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 1gtr_1_A DATA FIRST_RESID 8 DATA SEQUENCE TNFIRQIIDE DLASGKHTTV HTRFPPEPNG YLHIGHAKSI CLNFGIAQDY DATA SEQUENCE KGQCNLRFDD TNPVKEDIEY VESIKNDVEW LGFHWSGNVR YSSDYFDQLH DATA SEQUENCE AYAIELINKG LAYVDELTPE QIREYRGTLT QPGKNSPYRD RSVEENLALF DATA SEQUENCE EKMRAGGFEE GKACLRAKID MASPFIVMRD PVLYRIKFAE HHQTGNKWCI DATA SEQUENCE YPMYDFTHCI SDALEGITHS LCTLEFQDNR RLYDWVLDNI TIPVHPRQYE DATA SEQUENCE FSRLNLEYTV MSKRKLNLLV TDKHVEGWDD PRMPTISGLR RRGYTAASIR DATA SEQUENCE EFCKRIGVTK QDNTIEMASL ESCIREDLNE NAPRAMAVID PVKLVIENYQ DATA SEQUENCE GEGEMVTMPN HPNKPEMGSR QVPFSGEIWI DRADFREEAN KQYKRLVLGK DATA SEQUENCE EVRLRNAYVI KAERVEKDAE GNITTIFCTY DADTLXXXXX XXXXXXGVIH DATA SEQUENCE WVSAAHALPV EIRLYDRLFS VPNPGAADDF LSVINPESLV IKQGFAEPSL DATA SEQUENCE KDAVAGKAFQ FEREGYFCLD SRHSTAEKPV FNRTVGLRDT 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 8 T HA 0.000 nan 4.350 nan 0.000 0.228 8 T C 0.000 174.698 174.700 -0.003 0.000 1.109 8 T CA 0.000 62.095 62.100 -0.008 0.000 1.349 8 T CB 0.000 68.868 68.868 -0.001 0.000 0.612 9 N N 0.594 119.287 118.700 -0.011 0.000 3.243 9 N HA 0.487 5.226 4.740 -0.002 0.000 0.280 9 N C 0.635 176.169 175.510 0.041 0.000 1.545 9 N CA -0.708 52.362 53.050 0.033 0.000 0.854 9 N CB -0.035 38.455 38.487 0.004 0.000 1.612 9 N HN 0.504 nan 8.380 nan 0.000 0.577 10 F N -0.613 119.311 119.950 -0.043 0.000 2.216 10 F HA 0.270 4.796 4.527 -0.002 0.000 0.300 10 F C 1.307 177.042 175.800 -0.108 0.000 1.085 10 F CA 0.739 58.709 58.000 -0.051 0.000 1.326 10 F CB -0.560 38.428 39.000 -0.019 0.000 1.027 10 F HN 0.388 nan 8.300 nan 0.000 0.497 11 I N 0.503 120.552 120.570 -0.868 0.000 2.353 11 I HA -0.144 4.025 4.170 -0.002 0.000 0.248 11 I C 2.497 178.312 176.117 -0.502 0.000 1.119 11 I CA 1.032 61.846 61.300 -0.810 0.000 1.417 11 I CB -0.437 37.061 38.000 -0.837 0.000 1.078 11 I HN 0.098 nan 8.210 nan 0.000 0.421 12 R N 0.342 120.648 120.500 -0.324 0.000 2.148 12 R HA -0.100 4.239 4.340 -0.002 0.000 0.223 12 R C 2.205 178.433 176.300 -0.120 0.000 1.088 12 R CA 0.854 56.840 56.100 -0.190 0.000 0.985 12 R CB -0.142 30.130 30.300 -0.046 0.000 0.880 12 R HN 0.448 nan 8.270 nan 0.000 0.451 13 Q N 0.342 120.080 119.800 -0.104 0.000 2.167 13 Q HA -0.066 4.273 4.340 -0.002 0.000 0.202 13 Q C 2.000 177.946 176.000 -0.089 0.000 0.970 13 Q CA 1.076 56.847 55.803 -0.053 0.000 0.855 13 Q CB 0.059 28.793 28.738 -0.007 0.000 0.911 13 Q HN 0.364 nan 8.270 nan 0.000 0.438 14 I N 0.295 120.754 120.570 -0.185 0.000 2.252 14 I HA -0.272 3.897 4.170 -0.002 0.000 0.245 14 I C 2.056 178.043 176.117 -0.217 0.000 1.102 14 I CA 1.127 62.294 61.300 -0.223 0.000 1.385 14 I CB -0.149 37.574 38.000 -0.461 0.000 1.064 14 I HN 0.208 nan 8.210 nan 0.000 0.414 15 I N 0.539 120.889 120.570 -0.367 0.000 2.394 15 I HA -0.272 3.897 4.170 -0.002 0.000 0.251 15 I C 1.960 177.992 176.117 -0.142 0.000 1.136 15 I CA 1.168 62.222 61.300 -0.410 0.000 1.425 15 I CB -0.428 37.111 38.000 -0.768 0.000 1.079 15 I HN 0.246 nan 8.210 nan 0.000 0.425 16 D N 0.863 121.234 120.400 -0.049 0.000 2.117 16 D HA -0.169 4.470 4.640 -0.002 0.000 0.198 16 D C 2.031 178.353 176.300 0.037 0.000 0.982 16 D CA 1.214 55.247 54.000 0.055 0.000 0.828 16 D CB -0.179 40.658 40.800 0.062 0.000 0.967 16 D HN 0.424 nan 8.370 nan 0.000 0.464 17 E N 0.446 120.655 120.200 0.014 0.000 2.150 17 E HA -0.146 4.203 4.350 -0.002 0.000 0.193 17 E C 1.428 178.055 176.600 0.046 0.000 0.985 17 E CA 0.860 57.276 56.400 0.026 0.000 0.814 17 E CB 0.077 29.788 29.700 0.019 0.000 0.752 17 E HN 0.197 nan 8.360 nan 0.000 0.466 18 D N 0.022 120.465 120.400 0.073 0.000 2.149 18 D HA -0.099 4.540 4.640 -0.002 0.000 0.201 18 D C 1.593 177.962 176.300 0.114 0.000 0.972 18 D CA 0.627 54.704 54.000 0.128 0.000 0.835 18 D CB 0.057 41.041 40.800 0.306 0.000 0.966 18 D HN 0.021 nan 8.370 nan 0.000 0.476 19 L N 0.454 121.744 121.223 0.111 0.000 2.072 19 L HA 0.088 4.427 4.340 -0.002 0.000 0.205 19 L C 2.270 179.181 176.870 0.068 0.000 1.079 19 L CA 1.020 55.922 54.840 0.105 0.000 0.752 19 L CB -1.046 41.084 42.059 0.119 0.000 0.906 19 L HN -0.047 nan 8.230 nan 0.000 0.436 20 A N -0.592 122.261 122.820 0.056 0.000 1.877 20 A HA -0.204 4.115 4.320 -0.002 0.000 0.216 20 A C 2.475 180.075 177.584 0.027 0.000 1.186 20 A CA 1.986 54.046 52.037 0.038 0.000 0.620 20 A CB -0.892 18.127 19.000 0.032 0.000 0.822 20 A HN 0.518 nan 8.150 nan 0.000 0.443 21 S N -1.825 113.890 115.700 0.024 0.000 2.453 21 S HA 0.296 4.765 4.470 -0.002 0.000 0.231 21 S C 1.535 176.135 174.600 0.001 0.000 1.005 21 S CA 1.298 59.504 58.200 0.010 0.000 0.949 21 S CB -0.436 62.768 63.200 0.007 0.000 0.774 21 S HN 2.012 nan 8.310 nan 0.000 0.510 22 G N 1.438 110.242 108.800 0.007 0.000 2.141 22 G HA2 -0.303 3.656 3.960 -0.002 0.000 0.231 22 G HA3 -0.303 3.656 3.960 -0.002 0.000 0.231 22 G C 0.626 175.500 174.900 -0.043 0.000 0.984 22 G CA 0.476 45.574 45.100 -0.003 0.000 0.660 22 G HN 0.576 nan 8.290 nan 0.000 0.525 23 K N -0.465 119.886 120.400 -0.082 0.000 2.097 23 K HA -0.064 4.255 4.320 -0.002 0.000 0.206 23 K C 0.771 177.110 176.600 -0.436 0.000 1.049 23 K CA 1.223 57.367 56.287 -0.239 0.000 0.933 23 K CB -0.061 32.294 32.500 -0.242 0.000 0.717 23 K HN 0.587 nan 8.250 nan 0.000 0.442 24 H N -2.204 116.885 119.070 0.032 0.000 2.894 24 H HA 0.119 4.674 4.556 -0.002 0.000 0.368 24 H C 0.366 175.719 175.328 0.041 0.000 1.181 24 H CA 0.099 56.168 56.048 0.035 0.000 1.146 24 H CB 2.140 31.935 29.762 0.054 0.000 1.839 24 H HN 0.107 nan 8.280 nan 0.000 0.557 25 T N -2.691 111.975 114.554 0.187 0.000 2.955 25 T HA 0.199 4.548 4.350 -0.002 0.000 0.251 25 T C 0.362 175.128 174.700 0.111 0.000 1.002 25 T CA 0.138 62.308 62.100 0.118 0.000 0.970 25 T CB 0.355 69.272 68.868 0.080 0.000 1.091 25 T HN 0.417 nan 8.240 nan 0.000 0.495 26 T N 2.286 116.910 114.554 0.116 0.000 2.906 26 T HA 0.683 5.032 4.350 -0.002 0.000 0.295 26 T C -0.851 173.868 174.700 0.031 0.000 1.075 26 T CA -0.650 61.494 62.100 0.073 0.000 1.005 26 T CB 2.260 71.163 68.868 0.059 0.000 1.136 26 T HN 0.438 nan 8.240 nan 0.000 0.498 27 V N 0.004 119.919 119.914 0.002 0.000 2.483 27 V HA 0.690 4.809 4.120 -0.002 0.000 0.295 27 V C -0.885 175.212 176.094 0.005 0.000 1.035 27 V CA -0.639 61.641 62.300 -0.035 0.000 0.896 27 V CB 1.226 32.958 31.823 -0.152 0.000 0.986 27 V HN 1.037 nan 8.190 nan 0.000 0.447 28 H N 3.055 122.080 119.070 -0.075 0.000 2.906 28 H HA 0.675 5.230 4.556 -0.001 0.000 0.324 28 H C 0.031 175.315 175.328 -0.074 0.000 0.973 28 H CA 0.043 56.050 56.048 -0.068 0.000 1.321 28 H CB 1.520 31.245 29.762 -0.062 0.000 1.535 28 H HN 1.120 nan 8.280 nan 0.000 0.518 29 T N 2.023 116.655 114.554 0.129 0.000 2.870 29 T HA 0.620 4.969 4.350 -0.002 0.000 0.277 29 T C -0.323 174.376 174.700 -0.001 0.000 1.000 29 T CA -1.121 60.994 62.100 0.024 0.000 0.982 29 T CB 2.125 70.948 68.868 -0.075 0.000 1.249 29 T HN 0.623 nan 8.240 nan 0.000 0.589 30 R N -0.054 120.409 120.500 -0.062 0.000 2.710 30 R HA 0.514 4.853 4.340 -0.002 0.000 0.270 30 R C -2.398 173.877 176.300 -0.042 0.000 1.021 30 R CA -1.003 55.035 56.100 -0.104 0.000 0.889 30 R CB 0.871 31.120 30.300 -0.084 0.000 1.243 30 R HN 0.689 nan 8.270 nan 0.000 0.464 31 F N 4.403 124.211 119.950 -0.235 0.000 2.402 31 F HA 0.599 5.125 4.527 -0.001 0.000 0.355 31 F C -2.315 173.411 175.800 -0.123 0.000 1.123 31 F CA -2.659 55.271 58.000 -0.116 0.000 1.021 31 F CB 2.158 41.145 39.000 -0.021 0.000 1.160 31 F HN 0.371 nan 8.300 nan 0.000 0.451 32 P HA 0.298 nan 4.420 nan 0.000 0.195 32 P C -3.082 173.888 177.300 -0.551 0.000 1.887 32 P CA -1.671 61.154 63.100 -0.458 0.000 1.161 32 P CB 0.817 32.459 31.700 -0.097 0.000 1.759 33 P HA 0.207 nan 4.420 nan 0.000 0.280 33 P C -0.137 177.040 177.300 -0.204 0.000 1.244 33 P CA -0.044 62.720 63.100 -0.559 0.000 0.784 33 P CB 1.534 32.827 31.700 -0.679 0.000 0.913 34 E N 4.445 124.591 120.200 -0.089 0.000 2.316 34 E HA 0.131 4.480 4.350 -0.002 0.000 0.275 34 E C -1.730 174.872 176.600 0.005 0.000 1.029 34 E CA -2.260 54.152 56.400 0.020 0.000 0.871 34 E CB 0.647 30.365 29.700 0.031 0.000 1.022 34 E HN 0.308 nan 8.360 nan 0.000 0.418 35 P HA 0.057 nan 4.420 nan 0.000 0.220 35 P C -0.781 176.505 177.300 -0.024 0.000 1.806 35 P CA -0.057 63.037 63.100 -0.011 0.000 0.976 35 P CB -0.400 31.239 31.700 -0.103 0.000 1.952 36 N N 0.553 119.149 118.700 -0.174 0.000 2.275 36 N HA 0.275 5.014 4.740 -0.002 0.000 0.236 36 N C 0.346 175.438 175.510 -0.696 0.000 1.154 36 N CA -0.562 52.349 53.050 -0.232 0.000 0.866 36 N CB 0.780 39.233 38.487 -0.056 0.000 1.093 36 N HN 0.238 nan 8.380 nan 0.000 0.515 37 G N -0.674 107.361 108.800 -1.276 0.000 2.315 37 G HA2 0.264 4.223 3.960 -0.002 0.000 0.294 37 G HA3 0.264 4.223 3.960 -0.002 0.000 0.294 37 G C -2.156 172.132 174.900 -1.020 0.000 1.300 37 G CA -0.895 43.354 45.100 -1.418 0.000 0.843 37 G HN -0.019 nan 8.290 nan 0.000 0.527 38 Y N -0.566 118.985 120.300 -1.247 0.000 2.307 38 Y HA 0.630 5.179 4.550 -0.002 0.000 0.324 38 Y C 0.938 176.687 175.900 -0.251 0.000 1.238 38 Y CA -0.667 57.083 58.100 -0.583 0.000 1.280 38 Y CB 1.207 39.415 38.460 -0.421 0.000 1.248 38 Y HN 0.439 nan 8.280 nan 0.000 0.508 39 L N 3.150 124.345 121.223 -0.046 0.000 2.461 39 L HA 0.129 4.468 4.340 -0.002 0.000 0.272 39 L C 0.059 177.068 176.870 0.232 0.000 1.197 39 L CA 0.269 55.083 54.840 -0.044 0.000 0.836 39 L CB -0.085 41.954 42.059 -0.034 0.000 1.105 39 L HN 0.841 nan 8.230 nan 0.000 0.477 40 H N 0.326 119.686 119.070 0.484 0.000 2.949 40 H HA 0.384 4.939 4.556 -0.002 0.000 0.310 40 H C 0.650 176.121 175.328 0.239 0.000 1.405 40 H CA -0.881 55.348 56.048 0.302 0.000 1.253 40 H CB -0.047 29.869 29.762 0.257 0.000 1.932 40 H HN 0.365 nan 8.280 nan 0.000 0.602 41 I N 0.614 121.421 120.570 0.395 0.000 2.454 41 I HA -0.015 4.154 4.170 -0.002 0.000 0.254 41 I C 2.097 178.417 176.117 0.338 0.000 1.156 41 I CA 2.025 63.496 61.300 0.285 0.000 1.433 41 I CB -0.913 37.174 38.000 0.144 0.000 1.082 41 I HN 0.867 nan 8.210 nan 0.000 0.432 42 G N -0.933 108.129 108.800 0.437 0.000 2.402 42 G HA2 -0.271 3.688 3.960 -0.002 0.000 0.216 42 G HA3 -0.271 3.688 3.960 -0.002 0.000 0.216 42 G C 1.480 176.528 174.900 0.246 0.000 1.162 42 G CA 1.085 46.371 45.100 0.309 0.000 0.777 42 G HN 0.544 nan 8.290 nan 0.000 0.539 43 H N 0.480 119.721 119.070 0.284 0.000 2.421 43 H HA 0.149 4.704 4.556 -0.002 0.000 0.298 43 H C 2.812 178.161 175.328 0.036 0.000 1.087 43 H CA 0.890 57.034 56.048 0.159 0.000 1.330 43 H CB 0.134 29.942 29.762 0.077 0.000 1.388 43 H HN 0.425 nan 8.280 nan 0.000 0.526 44 A N 0.991 123.931 122.820 0.200 0.000 2.015 44 A HA -0.176 4.143 4.320 -0.002 0.000 0.219 44 A C 2.143 179.772 177.584 0.076 0.000 1.163 44 A CA 1.447 53.550 52.037 0.111 0.000 0.646 44 A CB -0.341 18.776 19.000 0.194 0.000 0.806 44 A HN 0.373 nan 8.150 nan 0.000 0.448 45 K N -0.399 120.074 120.400 0.123 0.000 2.148 45 K HA -0.087 4.232 4.320 -0.002 0.000 0.204 45 K C 2.169 178.770 176.600 0.002 0.000 1.050 45 K CA 1.473 57.799 56.287 0.066 0.000 0.942 45 K CB -0.160 32.412 32.500 0.119 0.000 0.724 45 K HN 0.398 nan 8.250 nan 0.000 0.446 46 S N 0.369 116.127 115.700 0.097 0.000 2.414 46 S HA 0.015 4.484 4.470 -0.002 0.000 0.227 46 S C 1.862 176.405 174.600 -0.095 0.000 1.022 46 S CA 0.456 58.732 58.200 0.126 0.000 0.958 46 S CB -0.133 63.337 63.200 0.450 0.000 0.797 46 S HN 0.333 nan 8.310 nan 0.000 0.493 47 I N 0.980 121.354 120.570 -0.325 0.000 2.202 47 I HA -0.194 3.975 4.170 -0.002 0.000 0.242 47 I C 2.418 178.307 176.117 -0.380 0.000 1.091 47 I CA 0.955 62.008 61.300 -0.411 0.000 1.368 47 I CB -0.531 37.160 38.000 -0.515 0.000 1.058 47 I HN 0.397 nan 8.210 nan 0.000 0.410 48 C N 0.392 119.520 119.300 -0.286 0.000 2.422 48 C HA -0.140 4.319 4.460 -0.002 0.000 0.279 48 C C 2.712 177.575 174.990 -0.211 0.000 1.305 48 C CA 0.512 59.391 59.018 -0.233 0.000 1.757 48 C CB -0.938 26.797 27.740 -0.008 0.000 1.962 48 C HN 0.482 nan 8.230 nan 0.000 0.499 49 L N 0.884 121.977 121.223 -0.216 0.000 2.007 49 L HA -0.091 4.248 4.340 -0.002 0.000 0.205 49 L C 2.415 179.159 176.870 -0.211 0.000 1.073 49 L CA 1.642 56.335 54.840 -0.244 0.000 0.744 49 L CB -0.617 41.208 42.059 -0.390 0.000 0.898 49 L HN 0.412 nan 8.230 nan 0.000 0.435 50 N N -0.275 118.307 118.700 -0.196 0.000 2.106 50 N HA -0.160 4.579 4.740 -0.002 0.000 0.188 50 N C 1.752 177.099 175.510 -0.272 0.000 1.029 50 N CA 1.487 54.410 53.050 -0.211 0.000 0.848 50 N CB -0.289 38.090 38.487 -0.180 0.000 1.007 50 N HN 0.240 nan 8.380 nan 0.000 0.423 51 F N 0.878 120.626 119.950 -0.338 0.000 2.293 51 F HA 0.109 4.635 4.527 -0.002 0.000 0.297 51 F C 2.511 178.178 175.800 -0.222 0.000 1.089 51 F CA 0.680 58.479 58.000 -0.334 0.000 1.377 51 F CB -0.624 37.968 39.000 -0.680 0.000 1.051 51 F HN 0.051 nan 8.300 nan 0.000 0.511 52 G N 0.395 109.143 108.800 -0.087 0.000 2.402 52 G HA2 -0.191 3.768 3.960 -0.002 0.000 0.216 52 G HA3 -0.191 3.768 3.960 -0.002 0.000 0.216 52 G C 1.771 176.711 174.900 0.066 0.000 1.162 52 G CA 0.780 45.912 45.100 0.054 0.000 0.777 52 G HN 0.322 nan 8.290 nan 0.000 0.539 53 I N 1.302 121.877 120.570 0.009 0.000 2.226 53 I HA -0.169 4.000 4.170 -0.002 0.000 0.245 53 I C 3.291 179.476 176.117 0.112 0.000 1.100 53 I CA 0.932 62.269 61.300 0.060 0.000 1.374 53 I CB -0.187 37.738 38.000 -0.125 0.000 1.057 53 I HN 0.251 nan 8.210 nan 0.000 0.413 54 A N 0.932 123.765 122.820 0.020 0.000 1.940 54 A HA -0.264 4.055 4.320 -0.002 0.000 0.219 54 A C 2.246 179.884 177.584 0.089 0.000 1.176 54 A CA 1.986 54.039 52.037 0.026 0.000 0.631 54 A CB -0.654 18.329 19.000 -0.028 0.000 0.814 54 A HN 0.681 nan 8.150 nan 0.000 0.446 55 Q N -1.510 118.363 119.800 0.121 0.000 2.302 55 Q HA -0.045 4.294 4.340 -0.002 0.000 0.202 55 Q C 0.764 176.810 176.000 0.077 0.000 0.936 55 Q CA 0.945 56.814 55.803 0.111 0.000 0.886 55 Q CB -0.230 28.598 28.738 0.148 0.000 0.986 55 Q HN 0.451 nan 8.270 nan 0.000 0.487 56 D N 0.597 121.048 120.400 0.086 0.000 2.183 56 D HA -0.101 4.538 4.640 -0.002 0.000 0.203 56 D C 0.661 176.886 176.300 -0.125 0.000 0.969 56 D CA 1.064 55.049 54.000 -0.025 0.000 0.842 56 D CB 0.052 40.821 40.800 -0.051 0.000 0.957 56 D HN 0.364 nan 8.370 nan 0.000 0.484 57 Y N 0.452 120.735 120.300 -0.028 0.000 2.493 57 Y HA 0.150 4.699 4.550 -0.001 0.000 0.275 57 Y C 0.546 176.433 175.900 -0.021 0.000 1.183 57 Y CA -0.362 57.721 58.100 -0.029 0.000 1.258 57 Y CB 0.292 38.726 38.460 -0.044 0.000 1.108 57 Y HN -0.299 nan 8.280 nan 0.000 0.521 58 K N 0.233 120.687 120.400 0.089 0.000 3.035 58 K HA -0.181 4.138 4.320 -0.002 0.000 0.262 58 K C 0.541 177.166 176.600 0.042 0.000 1.024 58 K CA 0.767 57.083 56.287 0.050 0.000 0.748 58 K CB -1.496 31.021 32.500 0.027 0.000 1.247 58 K HN 0.611 nan 8.250 nan 0.000 0.482 59 G N -0.211 108.615 108.800 0.044 0.000 2.736 59 G HA2 0.510 4.469 3.960 -0.002 0.000 0.229 59 G HA3 0.510 4.469 3.960 -0.002 0.000 0.229 59 G C -0.354 174.493 174.900 -0.088 0.000 1.380 59 G CA -0.354 44.733 45.100 -0.021 0.000 1.040 59 G HN 0.077 nan 8.290 nan 0.000 0.568 60 Q N -1.705 117.956 119.800 -0.233 0.000 2.399 60 Q HA 0.519 4.858 4.340 -0.002 0.000 0.276 60 Q C -1.378 174.432 176.000 -0.317 0.000 1.098 60 Q CA -0.549 55.049 55.803 -0.342 0.000 0.827 60 Q CB 2.089 30.425 28.738 -0.669 0.000 1.386 60 Q HN 0.506 nan 8.270 nan 0.000 0.443 61 C N 2.366 121.565 119.300 -0.169 0.000 2.516 61 C HA 0.514 4.973 4.460 -0.002 0.000 0.338 61 C C -1.170 173.769 174.990 -0.084 0.000 1.132 61 C CA -0.583 58.315 59.018 -0.200 0.000 1.310 61 C CB 0.358 27.788 27.740 -0.517 0.000 1.898 61 C HN 0.702 nan 8.230 nan 0.000 0.452 62 N N 3.445 122.145 118.700 0.000 0.000 2.498 62 N HA 0.475 5.214 4.740 -0.002 0.000 0.287 62 N C -0.684 174.804 175.510 -0.037 0.000 1.097 62 N CA -0.374 52.717 53.050 0.068 0.000 0.973 62 N CB 1.597 40.128 38.487 0.073 0.000 1.153 62 N HN 0.729 nan 8.380 nan 0.000 0.472 63 L N 1.761 122.965 121.223 -0.031 0.000 2.265 63 L HA 0.395 4.734 4.340 -0.002 0.000 0.288 63 L C 0.046 176.645 176.870 -0.451 0.000 1.058 63 L CA -0.076 54.607 54.840 -0.261 0.000 0.809 63 L CB 0.235 41.939 42.059 -0.592 0.000 1.179 63 L HN 0.482 nan 8.230 nan 0.000 0.429 64 R N 4.635 124.842 120.500 -0.490 0.000 2.483 64 R HA 0.390 4.729 4.340 -0.002 0.000 0.303 64 R C -1.530 174.443 176.300 -0.545 0.000 0.987 64 R CA -0.588 55.245 56.100 -0.445 0.000 0.881 64 R CB 0.729 30.885 30.300 -0.240 0.000 1.177 64 R HN 0.499 nan 8.270 nan 0.000 0.451 65 F N 2.839 122.546 119.950 -0.405 0.000 2.466 65 F HA 0.092 4.618 4.527 -0.002 0.000 0.363 65 F C 0.859 176.600 175.800 -0.098 0.000 1.109 65 F CA -0.021 57.815 58.000 -0.273 0.000 1.161 65 F CB 0.748 39.568 39.000 -0.300 0.000 1.117 65 F HN 0.388 nan 8.300 nan 0.000 0.539 66 D N 3.920 124.368 120.400 0.080 0.000 2.551 66 D HA 0.007 4.646 4.640 -0.002 0.000 0.223 66 D C -0.174 176.248 176.300 0.204 0.000 1.144 66 D CA -0.096 53.981 54.000 0.128 0.000 1.025 66 D CB -0.195 40.680 40.800 0.125 0.000 1.085 66 D HN 0.406 nan 8.370 nan 0.000 0.506 67 D N 0.700 121.255 120.400 0.260 0.000 2.943 67 D HA -0.020 4.619 4.640 -0.002 0.000 0.249 67 D C 0.917 177.459 176.300 0.403 0.000 1.231 67 D CA -0.399 53.796 54.000 0.326 0.000 0.979 67 D CB -0.186 40.860 40.800 0.410 0.000 1.053 67 D HN 0.114 nan 8.370 nan 0.000 0.504 68 T N -3.019 111.733 114.554 0.331 0.000 3.086 68 T HA 0.072 4.421 4.350 -0.002 0.000 0.250 68 T C 0.514 175.335 174.700 0.201 0.000 1.074 68 T CA -0.517 61.802 62.100 0.365 0.000 0.988 68 T CB -0.187 68.854 68.868 0.289 0.000 0.988 68 T HN 0.089 nan 8.240 nan 0.000 0.530 69 N N 1.996 120.763 118.700 0.112 0.000 2.690 69 N HA 0.307 5.046 4.740 -0.002 0.000 0.255 69 N C -2.068 173.397 175.510 -0.076 0.000 1.195 69 N CA -2.324 50.716 53.050 -0.017 0.000 0.790 69 N CB 2.048 40.556 38.487 0.036 0.000 1.216 69 N HN -0.059 nan 8.380 nan 0.000 0.528 70 P HA -0.182 nan 4.420 nan 0.000 0.216 70 P C 1.294 178.545 177.300 -0.081 0.000 1.150 70 P CA 1.264 64.232 63.100 -0.220 0.000 0.843 70 P CB 0.214 31.723 31.700 -0.318 0.000 0.787 71 V N -2.689 117.190 119.914 -0.059 0.000 3.078 71 V HA -0.049 4.070 4.120 -0.002 0.000 0.265 71 V C 1.903 178.017 176.094 0.033 0.000 1.122 71 V CA 1.400 63.702 62.300 0.003 0.000 1.141 71 V CB -1.237 30.596 31.823 0.018 0.000 0.735 71 V HN 0.029 nan 8.190 nan 0.000 0.498 72 K N 0.188 120.610 120.400 0.035 0.000 2.367 72 K HA 0.322 4.641 4.320 -0.002 0.000 0.195 72 K C 0.333 176.990 176.600 0.095 0.000 1.060 72 K CA 0.096 56.423 56.287 0.068 0.000 1.022 72 K CB 0.787 33.321 32.500 0.057 0.000 0.894 72 K HN 0.623 nan 8.250 nan 0.000 0.540 73 E N 0.837 121.077 120.200 0.068 0.000 2.227 73 E HA 0.242 4.591 4.350 -0.002 0.000 0.268 73 E C -0.907 175.668 176.600 -0.041 0.000 0.990 73 E CA -0.584 55.848 56.400 0.053 0.000 0.856 73 E CB 1.476 31.193 29.700 0.028 0.000 1.159 73 E HN -0.053 nan 8.360 nan 0.000 0.401 74 D N 0.776 121.066 120.400 -0.183 0.000 2.655 74 D HA 0.085 4.724 4.640 -0.002 0.000 0.229 74 D C 0.104 176.066 176.300 -0.563 0.000 1.229 74 D CA -0.564 53.206 54.000 -0.384 0.000 0.807 74 D CB 2.103 42.627 40.800 -0.460 0.000 1.514 74 D HN 0.353 nan 8.370 nan 0.000 0.444 75 I N 2.399 122.699 120.570 -0.450 0.000 2.567 75 I HA -0.131 4.038 4.170 -0.002 0.000 0.257 75 I C 2.042 177.944 176.117 -0.359 0.000 1.184 75 I CA 1.451 62.526 61.300 -0.375 0.000 1.451 75 I CB -0.239 37.645 38.000 -0.193 0.000 1.089 75 I HN 0.537 nan 8.210 nan 0.000 0.441 76 E N -0.498 119.444 120.200 -0.430 0.000 2.110 76 E HA -0.267 4.082 4.350 -0.002 0.000 0.193 76 E C 1.908 178.272 176.600 -0.394 0.000 0.988 76 E CA 1.406 57.570 56.400 -0.393 0.000 0.804 76 E CB -0.172 29.262 29.700 -0.445 0.000 0.745 76 E HN 0.586 nan 8.360 nan 0.000 0.458 77 Y N -0.275 119.816 120.300 -0.349 0.000 2.314 77 Y HA -0.105 4.444 4.550 -0.002 0.000 0.293 77 Y C 2.438 178.082 175.900 -0.428 0.000 1.129 77 Y CA 0.871 58.700 58.100 -0.453 0.000 1.201 77 Y CB -0.915 37.316 38.460 -0.382 0.000 0.999 77 Y HN 0.094 nan 8.280 nan 0.000 0.541 78 V N -0.761 118.927 119.914 -0.376 0.000 2.548 78 V HA -0.178 3.941 4.120 -0.002 0.000 0.249 78 V C 1.696 177.602 176.094 -0.312 0.000 1.055 78 V CA 1.885 63.789 62.300 -0.660 0.000 1.065 78 V CB -0.389 30.816 31.823 -1.030 0.000 0.681 78 V HN 0.348 nan 8.190 nan 0.000 0.462 79 E N 1.859 121.922 120.200 -0.228 0.000 2.077 79 E HA -0.154 4.195 4.350 -0.002 0.000 0.193 79 E C 2.435 178.975 176.600 -0.099 0.000 0.989 79 E CA 1.804 58.134 56.400 -0.117 0.000 0.800 79 E CB -0.284 29.350 29.700 -0.110 0.000 0.746 79 E HN 0.880 nan 8.360 nan 0.000 0.452 80 S N 0.663 116.234 115.700 -0.214 0.000 2.414 80 S HA -0.054 4.415 4.470 -0.002 0.000 0.227 80 S C 2.079 176.567 174.600 -0.186 0.000 1.022 80 S CA 0.405 58.433 58.200 -0.287 0.000 0.958 80 S CB -0.338 62.397 63.200 -0.775 0.000 0.797 80 S HN 0.137 nan 8.310 nan 0.000 0.493 81 I N 1.760 122.258 120.570 -0.119 0.000 2.252 81 I HA -0.148 4.021 4.170 -0.002 0.000 0.245 81 I C 2.657 178.834 176.117 0.099 0.000 1.102 81 I CA 1.277 62.588 61.300 0.019 0.000 1.385 81 I CB -0.246 37.851 38.000 0.162 0.000 1.064 81 I HN 0.255 nan 8.210 nan 0.000 0.414 82 K N 0.488 120.977 120.400 0.147 0.000 2.097 82 K HA -0.206 4.113 4.320 -0.002 0.000 0.206 82 K C 2.014 178.753 176.600 0.231 0.000 1.049 82 K CA 1.312 57.696 56.287 0.162 0.000 0.933 82 K CB -0.279 32.326 32.500 0.175 0.000 0.717 82 K HN 0.321 nan 8.250 nan 0.000 0.442 83 N N 1.343 120.127 118.700 0.140 0.000 2.106 83 N HA -0.168 4.571 4.740 -0.002 0.000 0.188 83 N C 1.025 176.629 175.510 0.157 0.000 1.029 83 N CA 1.493 54.621 53.050 0.129 0.000 0.848 83 N CB 0.048 38.568 38.487 0.055 0.000 1.007 83 N HN 0.150 nan 8.380 nan 0.000 0.423 84 D N 0.347 120.822 120.400 0.126 0.000 2.149 84 D HA -0.054 4.585 4.640 -0.002 0.000 0.201 84 D C 2.124 178.554 176.300 0.217 0.000 0.972 84 D CA 0.442 54.552 54.000 0.183 0.000 0.835 84 D CB -0.154 40.717 40.800 0.119 0.000 0.966 84 D HN 0.095 nan 8.370 nan 0.000 0.476 85 V N 1.464 121.471 119.914 0.155 0.000 2.343 85 V HA -0.222 3.897 4.120 -0.002 0.000 0.247 85 V C 2.367 178.490 176.094 0.048 0.000 1.051 85 V CA 1.615 63.967 62.300 0.087 0.000 1.036 85 V CB -0.395 31.502 31.823 0.124 0.000 0.654 85 V HN 0.182 nan 8.190 nan 0.000 0.451 86 E N -1.352 118.913 120.200 0.109 0.000 2.072 86 E HA -0.273 4.076 4.350 -0.002 0.000 0.191 86 E C 1.944 178.510 176.600 -0.057 0.000 0.985 86 E CA 1.533 57.897 56.400 -0.060 0.000 0.801 86 E CB -0.212 29.499 29.700 0.018 0.000 0.750 86 E HN 0.776 nan 8.360 nan 0.000 0.452 87 W N 1.434 122.690 121.300 -0.072 0.000 2.363 87 W HA -0.151 4.509 4.660 -0.001 0.000 0.296 87 W C 1.616 178.071 176.519 -0.107 0.000 1.212 87 W CA 1.156 58.460 57.345 -0.068 0.000 1.260 87 W CB -0.192 29.257 29.460 -0.017 0.000 1.131 87 W HN -0.025 nan 8.180 nan 0.000 0.530 88 L N 0.555 121.693 121.223 -0.142 0.000 2.362 88 L HA 0.054 4.393 4.340 -0.002 0.000 0.219 88 L C 1.776 178.264 176.870 -0.636 0.000 1.134 88 L CA 1.231 55.860 54.840 -0.352 0.000 0.807 88 L CB -1.022 41.048 42.059 0.019 0.000 0.927 88 L HN 0.332 nan 8.230 nan 0.000 0.447 89 G N -0.828 107.608 108.800 -0.608 0.000 2.173 89 G HA2 -0.220 3.739 3.960 -0.002 0.000 0.174 89 G HA3 -0.220 3.739 3.960 -0.002 0.000 0.174 89 G C -0.342 174.016 174.900 -0.903 0.000 1.025 89 G CA -0.695 43.977 45.100 -0.713 0.000 0.706 89 G HN 0.083 nan 8.290 nan 0.000 0.499 90 F N 0.736 120.380 119.950 -0.509 0.000 2.546 90 F HA 0.710 5.236 4.527 -0.001 0.000 0.320 90 F C 0.421 175.769 175.800 -0.754 0.000 1.076 90 F CA -1.063 56.586 58.000 -0.586 0.000 0.928 90 F CB 1.738 40.227 39.000 -0.852 0.000 1.189 90 F HN 0.078 nan 8.300 nan 0.000 0.465 91 H N 0.681 119.727 119.070 -0.039 0.000 2.538 91 H HA 0.228 4.783 4.556 -0.002 0.000 0.353 91 H C -1.041 174.414 175.328 0.212 0.000 1.109 91 H CA -0.960 55.004 56.048 -0.140 0.000 1.192 91 H CB 1.639 31.283 29.762 -0.197 0.000 1.555 91 H HN 0.783 nan 8.280 nan 0.000 0.518 92 W N 1.274 122.812 121.300 0.397 0.000 2.332 92 W HA 0.491 5.150 4.660 -0.001 0.000 0.351 92 W C 0.185 176.840 176.519 0.227 0.000 1.195 92 W CA -1.117 56.479 57.345 0.418 0.000 1.334 92 W CB 0.348 30.009 29.460 0.334 0.000 1.206 92 W HN 0.349 nan 8.180 nan 0.000 0.637 93 S N 2.075 118.020 115.700 0.409 0.000 2.448 93 S HA 0.504 4.973 4.470 -0.002 0.000 0.279 93 S C 0.715 175.486 174.600 0.285 0.000 1.195 93 S CA 0.583 58.922 58.200 0.231 0.000 1.051 93 S CB -0.790 62.477 63.200 0.111 0.000 0.948 93 S HN 1.569 nan 8.310 nan 0.000 0.493 94 G N 5.617 114.544 108.800 0.212 0.000 2.552 94 G HA2 -0.277 3.682 3.960 -0.002 0.000 0.265 94 G HA3 -0.277 3.682 3.960 -0.002 0.000 0.265 94 G C -0.202 174.894 174.900 0.328 0.000 1.234 94 G CA 0.048 45.273 45.100 0.208 0.000 0.944 94 G HN 0.845 nan 8.290 nan 0.000 0.568 95 N N -0.998 117.862 118.700 0.267 0.000 2.424 95 N HA 0.385 5.124 4.740 -0.002 0.000 0.257 95 N C 0.362 176.016 175.510 0.240 0.000 1.250 95 N CA -0.447 52.780 53.050 0.296 0.000 0.946 95 N CB 1.082 39.688 38.487 0.198 0.000 1.175 95 N HN 0.469 nan 8.380 nan 0.000 0.477 96 V N 2.133 122.132 119.914 0.142 0.000 2.599 96 V HA -0.004 4.115 4.120 -0.002 0.000 0.300 96 V C 0.575 176.600 176.094 -0.116 0.000 1.034 96 V CA 0.376 62.557 62.300 -0.199 0.000 1.115 96 V CB -0.066 31.640 31.823 -0.195 0.000 0.934 96 V HN 0.600 nan 8.190 nan 0.000 0.485 97 R N 3.722 124.078 120.500 -0.241 0.000 2.674 97 R HA 0.627 4.966 4.340 -0.002 0.000 0.266 97 R C -1.302 174.802 176.300 -0.326 0.000 1.016 97 R CA -0.675 55.339 56.100 -0.143 0.000 1.062 97 R CB 1.120 31.387 30.300 -0.054 0.000 1.142 97 R HN 0.595 nan 8.270 nan 0.000 0.517 98 Y N -1.430 118.781 120.300 -0.149 0.000 2.492 98 Y HA 0.190 4.739 4.550 -0.001 0.000 0.346 98 Y C 1.219 176.937 175.900 -0.302 0.000 0.997 98 Y CA -0.593 57.426 58.100 -0.136 0.000 1.025 98 Y CB 2.354 40.727 38.460 -0.146 0.000 1.263 98 Y HN 0.512 nan 8.280 nan 0.000 0.454 99 S N 0.111 115.799 115.700 -0.020 0.000 2.419 99 S HA -0.172 4.297 4.470 -0.002 0.000 0.233 99 S C 1.909 176.280 174.600 -0.381 0.000 1.016 99 S CA 1.619 59.800 58.200 -0.032 0.000 0.974 99 S CB -0.278 62.974 63.200 0.088 0.000 0.786 99 S HN 0.786 nan 8.310 nan 0.000 0.492 100 S N 1.675 116.944 115.700 -0.717 0.000 2.474 100 S HA -0.082 4.387 4.470 -0.002 0.000 0.235 100 S C 1.021 175.033 174.600 -0.980 0.000 0.997 100 S CA 0.768 57.968 58.200 -1.667 0.000 0.949 100 S CB -0.316 62.097 63.200 -1.312 0.000 0.766 100 S HN 0.355 nan 8.310 nan 0.000 0.517 101 D N 0.796 120.789 120.400 -0.678 0.000 2.264 101 D HA -0.029 4.610 4.640 -0.002 0.000 0.208 101 D C 0.339 176.328 176.300 -0.518 0.000 0.966 101 D CA 0.928 54.573 54.000 -0.591 0.000 0.864 101 D CB -0.222 40.157 40.800 -0.703 0.000 0.933 101 D HN 0.600 nan 8.370 nan 0.000 0.499 102 Y N -0.881 119.338 120.300 -0.134 0.000 2.607 102 Y HA 0.173 4.722 4.550 -0.002 0.000 0.266 102 Y C 1.351 177.302 175.900 0.086 0.000 1.178 102 Y CA -0.807 57.280 58.100 -0.022 0.000 1.226 102 Y CB -0.361 38.077 38.460 -0.036 0.000 1.144 102 Y HN -0.185 nan 8.280 nan 0.000 0.528 103 F N 0.851 120.766 119.950 -0.058 0.000 2.171 103 F HA -0.180 4.346 4.527 -0.002 0.000 0.300 103 F C 1.814 177.537 175.800 -0.128 0.000 1.090 103 F CA 0.896 58.730 58.000 -0.277 0.000 1.293 103 F CB -0.500 38.060 39.000 -0.733 0.000 1.013 103 F HN 0.211 nan 8.300 nan 0.000 0.486 104 D N -0.660 119.944 120.400 0.339 0.000 2.224 104 D HA -0.152 4.487 4.640 -0.002 0.000 0.205 104 D C 2.082 178.549 176.300 0.279 0.000 0.965 104 D CA 0.751 54.986 54.000 0.391 0.000 0.852 104 D CB -0.085 40.901 40.800 0.310 0.000 0.947 104 D HN 0.294 nan 8.370 nan 0.000 0.494 105 Q N 0.147 120.078 119.800 0.218 0.000 2.083 105 Q HA -0.059 4.280 4.340 -0.002 0.000 0.198 105 Q C 1.983 178.083 176.000 0.166 0.000 0.969 105 Q CA 0.604 56.480 55.803 0.120 0.000 0.838 105 Q CB -0.014 28.817 28.738 0.154 0.000 0.900 105 Q HN 0.085 nan 8.270 nan 0.000 0.436 106 L N -0.541 120.853 121.223 0.284 0.000 2.093 106 L HA -0.124 4.215 4.340 -0.002 0.000 0.208 106 L C 2.115 179.345 176.870 0.600 0.000 1.085 106 L CA 1.885 56.958 54.840 0.388 0.000 0.755 106 L CB -1.055 41.202 42.059 0.330 0.000 0.904 106 L HN 0.396 nan 8.230 nan 0.000 0.435 107 H N -0.448 118.840 119.070 0.364 0.000 2.389 107 H HA -0.058 4.497 4.556 -0.002 0.000 0.299 107 H C 2.072 177.562 175.328 0.269 0.000 1.081 107 H CA 1.532 57.763 56.048 0.304 0.000 1.345 107 H CB 0.241 30.141 29.762 0.230 0.000 1.393 107 H HN 0.250 nan 8.280 nan 0.000 0.520 108 A N -0.296 122.618 122.820 0.156 0.000 1.930 108 A HA -0.157 4.162 4.320 -0.002 0.000 0.217 108 A C 1.888 179.467 177.584 -0.009 0.000 1.175 108 A CA 1.384 53.414 52.037 -0.011 0.000 0.627 108 A CB -0.925 18.006 19.000 -0.114 0.000 0.815 108 A HN 0.556 nan 8.150 nan 0.000 0.443 109 Y N -0.225 120.166 120.300 0.152 0.000 2.373 109 Y HA 0.076 4.625 4.550 -0.002 0.000 0.293 109 Y C 2.778 178.830 175.900 0.253 0.000 1.129 109 Y CA 0.117 58.317 58.100 0.167 0.000 1.226 109 Y CB -0.601 37.934 38.460 0.125 0.000 1.000 109 Y HN 0.337 nan 8.280 nan 0.000 0.549 110 A N 0.027 123.108 122.820 0.435 0.000 1.898 110 A HA -0.130 4.189 4.320 -0.002 0.000 0.216 110 A C 2.236 179.770 177.584 -0.084 0.000 1.181 110 A CA 1.473 53.564 52.037 0.089 0.000 0.620 110 A CB -0.941 18.036 19.000 -0.040 0.000 0.819 110 A HN 0.423 nan 8.150 nan 0.000 0.442 111 I N -0.548 119.995 120.570 -0.045 0.000 2.361 111 I HA -0.234 3.935 4.170 -0.002 0.000 0.251 111 I C 2.515 178.631 176.117 -0.002 0.000 1.133 111 I CA 1.603 62.877 61.300 -0.043 0.000 1.413 111 I CB -0.237 37.736 38.000 -0.045 0.000 1.073 111 I HN 0.534 nan 8.210 nan 0.000 0.424 112 E N 0.913 121.143 120.200 0.050 0.000 2.106 112 E HA -0.232 4.117 4.350 -0.002 0.000 0.192 112 E C 2.205 178.833 176.600 0.047 0.000 0.984 112 E CA 1.071 57.511 56.400 0.066 0.000 0.806 112 E CB 0.153 29.940 29.700 0.144 0.000 0.750 112 E HN 0.243 nan 8.360 nan 0.000 0.458 113 L N 0.932 122.186 121.223 0.052 0.000 2.093 113 L HA -0.122 4.217 4.340 -0.002 0.000 0.208 113 L C 2.180 179.055 176.870 0.008 0.000 1.085 113 L CA 1.327 56.186 54.840 0.032 0.000 0.755 113 L CB -0.486 41.604 42.059 0.052 0.000 0.904 113 L HN 0.263 nan 8.230 nan 0.000 0.435 114 I N -0.618 119.927 120.570 -0.041 0.000 2.252 114 I HA -0.284 3.885 4.170 -0.002 0.000 0.245 114 I C 1.939 178.058 176.117 0.003 0.000 1.102 114 I CA 0.913 62.190 61.300 -0.038 0.000 1.385 114 I CB -0.379 37.566 38.000 -0.091 0.000 1.064 114 I HN 0.323 nan 8.210 nan 0.000 0.414 115 N N 1.183 119.887 118.700 0.006 0.000 2.364 115 N HA -0.142 4.597 4.740 -0.002 0.000 0.183 115 N C 1.450 176.970 175.510 0.017 0.000 1.022 115 N CA 1.113 54.172 53.050 0.015 0.000 0.883 115 N CB -0.111 38.384 38.487 0.014 0.000 0.965 115 N HN 0.442 nan 8.380 nan 0.000 0.438 116 K N -0.351 120.060 120.400 0.018 0.000 2.404 116 K HA 0.132 4.451 4.320 -0.002 0.000 0.194 116 K C 0.828 177.449 176.600 0.035 0.000 1.023 116 K CA 0.324 56.621 56.287 0.018 0.000 1.094 116 K CB 0.460 32.963 32.500 0.004 0.000 0.841 116 K HN 0.143 nan 8.250 nan 0.000 0.523 117 G N 1.554 110.381 108.800 0.045 0.000 2.148 117 G HA2 -0.262 3.697 3.960 -0.002 0.000 0.254 117 G HA3 -0.262 3.697 3.960 -0.002 0.000 0.254 117 G C 0.477 175.440 174.900 0.105 0.000 0.981 117 G CA 0.036 45.173 45.100 0.063 0.000 0.670 117 G HN 0.281 nan 8.290 nan 0.000 0.528 118 L N 0.029 121.328 121.223 0.127 0.000 2.685 118 L HA 0.628 4.967 4.340 -0.002 0.000 0.233 118 L C 1.068 178.083 176.870 0.240 0.000 1.173 118 L CA 0.562 55.541 54.840 0.232 0.000 0.961 118 L CB -0.056 42.159 42.059 0.260 0.000 1.217 118 L HN 0.607 nan 8.230 nan 0.000 0.478 119 A N -0.204 122.705 122.820 0.148 0.000 2.604 119 A HA 0.699 5.018 4.320 -0.002 0.000 0.295 119 A C -1.740 175.897 177.584 0.089 0.000 1.067 119 A CA -0.451 51.615 52.037 0.048 0.000 0.683 119 A CB 1.342 20.278 19.000 -0.106 0.000 1.281 119 A HN 0.178 nan 8.150 nan 0.000 0.407 120 Y N -1.472 118.765 120.300 -0.105 0.000 2.638 120 Y HA 0.701 5.250 4.550 -0.002 0.000 0.335 120 Y C -1.181 174.657 175.900 -0.103 0.000 1.155 120 Y CA -1.553 56.497 58.100 -0.082 0.000 1.046 120 Y CB 0.906 39.349 38.460 -0.029 0.000 1.303 120 Y HN 0.483 nan 8.280 nan 0.000 0.460 121 V N 3.030 122.943 119.914 -0.002 0.000 2.368 121 V HA 0.214 4.333 4.120 -0.002 0.000 0.266 121 V C -0.497 175.586 176.094 -0.019 0.000 1.045 121 V CA -0.018 62.227 62.300 -0.092 0.000 0.899 121 V CB 0.558 32.375 31.823 -0.011 0.000 1.006 121 V HN 0.756 nan 8.190 nan 0.000 0.470 122 D N 3.581 123.883 120.400 -0.162 0.000 2.175 122 D HA 0.307 4.946 4.640 -0.002 0.000 0.248 122 D C 0.498 176.615 176.300 -0.304 0.000 1.047 122 D CA -0.379 53.584 54.000 -0.062 0.000 0.883 122 D CB 1.833 42.621 40.800 -0.019 0.000 1.180 122 D HN 0.611 nan 8.370 nan 0.000 0.438 123 E N 1.611 121.473 120.200 -0.563 0.000 2.603 123 E HA 0.106 4.455 4.350 -0.002 0.000 0.211 123 E C -0.224 176.161 176.600 -0.360 0.000 0.995 123 E CA -0.519 55.501 56.400 -0.635 0.000 0.990 123 E CB 0.601 29.730 29.700 -0.952 0.000 1.036 123 E HN 0.235 nan 8.360 nan 0.000 0.475 124 L N 2.589 123.720 121.223 -0.153 0.000 2.499 124 L HA -0.001 4.338 4.340 -0.002 0.000 0.273 124 L C 1.129 177.955 176.870 -0.072 0.000 1.195 124 L CA 0.607 55.412 54.840 -0.058 0.000 0.882 124 L CB 0.440 42.427 42.059 -0.120 0.000 1.133 124 L HN 0.105 nan 8.230 nan 0.000 0.483 125 T N 1.960 116.496 114.554 -0.030 0.000 2.734 125 T HA 0.131 4.480 4.350 -0.002 0.000 0.314 125 T C -1.675 173.021 174.700 -0.007 0.000 1.057 125 T CA -1.083 61.008 62.100 -0.016 0.000 1.047 125 T CB 0.239 69.116 68.868 0.015 0.000 0.991 125 T HN 0.498 nan 8.240 nan 0.000 0.540 126 P HA -0.033 nan 4.420 nan 0.000 0.219 126 P C 1.049 178.364 177.300 0.024 0.000 1.146 126 P CA 0.979 64.084 63.100 0.009 0.000 0.808 126 P CB 0.050 31.759 31.700 0.015 0.000 0.779 127 E N -1.197 119.023 120.200 0.034 0.000 2.190 127 E HA -0.068 4.281 4.350 -0.002 0.000 0.191 127 E C 2.037 178.679 176.600 0.070 0.000 0.978 127 E CA 0.714 57.142 56.400 0.047 0.000 0.839 127 E CB -0.511 29.217 29.700 0.047 0.000 0.787 127 E HN 0.324 nan 8.360 nan 0.000 0.473 128 Q N 0.345 120.189 119.800 0.074 0.000 2.119 128 Q HA -0.040 4.299 4.340 -0.002 0.000 0.201 128 Q C 2.242 178.320 176.000 0.131 0.000 0.972 128 Q CA 0.838 56.716 55.803 0.126 0.000 0.847 128 Q CB -0.063 28.721 28.738 0.076 0.000 0.903 128 Q HN 0.343 nan 8.270 nan 0.000 0.433 129 I N 0.563 121.161 120.570 0.046 0.000 2.361 129 I HA -0.313 3.856 4.170 -0.002 0.000 0.251 129 I C 2.472 178.646 176.117 0.095 0.000 1.133 129 I CA 1.128 62.453 61.300 0.042 0.000 1.413 129 I CB -0.002 37.998 38.000 0.000 0.000 1.073 129 I HN 0.129 nan 8.210 nan 0.000 0.424 130 R N 0.791 121.341 120.500 0.083 0.000 2.073 130 R HA -0.171 4.168 4.340 -0.002 0.000 0.229 130 R C 2.091 178.447 176.300 0.095 0.000 1.120 130 R CA 1.645 57.789 56.100 0.073 0.000 0.967 130 R CB -0.157 30.173 30.300 0.051 0.000 0.862 130 R HN 0.464 nan 8.270 nan 0.000 0.436 131 E N -0.638 119.639 120.200 0.130 0.000 2.085 131 E HA -0.223 4.126 4.350 -0.002 0.000 0.194 131 E C 1.590 178.258 176.600 0.114 0.000 0.994 131 E CA 1.445 57.915 56.400 0.116 0.000 0.801 131 E CB -0.114 29.674 29.700 0.147 0.000 0.743 131 E HN 0.422 nan 8.360 nan 0.000 0.453 132 Y N 0.250 120.561 120.300 0.018 0.000 2.561 132 Y HA 0.015 4.564 4.550 -0.002 0.000 0.291 132 Y C 2.169 178.078 175.900 0.014 0.000 1.141 132 Y CA 0.514 58.625 58.100 0.018 0.000 1.303 132 Y CB 0.046 38.524 38.460 0.031 0.000 1.015 132 Y HN -0.114 nan 8.280 nan 0.000 0.547 133 R N 0.383 120.973 120.500 0.149 0.000 2.276 133 R HA 0.170 4.509 4.340 -0.002 0.000 0.203 133 R C 0.988 177.315 176.300 0.046 0.000 1.017 133 R CA 0.780 56.932 56.100 0.086 0.000 1.010 133 R CB -0.221 30.118 30.300 0.064 0.000 0.900 133 R HN 0.369 nan 8.270 nan 0.000 0.469 134 G N -0.471 108.346 108.800 0.028 0.000 2.693 134 G HA2 -0.312 3.647 3.960 -0.002 0.000 0.226 134 G HA3 -0.312 3.647 3.960 -0.002 0.000 0.226 134 G C -0.162 174.738 174.900 0.000 0.000 1.354 134 G CA -0.249 44.852 45.100 0.002 0.000 0.873 134 G HN 0.456 nan 8.290 nan 0.000 0.562 135 T N -2.940 111.609 114.554 -0.010 0.000 2.676 135 T HA 0.699 5.048 4.350 -0.002 0.000 0.269 135 T C 1.722 176.410 174.700 -0.019 0.000 0.952 135 T CA -0.020 62.073 62.100 -0.013 0.000 1.040 135 T CB 1.027 69.885 68.868 -0.016 0.000 1.352 135 T HN 0.893 nan 8.240 nan 0.000 0.554 136 L N 0.766 121.974 121.223 -0.025 0.000 2.291 136 L HA 0.058 4.397 4.340 -0.002 0.000 0.214 136 L C 2.680 179.526 176.870 -0.041 0.000 1.120 136 L CA 1.569 56.388 54.840 -0.035 0.000 0.799 136 L CB -0.790 41.247 42.059 -0.037 0.000 0.925 136 L HN 0.983 nan 8.230 nan 0.000 0.446 137 T N -5.109 109.425 114.554 -0.034 0.000 2.990 137 T HA 0.127 4.476 4.350 -0.002 0.000 0.249 137 T C 0.815 175.496 174.700 -0.032 0.000 1.039 137 T CA -0.254 61.825 62.100 -0.035 0.000 1.036 137 T CB 0.263 69.112 68.868 -0.031 0.000 0.994 137 T HN 0.180 nan 8.240 nan 0.000 0.489 138 Q N 2.552 122.335 119.800 -0.028 0.000 2.274 138 Q HA 0.471 4.810 4.340 -0.002 0.000 0.260 138 Q C -2.752 173.235 176.000 -0.022 0.000 0.974 138 Q CA -2.692 53.096 55.803 -0.026 0.000 0.876 138 Q CB 2.045 30.767 28.738 -0.027 0.000 1.297 138 Q HN 0.244 nan 8.270 nan 0.000 0.446 139 P HA 0.070 nan 4.420 nan 0.000 0.274 139 P C -0.264 177.030 177.300 -0.010 0.000 1.237 139 P CA -0.048 63.045 63.100 -0.013 0.000 0.793 139 P CB 0.877 32.570 31.700 -0.011 0.000 0.977 140 G N 1.350 110.153 108.800 0.006 0.000 2.508 140 G HA2 0.508 4.467 3.960 -0.002 0.000 0.278 140 G HA3 0.508 4.467 3.960 -0.002 0.000 0.278 140 G C -0.617 174.294 174.900 0.017 0.000 1.389 140 G CA -0.645 44.467 45.100 0.019 0.000 1.050 140 G HN 0.684 nan 8.290 nan 0.000 0.522 141 K N -1.188 119.243 120.400 0.051 0.000 2.502 141 K HA 0.305 4.624 4.320 -0.002 0.000 0.257 141 K C -1.038 175.671 176.600 0.182 0.000 0.938 141 K CA -0.859 55.462 56.287 0.057 0.000 0.819 141 K CB 1.790 34.260 32.500 -0.051 0.000 1.333 141 K HN 0.460 nan 8.250 nan 0.000 0.434 142 N N 1.075 119.850 118.700 0.125 0.000 2.483 142 N HA -0.042 4.697 4.740 -0.002 0.000 0.264 142 N C -0.339 175.272 175.510 0.169 0.000 1.197 142 N CA -0.035 53.079 53.050 0.108 0.000 0.927 142 N CB 0.912 39.410 38.487 0.018 0.000 1.065 142 N HN 0.584 nan 8.380 nan 0.000 0.461 143 S N 2.558 118.302 115.700 0.074 0.000 2.568 143 S HA 0.075 4.544 4.470 -0.002 0.000 0.282 143 S C -1.152 173.378 174.600 -0.118 0.000 1.338 143 S CA -1.369 56.794 58.200 -0.062 0.000 1.045 143 S CB 0.614 63.833 63.200 0.032 0.000 0.873 143 S HN 0.464 nan 8.310 nan 0.000 0.516 144 P HA -0.023 nan 4.420 nan 0.000 0.230 144 P C -0.002 176.998 177.300 -0.501 0.000 1.158 144 P CA 1.017 63.879 63.100 -0.397 0.000 0.769 144 P CB -0.140 31.257 31.700 -0.506 0.000 0.807 145 Y N -0.966 119.296 120.300 -0.063 0.000 2.485 145 Y HA 0.318 4.867 4.550 -0.002 0.000 0.260 145 Y C 2.592 178.389 175.900 -0.172 0.000 1.173 145 Y CA -0.390 57.684 58.100 -0.045 0.000 1.252 145 Y CB -0.558 37.922 38.460 0.033 0.000 1.123 145 Y HN -0.189 nan 8.280 nan 0.000 0.524 146 R N 0.744 121.070 120.500 -0.290 0.000 2.152 146 R HA -0.112 4.227 4.340 -0.002 0.000 0.232 146 R C 0.135 176.110 176.300 -0.542 0.000 1.117 146 R CA 1.483 57.084 56.100 -0.831 0.000 0.981 146 R CB 0.038 29.988 30.300 -0.582 0.000 0.870 146 R HN 0.256 nan 8.270 nan 0.000 0.451 147 D N 0.666 120.919 120.400 -0.244 0.000 2.491 147 D HA 0.045 4.684 4.640 -0.002 0.000 0.228 147 D C -0.256 176.010 176.300 -0.056 0.000 1.183 147 D CA 0.014 53.932 54.000 -0.136 0.000 0.827 147 D CB 0.237 40.980 40.800 -0.096 0.000 0.989 147 D HN 0.153 nan 8.370 nan 0.000 0.494 148 R N 0.961 121.449 120.500 -0.019 0.000 2.734 148 R HA 0.119 4.458 4.340 -0.002 0.000 0.266 148 R C 1.063 177.386 176.300 0.037 0.000 1.044 148 R CA -0.021 56.104 56.100 0.041 0.000 1.128 148 R CB 0.578 30.937 30.300 0.098 0.000 1.010 148 R HN 0.069 nan 8.270 nan 0.000 0.461 149 S N 0.392 116.116 115.700 0.040 0.000 2.589 149 S HA 0.004 4.473 4.470 -0.002 0.000 0.265 149 S C 1.487 176.114 174.600 0.044 0.000 1.342 149 S CA -0.934 57.287 58.200 0.035 0.000 1.005 149 S CB 1.066 64.285 63.200 0.031 0.000 0.909 149 S HN 0.374 nan 8.310 nan 0.000 0.555 150 V N 1.836 121.772 119.914 0.037 0.000 2.392 150 V HA -0.167 3.952 4.120 -0.002 0.000 0.249 150 V C 2.510 178.630 176.094 0.042 0.000 1.059 150 V CA 2.361 64.684 62.300 0.038 0.000 1.051 150 V CB -1.310 30.531 31.823 0.029 0.000 0.658 150 V HN 0.873 nan 8.190 nan 0.000 0.455 151 E N -0.069 120.155 120.200 0.039 0.000 2.150 151 E HA -0.180 4.169 4.350 -0.002 0.000 0.193 151 E C 2.173 178.805 176.600 0.052 0.000 0.985 151 E CA 1.132 57.556 56.400 0.041 0.000 0.814 151 E CB -0.207 29.513 29.700 0.033 0.000 0.752 151 E HN 0.663 nan 8.360 nan 0.000 0.466 152 E N 0.160 120.395 120.200 0.059 0.000 2.112 152 E HA -0.062 4.287 4.350 -0.002 0.000 0.190 152 E C 1.621 178.277 176.600 0.094 0.000 0.979 152 E CA 0.780 57.224 56.400 0.075 0.000 0.814 152 E CB -0.122 29.626 29.700 0.079 0.000 0.762 152 E HN 0.317 nan 8.360 nan 0.000 0.460 153 N N 0.385 119.138 118.700 0.089 0.000 2.244 153 N HA -0.126 4.613 4.740 -0.002 0.000 0.183 153 N C 1.587 177.164 175.510 0.112 0.000 1.016 153 N CA 0.293 53.399 53.050 0.092 0.000 0.866 153 N CB 0.087 38.613 38.487 0.065 0.000 0.980 153 N HN -0.017 nan 8.380 nan 0.000 0.430 154 L N 1.085 122.367 121.223 0.098 0.000 2.017 154 L HA -0.047 4.292 4.340 -0.002 0.000 0.208 154 L C 2.279 179.228 176.870 0.132 0.000 1.073 154 L CA 1.367 56.279 54.840 0.120 0.000 0.745 154 L CB -0.998 41.107 42.059 0.077 0.000 0.894 154 L HN 0.136 nan 8.230 nan 0.000 0.432 155 A N -1.438 121.443 122.820 0.101 0.000 1.898 155 A HA -0.139 4.180 4.320 -0.002 0.000 0.216 155 A C 2.093 179.743 177.584 0.111 0.000 1.181 155 A CA 1.331 53.417 52.037 0.082 0.000 0.620 155 A CB -0.625 18.412 19.000 0.062 0.000 0.819 155 A HN 0.316 nan 8.150 nan 0.000 0.442 156 L N -1.932 119.389 121.223 0.163 0.000 2.156 156 L HA 0.018 4.357 4.340 -0.002 0.000 0.208 156 L C 2.126 179.183 176.870 0.311 0.000 1.095 156 L CA 1.236 56.229 54.840 0.255 0.000 0.770 156 L CB -1.264 40.948 42.059 0.254 0.000 0.914 156 L HN 0.496 nan 8.230 nan 0.000 0.439 157 F N 0.761 120.750 119.950 0.065 0.000 2.206 157 F HA -0.136 4.390 4.527 -0.002 0.000 0.298 157 F C 2.455 178.277 175.800 0.036 0.000 1.090 157 F CA 1.298 59.307 58.000 0.015 0.000 1.323 157 F CB -0.090 38.877 39.000 -0.054 0.000 1.028 157 F HN 0.168 nan 8.300 nan 0.000 0.492 158 E N 0.917 121.132 120.200 0.024 0.000 2.106 158 E HA -0.219 4.130 4.350 -0.002 0.000 0.192 158 E C 2.193 178.748 176.600 -0.076 0.000 0.984 158 E CA 1.552 57.904 56.400 -0.080 0.000 0.806 158 E CB -0.464 29.229 29.700 -0.011 0.000 0.750 158 E HN 0.410 nan 8.360 nan 0.000 0.458 159 K N -0.490 119.909 120.400 -0.002 0.000 2.148 159 K HA -0.087 4.232 4.320 -0.002 0.000 0.204 159 K C 2.133 178.753 176.600 0.033 0.000 1.050 159 K CA 1.282 57.550 56.287 -0.032 0.000 0.942 159 K CB -0.101 32.349 32.500 -0.083 0.000 0.724 159 K HN 0.208 nan 8.250 nan 0.000 0.446 160 M N 0.111 119.801 119.600 0.150 0.000 2.086 160 M HA -0.144 4.335 4.480 -0.002 0.000 0.261 160 M C 2.405 178.670 176.300 -0.058 0.000 1.067 160 M CA 1.412 56.807 55.300 0.159 0.000 1.116 160 M CB -0.182 32.498 32.600 0.134 0.000 1.348 160 M HN 0.092 nan 8.290 nan 0.000 0.407 161 R N 0.287 120.657 120.500 -0.218 0.000 2.115 161 R HA -0.074 4.265 4.340 -0.002 0.000 0.230 161 R C 1.814 177.999 176.300 -0.193 0.000 1.111 161 R CA 1.530 57.466 56.100 -0.274 0.000 0.976 161 R CB -0.147 29.915 30.300 -0.397 0.000 0.870 161 R HN 0.368 nan 8.270 nan 0.000 0.445 162 A N -0.626 122.115 122.820 -0.132 0.000 2.206 162 A HA 0.153 4.472 4.320 -0.002 0.000 0.211 162 A C 1.313 178.890 177.584 -0.013 0.000 1.158 162 A CA 1.009 52.990 52.037 -0.093 0.000 0.761 162 A CB -0.020 18.927 19.000 -0.087 0.000 0.801 162 A HN 0.517 nan 8.150 nan 0.000 0.473 163 G N -2.339 106.490 108.800 0.049 0.000 2.141 163 G HA2 -0.138 3.821 3.960 -0.002 0.000 0.231 163 G HA3 -0.138 3.821 3.960 -0.002 0.000 0.231 163 G C 1.131 176.164 174.900 0.223 0.000 0.984 163 G CA 0.448 45.699 45.100 0.252 0.000 0.660 163 G HN 1.250 nan 8.290 nan 0.000 0.525 164 G N -0.689 108.138 108.800 0.046 0.000 2.598 164 G HA2 0.332 4.291 3.960 -0.002 0.000 0.215 164 G HA3 0.332 4.291 3.960 -0.002 0.000 0.215 164 G C 0.379 175.188 174.900 -0.152 0.000 1.131 164 G CA 0.503 45.539 45.100 -0.105 0.000 0.785 164 G HN 0.419 nan 8.290 nan 0.000 0.539 165 F N 0.507 120.530 119.950 0.122 0.000 2.480 165 F HA 0.439 4.965 4.527 -0.002 0.000 0.329 165 F C 0.505 176.444 175.800 0.231 0.000 1.091 165 F CA -1.388 56.682 58.000 0.117 0.000 0.972 165 F CB 1.612 40.651 39.000 0.064 0.000 1.150 165 F HN -0.031 nan 8.300 nan 0.000 0.467 166 E N 1.133 121.577 120.200 0.405 0.000 2.392 166 E HA 0.091 4.440 4.350 -0.002 0.000 0.256 166 E C -0.516 176.283 176.600 0.332 0.000 1.145 166 E CA -0.455 56.160 56.400 0.358 0.000 0.929 166 E CB 0.495 30.315 29.700 0.199 0.000 0.998 166 E HN 0.530 nan 8.360 nan 0.000 0.442 167 E N 0.055 120.462 120.200 0.345 0.000 2.480 167 E HA 0.052 4.401 4.350 -0.002 0.000 0.258 167 E C 0.709 177.379 176.600 0.116 0.000 0.984 167 E CA 0.683 57.208 56.400 0.208 0.000 0.930 167 E CB 0.345 30.176 29.700 0.218 0.000 0.936 167 E HN 0.812 nan 8.360 nan 0.000 0.466 168 G N 3.432 112.265 108.800 0.056 0.000 2.199 168 G HA2 -0.329 3.630 3.960 -0.002 0.000 0.254 168 G HA3 -0.329 3.630 3.960 -0.002 0.000 0.254 168 G C 1.069 175.951 174.900 -0.031 0.000 0.982 168 G CA 0.432 45.540 45.100 0.013 0.000 0.632 168 G HN 0.447 nan 8.290 nan 0.000 0.529 169 K N 0.681 121.065 120.400 -0.028 0.000 2.418 169 K HA 0.666 4.985 4.320 -0.002 0.000 0.195 169 K C 0.926 177.319 176.600 -0.346 0.000 1.035 169 K CA 1.302 57.534 56.287 -0.092 0.000 1.003 169 K CB 0.301 32.841 32.500 0.066 0.000 0.793 169 K HN 1.348 nan 8.250 nan 0.000 0.494 170 A N -0.851 121.738 122.820 -0.386 0.000 2.599 170 A HA 0.584 4.903 4.320 -0.002 0.000 0.294 170 A C -1.278 176.135 177.584 -0.286 0.000 1.055 170 A CA -0.720 51.003 52.037 -0.523 0.000 0.683 170 A CB 0.498 18.842 19.000 -1.094 0.000 1.278 170 A HN 0.236 nan 8.150 nan 0.000 0.412 171 C N 0.129 119.286 119.300 -0.239 0.000 3.239 171 C HA 0.837 5.296 4.460 -0.002 0.000 0.317 171 C C -1.089 173.794 174.990 -0.179 0.000 1.310 171 C CA -0.845 58.091 59.018 -0.138 0.000 1.371 171 C CB 0.429 28.099 27.740 -0.117 0.000 1.714 171 C HN 1.444 nan 8.230 nan 0.000 0.473 172 L N 2.420 123.564 121.223 -0.132 0.000 2.312 172 L HA 0.706 5.045 4.340 -0.002 0.000 0.281 172 L C 0.153 176.810 176.870 -0.355 0.000 1.070 172 L CA 0.305 54.974 54.840 -0.286 0.000 0.805 172 L CB 0.500 42.357 42.059 -0.336 0.000 1.174 172 L HN 0.804 nan 8.230 nan 0.000 0.434 173 R N 3.545 123.709 120.500 -0.561 0.000 2.750 173 R HA 0.725 5.064 4.340 -0.002 0.000 0.281 173 R C -1.010 175.019 176.300 -0.452 0.000 0.972 173 R CA -0.968 54.806 56.100 -0.543 0.000 0.912 173 R CB 1.824 31.685 30.300 -0.732 0.000 1.187 173 R HN 0.755 nan 8.270 nan 0.000 0.464 174 A N 1.920 124.570 122.820 -0.283 0.000 2.363 174 A HA 0.189 4.508 4.320 -0.002 0.000 0.270 174 A C -0.033 177.504 177.584 -0.078 0.000 1.121 174 A CA -0.246 51.680 52.037 -0.186 0.000 0.800 174 A CB 0.356 19.138 19.000 -0.364 0.000 1.052 174 A HN 0.616 nan 8.150 nan 0.000 0.493 175 K N 3.710 124.168 120.400 0.097 0.000 2.206 175 K HA 0.435 4.754 4.320 -0.002 0.000 0.268 175 K C -0.241 176.382 176.600 0.038 0.000 1.111 175 K CA -0.118 56.272 56.287 0.171 0.000 0.955 175 K CB -0.170 32.471 32.500 0.235 0.000 1.406 175 K HN 0.758 nan 8.250 nan 0.000 0.427 176 I N 0.589 121.092 120.570 -0.111 0.000 5.420 176 I HA 0.219 4.388 4.170 -0.002 0.000 0.236 176 I C -0.209 175.875 176.117 -0.054 0.000 0.905 176 I CA -0.464 60.727 61.300 -0.181 0.000 2.003 176 I CB 0.366 38.065 38.000 -0.502 0.000 1.473 176 I HN 0.415 nan 8.210 nan 0.000 0.475 177 D N 0.053 120.418 120.400 -0.058 0.000 2.613 177 D HA 0.242 4.881 4.640 -0.002 0.000 0.230 177 D C 0.233 176.534 176.300 0.003 0.000 1.365 177 D CA -0.319 53.677 54.000 -0.006 0.000 0.976 177 D CB 1.213 42.020 40.800 0.013 0.000 1.415 177 D HN 0.097 nan 8.370 nan 0.000 0.589 178 M N 2.025 121.636 119.600 0.017 0.000 2.632 178 M HA 0.120 4.599 4.480 -0.002 0.000 0.256 178 M C 1.273 177.587 176.300 0.023 0.000 1.080 178 M CA 0.557 55.874 55.300 0.028 0.000 1.084 178 M CB -0.769 31.858 32.600 0.046 0.000 1.439 178 M HN 0.506 nan 8.290 nan 0.000 0.509 179 A N -0.992 121.839 122.820 0.019 0.000 2.470 179 A HA 0.198 4.517 4.320 -0.002 0.000 0.251 179 A C 1.019 178.613 177.584 0.017 0.000 1.245 179 A CA -0.164 51.880 52.037 0.013 0.000 0.932 179 A CB 0.001 19.007 19.000 0.009 0.000 1.037 179 A HN 0.290 nan 8.150 nan 0.000 0.522 180 S N 1.192 116.912 115.700 0.033 0.000 2.560 180 S HA 0.224 4.693 4.470 -0.002 0.000 0.284 180 S C -0.933 173.685 174.600 0.030 0.000 1.327 180 S CA -0.766 57.472 58.200 0.062 0.000 1.055 180 S CB 0.688 63.953 63.200 0.109 0.000 0.868 180 S HN 0.306 nan 8.310 nan 0.000 0.506 181 P HA 0.029 nan 4.420 nan 0.000 0.225 181 P C -0.175 176.983 177.300 -0.235 0.000 1.156 181 P CA 0.658 63.662 63.100 -0.161 0.000 0.787 181 P CB -0.071 31.474 31.700 -0.258 0.000 0.802 182 F N -0.108 119.835 119.950 -0.012 0.000 2.438 182 F HA 0.153 4.679 4.527 -0.002 0.000 0.360 182 F C 1.871 177.659 175.800 -0.020 0.000 1.118 182 F CA -0.503 57.489 58.000 -0.013 0.000 1.164 182 F CB 0.053 39.048 39.000 -0.009 0.000 1.131 182 F HN -0.301 nan 8.300 nan 0.000 0.527 183 I N 2.794 123.429 120.570 0.109 0.000 2.335 183 I HA -0.216 3.953 4.170 -0.002 0.000 0.251 183 I C 2.225 178.382 176.117 0.066 0.000 1.129 183 I CA 0.986 62.323 61.300 0.063 0.000 1.402 183 I CB -0.385 37.633 38.000 0.031 0.000 1.069 183 I HN 0.537 nan 8.210 nan 0.000 0.424 184 V N 0.523 120.494 119.914 0.095 0.000 2.759 184 V HA -0.167 3.952 4.120 -0.002 0.000 0.256 184 V C 1.970 178.061 176.094 -0.006 0.000 1.080 184 V CA 1.277 63.608 62.300 0.052 0.000 1.101 184 V CB -0.216 31.652 31.823 0.075 0.000 0.698 184 V HN 0.319 nan 8.190 nan 0.000 0.477 185 M N -0.185 119.419 119.600 0.006 0.000 2.494 185 M HA 0.221 4.700 4.480 -0.002 0.000 0.232 185 M C 0.620 176.868 176.300 -0.086 0.000 1.137 185 M CA 0.465 55.710 55.300 -0.091 0.000 1.012 185 M CB -0.354 32.215 32.600 -0.052 0.000 1.567 185 M HN 0.201 nan 8.290 nan 0.000 0.486 186 R N 1.953 122.434 120.500 -0.032 0.000 3.657 186 R HA 0.163 4.502 4.340 -0.002 0.000 0.220 186 R C -0.769 175.515 176.300 -0.028 0.000 1.548 186 R CA -0.241 55.849 56.100 -0.015 0.000 1.465 186 R CB -0.618 29.692 30.300 0.017 0.000 1.330 186 R HN 0.144 nan 8.270 nan 0.000 0.707 187 D N 1.942 122.299 120.400 -0.071 0.000 2.904 187 D HA -0.110 4.529 4.640 -0.002 0.000 0.231 187 D C -2.267 173.969 176.300 -0.106 0.000 1.185 187 D CA 0.606 54.562 54.000 -0.073 0.000 0.783 187 D CB -0.296 40.535 40.800 0.051 0.000 0.961 187 D HN 0.353 nan 8.370 nan 0.000 0.409 188 P HA 0.026 nan 4.420 nan 0.000 0.268 188 P C 0.171 177.385 177.300 -0.143 0.000 1.205 188 P CA -0.416 62.615 63.100 -0.114 0.000 0.771 188 P CB 0.929 32.568 31.700 -0.102 0.000 0.858 189 V N 4.475 124.323 119.914 -0.110 0.000 2.585 189 V HA -0.085 4.034 4.120 -0.002 0.000 0.296 189 V C 1.745 177.753 176.094 -0.143 0.000 1.035 189 V CA 0.380 62.601 62.300 -0.132 0.000 1.084 189 V CB 0.383 32.156 31.823 -0.084 0.000 0.953 189 V HN 0.479 nan 8.190 nan 0.000 0.483 190 L N 5.152 126.245 121.223 -0.215 0.000 2.286 190 L HA 0.333 4.672 4.340 -0.002 0.000 0.203 190 L C 0.021 176.666 176.870 -0.376 0.000 1.068 190 L CA 1.075 55.707 54.840 -0.347 0.000 0.811 190 L CB -0.316 41.422 42.059 -0.535 0.000 0.989 190 L HN 0.577 nan 8.230 nan 0.000 0.467 191 Y N -0.774 119.427 120.300 -0.166 0.000 2.492 191 Y HA 0.576 5.125 4.550 -0.002 0.000 0.346 191 Y C -0.310 175.569 175.900 -0.034 0.000 0.997 191 Y CA -1.252 56.820 58.100 -0.048 0.000 1.025 191 Y CB 1.560 40.059 38.460 0.067 0.000 1.263 191 Y HN -0.027 nan 8.280 nan 0.000 0.454 192 R N 1.074 121.659 120.500 0.142 0.000 2.808 192 R HA 0.693 5.032 4.340 -0.002 0.000 0.272 192 R C -1.887 174.468 176.300 0.091 0.000 0.995 192 R CA -0.961 55.189 56.100 0.083 0.000 0.917 192 R CB 0.809 31.137 30.300 0.045 0.000 1.217 192 R HN 0.561 nan 8.270 nan 0.000 0.471 193 I N 1.191 121.779 120.570 0.030 0.000 2.342 193 I HA 0.360 4.529 4.170 -0.002 0.000 0.291 193 I C -0.428 175.676 176.117 -0.022 0.000 1.010 193 I CA -0.516 60.751 61.300 -0.053 0.000 1.308 193 I CB 1.139 39.079 38.000 -0.100 0.000 1.400 193 I HN 0.402 nan 8.210 nan 0.000 0.488 194 K N 6.023 126.417 120.400 -0.010 0.000 2.613 194 K HA 0.402 4.721 4.320 -0.002 0.000 0.248 194 K C -1.126 175.503 176.600 0.049 0.000 0.959 194 K CA -0.268 56.073 56.287 0.090 0.000 0.855 194 K CB 0.978 33.586 32.500 0.180 0.000 1.143 194 K HN 0.263 nan 8.250 nan 0.000 0.437 195 F N 2.703 122.758 119.950 0.176 0.000 2.605 195 F HA 0.423 4.949 4.527 -0.002 0.000 0.352 195 F C 0.476 176.364 175.800 0.146 0.000 1.236 195 F CA -0.318 57.775 58.000 0.154 0.000 1.267 195 F CB 0.454 39.514 39.000 0.099 0.000 1.632 195 F HN 0.386 nan 8.300 nan 0.000 0.639 196 A N 1.689 124.690 122.820 0.301 0.000 2.486 196 A HA 0.485 4.804 4.320 -0.002 0.000 0.300 196 A C -0.651 177.075 177.584 0.237 0.000 1.048 196 A CA -0.825 51.338 52.037 0.210 0.000 0.696 196 A CB 1.077 20.144 19.000 0.113 0.000 1.278 196 A HN 0.440 nan 8.150 nan 0.000 0.405 197 E N 1.459 121.768 120.200 0.182 0.000 2.354 197 E HA 0.154 4.503 4.350 -0.002 0.000 0.269 197 E C -0.794 175.920 176.600 0.190 0.000 1.036 197 E CA -0.273 56.244 56.400 0.195 0.000 0.876 197 E CB 0.441 30.221 29.700 0.133 0.000 1.009 197 E HN 0.698 nan 8.360 nan 0.000 0.416 198 H N 2.767 121.923 119.070 0.143 0.000 2.458 198 H HA 0.065 4.620 4.556 -0.002 0.000 0.330 198 H C 0.563 175.890 175.328 -0.001 0.000 1.111 198 H CA -0.259 55.826 56.048 0.062 0.000 1.245 198 H CB 0.969 30.840 29.762 0.182 0.000 1.456 198 H HN 0.774 nan 8.280 nan 0.000 0.488 199 H N 1.616 120.624 119.070 -0.103 0.000 2.518 199 H HA -0.066 4.489 4.556 -0.002 0.000 0.289 199 H C 0.768 176.103 175.328 0.013 0.000 1.051 199 H CA 1.142 57.153 56.048 -0.062 0.000 1.280 199 H CB 0.461 30.123 29.762 -0.166 0.000 1.380 199 H HN 0.435 nan 8.280 nan 0.000 0.566 200 Q N 0.237 120.027 119.800 -0.017 0.000 2.548 200 Q HA 0.072 4.411 4.340 -0.002 0.000 0.230 200 Q C 1.777 177.757 176.000 -0.034 0.000 0.899 200 Q CA 1.676 57.422 55.803 -0.095 0.000 0.936 200 Q CB 0.216 28.765 28.738 -0.316 0.000 1.114 200 Q HN 0.695 nan 8.270 nan 0.000 0.606 201 T N -1.894 112.695 114.554 0.059 0.000 3.145 201 T HA 0.434 4.783 4.350 -0.002 0.000 0.255 201 T C 1.141 175.938 174.700 0.162 0.000 1.039 201 T CA 0.505 62.659 62.100 0.091 0.000 0.928 201 T CB 0.316 69.290 68.868 0.178 0.000 1.029 201 T HN 0.385 nan 8.240 nan 0.000 0.554 202 G N 2.950 111.850 108.800 0.166 0.000 2.622 202 G HA2 -0.356 3.603 3.960 -0.002 0.000 0.307 202 G HA3 -0.356 3.603 3.960 -0.002 0.000 0.307 202 G C 0.476 175.488 174.900 0.187 0.000 1.226 202 G CA 0.378 45.565 45.100 0.144 0.000 0.997 202 G HN 0.517 nan 8.290 nan 0.000 0.551 203 N N 1.042 119.814 118.700 0.120 0.000 2.273 203 N HA 0.098 4.837 4.740 -0.002 0.000 0.231 203 N C 1.636 177.168 175.510 0.036 0.000 1.134 203 N CA 0.395 53.515 53.050 0.117 0.000 0.856 203 N CB 0.845 39.385 38.487 0.088 0.000 1.068 203 N HN 0.614 nan 8.380 nan 0.000 0.510 204 K N -0.115 120.283 120.400 -0.003 0.000 2.148 204 K HA -0.070 4.249 4.320 -0.002 0.000 0.204 204 K C -0.427 175.904 176.600 -0.447 0.000 1.050 204 K CA 0.953 57.098 56.287 -0.237 0.000 0.942 204 K CB 0.275 32.619 32.500 -0.261 0.000 0.724 204 K HN 0.070 nan 8.250 nan 0.000 0.446 205 W N -0.513 120.702 121.300 -0.141 0.000 2.656 205 W HA 0.224 4.883 4.660 -0.002 0.000 0.327 205 W C 0.537 176.819 176.519 -0.395 0.000 1.041 205 W CA -1.236 55.890 57.345 -0.365 0.000 1.229 205 W CB 1.338 30.410 29.460 -0.647 0.000 1.397 205 W HN 0.070 nan 8.180 nan 0.000 0.479 206 C N 1.353 120.547 119.300 -0.177 0.000 3.183 206 C HA 0.516 4.975 4.460 -0.002 0.000 0.285 206 C C 0.547 175.335 174.990 -0.335 0.000 1.313 206 C CA -0.409 58.457 59.018 -0.253 0.000 1.711 206 C CB -1.703 25.814 27.740 -0.373 0.000 2.135 206 C HN 0.459 nan 8.230 nan 0.000 0.651 207 I N -1.262 119.108 120.570 -0.333 0.000 2.441 207 I HA 0.750 4.919 4.170 -0.002 0.000 0.295 207 I C -1.401 174.445 176.117 -0.451 0.000 0.994 207 I CA -0.780 60.400 61.300 -0.199 0.000 1.144 207 I CB 1.028 38.995 38.000 -0.056 0.000 1.314 207 I HN -0.005 nan 8.210 nan 0.000 0.445 208 Y N 5.186 125.478 120.300 -0.013 0.000 2.462 208 Y HA 0.577 5.126 4.550 -0.002 0.000 0.346 208 Y C -2.459 173.269 175.900 -0.288 0.000 0.976 208 Y CA -2.415 55.542 58.100 -0.238 0.000 1.044 208 Y CB 2.279 40.653 38.460 -0.143 0.000 1.230 208 Y HN 0.455 nan 8.280 nan 0.000 0.455 209 P HA 0.168 nan 4.420 nan 0.000 0.278 209 P C -0.547 176.662 177.300 -0.152 0.000 1.238 209 P CA -0.276 62.484 63.100 -0.566 0.000 0.794 209 P CB 1.027 32.465 31.700 -0.436 0.000 0.955 210 M N 2.219 121.741 119.600 -0.130 0.000 2.202 210 M HA 0.064 4.543 4.480 -0.002 0.000 0.316 210 M C 1.629 177.994 176.300 0.108 0.000 1.138 210 M CA -0.287 55.031 55.300 0.030 0.000 1.151 210 M CB -0.388 32.224 32.600 0.019 0.000 1.422 210 M HN 0.484 nan 8.290 nan 0.000 0.471 211 Y N 1.760 122.106 120.300 0.076 0.000 2.128 211 Y HA -0.255 4.294 4.550 -0.002 0.000 0.284 211 Y C 1.620 177.584 175.900 0.106 0.000 1.154 211 Y CA 2.209 60.370 58.100 0.101 0.000 1.149 211 Y CB -0.114 38.409 38.460 0.104 0.000 0.976 211 Y HN 0.666 nan 8.280 nan 0.000 0.505 212 D N -0.587 119.719 120.400 -0.157 0.000 2.219 212 D HA -0.174 4.465 4.640 -0.002 0.000 0.205 212 D C 1.794 178.029 176.300 -0.108 0.000 0.970 212 D CA 1.226 55.098 54.000 -0.214 0.000 0.851 212 D CB -0.316 40.514 40.800 0.051 0.000 0.943 212 D HN 0.431 nan 8.370 nan 0.000 0.488 213 F N 1.472 121.312 119.950 -0.183 0.000 2.270 213 F HA -0.056 4.470 4.527 -0.002 0.000 0.295 213 F C 2.297 177.980 175.800 -0.195 0.000 1.087 213 F CA 0.980 58.881 58.000 -0.166 0.000 1.365 213 F CB -0.226 38.686 39.000 -0.147 0.000 1.056 213 F HN -0.214 nan 8.300 nan 0.000 0.506 214 T N -1.016 113.422 114.554 -0.193 0.000 2.857 214 T HA -0.163 4.186 4.350 -0.002 0.000 0.266 214 T C 1.981 176.496 174.700 -0.309 0.000 1.048 214 T CA 1.462 63.428 62.100 -0.224 0.000 1.139 214 T CB -0.506 68.352 68.868 -0.017 0.000 0.874 214 T HN 0.372 nan 8.240 nan 0.000 0.455 215 H N 0.741 119.546 119.070 -0.442 0.000 2.363 215 H HA -0.078 4.477 4.556 -0.002 0.000 0.301 215 H C 2.605 177.647 175.328 -0.476 0.000 1.074 215 H CA 1.821 57.613 56.048 -0.427 0.000 1.354 215 H CB -0.264 29.125 29.762 -0.620 0.000 1.397 215 H HN 0.542 nan 8.280 nan 0.000 0.516 216 C N -0.143 118.806 119.300 -0.584 0.000 2.457 216 C HA 0.059 4.518 4.460 -0.002 0.000 0.278 216 C C 2.798 177.349 174.990 -0.731 0.000 1.309 216 C CA 0.109 58.520 59.018 -1.012 0.000 1.735 216 C CB -1.277 25.648 27.740 -1.359 0.000 1.992 216 C HN 0.405 nan 8.230 nan 0.000 0.493 217 I N 2.122 122.301 120.570 -0.653 0.000 2.315 217 I HA -0.139 4.030 4.170 -0.002 0.000 0.248 217 I C 2.775 178.570 176.117 -0.538 0.000 1.117 217 I CA 1.608 62.549 61.300 -0.599 0.000 1.404 217 I CB -0.529 37.087 38.000 -0.640 0.000 1.071 217 I HN 0.317 nan 8.210 nan 0.000 0.419 218 S N 0.511 115.893 115.700 -0.530 0.000 2.382 218 S HA -0.182 4.287 4.470 -0.002 0.000 0.228 218 S C 1.578 175.874 174.600 -0.507 0.000 1.027 218 S CA 1.340 59.189 58.200 -0.584 0.000 0.991 218 S CB -0.282 62.692 63.200 -0.377 0.000 0.823 218 S HN 0.430 nan 8.310 nan 0.000 0.469 219 D N 1.661 121.794 120.400 -0.445 0.000 2.117 219 D HA 0.022 4.661 4.640 -0.002 0.000 0.198 219 D C 2.161 178.275 176.300 -0.310 0.000 0.982 219 D CA 1.194 55.000 54.000 -0.325 0.000 0.828 219 D CB -0.444 40.244 40.800 -0.187 0.000 0.967 219 D HN 0.382 nan 8.370 nan 0.000 0.464 220 A N 0.676 123.285 122.820 -0.351 0.000 1.902 220 A HA -0.097 4.222 4.320 -0.002 0.000 0.217 220 A C 2.374 179.796 177.584 -0.270 0.000 1.181 220 A CA 0.847 52.707 52.037 -0.296 0.000 0.623 220 A CB -0.723 18.070 19.000 -0.345 0.000 0.818 220 A HN 0.202 nan 8.150 nan 0.000 0.443 221 L N -0.868 120.151 121.223 -0.340 0.000 2.217 221 L HA -0.119 4.220 4.340 -0.002 0.000 0.211 221 L C 2.183 178.900 176.870 -0.255 0.000 1.107 221 L CA 1.161 55.821 54.840 -0.301 0.000 0.783 221 L CB -0.389 41.398 42.059 -0.453 0.000 0.919 221 L HN 0.456 nan 8.230 nan 0.000 0.442 222 E N -0.158 119.862 120.200 -0.300 0.000 2.478 222 E HA 0.037 4.386 4.350 -0.002 0.000 0.194 222 E C 1.178 177.578 176.600 -0.333 0.000 1.045 222 E CA 0.444 56.691 56.400 -0.256 0.000 0.868 222 E CB 0.216 29.756 29.700 -0.267 0.000 0.885 222 E HN 0.501 nan 8.360 nan 0.000 0.505 223 G N 1.930 110.566 108.800 -0.273 0.000 2.160 223 G HA2 -0.237 3.722 3.960 -0.002 0.000 0.244 223 G HA3 -0.237 3.722 3.960 -0.002 0.000 0.244 223 G C 0.188 174.906 174.900 -0.303 0.000 1.022 223 G CA -0.297 44.669 45.100 -0.224 0.000 0.741 223 G HN 0.137 nan 8.290 nan 0.000 0.508 224 I N 1.647 122.018 120.570 -0.332 0.000 2.683 224 I HA 0.095 4.264 4.170 -0.002 0.000 0.286 224 I C 2.057 178.083 176.117 -0.153 0.000 1.175 224 I CA 1.312 62.462 61.300 -0.249 0.000 1.429 224 I CB 0.500 38.392 38.000 -0.180 0.000 1.371 224 I HN 0.408 nan 8.210 nan 0.000 0.569 225 T N 3.346 117.804 114.554 -0.160 0.000 2.983 225 T HA 0.058 4.407 4.350 -0.002 0.000 0.250 225 T C 0.685 175.107 174.700 -0.463 0.000 1.037 225 T CA 0.580 62.448 62.100 -0.387 0.000 1.142 225 T CB 0.093 68.556 68.868 -0.675 0.000 0.876 225 T HN 0.552 nan 8.240 nan 0.000 0.455 226 H N 1.174 120.211 119.070 -0.055 0.000 2.887 226 H HA 0.524 5.079 4.556 -0.001 0.000 0.300 226 H C -1.037 174.325 175.328 0.057 0.000 1.038 226 H CA -0.598 55.489 56.048 0.065 0.000 1.352 226 H CB 1.517 31.294 29.762 0.025 0.000 1.473 226 H HN 0.224 nan 8.280 nan 0.000 0.503 227 S N 4.932 120.708 115.700 0.127 0.000 2.400 227 S HA 0.277 4.746 4.470 -0.002 0.000 0.295 227 S C 0.061 174.725 174.600 0.107 0.000 1.113 227 S CA -0.732 57.526 58.200 0.097 0.000 1.064 227 S CB -0.422 62.832 63.200 0.091 0.000 0.990 227 S HN 0.428 nan 8.310 nan 0.000 0.502 228 L N 6.598 127.911 121.223 0.150 0.000 2.276 228 L HA 0.544 4.883 4.340 -0.002 0.000 0.286 228 L C 0.313 177.346 176.870 0.271 0.000 1.024 228 L CA -0.874 54.107 54.840 0.234 0.000 0.826 228 L CB 0.505 42.691 42.059 0.212 0.000 1.211 228 L HN 0.781 nan 8.230 nan 0.000 0.422 229 C N -0.209 119.188 119.300 0.163 0.000 3.235 229 C HA 0.886 5.345 4.460 -0.002 0.000 0.351 229 C C 0.856 175.703 174.990 -0.238 0.000 1.520 229 C CA -0.623 58.393 59.018 -0.004 0.000 1.474 229 C CB 1.442 29.057 27.740 -0.208 0.000 2.019 229 C HN 0.775 nan 8.230 nan 0.000 0.446 230 T N -0.585 113.842 114.554 -0.212 0.000 2.847 230 T HA 0.400 4.749 4.350 -0.002 0.000 0.279 230 T C 0.760 175.421 174.700 -0.066 0.000 0.984 230 T CA -0.487 61.393 62.100 -0.367 0.000 0.988 230 T CB 0.394 69.102 68.868 -0.268 0.000 1.040 230 T HN 0.561 nan 8.240 nan 0.000 0.528 231 L N 0.761 121.906 121.223 -0.129 0.000 2.261 231 L HA -0.008 4.331 4.340 -0.002 0.000 0.216 231 L C 2.277 179.088 176.870 -0.097 0.000 1.114 231 L CA 1.562 56.363 54.840 -0.065 0.000 0.777 231 L CB -1.385 40.634 42.059 -0.066 0.000 0.910 231 L HN 0.754 nan 8.230 nan 0.000 0.440 232 E N -2.111 117.955 120.200 -0.223 0.000 2.478 232 E HA -0.111 4.238 4.350 -0.002 0.000 0.198 232 E C 1.183 177.488 176.600 -0.491 0.000 1.046 232 E CA 0.598 56.771 56.400 -0.378 0.000 0.870 232 E CB -0.231 29.132 29.700 -0.562 0.000 0.818 232 E HN 0.372 nan 8.360 nan 0.000 0.527 233 F N 0.821 120.734 119.950 -0.061 0.000 2.664 233 F HA 0.204 4.730 4.527 -0.002 0.000 0.303 233 F C 1.725 177.512 175.800 -0.022 0.000 1.092 233 F CA -0.115 57.867 58.000 -0.031 0.000 1.305 233 F CB 0.127 39.102 39.000 -0.041 0.000 1.054 233 F HN -0.049 nan 8.300 nan 0.000 0.565 234 Q N 0.347 120.201 119.800 0.089 0.000 2.084 234 Q HA -0.186 4.153 4.340 -0.002 0.000 0.202 234 Q C 1.377 177.426 176.000 0.081 0.000 0.978 234 Q CA 1.622 57.467 55.803 0.071 0.000 0.844 234 Q CB -0.102 28.670 28.738 0.058 0.000 0.898 234 Q HN 0.345 nan 8.270 nan 0.000 0.426 235 D N 0.518 120.983 120.400 0.107 0.000 2.117 235 D HA -0.106 4.533 4.640 -0.002 0.000 0.198 235 D C 1.385 177.724 176.300 0.065 0.000 0.982 235 D CA 0.978 55.078 54.000 0.166 0.000 0.828 235 D CB -0.323 40.608 40.800 0.218 0.000 0.967 235 D HN 0.211 nan 8.370 nan 0.000 0.464 236 N N 0.620 119.388 118.700 0.114 0.000 2.364 236 N HA -0.119 4.620 4.740 -0.002 0.000 0.183 236 N C 1.609 177.185 175.510 0.111 0.000 1.022 236 N CA 0.306 53.450 53.050 0.157 0.000 0.883 236 N CB -0.131 38.567 38.487 0.351 0.000 0.965 236 N HN 0.146 nan 8.380 nan 0.000 0.438 237 R N 0.650 121.173 120.500 0.039 0.000 2.159 237 R HA -0.030 4.309 4.340 -0.002 0.000 0.237 237 R C 1.333 177.624 176.300 -0.016 0.000 1.131 237 R CA 1.125 57.200 56.100 -0.041 0.000 0.982 237 R CB 0.105 30.338 30.300 -0.112 0.000 0.868 237 R HN 0.040 nan 8.270 nan 0.000 0.453 238 R N -0.023 120.409 120.500 -0.114 0.000 2.148 238 R HA -0.068 4.271 4.340 -0.002 0.000 0.227 238 R C 1.888 178.176 176.300 -0.021 0.000 1.103 238 R CA 0.703 56.696 56.100 -0.179 0.000 0.983 238 R CB -0.425 29.526 30.300 -0.582 0.000 0.874 238 R HN 0.189 nan 8.270 nan 0.000 0.451 239 L N -0.991 120.244 121.223 0.020 0.000 2.209 239 L HA 0.021 4.360 4.340 -0.002 0.000 0.207 239 L C 1.743 178.720 176.870 0.178 0.000 1.094 239 L CA 1.346 56.243 54.840 0.094 0.000 0.790 239 L CB -0.586 41.497 42.059 0.040 0.000 0.932 239 L HN 0.159 nan 8.230 nan 0.000 0.447 240 Y N 0.547 120.844 120.300 -0.004 0.000 2.165 240 Y HA -0.261 4.288 4.550 -0.002 0.000 0.286 240 Y C 2.075 177.926 175.900 -0.081 0.000 1.155 240 Y CA 2.214 60.276 58.100 -0.064 0.000 1.164 240 Y CB -0.197 38.214 38.460 -0.083 0.000 0.978 240 Y HN 0.307 nan 8.280 nan 0.000 0.513 241 D N -1.286 119.274 120.400 0.267 0.000 2.162 241 D HA -0.174 4.465 4.640 -0.002 0.000 0.203 241 D C 1.806 178.193 176.300 0.145 0.000 0.967 241 D CA 1.115 55.245 54.000 0.215 0.000 0.840 241 D CB -0.919 40.043 40.800 0.269 0.000 0.972 241 D HN 0.585 nan 8.370 nan 0.000 0.482 242 W N 1.598 122.895 121.300 -0.005 0.000 2.358 242 W HA -0.210 4.449 4.660 -0.002 0.000 0.303 242 W C 1.943 178.431 176.519 -0.051 0.000 1.208 242 W CA 1.202 58.535 57.345 -0.019 0.000 1.274 242 W CB -0.170 29.278 29.460 -0.020 0.000 1.138 242 W HN -0.249 nan 8.180 nan 0.000 0.515 243 V N 1.308 121.334 119.914 0.186 0.000 2.295 243 V HA -0.332 3.787 4.120 -0.002 0.000 0.246 243 V C 2.273 178.186 176.094 -0.300 0.000 1.049 243 V CA 2.071 64.361 62.300 -0.017 0.000 1.024 243 V CB -1.055 30.782 31.823 0.024 0.000 0.648 243 V HN 0.243 nan 8.190 nan 0.000 0.447 244 L N -0.227 120.784 121.223 -0.353 0.000 2.275 244 L HA -0.108 4.231 4.340 -0.002 0.000 0.215 244 L C 1.952 178.649 176.870 -0.289 0.000 1.119 244 L CA 1.028 55.608 54.840 -0.432 0.000 0.790 244 L CB -0.565 41.084 42.059 -0.683 0.000 0.919 244 L HN 0.355 nan 8.230 nan 0.000 0.443 245 D N -0.438 119.826 120.400 -0.227 0.000 2.347 245 D HA -0.054 4.585 4.640 -0.002 0.000 0.213 245 D C 1.358 177.483 176.300 -0.291 0.000 0.985 245 D CA 0.649 54.544 54.000 -0.175 0.000 0.879 245 D CB 0.085 40.812 40.800 -0.122 0.000 0.919 245 D HN 0.281 nan 8.370 nan 0.000 0.526 246 N N 0.337 118.773 118.700 -0.440 0.000 2.184 246 N HA 0.130 4.869 4.740 -0.002 0.000 0.206 246 N C 0.505 175.837 175.510 -0.296 0.000 1.151 246 N CA 0.013 52.789 53.050 -0.457 0.000 0.878 246 N CB 1.680 39.654 38.487 -0.854 0.000 1.014 246 N HN 0.339 nan 8.380 nan 0.000 0.512 247 I N -2.316 118.093 120.570 -0.268 0.000 3.023 247 I HA 0.447 4.616 4.170 -0.002 0.000 0.312 247 I C -0.307 175.733 176.117 -0.128 0.000 1.056 247 I CA -0.729 60.459 61.300 -0.187 0.000 1.033 247 I CB 1.639 39.405 38.000 -0.391 0.000 1.233 247 I HN -0.347 nan 8.210 nan 0.000 0.462 248 T N 4.624 119.194 114.554 0.026 0.000 3.176 248 T HA 0.473 4.822 4.350 -0.002 0.000 0.301 248 T C -0.393 174.348 174.700 0.068 0.000 1.115 248 T CA 0.228 62.357 62.100 0.048 0.000 1.027 248 T CB -0.799 68.123 68.868 0.089 0.000 1.063 248 T HN 0.390 nan 8.240 nan 0.000 0.669 249 I N 5.003 125.534 120.570 -0.066 0.000 2.582 249 I HA 0.429 4.598 4.170 -0.002 0.000 0.292 249 I C -1.708 174.366 176.117 -0.072 0.000 1.066 249 I CA -2.217 59.026 61.300 -0.094 0.000 1.053 249 I CB 2.392 40.223 38.000 -0.281 0.000 1.241 249 I HN 0.162 nan 8.210 nan 0.000 0.421 250 P HA 0.077 nan 4.420 nan 0.000 0.240 250 P C -0.228 177.054 177.300 -0.030 0.000 1.190 250 P CA 0.600 63.681 63.100 -0.032 0.000 0.781 250 P CB 0.178 31.866 31.700 -0.019 0.000 0.931 251 V N -2.702 117.183 119.914 -0.048 0.000 3.074 251 V HA 0.580 4.699 4.120 -0.002 0.000 0.314 251 V C -1.116 174.974 176.094 -0.007 0.000 1.117 251 V CA -1.181 61.108 62.300 -0.018 0.000 1.014 251 V CB 2.138 33.944 31.823 -0.027 0.000 1.057 251 V HN 0.036 nan 8.190 nan 0.000 0.438 252 H N 1.880 120.912 119.070 -0.063 0.000 2.854 252 H HA 0.616 5.171 4.556 -0.002 0.000 0.275 252 H C -2.836 172.487 175.328 -0.008 0.000 1.198 252 H CA -1.761 54.255 56.048 -0.054 0.000 1.489 252 H CB 1.708 31.441 29.762 -0.048 0.000 1.519 252 H HN 0.651 nan 8.280 nan 0.000 0.503 253 P HA 0.090 nan 4.420 nan 0.000 0.269 253 P C -0.607 176.818 177.300 0.209 0.000 1.215 253 P CA -0.374 62.797 63.100 0.119 0.000 0.780 253 P CB 0.709 32.454 31.700 0.074 0.000 0.898 254 R N 1.988 122.506 120.500 0.030 0.000 2.393 254 R HA 0.314 4.653 4.340 -0.002 0.000 0.310 254 R C -0.041 176.012 176.300 -0.412 0.000 0.968 254 R CA -0.646 55.358 56.100 -0.160 0.000 0.867 254 R CB 1.121 31.329 30.300 -0.154 0.000 1.124 254 R HN 0.552 nan 8.270 nan 0.000 0.450 255 Q N 2.569 121.978 119.800 -0.652 0.000 2.256 255 Q HA 0.290 4.629 4.340 -0.002 0.000 0.254 255 Q C -1.302 174.287 176.000 -0.685 0.000 0.916 255 Q CA -0.280 55.156 55.803 -0.612 0.000 0.932 255 Q CB 0.757 29.031 28.738 -0.773 0.000 1.207 255 Q HN 0.444 nan 8.270 nan 0.000 0.426 256 Y N 1.830 122.131 120.300 0.002 0.000 2.406 256 Y HA 0.331 4.880 4.550 -0.001 0.000 0.340 256 Y C -0.891 175.105 175.900 0.159 0.000 0.975 256 Y CA -0.976 57.180 58.100 0.094 0.000 1.056 256 Y CB 2.078 40.582 38.460 0.073 0.000 1.210 256 Y HN 0.614 nan 8.280 nan 0.000 0.448 257 E N 3.491 123.910 120.200 0.365 0.000 2.183 257 E HA 0.566 4.915 4.350 -0.002 0.000 0.271 257 E C -1.205 175.678 176.600 0.473 0.000 0.919 257 E CA -0.692 55.876 56.400 0.280 0.000 0.781 257 E CB 1.507 31.292 29.700 0.141 0.000 1.140 257 E HN 0.395 nan 8.360 nan 0.000 0.402 258 F N -0.875 119.253 119.950 0.296 0.000 2.598 258 F HA 0.718 5.244 4.527 -0.001 0.000 0.327 258 F C 0.024 175.928 175.800 0.174 0.000 1.057 258 F CA -1.469 56.724 58.000 0.322 0.000 0.957 258 F CB 0.911 40.079 39.000 0.279 0.000 1.278 258 F HN 0.310 nan 8.300 nan 0.000 0.484 259 S N 1.155 116.985 115.700 0.217 0.000 2.580 259 S HA 0.448 4.917 4.470 -0.002 0.000 0.274 259 S C -0.103 174.555 174.600 0.096 0.000 1.329 259 S CA -1.041 57.198 58.200 0.065 0.000 1.036 259 S CB 0.823 64.068 63.200 0.075 0.000 0.919 259 S HN 1.018 nan 8.310 nan 0.000 0.515 260 R N 1.009 121.508 120.500 -0.003 0.000 2.615 260 R HA 0.514 4.853 4.340 -0.002 0.000 0.270 260 R C -0.471 175.880 176.300 0.084 0.000 1.081 260 R CA -0.931 55.195 56.100 0.044 0.000 1.154 260 R CB 0.138 30.426 30.300 -0.019 0.000 1.063 260 R HN 0.562 nan 8.270 nan 0.000 0.519 261 L N 2.013 123.302 121.223 0.110 0.000 2.319 261 L HA 0.296 4.635 4.340 -0.002 0.000 0.280 261 L C -1.096 175.804 176.870 0.050 0.000 1.099 261 L CA 0.018 54.914 54.840 0.094 0.000 0.828 261 L CB 0.760 42.901 42.059 0.137 0.000 1.150 261 L HN 0.628 nan 8.230 nan 0.000 0.442 262 N N 6.013 124.737 118.700 0.040 0.000 2.314 262 N HA 0.431 5.170 4.740 -0.002 0.000 0.294 262 N C -1.306 174.229 175.510 0.042 0.000 1.029 262 N CA -0.443 52.611 53.050 0.007 0.000 0.845 262 N CB 2.431 40.907 38.487 -0.019 0.000 1.321 262 N HN 0.586 nan 8.380 nan 0.000 0.481 263 L N 0.899 122.143 121.223 0.035 0.000 2.325 263 L HA 0.337 4.676 4.340 -0.002 0.000 0.278 263 L C 0.740 177.637 176.870 0.046 0.000 1.023 263 L CA -0.674 54.212 54.840 0.075 0.000 0.811 263 L CB 1.890 43.997 42.059 0.080 0.000 1.249 263 L HN 0.447 nan 8.230 nan 0.000 0.431 264 E N 2.356 122.600 120.200 0.074 0.000 2.392 264 E HA -0.049 4.300 4.350 -0.002 0.000 0.264 264 E C -0.715 175.981 176.600 0.161 0.000 1.024 264 E CA 0.126 56.545 56.400 0.032 0.000 0.903 264 E CB 0.317 30.068 29.700 0.086 0.000 0.963 264 E HN 0.501 nan 8.360 nan 0.000 0.432 265 Y N -0.169 120.165 120.300 0.058 0.000 4.668 265 Y HA -0.288 4.261 4.550 -0.002 0.000 0.234 265 Y C 0.168 176.196 175.900 0.213 0.000 1.056 265 Y CA 1.308 59.483 58.100 0.124 0.000 2.025 265 Y CB -1.722 36.813 38.460 0.125 0.000 1.613 265 Y HN 0.485 nan 8.280 nan 0.000 0.653 266 T N -0.731 113.935 114.554 0.188 0.000 2.853 266 T HA 0.690 5.039 4.350 -0.002 0.000 0.311 266 T C -1.039 173.647 174.700 -0.024 0.000 1.307 266 T CA -0.236 61.985 62.100 0.201 0.000 1.019 266 T CB 1.269 70.250 68.868 0.188 0.000 1.264 266 T HN 0.512 nan 8.240 nan 0.000 0.497 267 V N 3.068 122.961 119.914 -0.035 0.000 2.427 267 V HA 0.547 4.666 4.120 -0.002 0.000 0.286 267 V C 0.900 176.914 176.094 -0.132 0.000 1.034 267 V CA -0.741 61.462 62.300 -0.162 0.000 0.893 267 V CB 1.442 33.089 31.823 -0.295 0.000 0.982 267 V HN 0.863 nan 8.190 nan 0.000 0.452 268 M N 1.985 121.463 119.600 -0.203 0.000 2.486 268 M HA 0.138 4.617 4.480 -0.002 0.000 0.264 268 M C 1.420 177.618 176.300 -0.170 0.000 1.125 268 M CA 0.737 55.830 55.300 -0.346 0.000 1.144 268 M CB -0.323 32.039 32.600 -0.396 0.000 1.353 268 M HN 0.914 nan 8.290 nan 0.000 0.466 269 S N 2.042 117.674 115.700 -0.113 0.000 2.737 269 S HA -0.049 4.420 4.470 -0.002 0.000 0.315 269 S C 1.197 175.828 174.600 0.050 0.000 1.236 269 S CA 0.261 58.435 58.200 -0.043 0.000 1.093 269 S CB 0.381 63.497 63.200 -0.141 0.000 0.832 269 S HN 0.307 nan 8.310 nan 0.000 0.507 270 K N 3.649 124.146 120.400 0.161 0.000 2.280 270 K HA -0.071 4.248 4.320 -0.002 0.000 0.202 270 K C 2.281 178.989 176.600 0.180 0.000 1.047 270 K CA 0.515 56.951 56.287 0.248 0.000 0.942 270 K CB -0.055 32.593 32.500 0.247 0.000 0.739 270 K HN 0.488 nan 8.250 nan 0.000 0.457 271 R N 1.909 122.460 120.500 0.085 0.000 2.075 271 R HA -0.083 4.256 4.340 -0.002 0.000 0.232 271 R C 1.550 177.873 176.300 0.038 0.000 1.126 271 R CA 1.533 57.670 56.100 0.062 0.000 0.963 271 R CB 0.096 30.409 30.300 0.021 0.000 0.858 271 R HN 0.144 nan 8.270 nan 0.000 0.435 272 K N 0.161 120.522 120.400 -0.065 0.000 2.116 272 K HA 0.006 4.325 4.320 -0.002 0.000 0.203 272 K C 2.228 178.863 176.600 0.057 0.000 1.052 272 K CA 0.783 56.974 56.287 -0.160 0.000 0.952 272 K CB -0.042 32.027 32.500 -0.718 0.000 0.729 272 K HN 0.167 nan 8.250 nan 0.000 0.446 273 L N 0.905 122.142 121.223 0.022 0.000 2.093 273 L HA -0.174 4.165 4.340 -0.002 0.000 0.208 273 L C 2.122 178.799 176.870 -0.321 0.000 1.085 273 L CA 1.132 55.947 54.840 -0.042 0.000 0.755 273 L CB -0.460 41.653 42.059 0.089 0.000 0.904 273 L HN 0.263 nan 8.230 nan 0.000 0.435 274 N N -0.103 118.491 118.700 -0.176 0.000 2.270 274 N HA -0.180 4.559 4.740 -0.002 0.000 0.181 274 N C 1.733 177.185 175.510 -0.096 0.000 1.016 274 N CA 0.424 53.358 53.050 -0.194 0.000 0.870 274 N CB 0.123 38.705 38.487 0.159 0.000 0.979 274 N HN 0.095 nan 8.380 nan 0.000 0.431 275 L N 0.487 121.735 121.223 0.042 0.000 2.109 275 L HA 0.074 4.413 4.340 -0.002 0.000 0.207 275 L C 1.630 178.539 176.870 0.064 0.000 1.086 275 L CA 1.197 56.099 54.840 0.104 0.000 0.760 275 L CB -0.316 41.902 42.059 0.265 0.000 0.910 275 L HN 0.255 nan 8.230 nan 0.000 0.437 276 L N -1.920 119.353 121.223 0.083 0.000 2.131 276 L HA -0.198 4.141 4.340 -0.002 0.000 0.210 276 L C 2.300 179.097 176.870 -0.122 0.000 1.092 276 L CA 0.827 55.695 54.840 0.046 0.000 0.759 276 L CB -0.529 41.574 42.059 0.073 0.000 0.903 276 L HN 0.116 nan 8.230 nan 0.000 0.435 277 V N -1.138 118.607 119.914 -0.283 0.000 2.346 277 V HA -0.202 3.917 4.120 -0.002 0.000 0.244 277 V C 2.488 178.458 176.094 -0.207 0.000 1.037 277 V CA 2.102 64.189 62.300 -0.355 0.000 1.029 277 V CB -0.490 30.881 31.823 -0.754 0.000 0.663 277 V HN 0.413 nan 8.190 nan 0.000 0.454 278 T N -0.165 114.300 114.554 -0.148 0.000 2.708 278 T HA -0.172 4.177 4.350 -0.002 0.000 0.266 278 T C 1.387 176.018 174.700 -0.116 0.000 1.037 278 T CA 1.687 63.740 62.100 -0.077 0.000 1.146 278 T CB -0.348 68.509 68.868 -0.018 0.000 0.865 278 T HN 0.379 nan 8.240 nan 0.000 0.435 279 D N 0.984 121.281 120.400 -0.171 0.000 2.324 279 D HA 0.052 4.691 4.640 -0.002 0.000 0.235 279 D C 0.469 176.450 176.300 -0.532 0.000 1.095 279 D CA 0.211 54.021 54.000 -0.316 0.000 0.871 279 D CB -0.031 40.577 40.800 -0.321 0.000 0.906 279 D HN 0.192 nan 8.370 nan 0.000 0.522 280 K N -0.750 119.453 120.400 -0.329 0.000 3.069 280 K HA -0.240 4.079 4.320 -0.002 0.000 0.267 280 K C 0.172 176.629 176.600 -0.238 0.000 1.082 280 K CA 0.489 56.632 56.287 -0.240 0.000 0.782 280 K CB -2.990 29.408 32.500 -0.170 0.000 1.230 280 K HN 0.564 nan 8.250 nan 0.000 0.488 281 H N -1.164 117.862 119.070 -0.075 0.000 2.551 281 H HA 0.119 4.674 4.556 -0.002 0.000 0.266 281 H C 1.086 176.366 175.328 -0.080 0.000 0.964 281 H CA 0.507 56.507 56.048 -0.081 0.000 1.180 281 H CB 0.553 30.255 29.762 -0.100 0.000 1.408 281 H HN 0.298 nan 8.280 nan 0.000 0.563 282 V N -2.826 117.088 119.914 -0.001 0.000 3.102 282 V HA 0.212 4.331 4.120 -0.002 0.000 0.312 282 V C 0.677 176.747 176.094 -0.041 0.000 1.135 282 V CA -1.010 61.276 62.300 -0.024 0.000 1.022 282 V CB 2.486 34.275 31.823 -0.056 0.000 1.056 282 V HN 0.042 nan 8.190 nan 0.000 0.436 283 E N 1.435 121.629 120.200 -0.010 0.000 2.110 283 E HA 0.259 4.608 4.350 -0.002 0.000 0.193 283 E C 0.900 177.480 176.600 -0.033 0.000 0.988 283 E CA 1.614 58.016 56.400 0.002 0.000 0.804 283 E CB 0.069 29.800 29.700 0.052 0.000 0.745 283 E HN 1.081 nan 8.360 nan 0.000 0.458 284 G N -1.646 107.111 108.800 -0.071 0.000 2.340 284 G HA2 0.064 4.023 3.960 -0.002 0.000 0.299 284 G HA3 0.064 4.023 3.960 -0.002 0.000 0.299 284 G C -1.080 173.728 174.900 -0.153 0.000 1.291 284 G CA -0.696 44.343 45.100 -0.103 0.000 0.841 284 G HN 0.122 nan 8.290 nan 0.000 0.500 285 W N 0.607 121.750 121.300 -0.262 0.000 2.392 285 W HA 0.063 4.721 4.660 -0.002 0.000 0.279 285 W C 1.895 178.237 176.519 -0.295 0.000 1.225 285 W CA 1.568 58.681 57.345 -0.386 0.000 1.233 285 W CB 0.277 29.147 29.460 -0.982 0.000 1.122 285 W HN 0.560 nan 8.180 nan 0.000 0.561 286 D N -1.080 119.299 120.400 -0.034 0.000 2.491 286 D HA -0.039 4.600 4.640 -0.002 0.000 0.228 286 D C -0.023 176.247 176.300 -0.050 0.000 1.183 286 D CA -0.099 53.885 54.000 -0.026 0.000 0.827 286 D CB -1.005 39.786 40.800 -0.016 0.000 0.989 286 D HN 0.030 nan 8.370 nan 0.000 0.494 287 D N 1.070 121.438 120.400 -0.052 0.000 2.443 287 D HA -0.011 4.628 4.640 -0.002 0.000 0.239 287 D C -1.458 174.768 176.300 -0.122 0.000 1.136 287 D CA -1.357 52.607 54.000 -0.060 0.000 0.879 287 D CB 1.880 42.654 40.800 -0.043 0.000 1.195 287 D HN -0.096 nan 8.370 nan 0.000 0.443 288 P HA -0.063 nan 4.420 nan 0.000 0.223 288 P C 0.621 177.681 177.300 -0.400 0.000 1.144 288 P CA 0.976 63.816 63.100 -0.434 0.000 0.783 288 P CB 0.265 31.419 31.700 -0.910 0.000 0.771 289 R N -2.327 118.024 120.500 -0.248 0.000 2.297 289 R HA 0.175 4.514 4.340 -0.002 0.000 0.197 289 R C 0.786 177.044 176.300 -0.070 0.000 0.943 289 R CA 0.324 56.352 56.100 -0.120 0.000 1.038 289 R CB -0.309 29.968 30.300 -0.038 0.000 0.957 289 R HN 0.185 nan 8.270 nan 0.000 0.484 290 M N 1.871 121.433 119.600 -0.064 0.000 2.235 290 M HA 0.135 4.614 4.480 -0.002 0.000 0.351 290 M C -1.522 174.777 176.300 -0.002 0.000 1.178 290 M CA -2.370 52.925 55.300 -0.008 0.000 1.143 290 M CB 0.742 33.347 32.600 0.008 0.000 1.530 290 M HN -0.132 nan 8.290 nan 0.000 0.461 291 P HA 0.014 nan 4.420 nan 0.000 0.253 291 P C 0.128 177.489 177.300 0.102 0.000 1.260 291 P CA 0.268 63.382 63.100 0.023 0.000 0.800 291 P CB -0.419 31.291 31.700 0.017 0.000 1.162 292 T N -2.102 112.548 114.554 0.160 0.000 2.856 292 T HA 0.110 4.459 4.350 -0.002 0.000 0.306 292 T C 1.582 176.365 174.700 0.138 0.000 1.062 292 T CA -0.621 61.624 62.100 0.241 0.000 1.083 292 T CB 0.594 69.636 68.868 0.291 0.000 0.984 292 T HN -0.251 nan 8.240 nan 0.000 0.542 293 I N 1.977 122.644 120.570 0.162 0.000 2.226 293 I HA -0.166 4.003 4.170 -0.002 0.000 0.245 293 I C 2.903 178.977 176.117 -0.072 0.000 1.100 293 I CA 1.950 63.304 61.300 0.089 0.000 1.374 293 I CB -1.905 36.189 38.000 0.156 0.000 1.057 293 I HN 0.937 nan 8.210 nan 0.000 0.413 294 S N 0.768 116.457 115.700 -0.019 0.000 2.402 294 S HA -0.056 4.413 4.470 -0.002 0.000 0.229 294 S C 2.175 176.711 174.600 -0.107 0.000 1.021 294 S CA 0.946 59.085 58.200 -0.102 0.000 0.974 294 S CB -1.101 62.147 63.200 0.078 0.000 0.800 294 S HN 0.435 nan 8.310 nan 0.000 0.484 295 G N 1.926 110.701 108.800 -0.041 0.000 2.402 295 G HA2 0.021 3.980 3.960 -0.002 0.000 0.216 295 G HA3 0.021 3.980 3.960 -0.002 0.000 0.216 295 G C 1.435 176.274 174.900 -0.103 0.000 1.162 295 G CA 0.714 45.774 45.100 -0.067 0.000 0.777 295 G HN 0.497 nan 8.290 nan 0.000 0.539 296 L N -0.096 121.062 121.223 -0.107 0.000 2.141 296 L HA 0.013 4.352 4.340 -0.002 0.000 0.209 296 L C 2.909 179.784 176.870 0.008 0.000 1.094 296 L CA 0.945 55.718 54.840 -0.112 0.000 0.763 296 L CB -0.289 41.641 42.059 -0.215 0.000 0.908 296 L HN 0.191 nan 8.230 nan 0.000 0.437 297 R N 0.610 121.003 120.500 -0.179 0.000 2.075 297 R HA -0.184 4.155 4.340 -0.002 0.000 0.232 297 R C 2.435 178.665 176.300 -0.115 0.000 1.126 297 R CA 1.487 57.416 56.100 -0.286 0.000 0.963 297 R CB -0.156 29.620 30.300 -0.873 0.000 0.858 297 R HN 0.214 nan 8.270 nan 0.000 0.435 298 R N 0.117 120.541 120.500 -0.128 0.000 2.148 298 R HA -0.121 4.218 4.340 -0.002 0.000 0.227 298 R C 2.238 178.508 176.300 -0.049 0.000 1.103 298 R CA 1.231 57.282 56.100 -0.082 0.000 0.983 298 R CB -0.093 30.149 30.300 -0.097 0.000 0.874 298 R HN 0.028 nan 8.270 nan 0.000 0.451 299 R N -0.480 119.991 120.500 -0.048 0.000 2.115 299 R HA -0.033 4.306 4.340 -0.002 0.000 0.230 299 R C 1.027 177.350 176.300 0.038 0.000 1.111 299 R CA 1.935 58.011 56.100 -0.040 0.000 0.976 299 R CB -0.077 30.227 30.300 0.008 0.000 0.870 299 R HN 0.413 nan 8.270 nan 0.000 0.445 300 G N -3.081 105.769 108.800 0.083 0.000 2.273 300 G HA2 -0.189 3.770 3.960 -0.002 0.000 0.162 300 G HA3 -0.189 3.770 3.960 -0.002 0.000 0.162 300 G C -0.651 174.258 174.900 0.016 0.000 1.006 300 G CA -0.233 44.889 45.100 0.037 0.000 0.704 300 G HN 0.177 nan 8.290 nan 0.000 0.487 301 Y N 2.772 123.095 120.300 0.039 0.000 2.425 301 Y HA 0.433 4.982 4.550 -0.001 0.000 0.331 301 Y C 1.611 177.648 175.900 0.229 0.000 1.157 301 Y CA 0.882 59.034 58.100 0.087 0.000 1.372 301 Y CB 0.843 39.360 38.460 0.095 0.000 1.253 301 Y HN 0.228 nan 8.280 nan 0.000 0.536 302 T N -0.924 113.762 114.554 0.220 0.000 2.913 302 T HA 0.504 4.853 4.350 -0.002 0.000 0.287 302 T C 1.195 175.880 174.700 -0.026 0.000 1.008 302 T CA -0.428 61.746 62.100 0.124 0.000 1.067 302 T CB 1.605 70.455 68.868 -0.030 0.000 0.996 302 T HN 0.749 nan 8.240 nan 0.000 0.513 303 A N 1.685 124.167 122.820 -0.562 0.000 1.940 303 A HA 0.125 4.444 4.320 -0.002 0.000 0.219 303 A C 2.568 179.950 177.584 -0.337 0.000 1.176 303 A CA 1.770 53.328 52.037 -0.799 0.000 0.631 303 A CB -1.442 16.860 19.000 -1.164 0.000 0.814 303 A HN 1.237 nan 8.150 nan 0.000 0.446 304 A N 0.212 122.880 122.820 -0.254 0.000 1.969 304 A HA -0.042 4.277 4.320 -0.002 0.000 0.218 304 A C 2.453 180.005 177.584 -0.054 0.000 1.169 304 A CA 2.079 54.025 52.037 -0.153 0.000 0.635 304 A CB -0.806 18.110 19.000 -0.140 0.000 0.810 304 A HN 0.966 nan 8.150 nan 0.000 0.445 305 S N -0.163 115.531 115.700 -0.011 0.000 2.406 305 S HA -0.017 4.452 4.470 -0.002 0.000 0.228 305 S C 1.785 176.477 174.600 0.153 0.000 1.020 305 S CA 1.181 59.420 58.200 0.065 0.000 0.965 305 S CB -0.603 62.638 63.200 0.067 0.000 0.798 305 S HN 0.478 nan 8.310 nan 0.000 0.488 306 I N 1.368 122.029 120.570 0.152 0.000 2.406 306 I HA -0.029 4.140 4.170 -0.002 0.000 0.249 306 I C 2.950 179.188 176.117 0.202 0.000 1.122 306 I CA 0.782 62.207 61.300 0.208 0.000 1.431 306 I CB -0.211 37.906 38.000 0.194 0.000 1.087 306 I HN 0.215 nan 8.210 nan 0.000 0.424 307 R N 0.403 120.962 120.500 0.098 0.000 2.115 307 R HA -0.180 4.159 4.340 -0.002 0.000 0.230 307 R C 2.139 178.493 176.300 0.089 0.000 1.111 307 R CA 1.102 57.256 56.100 0.090 0.000 0.976 307 R CB -0.171 30.133 30.300 0.008 0.000 0.870 307 R HN 0.205 nan 8.270 nan 0.000 0.445 308 E N 0.557 120.812 120.200 0.093 0.000 2.152 308 E HA -0.153 4.196 4.350 -0.002 0.000 0.192 308 E C 1.444 178.129 176.600 0.142 0.000 0.983 308 E CA 0.892 57.345 56.400 0.089 0.000 0.818 308 E CB -0.215 29.529 29.700 0.073 0.000 0.758 308 E HN 0.207 nan 8.360 nan 0.000 0.467 309 F N 0.211 120.189 119.950 0.045 0.000 2.134 309 F HA -0.173 4.353 4.527 -0.002 0.000 0.299 309 F C 2.069 177.898 175.800 0.047 0.000 1.097 309 F CA 1.378 59.411 58.000 0.054 0.000 1.264 309 F CB -0.674 38.370 39.000 0.073 0.000 1.001 309 F HN 0.122 nan 8.300 nan 0.000 0.479 310 C N 0.570 119.853 119.300 -0.029 0.000 2.422 310 C HA -0.142 4.317 4.460 -0.002 0.000 0.279 310 C C 2.730 177.647 174.990 -0.121 0.000 1.305 310 C CA 1.347 60.288 59.018 -0.130 0.000 1.757 310 C CB -1.244 26.500 27.740 0.006 0.000 1.962 310 C HN 0.529 nan 8.230 nan 0.000 0.499 311 K N 0.668 121.037 120.400 -0.051 0.000 2.097 311 K HA -0.091 4.228 4.320 -0.002 0.000 0.205 311 K C 2.266 178.829 176.600 -0.062 0.000 1.050 311 K CA 1.238 57.500 56.287 -0.041 0.000 0.938 311 K CB -0.101 32.396 32.500 -0.005 0.000 0.718 311 K HN 0.442 nan 8.250 nan 0.000 0.442 312 R N 0.494 120.948 120.500 -0.077 0.000 2.093 312 R HA 0.006 4.345 4.340 -0.002 0.000 0.224 312 R C 2.404 178.632 176.300 -0.119 0.000 1.101 312 R CA 1.507 57.565 56.100 -0.069 0.000 0.979 312 R CB -0.350 29.938 30.300 -0.019 0.000 0.877 312 R HN 0.415 nan 8.270 nan 0.000 0.441 313 I N -1.945 118.477 120.570 -0.246 0.000 2.676 313 I HA 0.190 4.359 4.170 -0.002 0.000 0.259 313 I C 0.932 176.979 176.117 -0.117 0.000 1.194 313 I CA 0.660 61.825 61.300 -0.225 0.000 1.473 313 I CB -0.558 37.199 38.000 -0.406 0.000 1.096 313 I HN 0.152 nan 8.210 nan 0.000 0.443 314 G N 0.990 109.728 108.800 -0.102 0.000 2.795 314 G HA2 -0.139 3.820 3.960 -0.002 0.000 0.664 314 G HA3 -0.139 3.820 3.960 -0.002 0.000 0.664 314 G C -0.725 174.159 174.900 -0.026 0.000 1.381 314 G CA -0.360 44.711 45.100 -0.049 0.000 0.853 314 G HN 0.297 nan 8.290 nan 0.000 0.545 315 V N 2.069 121.991 119.914 0.014 0.000 2.380 315 V HA 0.792 4.911 4.120 -0.002 0.000 0.286 315 V C 0.724 176.978 176.094 0.267 0.000 1.015 315 V CA 0.550 62.894 62.300 0.072 0.000 0.834 315 V CB 0.947 32.712 31.823 -0.097 0.000 1.009 315 V HN 1.700 nan 8.190 nan 0.000 0.428 316 T N 1.339 116.072 114.554 0.299 0.000 2.626 316 T HA 0.518 4.867 4.350 -0.002 0.000 0.279 316 T C 0.213 174.987 174.700 0.124 0.000 0.983 316 T CA -0.690 61.531 62.100 0.202 0.000 1.059 316 T CB 2.277 71.183 68.868 0.062 0.000 1.396 316 T HN 0.299 nan 8.240 nan 0.000 0.519 317 K N -0.306 120.013 120.400 -0.134 0.000 2.387 317 K HA 0.239 4.558 4.320 -0.002 0.000 0.203 317 K C 0.225 176.793 176.600 -0.053 0.000 1.030 317 K CA -0.091 56.127 56.287 -0.115 0.000 1.099 317 K CB 0.625 32.961 32.500 -0.272 0.000 0.863 317 K HN 0.479 nan 8.250 nan 0.000 0.529 318 Q N 1.825 121.608 119.800 -0.029 0.000 2.288 318 Q HA 0.029 4.368 4.340 -0.002 0.000 0.258 318 Q C -0.863 175.136 176.000 -0.001 0.000 0.957 318 Q CA -0.094 55.697 55.803 -0.020 0.000 0.919 318 Q CB 0.832 29.561 28.738 -0.015 0.000 1.185 318 Q HN 0.013 nan 8.270 nan 0.000 0.408 319 D N 2.697 123.090 120.400 -0.012 0.000 2.455 319 D HA 0.076 4.715 4.640 -0.002 0.000 0.241 319 D C -0.524 175.774 176.300 -0.004 0.000 1.138 319 D CA 0.463 54.457 54.000 -0.011 0.000 0.877 319 D CB 0.485 41.270 40.800 -0.024 0.000 1.187 319 D HN 0.614 nan 8.370 nan 0.000 0.451 320 N N -1.358 117.344 118.700 0.004 0.000 2.416 320 N HA 0.588 5.327 4.740 -0.002 0.000 0.276 320 N C -1.568 173.949 175.510 0.011 0.000 1.261 320 N CA -0.823 52.233 53.050 0.010 0.000 0.790 320 N CB 1.774 40.274 38.487 0.021 0.000 1.554 320 N HN -0.003 nan 8.380 nan 0.000 0.481 321 T N 0.985 115.548 114.554 0.016 0.000 3.186 321 T HA 0.359 4.708 4.350 -0.002 0.000 0.320 321 T C -0.671 174.058 174.700 0.049 0.000 0.955 321 T CA -0.314 61.799 62.100 0.022 0.000 1.030 321 T CB 0.068 68.932 68.868 -0.006 0.000 1.013 321 T HN 0.440 nan 8.240 nan 0.000 0.454 322 I N 2.835 123.457 120.570 0.087 0.000 2.575 322 I HA 0.162 4.331 4.170 -0.002 0.000 0.285 322 I C 0.969 177.172 176.117 0.144 0.000 1.085 322 I CA -0.045 61.336 61.300 0.134 0.000 1.403 322 I CB 0.582 38.713 38.000 0.218 0.000 1.409 322 I HN 0.530 nan 8.210 nan 0.000 0.557 323 E N 5.275 125.562 120.200 0.144 0.000 2.343 323 E HA 0.101 4.450 4.350 -0.002 0.000 0.269 323 E C 0.643 177.341 176.600 0.164 0.000 1.047 323 E CA -0.580 55.910 56.400 0.149 0.000 0.874 323 E CB 0.686 30.464 29.700 0.130 0.000 1.033 323 E HN 0.492 nan 8.360 nan 0.000 0.409 324 M N 1.386 121.087 119.600 0.170 0.000 2.267 324 M HA -0.177 4.302 4.480 -0.002 0.000 0.263 324 M C 1.955 178.308 176.300 0.088 0.000 1.063 324 M CA 1.276 56.645 55.300 0.115 0.000 1.090 324 M CB -1.133 31.535 32.600 0.114 0.000 1.392 324 M HN 0.717 nan 8.290 nan 0.000 0.422 325 A N -1.087 121.794 122.820 0.101 0.000 2.024 325 A HA -0.149 4.170 4.320 -0.002 0.000 0.220 325 A C 2.478 180.123 177.584 0.101 0.000 1.164 325 A CA 2.108 54.197 52.037 0.087 0.000 0.643 325 A CB -0.717 18.333 19.000 0.085 0.000 0.806 325 A HN 0.490 nan 8.150 nan 0.000 0.451 326 S N -0.937 114.848 115.700 0.143 0.000 2.371 326 S HA -0.009 4.460 4.470 -0.002 0.000 0.224 326 S C 1.896 176.624 174.600 0.214 0.000 1.029 326 S CA 1.032 59.356 58.200 0.207 0.000 0.978 326 S CB -0.369 63.007 63.200 0.294 0.000 0.833 326 S HN 0.540 nan 8.310 nan 0.000 0.466 327 L N 1.065 122.321 121.223 0.055 0.000 2.027 327 L HA -0.077 4.262 4.340 -0.002 0.000 0.206 327 L C 2.433 179.312 176.870 0.015 0.000 1.074 327 L CA 1.745 56.446 54.840 -0.233 0.000 0.745 327 L CB -0.488 41.310 42.059 -0.434 0.000 0.898 327 L HN 0.432 nan 8.230 nan 0.000 0.433 328 E N -1.006 119.226 120.200 0.053 0.000 2.153 328 E HA -0.233 4.116 4.350 -0.002 0.000 0.194 328 E C 2.188 178.801 176.600 0.021 0.000 0.988 328 E CA 1.289 57.721 56.400 0.053 0.000 0.811 328 E CB -0.061 29.666 29.700 0.046 0.000 0.746 328 E HN 0.359 nan 8.360 nan 0.000 0.466 329 S N 0.093 115.822 115.700 0.050 0.000 2.382 329 S HA -0.171 4.298 4.470 -0.002 0.000 0.228 329 S C 2.106 176.726 174.600 0.032 0.000 1.027 329 S CA 1.105 59.333 58.200 0.046 0.000 0.991 329 S CB -0.280 62.964 63.200 0.073 0.000 0.823 329 S HN 0.398 nan 8.310 nan 0.000 0.469 330 C N 0.580 119.918 119.300 0.064 0.000 2.453 330 C HA 0.071 4.530 4.460 -0.002 0.000 0.277 330 C C 2.416 177.392 174.990 -0.024 0.000 1.262 330 C CA 0.617 59.672 59.018 0.062 0.000 1.718 330 C CB -1.324 26.505 27.740 0.150 0.000 2.031 330 C HN 0.703 nan 8.230 nan 0.000 0.480 331 I N 0.829 121.344 120.570 -0.091 0.000 2.500 331 I HA -0.041 4.128 4.170 -0.002 0.000 0.252 331 I C 2.539 178.445 176.117 -0.351 0.000 1.142 331 I CA 1.322 62.456 61.300 -0.277 0.000 1.451 331 I CB -0.562 37.061 38.000 -0.629 0.000 1.093 331 I HN 0.179 nan 8.210 nan 0.000 0.430 332 R N 0.092 120.438 120.500 -0.257 0.000 2.096 332 R HA -0.193 4.146 4.340 -0.002 0.000 0.235 332 R C 2.213 178.394 176.300 -0.198 0.000 1.127 332 R CA 1.616 57.562 56.100 -0.258 0.000 0.968 332 R CB -0.359 29.916 30.300 -0.041 0.000 0.861 332 R HN 0.509 nan 8.270 nan 0.000 0.440 333 E N 0.704 120.838 120.200 -0.110 0.000 2.051 333 E HA -0.227 4.122 4.350 -0.002 0.000 0.192 333 E C 1.638 178.186 176.600 -0.086 0.000 0.991 333 E CA 1.443 57.806 56.400 -0.061 0.000 0.799 333 E CB -0.002 29.683 29.700 -0.025 0.000 0.748 333 E HN 0.160 nan 8.360 nan 0.000 0.449 334 D N 0.142 120.466 120.400 -0.127 0.000 2.084 334 D HA -0.151 4.488 4.640 -0.002 0.000 0.196 334 D C 1.987 178.190 176.300 -0.161 0.000 0.985 334 D CA 0.804 54.728 54.000 -0.126 0.000 0.826 334 D CB -0.041 40.681 40.800 -0.131 0.000 0.978 334 D HN 0.189 nan 8.370 nan 0.000 0.456 335 L N 1.044 122.077 121.223 -0.316 0.000 2.291 335 L HA -0.035 4.304 4.340 -0.002 0.000 0.214 335 L C 1.970 178.707 176.870 -0.220 0.000 1.120 335 L CA 0.882 55.480 54.840 -0.404 0.000 0.799 335 L CB -1.190 40.343 42.059 -0.878 0.000 0.925 335 L HN 0.098 nan 8.230 nan 0.000 0.446 336 N N -0.628 117.985 118.700 -0.145 0.000 2.244 336 N HA -0.185 4.554 4.740 -0.002 0.000 0.183 336 N C 1.750 177.380 175.510 0.199 0.000 1.016 336 N CA 1.154 54.285 53.050 0.136 0.000 0.866 336 N CB 0.172 38.731 38.487 0.121 0.000 0.980 336 N HN 0.208 nan 8.380 nan 0.000 0.430 337 E N 0.004 120.269 120.200 0.110 0.000 2.051 337 E HA 0.025 4.374 4.350 -0.002 0.000 0.189 337 E C 0.956 177.655 176.600 0.164 0.000 0.979 337 E CA 0.792 57.266 56.400 0.123 0.000 0.803 337 E CB -0.164 29.548 29.700 0.020 0.000 0.761 337 E HN 0.520 nan 8.360 nan 0.000 0.451 338 N N 0.036 118.787 118.700 0.085 0.000 2.322 338 N HA 0.082 4.821 4.740 -0.002 0.000 0.181 338 N C 0.172 175.725 175.510 0.071 0.000 1.088 338 N CA 0.135 53.221 53.050 0.060 0.000 0.885 338 N CB 0.743 39.222 38.487 -0.014 0.000 1.013 338 N HN -0.076 nan 8.380 nan 0.000 0.472 339 A N 3.355 126.220 122.820 0.076 0.000 2.362 339 A HA 0.360 4.679 4.320 -0.002 0.000 0.276 339 A C -2.252 175.377 177.584 0.075 0.000 1.153 339 A CA -1.160 50.909 52.037 0.053 0.000 0.813 339 A CB 0.232 19.314 19.000 0.138 0.000 1.081 339 A HN -0.049 nan 8.150 nan 0.000 0.507 340 P HA 0.258 nan 4.420 nan 0.000 0.281 340 P C -0.465 176.956 177.300 0.203 0.000 1.252 340 P CA -0.272 62.908 63.100 0.134 0.000 0.778 340 P CB 0.874 32.676 31.700 0.171 0.000 0.895 341 R N 1.771 122.321 120.500 0.083 0.000 2.641 341 R HA 0.586 4.925 4.340 -0.002 0.000 0.269 341 R C 0.351 176.697 176.300 0.077 0.000 1.074 341 R CA 0.391 56.528 56.100 0.061 0.000 1.133 341 R CB 0.315 30.589 30.300 -0.043 0.000 1.029 341 R HN 0.617 nan 8.270 nan 0.000 0.488 342 A N 1.973 124.808 122.820 0.026 0.000 2.602 342 A HA 0.621 4.940 4.320 -0.002 0.000 0.290 342 A C -1.500 175.924 177.584 -0.267 0.000 1.114 342 A CA -0.866 51.097 52.037 -0.123 0.000 0.683 342 A CB 1.543 20.436 19.000 -0.177 0.000 1.281 342 A HN 0.438 nan 8.150 nan 0.000 0.416 343 M N 0.683 120.035 119.600 -0.414 0.000 2.227 343 M HA 0.708 5.187 4.480 -0.002 0.000 0.335 343 M C -0.198 175.720 176.300 -0.637 0.000 1.053 343 M CA -0.343 54.680 55.300 -0.462 0.000 0.973 343 M CB 0.791 33.102 32.600 -0.482 0.000 1.623 343 M HN 1.235 nan 8.290 nan 0.000 0.434 344 A N 3.002 125.436 122.820 -0.643 0.000 2.517 344 A HA 0.748 5.067 4.320 -0.002 0.000 0.297 344 A C -1.302 176.114 177.584 -0.279 0.000 1.050 344 A CA -0.649 50.970 52.037 -0.696 0.000 0.694 344 A CB 1.578 19.680 19.000 -1.495 0.000 1.277 344 A HN 0.523 nan 8.150 nan 0.000 0.400 345 V N 4.049 123.872 119.914 -0.152 0.000 2.347 345 V HA 0.275 4.394 4.120 -0.002 0.000 0.280 345 V C 0.877 176.913 176.094 -0.097 0.000 1.021 345 V CA -0.110 62.186 62.300 -0.006 0.000 0.847 345 V CB 1.069 32.903 31.823 0.020 0.000 0.990 345 V HN 0.895 nan 8.190 nan 0.000 0.444 346 I N 2.041 122.587 120.570 -0.040 0.000 2.480 346 I HA 0.062 4.231 4.170 -0.002 0.000 0.251 346 I C 0.684 176.756 176.117 -0.074 0.000 1.124 346 I CA 1.077 62.338 61.300 -0.065 0.000 1.444 346 I CB 0.268 38.277 38.000 0.014 0.000 1.098 346 I HN 0.624 nan 8.210 nan 0.000 0.428 347 D N 2.323 122.706 120.400 -0.028 0.000 2.404 347 D HA 0.229 4.868 4.640 -0.002 0.000 0.267 347 D C -2.512 173.782 176.300 -0.010 0.000 1.194 347 D CA -2.412 51.570 54.000 -0.030 0.000 0.910 347 D CB 1.218 42.024 40.800 0.010 0.000 1.090 347 D HN -0.048 nan 8.370 nan 0.000 0.511 348 P HA 0.237 nan 4.420 nan 0.000 0.282 348 P C -0.849 176.523 177.300 0.120 0.000 1.249 348 P CA -0.649 62.453 63.100 0.004 0.000 0.806 348 P CB 2.065 33.624 31.700 -0.234 0.000 0.984 349 V N 2.500 122.572 119.914 0.264 0.000 2.760 349 V HA 0.342 4.461 4.120 -0.002 0.000 0.309 349 V C -0.229 176.041 176.094 0.293 0.000 1.077 349 V CA -1.129 61.326 62.300 0.258 0.000 0.910 349 V CB 2.035 33.930 31.823 0.122 0.000 1.008 349 V HN 0.530 nan 8.190 nan 0.000 0.424 350 K N 4.944 125.437 120.400 0.155 0.000 2.350 350 K HA 0.482 4.801 4.320 -0.002 0.000 0.279 350 K C -0.976 175.438 176.600 -0.310 0.000 1.027 350 K CA -0.211 55.937 56.287 -0.232 0.000 0.969 350 K CB 0.879 33.126 32.500 -0.421 0.000 0.954 350 K HN 0.691 nan 8.250 nan 0.000 0.474 351 L N 6.512 127.507 121.223 -0.379 0.000 2.377 351 L HA 0.340 4.679 4.340 -0.002 0.000 0.270 351 L C -0.954 175.653 176.870 -0.438 0.000 0.991 351 L CA -0.925 53.684 54.840 -0.384 0.000 0.851 351 L CB 1.413 43.317 42.059 -0.259 0.000 1.218 351 L HN 0.547 nan 8.230 nan 0.000 0.420 352 V N 2.911 122.522 119.914 -0.505 0.000 2.567 352 V HA 0.549 4.668 4.120 -0.002 0.000 0.289 352 V C -0.020 175.913 176.094 -0.268 0.000 1.049 352 V CA -0.363 61.694 62.300 -0.405 0.000 0.969 352 V CB 1.614 33.200 31.823 -0.394 0.000 0.995 352 V HN 0.639 nan 8.190 nan 0.000 0.471 353 I N 3.903 124.348 120.570 -0.209 0.000 2.337 353 I HA 0.368 4.537 4.170 -0.002 0.000 0.285 353 I C 1.078 177.201 176.117 0.009 0.000 1.041 353 I CA -0.189 61.058 61.300 -0.088 0.000 1.199 353 I CB 1.286 39.196 38.000 -0.151 0.000 1.370 353 I HN 0.793 nan 8.210 nan 0.000 0.470 354 E N 3.364 123.607 120.200 0.070 0.000 2.153 354 E HA -0.204 4.145 4.350 -0.002 0.000 0.194 354 E C 1.661 178.317 176.600 0.093 0.000 0.988 354 E CA 0.745 57.201 56.400 0.092 0.000 0.811 354 E CB 0.021 29.791 29.700 0.118 0.000 0.746 354 E HN 0.581 nan 8.360 nan 0.000 0.466 355 N N 0.276 119.057 118.700 0.135 0.000 2.512 355 N HA -0.127 4.612 4.740 -0.002 0.000 0.183 355 N C -0.315 175.344 175.510 0.248 0.000 1.073 355 N CA 0.280 53.435 53.050 0.174 0.000 0.911 355 N CB 0.095 38.706 38.487 0.206 0.000 0.964 355 N HN 0.093 nan 8.380 nan 0.000 0.447 356 Y N 2.085 122.407 120.300 0.038 0.000 2.377 356 Y HA 0.138 4.687 4.550 -0.002 0.000 0.330 356 Y C -0.430 175.444 175.900 -0.043 0.000 1.108 356 Y CA -0.388 57.659 58.100 -0.089 0.000 1.308 356 Y CB 0.526 38.800 38.460 -0.310 0.000 1.216 356 Y HN 0.052 nan 8.280 nan 0.000 0.518 357 Q N 3.844 123.272 119.800 -0.620 0.000 2.331 357 Q HA 0.790 5.129 4.340 -0.002 0.000 0.267 357 Q C -0.106 175.578 176.000 -0.526 0.000 1.006 357 Q CA -0.488 55.074 55.803 -0.401 0.000 0.818 357 Q CB 1.681 30.285 28.738 -0.223 0.000 1.276 357 Q HN 0.979 nan 8.270 nan 0.000 0.450 358 G N 1.514 110.175 108.800 -0.231 0.000 2.343 358 G HA2 -0.047 3.912 3.960 -0.002 0.000 0.562 358 G HA3 -0.047 3.912 3.960 -0.002 0.000 0.562 358 G C -0.654 174.265 174.900 0.032 0.000 1.269 358 G CA -0.570 44.466 45.100 -0.107 0.000 1.011 358 G HN 0.410 nan 8.290 nan 0.000 0.498 359 E N -0.007 120.242 120.200 0.081 0.000 2.498 359 E HA 0.496 4.845 4.350 -0.002 0.000 0.203 359 E C 0.918 177.626 176.600 0.179 0.000 1.013 359 E CA 1.276 57.739 56.400 0.105 0.000 0.927 359 E CB 0.999 30.735 29.700 0.060 0.000 1.012 359 E HN 1.896 nan 8.360 nan 0.000 0.482 360 G N 0.528 109.489 108.800 0.267 0.000 2.351 360 G HA2 0.190 4.149 3.960 -0.002 0.000 0.353 360 G HA3 0.190 4.149 3.960 -0.002 0.000 0.353 360 G C -1.303 173.754 174.900 0.262 0.000 1.358 360 G CA -0.497 44.769 45.100 0.277 0.000 0.995 360 G HN 0.082 nan 8.290 nan 0.000 0.611 361 E N -1.889 118.469 120.200 0.264 0.000 2.433 361 E HA 0.823 5.172 4.350 -0.002 0.000 0.264 361 E C -1.286 175.407 176.600 0.155 0.000 0.960 361 E CA -1.254 55.276 56.400 0.216 0.000 0.866 361 E CB 1.772 31.641 29.700 0.282 0.000 1.615 361 E HN 0.511 nan 8.360 nan 0.000 0.442 362 M N 1.675 121.348 119.600 0.122 0.000 2.142 362 M HA 0.320 4.799 4.480 -0.002 0.000 0.299 362 M C -1.679 174.667 176.300 0.078 0.000 0.960 362 M CA -0.675 54.676 55.300 0.085 0.000 0.920 362 M CB 1.929 34.563 32.600 0.056 0.000 1.541 362 M HN 0.477 nan 8.290 nan 0.000 0.429 363 V N 2.529 122.500 119.914 0.095 0.000 2.612 363 V HA 0.587 4.706 4.120 -0.002 0.000 0.301 363 V C 0.234 176.353 176.094 0.042 0.000 1.046 363 V CA -0.753 61.579 62.300 0.053 0.000 0.946 363 V CB 1.833 33.705 31.823 0.081 0.000 1.003 363 V HN 0.781 nan 8.190 nan 0.000 0.459 364 T N 5.996 120.559 114.554 0.016 0.000 2.771 364 T HA 0.553 4.902 4.350 -0.002 0.000 0.291 364 T C -0.210 174.499 174.700 0.016 0.000 0.954 364 T CA -0.050 62.059 62.100 0.015 0.000 1.045 364 T CB 0.300 69.173 68.868 0.008 0.000 0.917 364 T HN 0.461 nan 8.240 nan 0.000 0.484 365 M N 4.347 123.956 119.600 0.014 0.000 2.465 365 M HA 0.393 4.872 4.480 -0.002 0.000 0.316 365 M C -2.590 173.719 176.300 0.015 0.000 1.121 365 M CA -2.367 52.938 55.300 0.008 0.000 0.934 365 M CB 2.439 35.028 32.600 -0.018 0.000 1.692 365 M HN 0.194 nan 8.290 nan 0.000 0.444 366 P HA 0.203 nan 4.420 nan 0.000 0.280 366 P C -0.241 177.089 177.300 0.049 0.000 1.244 366 P CA -0.279 62.846 63.100 0.042 0.000 0.784 366 P CB 0.569 32.300 31.700 0.052 0.000 0.913 367 N N 0.781 119.525 118.700 0.074 0.000 2.459 367 N HA -0.122 4.617 4.740 -0.002 0.000 0.181 367 N C -0.087 175.500 175.510 0.128 0.000 1.046 367 N CA 1.136 54.243 53.050 0.096 0.000 0.904 367 N CB -0.213 38.340 38.487 0.110 0.000 0.964 367 N HN 0.603 nan 8.380 nan 0.000 0.444 368 H N -1.335 117.762 119.070 0.044 0.000 3.240 368 H HA 0.193 4.749 4.556 -0.000 0.000 0.329 368 H C -2.054 173.293 175.328 0.032 0.000 1.024 368 H CA -1.185 54.889 56.048 0.043 0.000 1.487 368 H CB 2.082 31.869 29.762 0.041 0.000 1.909 368 H HN -0.185 nan 8.280 nan 0.000 0.465 369 P HA -0.156 nan 4.420 nan 0.000 0.217 369 P C 0.455 177.853 177.300 0.163 0.000 1.148 369 P CA 1.191 64.377 63.100 0.142 0.000 0.828 369 P CB 0.304 32.053 31.700 0.081 0.000 0.783 370 N N -1.459 117.400 118.700 0.264 0.000 2.214 370 N HA 0.078 4.817 4.740 -0.002 0.000 0.214 370 N C -0.141 175.361 175.510 -0.013 0.000 1.132 370 N CA 0.373 53.489 53.050 0.111 0.000 0.856 370 N CB 0.358 38.913 38.487 0.114 0.000 1.020 370 N HN 0.192 nan 8.380 nan 0.000 0.509 371 K N 0.924 121.299 120.400 -0.043 0.000 2.723 371 K HA 0.228 4.547 4.320 -0.002 0.000 0.229 371 K C -1.999 174.588 176.600 -0.022 0.000 1.022 371 K CA -1.288 54.923 56.287 -0.126 0.000 1.045 371 K CB 2.553 34.838 32.500 -0.359 0.000 1.227 371 K HN -0.140 nan 8.250 nan 0.000 0.516 372 P HA -0.221 nan 4.420 nan 0.000 0.225 372 P C 0.688 177.995 177.300 0.012 0.000 1.148 372 P CA 1.126 64.236 63.100 0.015 0.000 0.779 372 P CB 0.402 32.109 31.700 0.011 0.000 0.780 373 E N -0.032 120.165 120.200 -0.005 0.000 2.347 373 E HA -0.089 4.260 4.350 -0.002 0.000 0.196 373 E C 1.697 178.302 176.600 0.008 0.000 1.008 373 E CA 0.618 57.016 56.400 -0.003 0.000 0.852 373 E CB -0.833 28.856 29.700 -0.018 0.000 0.783 373 E HN 0.329 nan 8.360 nan 0.000 0.505 374 M N 0.796 120.407 119.600 0.020 0.000 2.659 374 M HA 0.111 4.590 4.480 -0.002 0.000 0.243 374 M C 0.927 177.261 176.300 0.057 0.000 1.111 374 M CA 0.832 56.160 55.300 0.047 0.000 1.070 374 M CB 0.052 32.705 32.600 0.090 0.000 1.525 374 M HN 0.308 nan 8.290 nan 0.000 0.517 375 G N 0.739 109.567 108.800 0.047 0.000 2.615 375 G HA2 -0.193 3.766 3.960 -0.002 0.000 0.218 375 G HA3 -0.193 3.766 3.960 -0.002 0.000 0.218 375 G C -0.449 174.482 174.900 0.051 0.000 1.339 375 G CA -0.345 44.782 45.100 0.044 0.000 0.884 375 G HN 0.605 nan 8.290 nan 0.000 0.559 376 S N -0.783 114.944 115.700 0.045 0.000 2.688 376 S HA 0.908 5.377 4.470 -0.002 0.000 0.275 376 S C -0.638 173.984 174.600 0.037 0.000 1.175 376 S CA 0.307 58.532 58.200 0.041 0.000 0.818 376 S CB 2.578 65.797 63.200 0.032 0.000 1.157 376 S HN 2.156 nan 8.310 nan 0.000 0.482 377 R N 0.291 120.809 120.500 0.029 0.000 2.739 377 R HA 0.547 4.886 4.340 -0.002 0.000 0.271 377 R C -1.911 174.398 176.300 0.015 0.000 1.010 377 R CA -0.669 55.446 56.100 0.024 0.000 0.897 377 R CB 1.072 31.387 30.300 0.024 0.000 1.236 377 R HN 0.633 nan 8.270 nan 0.000 0.466 378 Q N 0.844 120.653 119.800 0.016 0.000 2.274 378 Q HA 0.468 4.807 4.340 -0.002 0.000 0.256 378 Q C -1.114 174.889 176.000 0.005 0.000 0.927 378 Q CA -0.389 55.423 55.803 0.017 0.000 0.939 378 Q CB 1.616 30.367 28.738 0.022 0.000 1.201 378 Q HN 0.463 nan 8.270 nan 0.000 0.426 379 V N 6.967 126.886 119.914 0.008 0.000 2.540 379 V HA 0.539 4.658 4.120 -0.002 0.000 0.302 379 V C -2.261 173.852 176.094 0.031 0.000 1.035 379 V CA -1.890 60.401 62.300 -0.015 0.000 0.873 379 V CB 1.894 33.681 31.823 -0.061 0.000 0.992 379 V HN 0.798 nan 8.190 nan 0.000 0.428 380 P HA 0.246 nan 4.420 nan 0.000 0.276 380 P C -1.061 176.289 177.300 0.083 0.000 1.235 380 P CA -0.082 62.935 63.100 -0.138 0.000 0.772 380 P CB 0.856 32.167 31.700 -0.649 0.000 0.871 381 F N 2.472 122.416 119.950 -0.011 0.000 2.470 381 F HA 0.604 5.131 4.527 -0.001 0.000 0.329 381 F C 0.108 175.784 175.800 -0.206 0.000 1.072 381 F CA 0.007 57.980 58.000 -0.044 0.000 0.989 381 F CB 1.979 40.931 39.000 -0.080 0.000 1.193 381 F HN 0.323 nan 8.300 nan 0.000 0.481 382 S N 1.711 116.653 115.700 -1.263 0.000 2.705 382 S HA 0.537 5.006 4.470 -0.002 0.000 0.280 382 S C 0.508 174.171 174.600 -1.562 0.000 1.174 382 S CA -0.122 57.481 58.200 -0.996 0.000 0.823 382 S CB 0.994 63.945 63.200 -0.415 0.000 1.162 382 S HN 0.948 nan 8.310 nan 0.000 0.487 383 G N 0.107 108.297 108.800 -1.016 0.000 2.426 383 G HA2 0.162 4.121 3.960 -0.002 0.000 0.214 383 G HA3 0.162 4.121 3.960 -0.002 0.000 0.214 383 G C -0.082 174.477 174.900 -0.569 0.000 1.156 383 G CA 0.268 44.920 45.100 -0.746 0.000 0.802 383 G HN 0.655 nan 8.290 nan 0.000 0.534 384 E N 0.930 120.831 120.200 -0.499 0.000 2.014 384 E HA 0.415 4.764 4.350 -0.002 0.000 0.275 384 E C -0.044 176.211 176.600 -0.575 0.000 0.997 384 E CA -0.362 55.734 56.400 -0.508 0.000 0.804 384 E CB 1.224 30.647 29.700 -0.461 0.000 1.090 384 E HN 0.522 nan 8.360 nan 0.000 0.401 385 I N -1.577 118.662 120.570 -0.552 0.000 3.217 385 I HA 0.638 4.807 4.170 -0.002 0.000 0.308 385 I C -0.782 175.094 176.117 -0.402 0.000 1.091 385 I CA -1.210 59.841 61.300 -0.414 0.000 1.013 385 I CB 1.351 39.176 38.000 -0.291 0.000 1.250 385 I HN 0.320 nan 8.210 nan 0.000 0.496 386 W N 2.811 124.057 121.300 -0.090 0.000 2.587 386 W HA 0.712 5.371 4.660 -0.002 0.000 0.324 386 W C -0.416 176.088 176.519 -0.025 0.000 1.040 386 W CA -0.568 56.727 57.345 -0.082 0.000 1.222 386 W CB 1.843 31.256 29.460 -0.078 0.000 1.381 386 W HN 0.441 nan 8.180 nan 0.000 0.483 387 I N -1.253 119.448 120.570 0.217 0.000 3.067 387 I HA 0.616 4.785 4.170 -0.002 0.000 0.312 387 I C -0.668 175.490 176.117 0.067 0.000 1.073 387 I CA -1.195 60.154 61.300 0.080 0.000 1.016 387 I CB 1.748 39.776 38.000 0.047 0.000 1.227 387 I HN 0.163 nan 8.210 nan 0.000 0.456 388 D N 1.336 121.721 120.400 -0.025 0.000 2.302 388 D HA 0.237 4.876 4.640 -0.002 0.000 0.248 388 D C 1.050 177.409 176.300 0.097 0.000 1.094 388 D CA -0.311 53.712 54.000 0.038 0.000 0.897 388 D CB 1.150 41.972 40.800 0.037 0.000 1.200 388 D HN 0.408 nan 8.370 nan 0.000 0.429 389 R N 2.875 123.441 120.500 0.109 0.000 2.091 389 R HA -0.149 4.190 4.340 -0.002 0.000 0.238 389 R C 1.666 178.064 176.300 0.164 0.000 1.136 389 R CA 1.274 57.458 56.100 0.141 0.000 0.959 389 R CB -0.918 29.449 30.300 0.111 0.000 0.856 389 R HN 0.547 nan 8.270 nan 0.000 0.437 390 A N 1.214 124.119 122.820 0.141 0.000 2.225 390 A HA -0.114 4.205 4.320 -0.002 0.000 0.215 390 A C 1.034 178.749 177.584 0.219 0.000 1.164 390 A CA 1.257 53.390 52.037 0.161 0.000 0.710 390 A CB -0.109 18.972 19.000 0.135 0.000 0.780 390 A HN 0.160 nan 8.150 nan 0.000 0.473 391 D N -2.124 118.399 120.400 0.204 0.000 2.389 391 D HA 0.146 4.785 4.640 -0.002 0.000 0.206 391 D C -0.422 176.073 176.300 0.324 0.000 1.055 391 D CA 0.153 54.279 54.000 0.211 0.000 0.856 391 D CB 0.185 41.050 40.800 0.108 0.000 0.957 391 D HN 0.402 nan 8.370 nan 0.000 0.509 392 F N 1.887 121.938 119.950 0.167 0.000 2.361 392 F HA 0.411 4.936 4.527 -0.002 0.000 0.364 392 F C -0.186 175.678 175.800 0.106 0.000 1.117 392 F CA -1.006 57.080 58.000 0.142 0.000 1.071 392 F CB 0.748 39.796 39.000 0.079 0.000 1.188 392 F HN -0.433 nan 8.300 nan 0.000 0.464 393 R N 5.077 125.200 120.500 -0.630 0.000 2.360 393 R HA 0.187 4.526 4.340 -0.002 0.000 0.318 393 R C 1.098 176.826 176.300 -0.952 0.000 0.950 393 R CA -0.330 55.328 56.100 -0.736 0.000 0.837 393 R CB 1.172 30.944 30.300 -0.881 0.000 1.165 393 R HN 0.905 nan 8.270 nan 0.000 0.458 394 E N 2.046 121.756 120.200 -0.816 0.000 2.085 394 E HA -0.201 4.148 4.350 -0.002 0.000 0.194 394 E C -0.597 175.843 176.600 -0.267 0.000 0.994 394 E CA 1.485 57.610 56.400 -0.458 0.000 0.801 394 E CB 0.350 29.964 29.700 -0.142 0.000 0.743 394 E HN 0.564 nan 8.360 nan 0.000 0.453 395 E N -0.632 119.410 120.200 -0.263 0.000 2.260 395 E HA 0.691 5.040 4.350 -0.002 0.000 0.266 395 E C -1.275 175.178 176.600 -0.245 0.000 0.887 395 E CA -0.792 55.495 56.400 -0.188 0.000 0.777 395 E CB 2.014 31.644 29.700 -0.118 0.000 1.205 395 E HN 0.176 nan 8.360 nan 0.000 0.414 396 A N 3.142 125.836 122.820 -0.210 0.000 2.589 396 A HA 0.563 4.882 4.320 -0.002 0.000 0.296 396 A C -0.691 176.839 177.584 -0.089 0.000 1.062 396 A CA -1.121 50.776 52.037 -0.232 0.000 0.686 396 A CB 0.974 19.683 19.000 -0.485 0.000 1.282 396 A HN 0.700 nan 8.150 nan 0.000 0.404 397 N N 1.275 119.946 118.700 -0.048 0.000 2.255 397 N HA 0.028 4.767 4.740 -0.002 0.000 0.253 397 N C 0.651 176.194 175.510 0.056 0.000 1.313 397 N CA -0.024 53.031 53.050 0.008 0.000 0.912 397 N CB 0.646 39.141 38.487 0.013 0.000 1.145 397 N HN 0.774 nan 8.380 nan 0.000 0.511 398 K N -0.712 119.718 120.400 0.050 0.000 2.217 398 K HA -0.088 4.231 4.320 -0.002 0.000 0.202 398 K C 1.755 178.398 176.600 0.072 0.000 1.051 398 K CA 0.795 57.116 56.287 0.057 0.000 0.952 398 K CB 0.145 32.668 32.500 0.038 0.000 0.736 398 K HN 0.409 nan 8.250 nan 0.000 0.453 399 Q N -0.227 119.621 119.800 0.079 0.000 2.079 399 Q HA -0.162 4.177 4.340 -0.002 0.000 0.200 399 Q C 0.163 176.225 176.000 0.103 0.000 0.974 399 Q CA 0.912 56.762 55.803 0.078 0.000 0.840 399 Q CB -0.369 28.413 28.738 0.074 0.000 0.898 399 Q HN 0.315 nan 8.270 nan 0.000 0.430 400 Y N 3.192 123.495 120.300 0.004 0.000 2.677 400 Y HA -0.119 4.430 4.550 -0.001 0.000 0.335 400 Y C 1.198 177.103 175.900 0.008 0.000 1.162 400 Y CA 0.561 58.663 58.100 0.003 0.000 1.483 400 Y CB 0.300 38.753 38.460 -0.012 0.000 1.209 400 Y HN 0.017 nan 8.280 nan 0.000 0.528 401 K N 4.691 124.967 120.400 -0.207 0.000 2.373 401 K HA 0.266 4.585 4.320 -0.002 0.000 0.202 401 K C 0.215 176.725 176.600 -0.150 0.000 1.025 401 K CA -0.174 56.048 56.287 -0.109 0.000 1.115 401 K CB 0.645 33.102 32.500 -0.072 0.000 0.858 401 K HN 0.506 nan 8.250 nan 0.000 0.525 402 R N 0.435 120.702 120.500 -0.388 0.000 2.523 402 R HA 0.286 4.625 4.340 -0.002 0.000 0.229 402 R C -0.325 176.030 176.300 0.092 0.000 1.265 402 R CA -1.027 54.948 56.100 -0.208 0.000 1.081 402 R CB 0.167 30.212 30.300 -0.425 0.000 1.540 402 R HN -0.028 nan 8.270 nan 0.000 0.560 403 L N 1.552 122.891 121.223 0.194 0.000 2.433 403 L HA 0.152 4.491 4.340 -0.002 0.000 0.275 403 L C -1.008 176.004 176.870 0.236 0.000 1.128 403 L CA 0.382 55.378 54.840 0.260 0.000 0.875 403 L CB 0.693 42.950 42.059 0.329 0.000 1.171 403 L HN 0.194 nan 8.230 nan 0.000 0.463 404 V N 6.253 126.263 119.914 0.159 0.000 2.630 404 V HA 0.180 4.299 4.120 -0.002 0.000 0.305 404 V C 1.029 177.190 176.094 0.112 0.000 1.046 404 V CA -0.815 61.486 62.300 0.001 0.000 0.934 404 V CB 1.589 33.427 31.823 0.024 0.000 1.003 404 V HN 0.779 nan 8.190 nan 0.000 0.451 405 L N 3.678 124.941 121.223 0.066 0.000 2.351 405 L HA -0.049 4.290 4.340 -0.002 0.000 0.220 405 L C 1.864 178.831 176.870 0.161 0.000 1.127 405 L CA 2.448 57.448 54.840 0.266 0.000 0.786 405 L CB -0.754 41.440 42.059 0.225 0.000 0.914 405 L HN 0.855 nan 8.230 nan 0.000 0.443 406 G N -1.648 107.209 108.800 0.096 0.000 2.524 406 G HA2 -0.030 3.929 3.960 -0.002 0.000 0.210 406 G HA3 -0.030 3.929 3.960 -0.002 0.000 0.210 406 G C 1.012 175.962 174.900 0.083 0.000 1.187 406 G CA -0.044 45.101 45.100 0.075 0.000 0.825 406 G HN 0.249 nan 8.290 nan 0.000 0.558 407 K N 0.457 120.909 120.400 0.086 0.000 2.526 407 K HA 0.374 4.693 4.320 -0.002 0.000 0.256 407 K C -0.073 176.583 176.600 0.094 0.000 1.035 407 K CA -0.478 55.857 56.287 0.079 0.000 1.011 407 K CB 0.950 33.490 32.500 0.068 0.000 1.343 407 K HN 0.307 nan 8.250 nan 0.000 0.510 408 E N -0.386 119.861 120.200 0.078 0.000 2.280 408 E HA 0.403 4.752 4.350 -0.002 0.000 0.264 408 E C -0.845 175.804 176.600 0.082 0.000 1.064 408 E CA -0.837 55.610 56.400 0.079 0.000 0.900 408 E CB 1.358 31.094 29.700 0.061 0.000 1.123 408 E HN 0.250 nan 8.360 nan 0.000 0.418 409 V N -1.610 118.353 119.914 0.083 0.000 3.147 409 V HA 0.651 4.770 4.120 -0.002 0.000 0.306 409 V C -0.808 175.329 176.094 0.072 0.000 1.209 409 V CA -1.396 60.950 62.300 0.076 0.000 1.023 409 V CB 1.708 33.583 31.823 0.087 0.000 1.059 409 V HN 0.709 nan 8.190 nan 0.000 0.435 410 R N 1.895 122.435 120.500 0.067 0.000 2.265 410 R HA 0.652 4.991 4.340 -0.002 0.000 0.314 410 R C -0.754 175.603 176.300 0.094 0.000 1.053 410 R CA -0.574 55.567 56.100 0.069 0.000 0.931 410 R CB 0.383 30.717 30.300 0.058 0.000 1.024 410 R HN 0.871 nan 8.270 nan 0.000 0.457 411 L N 4.256 125.528 121.223 0.082 0.000 2.371 411 L HA 0.383 4.722 4.340 -0.002 0.000 0.272 411 L C 0.948 177.991 176.870 0.288 0.000 1.124 411 L CA -0.673 54.249 54.840 0.137 0.000 0.816 411 L CB 0.695 42.644 42.059 -0.182 0.000 1.129 411 L HN 0.404 nan 8.230 nan 0.000 0.448 412 R N 2.821 123.624 120.500 0.505 0.000 2.446 412 R HA -0.053 4.286 4.340 -0.002 0.000 0.314 412 R C 0.346 176.864 176.300 0.364 0.000 1.003 412 R CA 0.578 56.880 56.100 0.336 0.000 1.018 412 R CB -0.590 29.834 30.300 0.206 0.000 0.945 412 R HN 0.744 nan 8.270 nan 0.000 0.419 413 N N 0.320 119.124 118.700 0.173 0.000 2.753 413 N HA -0.320 4.419 4.740 -0.002 0.000 0.251 413 N C -0.298 175.242 175.510 0.050 0.000 1.097 413 N CA 1.097 54.207 53.050 0.099 0.000 0.786 413 N CB -0.408 38.133 38.487 0.091 0.000 1.137 413 N HN 0.727 nan 8.380 nan 0.000 0.566 414 A N -1.021 121.808 122.820 0.016 0.000 3.659 414 A HA 0.706 5.025 4.320 -0.002 0.000 0.176 414 A C -1.001 176.339 177.584 -0.407 0.000 0.815 414 A CA -0.401 51.456 52.037 -0.300 0.000 1.012 414 A CB 0.352 19.181 19.000 -0.286 0.000 1.677 414 A HN 0.122 nan 8.150 nan 0.000 0.746 415 Y N -0.544 119.563 120.300 -0.321 0.000 2.376 415 Y HA 0.487 5.037 4.550 -0.001 0.000 0.325 415 Y C 0.320 176.186 175.900 -0.057 0.000 1.199 415 Y CA -0.484 57.521 58.100 -0.159 0.000 1.206 415 Y CB 1.340 39.738 38.460 -0.102 0.000 1.229 415 Y HN 0.194 nan 8.280 nan 0.000 0.480 416 V N 5.425 125.445 119.914 0.176 0.000 2.387 416 V HA 0.105 4.224 4.120 -0.002 0.000 0.260 416 V C 0.397 176.572 176.094 0.134 0.000 1.054 416 V CA -0.329 62.041 62.300 0.116 0.000 0.967 416 V CB -1.140 30.730 31.823 0.078 0.000 1.036 416 V HN 0.568 nan 8.190 nan 0.000 0.481 417 I N 2.508 123.149 120.570 0.117 0.000 3.468 417 I HA 0.661 4.830 4.170 -0.002 0.000 0.299 417 I C -0.001 176.169 176.117 0.089 0.000 1.141 417 I CA -0.768 60.600 61.300 0.113 0.000 0.950 417 I CB 0.931 38.978 38.000 0.078 0.000 1.522 417 I HN 0.401 nan 8.210 nan 0.000 0.699 418 K N 1.652 122.102 120.400 0.084 0.000 2.588 418 K HA 0.520 4.839 4.320 -0.002 0.000 0.250 418 K C -1.357 175.298 176.600 0.091 0.000 0.972 418 K CA -0.559 55.778 56.287 0.084 0.000 0.821 418 K CB 2.017 34.557 32.500 0.066 0.000 1.249 418 K HN 0.927 nan 8.250 nan 0.000 0.442 419 A N 3.040 125.935 122.820 0.125 0.000 2.477 419 A HA 0.159 4.478 4.320 -0.002 0.000 0.246 419 A C 0.463 178.124 177.584 0.129 0.000 1.078 419 A CA 0.394 52.520 52.037 0.148 0.000 0.770 419 A CB 0.579 19.759 19.000 0.300 0.000 1.011 419 A HN 0.914 nan 8.150 nan 0.000 0.494 420 E N 0.280 120.549 120.200 0.115 0.000 2.940 420 E HA 0.194 4.543 4.350 -0.002 0.000 0.203 420 E C 0.283 176.939 176.600 0.093 0.000 0.995 420 E CA 0.316 56.773 56.400 0.094 0.000 1.396 420 E CB 0.540 30.288 29.700 0.080 0.000 1.310 420 E HN 0.575 nan 8.360 nan 0.000 0.613 421 R N 0.759 121.330 120.500 0.118 0.000 2.515 421 R HA 0.391 4.730 4.340 -0.002 0.000 0.278 421 R C -1.664 174.751 176.300 0.190 0.000 1.107 421 R CA -0.412 55.747 56.100 0.098 0.000 0.945 421 R CB 1.542 31.826 30.300 -0.026 0.000 1.219 421 R HN 0.094 nan 8.270 nan 0.000 0.434 422 V N 2.571 122.576 119.914 0.151 0.000 2.997 422 V HA 0.447 4.566 4.120 -0.002 0.000 0.311 422 V C -0.414 175.793 176.094 0.187 0.000 1.066 422 V CA -0.333 62.052 62.300 0.141 0.000 1.039 422 V CB 1.794 33.698 31.823 0.135 0.000 1.081 422 V HN 0.844 nan 8.190 nan 0.000 0.467 423 E N 3.319 123.641 120.200 0.204 0.000 2.283 423 E HA 0.385 4.734 4.350 -0.002 0.000 0.258 423 E C -0.811 175.858 176.600 0.115 0.000 0.893 423 E CA -0.595 55.918 56.400 0.188 0.000 0.798 423 E CB 1.363 31.290 29.700 0.379 0.000 1.242 423 E HN 0.651 nan 8.360 nan 0.000 0.414 424 K N 1.924 122.375 120.400 0.084 0.000 2.583 424 K HA 0.184 4.503 4.320 -0.002 0.000 0.266 424 K C 0.084 176.718 176.600 0.056 0.000 1.037 424 K CA 0.195 56.522 56.287 0.067 0.000 0.996 424 K CB 0.446 32.982 32.500 0.059 0.000 1.307 424 K HN 0.492 nan 8.250 nan 0.000 0.502 425 D N -1.910 118.517 120.400 0.045 0.000 2.932 425 D HA 0.217 4.856 4.640 -0.002 0.000 0.294 425 D C 0.626 176.943 176.300 0.030 0.000 1.119 425 D CA 0.239 54.262 54.000 0.038 0.000 0.980 425 D CB 0.504 41.326 40.800 0.038 0.000 1.361 425 D HN 0.427 nan 8.370 nan 0.000 0.466 426 A N -0.444 122.393 122.820 0.028 0.000 2.557 426 A HA 0.015 4.334 4.320 -0.002 0.000 0.183 426 A C 0.675 178.271 177.584 0.021 0.000 1.851 426 A CA 0.143 52.193 52.037 0.022 0.000 1.521 426 A CB -0.728 18.283 19.000 0.019 0.000 1.343 426 A HN 0.053 nan 8.150 nan 0.000 0.335 427 E N 0.478 120.692 120.200 0.023 0.000 2.411 427 E HA 0.377 4.726 4.350 -0.002 0.000 0.204 427 E C 1.205 177.820 176.600 0.026 0.000 1.059 427 E CA 0.370 56.783 56.400 0.022 0.000 1.112 427 E CB -0.372 29.340 29.700 0.021 0.000 1.168 427 E HN 1.284 nan 8.360 nan 0.000 0.445 428 G N 1.239 110.056 108.800 0.029 0.000 2.257 428 G HA2 -0.351 3.608 3.960 -0.002 0.000 0.267 428 G HA3 -0.351 3.608 3.960 -0.002 0.000 0.267 428 G C 0.181 175.107 174.900 0.043 0.000 0.984 428 G CA 0.665 45.785 45.100 0.033 0.000 0.626 428 G HN 0.437 nan 8.290 nan 0.000 0.540 429 N N -0.106 118.621 118.700 0.044 0.000 2.513 429 N HA 0.568 5.307 4.740 -0.002 0.000 0.274 429 N C 0.392 175.940 175.510 0.064 0.000 1.189 429 N CA -0.439 52.643 53.050 0.054 0.000 0.975 429 N CB 0.970 39.485 38.487 0.047 0.000 1.157 429 N HN 0.290 nan 8.380 nan 0.000 0.465 430 I N 0.596 121.213 120.570 0.079 0.000 2.519 430 I HA 0.066 4.235 4.170 -0.002 0.000 0.287 430 I C 1.291 177.440 176.117 0.055 0.000 1.047 430 I CA -0.024 61.322 61.300 0.076 0.000 1.381 430 I CB 1.190 39.255 38.000 0.109 0.000 1.417 430 I HN 0.775 nan 8.210 nan 0.000 0.540 431 T N -0.528 114.049 114.554 0.037 0.000 3.026 431 T HA 0.092 4.441 4.350 -0.002 0.000 0.245 431 T C 0.629 175.309 174.700 -0.033 0.000 1.004 431 T CA 0.002 62.117 62.100 0.026 0.000 1.069 431 T CB 0.520 69.409 68.868 0.035 0.000 1.005 431 T HN 0.595 nan 8.240 nan 0.000 0.472 432 T N 0.857 115.357 114.554 -0.090 0.000 3.105 432 T HA 0.621 4.970 4.350 -0.002 0.000 0.321 432 T C -1.663 172.806 174.700 -0.385 0.000 1.135 432 T CA -0.860 61.067 62.100 -0.288 0.000 1.053 432 T CB 1.002 69.624 68.868 -0.409 0.000 1.133 432 T HN 0.286 nan 8.240 nan 0.000 0.463 433 I N 4.144 124.409 120.570 -0.509 0.000 2.428 433 I HA 0.527 4.696 4.170 -0.002 0.000 0.296 433 I C -0.771 174.982 176.117 -0.606 0.000 0.985 433 I CA -0.811 60.189 61.300 -0.500 0.000 1.260 433 I CB 1.170 38.795 38.000 -0.626 0.000 1.389 433 I HN 0.534 nan 8.210 nan 0.000 0.484 434 F N 4.157 123.997 119.950 -0.183 0.000 2.449 434 F HA 0.503 5.029 4.527 -0.002 0.000 0.342 434 F C -0.051 175.698 175.800 -0.086 0.000 1.127 434 F CA -0.430 57.499 58.000 -0.118 0.000 0.975 434 F CB 1.365 40.316 39.000 -0.083 0.000 1.146 434 F HN 0.387 nan 8.300 nan 0.000 0.444 435 C N 0.593 119.921 119.300 0.047 0.000 2.973 435 C HA 0.909 5.368 4.460 -0.002 0.000 0.329 435 C C -0.137 174.898 174.990 0.076 0.000 1.327 435 C CA -0.865 58.181 59.018 0.046 0.000 1.632 435 C CB 2.157 29.895 27.740 -0.004 0.000 2.098 435 C HN 0.853 nan 8.230 nan 0.000 0.469 436 T N -0.591 114.016 114.554 0.088 0.000 2.881 436 T HA 0.619 4.968 4.350 -0.002 0.000 0.290 436 T C -0.976 173.810 174.700 0.144 0.000 1.000 436 T CA -0.365 61.803 62.100 0.115 0.000 0.978 436 T CB 1.024 69.932 68.868 0.068 0.000 0.997 436 T HN 0.810 nan 8.240 nan 0.000 0.443 437 Y N 0.690 120.978 120.300 -0.019 0.000 2.432 437 Y HA 0.750 5.299 4.550 -0.002 0.000 0.322 437 Y C -0.457 175.410 175.900 -0.055 0.000 1.246 437 Y CA -1.603 56.470 58.100 -0.045 0.000 1.268 437 Y CB 0.967 39.360 38.460 -0.112 0.000 1.276 437 Y HN 0.605 nan 8.280 nan 0.000 0.499 438 D N 1.700 121.934 120.400 -0.276 0.000 2.373 438 D HA 0.347 4.986 4.640 -0.002 0.000 0.227 438 D C 0.728 176.740 176.300 -0.480 0.000 1.091 438 D CA 0.039 53.834 54.000 -0.342 0.000 0.840 438 D CB 1.666 42.409 40.800 -0.095 0.000 1.060 438 D HN 0.889 nan 8.370 nan 0.000 0.502 439 A N 3.923 126.306 122.820 -0.729 0.000 2.032 439 A HA -0.150 4.169 4.320 -0.002 0.000 0.221 439 A C 0.884 178.487 177.584 0.031 0.000 1.165 439 A CA 1.229 52.996 52.037 -0.449 0.000 0.645 439 A CB -0.106 18.707 19.000 -0.312 0.000 0.807 439 A HN 0.597 nan 8.150 nan 0.000 0.453 440 D N -1.387 119.015 120.400 0.003 0.000 2.481 440 D HA 0.506 5.145 4.640 -0.002 0.000 0.246 440 D C -0.448 175.888 176.300 0.059 0.000 1.109 440 D CA 0.330 54.370 54.000 0.067 0.000 0.845 440 D CB 0.995 41.806 40.800 0.018 0.000 1.160 440 D HN 0.023 nan 8.370 nan 0.000 0.534 441 T N 2.491 117.094 114.554 0.082 0.000 4.734 441 T HA 0.392 4.741 4.350 -0.002 0.000 0.261 441 T C -0.132 174.552 174.700 -0.027 0.000 0.927 441 T CA -0.630 61.495 62.100 0.041 0.000 1.109 441 T CB -1.357 67.560 68.868 0.082 0.000 0.866 441 T HN 0.528 nan 8.240 nan 0.000 0.473 455 V N 0.689 120.624 119.914 0.034 0.000 2.667 455 V HA 0.764 4.883 4.120 -0.002 0.000 0.308 455 V C 0.235 176.380 176.094 0.086 0.000 1.048 455 V CA -0.649 61.693 62.300 0.069 0.000 0.928 455 V CB 1.346 33.214 31.823 0.075 0.000 1.004 455 V HN 0.920 nan 8.190 nan 0.000 0.444 456 I N 0.618 121.265 120.570 0.128 0.000 2.785 456 I HA 0.679 4.848 4.170 -0.002 0.000 0.302 456 I C -0.313 175.943 176.117 0.230 0.000 1.069 456 I CA -0.770 60.616 61.300 0.144 0.000 1.045 456 I CB 2.265 40.313 38.000 0.080 0.000 1.236 456 I HN 0.826 nan 8.210 nan 0.000 0.429 457 H N 2.906 122.053 119.070 0.129 0.000 2.505 457 H HA 0.528 5.083 4.556 -0.002 0.000 0.355 457 H C -1.473 173.949 175.328 0.157 0.000 1.179 457 H CA -0.612 55.478 56.048 0.071 0.000 1.343 457 H CB 1.386 31.107 29.762 -0.069 0.000 1.501 457 H HN 0.940 nan 8.280 nan 0.000 0.569 458 W N -0.205 121.095 121.300 0.001 0.000 3.074 458 W HA 0.563 5.222 4.660 -0.002 0.000 0.332 458 W C -2.365 174.160 176.519 0.010 0.000 1.253 458 W CA -1.087 56.239 57.345 -0.031 0.000 1.180 458 W CB 0.789 30.241 29.460 -0.014 0.000 1.445 458 W HN 0.421 nan 8.180 nan 0.000 0.573 459 V N 2.047 122.093 119.914 0.220 0.000 2.569 459 V HA 0.184 4.303 4.120 -0.002 0.000 0.301 459 V C 0.271 176.533 176.094 0.280 0.000 1.044 459 V CA -0.629 61.736 62.300 0.108 0.000 0.874 459 V CB 1.393 33.272 31.823 0.093 0.000 1.002 459 V HN 0.618 nan 8.190 nan 0.000 0.424 460 S N 3.799 119.658 115.700 0.265 0.000 2.546 460 S HA 0.234 4.703 4.470 -0.002 0.000 0.290 460 S C 1.521 176.134 174.600 0.021 0.000 1.262 460 S CA 0.283 58.540 58.200 0.095 0.000 1.083 460 S CB 0.971 64.242 63.200 0.119 0.000 0.859 460 S HN 1.133 nan 8.310 nan 0.000 0.495 461 A N 5.595 128.256 122.820 -0.266 0.000 1.940 461 A HA 0.041 4.360 4.320 -0.002 0.000 0.219 461 A C 2.387 179.854 177.584 -0.195 0.000 1.176 461 A CA 1.821 53.613 52.037 -0.408 0.000 0.631 461 A CB -1.239 17.217 19.000 -0.906 0.000 0.814 461 A HN 1.249 nan 8.150 nan 0.000 0.446 462 A N -1.095 121.616 122.820 -0.181 0.000 1.969 462 A HA -0.067 4.252 4.320 -0.002 0.000 0.218 462 A C 1.723 179.097 177.584 -0.349 0.000 1.169 462 A CA 1.685 53.561 52.037 -0.269 0.000 0.635 462 A CB -0.612 18.172 19.000 -0.359 0.000 0.810 462 A HN 0.685 nan 8.150 nan 0.000 0.445 463 H N -0.943 118.099 119.070 -0.047 0.000 2.586 463 H HA 0.553 5.108 4.556 -0.001 0.000 0.273 463 H C 0.835 176.168 175.328 0.009 0.000 0.997 463 H CA -0.053 55.989 56.048 -0.011 0.000 1.177 463 H CB 0.004 29.764 29.762 -0.004 0.000 1.471 463 H HN 0.453 nan 8.280 nan 0.000 0.538 464 A N 1.433 124.320 122.820 0.113 0.000 2.488 464 A HA 0.250 4.569 4.320 -0.002 0.000 0.249 464 A C -0.102 177.582 177.584 0.168 0.000 1.083 464 A CA -0.332 51.785 52.037 0.135 0.000 0.768 464 A CB -0.216 18.859 19.000 0.125 0.000 1.017 464 A HN 0.342 nan 8.150 nan 0.000 0.496 465 L N 5.445 126.758 121.223 0.150 0.000 2.281 465 L HA 0.490 4.829 4.340 -0.002 0.000 0.285 465 L C -2.409 174.564 176.870 0.172 0.000 1.074 465 L CA -1.749 53.169 54.840 0.129 0.000 0.817 465 L CB 0.979 43.072 42.059 0.057 0.000 1.168 465 L HN 0.330 nan 8.230 nan 0.000 0.434 466 P HA 0.203 nan 4.420 nan 0.000 0.276 466 P C -1.293 175.960 177.300 -0.078 0.000 1.243 466 P CA 0.034 63.123 63.100 -0.019 0.000 0.768 466 P CB 1.145 32.856 31.700 0.018 0.000 0.856 467 V N 3.480 123.281 119.914 -0.188 0.000 2.760 467 V HA 0.243 4.362 4.120 -0.002 0.000 0.309 467 V C -0.174 175.871 176.094 -0.081 0.000 1.077 467 V CA -0.696 61.574 62.300 -0.049 0.000 0.910 467 V CB 2.162 33.979 31.823 -0.010 0.000 1.008 467 V HN 0.452 nan 8.190 nan 0.000 0.424 468 E N 4.796 125.004 120.200 0.014 0.000 2.167 468 E HA 0.507 4.856 4.350 -0.002 0.000 0.284 468 E C -1.183 175.474 176.600 0.095 0.000 1.016 468 E CA -0.416 55.983 56.400 -0.002 0.000 0.817 468 E CB 0.963 30.656 29.700 -0.011 0.000 1.080 468 E HN 0.575 nan 8.360 nan 0.000 0.397 469 I N 4.854 125.459 120.570 0.060 0.000 2.354 469 I HA 0.329 4.498 4.170 -0.002 0.000 0.292 469 I C 0.102 176.267 176.117 0.079 0.000 0.989 469 I CA -0.597 60.795 61.300 0.153 0.000 1.188 469 I CB 1.458 39.530 38.000 0.121 0.000 1.342 469 I HN 0.361 nan 8.210 nan 0.000 0.457 470 R N 6.949 127.501 120.500 0.087 0.000 2.239 470 R HA 0.516 4.855 4.340 -0.002 0.000 0.332 470 R C -1.200 174.925 176.300 -0.291 0.000 0.988 470 R CA -0.665 55.334 56.100 -0.168 0.000 0.859 470 R CB 0.957 31.129 30.300 -0.214 0.000 1.148 470 R HN 0.520 nan 8.270 nan 0.000 0.482 471 L N 4.793 125.852 121.223 -0.274 0.000 2.261 471 L HA 0.352 4.691 4.340 -0.002 0.000 0.289 471 L C -0.577 176.104 176.870 -0.316 0.000 1.059 471 L CA -0.600 54.127 54.840 -0.190 0.000 0.816 471 L CB 0.075 42.101 42.059 -0.056 0.000 1.191 471 L HN 0.410 nan 8.230 nan 0.000 0.431 472 Y N 1.512 121.799 120.300 -0.023 0.000 2.352 472 Y HA 0.461 5.010 4.550 -0.002 0.000 0.326 472 Y C 0.244 176.119 175.900 -0.041 0.000 1.166 472 Y CA -0.349 57.734 58.100 -0.028 0.000 1.182 472 Y CB 1.433 39.880 38.460 -0.022 0.000 1.216 472 Y HN 0.499 nan 8.280 nan 0.000 0.474 473 D N 0.034 120.504 120.400 0.118 0.000 2.636 473 D HA 0.311 4.950 4.640 -0.002 0.000 0.275 473 D C -1.093 175.214 176.300 0.011 0.000 1.130 473 D CA -0.918 53.100 54.000 0.029 0.000 1.031 473 D CB 1.207 41.998 40.800 -0.015 0.000 1.451 473 D HN 0.448 nan 8.370 nan 0.000 0.505 474 R N 1.365 121.836 120.500 -0.048 0.000 2.570 474 R HA 0.096 4.435 4.340 -0.002 0.000 0.277 474 R C 1.120 177.403 176.300 -0.028 0.000 1.039 474 R CA -0.281 55.799 56.100 -0.033 0.000 1.065 474 R CB -0.070 30.160 30.300 -0.117 0.000 0.964 474 R HN 0.592 nan 8.270 nan 0.000 0.428 475 L N 1.203 122.395 121.223 -0.051 0.000 2.127 475 L HA -0.053 4.286 4.340 -0.002 0.000 0.211 475 L C 0.107 176.678 176.870 -0.499 0.000 1.089 475 L CA 1.469 56.135 54.840 -0.290 0.000 0.757 475 L CB 0.037 41.850 42.059 -0.411 0.000 0.899 475 L HN 0.462 nan 8.230 nan 0.000 0.434 476 F N -2.367 117.655 119.950 0.120 0.000 2.556 476 F HA 0.167 4.692 4.527 -0.002 0.000 0.327 476 F C 1.253 177.171 175.800 0.197 0.000 1.059 476 F CA -0.536 57.548 58.000 0.140 0.000 0.953 476 F CB 1.616 40.710 39.000 0.157 0.000 1.227 476 F HN -0.251 nan 8.300 nan 0.000 0.478 477 S N -0.598 115.311 115.700 0.347 0.000 2.575 477 S HA 0.254 4.723 4.470 -0.002 0.000 0.215 477 S C 0.019 174.813 174.600 0.323 0.000 0.966 477 S CA 0.103 58.465 58.200 0.270 0.000 0.911 477 S CB -0.759 62.532 63.200 0.152 0.000 0.780 477 S HN 0.422 nan 8.310 nan 0.000 0.514 478 V N -2.867 117.219 119.914 0.286 0.000 2.960 478 V HA 0.619 4.738 4.120 -0.002 0.000 0.315 478 V C -2.539 173.414 176.094 -0.235 0.000 1.087 478 V CA -2.419 59.929 62.300 0.080 0.000 0.982 478 V CB 1.404 33.241 31.823 0.024 0.000 1.039 478 V HN -0.173 nan 8.190 nan 0.000 0.437 479 P HA -0.005 nan 4.420 nan 0.000 0.221 479 P C 0.202 177.253 177.300 -0.416 0.000 1.150 479 P CA 1.359 63.977 63.100 -0.803 0.000 0.800 479 P CB 0.113 31.497 31.700 -0.526 0.000 0.787 480 N N -1.064 117.482 118.700 -0.257 0.000 2.762 480 N HA 0.125 4.864 4.740 -0.002 0.000 0.252 480 N C -2.006 173.384 175.510 -0.199 0.000 1.269 480 N CA -2.271 50.659 53.050 -0.200 0.000 0.799 480 N CB 0.465 38.861 38.487 -0.151 0.000 1.173 480 N HN -0.083 nan 8.380 nan 0.000 0.516 481 P HA 0.022 nan 4.420 nan 0.000 0.226 481 P C 1.230 178.354 177.300 -0.294 0.000 1.153 481 P CA 0.570 63.453 63.100 -0.362 0.000 0.777 481 P CB 0.231 31.383 31.700 -0.914 0.000 0.794 482 G N 0.923 109.549 108.800 -0.289 0.000 2.422 482 G HA2 -0.143 3.816 3.960 -0.002 0.000 0.218 482 G HA3 -0.143 3.816 3.960 -0.002 0.000 0.218 482 G C 1.670 176.474 174.900 -0.160 0.000 1.140 482 G CA 0.702 45.648 45.100 -0.255 0.000 0.775 482 G HN 0.367 nan 8.290 nan 0.000 0.545 483 A N 0.140 122.884 122.820 -0.128 0.000 2.206 483 A HA 0.667 4.986 4.320 -0.002 0.000 0.211 483 A C 1.553 179.103 177.584 -0.056 0.000 1.158 483 A CA 0.922 52.908 52.037 -0.086 0.000 0.761 483 A CB -0.289 18.663 19.000 -0.080 0.000 0.801 483 A HN 0.680 nan 8.150 nan 0.000 0.473 484 A N -0.054 122.738 122.820 -0.047 0.000 2.351 484 A HA 0.402 4.721 4.320 -0.002 0.000 0.257 484 A C 0.661 178.258 177.584 0.022 0.000 1.087 484 A CA -0.091 51.942 52.037 -0.006 0.000 0.798 484 A CB 0.308 19.315 19.000 0.012 0.000 1.033 484 A HN 0.305 nan 8.150 nan 0.000 0.488 485 D N -0.030 120.384 120.400 0.024 0.000 2.117 485 D HA -0.073 4.566 4.640 -0.002 0.000 0.198 485 D C -0.178 176.160 176.300 0.064 0.000 0.982 485 D CA 1.567 55.586 54.000 0.032 0.000 0.828 485 D CB 0.221 41.032 40.800 0.019 0.000 0.967 485 D HN 0.584 nan 8.370 nan 0.000 0.464 486 D N -0.481 119.956 120.400 0.063 0.000 2.440 486 D HA 0.033 4.672 4.640 -0.002 0.000 0.252 486 D C 0.702 177.043 176.300 0.069 0.000 1.180 486 D CA -0.680 53.359 54.000 0.065 0.000 0.894 486 D CB 0.492 41.295 40.800 0.004 0.000 1.111 486 D HN -0.100 nan 8.370 nan 0.000 0.544 487 F N 2.981 122.917 119.950 -0.024 0.000 2.293 487 F HA 0.042 4.568 4.527 -0.002 0.000 0.300 487 F C 1.305 177.171 175.800 0.110 0.000 1.086 487 F CA 0.453 58.426 58.000 -0.044 0.000 1.375 487 F CB -0.595 38.309 39.000 -0.159 0.000 1.045 487 F HN 0.270 nan 8.300 nan 0.000 0.516 488 L N 0.891 121.707 121.223 -0.678 0.000 2.093 488 L HA -0.148 4.191 4.340 -0.002 0.000 0.208 488 L C 2.696 179.423 176.870 -0.238 0.000 1.085 488 L CA 1.433 55.950 54.840 -0.539 0.000 0.755 488 L CB -0.898 40.821 42.059 -0.566 0.000 0.904 488 L HN 0.437 nan 8.230 nan 0.000 0.435 489 S N -1.679 113.935 115.700 -0.143 0.000 2.603 489 S HA -0.051 4.418 4.470 -0.002 0.000 0.229 489 S C 1.348 175.941 174.600 -0.012 0.000 0.972 489 S CA 0.239 58.394 58.200 -0.077 0.000 0.935 489 S CB 0.090 63.261 63.200 -0.048 0.000 0.769 489 S HN 0.198 nan 8.310 nan 0.000 0.536 490 V N 1.230 121.178 119.914 0.057 0.000 3.376 490 V HA 0.429 4.548 4.120 -0.002 0.000 0.313 490 V C 0.221 176.464 176.094 0.248 0.000 1.393 490 V CA -0.509 61.875 62.300 0.141 0.000 1.125 490 V CB -0.379 31.528 31.823 0.140 0.000 1.037 490 V HN 0.493 nan 8.190 nan 0.000 0.440 491 I N 1.983 122.619 120.570 0.110 0.000 2.648 491 I HA 0.029 4.198 4.170 -0.002 0.000 0.284 491 I C 0.714 176.787 176.117 -0.073 0.000 1.153 491 I CA 0.277 61.519 61.300 -0.096 0.000 1.426 491 I CB 0.382 38.229 38.000 -0.254 0.000 1.381 491 I HN 0.247 nan 8.210 nan 0.000 0.571 492 N N 9.308 127.944 118.700 -0.106 0.000 2.420 492 N HA 0.119 4.858 4.740 -0.002 0.000 0.262 492 N C -1.548 173.917 175.510 -0.074 0.000 1.144 492 N CA -1.940 51.078 53.050 -0.054 0.000 0.952 492 N CB 0.977 39.440 38.487 -0.041 0.000 1.081 492 N HN 0.295 nan 8.380 nan 0.000 0.480 493 P HA -0.062 nan 4.420 nan 0.000 0.226 493 P C -0.365 176.908 177.300 -0.046 0.000 1.153 493 P CA 1.078 64.148 63.100 -0.051 0.000 0.777 493 P CB 0.395 32.072 31.700 -0.038 0.000 0.794 494 E N -0.026 120.150 120.200 -0.040 0.000 2.511 494 E HA 0.090 4.439 4.350 -0.002 0.000 0.214 494 E C 1.123 177.699 176.600 -0.040 0.000 1.062 494 E CA -0.100 56.276 56.400 -0.039 0.000 1.213 494 E CB 0.084 29.766 29.700 -0.030 0.000 1.214 494 E HN 0.264 nan 8.360 nan 0.000 0.441 495 S N 0.146 115.821 115.700 -0.042 0.000 2.522 495 S HA 0.012 4.481 4.470 -0.002 0.000 0.227 495 S C 0.530 175.141 174.600 0.019 0.000 0.986 495 S CA -0.113 58.078 58.200 -0.015 0.000 0.929 495 S CB 0.104 63.279 63.200 -0.043 0.000 0.769 495 S HN 0.211 nan 8.310 nan 0.000 0.529 496 L N 0.874 122.071 121.223 -0.043 0.000 2.541 496 L HA 0.688 5.027 4.340 -0.002 0.000 0.266 496 L C -1.355 175.434 176.870 -0.136 0.000 0.966 496 L CA -0.696 54.064 54.840 -0.134 0.000 0.871 496 L CB 2.136 44.147 42.059 -0.079 0.000 1.232 496 L HN 0.006 nan 8.230 nan 0.000 0.408 497 V N 6.935 126.748 119.914 -0.169 0.000 2.407 497 V HA 0.600 4.719 4.120 -0.002 0.000 0.291 497 V C -0.422 175.590 176.094 -0.137 0.000 1.018 497 V CA -0.344 61.885 62.300 -0.119 0.000 0.842 497 V CB 1.524 33.300 31.823 -0.078 0.000 0.996 497 V HN 0.699 nan 8.190 nan 0.000 0.426 498 I N 8.076 128.576 120.570 -0.117 0.000 2.342 498 I HA 0.492 4.661 4.170 -0.002 0.000 0.291 498 I C 0.096 176.162 176.117 -0.084 0.000 1.010 498 I CA -0.374 60.861 61.300 -0.108 0.000 1.308 498 I CB 0.968 38.904 38.000 -0.107 0.000 1.400 498 I HN 0.435 nan 8.210 nan 0.000 0.488 499 K N 5.623 125.978 120.400 -0.075 0.000 2.267 499 K HA 0.486 4.805 4.320 -0.002 0.000 0.246 499 K C -0.812 175.717 176.600 -0.118 0.000 0.954 499 K CA -0.915 55.322 56.287 -0.084 0.000 0.824 499 K CB 2.055 34.517 32.500 -0.062 0.000 1.167 499 K HN 0.368 nan 8.250 nan 0.000 0.431 500 Q N 1.001 120.697 119.800 -0.172 0.000 2.381 500 Q HA 0.475 4.814 4.340 -0.002 0.000 0.263 500 Q C 0.039 175.786 176.000 -0.422 0.000 1.030 500 Q CA -0.458 55.185 55.803 -0.268 0.000 0.772 500 Q CB 1.820 30.403 28.738 -0.258 0.000 1.232 500 Q HN 0.875 nan 8.270 nan 0.000 0.476 501 G N 0.920 109.431 108.800 -0.481 0.000 3.209 501 G HA2 0.802 4.761 3.960 -0.002 0.000 0.236 501 G HA3 0.802 4.761 3.960 -0.002 0.000 0.236 501 G C -1.265 173.062 174.900 -0.955 0.000 1.329 501 G CA -0.418 44.314 45.100 -0.612 0.000 1.015 501 G HN 0.306 nan 8.290 nan 0.000 0.571 502 F N -0.274 119.471 119.950 -0.342 0.000 2.556 502 F HA 0.723 5.248 4.527 -0.002 0.000 0.314 502 F C 0.448 176.062 175.800 -0.310 0.000 1.106 502 F CA -0.733 57.082 58.000 -0.308 0.000 0.911 502 F CB 2.471 41.234 39.000 -0.395 0.000 1.190 502 F HN 0.638 nan 8.300 nan 0.000 0.448 503 A N 1.692 124.439 122.820 -0.122 0.000 2.354 503 A HA 0.678 4.997 4.320 -0.002 0.000 0.321 503 A C -0.630 176.836 177.584 -0.197 0.000 1.125 503 A CA -0.835 51.009 52.037 -0.321 0.000 0.799 503 A CB 0.854 19.576 19.000 -0.464 0.000 1.293 503 A HN 0.813 nan 8.150 nan 0.000 0.452 504 E N 2.079 122.109 120.200 -0.283 0.000 2.415 504 E HA 0.115 4.464 4.350 -0.002 0.000 0.262 504 E C -1.745 174.779 176.600 -0.126 0.000 1.038 504 E CA -1.020 55.262 56.400 -0.197 0.000 0.921 504 E CB 0.428 29.965 29.700 -0.271 0.000 0.950 504 E HN 0.368 nan 8.360 nan 0.000 0.438 505 P HA -0.258 nan 4.420 nan 0.000 0.222 505 P C 1.293 178.580 177.300 -0.022 0.000 1.142 505 P CA 1.574 64.671 63.100 -0.007 0.000 0.788 505 P CB 0.068 31.795 31.700 0.044 0.000 0.767 506 S N -0.762 114.904 115.700 -0.057 0.000 2.447 506 S HA -0.077 4.392 4.470 -0.002 0.000 0.233 506 S C 1.756 176.323 174.600 -0.056 0.000 1.006 506 S CA 0.495 58.670 58.200 -0.042 0.000 0.957 506 S CB -1.227 61.943 63.200 -0.050 0.000 0.773 506 S HN -0.035 nan 8.310 nan 0.000 0.507 507 L N 1.434 122.586 121.223 -0.119 0.000 2.622 507 L HA 0.304 4.643 4.340 -0.002 0.000 0.233 507 L C 2.201 179.097 176.870 0.044 0.000 1.156 507 L CA 0.950 55.719 54.840 -0.118 0.000 0.866 507 L CB -0.967 40.959 42.059 -0.222 0.000 0.980 507 L HN 0.323 nan 8.230 nan 0.000 0.448 508 K N -0.154 120.268 120.400 0.036 0.000 2.148 508 K HA -0.109 4.210 4.320 -0.002 0.000 0.204 508 K C 1.011 177.654 176.600 0.071 0.000 1.050 508 K CA 1.185 57.507 56.287 0.058 0.000 0.942 508 K CB 0.134 32.661 32.500 0.045 0.000 0.724 508 K HN 0.242 nan 8.250 nan 0.000 0.446 509 D N 0.443 120.890 120.400 0.078 0.000 2.342 509 D HA 0.094 4.733 4.640 -0.002 0.000 0.221 509 D C -0.401 175.996 176.300 0.161 0.000 1.101 509 D CA 0.121 54.182 54.000 0.101 0.000 0.837 509 D CB 0.352 41.207 40.800 0.093 0.000 0.938 509 D HN 0.249 nan 8.370 nan 0.000 0.508 510 A N 1.022 123.959 122.820 0.196 0.000 2.462 510 A HA 0.369 4.688 4.320 -0.002 0.000 0.243 510 A C 0.583 178.309 177.584 0.236 0.000 1.076 510 A CA -0.302 51.943 52.037 0.347 0.000 0.773 510 A CB 0.469 19.715 19.000 0.411 0.000 1.010 510 A HN 0.076 nan 8.150 nan 0.000 0.493 511 V N -0.431 119.631 119.914 0.246 0.000 2.919 511 V HA 0.862 4.981 4.120 -0.002 0.000 0.316 511 V C 0.512 176.671 176.094 0.108 0.000 1.077 511 V CA -0.684 61.694 62.300 0.130 0.000 0.977 511 V CB 1.035 32.917 31.823 0.098 0.000 1.039 511 V HN 1.567 nan 8.190 nan 0.000 0.441 512 A N 1.832 124.684 122.820 0.054 0.000 2.477 512 A HA 0.571 4.890 4.320 -0.002 0.000 0.246 512 A C 1.397 179.009 177.584 0.047 0.000 1.078 512 A CA 0.509 52.568 52.037 0.036 0.000 0.770 512 A CB -0.544 18.462 19.000 0.010 0.000 1.011 512 A HN 2.855 nan 8.150 nan 0.000 0.494 513 G N 0.873 109.703 108.800 0.050 0.000 2.182 513 G HA2 -0.162 3.797 3.960 -0.002 0.000 0.248 513 G HA3 -0.162 3.797 3.960 -0.002 0.000 0.248 513 G C -0.036 174.883 174.900 0.031 0.000 1.042 513 G CA 0.482 45.616 45.100 0.056 0.000 0.775 513 G HN 0.835 nan 8.290 nan 0.000 0.501 514 K N 0.165 120.572 120.400 0.011 0.000 2.613 514 K HA 0.712 5.031 4.320 -0.002 0.000 0.248 514 K C -0.121 176.368 176.600 -0.185 0.000 0.959 514 K CA 0.060 56.281 56.287 -0.110 0.000 0.855 514 K CB 1.325 33.754 32.500 -0.118 0.000 1.143 514 K HN 0.780 nan 8.250 nan 0.000 0.437 515 A N 4.919 127.620 122.820 -0.199 0.000 2.301 515 A HA 0.693 5.012 4.320 -0.002 0.000 0.298 515 A C -0.906 176.530 177.584 -0.247 0.000 1.185 515 A CA -0.327 51.645 52.037 -0.109 0.000 0.830 515 A CB -0.011 18.963 19.000 -0.043 0.000 1.112 515 A HN 0.535 nan 8.150 nan 0.000 0.508 516 F N 0.241 120.280 119.950 0.148 0.000 2.507 516 F HA 0.441 4.967 4.527 -0.002 0.000 0.327 516 F C 0.711 176.575 175.800 0.107 0.000 1.068 516 F CA -0.347 57.736 58.000 0.139 0.000 0.965 516 F CB 1.929 41.039 39.000 0.184 0.000 1.192 516 F HN 0.602 nan 8.300 nan 0.000 0.476 517 Q N 2.643 122.607 119.800 0.274 0.000 2.390 517 Q HA 0.294 4.633 4.340 -0.002 0.000 0.249 517 Q C -1.472 174.605 176.000 0.129 0.000 0.996 517 Q CA -0.610 55.205 55.803 0.019 0.000 0.899 517 Q CB 0.430 29.090 28.738 -0.130 0.000 1.216 517 Q HN 0.405 nan 8.270 nan 0.000 0.465 518 F N 3.413 123.317 119.950 -0.078 0.000 2.462 518 F HA 0.142 4.668 4.527 -0.002 0.000 0.360 518 F C 0.765 176.397 175.800 -0.279 0.000 1.134 518 F CA -0.603 57.239 58.000 -0.263 0.000 1.148 518 F CB 0.061 38.748 39.000 -0.522 0.000 1.147 518 F HN 0.464 nan 8.300 nan 0.000 0.550 519 E N 4.376 124.509 120.200 -0.112 0.000 2.652 519 E HA -0.082 4.267 4.350 -0.002 0.000 0.255 519 E C 0.584 177.015 176.600 -0.280 0.000 0.952 519 E CA 0.391 56.687 56.400 -0.174 0.000 0.947 519 E CB 0.295 29.912 29.700 -0.138 0.000 0.912 519 E HN 0.531 nan 8.360 nan 0.000 0.489 520 R N 1.710 122.101 120.500 -0.181 0.000 3.989 520 R HA -0.214 4.125 4.340 -0.002 0.000 0.377 520 R C 0.384 176.609 176.300 -0.125 0.000 1.158 520 R CA 0.936 56.953 56.100 -0.137 0.000 1.035 520 R CB -0.994 29.255 30.300 -0.086 0.000 1.557 520 R HN 0.530 nan 8.270 nan 0.000 0.551 521 E N -0.653 119.486 120.200 -0.102 0.000 2.629 521 E HA 0.305 4.654 4.350 -0.002 0.000 0.197 521 E C 1.110 177.765 176.600 0.092 0.000 0.955 521 E CA 1.368 57.799 56.400 0.052 0.000 1.191 521 E CB 0.800 30.586 29.700 0.143 0.000 1.175 521 E HN 0.418 nan 8.360 nan 0.000 0.501 522 G N -0.262 108.580 108.800 0.070 0.000 2.367 522 G HA2 0.198 4.157 3.960 -0.002 0.000 0.272 522 G HA3 0.198 4.157 3.960 -0.002 0.000 0.272 522 G C -1.874 172.804 174.900 -0.370 0.000 1.271 522 G CA -0.911 44.063 45.100 -0.210 0.000 0.893 522 G HN 0.002 nan 8.290 nan 0.000 0.485 523 Y N -0.120 120.064 120.300 -0.193 0.000 2.331 523 Y HA 0.778 5.327 4.550 -0.002 0.000 0.338 523 Y C -0.286 175.389 175.900 -0.375 0.000 0.992 523 Y CA -0.443 57.564 58.100 -0.156 0.000 1.121 523 Y CB 1.627 39.990 38.460 -0.163 0.000 1.184 523 Y HN 0.398 nan 8.280 nan 0.000 0.469 524 F N 1.757 121.578 119.950 -0.216 0.000 2.603 524 F HA 0.739 5.264 4.527 -0.002 0.000 0.317 524 F C -0.318 175.524 175.800 0.070 0.000 1.066 524 F CA -1.397 56.470 58.000 -0.222 0.000 0.941 524 F CB 1.729 40.237 39.000 -0.820 0.000 1.291 524 F HN 0.594 nan 8.300 nan 0.000 0.472 525 C N 0.918 120.462 119.300 0.407 0.000 3.086 525 C HA 0.764 5.223 4.460 -0.002 0.000 0.311 525 C C -1.027 174.116 174.990 0.255 0.000 1.260 525 C CA -1.217 58.026 59.018 0.377 0.000 1.426 525 C CB 0.866 28.712 27.740 0.175 0.000 1.826 525 C HN 0.875 nan 8.230 nan 0.000 0.474 526 L N 3.213 124.474 121.223 0.064 0.000 2.500 526 L HA 0.240 4.579 4.340 -0.002 0.000 0.272 526 L C 0.598 177.419 176.870 -0.083 0.000 1.149 526 L CA 0.954 55.639 54.840 -0.258 0.000 0.897 526 L CB -0.131 41.781 42.059 -0.245 0.000 1.178 526 L HN 0.861 nan 8.230 nan 0.000 0.473 527 D N 3.109 123.471 120.400 -0.062 0.000 2.371 527 D HA -0.076 4.563 4.640 -0.002 0.000 0.256 527 D C -0.522 175.754 176.300 -0.041 0.000 1.193 527 D CA 0.103 54.102 54.000 -0.002 0.000 0.881 527 D CB 0.944 41.793 40.800 0.082 0.000 1.143 527 D HN 0.514 nan 8.370 nan 0.000 0.473 528 S N 3.771 119.442 115.700 -0.048 0.000 3.489 528 S HA 0.241 4.710 4.470 -0.002 0.000 0.227 528 S C 0.595 175.141 174.600 -0.091 0.000 1.360 528 S CA -0.420 57.746 58.200 -0.055 0.000 0.934 528 S CB -0.096 63.082 63.200 -0.037 0.000 1.410 528 S HN 0.626 nan 8.310 nan 0.000 0.483 529 R N 0.827 121.248 120.500 -0.132 0.000 2.303 529 R HA 0.172 4.511 4.340 -0.002 0.000 0.058 529 R C 0.653 176.802 176.300 -0.251 0.000 0.827 529 R CA 0.344 56.296 56.100 -0.246 0.000 2.966 529 R CB -0.190 29.849 30.300 -0.436 0.000 1.253 529 R HN 0.477 nan 8.270 nan 0.000 0.527 530 H N -0.450 118.621 119.070 0.001 0.000 2.885 530 H HA 0.410 4.965 4.556 -0.002 0.000 0.260 530 H C -0.026 175.294 175.328 -0.014 0.000 0.985 530 H CA 0.773 56.821 56.048 -0.000 0.000 1.210 530 H CB 0.732 30.500 29.762 0.011 0.000 1.466 530 H HN 0.217 nan 8.280 nan 0.000 0.493 531 S N 1.429 117.169 115.700 0.067 0.000 2.562 531 S HA 0.386 4.855 4.470 -0.002 0.000 0.275 531 S C 0.855 175.459 174.600 0.006 0.000 1.281 531 S CA -0.259 57.948 58.200 0.012 0.000 1.045 531 S CB 2.239 65.401 63.200 -0.063 0.000 0.962 531 S HN 0.364 nan 8.310 nan 0.000 0.503 532 T N -0.936 113.622 114.554 0.007 0.000 2.708 532 T HA 0.778 5.127 4.350 -0.002 0.000 0.256 532 T C 1.044 175.748 174.700 0.006 0.000 0.946 532 T CA -0.315 61.790 62.100 0.009 0.000 1.039 532 T CB 0.555 69.433 68.868 0.016 0.000 1.557 532 T HN 0.834 nan 8.240 nan 0.000 0.576 533 A N -0.381 122.447 122.820 0.013 0.000 2.063 533 A HA 0.270 4.589 4.320 -0.002 0.000 0.211 533 A C 1.948 179.545 177.584 0.021 0.000 1.177 533 A CA 0.299 52.347 52.037 0.019 0.000 0.759 533 A CB -0.617 18.395 19.000 0.021 0.000 0.857 533 A HN 0.853 nan 8.150 nan 0.000 0.468 534 E N -0.895 119.316 120.200 0.018 0.000 2.347 534 E HA -0.032 4.317 4.350 -0.002 0.000 0.196 534 E C -0.061 176.548 176.600 0.016 0.000 1.008 534 E CA 0.791 57.202 56.400 0.018 0.000 0.852 534 E CB 0.055 29.764 29.700 0.015 0.000 0.783 534 E HN 0.288 nan 8.360 nan 0.000 0.505 535 K N 0.493 120.901 120.400 0.014 0.000 2.636 535 K HA 0.201 4.520 4.320 -0.002 0.000 0.286 535 K C -3.082 173.524 176.600 0.011 0.000 1.100 535 K CA -1.477 54.816 56.287 0.011 0.000 0.991 535 K CB 1.342 33.842 32.500 -0.001 0.000 1.323 535 K HN -0.247 nan 8.250 nan 0.000 0.478 536 P HA 0.258 nan 4.420 nan 0.000 0.277 536 P C -1.068 176.229 177.300 -0.006 0.000 1.240 536 P CA -0.681 62.406 63.100 -0.022 0.000 0.798 536 P CB 1.013 32.720 31.700 0.013 0.000 0.979 537 V N 3.034 122.893 119.914 -0.092 0.000 2.483 537 V HA 0.404 4.523 4.120 -0.002 0.000 0.297 537 V C -0.767 175.287 176.094 -0.067 0.000 1.027 537 V CA -0.279 62.029 62.300 0.013 0.000 0.855 537 V CB 1.001 32.867 31.823 0.072 0.000 0.995 537 V HN 0.368 nan 8.190 nan 0.000 0.424 538 F N 3.554 123.605 119.950 0.168 0.000 2.427 538 F HA 0.503 5.029 4.527 -0.002 0.000 0.348 538 F C 0.647 176.622 175.800 0.293 0.000 1.125 538 F CA -0.646 57.497 58.000 0.238 0.000 0.989 538 F CB 1.456 40.625 39.000 0.282 0.000 1.165 538 F HN 0.418 nan 8.300 nan 0.000 0.442 539 N N 2.806 121.756 118.700 0.416 0.000 2.530 539 N HA 0.155 4.894 4.740 -0.002 0.000 0.273 539 N C -0.170 175.512 175.510 0.286 0.000 1.173 539 N CA -0.332 52.970 53.050 0.421 0.000 0.967 539 N CB 1.098 39.802 38.487 0.363 0.000 1.109 539 N HN 0.557 nan 8.380 nan 0.000 0.453 540 R N 1.278 121.857 120.500 0.132 0.000 2.196 540 R HA 0.147 4.486 4.340 -0.002 0.000 0.340 540 R C 0.532 176.737 176.300 -0.158 0.000 1.043 540 R CA -0.172 55.656 56.100 -0.454 0.000 0.883 540 R CB 0.315 30.258 30.300 -0.595 0.000 1.078 540 R HN 0.526 nan 8.270 nan 0.000 0.462 541 T N 2.006 116.429 114.554 -0.218 0.000 2.614 541 T HA -0.083 4.266 4.350 -0.002 0.000 0.263 541 T C 0.422 175.045 174.700 -0.129 0.000 1.055 541 T CA 1.011 63.032 62.100 -0.133 0.000 1.162 541 T CB 0.038 68.797 68.868 -0.181 0.000 0.863 541 T HN 0.376 nan 8.240 nan 0.000 0.414 542 V N 0.081 119.900 119.914 -0.159 0.000 2.969 542 V HA 0.692 4.811 4.120 -0.002 0.000 0.304 542 V C -0.313 175.732 176.094 -0.081 0.000 1.192 542 V CA -0.712 61.536 62.300 -0.086 0.000 0.962 542 V CB 1.713 33.487 31.823 -0.082 0.000 1.045 542 V HN 0.523 nan 8.190 nan 0.000 0.428 543 G N 3.915 112.673 108.800 -0.070 0.000 2.572 543 G HA2 0.500 4.459 3.960 -0.002 0.000 0.261 543 G HA3 0.500 4.459 3.960 -0.002 0.000 0.261 543 G C -0.571 174.326 174.900 -0.005 0.000 1.197 543 G CA -0.467 44.594 45.100 -0.064 0.000 0.870 543 G HN 0.688 nan 8.290 nan 0.000 0.548 544 L N -0.084 121.120 121.223 -0.031 0.000 2.472 544 L HA 0.258 4.597 4.340 -0.002 0.000 0.260 544 L C 1.496 178.378 176.870 0.020 0.000 1.209 544 L CA -0.255 54.580 54.840 -0.008 0.000 0.817 544 L CB 0.700 42.722 42.059 -0.063 0.000 1.106 544 L HN 0.559 nan 8.230 nan 0.000 0.479 545 R N 2.161 122.682 120.500 0.036 0.000 2.413 545 R HA -0.001 4.338 4.340 -0.002 0.000 0.333 545 R C -0.865 175.449 176.300 0.024 0.000 1.074 545 R CA -0.196 55.924 56.100 0.034 0.000 0.982 545 R CB -0.355 29.970 30.300 0.041 0.000 0.981 545 R HN 0.495 nan 8.270 nan 0.000 0.452 546 D N 3.056 123.468 120.400 0.021 0.000 2.249 546 D HA 0.177 4.816 4.640 -0.002 0.000 0.246 546 D C -0.405 175.909 176.300 0.023 0.000 1.114 546 D CA 0.205 54.217 54.000 0.020 0.000 0.854 546 D CB 1.473 42.286 40.800 0.021 0.000 1.132 546 D HN 0.651 nan 8.370 nan 0.000 0.461 547 T N 0.000 114.567 114.554 0.022 0.000 3.816 547 T HA 0.000 4.349 4.350 -0.002 0.000 0.228 547 T CA 0.000 62.114 62.100 0.024 0.000 1.349 547 T CB 0.000 68.882 68.868 0.023 0.000 0.612 547 T HN 0.000 nan 8.240 nan 0.000 0.658