.122 0.000 0.941 267 L HN -0.038 nan 8.230 nan 0.000 0.451 268 A N 1.011 123.782 122.820 -0.083 0.000 1.873 268 A HA -0.179 4.141 4.320 -0.000 0.000 0.218 268 A C 2.309 179.847 177.584 -0.077 0.000 1.193 268 A CA 1.922 53.919 52.037 -0.066 0.000 0.629 268 A CB -1.229 17.745 19.000 -0.042 0.000 0.826 268 A HN 0.421 nan 8.150 nan 0.000 0.447 269 G N -1.451 107.304 108.800 -0.076 0.000 2.776 269 G HA2 0.274 4.234 3.960 -0.000 0.000 0.209 269 G HA3 0.274 4.234 3.960 -0.000 0.000 0.209 269 G C 0.327 175.155 174.900 -0.120 0.000 1.145 269 G CA -0.014 45.040 45.100 -0.076 0.000 0.791 269 G HN 0.288 nan 8.290 nan 0.000 0.530 270 L N 1.899 123.022 121.223 -0.167 0.000 2.349 270 L HA 0.344 4.684 4.340 -0.000 0.000 0.275 270 L C -1.737 175.013 176.870 -0.200 0.000 1.115 270 L CA -2.756 51.950 54.840 -0.223 0.000 0.820 270 L CB 1.176 43.068 42.059 -0.278 0.000 1.135 270 L HN -0.068 nan 8.230 nan 0.000 0.445 271 P HA 0.121 nan 4.420 nan 0.000 0.267 271 P C -0.926 176.315 177.300 -0.098 0.000 1.205 271 P CA -0.110 62.858 63.100 -0.221 0.000 0.765 271 P CB 0.472 31.899 31.700 -0.455 0.000 0.828 272 T N 2.526 117.069 114.554 -0.018 0.000 2.893 272 T HA 0.440 4.790 4.350 -0.000 0.000 0.293 272 T C -0.815 173.920 174.700 0.058 0.000 1.027 272 T CA -0.551 61.556 62.100 0.013 0.000 0.988 272 T CB 1.709 70.558 68.868 -0.031 0.000 1.043 272 T HN 0.338 nan 8.240 nan 0.000 0.461 273 D N 1.505 121.948 120.400 0.072 0.000 2.581 273 D HA 0.590 5.230 4.640 -0.000 0.000 0.232 273 D C -0.543 175.756 176.300 -0.002 0.000 1.143 273 D CA -0.406 53.642 54.000 0.080 0.000 0.881 273 D CB 2.423 43.358 40.800 0.226 0.000 1.500 273 D HN 0.658 nan 8.370 nan 0.000 0.458 274 T N -1.359 113.155 114.554 -0.067 0.000 2.876 274 T HA 0.733 5.083 4.350 -0.000 0.000 0.289 274 T C -0.545 173.996 174.700 -0.264 0.000 1.014 274 T CA -0.762 61.238 62.100 -0.167 0.000 0.986 274 T CB 1.006 69.741 68.868 -0.222 0.000 1.021 274 T HN 0.227 nan 8.240 nan 0.000 0.458 275 L N 2.074 123.146 121.223 -0.252 0.000 2.333 275 L HA 0.666 5.006 4.340 -0.000 0.000 0.269 275 L C -0.666 176.017 176.870 -0.312 0.000 1.010 275 L CA -1.238 53.462 54.840 -0.232 0.000 0.818 275 L CB 1.533 43.556 42.059 -0.059 0.000 1.306 275 L HN 0.579 nan 8.230 nan 0.000 0.430 276 F N 1.263 121.241 119.950 0.046 0.000 2.385 276 F HA 0.303 4.830 4.527 0.000 0.000 0.336 276 F C 0.294 176.114 175.800 0.034 0.000 1.100 276 F CA -0.635 57.391 58.000 0.043 0.000 1.116 276 F CB 1.159 40.188 39.000 0.048 0.000 1.166 276 F HN 0.182 nan 8.300 nan 0.000 0.511 277 L N 4.431 125.825 121.223 0.285 0.000 2.584 277 L HA 0.059 4.399 4.340 -0.000 0.000 0.272 277 L C -0.149 176.804 176.870 0.138 0.000 1.195 277 L CA 0.304 55.240 54.840 0.160 0.000 0.920 277 L CB -0.133 42.011 42.059 0.141 0.000 1.173 277 L HN 0.444 nan 8.230 nan 0.000 0.489 278 Q N 6.274 126.129 119.800 0.093 0.000 2.222 278 Q HA 0.313 4.653 4.340 -0.000 0.000 0.252 278 Q C -1.773 174.254 176.000 0.045 0.000 0.926 278 Q CA -1.763 54.080 55.803 0.068 0.000 0.899 278 Q CB 1.014 29.783 28.738 0.052 0.000 1.250 278 Q HN 0.478 nan 8.270 nan 0.000 0.441 279 P HA -0.118 nan 4.420 nan 0.000 0.213 279 P C 0.106 177.416 177.300 0.017 0.000 1.170 279 P CA 0.963 64.075 63.100 0.021 0.000 0.898 279 P CB 0.313 32.021 31.700 0.013 0.000 0.787 280 V N 0.281 120.202 119.914 0.012 0.000 2.667 280 V HA 0.226 4.346 4.120 -0.000 0.000 0.308 280 V C 0.073 176.168 176.094 0.002 0.000 1.048 280 V CA -0.948 61.355 62.300 0.005 0.000 0.928 280 V CB 1.423 33.245 31.823 -0.000 0.000 1.004 280 V HN -0.038 nan 8.190 nan 0.000 0.444 281 N N 3.610 122.310 118.700 -0.000 0.000 2.438 281 N HA 0.195 4.935 4.740 -0.000 0.000 0.267 281 N C -0.033 175.465 175.510 -0.019 0.000 1.222 281 N CA -0.185 52.862 53.050 -0.006 0.000 0.930 281 N CB 0.566 39.051 38.487 -0.004 0.000 1.083 281 N HN 0.537 nan 8.380 nan 0.000 0.476 282 M N 0.986 120.569 119.600 -0.028 0.000 2.216 282 M HA -0.121 4.359 4.480 -0.000 0.000 0.317 282 M C 1.327 177.586 176.300 -0.067 0.000 1.015 282 M CA 0.854 56.124 55.300 -0.050 0.000 1.045 282 M CB 0.164 32.726 32.600 -0.063 0.000 1.538 282 M HN 0.354 nan 8.290 nan 0.000 0.440 283 V N -0.040 119.821 119.914 -0.088 0.000 4.172 283 V HA 0.532 4.652 4.120 -0.000 0.000 0.403 283 V C -0.193 175.823 176.094 -0.130 0.000 1.715 283 V CA 0.750 62.991 62.300 -0.098 0.000 1.685 283 V CB 0.095 31.883 31.823 -0.058 0.000 1.046 283 V HN 1.024 nan 8.190 nan 0.000 0.469 284 G N -1.068 107.640 108.800 -0.154 0.000 2.623 284 G HA2 0.464 4.424 3.960 -0.000 0.000 0.290 284 G HA3 0.464 4.424 3.960 -0.000 0.000 0.290 284 G C 0.175 174.968 174.900 -0.178 0.000 1.437 284 G CA 0.299 45.300 45.100 -0.165 0.000 0.798 284 G HN 0.059 nan 8.290 nan 0.000 0.488 285 V N 0.529 120.353 119.914 -0.149 0.000 2.282 285 V HA -0.211 3.909 4.120 -0.000 0.000 0.249 285 V C 3.034 179.102 176.094 -0.042 0.000 1.057 285 V CA 2.976 65.229 62.300 -0.079 0.000 1.032 285 V CB -0.555 31.278 31.823 0.016 0.000 0.645 285 V HN 0.798 nan 8.190 nan 0.000 0.447 286 S N -0.337 115.345 115.700 -0.031 0.000 2.365 286 S HA -0.275 4.195 4.470 -0.000 0.000 0.221 286 S C 2.160 176.748 174.600 -0.019 0.000 1.037 286 S CA 2.066 60.256 58.200 -0.016 0.000 1.060 286 S CB -0.516 62.676 63.200 -0.013 0.000 0.974 286 S HN 0.655 nan 8.310 nan 0.000 0.427 287 A N 1.324 124.124 122.820 -0.033 0.000 1.908 287 A HA -0.014 4.306 4.320 -0.000 0.000 0.218 287 A C 2.282 179.849 177.584 -0.029 0.000 1.181 287 A CA 1.702 53.722 52.037 -0.028 0.000 0.627 287 A CB -0.940 18.037 19.000 -0.038 0.000 0.818 287 A HN 0.591 nan 8.150 nan 0.000 0.445 288 L N -0.248 120.941 121.223 -0.057 0.000 1.989 288 L HA -0.219 4.121 4.340 -0.000 0.000 0.211 288 L C 2.907 179.771 176.870 -0.010 0.000 1.071 288 L CA 1.685 56.494 54.840 -0.052 0.000 0.749 288 L CB -0.663 41.333 42.059 -0.104 0.000 0.890 288 L HN 0.359 nan 8.230 nan 0.000 0.431 289 S N -0.599 115.100 115.700 -0.002 0.000 2.374 289 S HA -0.255 4.215 4.470 -0.000 0.000 0.227 289 S C 2.000 176.617 174.600 0.028 0.000 1.037 289 S CA 1.331 59.542 58.200 0.018 0.000 1.024 289 S CB -0.400 62.811 63.200 0.018 0.000 0.861 289 S HN 0.310 nan 8.310 nan 0.000 0.456 290 R N 0.848 121.363 120.500 0.025 0.000 2.112 290 R HA -0.104 4.236 4.340 -0.000 0.000 0.242 290 R C 2.312 178.649 176.300 0.062 0.000 1.137 290 R CA 1.567 57.691 56.100 0.039 0.000 0.944 290 R CB -0.719 29.599 30.300 0.032 0.000 0.857 290 R HN 0.370 nan 8.270 nan 0.000 0.435 291 L N 0.722 121.979 121.223 0.056 0.000 2.151 291 L HA -0.243 4.096 4.340 -0.000 0.000 0.219 291 L C 1.090 178.016 176.870 0.093 0.000 1.083 291 L CA 1.241 56.124 54.840 0.072 0.000 0.782 291 L CB -0.150 41.935 42.059 0.045 0.000 0.891 291 L HN 0.297 nan 8.230 nan 0.000 0.439 292 L N -0.399 120.875 121.223 0.086 0.000 2.672 292 L HA 0.094 4.434 4.340 -0.000 0.000 0.236 292 L C 1.353 178.274 176.870 0.084 0.000 1.186 292 L CA 0.457 55.354 54.840 0.095 0.000 0.977 292 L CB -1.946 40.153 42.059 0.066 0.000 1.203 292 L HN 0.325 nan 8.230 nan 0.000 0.448 293 S N -0.354 115.412 115.700 0.109 0.000 2.647 293 S HA 0.328 4.798 4.470 -0.000 0.000 0.284 293 S C 1.045 175.755 174.600 0.183 0.000 1.134 293 S CA 0.316 58.589 58.200 0.122 0.000 1.027 293 S CB 1.353 64.622 63.200 0.115 0.000 1.180 293 S HN 0.312 nan 8.310 nan 0.000 0.521 294 T N -2.040 112.636 114.554 0.204 0.000 3.266 294 T HA 0.524 4.874 4.350 -0.000 0.000 0.278 294 T C 0.010 174.928 174.700 0.364 0.000 1.010 294 T CA -0.263 62.014 62.100 0.295 0.000 0.909 294 T CB -0.770 68.207 68.868 0.180 0.000 1.122 294 T HN 0.843 nan 8.240 nan 0.000 0.536 310 P HA -0.032 nan 4.420 nan 0.000 0.266 310 P C -0.365 176.935 177.300 0.001 0.000 1.186 310 P CA 0.075 63.176 63.100 0.003 0.000 0.767 310 P CB 0.673 32.376 31.700 0.006 0.000 0.820 311 D N 1.836 122.233 120.400 -0.005 0.000 2.994 311 D HA 0.160 4.800 4.640 -0.000 0.000 0.240 311 D C -0.372 175.924 176.300 -0.007 0.000 1.195 311 D CA -0.124 53.872 54.000 -0.007 0.000 0.957 311 D CB -0.727 40.065 40.800 -0.014 0.000 1.105 311 D HN 0.150 nan 8.370 nan 0.000 0.477 312 I N 2.212 122.782 120.570 -0.000 0.000 2.436 312 I HA 0.332 4.502 4.170 -0.000 0.000 0.289 312 I C -1.955 174.169 176.117 0.011 0.000 1.010 312 I CA -2.208 59.094 61.300 0.004 0.000 1.098 312 I CB 1.463 39.470 38.000 0.011 0.000 1.266 312 I HN 0.033 nan 8.210 nan 0.000 0.434 313 P HA 0.101 nan 4.420 nan 0.000 0.270 313 P C 0.035 177.352 177.300 0.028 0.000 1.223 313 P CA -0.156 62.962 63.100 0.029 0.000 0.785 313 P CB 0.493 32.224 31.700 0.052 0.000 0.923 314 S N 1.294 117.007 115.700 0.021 0.000 2.608 314 S HA 0.079 4.549 4.470 -0.000 0.000 0.261 314 S C 1.188 175.810 174.600 0.037 0.000 1.314 314 S CA -0.658 57.551 58.200 0.015 0.000 0.992 314 S CB 0.061 63.249 63.200 -0.021 0.000 0.935 314 S HN 0.493 nan 8.310 nan 0.000 0.564 315 L N 1.129 122.372 121.223 0.035 0.000 2.131 315 L HA -0.068 4.272 4.340 -0.000 0.000 0.210 315 L C 2.472 179.362 176.870 0.033 0.000 1.092 315 L CA 1.880 56.744 54.840 0.041 0.000 0.759 315 L CB -1.085 40.994 42.059 0.033 0.000 0.903 315 L HN 0.974 nan 8.230 nan 0.000 0.435 316 S N -0.332 115.386 115.700 0.030 0.000 2.400 316 S HA -0.164 4.306 4.470 -0.000 0.000 0.232 316 S C 2.055 176.646 174.600 -0.014 0.000 1.025 316 S CA 1.260 59.475 58.200 0.025 0.000 0.993 316 S CB -0.064 63.174 63.200 0.064 0.000 0.808 316 S HN 0.650 nan 8.310 nan 0.000 0.478 317 A N 0.993 123.835 122.820 0.037 0.000 1.930 317 A HA 0.091 4.411 4.320 -0.000 0.000 0.217 317 A C 2.167 179.747 177.584 -0.007 0.000 1.175 317 A CA 0.966 53.018 52.037 0.024 0.000 0.627 317 A CB -0.612 18.492 19.000 0.174 0.000 0.815 317 A HN 0.539 nan 8.150 nan 0.000 0.443 318 L N -0.319 120.939 121.223 0.059 0.000 2.056 318 L HA -0.142 4.198 4.340 -0.000 0.000 0.207 318 L C 2.518 179.470 176.870 0.136 0.000 1.078 318 L CA 1.304 56.237 54.840 0.154 0.000 0.749 318 L CB -0.354 41.812 42.059 0.178 0.000 0.901 318 L HN 0.279 nan 8.230 nan 0.000 0.433 319 V N -0.243 119.684 119.914 0.022 0.000 2.407 319 V HA -0.319 3.801 4.120 -0.000 0.000 0.248 319 V C 2.061 178.098 176.094 -0.095 0.000 1.055 319 V CA 2.083 64.350 62.300 -0.056 0.000 1.049 319 V CB -0.506 31.274 31.823 -0.071 0.000 0.662 319 V HN 0.508 nan 8.190 nan 0.000 0.455 320 D N 0.045 120.354 120.400 -0.152 0.000 2.117 320 D HA -0.197 4.443 4.640 -0.000 0.000 0.197 320 D C 1.718 177.972 176.300 -0.077 0.000 0.987 320 D CA 1.319 55.194 54.000 -0.208 0.000 0.829 320 D CB -0.028 40.370 40.800 -0.670 0.000 0.961 320 D HN 0.386 nan 8.370 nan 0.000 0.460 321 D N -0.409 119.997 120.400 0.010 0.000 2.277 321 D HA -0.022 4.618 4.640 -0.000 0.000 0.208 321 D C 1.994 178.341 176.300 0.078 0.000 0.962 321 D CA 0.324 54.412 54.000 0.148 0.000 0.865 321 D CB 0.102 41.099 40.800 0.327 0.000 0.939 321 D HN 0.402 nan 8.370 nan 0.000 0.510 322 I N 0.893 121.435 120.570 -0.047 0.000 2.500 322 I HA -0.122 4.048 4.170 -0.000 0.000 0.252 322 I C 2.325 178.350 176.117 -0.155 0.000 1.142 322 I CA 0.359 61.500 61.300 -0.265 0.000 1.451 322 I CB 0.073 37.889 38.000 -0.307 0.000 1.093 322 I HN -0.110 nan 8.210 nan 0.000 0.430 323 A N 0.706 123.438 122.820 -0.147 0.000 2.015 323 A HA -0.163 4.157 4.320 -0.000 0.000 0.219 323 A C 2.279 179.818 177.584 -0.075 0.000 1.163 323 A CA 0.967 52.920 52.037 -0.141 0.000 0.646 323 A CB -0.451 18.524 19.000 -0.041 0.000 0.806 323 A HN 0.275 nan 8.150 nan 0.000 0.448 324 R N -0.093 120.392 120.500 -0.026 0.000 2.136 324 R HA -0.229 4.111 4.340 -0.000 0.000 0.242 324 R C 1.864 178.128 176.300 -0.061 0.000 1.131 324 R CA 2.160 58.259 56.100 -0.002 0.000 0.937 324 R CB -0.584 29.735 30.300 0.031 0.000 0.863 324 R HN 0.708 nan 8.270 nan 0.000 0.435 325 N N 0.013 118.622 118.700 -0.151 0.000 2.381 325 N HA -0.129 4.611 4.740 -0.000 0.000 0.182 325 N C -0.267 175.045 175.510 -0.332 0.000 1.025 325 N CA 0.589 53.476 53.050 -0.272 0.000 0.888 325 N CB 0.176 38.367 38.487 -0.494 0.000 0.965 325 N HN 0.255 nan 8.380 nan 0.000 0.438 326 E N -0.731 119.244 120.200 -0.376 0.000 3.413 326 E HA -0.218 4.132 4.350 -0.000 0.000 0.300 326 E C -0.576 175.486 176.600 -0.897 0.000 0.891 326 E CA 0.696 56.748 56.400 -0.581 0.000 1.050 326 E CB -1.886 27.720 29.700 -0.157 0.000 1.534 326 E HN 0.721 nan 8.360 nan 0.000 0.436 327 H N -2.639 115.581 119.070 -1.417 0.000 2.984 327 H HA 0.585 5.141 4.556 -0.000 0.000 0.298 327 H C -0.329 174.383 175.328 -1.027 0.000 1.378 327 H CA -0.389 54.769 56.048 -1.482 0.000 1.241 327 H CB 1.382 30.755 29.762 -0.648 0.000 1.894 327 H HN 0.443 nan 8.280 nan 0.000 0.511 328 G N 0.612 109.061 108.800 -0.585 0.000 2.352 328 G HA2 0.317 4.277 3.960 -0.000 0.000 0.305 328 G HA3 0.317 4.277 3.960 -0.000 0.000 0.305 328 G C -2.217 172.662 174.900 -0.035 0.000 1.537 328 G CA -0.636 44.330 45.100 -0.223 0.000 0.959 328 G HN 0.619 nan 8.290 nan 0.000 0.668 329 L N 1.755 122.960 121.223 -0.030 0.000 2.260 329 L HA 0.676 5.016 4.340 -0.000 0.000 0.289 329 L C -0.172 176.692 176.870 -0.010 0.000 1.057 329 L CA -0.923 53.912 54.840 -0.008 0.000 0.811 329 L CB 0.593 42.649 42.059 -0.005 0.000 1.184 329 L HN 0.415 nan 8.230 nan 0.000 0.429 330 I N 6.821 127.391 120.570 -0.000 0.000 2.306 330 I HA 0.291 4.461 4.170 -0.000 0.000 0.288 330 I C -0.206 175.903 176.117 -0.013 0.000 1.036 330 I CA -0.169 61.118 61.300 -0.021 0.000 1.221 330 I CB 0.747 38.724 38.000 -0.038 0.000 1.385 330 I HN 0.663 nan 8.210 nan 0.000 0.472 331 M N 7.020 126.629 119.600 0.014 0.000 2.101 331 M HA 0.398 4.877 4.480 -0.000 0.000 0.340 331 M C -0.720 175.600 176.300 0.032 0.000 1.057 331 M CA -0.782 54.541 55.300 0.038 0.000 0.984 331 M CB 1.708 34.351 32.600 0.072 0.000 1.560 331 M HN 0.254 nan 8.290 nan 0.000 0.435 332 L N 4.854 126.092 121.223 0.026 0.000 2.265 332 L HA 0.508 4.848 4.340 -0.000 0.000 0.288 332 L C -0.212 176.654 176.870 -0.006 0.000 1.058 332 L CA 0.568 55.412 54.840 0.006 0.000 0.809 332 L CB 0.715 42.775 42.059 0.001 0.000 1.179 332 L HN 0.707 nan 8.230 nan 0.000 0.429 333 M N 1.931 121.500 119.600 -0.051 0.000 2.761 333 M HA 0.894 5.373 4.480 -0.000 0.000 0.305 333 M C 0.205 176.423 176.300 -0.137 0.000 1.235 333 M CA -0.709 54.542 55.300 -0.082 0.000 0.850 333 M CB 2.446 34.992 32.600 -0.090 0.000 1.744 333 M HN 0.654 nan 8.290 nan 0.000 0.480 334 G N 0.476 109.196 108.800 -0.133 0.000 2.356 334 G HA2 0.133 4.093 3.960 -0.000 0.000 0.300 334 G HA3 0.133 4.093 3.960 -0.000 0.000 0.300 334 G C -1.729 173.108 174.900 -0.106 0.000 1.331 334 G CA -0.986 44.022 45.100 -0.154 0.000 0.905 334 G HN 0.458 nan 8.290 nan 0.000 0.587 335 K N -0.309 120.032 120.400 -0.097 0.000 2.136 335 K HA 0.536 4.856 4.320 -0.000 0.000 0.237 335 K C 1.070 177.639 176.600 -0.051 0.000 1.048 335 K CA 0.236 56.483 56.287 -0.067 0.000 0.880 335 K CB 0.160 32.627 32.500 -0.055 0.000 1.105 335 K HN 0.986 nan 8.250 nan 0.000 0.507 336 G N -1.153 107.624 108.800 -0.038 0.000 2.406 336 G HA2 0.367 4.327 3.960 -0.000 0.000 0.251 336 G HA3 0.367 4.327 3.960 -0.000 0.000 0.251 336 G C 0.865 175.752 174.900 -0.023 0.000 1.271 336 G CA 0.265 45.348 45.100 -0.029 0.000 0.859 336 G HN 0.643 nan 8.290 nan 0.000 0.540 337 G N 0.073 108.861 108.800 -0.019 0.000 2.212 337 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.266 337 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.266 337 G C 1.409 176.301 174.900 -0.013 0.000 0.978 337 G CA 1.079 46.171 45.100 -0.013 0.000 0.632 337 G HN 1.982 nan 8.290 nan 0.000 0.537 338 V N -1.474 118.427 119.914 -0.022 0.000 3.241 338 V HA 0.440 4.560 4.120 -0.000 0.000 0.269 338 V C 1.906 177.991 176.094 -0.016 0.000 1.151 338 V CA 1.590 63.877 62.300 -0.022 0.000 1.158 338 V CB -0.692 31.106 31.823 -0.041 0.000 0.764 338 V HN 2.359 nan 8.190 nan 0.000 0.508 339 G N 0.010 108.801 108.800 -0.014 0.000 2.145 339 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.176 339 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.176 339 G C 0.504 175.398 174.900 -0.009 0.000 1.013 339 G CA 0.310 45.406 45.100 -0.007 0.000 0.689 339 G HN 0.492 nan 8.290 nan 0.000 0.506 340 K N -0.447 119.944 120.400 -0.014 0.000 2.020 340 K HA -0.109 4.211 4.320 -0.000 0.000 0.212 340 K C 2.584 179.184 176.600 -0.000 0.000 1.050 340 K CA 2.023 58.303 56.287 -0.012 0.000 0.929 340 K CB -0.330 32.163 32.500 -0.012 0.000 0.714 340 K HN 0.325 nan 8.250 nan 0.000 0.443 341 T N 0.715 115.272 114.554 0.006 0.000 2.759 341 T HA -0.124 4.226 4.350 -0.000 0.000 0.269 341 T C 1.892 176.594 174.700 0.003 0.000 1.042 341 T CA 1.772 63.878 62.100 0.011 0.000 1.140 341 T CB -0.304 68.575 68.868 0.018 0.000 0.864 341 T HN 0.310 nan 8.240 nan 0.000 0.455 342 T N 2.199 116.753 114.554 0.000 0.000 2.812 342 T HA 0.016 4.366 4.350 -0.000 0.000 0.264 342 T C 2.038 176.734 174.700 -0.007 0.000 1.042 342 T CA 0.830 62.928 62.100 -0.003 0.000 1.140 342 T CB -0.191 68.677 68.868 -0.000 0.000 0.870 342 T HN 0.190 nan 8.240 nan 0.000 0.445 343 M N 1.309 120.906 119.600 -0.004 0.000 2.175 343 M HA 0.103 4.583 4.480 -0.000 0.000 0.264 343 M C 2.772 179.064 176.300 -0.012 0.000 1.063 343 M CA 1.097 56.395 55.300 -0.004 0.000 1.119 343 M CB -1.500 31.101 32.600 0.001 0.000 1.377 343 M HN 0.300 nan 8.290 nan 0.000 0.415 344 A N -0.003 122.809 122.820 -0.013 0.000 1.972 344 A HA 0.070 4.389 4.320 -0.000 0.000 0.219 344 A C 2.394 179.958 177.584 -0.032 0.000 1.169 344 A CA 1.858 53.880 52.037 -0.024 0.000 0.635 344 A CB -0.668 18.321 19.000 -0.019 0.000 0.810 344 A HN 0.473 nan 8.150 nan 0.000 0.446 345 A N -0.389 122.415 122.820 -0.026 0.000 1.935 345 A HA 0.355 4.675 4.320 -0.000 0.000 0.214 345 A C 2.449 180.009 177.584 -0.040 0.000 1.178 345 A CA 1.487 53.505 52.037 -0.032 0.000 0.640 345 A CB -0.846 18.136 19.000 -0.029 0.000 0.825 345 A HN 0.898 nan 8.150 nan 0.000 0.447 346 A N 0.297 123.098 122.820 -0.033 0.000 1.877 346 A HA -0.091 4.229 4.320 -0.000 0.000 0.216 346 A C 2.096 179.655 177.584 -0.041 0.000 1.186 346 A CA 1.574 53.591 52.037 -0.032 0.000 0.620 346 A CB -0.642 18.348 19.000 -0.018 0.000 0.822 346 A HN 0.469 nan 8.150 nan 0.000 0.443 347 I N -0.212 120.330 120.570 -0.046 0.000 2.179 347 I HA -0.288 3.882 4.170 -0.000 0.000 0.242 347 I C 2.985 179.042 176.117 -0.100 0.000 1.088 347 I CA 1.146 62.403 61.300 -0.073 0.000 1.357 347 I CB -0.342 37.614 38.000 -0.074 0.000 1.051 347 I HN 0.354 nan 8.210 nan 0.000 0.409 348 A N 0.259 123.030 122.820 -0.082 0.000 1.902 348 A HA -0.154 4.166 4.320 -0.000 0.000 0.217 348 A C 2.441 179.991 177.584 -0.056 0.000 1.181 348 A CA 1.765 53.758 52.037 -0.074 0.000 0.623 348 A CB -0.973 18.001 19.000 -0.043 0.000 0.818 348 A HN 0.247 nan 8.150 nan 0.000 0.443 349 V N 0.033 119.917 119.914 -0.050 0.000 2.343 349 V HA -0.235 3.885 4.120 -0.000 0.000 0.247 349 V C 2.701 178.771 176.094 -0.040 0.000 1.051 349 V CA 2.379 64.653 62.300 -0.044 0.000 1.036 349 V CB -0.777 31.014 31.823 -0.054 0.000 0.654 349 V HN 0.649 nan 8.190 nan 0.000 0.451 350 R N 0.135 120.607 120.500 -0.047 0.000 2.073 350 R HA -0.112 4.228 4.340 -0.000 0.000 0.234 350 R C 1.943 178.221 176.300 -0.038 0.000 1.134 350 R CA 1.702 57.778 56.100 -0.040 0.000 0.952 350 R CB -0.990 29.285 30.300 -0.042 0.000 0.850 350 R HN 0.321 nan 8.270 nan 0.000 0.433 351 L N 0.391 121.565 121.223 -0.081 0.000 2.042 351 L HA -0.032 4.308 4.340 -0.000 0.000 0.210 351 L C 2.307 179.213 176.870 0.059 0.000 1.076 351 L CA 2.217 57.010 54.840 -0.078 0.000 0.749 351 L CB -1.290 40.567 42.059 -0.337 0.000 0.893 351 L HN 0.356 nan 8.230 nan 0.000 0.432 352 A N -1.102 121.728 122.820 0.016 0.000 1.898 352 A HA -0.186 4.134 4.320 -0.000 0.000 0.216 352 A C 1.921 179.498 177.584 -0.012 0.000 1.181 352 A CA 1.697 53.751 52.037 0.028 0.000 0.620 352 A CB -0.589 18.420 19.000 0.015 0.000 0.819 352 A HN 0.393 nan 8.150 nan 0.000 0.442 353 D N -0.811 119.576 120.400 -0.021 0.000 2.371 353 D HA -0.007 4.633 4.640 -0.000 0.000 0.221 353 D C 1.504 177.769 176.300 -0.058 0.000 0.986 353 D CA 0.720 54.698 54.000 -0.037 0.000 0.899 353 D CB -0.150 40.634 40.800 -0.028 0.000 0.902 353 D HN 0.467 nan 8.370 nan 0.000 0.530 354 M N -1.261 118.306 119.600 -0.054 0.000 2.495 354 M HA 0.145 4.625 4.480 -0.000 0.000 0.237 354 M C 1.071 177.149 176.300 -0.370 0.000 1.131 354 M CA 0.343 55.581 55.300 -0.102 0.000 1.032 354 M CB 0.815 33.457 32.600 0.069 0.000 1.513 354 M HN 0.114 nan 8.290 nan 0.000 0.488 355 G N 0.276 108.881 108.800 -0.325 0.000 2.179 355 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.220 355 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.220 355 G C -0.183 174.429 174.900 -0.480 0.000 0.990 355 G CA -0.614 44.231 45.100 -0.426 0.000 0.646 355 G HN 0.346 nan 8.290 nan 0.000 0.517 356 F N 1.482 121.471 119.950 0.066 0.000 2.425 356 F HA 0.569 5.096 4.527 -0.000 0.000 0.331 356 F C 0.356 176.228 175.800 0.121 0.000 1.085 356 F CA -1.376 56.706 58.000 0.137 0.000 1.028 356 F CB 0.819 40.005 39.000 0.310 0.000 1.177 356 F HN -0.166 nan 8.300 nan 0.000 0.487 357 D N 1.911 122.495 120.400 0.307 0.000 2.401 357 D HA 0.325 4.965 4.640 -0.000 0.000 0.254 357 D C -0.486 175.962 176.300 0.248 0.000 1.192 357 D CA 0.350 54.464 54.000 0.190 0.000 0.885 357 D CB 0.953 41.828 40.800 0.125 0.000 1.147 357 D HN 0.099 nan 8.370 nan 0.000 0.478 358 V N 2.772 122.794 119.914 0.180 0.000 2.656 358 V HA 0.266 4.386 4.120 -0.000 0.000 0.307 358 V C -0.301 175.890 176.094 0.162 0.000 1.051 358 V CA -0.894 61.517 62.300 0.186 0.000 0.893 358 V CB 2.035 33.927 31.823 0.114 0.000 0.999 358 V HN 0.550 nan 8.190 nan 0.000 0.426 359 H N 4.352 123.445 119.070 0.039 0.000 2.718 359 H HA 0.574 5.130 4.556 -0.000 0.000 0.295 359 H C -1.062 174.236 175.328 -0.051 0.000 1.051 359 H CA -0.898 55.143 56.048 -0.011 0.000 1.260 359 H CB 1.431 31.180 29.762 -0.022 0.000 1.403 359 H HN 0.591 nan 8.280 nan 0.000 0.488 360 L N 5.306 126.621 121.223 0.153 0.000 2.350 360 L HA 0.319 4.659 4.340 -0.000 0.000 0.275 360 L C -0.288 176.516 176.870 -0.110 0.000 1.099 360 L CA 0.023 54.849 54.840 -0.022 0.000 0.808 360 L CB 1.338 43.400 42.059 0.004 0.000 1.149 360 L HN 0.706 nan 8.230 nan 0.000 0.442 361 T N 1.033 115.406 114.554 -0.301 0.000 2.840 361 T HA 0.592 4.942 4.350 -0.000 0.000 0.287 361 T C -0.207 174.343 174.700 -0.250 0.000 0.991 361 T CA -0.538 61.315 62.100 -0.411 0.000 0.964 361 T CB 1.266 69.554 68.868 -0.966 0.000 0.954 361 T HN 0.781 nan 8.240 nan 0.000 0.438 362 T N 0.783 115.332 114.554 -0.008 0.000 2.926 362 T HA 0.650 5.000 4.350 -0.000 0.000 0.289 362 T C 0.397 175.232 174.700 0.225 0.000 1.054 362 T CA -0.342 61.828 62.100 0.117 0.000 1.015 362 T CB 1.422 70.328 68.868 0.063 0.000 1.167 362 T HN 0.923 nan 8.240 nan 0.000 0.526 363 S N 1.377 117.179 115.700 0.170 0.000 2.809 363 S HA 0.448 4.918 4.470 -0.000 0.000 0.248 363 S C -0.700 173.902 174.600 0.004 0.000 1.071 363 S CA -0.676 57.568 58.200 0.073 0.000 1.059 363 S CB -0.257 62.945 63.200 0.002 0.000 0.923 363 S HN 0.798 nan 8.310 nan 0.000 0.516 364 D N 0.998 121.412 120.400 0.024 0.000 2.787 364 D HA 0.309 4.949 4.640 -0.000 0.000 0.215 364 D C -3.218 173.097 176.300 0.025 0.000 1.246 364 D CA -0.862 53.143 54.000 0.007 0.000 0.798 364 D CB 1.745 42.549 40.800 0.006 0.000 1.649 364 D HN -0.023 nan 8.370 nan 0.000 0.507 365 P HA 0.330 nan 4.420 nan 0.000 0.265 365 P C -0.762 176.560 177.300 0.038 0.000 1.222 365 P CA -0.123 62.996 63.100 0.032 0.000 0.767 365 P CB 1.458 33.175 31.700 0.029 0.000 0.801 366 A N 3.815 126.664 122.820 0.049 0.000 2.336 366 A HA 0.859 5.179 4.320 -0.000 0.000 0.212 366 A C 0.227 177.869 177.584 0.097 0.000 2.317 366 A CA 0.655 52.730 52.037 0.064 0.000 1.564 366 A CB -0.068 18.968 19.000 0.061 0.000 1.096 366 A HN 0.700 nan 8.150 nan 0.000 0.441 367 A N -2.849 120.063 122.820 0.153 0.000 2.549 367 A HA 0.586 4.906 4.320 -0.000 0.000 0.297 367 A C -0.470 177.358 177.584 0.407 0.000 0.983 367 A CA 0.004 52.178 52.037 0.227 0.000 0.654 367 A CB -0.500 18.675 19.000 0.291 0.000 1.319 367 A HN 2.004 nan 8.150 nan 0.000 0.428 378 N N 0.043 118.744 118.700 0.002 0.000 2.626 378 N HA -0.114 4.626 4.740 -0.000 0.000 0.193 378 N C 0.703 176.210 175.510 -0.004 0.000 1.213 378 N CA 1.042 54.091 53.050 -0.002 0.000 0.914 378 N CB -0.320 38.163 38.487 -0.006 0.000 0.994 378 N HN 0.456 nan 8.380 nan 0.000 0.447 379 N N -0.592 118.109 118.700 0.001 0.000 2.392 379 N HA 0.096 4.836 4.740 -0.000 0.000 0.177 379 N C -0.727 174.796 175.510 0.022 0.000 1.066 379 N CA -0.091 52.964 53.050 0.008 0.000 0.895 379 N CB 0.193 38.681 38.487 0.003 0.000 0.988 379 N HN 0.361 nan 8.380 nan 0.000 0.457 380 L N 1.623 122.855 121.223 0.015 0.000 2.333 380 L HA 0.444 4.784 4.340 -0.000 0.000 0.280 380 L C -1.032 175.841 176.870 0.006 0.000 1.004 380 L CA -0.631 54.222 54.840 0.022 0.000 0.820 380 L CB 1.486 43.558 42.059 0.022 0.000 1.247 380 L HN 0.174 nan 8.230 nan 0.000 0.416 381 Q N 3.924 123.717 119.800 -0.013 0.000 2.309 381 Q HA 0.784 5.124 4.340 -0.000 0.000 0.264 381 Q C -1.675 174.334 176.000 0.014 0.000 1.008 381 Q CA -0.978 54.790 55.803 -0.058 0.000 0.853 381 Q CB 2.374 30.994 28.738 -0.197 0.000 1.314 381 Q HN 0.440 nan 8.270 nan 0.000 0.448 382 V N 2.092 122.027 119.914 0.036 0.000 2.495 382 V HA 0.455 4.575 4.120 -0.000 0.000 0.298 382 V C -0.576 175.583 176.094 0.109 0.000 1.031 382 V CA -0.690 61.668 62.300 0.097 0.000 0.871 382 V CB 1.856 33.721 31.823 0.070 0.000 0.988 382 V HN 0.898 nan 8.190 nan 0.000 0.432 383 S N 5.061 120.861 115.700 0.166 0.000 2.438 383 S HA 0.538 5.008 4.470 -0.000 0.000 0.316 383 S C -0.232 174.417 174.600 0.082 0.000 1.084 383 S CA -0.757 57.529 58.200 0.145 0.000 1.107 383 S CB 0.673 64.006 63.200 0.222 0.000 0.981 383 S HN 0.632 nan 8.310 nan 0.000 0.466 384 R N 2.792 123.338 120.500 0.077 0.000 2.255 384 R HA 0.522 4.862 4.340 -0.000 0.000 0.326 384 R C -0.161 176.187 176.300 0.080 0.000 0.986 384 R CA -0.464 55.681 56.100 0.074 0.000 0.847 384 R CB 0.921 31.254 30.300 0.055 0.000 1.111 384 R HN 0.680 nan 8.270 nan 0.000 0.452 385 I N -1.045 119.587 120.570 0.103 0.000 2.493 385 I HA 0.422 4.592 4.170 -0.000 0.000 0.298 385 I C -0.823 175.305 176.117 0.019 0.000 0.998 385 I CA -0.798 60.547 61.300 0.075 0.000 1.137 385 I CB 2.125 40.191 38.000 0.110 0.000 1.310 385 I HN 0.394 nan 8.210 nan 0.000 0.445 386 D N 7.741 128.140 120.400 -0.003 0.000 2.396 386 D HA 0.380 5.020 4.640 -0.000 0.000 0.225 386 D C -1.583 174.666 176.300 -0.085 0.000 1.121 386 D CA -2.278 51.699 54.000 -0.038 0.000 0.853 386 D CB 1.472 42.282 40.800 0.017 0.000 1.043 386 D HN 0.361 nan 8.370 nan 0.000 0.500 387 P HA -0.196 nan 4.420 nan 0.000 0.218 387 P C 0.776 178.008 177.300 -0.115 0.000 1.148 387 P CA 1.341 64.324 63.100 -0.195 0.000 0.822 387 P CB 0.177 31.717 31.700 -0.266 0.000 0.784 388 H N 0.981 120.039 119.070 -0.021 0.000 2.290 388 H HA -0.157 4.399 4.556 -0.000 0.000 0.298 388 H C 2.358 177.684 175.328 -0.003 0.000 1.087 388 H CA 1.771 57.812 56.048 -0.012 0.000 1.291 388 H CB -0.254 29.504 29.762 -0.008 0.000 1.369 388 H HN 0.379 nan 8.280 nan 0.000 0.492 389 E N 0.678 120.951 120.200 0.122 0.000 2.216 389 E HA -0.126 4.224 4.350 -0.000 0.000 0.192 389 E C 1.618 178.248 176.600 0.050 0.000 0.988 389 E CA 0.737 57.181 56.400 0.074 0.000 0.834 389 E CB 0.082 29.815 29.700 0.056 0.000 0.772 389 E HN 0.443 nan 8.360 nan 0.000 0.479 390 E N 1.173 121.386 120.200 0.023 0.000 2.047 390 E HA -0.108 4.242 4.350 -0.000 0.000 0.191 390 E C 2.205 178.829 176.600 0.041 0.000 0.987 390 E CA 1.569 57.972 56.400 0.006 0.000 0.799 390 E CB -0.515 29.152 29.700 -0.055 0.000 0.752 390 E HN 0.284 nan 8.360 nan 0.000 0.449 391 T N 1.810 116.386 114.554 0.035 0.000 2.720 391 T HA -0.134 4.216 4.350 -0.000 0.000 0.268 391 T C 1.618 176.398 174.700 0.133 0.000 1.037 391 T CA 1.142 63.289 62.100 0.079 0.000 1.144 391 T CB -0.052 68.850 68.868 0.057 0.000 0.864 391 T HN 0.074 nan 8.240 nan 0.000 0.444 392 E N 0.825 121.082 120.200 0.095 0.000 2.153 392 E HA -0.092 4.258 4.350 -0.000 0.000 0.194 392 E C 2.314 178.961 176.600 0.079 0.000 0.988 392 E CA 0.688 57.134 56.400 0.077 0.000 0.811 392 E CB -0.226 29.507 29.700 0.055 0.000 0.746 392 E HN 0.449 nan 8.360 nan 0.000 0.466 393 R N -0.297 120.259 120.500 0.093 0.000 2.075 393 R HA -0.165 4.175 4.340 -0.000 0.000 0.232 393 R C 2.271 178.654 176.300 0.137 0.000 1.126 393 R CA 1.049 57.203 56.100 0.090 0.000 0.963 393 R CB -0.394 29.949 30.300 0.073 0.000 0.858 393 R HN 0.157 nan 8.270 nan 0.000 0.435 394 Y N 1.510 121.831 120.300 0.034 0.000 2.133 394 Y HA -0.146 4.404 4.550 0.000 0.000 0.287 394 Y C 2.280 178.228 175.900 0.080 0.000 1.134 394 Y CA 1.882 60.018 58.100 0.059 0.000 1.133 394 Y CB -0.144 38.329 38.460 0.021 0.000 0.987 394 Y HN -0.008 nan 8.280 nan 0.000 0.502 395 R N -0.043 120.488 120.500 0.052 0.000 2.083 395 R HA -0.252 4.088 4.340 -0.000 0.000 0.237 395 R C 2.424 178.669 176.300 -0.092 0.000 1.137 395 R CA 1.980 58.048 56.100 -0.053 0.000 0.951 395 R CB -0.628 29.689 30.300 0.027 0.000 0.851 395 R HN 0.479 nan 8.270 nan 0.000 0.434 396 Q N -0.143 119.642 119.800 -0.026 0.000 2.030 396 Q HA -0.272 4.068 4.340 -0.000 0.000 0.204 396 Q C 2.132 178.098 176.000 -0.057 0.000 0.986 396 Q CA 2.088 57.874 55.803 -0.027 0.000 0.843 396 Q CB -0.154 28.591 28.738 0.011 0.000 0.904 396 Q HN 0.453 nan 8.270 nan 0.000 0.420 397 H N -0.713 118.286 119.070 -0.118 0.000 2.390 397 H HA -0.108 4.448 4.556 0.000 0.000 0.298 397 H C 1.598 176.813 175.328 -0.188 0.000 1.106 397 H CA 1.867 57.834 56.048 -0.135 0.000 1.297 397 H CB -0.037 29.651 29.762 -0.123 0.000 1.375 397 H HN 0.104 nan 8.280 nan 0.000 0.509 398 V N 0.443 120.103 119.914 -0.424 0.000 3.041 398 V HA -0.104 4.016 4.120 -0.000 0.000 0.260 398 V C 2.365 178.287 176.094 -0.288 0.000 1.105 398 V CA 1.113 63.157 62.300 -0.427 0.000 1.125 398 V CB -0.362 31.213 31.823 -0.414 0.000 0.730 398 V HN 0.426 nan 8.190 nan 0.000 0.479 399 L N -0.128 120.962 121.223 -0.221 0.000 2.492 399 L HA -0.000 4.339 4.340 -0.000 0.000 0.223 399 L C 2.368 179.153 176.870 -0.141 0.000 1.132 399 L CA 0.985 55.734 54.840 -0.150 0.000 0.850 399 L CB -0.016 41.981 42.059 -0.104 0.000 0.966 399 L HN 0.428 nan 8.230 nan 0.000 0.454 400 E N -0.712 119.380 120.200 -0.180 0.000 2.127 400 E HA -0.107 4.243 4.350 -0.000 0.000 0.191 400 E C 1.814 178.317 176.600 -0.162 0.000 0.964 400 E CA 1.033 57.346 56.400 -0.146 0.000 0.832 400 E CB 0.236 29.853 29.700 -0.138 0.000 0.790 400 E HN 0.229 nan 8.360 nan 0.000 0.465 401 T N 1.398 115.804 114.554 -0.247 0.000 2.569 401 T HA -0.144 4.206 4.350 -0.000 0.000 0.263 401 T C 1.734 176.346 174.700 -0.145 0.000 1.074 401 T CA 1.867 63.839 62.100 -0.214 0.000 1.176 401 T CB -0.154 68.533 68.868 -0.302 0.000 0.863 401 T HN 0.151 nan 8.240 nan 0.000 0.410 402 K N 0.476 120.784 120.400 -0.155 0.000 2.128 402 K HA 0.156 4.476 4.320 -0.000 0.000 0.202 402 K C 2.679 179.219 176.600 -0.101 0.000 1.050 402 K CA 0.750 56.966 56.287 -0.119 0.000 0.966 402 K CB -0.386 32.038 32.500 -0.127 0.000 0.759 402 K HN 0.338 nan 8.250 nan 0.000 0.454 403 G N 2.524 111.261 108.800 -0.105 0.000 2.479 403 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.220 403 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.220 403 G C 1.249 176.110 174.900 -0.064 0.000 1.115 403 G CA 0.487 45.538 45.100 -0.083 0.000 0.757 403 G HN 0.086 nan 8.290 nan 0.000 0.560 404 K N 0.552 120.913 120.400 -0.066 0.000 1.984 404 K HA -0.253 4.067 4.320 -0.000 0.000 0.232 404 K C 2.079 178.658 176.600 -0.035 0.000 1.016 404 K CA 2.292 58.549 56.287 -0.050 0.000 1.010 404 K CB -0.399 32.072 32.500 -0.049 0.000 0.739 404 K HN 0.374 nan 8.250 nan 0.000 0.450 405 E N 0.177 120.359 120.200 -0.030 0.000 2.479 405 E HA 0.066 4.416 4.350 -0.000 0.000 0.193 405 E C -0.199 176.392 176.600 -0.015 0.000 1.049 405 E CA -0.205 56.184 56.400 -0.017 0.000 0.870 405 E CB 0.117 29.812 29.700 -0.008 0.000 0.944 405 E HN 0.068 nan 8.360 nan 0.000 0.492 406 L N 2.090 123.297 121.223 -0.027 0.000 2.473 406 L HA 0.065 4.405 4.340 -0.000 0.000 0.268 406 L C 0.681 177.540 176.870 -0.018 0.000 1.215 406 L CA 0.112 54.937 54.840 -0.026 0.000 0.823 406 L CB 0.152 42.184 42.059 -0.045 0.000 1.099 406 L HN 0.102 nan 8.230 nan 0.000 0.483 407 D N 0.305 120.699 120.400 -0.011 0.000 2.432 407 D HA 0.070 4.709 4.640 -0.000 0.000 0.258 407 D C 0.618 176.912 176.300 -0.011 0.000 1.146 407 D CA -0.404 53.593 54.000 -0.006 0.000 1.015 407 D CB 0.593 41.395 40.800 0.004 0.000 1.107 407 D HN 0.420 nan 8.370 nan 0.000 0.529 408 E N 0.311 120.506 120.200 -0.008 0.000 2.097 408 E HA -0.191 4.159 4.350 -0.000 0.000 0.196 408 E C 1.860 178.453 176.600 -0.011 0.000 1.000 408 E CA 1.718 58.111 56.400 -0.011 0.000 0.804 408 E CB -0.615 29.081 29.700 -0.007 0.000 0.740 408 E HN 0.646 nan 8.360 nan 0.000 0.454 409 A N 0.917 123.735 122.820 -0.004 0.000 1.933 409 A HA -0.078 4.242 4.320 -0.000 0.000 0.218 409 A C 2.489 180.062 177.584 -0.017 0.000 1.175 409 A CA 1.918 53.954 52.037 -0.001 0.000 0.628 409 A CB -0.947 18.062 19.000 0.015 0.000 0.814 409 A HN 0.343 nan 8.150 nan 0.000 0.444 410 G N -0.434 108.353 108.800 -0.022 0.000 2.408 410 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.217 410 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.217 410 G C 1.641 176.508 174.900 -0.054 0.000 1.150 410 G CA 0.933 46.007 45.100 -0.043 0.000 0.776 410 G HN 0.562 nan 8.290 nan 0.000 0.542 411 K N 0.124 120.497 120.400 -0.044 0.000 2.103 411 K HA -0.036 4.284 4.320 -0.000 0.000 0.207 411 K C 2.690 179.262 176.600 -0.046 0.000 1.048 411 K CA 0.730 56.988 56.287 -0.048 0.000 0.930 411 K CB -0.123 32.353 32.500 -0.040 0.000 0.716 411 K HN 0.122 nan 8.250 nan 0.000 0.444 412 R N 0.659 121.137 120.500 -0.037 0.000 2.092 412 R HA -0.105 4.235 4.340 -0.000 0.000 0.231 412 R C 2.347 178.620 176.300 -0.045 0.000 1.119 412 R CA 0.781 56.861 56.100 -0.034 0.000 0.970 412 R CB -0.524 29.761 30.300 -0.025 0.000 0.864 412 R HN 0.162 nan 8.270 nan 0.000 0.440 413 L N 1.163 122.350 121.223 -0.059 0.000 2.056 413 L HA -0.103 4.237 4.340 -0.000 0.000 0.207 413 L C 2.120 178.945 176.870 -0.075 0.000 1.078 413 L CA 1.499 56.289 54.840 -0.083 0.000 0.749 413 L CB -0.623 41.371 42.059 -0.109 0.000 0.901 413 L HN 0.122 nan 8.230 nan 0.000 0.433 414 L N -0.456 120.722 121.223 -0.074 0.000 2.083 414 L HA -0.209 4.131 4.340 -0.000 0.000 0.209 414 L C 2.297 179.140 176.870 -0.046 0.000 1.083 414 L CA 1.875 56.672 54.840 -0.071 0.000 0.752 414 L CB -0.516 41.493 42.059 -0.084 0.000 0.899 414 L HN 0.497 nan 8.230 nan 0.000 0.433 415 E N -0.667 119.510 120.200 -0.039 0.000 2.274 415 E HA -0.237 4.113 4.350 -0.000 0.000 0.194 415 E C 1.766 178.367 176.600 0.001 0.000 0.996 415 E CA 0.666 57.053 56.400 -0.022 0.000 0.840 415 E CB 0.187 29.872 29.700 -0.024 0.000 0.772 415 E HN 0.332 nan 8.360 nan 0.000 0.491 416 E N 1.293 121.494 120.200 0.002 0.000 2.230 416 E HA -0.149 4.201 4.350 -0.000 0.000 0.192 416 E C 1.417 178.095 176.600 0.129 0.000 0.987 416 E CA 0.992 57.417 56.400 0.043 0.000 0.841 416 E CB 0.014 29.708 29.700 -0.011 0.000 0.783 416 E HN 0.131 nan 8.360 nan 0.000 0.481 417 D N -0.609 119.834 120.400 0.071 0.000 2.144 417 D HA -0.078 4.562 4.640 -0.000 0.000 0.200 417 D C 1.214 177.554 176.300 0.067 0.000 0.978 417 D CA 0.773 54.834 54.000 0.102 0.000 0.833 417 D CB 0.049 40.859 40.800 0.016 0.000 0.961 417 D HN 0.243 nan 8.370 nan 0.000 0.470 418 L N -0.256 120.988 121.223 0.036 0.000 2.660 418 L HA 0.214 4.554 4.340 -0.000 0.000 0.238 418 L C 1.589 178.469 176.870 0.018 0.000 1.161 418 L CA 0.060 54.924 54.840 0.040 0.000 0.937 418 L CB -0.001 42.074 42.059 0.027 0.000 1.122 418 L HN -0.095 nan 8.230 nan 0.000 0.435 419 R N -1.284 119.208 120.500 -0.013 0.000 2.437 419 R HA 0.209 4.549 4.340 -0.000 0.000 0.257 419 R C 0.685 176.830 176.300 -0.259 0.000 0.927 419 R CA -0.009 56.058 56.100 -0.056 0.000 1.078 419 R CB 0.509 30.827 30.300 0.031 0.000 1.161 419 R HN 0.050 nan 8.270 nan 0.000 0.529 420 S N 1.175 116.680 115.700 -0.326 0.000 2.584 420 S HA 0.111 4.581 4.470 -0.000 0.000 0.270 420 S C -1.726 172.712 174.600 -0.270 0.000 1.346 420 S CA -1.155 56.740 58.200 -0.508 0.000 1.018 420 S CB 1.181 64.233 63.200 -0.246 0.000 0.899 420 S HN 0.072 nan 8.310 nan 0.000 0.542 421 P HA -0.091 nan 4.420 nan 0.000 0.215 421 P C 1.561 178.794 177.300 -0.112 0.000 1.153 421 P CA 1.112 64.127 63.100 -0.142 0.000 0.853 421 P CB -0.222 31.412 31.700 -0.110 0.000 0.788 422 C N -3.244 115.998 119.300 -0.097 0.000 2.449 422 C HA 0.014 4.473 4.460 -0.000 0.000 0.283 422 C C 2.348 177.277 174.990 -0.102 0.000 1.453 422 C CA 0.754 59.722 59.018 -0.083 0.000 1.779 422 C CB -2.120 25.597 27.740 -0.039 0.000 1.779 422 C HN 0.178 nan 8.230 nan 0.000 0.546 423 T N 1.185 115.690 114.554 -0.081 0.000 2.737 423 T HA -0.180 4.170 4.350 -0.000 0.000 0.265 423 T C 1.773 176.386 174.700 -0.144 0.000 1.038 423 T CA 2.083 64.148 62.100 -0.059 0.000 1.144 423 T CB -0.312 68.579 68.868 0.037 0.000 0.866 423 T HN 0.802 nan 8.240 nan 0.000 0.434 424 E N 0.997 121.129 120.200 -0.114 0.000 2.047 424 E HA -0.189 4.161 4.350 -0.000 0.000 0.191 424 E C 2.233 178.724 176.600 -0.181 0.000 0.987 424 E CA 1.211 57.532 56.400 -0.131 0.000 0.799 424 E CB -0.070 29.567 29.700 -0.105 0.000 0.752 424 E HN 0.596 nan 8.360 nan 0.000 0.449 425 E N 0.381 120.483 120.200 -0.163 0.000 2.065 425 E HA -0.247 4.102 4.350 -0.000 0.000 0.201 425 E C 2.105 178.598 176.600 -0.178 0.000 1.016 425 E CA 1.904 58.206 56.400 -0.164 0.000 0.818 425 E CB -0.187 29.432 29.700 -0.136 0.000 0.749 425 E HN 0.393 nan 8.360 nan 0.000 0.453 426 I N 0.739 121.173 120.570 -0.225 0.000 2.202 426 I HA -0.229 3.941 4.170 -0.000 0.000 0.242 426 I C 2.681 178.601 176.117 -0.328 0.000 1.091 426 I CA 0.944 62.084 61.300 -0.266 0.000 1.368 426 I CB -0.427 37.323 38.000 -0.417 0.000 1.058 426 I HN 0.206 nan 8.210 nan 0.000 0.410 427 A N 0.570 123.110 122.820 -0.467 0.000 1.883 427 A HA -0.175 4.145 4.320 -0.000 0.000 0.217 427 A C 2.448 179.883 177.584 -0.248 0.000 1.186 427 A CA 1.971 53.788 52.037 -0.367 0.000 0.624 427 A CB -1.066 17.785 19.000 -0.249 0.000 0.822 427 A HN 0.242 nan 8.150 nan 0.000 0.444 428 V N -1.404 118.345 119.914 -0.275 0.000 2.343 428 V HA -0.238 3.882 4.120 -0.000 0.000 0.247 428 V C 2.286 178.080 176.094 -0.500 0.000 1.051 428 V CA 2.060 64.113 62.300 -0.411 0.000 1.036 428 V CB -0.874 30.653 31.823 -0.492 0.000 0.654 428 V HN 0.655 nan 8.190 nan 0.000 0.451 429 F N 0.690 120.376 119.950 -0.441 0.000 2.269 429 F HA -0.207 4.320 4.527 -0.000 0.000 0.301 429 F C 2.421 178.136 175.800 -0.141 0.000 1.082 429 F CA 1.619 59.448 58.000 -0.285 0.000 1.360 429 F CB -0.015 38.871 39.000 -0.189 0.000 1.041 429 F HN 0.197 nan 8.300 nan 0.000 0.512 430 Q N -0.204 119.449 119.800 -0.243 0.000 2.311 430 Q HA -0.025 4.315 4.340 -0.000 0.000 0.203 430 Q C 2.384 178.267 176.000 -0.194 0.000 0.954 430 Q CA 0.858 56.515 55.803 -0.243 0.000 0.885 430 Q CB -0.203 28.457 28.738 -0.130 0.000 0.963 430 Q HN 0.525 nan 8.270 nan 0.000 0.471 431 A N 0.604 123.326 122.820 -0.164 0.000 1.874 431 A HA -0.065 4.255 4.320 -0.000 0.000 0.214 431 A C 1.808 179.418 177.584 0.043 0.000 1.189 431 A CA 0.678 52.677 52.037 -0.063 0.000 0.615 431 A CB -0.737 18.227 19.000 -0.060 0.000 0.830 431 A HN 0.316 nan 8.150 nan 0.000 0.443 432 F N 0.657 120.482 119.950 -0.209 0.000 2.095 432 F HA -0.211 4.316 4.527 0.000 0.000 0.298 432 F C 2.815 178.443 175.800 -0.287 0.000 1.104 432 F CA 0.958 58.821 58.000 -0.228 0.000 1.232 432 F CB -0.205 38.665 39.000 -0.217 0.000 0.987 432 F HN 0.173 nan 8.300 nan 0.000 0.475 433 S N -0.110 115.453 115.700 -0.227 0.000 2.441 433 S HA -0.259 4.211 4.470 -0.000 0.000 0.242 433 S C 1.700 176.212 174.600 -0.148 0.000 1.018 433 S CA 1.020 59.045 58.200 -0.291 0.000 0.988 433 S CB -0.400 62.544 63.200 -0.426 0.000 0.778 433 S HN 0.214 nan 8.310 nan 0.000 0.498 434 R N 0.828 121.270 120.500 -0.096 0.000 2.127 434 R HA -0.077 4.263 4.340 -0.000 0.000 0.238 434 R C 2.180 178.454 176.300 -0.042 0.000 1.134 434 R CA 1.459 57.527 56.100 -0.054 0.000 0.975 434 R CB -0.624 29.662 30.300 -0.022 0.000 0.865 434 R HN 0.552 nan 8.270 nan 0.000 0.447 435 V N -3.243 116.633 119.914 -0.064 0.000 3.621 435 V HA 0.178 4.298 4.120 -0.000 0.000 0.263 435 V C 1.713 177.757 176.094 -0.084 0.000 1.272 435 V CA 0.330 62.594 62.300 -0.060 0.000 1.080 435 V CB -0.222 31.519 31.823 -0.137 0.000 0.816 435 V HN 0.120 nan 8.190 nan 0.000 0.451 436 I N 2.376 122.881 120.570 -0.109 0.000 2.462 436 I HA -0.297 3.873 4.170 -0.000 0.000 0.259 436 I C 2.985 179.068 176.117 -0.057 0.000 1.156 436 I CA 2.280 63.525 61.300 -0.091 0.000 1.417 436 I CB -0.488 37.456 38.000 -0.095 0.000 1.088 436 I HN 0.516 nan 8.210 nan 0.000 0.442 437 R N 1.771 122.242 120.500 -0.048 0.000 2.091 437 R HA -0.223 4.117 4.340 -0.000 0.000 0.238 437 R C 1.357 177.638 176.300 -0.032 0.000 1.136 437 R CA 1.943 58.022 56.100 -0.035 0.000 0.959 437 R CB -0.869 29.414 30.300 -0.028 0.000 0.856 437 R HN 0.411 nan 8.270 nan 0.000 0.437 438 E N 1.044 121.233 120.200 -0.018 0.000 2.516 438 E HA 0.044 4.394 4.350 -0.000 0.000 0.199 438 E C 1.786 178.369 176.600 -0.029 0.000 1.069 438 E CA 0.642 57.036 56.400 -0.010 0.000 0.876 438 E CB 0.035 29.760 29.700 0.041 0.000 0.843 438 E HN 0.538 nan 8.360 nan 0.000 0.530 439 A N 1.058 123.856 122.820 -0.037 0.000 2.139 439 A HA -0.142 4.178 4.320 -0.000 0.000 0.221 439 A C 2.196 179.740 177.584 -0.067 0.000 1.159 439 A CA 1.567 53.580 52.037 -0.040 0.000 0.662 439 A CB -0.846 18.137 19.000 -0.028 0.000 0.796 439 A HN 0.400 nan 8.150 nan 0.000 0.463 440 G N -0.070 108.669 108.800 -0.101 0.000 2.404 440 G HA2 -0.107 3.853 3.960 -0.000 0.000 0.213 440 G HA3 -0.107 3.853 3.960 -0.000 0.000 0.213 440 G C 1.571 176.307 174.900 -0.274 0.000 1.189 440 G CA 1.007 45.989 45.100 -0.197 0.000 0.796 440 G HN 0.546 nan 8.290 nan 0.000 0.532 441 K N 0.329 120.632 120.400 -0.161 0.000 2.103 441 K HA 0.128 4.448 4.320 -0.000 0.000 0.204 441 K C 1.677 178.209 176.600 -0.112 0.000 1.052 441 K CA 0.898 57.105 56.287 -0.134 0.000 0.945 441 K CB -0.024 32.435 32.500 -0.068 0.000 0.722 441 K HN 0.531 nan 8.250 nan 0.000 0.443 442 R N -1.407 119.041 120.500 -0.087 0.000 3.416 442 R HA 0.460 4.800 4.340 -0.000 0.000 0.236 442 R C -0.826 175.377 176.300 -0.161 0.000 1.576 442 R CA -0.875 55.184 56.100 -0.068 0.000 1.011 442 R CB 0.236 30.577 30.300 0.069 0.000 1.670 442 R HN -0.156 nan 8.270 nan 0.000 0.519 443 F N 0.203 120.164 119.950 0.019 0.000 2.450 443 F HA 0.566 5.093 4.527 -0.000 0.000 0.332 443 F C -0.465 175.324 175.800 -0.019 0.000 1.093 443 F CA -0.845 57.139 58.000 -0.028 0.000 1.003 443 F CB 2.497 41.463 39.000 -0.056 0.000 1.151 443 F HN 0.003 nan 8.300 nan 0.000 0.474 444 V N 4.150 124.145 119.914 0.135 0.000 2.483 444 V HA 0.474 4.594 4.120 -0.000 0.000 0.297 444 V C -0.888 175.180 176.094 -0.044 0.000 1.027 444 V CA -0.750 61.546 62.300 -0.008 0.000 0.855 444 V CB 1.975 33.744 31.823 -0.089 0.000 0.995 444 V HN 0.472 nan 8.190 nan 0.000 0.424 445 V N 6.505 126.358 119.914 -0.101 0.000 2.448 445 V HA 0.575 4.695 4.120 -0.000 0.000 0.295 445 V C -0.106 175.860 176.094 -0.214 0.000 1.025 445 V CA -0.403 61.831 62.300 -0.111 0.000 0.859 445 V CB 1.713 33.489 31.823 -0.079 0.000 0.988 445 V HN 0.824 nan 8.190 nan 0.000 0.431 446 M N 3.475 122.966 119.600 -0.181 0.000 2.535 446 M HA 0.433 4.913 4.480 -0.000 0.000 0.314 446 M C -0.074 176.220 176.300 -0.010 0.000 1.153 446 M CA -0.674 54.482 55.300 -0.240 0.000 0.924 446 M CB 2.178 34.681 32.600 -0.162 0.000 1.710 446 M HN 0.793 nan 8.290 nan 0.000 0.451 447 D N -0.694 119.762 120.400 0.093 0.000 2.363 447 D HA 0.109 4.749 4.640 -0.000 0.000 0.214 447 D C 0.012 176.392 176.300 0.133 0.000 1.093 447 D CA 0.152 54.212 54.000 0.101 0.000 0.837 447 D CB 0.507 41.352 40.800 0.074 0.000 0.948 447 D HN 0.491 nan 8.370 nan 0.000 0.507 448 T N -1.357 113.338 114.554 0.236 0.000 2.886 448 T HA 0.647 4.997 4.350 -0.000 0.000 0.330 448 T C -2.125 172.663 174.700 0.145 0.000 1.488 448 T CA -0.216 61.959 62.100 0.124 0.000 1.054 448 T CB 1.322 70.213 68.868 0.038 0.000 1.348 448 T HN 0.250 nan 8.240 nan 0.000 0.489 449 A N 3.514 126.353 122.820 0.032 0.000 2.587 449 A HA 0.931 5.251 4.320 -0.000 0.000 0.293 449 A C -3.108 174.399 177.584 -0.129 0.000 1.087 449 A CA -1.413 50.617 52.037 -0.012 0.000 0.692 449 A CB 1.258 20.253 19.000 -0.009 0.000 1.291 449 A HN 0.624 nan 8.150 nan 0.000 0.407 450 P HA 0.365 nan 4.420 nan 0.000 0.274 450 P C 0.275 177.453 177.300 -0.203 0.000 1.246 450 P CA -0.040 62.905 63.100 -0.257 0.000 0.795 450 P CB 0.551 32.007 31.700 -0.407 0.000 1.006 451 T N -2.634 111.838 114.554 -0.138 0.000 2.788 451 T HA 0.265 4.615 4.350 -0.000 0.000 0.287 451 T C 1.652 176.297 174.700 -0.091 0.000 1.007 451 T CA -0.030 62.018 62.100 -0.087 0.000 1.005 451 T CB 0.370 69.225 68.868 -0.023 0.000 1.012 451 T HN 0.432 nan 8.240 nan 0.000 0.530 452 G N -0.001 108.768 108.800 -0.052 0.000 2.446 452 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.217 452 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.217 452 G C 1.336 176.219 174.900 -0.028 0.000 1.168 452 G CA 1.412 46.486 45.100 -0.044 0.000 0.771 452 G HN 1.071 nan 8.290 nan 0.000 0.551 453 H N 0.750 119.783 119.070 -0.062 0.000 2.289 453 H HA -0.095 4.461 4.556 -0.000 0.000 0.296 453 H C 2.606 177.899 175.328 -0.060 0.000 1.091 453 H CA 2.517 58.536 56.048 -0.049 0.000 1.274 453 H CB -0.585 29.153 29.762 -0.041 0.000 1.364 453 H HN 0.248 nan 8.280 nan 0.000 0.490 454 T N 1.702 116.094 114.554 -0.269 0.000 2.788 454 T HA -0.098 4.252 4.350 -0.000 0.000 0.268 454 T C 2.075 176.613 174.700 -0.270 0.000 1.044 454 T CA 1.041 62.952 62.100 -0.316 0.000 1.139 454 T CB -0.197 68.570 68.868 -0.169 0.000 0.867 454 T HN 0.132 nan 8.240 nan 0.000 0.454 455 L N 0.802 121.883 121.223 -0.237 0.000 2.012 455 L HA -0.004 4.336 4.340 -0.000 0.000 0.210 455 L C 2.418 179.196 176.870 -0.152 0.000 1.073 455 L CA 1.542 56.250 54.840 -0.221 0.000 0.748 455 L CB -1.463 40.473 42.059 -0.206 0.000 0.891 455 L HN 0.331 nan 8.230 nan 0.000 0.431 456 L N -1.395 119.740 121.223 -0.146 0.000 2.042 456 L HA -0.269 4.071 4.340 -0.000 0.000 0.210 456 L C 2.534 179.331 176.870 -0.122 0.000 1.076 456 L CA 0.725 55.500 54.840 -0.107 0.000 0.749 456 L CB -0.468 41.541 42.059 -0.084 0.000 0.893 456 L HN 0.221 nan 8.230 nan 0.000 0.432 457 L N -0.500 120.596 121.223 -0.211 0.000 2.017 457 L HA -0.221 4.119 4.340 -0.000 0.000 0.208 457 L C 2.369 179.187 176.870 -0.087 0.000 1.073 457 L CA 1.745 56.483 54.840 -0.170 0.000 0.745 457 L CB -0.675 41.224 42.059 -0.267 0.000 0.894 457 L HN 0.151 nan 8.230 nan 0.000 0.432 458 L N -0.978 120.193 121.223 -0.087 0.000 2.191 458 L HA -0.216 4.124 4.340 -0.000 0.000 0.212 458 L C 2.143 179.011 176.870 -0.003 0.000 1.103 458 L CA 1.127 55.952 54.840 -0.025 0.000 0.769 458 L CB -0.453 41.596 42.059 -0.018 0.000 0.908 458 L HN 0.311 nan 8.230 nan 0.000 0.438 459 D N 0.096 120.483 120.400 -0.022 0.000 2.144 459 D HA -0.145 4.495 4.640 -0.000 0.000 0.200 459 D C 2.148 178.449 176.300 0.002 0.000 0.978 459 D CA 1.226 55.224 54.000 -0.003 0.000 0.833 459 D CB 0.196 40.989 40.800 -0.013 0.000 0.961 459 D HN 0.221 nan 8.370 nan 0.000 0.470 460 A N -0.400 122.416 122.820 -0.008 0.000 2.067 460 A HA 0.014 4.334 4.320 -0.000 0.000 0.219 460 A C 1.560 179.150 177.584 0.010 0.000 1.158 460 A CA 0.983 53.020 52.037 0.001 0.000 0.661 460 A CB -0.707 18.291 19.000 -0.005 0.000 0.801 460 A HN 0.265 nan 8.150 nan 0.000 0.452 481 P HA 0.382 nan 4.420 nan 0.000 0.236 481 P C 1.277 178.637 177.300 0.099 0.000 1.709 481 P CA -0.489 62.665 63.100 0.089 0.000 0.942 481 P CB 0.415 32.157 31.700 0.071 0.000 1.615 482 M N 0.937 120.591 119.600 0.091 0.000 2.128 482 M HA -0.242 4.238 4.480 -0.000 0.000 0.253 482 M C 1.934 178.264 176.300 0.050 0.000 1.079 482 M CA 2.034 57.371 55.300 0.061 0.000 1.082 482 M CB -0.711 31.911 32.600 0.036 0.000 1.335 482 M HN -0.026 nan 8.290 nan 0.000 0.401 483 M N -1.345 118.281 119.600 0.043 0.000 2.080 483 M HA -0.199 4.281 4.480 -0.000 0.000 0.260 483 M C 2.135 178.458 176.300 0.039 0.000 1.068 483 M CA 1.611 56.933 55.300 0.036 0.000 1.109 483 M CB -1.013 31.604 32.600 0.028 0.000 1.342 483 M HN 0.451 nan 8.290 nan 0.000 0.405 484 L N 1.128 122.376 121.223 0.042 0.000 2.012 484 L HA -0.165 4.175 4.340 -0.000 0.000 0.210 484 L C 2.189 179.089 176.870 0.050 0.000 1.073 484 L CA 1.773 56.637 54.840 0.040 0.000 0.748 484 L CB -0.665 41.417 42.059 0.039 0.000 0.891 484 L HN 0.234 nan 8.230 nan 0.000 0.431 485 L N -0.943 120.320 121.223 0.068 0.000 2.042 485 L HA -0.261 4.079 4.340 -0.000 0.000 0.210 485 L C 2.595 179.500 176.870 0.059 0.000 1.076 485 L CA 1.592 56.474 54.840 0.070 0.000 0.749 485 L CB -0.663 41.442 42.059 0.076 0.000 0.893 485 L HN 0.444 nan 8.230 nan 0.000 0.432 486 Q N -0.912 118.920 119.800 0.054 0.000 2.297 486 Q HA -0.089 4.251 4.340 -0.000 0.000 0.204 486 Q C 0.561 176.597 176.000 0.060 0.000 0.962 486 Q CA 0.239 56.077 55.803 0.058 0.000 0.879 486 Q CB -0.026 28.742 28.738 0.049 0.000 0.947 486 Q HN 0.329 nan 8.270 nan 0.000 0.462 487 D N 0.947 121.376 120.400 0.049 0.000 2.338 487 D HA 0.025 4.665 4.640 -0.000 0.000 0.255 487 D C -1.926 174.399 176.300 0.042 0.000 1.237 487 D CA -1.902 52.123 54.000 0.041 0.000 0.883 487 D CB 1.398 42.217 40.800 0.030 0.000 1.087 487 D HN -0.065 nan 8.370 nan 0.000 0.485 488 P HA -0.095 nan 4.420 nan 0.000 0.222 488 P C 0.872 178.181 177.300 0.015 0.000 1.147 488 P CA 0.728 63.869 63.100 0.069 0.000 0.790 488 P CB 0.527 32.283 31.700 0.095 0.000 0.780 489 E N -0.674 119.525 120.200 -0.001 0.000 2.051 489 E HA -0.028 4.322 4.350 -0.000 0.000 0.189 489 E C 2.132 178.683 176.600 -0.082 0.000 0.979 489 E CA 0.931 57.305 56.400 -0.043 0.000 0.803 489 E CB -0.501 29.193 29.700 -0.010 0.000 0.761 489 E HN 0.236 nan 8.360 nan 0.000 0.451 490 R N 0.393 120.876 120.500 -0.029 0.000 2.062 490 R HA 0.053 4.393 4.340 -0.000 0.000 0.229 490 R C 0.686 176.959 176.300 -0.045 0.000 1.128 490 R CA 0.883 56.972 56.100 -0.018 0.000 0.960 490 R CB -0.432 29.876 30.300 0.013 0.000 0.855 490 R HN 0.084 nan 8.270 nan 0.000 0.432 491 T N 1.357 115.893 114.554 -0.030 0.000 2.888 491 T HA 0.392 4.742 4.350 -0.000 0.000 0.284 491 T C -0.352 174.317 174.700 -0.052 0.000 1.017 491 T CA -0.531 61.554 62.100 -0.024 0.000 1.022 491 T CB 2.331 71.215 68.868 0.027 0.000 1.013 491 T HN -0.072 nan 8.240 nan 0.000 0.465 492 K N 2.187 122.544 120.400 -0.072 0.000 2.656 492 K HA 0.480 4.800 4.320 -0.000 0.000 0.241 492 K C -1.222 175.410 176.600 0.054 0.000 0.967 492 K CA -0.546 55.689 56.287 -0.087 0.000 0.946 492 K CB 1.755 33.993 32.500 -0.438 0.000 1.164 492 K HN 0.320 nan 8.250 nan 0.000 0.459 493 V N 5.179 125.186 119.914 0.155 0.000 2.461 493 V HA 0.320 4.440 4.120 -0.000 0.000 0.275 493 V C 0.048 176.248 176.094 0.177 0.000 1.047 493 V CA -0.591 61.786 62.300 0.130 0.000 0.955 493 V CB 0.698 32.582 31.823 0.103 0.000 0.988 493 V HN 0.565 nan 8.190 nan 0.000 0.471 494 L N 5.525 126.814 121.223 0.109 0.000 2.317 494 L HA 0.556 4.896 4.340 -0.000 0.000 0.281 494 L C -0.742 176.092 176.870 -0.061 0.000 1.024 494 L CA -0.774 54.123 54.840 0.096 0.000 0.810 494 L CB 1.796 43.924 42.059 0.115 0.000 1.240 494 L HN 0.390 nan 8.230 nan 0.000 0.427 495 L N 3.713 124.806 121.223 -0.216 0.000 2.298 495 L HA 0.453 4.793 4.340 -0.000 0.000 0.284 495 L C -0.289 176.321 176.870 -0.434 0.000 1.013 495 L CA -0.236 54.305 54.840 -0.498 0.000 0.824 495 L CB 1.735 43.131 42.059 -1.104 0.000 1.221 495 L HN 0.212 nan 8.230 nan 0.000 0.418 496 V N 3.850 123.600 119.914 -0.272 0.000 2.465 496 V HA 0.726 4.846 4.120 -0.000 0.000 0.279 496 V C 0.369 176.353 176.094 -0.184 0.000 1.045 496 V CA -0.249 61.957 62.300 -0.157 0.000 0.938 496 V CB 1.319 33.092 31.823 -0.083 0.000 0.986 496 V HN 0.867 nan 8.190 nan 0.000 0.467 497 T N 4.423 118.921 114.554 -0.093 0.000 2.681 497 T HA 0.708 5.058 4.350 -0.000 0.000 0.296 497 T C -1.429 173.284 174.700 0.023 0.000 1.157 497 T CA -0.492 61.577 62.100 -0.052 0.000 1.025 497 T CB 1.369 70.216 68.868 -0.035 0.000 1.441 497 T HN 0.406 nan 8.240 nan 0.000 0.504 498 L N 2.222 123.467 121.223 0.037 0.000 2.319 498 L HA 0.550 4.890 4.340 -0.000 0.000 0.267 498 L C -1.610 175.302 176.870 0.070 0.000 1.011 498 L CA -2.479 52.389 54.840 0.046 0.000 0.818 498 L CB 2.257 44.333 42.059 0.028 0.000 1.316 498 L HN 0.511 nan 8.230 nan 0.000 0.432 499 P HA 0.004 nan 4.420 nan 0.000 0.269 499 P C -0.525 176.808 177.300 0.056 0.000 1.461 499 P CA 0.435 63.575 63.100 0.066 0.000 0.809 499 P CB 0.041 31.773 31.700 0.053 0.000 1.503 500 E N -0.787 119.446 120.200 0.054 0.000 2.212 500 E HA 0.183 4.533 4.350 -0.000 0.000 0.270 500 E C 1.334 177.964 176.600 0.049 0.000 0.956 500 E CA -0.516 55.910 56.400 0.043 0.000 0.825 500 E CB 0.957 30.677 29.700 0.032 0.000 1.167 500 E HN -0.072 nan 8.360 nan 0.000 0.400 501 T N -1.236 113.342 114.554 0.041 0.000 2.665 501 T HA -0.231 4.119 4.350 -0.000 0.000 0.268 501 T C 1.747 176.473 174.700 0.042 0.000 1.035 501 T CA 2.065 64.191 62.100 0.043 0.000 1.151 501 T CB -0.501 68.385 68.868 0.031 0.000 0.862 501 T HN 0.355 nan 8.240 nan 0.000 0.438 502 T N 2.634 117.207 114.554 0.032 0.000 2.809 502 T HA 0.075 4.425 4.350 -0.000 0.000 0.260 502 T C -0.461 174.254 174.700 0.025 0.000 1.039 502 T CA 1.089 63.206 62.100 0.028 0.000 1.141 502 T CB -1.161 67.720 68.868 0.022 0.000 0.869 502 T HN 0.355 nan 8.240 nan 0.000 0.437 503 P HA -0.016 nan 4.420 nan 0.000 0.219 503 P C 1.475 178.794 177.300 0.032 0.000 1.146 503 P CA 0.576 63.686 63.100 0.016 0.000 0.808 503 P CB -0.114 31.596 31.700 0.017 0.000 0.779 504 V N -1.035 118.921 119.914 0.070 0.000 2.379 504 V HA -0.187 3.933 4.120 -0.000 0.000 0.245 504 V C 2.311 178.435 176.094 0.051 0.000 1.044 504 V CA 1.381 63.756 62.300 0.125 0.000 1.036 504 V CB -1.025 30.882 31.823 0.140 0.000 0.664 504 V HN 0.057 nan 8.190 nan 0.000 0.453 505 L N -0.143 121.096 121.223 0.028 0.000 2.046 505 L HA -0.161 4.179 4.340 -0.000 0.000 0.208 505 L C 2.534 179.403 176.870 -0.001 0.000 1.077 505 L CA 1.865 56.710 54.840 0.009 0.000 0.747 505 L CB -0.425 41.651 42.059 0.028 0.000 0.896 505 L HN 0.343 nan 8.230 nan 0.000 0.432 506 E N -0.834 119.363 120.200 -0.004 0.000 2.110 506 E HA -0.233 4.117 4.350 -0.000 0.000 0.193 506 E C 2.142 178.709 176.600 -0.055 0.000 0.988 506 E CA 1.041 57.427 56.400 -0.023 0.000 0.804 506 E CB -0.203 29.481 29.700 -0.025 0.000 0.745 506 E HN 0.620 nan 8.360 nan 0.000 0.458 507 A N 1.481 124.256 122.820 -0.075 0.000 1.897 507 A HA -0.022 4.298 4.320 -0.000 0.000 0.215 507 A C 2.401 179.954 177.584 -0.052 0.000 1.181 507 A CA 1.417 53.331 52.037 -0.205 0.000 0.620 507 A CB -0.514 18.228 19.000 -0.429 0.000 0.821 507 A HN 0.277 nan 8.150 nan 0.000 0.443 508 A N 0.525 123.408 122.820 0.106 0.000 1.908 508 A HA -0.252 4.068 4.320 -0.000 0.000 0.218 508 A C 1.888 179.506 177.584 0.057 0.000 1.181 508 A CA 1.838 53.932 52.037 0.095 0.000 0.627 508 A CB -0.950 17.940 19.000 -0.183 0.000 0.818 508 A HN 0.728 nan 8.150 nan 0.000 0.445 509 N N -0.649 118.058 118.700 0.013 0.000 2.223 509 N HA -0.108 4.632 4.740 -0.000 0.000 0.185 509 N C 1.410 176.913 175.510 -0.012 0.000 1.016 509 N CA 0.959 54.012 53.050 0.004 0.000 0.863 509 N CB -0.160 38.325 38.487 -0.004 0.000 0.983 509 N HN 0.265 nan 8.380 nan 0.000 0.429 510 L N 1.451 122.651 121.223 -0.038 0.000 2.027 510 L HA -0.144 4.196 4.340 -0.000 0.000 0.206 510 L C 2.539 179.382 176.870 -0.045 0.000 1.074 510 L CA 1.530 56.334 54.840 -0.061 0.000 0.745 510 L CB -1.104 40.886 42.059 -0.114 0.000 0.898 510 L HN 0.218 nan 8.230 nan 0.000 0.433 511 Q N -0.695 119.094 119.800 -0.018 0.000 2.061 511 Q HA -0.233 4.107 4.340 -0.000 0.000 0.204 511 Q C 2.198 178.190 176.000 -0.013 0.000 0.984 511 Q CA 2.012 57.824 55.803 0.016 0.000 0.846 511 Q CB -0.108 28.735 28.738 0.176 0.000 0.902 511 Q HN 0.476 nan 8.270 nan 0.000 0.421 512 A N 0.652 123.478 122.820 0.010 0.000 1.948 512 A HA -0.267 4.053 4.320 -0.000 0.000 0.220 512 A C 1.737 179.317 177.584 -0.008 0.000 1.177 512 A CA 2.052 54.089 52.037 0.000 0.000 0.636 512 A CB -0.875 18.136 19.000 0.019 0.000 0.815 512 A HN 0.619 nan 8.150 nan 0.000 0.449 513 D N -0.548 119.847 120.400 -0.009 0.000 2.123 513 D HA -0.056 4.584 4.640 -0.000 0.000 0.200 513 D C 1.850 178.143 176.300 -0.012 0.000 0.976 513 D CA 0.912 54.910 54.000 -0.003 0.000 0.831 513 D CB -0.163 40.636 40.800 -0.002 0.000 0.974 513 D HN 0.410 nan 8.370 nan 0.000 0.469 514 L N 0.226 121.432 121.223 -0.029 0.000 2.083 514 L HA -0.110 4.230 4.340 -0.000 0.000 0.209 514 L C 2.321 179.175 176.870 -0.027 0.000 1.083 514 L CA 1.074 55.894 54.840 -0.034 0.000 0.752 514 L CB -0.307 41.728 42.059 -0.040 0.000 0.899 514 L HN 0.115 nan 8.230 nan 0.000 0.433 515 E N -0.140 120.033 120.200 -0.044 0.000 2.106 515 E HA -0.205 4.145 4.350 -0.000 0.000 0.192 515 E C 2.272 178.874 176.600 0.003 0.000 0.984 515 E CA 0.814 57.189 56.400 -0.042 0.000 0.806 515 E CB 0.064 29.703 29.700 -0.102 0.000 0.750 515 E HN 0.385 nan 8.360 nan 0.000 0.458 516 R N 0.094 120.597 120.500 0.005 0.000 2.152 516 R HA -0.057 4.283 4.340 -0.000 0.000 0.232 516 R C 1.834 178.143 176.300 0.016 0.000 1.117 516 R CA 1.023 57.133 56.100 0.017 0.000 0.981 516 R CB -0.051 30.262 30.300 0.022 0.000 0.870 516 R HN 0.032 nan 8.270 nan 0.000 0.451 517 A N 0.000 122.824 122.820 0.006 0.000 2.278 517 A HA 0.280 4.600 4.320 -0.000 0.000 0.212 517 A C 1.306 178.898 177.584 0.014 0.000 1.213 517 A CA 0.527 52.563 52.037 -0.001 0.000 0.840 517 A CB -0.081 18.904 19.000 -0.026 0.000 0.866 517 A HN 0.406 nan 8.150 nan 0.000 0.489 518 G N -0.725 108.093 108.800 0.030 0.000 2.148 518 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.254 518 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.254 518 G C 0.043 174.986 174.900 0.072 0.000 0.981 518 G CA 0.464 45.596 45.100 0.053 0.000 0.670 518 G HN 0.524 nan 8.290 nan 0.000 0.528 519 I N 0.877 121.481 120.570 0.057 0.000 2.354 519 I HA 0.376 4.546 4.170 -0.000 0.000 0.292 519 I C 0.059 176.240 176.117 0.106 0.000 0.989 519 I CA -0.950 60.398 61.300 0.080 0.000 1.188 519 I CB 1.438 39.462 38.000 0.041 0.000 1.342 519 I HN 0.039 nan 8.210 nan 0.000 0.457 520 H N 7.314 126.436 119.070 0.088 0.000 2.638 520 H HA 0.382 4.938 4.556 -0.000 0.000 0.317 520 H C -2.474 172.946 175.328 0.153 0.000 1.006 520 H CA -1.977 54.137 56.048 0.111 0.000 1.222 520 H CB 1.736 31.557 29.762 0.099 0.000 1.419 520 H HN 0.277 nan 8.280 nan 0.000 0.489 521 P HA -0.133 nan 4.420 nan 0.000 0.261 521 P C 0.410 177.946 177.300 0.393 0.000 1.173 521 P CA 0.387 63.661 63.100 0.290 0.000 0.760 521 P CB 0.493 32.348 31.700 0.259 0.000 0.783 522 W N 4.404 125.808 121.300 0.175 0.000 2.584 522 W HA 0.197 4.857 4.660 -0.000 0.000 0.264 522 W C 0.584 177.202 176.519 0.165 0.000 1.264 522 W CA 1.509 58.940 57.345 0.144 0.000 1.306 522 W CB 0.292 29.804 29.460 0.088 0.000 1.110 522 W HN 0.455 nan 8.180 nan 0.000 0.606 523 G N -1.973 106.978 108.800 0.253 0.000 2.523 523 G HA2 0.388 4.348 3.960 -0.000 0.000 0.291 523 G HA3 0.388 4.348 3.960 -0.000 0.000 0.291 523 G C -2.438 172.706 174.900 0.408 0.000 1.450 523 G CA -0.964 44.222 45.100 0.143 0.000 0.790 523 G HN -0.047 nan 8.290 nan 0.000 0.496 524 W N -0.226 121.075 121.300 0.001 0.000 2.736 524 W HA 0.755 5.415 4.660 -0.000 0.000 0.335 524 W C -0.314 176.220 176.519 0.025 0.000 1.059 524 W CA -0.854 56.505 57.345 0.024 0.000 1.226 524 W CB 1.892 31.363 29.460 0.019 0.000 1.416 524 W HN 0.306 nan 8.180 nan 0.000 0.505 525 I N 4.876 125.566 120.570 0.201 0.000 2.382 525 I HA 0.321 4.491 4.170 -0.000 0.000 0.286 525 I C -0.341 175.847 176.117 0.118 0.000 1.002 525 I CA -0.775 60.603 61.300 0.129 0.000 1.135 525 I CB 0.799 38.841 38.000 0.071 0.000 1.288 525 I HN 0.123 nan 8.210 nan 0.000 0.448 526 I N 5.857 126.503 120.570 0.126 0.000 2.297 526 I HA 0.239 4.409 4.170 -0.000 0.000 0.291 526 I C 0.069 176.227 176.117 0.068 0.000 1.033 526 I CA -0.261 61.105 61.300 0.110 0.000 1.253 526 I CB 0.702 38.772 38.000 0.116 0.000 1.396 526 I HN 0.551 nan 8.210 nan 0.000 0.476 527 N N 5.396 124.126 118.700 0.050 0.000 2.476 527 N HA 0.279 5.019 4.740 -0.000 0.000 0.276 527 N C -0.006 175.524 175.510 0.033 0.000 1.204 527 N CA -0.262 52.809 53.050 0.035 0.000 0.974 527 N CB 0.713 39.213 38.487 0.022 0.000 1.204 527 N HN 0.462 nan 8.380 nan 0.000 0.543 528 N N -0.368 118.349 118.700 0.029 0.000 2.714 528 N HA -0.206 4.534 4.740 -0.000 0.000 0.253 528 N C -1.258 174.271 175.510 0.032 0.000 1.024 528 N CA 0.482 53.549 53.050 0.028 0.000 0.726 528 N CB -1.273 37.230 38.487 0.025 0.000 0.908 528 N HN 0.412 nan 8.380 nan 0.000 0.542 529 S N 0.020 115.740 115.700 0.034 0.000 2.499 529 S HA 0.470 4.940 4.470 -0.000 0.000 0.279 529 S C 1.400 176.019 174.600 0.032 0.000 1.219 529 S CA -0.716 57.505 58.200 0.035 0.000 1.062 529 S CB 0.969 64.190 63.200 0.036 0.000 0.978 529 S HN 0.332 nan 8.310 nan 0.000 0.489 530 L N 3.899 125.141 121.223 0.031 0.000 2.375 530 L HA 0.031 4.371 4.340 -0.000 0.000 0.215 530 L C 2.420 179.306 176.870 0.027 0.000 1.108 530 L CA 0.312 55.170 54.840 0.030 0.000 0.830 530 L CB -0.446 41.631 42.059 0.031 0.000 0.959 530 L HN 0.605 nan 8.230 nan 0.000 0.457 531 S N 0.617 116.333 115.700 0.026 0.000 2.354 531 S HA -0.222 4.248 4.470 -0.000 0.000 0.219 531 S C 1.736 176.350 174.600 0.023 0.000 1.035 531 S CA 1.358 59.572 58.200 0.023 0.000 1.037 531 S CB -0.270 62.943 63.200 0.022 0.000 0.956 531 S HN 0.345 nan 8.310 nan 0.000 0.428 532 I N 1.497 122.082 120.570 0.025 0.000 3.528 532 I HA 0.053 4.223 4.170 -0.000 0.000 0.298 532 I C 0.410 176.544 176.117 0.028 0.000 1.281 532 I CA -0.359 60.957 61.300 0.026 0.000 1.269 532 I CB -0.567 37.448 38.000 0.025 0.000 1.013 532 I HN 0.159 nan 8.210 nan 0.000 0.512 533 A N 0.858 123.695 122.820 0.028 0.000 2.306 533 A HA 0.321 4.641 4.320 -0.000 0.000 0.314 533 A C -0.533 177.068 177.584 0.028 0.000 1.164 533 A CA -0.682 51.372 52.037 0.030 0.000 0.822 533 A CB 0.289 19.308 19.000 0.031 0.000 1.130 533 A HN 0.432 nan 8.150 nan 0.000 0.496 534 D N 1.338 121.756 120.400 0.029 0.000 2.470 534 D HA 0.391 5.031 4.640 -0.000 0.000 0.226 534 D C -0.270 176.046 176.300 0.025 0.000 1.196 534 D CA 0.177 54.194 54.000 0.027 0.000 0.979 534 D CB 0.514 41.331 40.800 0.028 0.000 1.059 534 D HN 0.235 nan 8.370 nan 0.000 0.515 535 T N 0.833 115.401 114.554 0.023 0.000 2.971 535 T HA 0.395 4.745 4.350 -0.000 0.000 0.304 535 T C 0.225 174.934 174.700 0.016 0.000 1.038 535 T CA -0.798 61.315 62.100 0.021 0.000 1.007 535 T CB 0.995 69.879 68.868 0.026 0.000 1.055 535 T HN 0.120 nan 8.240 nan 0.000 0.451 536 R N 1.771 122.278 120.500 0.013 0.000 2.334 536 R HA 0.310 4.650 4.340 -0.000 0.000 0.212 536 R C 0.932 177.235 176.300 0.005 0.000 0.897 536 R CA -0.065 56.040 56.100 0.008 0.000 1.056 536 R CB 0.282 30.584 30.300 0.004 0.000 1.046 536 R HN 0.486 nan 8.270 nan 0.000 0.513 537 S N 2.875 118.580 115.700 0.009 0.000 2.509 537 S HA 0.064 4.534 4.470 -0.000 0.000 0.287 537 S C -1.294 173.311 174.600 0.009 0.000 1.248 537 S CA -1.369 56.836 58.200 0.008 0.000 1.089 537 S CB 0.643 63.854 63.200 0.018 0.000 0.900 537 S HN 0.070 nan 8.310 nan 0.000 0.496 538 P HA -0.175 nan 4.420 nan 0.000 0.216 538 P C 1.575 178.879 177.300 0.007 0.000 1.153 538 P CA 0.793 63.894 63.100 0.002 0.000 0.858 538 P CB 0.075 31.772 31.700 -0.005 0.000 0.789 539 L N -0.609 120.620 121.223 0.010 0.000 2.056 539 L HA -0.079 4.261 4.340 -0.000 0.000 0.207 539 L C 2.437 179.322 176.870 0.025 0.000 1.078 539 L CA 1.718 56.569 54.840 0.017 0.000 0.749 539 L CB -1.487 40.585 42.059 0.022 0.000 0.901 539 L HN -0.181 nan 8.230 nan 0.000 0.433 540 L N -0.497 120.743 121.223 0.029 0.000 2.141 540 L HA -0.131 4.209 4.340 -0.000 0.000 0.209 540 L C 2.703 179.588 176.870 0.025 0.000 1.094 540 L CA 1.438 56.298 54.840 0.032 0.000 0.763 540 L CB -1.293 40.787 42.059 0.036 0.000 0.908 540 L HN 0.379 nan 8.230 nan 0.000 0.437 541 R N -1.269 119.243 120.500 0.020 0.000 2.090 541 R HA -0.127 4.213 4.340 -0.000 0.000 0.228 541 R C 2.145 178.454 176.300 0.015 0.000 1.110 541 R CA 0.919 57.029 56.100 0.016 0.000 0.973 541 R CB -0.179 30.128 30.300 0.012 0.000 0.869 541 R HN 0.138 nan 8.270 nan 0.000 0.440 542 M N 0.378 119.987 119.600 0.014 0.000 2.200 542 M HA -0.054 4.426 4.480 -0.000 0.000 0.265 542 M C 1.779 178.089 176.300 0.016 0.000 1.066 542 M CA 1.567 56.875 55.300 0.013 0.000 1.127 542 M CB 0.030 32.637 32.600 0.012 0.000 1.379 542 M HN -0.163 nan 8.290 nan 0.000 0.420 543 R N 0.045 120.558 120.500 0.022 0.000 2.066 543 R HA 0.083 4.423 4.340 -0.000 0.000 0.232 543 R C 2.211 178.525 176.300 0.023 0.000 1.131 543 R CA 1.603 57.718 56.100 0.025 0.000 0.955 543 R CB -1.711 28.608 30.300 0.032 0.000 0.851 543 R HN 0.496 nan 8.270 nan 0.000 0.432 544 A N 0.932 123.766 122.820 0.023 0.000 1.978 544 A HA -0.228 4.092 4.320 -0.000 0.000 0.220 544 A C 2.111 179.707 177.584 0.018 0.000 1.170 544 A CA 1.666 53.717 52.037 0.022 0.000 0.636 544 A CB -0.511 18.502 19.000 0.022 0.000 0.810 544 A HN 0.447 nan 8.150 nan 0.000 0.448 545 Q N -1.156 118.654 119.800 0.015 0.000 2.297 545 Q HA -0.160 4.180 4.340 -0.000 0.000 0.204 545 Q C 1.762 177.769 176.000 0.012 0.000 0.962 545 Q CA 0.954 56.764 55.803 0.012 0.000 0.879 545 Q CB -0.035 28.709 28.738 0.009 0.000 0.947 545 Q HN 0.631 nan 8.270 nan 0.000 0.462 546 Q N 0.336 120.145 119.800 0.014 0.000 2.230 546 Q HA -0.131 4.209 4.340 -0.000 0.000 0.202 546 Q C 1.401 177.411 176.000 0.017 0.000 0.963 546 Q CA 1.097 56.909 55.803 0.014 0.000 0.866 546 Q CB 0.143 28.890 28.738 0.015 0.000 0.931 546 Q HN 0.588 nan 8.270 nan 0.000 0.452 547 E N 0.651 120.863 120.200 0.020 0.000 2.208 547 E HA -0.074 4.276 4.350 -0.000 0.000 0.193 547 E C 2.133 178.746 176.600 0.023 0.000 0.988 547 E CA 0.209 56.624 56.400 0.025 0.000 0.828 547 E CB -0.172 29.546 29.700 0.029 0.000 0.763 547 E HN 0.252 nan 8.360 nan 0.000 0.478 548 L N 0.955 122.187 121.223 0.016 0.000 2.030 548 L HA -0.225 4.115 4.340 -0.000 0.000 0.222 548 L C -0.439 176.435 176.870 0.007 0.000 1.082 548 L CA 1.834 56.680 54.840 0.010 0.000 0.785 548 L CB -1.806 40.256 42.059 0.005 0.000 0.895 548 L HN 0.183 nan 8.230 nan 0.000 0.439 549 P HA -0.111 nan 4.420 nan 0.000 0.220 549 P C 1.393 178.702 177.300 0.014 0.000 1.152 549 P CA 0.886 63.988 63.100 0.004 0.000 0.812 549 P CB 0.107 31.809 31.700 0.005 0.000 0.792 550 Q N -0.332 119.485 119.800 0.028 0.000 1.990 550 Q HA -0.083 4.257 4.340 -0.000 0.000 0.200 550 Q C 2.193 178.223 176.000 0.050 0.000 0.980 550 Q CA 1.452 57.285 55.803 0.050 0.000 0.832 550 Q CB -1.207 27.565 28.738 0.056 0.000 0.897 550 Q HN 0.204 nan 8.270 nan 0.000 0.427 551 I N 0.601 121.195 120.570 0.040 0.000 2.264 551 I HA -0.273 3.897 4.170 -0.000 0.000 0.248 551 I C 2.303 178.422 176.117 0.003 0.000 1.111 551 I CA 1.044 62.364 61.300 0.033 0.000 1.382 551 I CB -0.191 37.826 38.000 0.028 0.000 1.060 551 I HN 0.268 nan 8.210 nan 0.000 0.418 552 E N 0.524 120.719 120.200 -0.008 0.000 2.072 552 E HA -0.156 4.194 4.350 -0.000 0.000 0.191 552 E C 2.355 178.917 176.600 -0.063 0.000 0.985 552 E CA 1.142 57.521 56.400 -0.034 0.000 0.801 552 E CB -0.024 29.659 29.700 -0.030 0.000 0.750 552 E HN 0.335 nan 8.360 nan 0.000 0.452 553 S N 0.206 115.878 115.700 -0.047 0.000 2.359 553 S HA -0.161 4.309 4.470 -0.000 0.000 0.223 553 S C 2.188 176.692 174.600 -0.161 0.000 1.039 553 S CA 1.365 59.509 58.200 -0.094 0.000 1.042 553 S CB -0.349 62.857 63.200 0.010 0.000 0.915 553 S HN 0.096 nan 8.310 nan 0.000 0.439 554 V N 1.875 121.761 119.914 -0.047 0.000 2.282 554 V HA -0.258 3.862 4.120 -0.000 0.000 0.249 554 V C 2.382 178.325 176.094 -0.252 0.000 1.057 554 V CA 2.207 64.417 62.300 -0.150 0.000 1.032 554 V CB -0.546 31.247 31.823 -0.050 0.000 0.645 554 V HN 0.466 nan 8.190 nan 0.000 0.447 555 K N -0.656 119.649 120.400 -0.159 0.000 2.103 555 K HA -0.113 4.207 4.320 -0.000 0.000 0.204 555 K C 2.290 178.787 176.600 -0.171 0.000 1.052 555 K CA 0.852 57.047 56.287 -0.152 0.000 0.945 555 K CB 0.038 32.482 32.500 -0.093 0.000 0.722 555 K HN 0.240 nan 8.250 nan 0.000 0.443 556 R N -0.100 120.294 120.500 -0.177 0.000 2.210 556 R HA 0.009 4.349 4.340 -0.000 0.000 0.203 556 R C 1.631 177.795 176.300 -0.228 0.000 1.010 556 R CA 0.919 56.916 56.100 -0.172 0.000 1.008 556 R CB 0.172 30.389 30.300 -0.139 0.000 0.923 556 R HN 0.420 nan 8.270 nan 0.000 0.469 557 Q N -1.294 118.292 119.800 -0.357 0.000 2.143 557 Q HA 0.077 4.417 4.340 -0.000 0.000 0.242 557 Q C 0.508 176.155 176.000 -0.588 0.000 0.790 557 Q CA 0.137 55.661 55.803 -0.466 0.000 0.954 557 Q CB 0.776 29.177 28.738 -0.562 0.000 1.155 557 Q HN 0.422 nan 8.270 nan 0.000 0.474 558 H N -0.994 117.856 119.070 -0.367 0.000 2.501 558 H HA 0.460 5.016 4.556 -0.000 0.000 0.281 558 H C 0.028 174.924 175.328 -0.720 0.000 0.988 558 H CA 0.366 56.065 56.048 -0.583 0.000 1.232 558 H CB 1.192 30.359 29.762 -0.993 0.000 1.455 558 H HN 0.134 nan 8.280 nan 0.000 0.501 559 A N 0.000 122.445 122.820 -0.626 0.000 2.350 559 A HA 0.428 4.748 4.320 -0.000 0.000 0.324 559 A C 0.691 178.135 177.584 -0.233 0.000 1.118 559 A CA -0.525 51.210 52.037 -0.503 0.000 0.783 559 A CB 1.322 19.943 19.000 -0.632 0.000 1.236 559 A HN 0.228 nan 8.150 nan 0.000 0.457 560 S N 0.673 116.286 115.700 -0.145 0.000 2.383 560 S HA -0.017 4.453 4.470 -0.000 0.000 0.227 560 S C 0.831 175.301 174.600 -0.217 0.000 1.026 560 S CA 1.228 59.326 58.200 -0.170 0.000 0.981 560 S CB -0.119 62.963 63.200 -0.196 0.000 0.818 560 S HN 0.728 nan 8.310 nan 0.000 0.472 561 R N -0.232 120.126 120.500 -0.236 0.000 2.771 561 R HA 0.707 5.047 4.340 -0.000 0.000 0.274 561 R C -1.633 174.610 176.300 -0.094 0.000 0.987 561 R CA -0.613 55.350 56.100 -0.227 0.000 0.908 561 R CB 2.115 32.152 30.300 -0.438 0.000 1.213 561 R HN -0.046 nan 8.270 nan 0.000 0.468 562 V N 0.204 120.089 119.914 -0.048 0.000 3.007 562 V HA 0.870 4.990 4.120 -0.000 0.000 0.311 562 V C -0.866 175.256 176.094 0.045 0.000 1.120 562 V CA -1.032 61.287 62.300 0.032 0.000 0.980 562 V CB 2.019 33.847 31.823 0.010 0.000 1.033 562 V HN 0.937 nan 8.190 nan 0.000 0.429 563 A N 3.246 126.116 122.820 0.082 0.000 2.393 563 A HA 0.854 5.174 4.320 -0.000 0.000 0.306 563 A C -1.337 176.288 177.584 0.068 0.000 1.050 563 A CA -0.518 51.561 52.037 0.070 0.000 0.724 563 A CB 1.639 20.687 19.000 0.080 0.000 1.248 563 A HN 0.783 nan 8.150 nan 0.000 0.424 564 L N 3.713 124.966 121.223 0.050 0.000 2.298 564 L HA 0.545 4.885 4.340 -0.000 0.000 0.284 564 L C -1.072 175.821 176.870 0.039 0.000 1.013 564 L CA -0.491 54.376 54.840 0.046 0.000 0.824 564 L CB 1.373 43.453 42.059 0.035 0.000 1.221 564 L HN 0.543 nan 8.230 nan 0.000 0.418 565 V N 6.311 126.249 119.914 0.041 0.000 2.630 565 V HA 0.587 4.707 4.120 -0.000 0.000 0.305 565 V C -2.164 173.949 176.094 0.033 0.000 1.046 565 V CA -1.439 60.882 62.300 0.034 0.000 0.934 565 V CB 1.975 33.817 31.823 0.032 0.000 1.003 565 V HN 0.645 nan 8.190 nan 0.000 0.451 566 P HA 0.341 nan 4.420 nan 0.000 0.285 566 P C -0.799 176.519 177.300 0.029 0.000 1.280 566 P CA -0.596 62.522 63.100 0.030 0.000 0.862 566 P CB 1.843 33.561 31.700 0.031 0.000 1.153 567 V N 3.707 123.639 119.914 0.030 0.000 2.403 567 V HA -0.048 4.072 4.120 -0.000 0.000 0.265 567 V C 2.196 178.308 176.094 0.030 0.000 1.034 567 V CA 0.385 62.703 62.300 0.030 0.000 1.036 567 V CB -0.538 31.305 31.823 0.033 0.000 1.032 567 V HN 0.566 nan 8.190 nan 0.000 0.478 568 L N 5.388 126.628 121.223 0.028 0.000 2.012 568 L HA -0.014 4.326 4.340 -0.000 0.000 0.210 568 L C 1.567 178.455 176.870 0.031 0.000 1.073 568 L CA 1.546 56.402 54.840 0.027 0.000 0.748 568 L CB -0.122 41.951 42.059 0.023 0.000 0.891 568 L HN 0.916 nan 8.230 nan 0.000 0.431 569 A N -0.346 122.494 122.820 0.033 0.000 2.632 569 A HA -0.056 4.264 4.320 -0.000 0.000 0.294 569 A C 0.392 177.997 177.584 0.036 0.000 1.447 569 A CA 0.730 52.790 52.037 0.039 0.000 0.728 569 A CB -1.733 17.293 19.000 0.044 0.000 1.102 569 A HN 0.626 nan 8.150 nan 0.000 0.422 570 S N -1.388 114.331 115.700 0.031 0.000 2.931 570 S HA 0.293 4.763 4.470 -0.000 0.000 0.276 570 S C -1.024 173.589 174.600 0.022 0.000 0.709 570 S CA 0.135 58.352 58.200 0.028 0.000 0.744 570 S CB 0.263 63.480 63.200 0.027 0.000 0.942 570 S HN 1.332 nan 8.310 nan 0.000 0.570 571 E N 4.035 124.247 120.200 0.020 0.000 2.328 571 E HA 0.298 4.648 4.350 -0.000 0.000 0.265 571 E C -2.223 174.386 176.600 0.015 0.000 1.057 571 E CA -1.633 54.778 56.400 0.017 0.000 0.916 571 E CB 0.634 30.345 29.700 0.017 0.000 0.993 571 E HN 0.312 nan 8.360 nan 0.000 0.446 572 P HA -0.018 nan 4.420 nan 0.000 0.238 572 P C -0.056 177.245 177.300 0.001 0.000 1.649 572 P CA 0.481 63.584 63.100 0.004 0.000 0.960 572 P CB 0.209 31.910 31.700 0.002 0.000 1.911 573 T N -1.430 113.130 114.554 0.011 0.000 2.939 573 T HA 0.063 4.413 4.350 -0.000 0.000 0.254 573 T C 1.193 175.904 174.700 0.018 0.000 1.041 573 T CA 0.818 62.931 62.100 0.022 0.000 1.142 573 T CB -0.116 68.773 68.868 0.036 0.000 0.874 573 T HN 0.250 nan 8.240 nan 0.000 0.452 574 G N 1.261 110.069 108.800 0.012 0.000 2.395 574 G HA2 0.447 4.407 3.960 -0.000 0.000 0.283 574 G HA3 0.447 4.407 3.960 -0.000 0.000 0.283 574 G C 1.061 175.918 174.900 -0.071 0.000 1.178 574 G CA -0.703 44.394 45.100 -0.004 0.000 0.837 574 G HN 0.553 nan 8.290 nan 0.000 0.518 575 I N -0.847 119.622 120.570 -0.168 0.000 2.953 575 I HA -0.092 4.078 4.170 -0.000 0.000 0.271 575 I C 1.010 177.083 176.117 -0.073 0.000 1.286 575 I CA 0.950 62.156 61.300 -0.158 0.000 1.449 575 I CB -0.064 37.803 38.000 -0.222 0.000 1.086 575 I HN 0.206 nan 8.210 nan 0.000 0.483 576 D N 2.383 122.758 120.400 -0.041 0.000 2.075 576 D HA -0.124 4.516 4.640 -0.000 0.000 0.196 576 D C 2.032 178.325 176.300 -0.011 0.000 0.985 576 D CA 1.469 55.460 54.000 -0.016 0.000 0.834 576 D CB -0.151 40.649 40.800 -0.000 0.000 0.987 576 D HN 0.254 nan 8.370 nan 0.000 0.452 577 K N 0.222 120.617 120.400 -0.007 0.000 2.362 577 K HA -0.017 4.303 4.320 -0.000 0.000 0.200 577 K C 1.752 178.348 176.600 -0.006 0.000 1.046 577 K CA 0.073 56.360 56.287 0.000 0.000 0.952 577 K CB -0.355 32.149 32.500 0.006 0.000 0.753 577 K HN 0.032 nan 8.250 nan 0.000 0.466 578 L N 1.011 122.221 121.223 -0.021 0.000 2.109 578 L HA -0.074 4.266 4.340 -0.000 0.000 0.207 578 L C 1.472 178.331 176.870 -0.020 0.000 1.086 578 L CA 1.753 56.577 54.840 -0.027 0.000 0.760 578 L CB -0.121 41.906 42.059 -0.054 0.000 0.910 578 L HN 0.028 nan 8.230 nan 0.000 0.437 579 K N -1.226 119.161 120.400 -0.020 0.000 2.288 579 K HA -0.114 4.206 4.320 -0.000 0.000 0.201 579 K C 1.974 178.577 176.600 0.006 0.000 1.048 579 K CA 0.785 57.066 56.287 -0.010 0.000 0.956 579 K CB 0.002 32.495 32.500 -0.013 0.000 0.746 579 K HN 0.471 nan 8.250 nan 0.000 0.461 580 Q N 0.579 120.384 119.800 0.008 0.000 2.172 580 Q HA -0.044 4.295 4.340 -0.000 0.000 0.200 580 Q C 2.039 178.055 176.000 0.025 0.000 0.964 580 Q CA 0.819 56.634 55.803 0.020 0.000 0.855 580 Q CB 0.004 28.753 28.738 0.019 0.000 0.918 580 Q HN 0.309 nan 8.270 nan 0.000 0.444 581 L N 0.109 121.342 121.223 0.018 0.000 2.079 581 L HA -0.208 4.132 4.340 -0.000 0.000 0.210 581 L C 2.480 179.364 176.870 0.024 0.000 1.081 581 L CA 1.032 55.884 54.840 0.020 0.000 0.752 581 L CB -0.659 41.407 42.059 0.012 0.000 0.896 581 L HN 0.214 nan 8.230 nan 0.000 0.433 582 A N -0.401 122.432 122.820 0.022 0.000 1.933 582 A HA 0.164 4.484 4.320 -0.000 0.000 0.218 582 A C 1.635 179.241 177.584 0.037 0.000 1.175 582 A CA 1.359 53.412 52.037 0.026 0.000 0.628 582 A CB -0.724 18.287 19.000 0.020 0.000 0.814 582 A HN 0.544 nan 8.150 nan 0.000 0.444 583 G N -0.604 108.229 108.800 0.056 0.000 2.512 583 G HA2 -0.118 3.842 3.960 -0.000 0.000 0.254 583 G HA3 -0.118 3.842 3.960 -0.000 0.000 0.254 583 G C -0.093 174.890 174.900 0.138 0.000 1.199 583 G CA 0.392 45.542 45.100 0.083 0.000 0.941 583 G HN 1.852 nan 8.290 nan 0.000 0.569 584 H N -0.352 118.720 119.070 0.003 0.000 3.046 584 H HA 0.657 5.213 4.556 -0.000 0.000 0.363 584 H C -1.458 173.864 175.328 -0.009 0.000 1.203 584 H CA -0.317 55.714 56.048 -0.029 0.000 1.169 584 H CB 1.495 31.188 29.762 -0.114 0.000 1.851 584 H HN 0.976 nan 8.280 nan 0.000 0.546 585 H N 3.445 122.494 119.070 -0.035 0.000 2.638 585 H HA 0.181 4.737 4.556 -0.000 0.000 0.317 585 H C -0.800 174.537 175.328 0.016 0.000 1.006 585 H CA -0.481 55.556 56.048 -0.019 0.000 1.222 585 H CB 0.614 30.399 29.762 0.038 0.000 1.419 585 H HN 0.647 nan 8.280 nan 0.000 0.489 586 H N 3.724 122.681 119.070 -0.189 0.000 2.964 586 H HA -0.073 4.483 4.556 -0.000 0.000 0.328 586 H C 0.262 175.421 175.328 -0.283 0.000 1.030 586 H CA 0.346 56.323 56.048 -0.118 0.000 1.445 586 H CB 0.417 30.152 29.762 -0.044 0.000 1.449 586 H HN 0.656 nan 8.280 nan 0.000 0.581 587 H N 3.522 122.568 119.070 -0.040 0.000 2.815 587 H HA 0.143 4.699 4.556 -0.000 0.000 0.350 587 H C -0.232 175.073 175.328 -0.038 0.000 1.080 587 H CA 0.051 56.060 56.048 -0.065 0.000 1.433 587 H CB 0.250 30.038 29.762 0.044 0.000 1.432 587 H HN 0.828 nan 8.280 nan 0.000 0.592 588 H N 0.692 119.441 119.070 -0.533 0.000 2.942 588 H HA 0.440 4.996 4.556 -0.000 0.000 0.316 588 H C -0.935 174.253 175.328 -0.234 0.000 1.323 588 H CA -1.005 54.750 56.048 -0.490 0.000 1.144 588 H CB 0.723 30.358 29.762 -0.212 0.000 1.866 588 H HN 0.740 nan 8.280 nan 0.000 0.545 589 H N 0.000 119.109 119.070 0.065 0.000 2.539 589 H HA 0.000 4.556 4.556 -0.000 0.000 0.296 589 H CA 0.000 56.105 56.048 0.094 0.000 1.023 589 H CB 0.000 29.782 29.762 0.033 0.000 1.292 589 H HN 0.000 nan 8.280 nan 0.000 0.496