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 2qpu_1_B DATA FIRST_RESID 1 DATA SEQUENCE HQVLFQGFNW ESWKQSGGWY NMMMGKVDDI AAAGVTHVWL PPPSHSVSNE DATA SEQUENCE GYMPGRLYDI DASKYGNAAE LKSLIGALHG KGVQAIADIV INHRCADYKD DATA SEQUENCE SRGIYCIFEG GTSDGRLDWG PHMICRDDTK YSDGTANLDT GADFAAAPDI DATA SEQUENCE DHLNDRVQRE LKEWLLWLKS DLGFDAWRLD FARGYSPEMA KVYIDGTSPS DATA SEQUENCE LAVAEVWDNM ATGGDGKPNY DQDAHRQNLV NWVDKVGGAA SAGMVFDFTT DATA SEQUENCE KGILNAAVEG ELWRLIDPQG KAPGVMGWWP AKAVTFVDNH DTGSTQAMWP DATA SEQUENCE FPSDKVMQGY AYILTHPGIP CIFYDHFFNW GFKDQIAALV AIRKRNGITA DATA SEQUENCE TSALKILMHE GDAYVAEIDG KVVVKIGPRY DVGAVIPAGF VTSAHGNDYA DATA SEQUENCE VWEK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 H HA 0.000 nan 4.556 nan 0.000 0.296 1 H C 0.000 175.368 175.328 0.066 0.000 0.993 1 H CA 0.000 56.075 56.048 0.045 0.000 1.023 1 H CB 0.000 29.785 29.762 0.038 0.000 1.292 2 Q N 4.666 124.201 119.800 -0.442 0.000 2.280 2 Q HA 0.628 4.968 4.340 -0.000 0.000 0.259 2 Q C -2.124 173.703 176.000 -0.289 0.000 0.964 2 Q CA -0.762 54.871 55.803 -0.283 0.000 0.844 2 Q CB 2.021 30.696 28.738 -0.105 0.000 1.334 2 Q HN 0.444 nan 8.270 nan 0.000 0.423 3 V N 4.496 124.296 119.914 -0.190 0.000 2.612 3 V HA 0.437 4.557 4.120 -0.000 0.000 0.301 3 V C -0.832 175.320 176.094 0.097 0.000 1.059 3 V CA -0.700 61.570 62.300 -0.050 0.000 0.886 3 V CB 1.634 33.434 31.823 -0.038 0.000 1.007 3 V HN 0.726 nan 8.190 nan 0.000 0.426 4 L N 4.116 125.415 121.223 0.126 0.000 2.416 4 L HA 0.655 4.995 4.340 -0.000 0.000 0.262 4 L C -0.673 176.394 176.870 0.329 0.000 1.093 4 L CA -0.048 54.930 54.840 0.230 0.000 0.801 4 L CB 1.223 43.392 42.059 0.183 0.000 1.191 4 L HN 0.628 nan 8.230 nan 0.000 0.459 5 F N 1.077 121.162 119.950 0.224 0.000 2.607 5 F HA 0.331 4.858 4.527 -0.000 0.000 0.322 5 F C -0.408 175.586 175.800 0.323 0.000 1.176 5 F CA -0.626 57.492 58.000 0.197 0.000 0.977 5 F CB 1.293 40.337 39.000 0.074 0.000 1.242 5 F HN 0.495 nan 8.300 nan 0.000 0.465 6 Q N 4.309 124.124 119.800 0.024 0.000 2.361 6 Q HA 0.382 4.722 4.340 -0.000 0.000 0.250 6 Q C 0.422 176.431 176.000 0.016 0.000 1.023 6 Q CA -0.091 55.721 55.803 0.014 0.000 0.915 6 Q CB 1.085 29.652 28.738 -0.286 0.000 1.238 6 Q HN 0.976 nan 8.270 nan 0.000 0.451 7 G N 5.055 114.138 108.800 0.472 0.000 3.530 7 G HA2 0.351 4.311 3.960 -0.000 0.000 0.269 7 G HA3 0.351 4.311 3.960 -0.000 0.000 0.269 7 G C -0.698 174.646 174.900 0.741 0.000 1.314 7 G CA -0.090 45.483 45.100 0.789 0.000 1.441 7 G HN 0.631 nan 8.290 nan 0.000 0.595 8 F N -1.638 118.335 119.950 0.037 0.000 2.842 8 F HA 0.562 5.089 4.527 -0.000 0.000 0.319 8 F C -1.318 174.296 175.800 -0.309 0.000 1.159 8 F CA -1.922 55.842 58.000 -0.394 0.000 0.902 8 F CB 0.577 39.200 39.000 -0.628 0.000 1.311 8 F HN 0.106 nan 8.300 nan 0.000 0.453 9 N N -0.802 117.704 118.700 -0.323 0.000 3.229 9 N HA 0.235 4.975 4.740 -0.000 0.000 0.315 9 N C -0.471 175.196 175.510 0.262 0.000 1.520 9 N CA -0.911 52.149 53.050 0.018 0.000 0.769 9 N CB 0.752 39.285 38.487 0.077 0.000 1.766 9 N HN 0.953 nan 8.380 nan 0.000 0.618 10 W N -0.196 121.213 121.300 0.182 0.000 2.595 10 W HA 0.027 4.687 4.660 -0.000 0.000 0.257 10 W C -0.016 176.643 176.519 0.233 0.000 1.267 10 W CA 0.788 58.290 57.345 0.262 0.000 1.300 10 W CB 0.380 29.988 29.460 0.247 0.000 1.120 10 W HN 0.548 nan 8.180 nan 0.000 0.618 11 E N -0.634 119.634 120.200 0.113 0.000 2.476 11 E HA -0.014 4.336 4.350 -0.000 0.000 0.199 11 E C 1.938 178.332 176.600 -0.343 0.000 1.021 11 E CA 0.222 56.543 56.400 -0.132 0.000 0.907 11 E CB 0.055 29.722 29.700 -0.054 0.000 0.974 11 E HN 0.049 nan 8.360 nan 0.000 0.489 12 S N 1.566 117.047 115.700 -0.365 0.000 2.387 12 S HA -0.158 4.312 4.470 -0.000 0.000 0.230 12 S C 1.586 176.029 174.600 -0.262 0.000 1.035 12 S CA 1.362 59.170 58.200 -0.653 0.000 1.014 12 S CB -0.452 61.895 63.200 -1.422 0.000 0.836 12 S HN 0.594 nan 8.310 nan 0.000 0.466 13 W N 2.086 123.187 121.300 -0.331 0.000 2.421 13 W HA -0.006 4.654 4.660 -0.000 0.000 0.270 13 W C 0.912 177.268 176.519 -0.272 0.000 1.233 13 W CA 0.716 57.743 57.345 -0.531 0.000 1.226 13 W CB -0.646 28.366 29.460 -0.746 0.000 1.121 13 W HN 0.284 nan 8.180 nan 0.000 0.579 14 K N 0.765 120.561 120.400 -1.006 0.000 2.418 14 K HA -0.078 4.242 4.320 -0.000 0.000 0.195 14 K C 0.851 177.238 176.600 -0.354 0.000 1.035 14 K CA 0.115 55.857 56.287 -0.909 0.000 1.003 14 K CB -0.204 31.654 32.500 -1.069 0.000 0.793 14 K HN -0.097 nan 8.250 nan 0.000 0.494 15 Q N 2.180 121.890 119.800 -0.149 0.000 2.320 15 Q HA -0.070 4.270 4.340 -0.000 0.000 0.311 15 Q C -0.350 175.639 176.000 -0.017 0.000 1.083 15 Q CA 0.348 56.164 55.803 0.023 0.000 1.001 15 Q CB 0.457 29.365 28.738 0.285 0.000 1.074 15 Q HN 0.044 nan 8.270 nan 0.000 0.379 16 S N 3.486 119.166 115.700 -0.032 0.000 2.544 16 S HA 0.360 4.830 4.470 -0.000 0.000 0.290 16 S C 1.070 175.659 174.600 -0.018 0.000 1.276 16 S CA 0.832 59.013 58.200 -0.032 0.000 1.075 16 S CB -0.325 62.855 63.200 -0.033 0.000 0.849 16 S HN 1.224 nan 8.310 nan 0.000 0.494 17 G N 2.932 111.725 108.800 -0.012 0.000 2.179 17 G HA2 0.063 4.023 3.960 -0.000 0.000 0.260 17 G HA3 0.063 4.023 3.960 -0.000 0.000 0.260 17 G C 1.020 175.925 174.900 0.008 0.000 0.977 17 G CA 0.191 45.288 45.100 -0.005 0.000 0.641 17 G HN 2.213 nan 8.290 nan 0.000 0.533 18 G N -2.058 106.752 108.800 0.018 0.000 2.907 18 G HA2 0.002 3.962 3.960 -0.000 0.000 0.686 18 G HA3 0.002 3.962 3.960 -0.000 0.000 0.686 18 G C 0.516 175.455 174.900 0.065 0.000 1.115 18 G CA 0.480 45.603 45.100 0.039 0.000 0.760 18 G HN 1.156 nan 8.290 nan 0.000 0.620 19 W N 2.541 123.774 121.300 -0.111 0.000 2.358 19 W HA -0.151 4.509 4.660 -0.000 0.000 0.303 19 W C 1.861 178.375 176.519 -0.010 0.000 1.208 19 W CA 2.222 59.517 57.345 -0.083 0.000 1.274 19 W CB -0.132 29.303 29.460 -0.041 0.000 1.138 19 W HN 0.712 nan 8.180 nan 0.000 0.515 20 Y N 1.165 121.546 120.300 0.135 0.000 2.181 20 Y HA -0.244 4.306 4.550 -0.000 0.000 0.288 20 Y C 2.436 178.274 175.900 -0.103 0.000 1.146 20 Y CA 1.502 59.601 58.100 -0.002 0.000 1.164 20 Y CB -1.613 36.887 38.460 0.066 0.000 0.982 20 Y HN -0.002 nan 8.280 nan 0.000 0.515 21 N N -0.251 118.498 118.700 0.082 0.000 2.166 21 N HA -0.190 4.550 4.740 -0.000 0.000 0.186 21 N C 2.003 177.454 175.510 -0.099 0.000 1.019 21 N CA 1.359 54.408 53.050 -0.001 0.000 0.856 21 N CB -0.509 37.982 38.487 0.008 0.000 0.993 21 N HN 0.402 nan 8.380 nan 0.000 0.426 22 M N -0.115 119.369 119.600 -0.192 0.000 2.132 22 M HA -0.052 4.428 4.480 -0.000 0.000 0.263 22 M C 1.500 177.583 176.300 -0.362 0.000 1.065 22 M CA 1.142 56.263 55.300 -0.298 0.000 1.122 22 M CB 0.024 32.365 32.600 -0.433 0.000 1.365 22 M HN -0.022 nan 8.290 nan 0.000 0.411 23 M N 0.227 119.562 119.600 -0.442 0.000 2.279 23 M HA -0.188 4.292 4.480 -0.000 0.000 0.264 23 M C 1.966 178.167 176.300 -0.165 0.000 1.062 23 M CA 1.227 56.331 55.300 -0.328 0.000 1.099 23 M CB -1.013 31.440 32.600 -0.244 0.000 1.394 23 M HN 0.372 nan 8.290 nan 0.000 0.426 24 M N -0.615 118.908 119.600 -0.128 0.000 2.144 24 M HA -0.114 4.366 4.480 -0.000 0.000 0.260 24 M C 2.010 178.257 176.300 -0.089 0.000 1.067 24 M CA 1.520 56.768 55.300 -0.087 0.000 1.095 24 M CB -1.922 30.638 32.600 -0.068 0.000 1.365 24 M HN 0.333 nan 8.290 nan 0.000 0.406 25 G N -0.731 107.998 108.800 -0.117 0.000 3.026 25 G HA2 -0.059 3.901 3.960 -0.000 0.000 0.208 25 G HA3 -0.059 3.901 3.960 -0.000 0.000 0.208 25 G C 1.540 176.369 174.900 -0.119 0.000 1.169 25 G CA 0.169 45.205 45.100 -0.107 0.000 0.788 25 G HN 0.281 nan 8.290 nan 0.000 0.533 26 K N -0.097 120.225 120.400 -0.131 0.000 2.412 26 K HA 0.212 4.532 4.320 -0.000 0.000 0.202 26 K C 2.179 178.799 176.600 0.034 0.000 1.102 26 K CA -0.038 56.188 56.287 -0.101 0.000 1.027 26 K CB 0.447 32.789 32.500 -0.263 0.000 0.931 26 K HN 0.183 nan 8.250 nan 0.000 0.557 27 V N 2.369 122.272 119.914 -0.018 0.000 2.287 27 V HA -0.277 3.843 4.120 -0.000 0.000 0.248 27 V C 1.682 177.773 176.094 -0.004 0.000 1.053 27 V CA 2.094 64.381 62.300 -0.022 0.000 1.027 27 V CB -0.316 31.483 31.823 -0.039 0.000 0.646 27 V HN 0.247 nan 8.190 nan 0.000 0.447 28 D N 0.003 120.411 120.400 0.013 0.000 2.097 28 D HA -0.161 4.479 4.640 -0.000 0.000 0.195 28 D C 1.917 178.250 176.300 0.055 0.000 0.989 28 D CA 1.565 55.578 54.000 0.023 0.000 0.827 28 D CB -0.385 40.428 40.800 0.021 0.000 0.966 28 D HN 0.432 nan 8.370 nan 0.000 0.456 29 D N 0.335 120.809 120.400 0.123 0.000 2.144 29 D HA -0.056 4.584 4.640 -0.000 0.000 0.200 29 D C 2.312 178.703 176.300 0.152 0.000 0.978 29 D CA 0.275 54.395 54.000 0.199 0.000 0.833 29 D CB -0.207 40.814 40.800 0.369 0.000 0.961 29 D HN 0.283 nan 8.370 nan 0.000 0.470 30 I N 0.990 121.584 120.570 0.040 0.000 2.202 30 I HA -0.241 3.929 4.170 -0.000 0.000 0.242 30 I C 2.437 178.441 176.117 -0.189 0.000 1.091 30 I CA 1.051 62.184 61.300 -0.280 0.000 1.368 30 I CB -0.208 37.539 38.000 -0.420 0.000 1.058 30 I HN -0.065 nan 8.210 nan 0.000 0.410 31 A N 0.698 123.467 122.820 -0.086 0.000 1.898 31 A HA -0.103 4.217 4.320 -0.000 0.000 0.216 31 A C 2.497 180.071 177.584 -0.016 0.000 1.181 31 A CA 1.675 53.685 52.037 -0.046 0.000 0.620 31 A CB -0.802 18.182 19.000 -0.027 0.000 0.819 31 A HN 0.424 nan 8.150 nan 0.000 0.442 32 A N -0.401 122.421 122.820 0.004 0.000 2.067 32 A HA 0.255 4.575 4.320 -0.000 0.000 0.219 32 A C 2.236 179.840 177.584 0.033 0.000 1.158 32 A CA 1.633 53.683 52.037 0.022 0.000 0.661 32 A CB -0.664 18.358 19.000 0.036 0.000 0.801 32 A HN 1.020 nan 8.150 nan 0.000 0.452 33 A N -1.835 121.004 122.820 0.033 0.000 2.167 33 A HA 0.398 4.718 4.320 -0.000 0.000 0.214 33 A C 1.751 179.355 177.584 0.033 0.000 1.151 33 A CA 1.277 53.344 52.037 0.050 0.000 0.735 33 A CB -0.700 18.314 19.000 0.024 0.000 0.802 33 A HN 1.813 nan 8.150 nan 0.000 0.467 34 G N -1.766 107.055 108.800 0.035 0.000 2.144 34 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.218 34 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.218 34 G C 0.104 175.121 174.900 0.194 0.000 0.988 34 G CA -0.028 45.147 45.100 0.125 0.000 0.659 34 G HN 0.672 nan 8.290 nan 0.000 0.522 35 V N 1.457 121.398 119.914 0.045 0.000 2.637 35 V HA 0.467 4.587 4.120 -0.000 0.000 0.296 35 V C 1.803 177.929 176.094 0.054 0.000 1.046 35 V CA 1.242 63.563 62.300 0.034 0.000 1.066 35 V CB 1.369 33.146 31.823 -0.076 0.000 0.968 35 V HN 0.730 nan 8.190 nan 0.000 0.483 36 T N 0.469 115.075 114.554 0.086 0.000 2.990 36 T HA 0.213 4.563 4.350 -0.000 0.000 0.249 36 T C 0.306 174.930 174.700 -0.127 0.000 1.039 36 T CA 0.192 62.307 62.100 0.026 0.000 1.036 36 T CB 0.070 68.994 68.868 0.092 0.000 0.994 36 T HN 0.681 nan 8.240 nan 0.000 0.489 37 H N -0.216 118.897 119.070 0.072 0.000 2.865 37 H HA 0.715 5.271 4.556 -0.000 0.000 0.362 37 H C -1.478 173.979 175.328 0.215 0.000 1.114 37 H CA -0.752 55.368 56.048 0.120 0.000 1.208 37 H CB 2.134 31.953 29.762 0.096 0.000 1.727 37 H HN 0.027 nan 8.280 nan 0.000 0.534 38 V N 2.664 122.789 119.914 0.353 0.000 2.409 38 V HA 0.102 4.222 4.120 -0.000 0.000 0.291 38 V C -0.900 175.522 176.094 0.545 0.000 1.020 38 V CA -0.872 61.692 62.300 0.441 0.000 0.848 38 V CB 1.253 33.268 31.823 0.320 0.000 0.990 38 V HN 0.759 nan 8.190 nan 0.000 0.430 39 W N 7.652 129.199 121.300 0.412 0.000 2.358 39 W HA 0.617 5.277 4.660 -0.000 0.000 0.307 39 W C -1.176 175.655 176.519 0.520 0.000 1.203 39 W CA -1.220 56.375 57.345 0.416 0.000 1.279 39 W CB 0.354 30.052 29.460 0.397 0.000 1.264 39 W HN 0.407 nan 8.180 nan 0.000 0.474 40 L N 9.561 131.178 121.223 0.657 0.000 2.334 40 L HA 0.501 4.841 4.340 -0.000 0.000 0.272 40 L C -1.387 175.405 176.870 -0.129 0.000 1.020 40 L CA -2.291 52.723 54.840 0.290 0.000 0.812 40 L CB 1.837 44.129 42.059 0.387 0.000 1.264 40 L HN 0.285 nan 8.230 nan 0.000 0.439 41 P HA 0.140 nan 4.420 nan 0.000 0.273 41 P C -2.676 174.312 177.300 -0.521 0.000 1.250 41 P CA -1.559 60.748 63.100 -1.322 0.000 0.793 41 P CB -0.449 29.934 31.700 -2.194 0.000 1.011 42 P HA 0.035 nan 4.420 nan 0.000 0.260 42 P C -1.592 175.686 177.300 -0.037 0.000 1.185 42 P CA -0.576 62.394 63.100 -0.217 0.000 0.763 42 P CB -0.503 30.963 31.700 -0.389 0.000 0.776 43 P HA 0.015 nan 4.420 nan 0.000 0.251 43 P C -0.214 177.247 177.300 0.269 0.000 1.223 43 P CA 0.554 63.813 63.100 0.264 0.000 0.796 43 P CB 0.622 32.519 31.700 0.329 0.000 1.068 44 S N -0.122 115.699 115.700 0.201 0.000 2.693 44 S HA 0.162 4.632 4.470 -0.000 0.000 0.276 44 S C 0.262 174.914 174.600 0.087 0.000 1.192 44 S CA -0.546 57.760 58.200 0.177 0.000 0.994 44 S CB 0.134 63.410 63.200 0.126 0.000 1.012 44 S HN 0.288 nan 8.310 nan 0.000 0.550 45 H N 0.938 120.017 119.070 0.016 0.000 3.064 45 H HA 0.158 4.714 4.556 -0.000 0.000 0.329 45 H C -0.481 174.800 175.328 -0.078 0.000 1.020 45 H CA 0.799 56.827 56.048 -0.034 0.000 1.402 45 H CB 0.299 30.034 29.762 -0.045 0.000 1.379 45 H HN 0.438 nan 8.280 nan 0.000 0.594 46 S N 3.340 118.586 115.700 -0.757 0.000 2.540 46 S HA 0.258 4.728 4.470 -0.000 0.000 0.275 46 S C 0.717 174.949 174.600 -0.614 0.000 1.123 46 S CA -0.619 57.205 58.200 -0.627 0.000 0.907 46 S CB 1.590 64.590 63.200 -0.333 0.000 1.081 46 S HN 0.472 nan 8.310 nan 0.000 0.476 47 V N 3.061 122.716 119.914 -0.432 0.000 2.667 47 V HA 0.033 4.153 4.120 -0.000 0.000 0.252 47 V C 1.198 177.153 176.094 -0.233 0.000 1.065 47 V CA 1.596 63.732 62.300 -0.273 0.000 1.083 47 V CB -0.611 31.103 31.823 -0.181 0.000 0.692 47 V HN 0.870 nan 8.190 nan 0.000 0.468 48 S N -0.197 115.370 115.700 -0.221 0.000 2.541 48 S HA 0.298 4.768 4.470 -0.000 0.000 0.283 48 S C 0.796 175.150 174.600 -0.410 0.000 1.196 48 S CA -0.678 57.378 58.200 -0.241 0.000 1.062 48 S CB 1.127 64.274 63.200 -0.088 0.000 1.009 48 S HN 0.302 nan 8.310 nan 0.000 0.502 49 N N 2.094 120.401 118.700 -0.656 0.000 2.149 49 N HA -0.141 4.599 4.740 -0.000 0.000 0.188 49 N C 1.027 175.950 175.510 -0.979 0.000 1.019 49 N CA 1.544 53.961 53.050 -1.056 0.000 0.857 49 N CB -0.378 36.830 38.487 -2.132 0.000 0.997 49 N HN 0.751 nan 8.380 nan 0.000 0.426 50 E N -0.425 119.299 120.200 -0.793 0.000 2.418 50 E HA 0.092 4.442 4.350 -0.000 0.000 0.197 50 E C 1.312 177.802 176.600 -0.182 0.000 1.026 50 E CA 0.654 56.774 56.400 -0.467 0.000 0.862 50 E CB -0.259 29.090 29.700 -0.585 0.000 0.799 50 E HN 0.462 nan 8.360 nan 0.000 0.518 51 G N -0.362 108.286 108.800 -0.253 0.000 2.176 51 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.232 51 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.232 51 G C 0.451 175.145 174.900 -0.342 0.000 0.986 51 G CA 0.096 45.034 45.100 -0.270 0.000 0.643 51 G HN 0.328 nan 8.290 nan 0.000 0.522 52 Y N 0.364 120.689 120.300 0.041 0.000 2.477 52 Y HA 0.580 5.130 4.550 -0.000 0.000 0.303 52 Y C 1.856 177.811 175.900 0.092 0.000 1.202 52 Y CA 0.611 58.770 58.100 0.098 0.000 1.282 52 Y CB 0.335 38.927 38.460 0.221 0.000 1.071 52 Y HN 0.283 nan 8.280 nan 0.000 0.510 53 M N 1.916 121.565 119.600 0.082 0.000 3.053 53 M HA 0.235 4.715 4.480 -0.000 0.000 0.293 53 M C -2.749 173.506 176.300 -0.076 0.000 1.470 53 M CA -1.628 53.728 55.300 0.093 0.000 0.582 53 M CB 1.183 33.844 32.600 0.102 0.000 1.435 53 M HN -0.193 nan 8.290 nan 0.000 0.451 54 P HA 0.080 nan 4.420 nan 0.000 0.266 54 P C -0.079 177.133 177.300 -0.147 0.000 1.195 54 P CA 0.589 63.574 63.100 -0.191 0.000 0.768 54 P CB 1.784 33.355 31.700 -0.214 0.000 0.838 55 G N 3.568 112.305 108.800 -0.105 0.000 2.446 55 G HA2 0.104 4.064 3.960 -0.000 0.000 0.202 55 G HA3 0.104 4.064 3.960 -0.000 0.000 0.202 55 G C -0.000 174.905 174.900 0.009 0.000 1.842 55 G CA -0.389 44.742 45.100 0.052 0.000 0.703 55 G HN 0.384 nan 8.290 nan 0.000 0.731 56 R N 2.043 122.639 120.500 0.159 0.000 2.429 56 R HA 0.294 4.634 4.340 -0.000 0.000 0.302 56 R C 1.207 177.446 176.300 -0.102 0.000 1.268 56 R CA -0.279 55.785 56.100 -0.061 0.000 1.090 56 R CB 0.430 30.656 30.300 -0.123 0.000 1.102 56 R HN 0.303 nan 8.270 nan 0.000 0.522 57 L N 1.377 122.379 121.223 -0.369 0.000 2.127 57 L HA -0.234 4.106 4.340 -0.000 0.000 0.211 57 L C 1.196 177.920 176.870 -0.242 0.000 1.089 57 L CA 1.568 56.041 54.840 -0.611 0.000 0.757 57 L CB -0.356 40.708 42.059 -1.658 0.000 0.899 57 L HN 0.603 nan 8.230 nan 0.000 0.434 58 Y N -1.052 119.161 120.300 -0.145 0.000 2.544 58 Y HA -0.022 4.528 4.550 -0.000 0.000 0.286 58 Y C 1.121 177.061 175.900 0.066 0.000 1.141 58 Y CA 0.005 58.052 58.100 -0.088 0.000 1.299 58 Y CB -0.059 38.181 38.460 -0.366 0.000 1.030 58 Y HN 0.045 nan 8.280 nan 0.000 0.543 59 D N 0.782 121.294 120.400 0.185 0.000 2.558 59 D HA 0.063 4.703 4.640 -0.000 0.000 0.221 59 D C 1.095 177.537 176.300 0.237 0.000 1.143 59 D CA 0.213 54.317 54.000 0.173 0.000 1.010 59 D CB -0.084 40.757 40.800 0.067 0.000 1.068 59 D HN 0.099 nan 8.370 nan 0.000 0.511 60 I N 1.340 122.100 120.570 0.317 0.000 2.439 60 I HA -0.144 4.026 4.170 -0.000 0.000 0.251 60 I C 1.441 177.710 176.117 0.252 0.000 1.139 60 I CA 0.573 62.065 61.300 0.320 0.000 1.438 60 I CB -0.507 37.715 38.000 0.369 0.000 1.085 60 I HN 0.218 nan 8.210 nan 0.000 0.427 61 D N 1.424 121.952 120.400 0.212 0.000 2.311 61 D HA -0.089 4.551 4.640 -0.000 0.000 0.212 61 D C 2.000 178.384 176.300 0.140 0.000 0.972 61 D CA 1.059 55.158 54.000 0.165 0.000 0.887 61 D CB 0.132 41.011 40.800 0.131 0.000 0.915 61 D HN 0.316 nan 8.370 nan 0.000 0.497 62 A N -0.033 122.874 122.820 0.144 0.000 2.251 62 A HA 0.067 4.387 4.320 -0.000 0.000 0.209 62 A C 1.320 178.970 177.584 0.111 0.000 1.187 62 A CA -0.056 52.056 52.037 0.124 0.000 0.823 62 A CB 0.062 19.148 19.000 0.143 0.000 0.846 62 A HN 0.109 nan 8.150 nan 0.000 0.486 63 S N -0.081 115.697 115.700 0.130 0.000 2.572 63 S HA 0.158 4.628 4.470 -0.000 0.000 0.279 63 S C 1.115 175.713 174.600 -0.003 0.000 1.341 63 S CA -0.424 57.825 58.200 0.082 0.000 1.043 63 S CB 0.478 63.806 63.200 0.213 0.000 0.887 63 S HN 0.338 nan 8.310 nan 0.000 0.516 64 K N 3.182 123.484 120.400 -0.164 0.000 2.365 64 K HA -0.035 4.285 4.320 -0.000 0.000 0.199 64 K C 1.175 177.629 176.600 -0.244 0.000 1.045 64 K CA 1.168 57.338 56.287 -0.196 0.000 0.962 64 K CB -0.327 32.018 32.500 -0.257 0.000 0.759 64 K HN 0.736 nan 8.250 nan 0.000 0.469 65 Y N 0.290 120.502 120.300 -0.148 0.000 2.457 65 Y HA 0.088 4.638 4.550 -0.000 0.000 0.292 65 Y C 1.429 176.971 175.900 -0.598 0.000 1.125 65 Y CA 0.669 58.509 58.100 -0.433 0.000 1.254 65 Y CB 0.316 38.350 38.460 -0.711 0.000 1.012 65 Y HN 0.120 nan 8.280 nan 0.000 0.555 66 G N -0.354 108.416 108.800 -0.050 0.000 2.353 66 G HA2 0.097 4.057 3.960 -0.000 0.000 0.308 66 G HA3 0.097 4.057 3.960 -0.000 0.000 0.308 66 G C -1.463 173.656 174.900 0.364 0.000 1.418 66 G CA -0.870 44.347 45.100 0.194 0.000 0.966 66 G HN 0.223 nan 8.290 nan 0.000 0.638 67 N N -0.273 118.594 118.700 0.278 0.000 2.405 67 N HA 0.653 5.393 4.740 -0.000 0.000 0.269 67 N C 1.715 177.350 175.510 0.208 0.000 1.249 67 N CA 0.497 53.682 53.050 0.224 0.000 0.974 67 N CB 0.652 39.227 38.487 0.148 0.000 1.204 67 N HN 1.300 nan 8.380 nan 0.000 0.565 68 A N -0.372 122.544 122.820 0.159 0.000 1.908 68 A HA -0.048 4.272 4.320 -0.000 0.000 0.218 68 A C 2.175 179.770 177.584 0.019 0.000 1.181 68 A CA 2.382 54.476 52.037 0.095 0.000 0.627 68 A CB -1.603 17.476 19.000 0.132 0.000 0.818 68 A HN 0.873 nan 8.150 nan 0.000 0.445 69 A N -0.154 122.690 122.820 0.041 0.000 1.902 69 A HA -0.186 4.134 4.320 -0.000 0.000 0.217 69 A C 1.920 179.497 177.584 -0.012 0.000 1.181 69 A CA 1.676 53.718 52.037 0.008 0.000 0.623 69 A CB -0.549 18.467 19.000 0.027 0.000 0.818 69 A HN 0.656 nan 8.150 nan 0.000 0.443 70 E N -0.803 119.422 120.200 0.041 0.000 2.106 70 E HA -0.159 4.191 4.350 -0.000 0.000 0.192 70 E C 1.930 178.488 176.600 -0.070 0.000 0.984 70 E CA 1.123 57.560 56.400 0.063 0.000 0.806 70 E CB -0.237 29.590 29.700 0.211 0.000 0.750 70 E HN 0.499 nan 8.360 nan 0.000 0.458 71 L N 1.679 122.774 121.223 -0.213 0.000 2.056 71 L HA -0.123 4.217 4.340 -0.000 0.000 0.207 71 L C 1.858 178.466 176.870 -0.437 0.000 1.078 71 L CA 1.817 56.282 54.840 -0.625 0.000 0.749 71 L CB -0.145 41.541 42.059 -0.621 0.000 0.901 71 L HN -0.129 nan 8.230 nan 0.000 0.433 72 K N -0.976 119.248 120.400 -0.292 0.000 2.147 72 K HA -0.091 4.229 4.320 -0.000 0.000 0.205 72 K C 2.073 178.531 176.600 -0.236 0.000 1.049 72 K CA 1.395 57.515 56.287 -0.278 0.000 0.936 72 K CB -0.108 32.277 32.500 -0.193 0.000 0.722 72 K HN 0.324 nan 8.250 nan 0.000 0.446 73 S N 1.294 116.890 115.700 -0.175 0.000 2.383 73 S HA -0.108 4.362 4.470 -0.000 0.000 0.227 73 S C 1.758 176.263 174.600 -0.158 0.000 1.026 73 S CA 0.785 58.905 58.200 -0.133 0.000 0.981 73 S CB -0.127 63.025 63.200 -0.080 0.000 0.818 73 S HN 0.187 nan 8.310 nan 0.000 0.472 74 L N 1.959 123.067 121.223 -0.192 0.000 2.027 74 L HA 0.091 4.431 4.340 -0.000 0.000 0.206 74 L C 1.878 178.599 176.870 -0.249 0.000 1.074 74 L CA 1.579 56.308 54.840 -0.184 0.000 0.745 74 L CB -0.561 41.392 42.059 -0.176 0.000 0.898 74 L HN 0.264 nan 8.230 nan 0.000 0.433 75 I N -0.403 119.943 120.570 -0.374 0.000 2.286 75 I HA -0.215 3.955 4.170 -0.000 0.000 0.248 75 I C 2.433 178.226 176.117 -0.541 0.000 1.115 75 I CA 1.252 62.234 61.300 -0.530 0.000 1.392 75 I CB -1.058 36.516 38.000 -0.709 0.000 1.065 75 I HN 0.446 nan 8.210 nan 0.000 0.418 76 G N 0.496 109.086 108.800 -0.350 0.000 2.418 76 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.217 76 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.217 76 G C 1.871 176.693 174.900 -0.130 0.000 1.158 76 G CA 0.808 45.783 45.100 -0.209 0.000 0.771 76 G HN 0.486 nan 8.290 nan 0.000 0.545 77 A N 0.635 123.376 122.820 -0.132 0.000 1.877 77 A HA 0.083 4.403 4.320 -0.000 0.000 0.216 77 A C 2.450 179.993 177.584 -0.068 0.000 1.186 77 A CA 1.313 53.300 52.037 -0.083 0.000 0.620 77 A CB -0.454 18.497 19.000 -0.081 0.000 0.822 77 A HN 0.348 nan 8.150 nan 0.000 0.443 78 L N -1.450 119.711 121.223 -0.104 0.000 2.012 78 L HA -0.250 4.090 4.340 -0.000 0.000 0.210 78 L C 2.585 179.467 176.870 0.020 0.000 1.073 78 L CA 1.864 56.666 54.840 -0.063 0.000 0.748 78 L CB -0.860 41.142 42.059 -0.095 0.000 0.891 78 L HN 0.546 nan 8.230 nan 0.000 0.431 79 H N -0.948 118.067 119.070 -0.091 0.000 2.387 79 H HA -0.137 4.419 4.556 -0.000 0.000 0.299 79 H C 2.240 177.524 175.328 -0.074 0.000 1.099 79 H CA 0.532 56.526 56.048 -0.091 0.000 1.315 79 H CB -0.102 29.599 29.762 -0.101 0.000 1.380 79 H HN 0.436 nan 8.280 nan 0.000 0.513 80 G N 0.674 109.511 108.800 0.062 0.000 2.470 80 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.220 80 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.220 80 G C 1.438 176.338 174.900 -0.001 0.000 1.121 80 G CA 0.471 45.579 45.100 0.013 0.000 0.766 80 G HN 0.210 nan 8.290 nan 0.000 0.553 81 K N 0.021 120.421 120.400 -0.000 0.000 2.372 81 K HA 0.217 4.537 4.320 -0.000 0.000 0.200 81 K C 1.421 178.014 176.600 -0.013 0.000 1.022 81 K CA 0.364 56.645 56.287 -0.010 0.000 1.125 81 K CB 0.550 33.041 32.500 -0.015 0.000 0.855 81 K HN 0.316 nan 8.250 nan 0.000 0.524 82 G N 1.214 110.006 108.800 -0.013 0.000 2.143 82 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.248 82 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.248 82 G C 0.023 174.893 174.900 -0.050 0.000 0.991 82 G CA 0.228 45.305 45.100 -0.037 0.000 0.689 82 G HN 0.114 nan 8.290 nan 0.000 0.522 83 V N 1.009 120.912 119.914 -0.019 0.000 2.427 83 V HA 0.469 4.589 4.120 -0.000 0.000 0.286 83 V C 0.666 176.770 176.094 0.017 0.000 1.034 83 V CA -0.665 61.611 62.300 -0.041 0.000 0.893 83 V CB 1.659 33.469 31.823 -0.023 0.000 0.982 83 V HN 0.452 nan 8.190 nan 0.000 0.452 84 Q N 2.181 121.912 119.800 -0.115 0.000 2.256 84 Q HA 0.723 5.063 4.340 -0.000 0.000 0.232 84 Q C -0.200 175.863 176.000 0.105 0.000 0.965 84 Q CA -0.528 55.270 55.803 -0.008 0.000 0.908 84 Q CB 1.560 30.174 28.738 -0.206 0.000 1.209 84 Q HN 0.885 nan 8.270 nan 0.000 0.489 85 A N 1.857 124.784 122.820 0.177 0.000 2.318 85 A HA 0.589 4.909 4.320 -0.000 0.000 0.317 85 A C -0.756 177.067 177.584 0.398 0.000 1.159 85 A CA -0.626 51.556 52.037 0.241 0.000 0.799 85 A CB 0.499 19.519 19.000 0.034 0.000 1.194 85 A HN 0.654 nan 8.150 nan 0.000 0.479 86 I N 2.240 123.065 120.570 0.425 0.000 2.354 86 I HA 0.513 4.683 4.170 -0.000 0.000 0.292 86 I C 0.615 176.911 176.117 0.298 0.000 0.989 86 I CA -0.319 61.168 61.300 0.312 0.000 1.188 86 I CB 1.912 40.068 38.000 0.259 0.000 1.342 86 I HN 0.705 nan 8.210 nan 0.000 0.457 87 A N 4.875 127.662 122.820 -0.054 0.000 2.301 87 A HA 0.304 4.624 4.320 -0.000 0.000 0.312 87 A C -0.448 177.129 177.584 -0.011 0.000 1.182 87 A CA -0.537 51.227 52.037 -0.456 0.000 0.826 87 A CB 0.637 18.811 19.000 -1.376 0.000 1.134 87 A HN 0.689 nan 8.150 nan 0.000 0.501 88 D N 2.627 123.081 120.400 0.089 0.000 2.352 88 D HA 0.192 4.832 4.640 -0.000 0.000 0.245 88 D C -0.435 175.906 176.300 0.067 0.000 1.224 88 D CA 0.051 54.189 54.000 0.230 0.000 0.879 88 D CB 0.295 41.330 40.800 0.390 0.000 1.057 88 D HN 0.231 nan 8.370 nan 0.000 0.491 89 I N 5.042 125.646 120.570 0.056 0.000 2.297 89 I HA 0.100 4.270 4.170 -0.000 0.000 0.291 89 I C 0.127 176.282 176.117 0.062 0.000 1.033 89 I CA -0.667 60.624 61.300 -0.015 0.000 1.253 89 I CB 1.130 39.011 38.000 -0.197 0.000 1.396 89 I HN 0.071 nan 8.210 nan 0.000 0.476 90 V N 8.327 128.264 119.914 0.040 0.000 2.277 90 V HA 0.288 4.408 4.120 -0.000 0.000 0.269 90 V C 1.029 177.044 176.094 -0.131 0.000 1.036 90 V CA -0.196 62.099 62.300 -0.010 0.000 0.821 90 V CB 0.884 32.672 31.823 -0.058 0.000 1.052 90 V HN 0.682 nan 8.190 nan 0.000 0.462 91 I N 0.641 121.155 120.570 -0.093 0.000 4.225 91 I HA 0.356 4.526 4.170 -0.000 0.000 0.327 91 I C 1.465 177.586 176.117 0.007 0.000 1.422 91 I CA 0.062 61.277 61.300 -0.141 0.000 1.150 91 I CB 0.210 38.047 38.000 -0.271 0.000 1.192 91 I HN 0.476 nan 8.210 nan 0.000 0.440 92 N N 2.051 120.824 118.700 0.122 0.000 2.142 92 N HA -0.128 4.612 4.740 -0.000 0.000 0.186 92 N C 0.735 176.430 175.510 0.309 0.000 1.023 92 N CA 1.499 54.788 53.050 0.399 0.000 0.852 92 N CB 0.054 38.929 38.487 0.647 0.000 0.998 92 N HN 0.672 nan 8.380 nan 0.000 0.424 93 H N -2.406 116.776 119.070 0.188 0.000 2.907 93 H HA 0.631 5.187 4.556 -0.000 0.000 0.361 93 H C -0.896 174.477 175.328 0.075 0.000 1.194 93 H CA -1.118 55.019 56.048 0.149 0.000 1.152 93 H CB 1.232 31.120 29.762 0.210 0.000 1.867 93 H HN 0.041 nan 8.280 nan 0.000 0.561 94 R N 0.680 121.312 120.500 0.219 0.000 2.634 94 R HA 0.426 4.766 4.340 -0.000 0.000 0.263 94 R C -1.825 174.641 176.300 0.277 0.000 1.060 94 R CA -0.480 55.715 56.100 0.159 0.000 0.898 94 R CB 1.931 32.271 30.300 0.066 0.000 1.253 94 R HN 0.728 nan 8.270 nan 0.000 0.461 95 C N 2.483 121.869 119.300 0.144 0.000 2.350 95 C HA 0.727 5.187 4.460 -0.000 0.000 0.348 95 C C 0.543 175.462 174.990 -0.118 0.000 1.260 95 C CA -0.387 58.621 59.018 -0.016 0.000 1.966 95 C CB 0.757 28.450 27.740 -0.078 0.000 2.380 95 C HN 0.736 nan 8.230 nan 0.000 0.535 96 A N 2.571 125.097 122.820 -0.491 0.000 2.290 96 A HA 0.415 4.735 4.320 -0.000 0.000 0.310 96 A C 0.593 177.965 177.584 -0.355 0.000 1.202 96 A CA -0.226 51.325 52.037 -0.810 0.000 0.837 96 A CB 0.324 18.532 19.000 -1.320 0.000 1.139 96 A HN 0.909 nan 8.150 nan 0.000 0.509 97 D N 0.313 120.476 120.400 -0.394 0.000 2.144 97 D HA -0.009 4.631 4.640 -0.000 0.000 0.199 97 D C -0.260 175.757 176.300 -0.472 0.000 0.984 97 D CA 2.070 55.736 54.000 -0.557 0.000 0.834 97 D CB -0.095 40.097 40.800 -1.013 0.000 0.955 97 D HN 0.624 nan 8.370 nan 0.000 0.465 98 Y N -0.374 119.970 120.300 0.073 0.000 2.562 98 Y HA 0.452 5.002 4.550 -0.000 0.000 0.343 98 Y C 0.492 176.348 175.900 -0.074 0.000 1.025 98 Y CA -1.175 56.953 58.100 0.046 0.000 1.082 98 Y CB 1.196 39.653 38.460 -0.006 0.000 1.264 98 Y HN -0.465 nan 8.280 nan 0.000 0.478 99 K N 1.528 121.890 120.400 -0.062 0.000 2.098 99 K HA 0.240 4.560 4.320 -0.000 0.000 0.261 99 K C -0.697 175.857 176.600 -0.078 0.000 0.987 99 K CA -0.832 55.306 56.287 -0.248 0.000 0.916 99 K CB 0.716 32.969 32.500 -0.412 0.000 1.039 99 K HN 0.728 nan 8.250 nan 0.000 0.455 100 D N -0.544 119.818 120.400 -0.063 0.000 2.539 100 D HA -0.007 4.633 4.640 -0.000 0.000 0.280 100 D C 0.805 177.085 176.300 -0.033 0.000 1.208 100 D CA -0.538 53.452 54.000 -0.017 0.000 1.088 100 D CB 0.130 40.942 40.800 0.019 0.000 1.149 100 D HN 0.388 nan 8.370 nan 0.000 0.596 101 S N -1.168 114.523 115.700 -0.015 0.000 2.469 101 S HA -0.131 4.339 4.470 -0.000 0.000 0.238 101 S C 1.486 176.072 174.600 -0.022 0.000 0.998 101 S CA 0.433 58.621 58.200 -0.019 0.000 0.957 101 S CB -0.453 62.741 63.200 -0.009 0.000 0.764 101 S HN 0.466 nan 8.310 nan 0.000 0.514 102 R N 0.682 121.171 120.500 -0.019 0.000 2.297 102 R HA 0.266 4.606 4.340 -0.000 0.000 0.197 102 R C 1.561 177.837 176.300 -0.040 0.000 0.943 102 R CA 0.415 56.503 56.100 -0.020 0.000 1.038 102 R CB -0.245 30.053 30.300 -0.004 0.000 0.957 102 R HN 0.566 nan 8.270 nan 0.000 0.484 103 G N 1.425 110.185 108.800 -0.068 0.000 2.143 103 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.249 103 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.249 103 G C 0.116 174.927 174.900 -0.149 0.000 0.981 103 G CA -0.191 44.842 45.100 -0.112 0.000 0.665 103 G HN 0.224 nan 8.290 nan 0.000 0.528 104 I N 0.288 120.799 120.570 -0.099 0.000 2.392 104 I HA 0.344 4.514 4.170 -0.000 0.000 0.295 104 I C 0.243 176.331 176.117 -0.050 0.000 0.985 104 I CA -1.240 60.041 61.300 -0.031 0.000 1.221 104 I CB 0.968 38.999 38.000 0.053 0.000 1.366 104 I HN 0.021 nan 8.210 nan 0.000 0.467 105 Y N 5.463 125.822 120.300 0.098 0.000 2.644 105 Y HA 0.065 4.615 4.550 -0.000 0.000 0.354 105 Y C 1.042 176.889 175.900 -0.090 0.000 1.166 105 Y CA -0.155 57.944 58.100 -0.001 0.000 1.591 105 Y CB 0.129 38.583 38.460 -0.011 0.000 1.346 105 Y HN 0.673 nan 8.280 nan 0.000 0.497 106 C N 0.343 119.625 119.300 -0.030 0.000 3.722 106 C HA 0.464 4.924 4.460 -0.000 0.000 0.279 106 C C -0.238 174.681 174.990 -0.118 0.000 1.819 106 C CA -0.674 58.279 59.018 -0.107 0.000 1.744 106 C CB -0.977 26.846 27.740 0.139 0.000 3.247 106 C HN 0.409 nan 8.230 nan 0.000 0.549 107 I N 2.946 123.446 120.570 -0.118 0.000 2.330 107 I HA 0.463 4.633 4.170 -0.000 0.000 0.286 107 I C -0.339 175.764 176.117 -0.023 0.000 1.025 107 I CA -0.653 60.694 61.300 0.078 0.000 1.197 107 I CB -0.164 37.937 38.000 0.169 0.000 1.358 107 I HN 0.106 nan 8.210 nan 0.000 0.467 108 F N 4.022 124.037 119.950 0.109 0.000 2.370 108 F HA 0.467 4.994 4.527 -0.000 0.000 0.319 108 F C 0.745 176.522 175.800 -0.038 0.000 1.129 108 F CA -0.551 57.440 58.000 -0.016 0.000 1.109 108 F CB 0.725 39.676 39.000 -0.082 0.000 1.262 108 F HN 0.355 nan 8.300 nan 0.000 0.534 109 E N -0.604 119.629 120.200 0.055 0.000 2.260 109 E HA 0.404 4.754 4.350 -0.000 0.000 0.266 109 E C 0.386 176.923 176.600 -0.104 0.000 0.887 109 E CA -0.387 56.008 56.400 -0.009 0.000 0.777 109 E CB 1.475 31.157 29.700 -0.030 0.000 1.205 109 E HN 0.558 nan 8.360 nan 0.000 0.414 110 G N 2.546 111.271 108.800 -0.124 0.000 2.464 110 G HA2 0.269 4.229 3.960 -0.000 0.000 0.217 110 G HA3 0.269 4.229 3.960 -0.000 0.000 0.217 110 G C 0.988 175.867 174.900 -0.036 0.000 1.138 110 G CA 0.392 45.410 45.100 -0.136 0.000 0.793 110 G HN 1.333 nan 8.290 nan 0.000 0.539 111 G N -1.175 107.594 108.800 -0.050 0.000 2.168 111 G HA2 -0.067 3.893 3.960 -0.000 0.000 0.197 111 G HA3 -0.067 3.893 3.960 -0.000 0.000 0.197 111 G C 0.350 175.210 174.900 -0.067 0.000 0.997 111 G CA 0.794 45.873 45.100 -0.035 0.000 0.658 111 G HN 1.379 nan 8.290 nan 0.000 0.513 112 T N -2.283 112.195 114.554 -0.127 0.000 2.930 112 T HA 0.712 5.062 4.350 -0.000 0.000 0.290 112 T C 1.673 176.307 174.700 -0.111 0.000 1.052 112 T CA 0.803 62.794 62.100 -0.181 0.000 1.017 112 T CB 1.586 70.235 68.868 -0.365 0.000 1.137 112 T HN 1.029 nan 8.240 nan 0.000 0.511 113 S N 0.513 116.156 115.700 -0.095 0.000 2.399 113 S HA -0.083 4.387 4.470 -0.000 0.000 0.231 113 S C 0.662 175.229 174.600 -0.055 0.000 1.022 113 S CA 1.072 59.237 58.200 -0.058 0.000 0.983 113 S CB -1.025 62.147 63.200 -0.047 0.000 0.803 113 S HN 0.966 nan 8.310 nan 0.000 0.480 114 D N 0.809 121.162 120.400 -0.078 0.000 2.469 114 D HA 0.480 5.120 4.640 -0.000 0.000 0.278 114 D C 1.336 177.607 176.300 -0.048 0.000 1.231 114 D CA -0.104 53.861 54.000 -0.058 0.000 1.075 114 D CB -0.411 40.350 40.800 -0.066 0.000 1.121 114 D HN 0.096 nan 8.370 nan 0.000 0.571 115 G N -1.723 107.063 108.800 -0.023 0.000 2.920 115 G HA2 -0.061 3.899 3.960 -0.000 0.000 0.208 115 G HA3 -0.061 3.899 3.960 -0.000 0.000 0.208 115 G C 0.310 175.209 174.900 -0.001 0.000 1.159 115 G CA -0.436 44.666 45.100 0.004 0.000 0.784 115 G HN 0.232 nan 8.290 nan 0.000 0.535 116 R N 0.336 120.810 120.500 -0.043 0.000 2.488 116 R HA 0.165 4.505 4.340 -0.000 0.000 0.317 116 R C 0.629 176.878 176.300 -0.084 0.000 0.941 116 R CA 0.129 56.210 56.100 -0.032 0.000 1.076 116 R CB -0.025 30.207 30.300 -0.113 0.000 0.917 116 R HN 0.285 nan 8.270 nan 0.000 0.407 117 L N 1.120 122.250 121.223 -0.155 0.000 4.696 117 L HA -0.265 4.075 4.340 -0.000 0.000 0.425 117 L C -0.459 176.019 176.870 -0.653 0.000 1.115 117 L CA 0.567 54.986 54.840 -0.702 0.000 0.996 117 L CB -1.037 40.611 42.059 -0.686 0.000 2.077 117 L HN 0.701 nan 8.230 nan 0.000 0.792 118 D N 0.691 120.982 120.400 -0.181 0.000 2.801 118 D HA 0.116 4.756 4.640 -0.000 0.000 0.232 118 D C 0.537 176.963 176.300 0.210 0.000 1.128 118 D CA 0.048 54.058 54.000 0.017 0.000 1.003 118 D CB 0.023 40.864 40.800 0.068 0.000 1.110 118 D HN 0.174 nan 8.370 nan 0.000 0.477 119 W N 0.807 122.167 121.300 0.100 0.000 1.924 119 W HA 0.529 5.189 4.660 -0.000 0.000 0.363 119 W C 1.174 177.880 176.519 0.312 0.000 1.435 119 W CA -0.927 56.468 57.345 0.084 0.000 1.497 119 W CB -0.177 29.153 29.460 -0.217 0.000 1.263 119 W HN 0.052 nan 8.180 nan 0.000 0.667 120 G N -0.845 108.269 108.800 0.525 0.000 3.086 120 G HA2 0.446 4.406 3.960 -0.000 0.000 0.282 120 G HA3 0.446 4.406 3.960 -0.000 0.000 0.282 120 G C -2.386 172.760 174.900 0.410 0.000 1.343 120 G CA -0.949 44.414 45.100 0.439 0.000 0.895 120 G HN 0.030 nan 8.290 nan 0.000 0.557 121 P HA -0.122 nan 4.420 nan 0.000 0.218 121 P C 1.243 178.663 177.300 0.200 0.000 1.146 121 P CA 1.181 64.434 63.100 0.256 0.000 0.813 121 P CB 0.079 31.894 31.700 0.192 0.000 0.778 122 H N -1.156 117.962 119.070 0.080 0.000 2.521 122 H HA 0.012 4.568 4.556 -0.000 0.000 0.286 122 H C 1.257 176.543 175.328 -0.069 0.000 1.034 122 H CA 1.345 57.398 56.048 0.008 0.000 1.278 122 H CB -0.391 29.368 29.762 -0.004 0.000 1.386 122 H HN -0.015 nan 8.280 nan 0.000 0.567 123 M N -0.020 119.494 119.600 -0.143 0.000 2.431 123 M HA 0.238 4.718 4.480 -0.000 0.000 0.237 123 M C -0.426 175.699 176.300 -0.290 0.000 1.130 123 M CA 0.303 55.360 55.300 -0.404 0.000 1.002 123 M CB 0.487 32.681 32.600 -0.676 0.000 1.524 123 M HN 0.059 nan 8.290 nan 0.000 0.482 124 I N -0.378 120.142 120.570 -0.083 0.000 2.354 124 I HA 0.194 4.364 4.170 -0.000 0.000 0.292 124 I C -0.135 175.977 176.117 -0.008 0.000 0.989 124 I CA -0.981 60.329 61.300 0.017 0.000 1.188 124 I CB 1.312 39.422 38.000 0.184 0.000 1.342 124 I HN 0.005 nan 8.210 nan 0.000 0.457 125 C N 5.798 125.093 119.300 -0.009 0.000 2.298 125 C HA -0.074 4.386 4.460 -0.000 0.000 0.395 125 C C 2.189 177.204 174.990 0.041 0.000 1.526 125 C CA -0.120 58.902 59.018 0.006 0.000 1.458 125 C CB -1.095 26.676 27.740 0.051 0.000 2.506 125 C HN 0.938 nan 8.230 nan 0.000 0.604 126 R N 2.755 123.266 120.500 0.019 0.000 2.152 126 R HA -0.131 4.209 4.340 -0.000 0.000 0.232 126 R C 1.191 177.523 176.300 0.053 0.000 1.117 126 R CA 2.092 58.216 56.100 0.039 0.000 0.981 126 R CB -0.362 29.954 30.300 0.027 0.000 0.870 126 R HN 0.837 nan 8.270 nan 0.000 0.451 127 D N 0.180 120.612 120.400 0.053 0.000 2.363 127 D HA -0.126 4.514 4.640 -0.000 0.000 0.226 127 D C -0.070 176.275 176.300 0.074 0.000 1.020 127 D CA 0.292 54.325 54.000 0.056 0.000 0.892 127 D CB -0.262 40.569 40.800 0.052 0.000 0.900 127 D HN 0.190 nan 8.370 nan 0.000 0.531 128 D N 1.651 122.111 120.400 0.101 0.000 2.631 128 D HA -0.002 4.638 4.640 -0.000 0.000 0.227 128 D C 1.349 177.722 176.300 0.121 0.000 1.146 128 D CA -0.017 54.067 54.000 0.139 0.000 1.009 128 D CB 0.236 41.163 40.800 0.212 0.000 1.057 128 D HN 0.083 nan 8.370 nan 0.000 0.509 129 T N -0.818 113.775 114.554 0.064 0.000 2.918 129 T HA -0.230 4.120 4.350 -0.000 0.000 0.271 129 T C 1.685 176.377 174.700 -0.014 0.000 1.104 129 T CA 0.959 63.078 62.100 0.031 0.000 1.114 129 T CB -0.039 68.836 68.868 0.012 0.000 0.855 129 T HN 0.269 nan 8.240 nan 0.000 0.518 130 K N -0.470 119.888 120.400 -0.069 0.000 2.211 130 K HA -0.068 4.252 4.320 -0.000 0.000 0.203 130 K C 1.068 177.422 176.600 -0.410 0.000 1.050 130 K CA 1.157 57.275 56.287 -0.282 0.000 0.945 130 K CB -0.033 32.211 32.500 -0.427 0.000 0.732 130 K HN 0.573 nan 8.250 nan 0.000 0.451 131 Y N -0.798 119.543 120.300 0.069 0.000 2.494 131 Y HA 0.132 4.682 4.550 -0.000 0.000 0.271 131 Y C 1.099 177.055 175.900 0.093 0.000 1.113 131 Y CA -0.188 57.965 58.100 0.087 0.000 1.240 131 Y CB 0.250 38.784 38.460 0.123 0.000 1.268 131 Y HN -0.024 nan 8.280 nan 0.000 0.510 132 S N 1.005 116.844 115.700 0.232 0.000 2.606 132 S HA 0.038 4.508 4.470 -0.000 0.000 0.257 132 S C 0.539 175.212 174.600 0.121 0.000 1.327 132 S CA 0.149 58.450 58.200 0.167 0.000 0.984 132 S CB 0.717 63.991 63.200 0.124 0.000 0.941 132 S HN 0.407 nan 8.310 nan 0.000 0.576 133 D N -1.943 118.524 120.400 0.112 0.000 2.440 133 D HA 0.246 4.886 4.640 -0.000 0.000 0.216 133 D C 1.213 177.559 176.300 0.077 0.000 1.150 133 D CA 0.185 54.240 54.000 0.091 0.000 0.832 133 D CB -0.614 40.246 40.800 0.101 0.000 0.992 133 D HN 1.129 nan 8.370 nan 0.000 0.502 134 G N 0.700 109.544 108.800 0.073 0.000 2.155 134 G HA2 -0.365 3.595 3.960 -0.000 0.000 0.257 134 G HA3 -0.365 3.595 3.960 -0.000 0.000 0.257 134 G C 1.066 176.006 174.900 0.066 0.000 0.983 134 G CA 1.135 46.271 45.100 0.059 0.000 0.676 134 G HN 0.642 nan 8.290 nan 0.000 0.528 135 T N -3.081 111.532 114.554 0.099 0.000 3.014 135 T HA 0.682 5.032 4.350 -0.000 0.000 0.250 135 T C 1.534 176.300 174.700 0.111 0.000 1.060 135 T CA 1.371 63.559 62.100 0.147 0.000 1.040 135 T CB 0.396 69.418 68.868 0.256 0.000 0.971 135 T HN 1.534 nan 8.240 nan 0.000 0.497 136 A N 2.120 124.927 122.820 -0.021 0.000 2.251 136 A HA 0.525 4.845 4.320 -0.000 0.000 0.278 136 A C 0.502 178.030 177.584 -0.093 0.000 1.206 136 A CA -0.727 51.194 52.037 -0.194 0.000 0.822 136 A CB 0.079 18.929 19.000 -0.250 0.000 1.187 136 A HN 0.451 nan 8.150 nan 0.000 0.504 137 N N -0.955 117.674 118.700 -0.118 0.000 2.347 137 N HA 0.336 5.076 4.740 -0.000 0.000 0.253 137 N C -0.446 175.044 175.510 -0.033 0.000 1.274 137 N CA -0.131 52.884 53.050 -0.058 0.000 0.941 137 N CB 0.335 38.784 38.487 -0.062 0.000 1.200 137 N HN 0.494 nan 8.380 nan 0.000 0.514 138 L N 0.358 121.578 121.223 -0.005 0.000 2.418 138 L HA 0.125 4.465 4.340 -0.000 0.000 0.265 138 L C 0.862 177.750 176.870 0.030 0.000 1.143 138 L CA -0.601 54.249 54.840 0.017 0.000 0.809 138 L CB 0.343 42.417 42.059 0.024 0.000 1.124 138 L HN 0.393 nan 8.230 nan 0.000 0.456 139 D N 0.600 121.032 120.400 0.054 0.000 2.488 139 D HA -0.049 4.591 4.640 -0.000 0.000 0.238 139 D C 1.010 177.365 176.300 0.093 0.000 1.138 139 D CA 0.167 54.219 54.000 0.087 0.000 0.873 139 D CB 1.351 42.219 40.800 0.114 0.000 1.183 139 D HN 0.678 nan 8.370 nan 0.000 0.458 140 T N 0.324 114.953 114.554 0.125 0.000 3.100 140 T HA 0.334 4.684 4.350 -0.000 0.000 0.253 140 T C 0.876 175.645 174.700 0.115 0.000 1.118 140 T CA 0.263 62.433 62.100 0.116 0.000 1.058 140 T CB 0.352 69.305 68.868 0.143 0.000 0.953 140 T HN 0.355 nan 8.240 nan 0.000 0.515 141 G N 0.363 109.239 108.800 0.126 0.000 2.947 141 G HA2 0.662 4.622 3.960 -0.000 0.000 0.293 141 G HA3 0.662 4.622 3.960 -0.000 0.000 0.293 141 G C -0.877 174.070 174.900 0.078 0.000 1.243 141 G CA -0.551 44.592 45.100 0.071 0.000 0.802 141 G HN 0.444 nan 8.290 nan 0.000 0.560 142 A N -0.708 122.130 122.820 0.030 0.000 2.346 142 A HA 0.558 4.878 4.320 -0.000 0.000 0.252 142 A C -0.195 177.558 177.584 0.281 0.000 1.089 142 A CA 0.364 52.485 52.037 0.139 0.000 0.797 142 A CB 0.461 19.572 19.000 0.185 0.000 1.047 142 A HN 0.690 nan 8.150 nan 0.000 0.494 143 D N -1.165 119.424 120.400 0.314 0.000 2.217 143 D HA 0.485 5.125 4.640 -0.000 0.000 0.248 143 D C -1.169 175.382 176.300 0.418 0.000 1.008 143 D CA -0.263 53.944 54.000 0.345 0.000 0.914 143 D CB 0.719 41.644 40.800 0.208 0.000 1.182 143 D HN 0.268 nan 8.370 nan 0.000 0.451 144 F N 3.271 123.349 119.950 0.214 0.000 2.347 144 F HA 0.527 5.054 4.527 -0.000 0.000 0.366 144 F C 0.769 176.565 175.800 -0.006 0.000 1.107 144 F CA -0.906 57.086 58.000 -0.013 0.000 1.058 144 F CB 0.990 39.866 39.000 -0.207 0.000 1.236 144 F HN 0.503 nan 8.300 nan 0.000 0.456 145 A N 4.555 127.132 122.820 -0.406 0.000 2.024 145 A HA -0.007 4.313 4.320 -0.000 0.000 0.220 145 A C 2.075 179.468 177.584 -0.320 0.000 1.164 145 A CA 1.665 53.529 52.037 -0.288 0.000 0.643 145 A CB -0.903 17.947 19.000 -0.250 0.000 0.806 145 A HN 0.925 nan 8.150 nan 0.000 0.451 146 A N -1.710 120.654 122.820 -0.759 0.000 2.206 146 A HA 0.591 4.911 4.320 -0.000 0.000 0.211 146 A C 0.948 178.515 177.584 -0.029 0.000 1.158 146 A CA 1.156 52.950 52.037 -0.404 0.000 0.761 146 A CB -0.524 18.166 19.000 -0.517 0.000 0.801 146 A HN 1.429 nan 8.150 nan 0.000 0.473 147 A N -1.187 121.689 122.820 0.093 0.000 2.610 147 A HA 0.659 4.979 4.320 -0.000 0.000 0.291 147 A C -3.296 174.309 177.584 0.036 0.000 1.086 147 A CA -1.532 50.566 52.037 0.103 0.000 0.677 147 A CB 0.394 19.566 19.000 0.287 0.000 1.278 147 A HN -0.047 nan 8.150 nan 0.000 0.414 148 P HA 0.267 nan 4.420 nan 0.000 0.267 148 P C -1.034 176.386 177.300 0.199 0.000 1.209 148 P CA 0.597 63.623 63.100 -0.124 0.000 0.763 148 P CB 0.313 31.940 31.700 -0.121 0.000 0.816 149 D N 2.830 123.376 120.400 0.243 0.000 2.264 149 D HA 0.204 4.844 4.640 -0.000 0.000 0.250 149 D C 0.227 176.590 176.300 0.104 0.000 1.113 149 D CA -0.118 54.032 54.000 0.249 0.000 0.871 149 D CB 0.387 41.349 40.800 0.271 0.000 1.167 149 D HN 0.125 nan 8.370 nan 0.000 0.447 150 I N 2.018 122.587 120.570 -0.002 0.000 2.529 150 I HA 0.048 4.218 4.170 -0.000 0.000 0.284 150 I C 0.535 176.390 176.117 -0.436 0.000 1.082 150 I CA -0.334 60.801 61.300 -0.275 0.000 1.406 150 I CB 0.789 38.545 38.000 -0.407 0.000 1.405 150 I HN 0.372 nan 8.210 nan 0.000 0.548 151 D N 5.551 125.692 120.400 -0.431 0.000 2.435 151 D HA 0.034 4.674 4.640 -0.000 0.000 0.230 151 D C 1.186 177.247 176.300 -0.397 0.000 1.215 151 D CA -0.020 53.777 54.000 -0.338 0.000 0.947 151 D CB 0.188 40.807 40.800 -0.302 0.000 1.048 151 D HN 0.287 nan 8.370 nan 0.000 0.512 152 H N 2.962 121.967 119.070 -0.108 0.000 2.561 152 H HA -0.021 4.535 4.556 -0.000 0.000 0.278 152 H C 1.485 176.764 175.328 -0.082 0.000 1.014 152 H CA 0.540 56.547 56.048 -0.068 0.000 1.211 152 H CB 0.520 30.279 29.762 -0.006 0.000 1.365 152 H HN 0.483 nan 8.280 nan 0.000 0.594 153 L N 0.229 121.436 121.223 -0.027 0.000 2.492 153 L HA -0.009 4.331 4.340 -0.000 0.000 0.223 153 L C 1.224 178.038 176.870 -0.093 0.000 1.132 153 L CA -0.001 54.812 54.840 -0.045 0.000 0.850 153 L CB -0.057 41.979 42.059 -0.038 0.000 0.966 153 L HN 0.132 nan 8.230 nan 0.000 0.454 154 N N 0.941 119.542 118.700 -0.164 0.000 2.475 154 N HA -0.114 4.626 4.740 -0.000 0.000 0.267 154 N C 0.469 175.893 175.510 -0.143 0.000 1.169 154 N CA 0.299 53.231 53.050 -0.198 0.000 0.947 154 N CB 1.562 39.837 38.487 -0.352 0.000 1.061 154 N HN 0.052 nan 8.380 nan 0.000 0.466 155 D N 3.192 123.541 120.400 -0.086 0.000 2.117 155 D HA -0.158 4.482 4.640 -0.000 0.000 0.197 155 D C 1.927 178.205 176.300 -0.037 0.000 0.987 155 D CA 1.310 55.282 54.000 -0.048 0.000 0.829 155 D CB 0.181 40.969 40.800 -0.020 0.000 0.961 155 D HN 0.636 nan 8.370 nan 0.000 0.460 156 R N -0.259 120.204 120.500 -0.061 0.000 2.092 156 R HA -0.092 4.248 4.340 -0.000 0.000 0.231 156 R C 2.103 178.380 176.300 -0.038 0.000 1.119 156 R CA 1.053 57.137 56.100 -0.026 0.000 0.970 156 R CB -0.258 30.020 30.300 -0.036 0.000 0.864 156 R HN 0.114 nan 8.270 nan 0.000 0.440 157 V N 1.451 121.207 119.914 -0.262 0.000 2.255 157 V HA -0.299 3.821 4.120 -0.000 0.000 0.247 157 V C 2.390 178.545 176.094 0.100 0.000 1.051 157 V CA 2.039 64.142 62.300 -0.328 0.000 1.018 157 V CB -0.544 30.892 31.823 -0.645 0.000 0.641 157 V HN 0.476 nan 8.190 nan 0.000 0.445 158 Q N -0.483 119.372 119.800 0.093 0.000 2.061 158 Q HA -0.278 4.062 4.340 -0.000 0.000 0.204 158 Q C 2.474 178.603 176.000 0.215 0.000 0.984 158 Q CA 2.096 58.008 55.803 0.182 0.000 0.846 158 Q CB -0.337 28.390 28.738 -0.018 0.000 0.902 158 Q HN 0.561 nan 8.270 nan 0.000 0.421 159 R N 1.043 121.629 120.500 0.142 0.000 2.073 159 R HA -0.166 4.174 4.340 -0.000 0.000 0.234 159 R C 1.880 178.312 176.300 0.220 0.000 1.134 159 R CA 1.677 57.869 56.100 0.154 0.000 0.952 159 R CB 0.027 30.394 30.300 0.112 0.000 0.850 159 R HN 0.293 nan 8.270 nan 0.000 0.433 160 E N 0.367 120.727 120.200 0.266 0.000 2.150 160 E HA -0.160 4.190 4.350 -0.000 0.000 0.193 160 E C 2.137 178.934 176.600 0.329 0.000 0.985 160 E CA 0.972 57.558 56.400 0.310 0.000 0.814 160 E CB -0.010 29.925 29.700 0.392 0.000 0.752 160 E HN 0.411 nan 8.360 nan 0.000 0.466 161 L N 0.879 122.319 121.223 0.362 0.000 2.109 161 L HA -0.135 4.205 4.340 -0.000 0.000 0.207 161 L C 2.391 179.460 176.870 0.332 0.000 1.086 161 L CA 1.035 56.065 54.840 0.316 0.000 0.760 161 L CB -0.191 41.990 42.059 0.204 0.000 0.910 161 L HN 0.029 nan 8.230 nan 0.000 0.437 162 K N -0.085 120.529 120.400 0.356 0.000 2.097 162 K HA -0.228 4.092 4.320 -0.000 0.000 0.205 162 K C 1.978 178.731 176.600 0.255 0.000 1.050 162 K CA 1.302 57.768 56.287 0.297 0.000 0.938 162 K CB -0.025 32.628 32.500 0.255 0.000 0.718 162 K HN 0.295 nan 8.250 nan 0.000 0.442 163 E N 0.115 120.482 120.200 0.278 0.000 2.077 163 E HA -0.227 4.123 4.350 -0.000 0.000 0.193 163 E C 1.816 178.642 176.600 0.376 0.000 0.989 163 E CA 1.143 57.720 56.400 0.294 0.000 0.800 163 E CB -0.126 29.742 29.700 0.280 0.000 0.746 163 E HN 0.394 nan 8.360 nan 0.000 0.452 164 W N 1.247 122.637 121.300 0.150 0.000 2.381 164 W HA -0.125 4.535 4.660 -0.000 0.000 0.301 164 W C 1.723 178.311 176.519 0.114 0.000 1.205 164 W CA 1.311 58.661 57.345 0.010 0.000 1.285 164 W CB -0.403 28.847 29.460 -0.349 0.000 1.133 164 W HN 0.056 nan 8.180 nan 0.000 0.521 165 L N 0.235 121.380 121.223 -0.130 0.000 2.046 165 L HA -0.250 4.090 4.340 -0.000 0.000 0.208 165 L C 2.563 179.460 176.870 0.045 0.000 1.077 165 L CA 1.319 55.921 54.840 -0.396 0.000 0.747 165 L CB -0.985 40.868 42.059 -0.342 0.000 0.896 165 L HN 0.043 nan 8.230 nan 0.000 0.432 166 L N -1.775 119.561 121.223 0.187 0.000 2.131 166 L HA -0.231 4.109 4.340 -0.000 0.000 0.210 166 L C 2.376 179.395 176.870 0.247 0.000 1.092 166 L CA 1.198 56.183 54.840 0.241 0.000 0.759 166 L CB -0.498 41.697 42.059 0.226 0.000 0.903 166 L HN 0.437 nan 8.230 nan 0.000 0.435 167 W N 0.735 122.079 121.300 0.074 0.000 2.388 167 W HA -0.141 4.519 4.660 -0.000 0.000 0.294 167 W C 2.147 178.697 176.519 0.051 0.000 1.212 167 W CA 1.072 58.480 57.345 0.105 0.000 1.271 167 W CB -0.097 29.512 29.460 0.248 0.000 1.126 167 W HN -0.049 nan 8.180 nan 0.000 0.535 168 L N 0.718 121.929 121.223 -0.021 0.000 2.127 168 L HA -0.235 4.105 4.340 -0.000 0.000 0.211 168 L C 2.418 179.317 176.870 0.048 0.000 1.089 168 L CA 1.595 56.378 54.840 -0.096 0.000 0.757 168 L CB -0.760 41.251 42.059 -0.081 0.000 0.899 168 L HN -0.010 nan 8.230 nan 0.000 0.434 169 K N -0.186 120.288 120.400 0.124 0.000 2.021 169 K HA -0.094 4.226 4.320 -0.000 0.000 0.205 169 K C 2.390 178.972 176.600 -0.031 0.000 1.047 169 K CA 1.593 57.926 56.287 0.076 0.000 0.943 169 K CB -0.220 32.339 32.500 0.097 0.000 0.725 169 K HN 0.306 nan 8.250 nan 0.000 0.439 170 S N 1.063 116.743 115.700 -0.035 0.000 2.383 170 S HA -0.171 4.299 4.470 -0.000 0.000 0.227 170 S C 1.851 176.357 174.600 -0.156 0.000 1.026 170 S CA 1.465 59.632 58.200 -0.055 0.000 0.981 170 S CB -0.134 63.081 63.200 0.024 0.000 0.818 170 S HN 0.242 nan 8.310 nan 0.000 0.472 171 D N 1.127 121.308 120.400 -0.364 0.000 2.290 171 D HA 0.093 4.733 4.640 -0.000 0.000 0.224 171 D C 1.981 178.023 176.300 -0.429 0.000 0.967 171 D CA 0.738 54.451 54.000 -0.478 0.000 0.893 171 D CB 0.006 40.203 40.800 -1.006 0.000 1.037 171 D HN 0.424 nan 8.370 nan 0.000 0.477 172 L N -0.462 120.457 121.223 -0.505 0.000 2.307 172 L HA 0.201 4.541 4.340 -0.000 0.000 0.211 172 L C 1.736 178.355 176.870 -0.418 0.000 1.099 172 L CA 0.871 55.451 54.840 -0.434 0.000 0.816 172 L CB 0.066 41.873 42.059 -0.419 0.000 0.952 172 L HN 0.304 nan 8.230 nan 0.000 0.455 173 G N -0.583 108.045 108.800 -0.287 0.000 2.148 173 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.203 173 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.203 173 G C 0.057 174.875 174.900 -0.138 0.000 0.993 173 G CA -0.644 44.348 45.100 -0.179 0.000 0.661 173 G HN 0.059 nan 8.290 nan 0.000 0.518 174 F N 1.594 121.492 119.950 -0.086 0.000 2.563 174 F HA 0.326 4.853 4.527 -0.000 0.000 0.363 174 F C 1.492 177.193 175.800 -0.164 0.000 1.123 174 F CA 0.534 58.484 58.000 -0.083 0.000 1.307 174 F CB 0.682 39.678 39.000 -0.007 0.000 1.115 174 F HN 0.055 nan 8.300 nan 0.000 0.592 175 D N 1.121 121.554 120.400 0.054 0.000 2.431 175 D HA 0.276 4.916 4.640 -0.000 0.000 0.227 175 D C 0.392 176.469 176.300 -0.371 0.000 1.030 175 D CA 0.563 54.491 54.000 -0.120 0.000 0.897 175 D CB 0.576 41.372 40.800 -0.007 0.000 1.058 175 D HN 0.432 nan 8.370 nan 0.000 0.500 176 A N -0.028 122.548 122.820 -0.407 0.000 2.583 176 A HA 0.625 4.945 4.320 -0.000 0.000 0.289 176 A C -1.930 175.358 177.584 -0.494 0.000 1.151 176 A CA -0.831 50.855 52.037 -0.586 0.000 0.695 176 A CB 0.998 19.877 19.000 -0.201 0.000 1.290 176 A HN 0.105 nan 8.150 nan 0.000 0.419 177 W N -0.143 121.124 121.300 -0.055 0.000 2.799 177 W HA 0.769 5.429 4.660 -0.000 0.000 0.349 177 W C 0.306 176.734 176.519 -0.152 0.000 1.100 177 W CA -0.799 56.483 57.345 -0.105 0.000 1.174 177 W CB 1.383 30.800 29.460 -0.071 0.000 1.427 177 W HN 0.611 nan 8.180 nan 0.000 0.547 178 R N 2.788 123.351 120.500 0.105 0.000 2.435 178 R HA 0.389 4.729 4.340 -0.000 0.000 0.308 178 R C -1.560 174.767 176.300 0.045 0.000 0.975 178 R CA -0.548 55.482 56.100 -0.117 0.000 0.867 178 R CB 0.827 30.854 30.300 -0.456 0.000 1.171 178 R HN 0.745 nan 8.270 nan 0.000 0.470 179 L N 4.190 125.446 121.223 0.055 0.000 2.295 179 L HA 0.195 4.535 4.340 -0.000 0.000 0.288 179 L C 0.392 177.363 176.870 0.168 0.000 1.079 179 L CA -0.523 54.394 54.840 0.129 0.000 0.830 179 L CB 0.763 42.917 42.059 0.157 0.000 1.200 179 L HN 0.535 nan 8.230 nan 0.000 0.438 180 D N 3.449 124.001 120.400 0.255 0.000 2.389 180 D HA 0.001 4.641 4.640 -0.000 0.000 0.247 180 D C 0.387 176.904 176.300 0.361 0.000 1.128 180 D CA -0.092 54.120 54.000 0.354 0.000 0.884 180 D CB 0.436 41.500 40.800 0.439 0.000 1.194 180 D HN 0.311 nan 8.370 nan 0.000 0.441 181 F N 2.839 122.881 119.950 0.153 0.000 2.829 181 F HA -0.324 4.203 4.527 -0.000 0.000 0.237 181 F C 0.879 176.656 175.800 -0.040 0.000 1.017 181 F CA 0.478 58.533 58.000 0.093 0.000 0.882 181 F CB -1.294 37.799 39.000 0.155 0.000 0.795 181 F HN 0.485 nan 8.300 nan 0.000 0.848 182 A N 1.644 124.312 122.820 -0.253 0.000 2.172 182 A HA -0.109 4.211 4.320 -0.000 0.000 0.216 182 A C 2.175 179.351 177.584 -0.681 0.000 1.154 182 A CA 1.160 52.831 52.037 -0.610 0.000 0.701 182 A CB -0.239 18.478 19.000 -0.473 0.000 0.789 182 A HN 0.443 nan 8.150 nan 0.000 0.465 183 R N -0.332 119.794 120.500 -0.624 0.000 2.307 183 R HA -0.022 4.318 4.340 -0.000 0.000 0.199 183 R C 1.967 177.826 176.300 -0.735 0.000 1.000 183 R CA 0.743 56.533 56.100 -0.517 0.000 1.023 183 R CB -0.974 29.144 30.300 -0.303 0.000 0.908 183 R HN 0.514 nan 8.270 nan 0.000 0.473 184 G N -0.119 107.972 108.800 -1.181 0.000 2.534 184 G HA2 -0.133 3.827 3.960 -0.000 0.000 0.217 184 G HA3 -0.133 3.827 3.960 -0.000 0.000 0.217 184 G C 0.113 175.003 174.900 -0.017 0.000 1.128 184 G CA 0.583 45.260 45.100 -0.706 0.000 0.784 184 G HN 0.342 nan 8.290 nan 0.000 0.542 185 Y N -1.238 119.006 120.300 -0.093 0.000 2.625 185 Y HA 0.665 5.215 4.550 -0.000 0.000 0.338 185 Y C 0.054 175.987 175.900 0.054 0.000 1.123 185 Y CA -1.899 56.218 58.100 0.029 0.000 1.046 185 Y CB 0.418 38.904 38.460 0.044 0.000 1.299 185 Y HN 0.019 nan 8.280 nan 0.000 0.464 186 S N 0.978 116.797 115.700 0.199 0.000 2.584 186 S HA 0.204 4.674 4.470 -0.000 0.000 0.270 186 S C -1.874 172.776 174.600 0.082 0.000 1.346 186 S CA -0.731 57.531 58.200 0.103 0.000 1.018 186 S CB 0.950 64.190 63.200 0.066 0.000 0.899 186 S HN 0.696 nan 8.310 nan 0.000 0.542 187 P HA -0.051 nan 4.420 nan 0.000 0.223 187 P C 0.787 177.919 177.300 -0.281 0.000 1.151 187 P CA 1.005 63.832 63.100 -0.454 0.000 0.787 187 P CB 0.037 31.118 31.700 -1.032 0.000 0.788 188 E N -0.720 119.391 120.200 -0.148 0.000 2.110 188 E HA -0.097 4.253 4.350 -0.000 0.000 0.193 188 E C 2.142 178.703 176.600 -0.065 0.000 0.988 188 E CA 1.267 57.603 56.400 -0.106 0.000 0.804 188 E CB -0.636 29.024 29.700 -0.066 0.000 0.745 188 E HN 0.132 nan 8.360 nan 0.000 0.458 189 M N -0.340 119.272 119.600 0.020 0.000 2.236 189 M HA 0.078 4.558 4.480 -0.000 0.000 0.266 189 M C 2.244 178.585 176.300 0.068 0.000 1.070 189 M CA 1.150 56.465 55.300 0.025 0.000 1.137 189 M CB -0.923 31.755 32.600 0.130 0.000 1.378 189 M HN 0.161 nan 8.290 nan 0.000 0.426 190 A N 0.361 123.330 122.820 0.248 0.000 1.933 190 A HA -0.208 4.112 4.320 -0.000 0.000 0.218 190 A C 2.308 179.971 177.584 0.132 0.000 1.175 190 A CA 1.982 54.234 52.037 0.357 0.000 0.628 190 A CB -0.684 18.556 19.000 0.401 0.000 0.814 190 A HN 0.506 nan 8.150 nan 0.000 0.444 191 K N -0.144 120.235 120.400 -0.035 0.000 2.103 191 K HA -0.116 4.204 4.320 -0.000 0.000 0.207 191 K C 1.762 178.312 176.600 -0.084 0.000 1.048 191 K CA 1.612 57.854 56.287 -0.075 0.000 0.930 191 K CB -0.301 32.124 32.500 -0.125 0.000 0.716 191 K HN 0.236 nan 8.250 nan 0.000 0.444 192 V N 0.759 120.559 119.914 -0.191 0.000 2.287 192 V HA -0.267 3.853 4.120 -0.000 0.000 0.248 192 V C 1.989 177.887 176.094 -0.326 0.000 1.053 192 V CA 1.831 63.931 62.300 -0.333 0.000 1.027 192 V CB -0.642 30.827 31.823 -0.590 0.000 0.646 192 V HN 0.319 nan 8.190 nan 0.000 0.447 193 Y N -0.719 119.588 120.300 0.013 0.000 2.286 193 Y HA 0.030 4.580 4.550 -0.000 0.000 0.293 193 Y C 2.211 178.173 175.900 0.104 0.000 1.124 193 Y CA 0.811 58.927 58.100 0.026 0.000 1.178 193 Y CB -0.511 37.922 38.460 -0.045 0.000 1.010 193 Y HN 0.159 nan 8.280 nan 0.000 0.536 194 I N -0.070 120.644 120.570 0.239 0.000 2.163 194 I HA -0.265 3.905 4.170 -0.000 0.000 0.240 194 I C 1.655 177.870 176.117 0.164 0.000 1.081 194 I CA 1.550 62.997 61.300 0.245 0.000 1.353 194 I CB -0.318 37.789 38.000 0.178 0.000 1.054 194 I HN 0.109 nan 8.210 nan 0.000 0.407 195 D N 0.931 121.381 120.400 0.084 0.000 2.219 195 D HA -0.102 4.538 4.640 -0.000 0.000 0.205 195 D C 2.109 178.450 176.300 0.068 0.000 0.970 195 D CA 1.276 55.307 54.000 0.052 0.000 0.851 195 D CB -0.413 40.392 40.800 0.008 0.000 0.943 195 D HN 0.386 nan 8.370 nan 0.000 0.488 196 G N -0.149 108.700 108.800 0.082 0.000 2.650 196 G HA2 -0.106 3.854 3.960 -0.000 0.000 0.214 196 G HA3 -0.106 3.854 3.960 -0.000 0.000 0.214 196 G C 1.342 176.336 174.900 0.157 0.000 1.136 196 G CA 1.282 46.441 45.100 0.097 0.000 0.789 196 G HN 0.408 nan 8.290 nan 0.000 0.536 197 T N -4.015 110.666 114.554 0.213 0.000 3.058 197 T HA 0.255 4.605 4.350 -0.000 0.000 0.278 197 T C 1.006 175.815 174.700 0.181 0.000 0.974 197 T CA 0.681 62.943 62.100 0.270 0.000 0.893 197 T CB 0.117 69.296 68.868 0.519 0.000 1.138 197 T HN 0.078 nan 8.240 nan 0.000 0.529 198 S N 3.324 119.099 115.700 0.125 0.000 3.336 198 S HA -0.084 4.386 4.470 -0.000 0.000 0.362 198 S C -2.027 172.563 174.600 -0.017 0.000 0.941 198 S CA 0.519 58.750 58.200 0.051 0.000 1.297 198 S CB -1.241 61.979 63.200 0.034 0.000 0.915 198 S HN 0.697 nan 8.310 nan 0.000 0.527 199 P HA 0.285 nan 4.420 nan 0.000 0.276 199 P C 1.026 178.221 177.300 -0.175 0.000 1.244 199 P CA -0.390 62.544 63.100 -0.278 0.000 0.801 199 P CB 0.952 32.305 31.700 -0.578 0.000 1.006 200 S N 1.422 117.015 115.700 -0.179 0.000 2.399 200 S HA -0.057 4.413 4.470 -0.000 0.000 0.231 200 S C 0.905 175.449 174.600 -0.094 0.000 1.022 200 S CA 0.948 59.095 58.200 -0.088 0.000 0.983 200 S CB -1.027 62.159 63.200 -0.023 0.000 0.803 200 S HN 0.557 nan 8.310 nan 0.000 0.480 201 L N -3.600 117.536 121.223 -0.144 0.000 2.710 201 L HA 0.885 5.225 4.340 -0.000 0.000 0.260 201 L C -1.270 175.518 176.870 -0.136 0.000 0.993 201 L CA -0.915 53.840 54.840 -0.141 0.000 0.877 201 L CB 1.299 43.242 42.059 -0.193 0.000 1.461 201 L HN 0.056 nan 8.230 nan 0.000 0.413 202 A N 1.467 124.241 122.820 -0.077 0.000 2.651 202 A HA 0.668 4.988 4.320 -0.000 0.000 0.290 202 A C -1.109 176.431 177.584 -0.074 0.000 1.185 202 A CA -0.361 51.687 52.037 0.018 0.000 0.746 202 A CB 1.203 20.315 19.000 0.187 0.000 1.213 202 A HN 1.375 nan 8.150 nan 0.000 0.429 203 V N 3.179 122.952 119.914 -0.236 0.000 2.406 203 V HA 0.687 4.807 4.120 -0.000 0.000 0.272 203 V C 0.465 176.280 176.094 -0.464 0.000 1.043 203 V CA 0.263 62.269 62.300 -0.489 0.000 0.915 203 V CB 0.865 32.170 31.823 -0.862 0.000 0.988 203 V HN 1.287 nan 8.190 nan 0.000 0.466 204 A N 5.222 127.780 122.820 -0.437 0.000 2.306 204 A HA 0.555 4.875 4.320 -0.000 0.000 0.314 204 A C 0.095 177.529 177.584 -0.250 0.000 1.164 204 A CA -0.626 51.189 52.037 -0.370 0.000 0.822 204 A CB 0.776 19.367 19.000 -0.682 0.000 1.130 204 A HN 0.908 nan 8.150 nan 0.000 0.496 205 E N 2.418 122.626 120.200 0.013 0.000 1.941 205 E HA 0.390 4.740 4.350 -0.000 0.000 0.275 205 E C -1.370 175.253 176.600 0.039 0.000 1.113 205 E CA -0.180 56.384 56.400 0.273 0.000 0.878 205 E CB 0.327 30.238 29.700 0.351 0.000 1.070 205 E HN 0.325 nan 8.360 nan 0.000 0.399 206 V N 6.386 126.271 119.914 -0.048 0.000 2.275 206 V HA 0.168 4.288 4.120 -0.000 0.000 0.272 206 V C -0.713 175.352 176.094 -0.048 0.000 1.028 206 V CA -0.815 61.361 62.300 -0.206 0.000 0.810 206 V CB 0.213 31.736 31.823 -0.500 0.000 1.043 206 V HN 0.609 nan 8.190 nan 0.000 0.453 207 W N 5.189 126.286 121.300 -0.339 0.000 2.296 207 W HA 0.565 5.225 4.660 -0.000 0.000 0.316 207 W C -0.616 175.706 176.519 -0.328 0.000 1.022 207 W CA -1.165 55.811 57.345 -0.614 0.000 1.324 207 W CB 1.067 30.009 29.460 -0.864 0.000 1.227 207 W HN 0.485 nan 8.180 nan 0.000 0.409 208 D N 3.079 123.540 120.400 0.101 0.000 2.228 208 D HA 0.098 4.738 4.640 -0.000 0.000 0.247 208 D C -0.170 176.203 176.300 0.121 0.000 0.995 208 D CA -0.602 53.393 54.000 -0.007 0.000 0.903 208 D CB 1.445 42.170 40.800 -0.124 0.000 1.205 208 D HN 0.367 nan 8.370 nan 0.000 0.459 209 N N 0.892 119.579 118.700 -0.022 0.000 2.454 209 N HA 0.045 4.785 4.740 -0.000 0.000 0.254 209 N C -0.491 175.109 175.510 0.150 0.000 1.228 209 N CA -0.100 52.924 53.050 -0.043 0.000 0.900 209 N CB 0.657 39.079 38.487 -0.108 0.000 1.089 209 N HN 0.295 nan 8.380 nan 0.000 0.449 210 M N 3.537 123.181 119.600 0.075 0.000 2.180 210 M HA 0.358 4.838 4.480 -0.000 0.000 0.350 210 M C -0.472 175.856 176.300 0.046 0.000 1.125 210 M CA -0.621 54.734 55.300 0.093 0.000 1.031 210 M CB 1.088 33.706 32.600 0.030 0.000 1.623 210 M HN 0.584 nan 8.290 nan 0.000 0.451 211 A N 3.702 126.563 122.820 0.069 0.000 2.511 211 A HA 0.475 4.795 4.320 -0.000 0.000 0.242 211 A C 0.200 177.809 177.584 0.042 0.000 1.069 211 A CA 0.266 52.331 52.037 0.047 0.000 0.763 211 A CB -0.200 18.836 19.000 0.061 0.000 1.001 211 A HN 0.882 nan 8.150 nan 0.000 0.498 212 T N -0.027 114.546 114.554 0.032 0.000 2.858 212 T HA 0.793 5.143 4.350 -0.000 0.000 0.285 212 T C 0.368 175.091 174.700 0.039 0.000 1.052 212 T CA -0.145 61.978 62.100 0.039 0.000 1.009 212 T CB 1.444 70.330 68.868 0.029 0.000 1.241 212 T HN 1.224 nan 8.240 nan 0.000 0.542 213 G N -0.984 107.842 108.800 0.045 0.000 2.557 213 G HA2 0.509 4.469 3.960 -0.000 0.000 0.302 213 G HA3 0.509 4.469 3.960 -0.000 0.000 0.302 213 G C 1.081 175.999 174.900 0.030 0.000 1.311 213 G CA -0.439 44.687 45.100 0.043 0.000 1.030 213 G HN 1.077 nan 8.290 nan 0.000 0.509 214 G N -0.302 108.514 108.800 0.027 0.000 2.448 214 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.219 214 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.219 214 G C 1.098 176.009 174.900 0.018 0.000 1.127 214 G CA 1.557 46.668 45.100 0.019 0.000 0.766 214 G HN 0.649 nan 8.290 nan 0.000 0.552 215 D N -1.036 119.379 120.400 0.025 0.000 2.349 215 D HA 0.242 4.882 4.640 -0.000 0.000 0.224 215 D C 1.764 178.077 176.300 0.023 0.000 1.029 215 D CA 0.675 54.690 54.000 0.024 0.000 0.879 215 D CB -0.445 40.373 40.800 0.031 0.000 0.906 215 D HN 0.441 nan 8.370 nan 0.000 0.528 216 G N -0.065 108.749 108.800 0.023 0.000 2.199 216 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.254 216 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.254 216 G C 0.199 175.122 174.900 0.039 0.000 0.982 216 G CA 0.123 45.237 45.100 0.024 0.000 0.632 216 G HN 0.456 nan 8.290 nan 0.000 0.529 217 K N 2.150 122.574 120.400 0.039 0.000 2.270 217 K HA 0.397 4.717 4.320 -0.000 0.000 0.276 217 K C -2.019 174.612 176.600 0.051 0.000 1.023 217 K CA -1.368 54.942 56.287 0.039 0.000 0.955 217 K CB 1.141 33.663 32.500 0.037 0.000 0.975 217 K HN 0.159 nan 8.250 nan 0.000 0.471 218 P HA -0.039 nan 4.420 nan 0.000 0.269 218 P C -0.878 176.458 177.300 0.060 0.000 1.215 218 P CA -0.244 62.886 63.100 0.051 0.000 0.780 218 P CB 0.503 32.225 31.700 0.038 0.000 0.898 219 N N 0.864 119.604 118.700 0.067 0.000 2.508 219 N HA -0.039 4.701 4.740 -0.000 0.000 0.264 219 N C 1.029 176.612 175.510 0.123 0.000 1.216 219 N CA -0.150 52.967 53.050 0.110 0.000 0.943 219 N CB -0.204 38.340 38.487 0.095 0.000 1.113 219 N HN 0.509 nan 8.380 nan 0.000 0.447 220 Y N 0.983 121.345 120.300 0.103 0.000 2.145 220 Y HA -0.163 4.387 4.550 -0.000 0.000 0.286 220 Y C 0.584 176.524 175.900 0.067 0.000 1.145 220 Y CA 1.314 59.489 58.100 0.126 0.000 1.148 220 Y CB 0.020 38.621 38.460 0.236 0.000 0.981 220 Y HN 0.465 nan 8.280 nan 0.000 0.507 221 D N 1.088 121.483 120.400 -0.007 0.000 2.352 221 D HA 0.038 4.678 4.640 -0.000 0.000 0.245 221 D C -0.321 175.933 176.300 -0.077 0.000 1.224 221 D CA 0.115 54.053 54.000 -0.103 0.000 0.879 221 D CB 0.643 41.493 40.800 0.084 0.000 1.057 221 D HN 0.393 nan 8.370 nan 0.000 0.491 222 Q N 2.693 122.398 119.800 -0.159 0.000 2.186 222 Q HA 0.070 4.410 4.340 -0.000 0.000 0.241 222 Q C 0.265 176.225 176.000 -0.065 0.000 0.849 222 Q CA -0.253 55.500 55.803 -0.083 0.000 1.053 222 Q CB 0.836 29.492 28.738 -0.137 0.000 1.146 222 Q HN 0.484 nan 8.270 nan 0.000 0.475 223 D N 1.125 121.486 120.400 -0.064 0.000 2.149 223 D HA -0.138 4.502 4.640 -0.000 0.000 0.198 223 D C 1.687 178.074 176.300 0.145 0.000 0.990 223 D CA 1.428 55.415 54.000 -0.021 0.000 0.839 223 D CB 0.204 41.114 40.800 0.182 0.000 0.948 223 D HN 0.319 nan 8.370 nan 0.000 0.460 224 A N 0.189 123.098 122.820 0.149 0.000 1.933 224 A HA -0.232 4.088 4.320 -0.000 0.000 0.218 224 A C 2.097 179.780 177.584 0.165 0.000 1.175 224 A CA 1.549 53.683 52.037 0.163 0.000 0.628 224 A CB -0.741 18.336 19.000 0.129 0.000 0.814 224 A HN 0.350 nan 8.150 nan 0.000 0.444 225 H N 0.819 119.932 119.070 0.071 0.000 2.326 225 H HA -0.108 4.448 4.556 -0.000 0.000 0.301 225 H C 2.326 177.712 175.328 0.097 0.000 1.081 225 H CA 1.917 58.015 56.048 0.082 0.000 1.334 225 H CB -0.022 29.782 29.762 0.072 0.000 1.385 225 H HN 0.656 nan 8.280 nan 0.000 0.504 226 R N 0.341 120.952 120.500 0.185 0.000 2.148 226 R HA -0.084 4.256 4.340 -0.000 0.000 0.223 226 R C 2.224 178.689 176.300 0.275 0.000 1.088 226 R CA 1.231 57.418 56.100 0.145 0.000 0.985 226 R CB -0.310 29.927 30.300 -0.104 0.000 0.880 226 R HN 0.189 nan 8.270 nan 0.000 0.451 227 Q N 1.826 121.835 119.800 0.347 0.000 2.124 227 Q HA -0.093 4.247 4.340 -0.000 0.000 0.202 227 Q C 1.339 177.496 176.000 0.262 0.000 0.977 227 Q CA 1.960 58.018 55.803 0.425 0.000 0.850 227 Q CB -0.270 28.695 28.738 0.378 0.000 0.901 227 Q HN 0.582 nan 8.270 nan 0.000 0.429 228 N N -0.852 117.948 118.700 0.167 0.000 2.104 228 N HA -0.139 4.601 4.740 -0.000 0.000 0.190 228 N C 1.562 177.171 175.510 0.165 0.000 1.024 228 N CA 1.241 54.361 53.050 0.115 0.000 0.853 228 N CB -0.094 38.393 38.487 -0.000 0.000 1.008 228 N HN 0.251 nan 8.380 nan 0.000 0.424 229 L N 0.402 121.722 121.223 0.162 0.000 2.093 229 L HA -0.098 4.242 4.340 -0.000 0.000 0.208 229 L C 2.229 179.280 176.870 0.300 0.000 1.085 229 L CA 0.640 55.599 54.840 0.197 0.000 0.755 229 L CB -0.325 41.833 42.059 0.166 0.000 0.904 229 L HN 0.048 nan 8.230 nan 0.000 0.435 230 V N 0.278 120.408 119.914 0.359 0.000 2.427 230 V HA -0.275 3.845 4.120 -0.000 0.000 0.248 230 V C 2.009 178.344 176.094 0.401 0.000 1.051 230 V CA 2.026 64.610 62.300 0.474 0.000 1.048 230 V CB -0.755 31.374 31.823 0.510 0.000 0.666 230 V HN 0.517 nan 8.190 nan 0.000 0.456 231 N N -1.307 117.572 118.700 0.299 0.000 2.120 231 N HA -0.259 4.481 4.740 -0.000 0.000 0.188 231 N C 1.691 177.328 175.510 0.213 0.000 1.024 231 N CA 1.613 54.794 53.050 0.219 0.000 0.852 231 N CB -0.245 38.343 38.487 0.169 0.000 1.003 231 N HN 0.641 nan 8.380 nan 0.000 0.424 232 W N 1.710 123.053 121.300 0.072 0.000 2.358 232 W HA -0.146 4.514 4.660 -0.000 0.000 0.303 232 W C 1.893 178.422 176.519 0.018 0.000 1.208 232 W CA 0.943 58.304 57.345 0.027 0.000 1.274 232 W CB -0.341 29.120 29.460 0.001 0.000 1.138 232 W HN -0.228 nan 8.180 nan 0.000 0.515 233 V N 0.822 120.935 119.914 0.331 0.000 2.407 233 V HA -0.309 3.811 4.120 -0.000 0.000 0.248 233 V C 2.027 178.128 176.094 0.012 0.000 1.055 233 V CA 2.295 64.647 62.300 0.086 0.000 1.049 233 V CB -0.945 30.789 31.823 -0.147 0.000 0.662 233 V HN 0.107 nan 8.190 nan 0.000 0.455 234 D N 0.208 120.722 120.400 0.189 0.000 2.097 234 D HA -0.154 4.486 4.640 -0.000 0.000 0.195 234 D C 2.253 178.554 176.300 0.001 0.000 0.989 234 D CA 1.248 55.358 54.000 0.182 0.000 0.827 234 D CB -0.179 40.731 40.800 0.183 0.000 0.966 234 D HN 0.408 nan 8.370 nan 0.000 0.456 235 K N 0.299 120.643 120.400 -0.093 0.000 2.283 235 K HA -0.044 4.276 4.320 -0.000 0.000 0.202 235 K C 1.882 178.306 176.600 -0.293 0.000 1.048 235 K CA 0.183 56.359 56.287 -0.184 0.000 0.948 235 K CB 0.116 32.487 32.500 -0.215 0.000 0.742 235 K HN -0.016 nan 8.250 nan 0.000 0.458 236 V N -0.418 119.237 119.914 -0.432 0.000 3.306 236 V HA 0.049 4.169 4.120 -0.000 0.000 0.264 236 V C 1.010 176.974 176.094 -0.216 0.000 1.149 236 V CA 1.622 63.650 62.300 -0.453 0.000 1.143 236 V CB 0.546 31.914 31.823 -0.759 0.000 0.767 236 V HN 0.587 nan 8.190 nan 0.000 0.476 237 G N -2.318 106.403 108.800 -0.131 0.000 2.613 237 G HA2 0.176 4.136 3.960 -0.000 0.000 0.199 237 G HA3 0.176 4.136 3.960 -0.000 0.000 0.199 237 G C 1.028 175.937 174.900 0.017 0.000 0.991 237 G CA 0.311 45.380 45.100 -0.051 0.000 0.756 237 G HN 1.544 nan 8.290 nan 0.000 0.515 238 G N 0.424 109.251 108.800 0.046 0.000 2.566 238 G HA2 0.131 4.091 3.960 -0.000 0.000 0.280 238 G HA3 0.131 4.091 3.960 -0.000 0.000 0.280 238 G C 1.510 176.506 174.900 0.160 0.000 1.225 238 G CA 2.184 47.413 45.100 0.216 0.000 0.966 238 G HN 1.816 nan 8.290 nan 0.000 0.560 239 A N -0.684 122.332 122.820 0.326 0.000 2.024 239 A HA 0.289 4.609 4.320 -0.000 0.000 0.220 239 A C 2.919 180.566 177.584 0.104 0.000 1.164 239 A CA 3.339 55.523 52.037 0.245 0.000 0.643 239 A CB -0.864 18.302 19.000 0.277 0.000 0.806 239 A HN 2.284 nan 8.150 nan 0.000 0.451 240 A N -0.837 122.031 122.820 0.079 0.000 2.066 240 A HA 0.205 4.525 4.320 -0.000 0.000 0.218 240 A C 1.625 179.219 177.584 0.017 0.000 1.157 240 A CA 1.049 53.111 52.037 0.041 0.000 0.670 240 A CB -0.488 18.532 19.000 0.033 0.000 0.804 240 A HN 0.514 nan 8.150 nan 0.000 0.453 241 S N -1.179 114.524 115.700 0.005 0.000 2.601 241 S HA 0.489 4.959 4.470 -0.000 0.000 0.271 241 S C 1.034 175.618 174.600 -0.026 0.000 1.305 241 S CA -0.024 58.167 58.200 -0.016 0.000 1.022 241 S CB 1.291 64.467 63.200 -0.041 0.000 0.940 241 S HN 0.722 nan 8.310 nan 0.000 0.525 242 A N 3.426 126.237 122.820 -0.015 0.000 2.238 242 A HA 0.369 4.689 4.320 -0.000 0.000 0.208 242 A C 1.133 178.697 177.584 -0.032 0.000 1.177 242 A CA 0.370 52.390 52.037 -0.029 0.000 0.804 242 A CB -0.938 18.050 19.000 -0.021 0.000 0.823 242 A HN 0.958 nan 8.150 nan 0.000 0.482 243 G N 0.273 109.070 108.800 -0.005 0.000 2.483 243 G HA2 0.485 4.445 3.960 -0.000 0.000 0.248 243 G HA3 0.485 4.445 3.960 -0.000 0.000 0.248 243 G C -0.173 174.719 174.900 -0.013 0.000 1.248 243 G CA 0.192 45.325 45.100 0.055 0.000 0.838 243 G HN 0.622 nan 8.290 nan 0.000 0.566 244 M N 0.252 119.845 119.600 -0.011 0.000 2.924 244 M HA 0.765 5.245 4.480 -0.000 0.000 0.271 244 M C -0.982 175.196 176.300 -0.203 0.000 1.280 244 M CA -1.161 54.051 55.300 -0.146 0.000 0.813 244 M CB 2.049 34.505 32.600 -0.240 0.000 1.658 244 M HN 0.697 nan 8.290 nan 0.000 0.467 245 V N -1.686 118.072 119.914 -0.260 0.000 3.007 245 V HA 0.683 4.803 4.120 -0.000 0.000 0.311 245 V C -1.139 174.787 176.094 -0.280 0.000 1.120 245 V CA -0.778 61.334 62.300 -0.314 0.000 0.980 245 V CB 1.924 33.637 31.823 -0.183 0.000 1.033 245 V HN 0.781 nan 8.190 nan 0.000 0.429 246 F N 1.398 121.258 119.950 -0.150 0.000 2.484 246 F HA 0.349 4.876 4.527 -0.000 0.000 0.360 246 F C 1.048 176.827 175.800 -0.034 0.000 1.101 246 F CA 0.074 57.962 58.000 -0.188 0.000 1.251 246 F CB 0.509 39.216 39.000 -0.489 0.000 1.132 246 F HN 0.697 nan 8.300 nan 0.000 0.570 247 D N 3.708 124.232 120.400 0.207 0.000 2.551 247 D HA 0.026 4.666 4.640 -0.000 0.000 0.223 247 D C 0.955 177.299 176.300 0.074 0.000 1.144 247 D CA 0.199 54.278 54.000 0.132 0.000 1.025 247 D CB -0.467 40.362 40.800 0.048 0.000 1.085 247 D HN 0.339 nan 8.370 nan 0.000 0.506 248 F N 0.318 120.392 119.950 0.206 0.000 2.365 248 F HA -0.126 4.401 4.527 -0.000 0.000 0.300 248 F C 2.424 178.249 175.800 0.040 0.000 1.090 248 F CA 0.828 58.910 58.000 0.136 0.000 1.408 248 F CB -0.091 39.040 39.000 0.217 0.000 1.060 248 F HN 0.213 nan 8.300 nan 0.000 0.534 249 T N -1.530 113.172 114.554 0.246 0.000 2.737 249 T HA -0.165 4.185 4.350 -0.000 0.000 0.265 249 T C 2.065 176.677 174.700 -0.147 0.000 1.038 249 T CA 1.953 64.067 62.100 0.024 0.000 1.144 249 T CB -0.624 68.314 68.868 0.116 0.000 0.866 249 T HN 0.183 nan 8.240 nan 0.000 0.434 250 T N 1.670 116.132 114.554 -0.154 0.000 2.788 250 T HA -0.090 4.260 4.350 -0.000 0.000 0.268 250 T C 2.033 176.492 174.700 -0.402 0.000 1.044 250 T CA 1.402 63.359 62.100 -0.239 0.000 1.139 250 T CB -0.208 68.566 68.868 -0.156 0.000 0.867 250 T HN 0.282 nan 8.240 nan 0.000 0.454 251 K N 1.519 121.598 120.400 -0.534 0.000 2.002 251 K HA -0.017 4.303 4.320 -0.000 0.000 0.209 251 K C 2.361 178.479 176.600 -0.803 0.000 1.048 251 K CA 1.962 57.770 56.287 -0.798 0.000 0.930 251 K CB -1.115 30.718 32.500 -1.111 0.000 0.714 251 K HN 0.276 nan 8.250 nan 0.000 0.438 252 G N 0.709 109.087 108.800 -0.703 0.000 2.418 252 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.217 252 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.217 252 G C 1.656 176.303 174.900 -0.422 0.000 1.158 252 G CA 1.083 45.783 45.100 -0.666 0.000 0.771 252 G HN 0.344 nan 8.290 nan 0.000 0.545 253 I N -0.163 120.189 120.570 -0.364 0.000 2.202 253 I HA -0.082 4.088 4.170 -0.000 0.000 0.242 253 I C 2.558 178.417 176.117 -0.431 0.000 1.091 253 I CA 0.483 61.577 61.300 -0.344 0.000 1.368 253 I CB -0.240 37.569 38.000 -0.318 0.000 1.058 253 I HN 0.125 nan 8.210 nan 0.000 0.410 254 L N 1.249 122.183 121.223 -0.482 0.000 2.079 254 L HA -0.218 4.122 4.340 -0.000 0.000 0.210 254 L C 2.093 178.631 176.870 -0.553 0.000 1.081 254 L CA 1.823 56.358 54.840 -0.507 0.000 0.752 254 L CB -0.955 40.836 42.059 -0.447 0.000 0.896 254 L HN 0.192 nan 8.230 nan 0.000 0.433 255 N N -0.233 118.091 118.700 -0.626 0.000 2.094 255 N HA -0.177 4.563 4.740 -0.000 0.000 0.191 255 N C 1.730 176.863 175.510 -0.628 0.000 1.023 255 N CA 1.767 54.335 53.050 -0.803 0.000 0.857 255 N CB -0.327 37.702 38.487 -0.764 0.000 1.013 255 N HN 0.537 nan 8.380 nan 0.000 0.426 256 A N 0.012 122.556 122.820 -0.459 0.000 1.943 256 A HA 0.322 4.642 4.320 -0.000 0.000 0.213 256 A C 2.257 179.603 177.584 -0.397 0.000 1.181 256 A CA 1.224 53.050 52.037 -0.352 0.000 0.653 256 A CB -0.730 18.119 19.000 -0.252 0.000 0.833 256 A HN 0.271 nan 8.150 nan 0.000 0.451 257 A N 0.397 122.944 122.820 -0.454 0.000 1.917 257 A HA -0.116 4.204 4.320 -0.000 0.000 0.219 257 A C 2.218 179.560 177.584 -0.404 0.000 1.182 257 A CA 2.326 54.073 52.037 -0.483 0.000 0.633 257 A CB -1.369 17.327 19.000 -0.507 0.000 0.819 257 A HN 1.178 nan 8.150 nan 0.000 0.448 258 V N -2.573 117.106 119.914 -0.392 0.000 3.078 258 V HA -0.036 4.084 4.120 -0.000 0.000 0.265 258 V C 0.578 176.538 176.094 -0.224 0.000 1.122 258 V CA 1.414 63.543 62.300 -0.285 0.000 1.141 258 V CB -0.726 30.922 31.823 -0.291 0.000 0.735 258 V HN 0.412 nan 8.190 nan 0.000 0.498 259 E N 1.801 121.851 120.200 -0.250 0.000 2.452 259 E HA 0.339 4.689 4.350 -0.000 0.000 0.293 259 E C 1.474 177.999 176.600 -0.125 0.000 1.535 259 E CA 0.476 56.775 56.400 -0.169 0.000 1.816 259 E CB -0.225 29.374 29.700 -0.168 0.000 1.494 259 E HN 0.829 nan 8.360 nan 0.000 0.464 260 G N 1.773 110.509 108.800 -0.105 0.000 2.153 260 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.252 260 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.252 260 G C 0.251 175.105 174.900 -0.078 0.000 0.994 260 G CA 0.168 45.238 45.100 -0.049 0.000 0.698 260 G HN 0.427 nan 8.290 nan 0.000 0.521 261 E N -0.458 119.571 120.200 -0.285 0.000 4.044 261 E HA 0.351 4.701 4.350 -0.000 0.000 0.216 261 E C 1.573 177.635 176.600 -0.897 0.000 1.104 261 E CA -0.500 55.458 56.400 -0.737 0.000 1.383 261 E CB 0.270 29.453 29.700 -0.862 0.000 1.195 261 E HN 0.374 nan 8.360 nan 0.000 0.442 262 L N 1.027 122.004 121.223 -0.410 0.000 2.549 262 L HA -0.067 4.273 4.340 -0.000 0.000 0.229 262 L C 2.034 178.860 176.870 -0.072 0.000 1.158 262 L CA 0.690 55.390 54.840 -0.232 0.000 0.842 262 L CB -0.454 41.597 42.059 -0.015 0.000 0.952 262 L HN 0.567 nan 8.230 nan 0.000 0.452 263 W N -0.297 121.072 121.300 0.115 0.000 2.721 263 W HA -0.062 4.598 4.660 -0.000 0.000 0.245 263 W C 1.613 178.254 176.519 0.203 0.000 1.276 263 W CA -0.167 57.292 57.345 0.189 0.000 1.342 263 W CB -0.857 28.676 29.460 0.121 0.000 1.135 263 W HN 0.166 nan 8.180 nan 0.000 0.654 264 R N 0.948 121.375 120.500 -0.122 0.000 2.236 264 R HA 0.067 4.407 4.340 -0.000 0.000 0.208 264 R C 1.775 178.073 176.300 -0.004 0.000 1.036 264 R CA 0.475 56.579 56.100 0.007 0.000 1.001 264 R CB -0.310 29.754 30.300 -0.393 0.000 0.896 264 R HN 0.230 nan 8.270 nan 0.000 0.464 265 L N 1.186 122.374 121.223 -0.059 0.000 2.718 265 L HA 0.236 4.576 4.340 -0.000 0.000 0.242 265 L C 0.213 177.138 176.870 0.092 0.000 1.203 265 L CA 0.228 54.998 54.840 -0.117 0.000 1.011 265 L CB -0.137 41.644 42.059 -0.464 0.000 1.250 265 L HN 0.152 nan 8.230 nan 0.000 0.437 266 I N -0.371 120.264 120.570 0.109 0.000 2.743 266 I HA 0.179 4.349 4.170 -0.000 0.000 0.292 266 I C -1.352 174.823 176.117 0.097 0.000 1.343 266 I CA -0.797 60.543 61.300 0.066 0.000 1.038 266 I CB 2.196 40.130 38.000 -0.110 0.000 1.311 266 I HN 0.006 nan 8.210 nan 0.000 0.426 267 D N 6.854 127.282 120.400 0.046 0.000 2.432 267 D HA 0.443 5.083 4.640 -0.000 0.000 0.258 267 D C -2.269 174.127 176.300 0.160 0.000 1.146 267 D CA -1.922 52.124 54.000 0.076 0.000 1.015 267 D CB 0.354 41.147 40.800 -0.012 0.000 1.107 267 D HN 0.198 nan 8.370 nan 0.000 0.529 268 P HA -0.102 nan 4.420 nan 0.000 0.223 268 P C 0.859 178.230 177.300 0.119 0.000 1.144 268 P CA 1.076 64.277 63.100 0.168 0.000 0.783 268 P CB 0.121 31.929 31.700 0.179 0.000 0.771 269 Q N -1.807 118.067 119.800 0.123 0.000 2.403 269 Q HA 0.198 4.538 4.340 -0.000 0.000 0.203 269 Q C 1.449 177.503 176.000 0.089 0.000 0.932 269 Q CA 0.835 56.703 55.803 0.110 0.000 0.945 269 Q CB -0.324 28.500 28.738 0.143 0.000 1.045 269 Q HN 0.266 nan 8.270 nan 0.000 0.511 270 G N 1.172 110.016 108.800 0.073 0.000 2.141 270 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.242 270 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.242 270 G C 0.038 174.977 174.900 0.065 0.000 0.982 270 G CA 0.266 45.395 45.100 0.048 0.000 0.662 270 G HN 0.294 nan 8.290 nan 0.000 0.527 271 K N 0.038 120.489 120.400 0.086 0.000 2.211 271 K HA 0.795 5.115 4.320 -0.000 0.000 0.237 271 K C 0.726 177.375 176.600 0.081 0.000 1.002 271 K CA -0.339 56.009 56.287 0.101 0.000 0.885 271 K CB 1.411 34.000 32.500 0.148 0.000 1.136 271 K HN 0.549 nan 8.250 nan 0.000 0.448 272 A N 2.150 125.027 122.820 0.095 0.000 2.498 272 A HA 0.109 4.428 4.320 -0.000 0.000 0.239 272 A C -1.530 176.027 177.584 -0.046 0.000 1.068 272 A CA -0.792 51.297 52.037 0.086 0.000 0.766 272 A CB -0.268 18.806 19.000 0.124 0.000 1.003 272 A HN 0.555 nan 8.150 nan 0.000 0.497 273 P HA 0.026 nan 4.420 nan 0.000 0.231 273 P C 0.894 178.010 177.300 -0.306 0.000 1.168 273 P CA 1.247 64.200 63.100 -0.245 0.000 0.779 273 P CB 0.199 31.744 31.700 -0.259 0.000 0.844 274 G N 0.007 108.686 108.800 -0.202 0.000 2.531 274 G HA2 0.252 4.212 3.960 -0.000 0.000 0.281 274 G HA3 0.252 4.212 3.960 -0.000 0.000 0.281 274 G C 1.119 175.928 174.900 -0.152 0.000 1.382 274 G CA -0.360 44.639 45.100 -0.168 0.000 1.045 274 G HN -0.144 nan 8.290 nan 0.000 0.533 275 V N 0.638 120.536 119.914 -0.026 0.000 2.568 275 V HA -0.233 3.887 4.120 -0.000 0.000 0.253 275 V C 2.769 178.938 176.094 0.126 0.000 1.072 275 V CA 2.233 64.584 62.300 0.085 0.000 1.084 275 V CB -0.756 31.152 31.823 0.142 0.000 0.676 275 V HN 0.683 nan 8.190 nan 0.000 0.469 276 M N 0.922 120.564 119.600 0.070 0.000 2.143 276 M HA -0.191 4.289 4.480 -0.000 0.000 0.258 276 M C 1.836 178.210 176.300 0.123 0.000 1.071 276 M CA 2.439 57.793 55.300 0.090 0.000 1.088 276 M CB -0.492 32.143 32.600 0.058 0.000 1.360 276 M HN 0.414 nan 8.290 nan 0.000 0.404 277 G N -1.636 107.212 108.800 0.080 0.000 2.712 277 G HA2 -0.135 3.825 3.960 -0.000 0.000 0.212 277 G HA3 -0.135 3.825 3.960 -0.000 0.000 0.212 277 G C 0.672 175.777 174.900 0.341 0.000 1.142 277 G CA 0.037 45.213 45.100 0.127 0.000 0.789 277 G HN 0.544 nan 8.290 nan 0.000 0.535 278 W N -2.141 119.227 121.300 0.114 0.000 2.952 278 W HA 0.468 5.128 4.660 -0.000 0.000 0.251 278 W C 0.071 176.687 176.519 0.160 0.000 1.144 278 W CA -0.979 56.430 57.345 0.106 0.000 1.551 278 W CB 0.178 29.706 29.460 0.114 0.000 0.978 278 W HN 0.104 nan 8.180 nan 0.000 0.648 279 W N 3.653 125.113 121.300 0.267 0.000 1.713 279 W HA 0.292 4.952 4.660 0.000 0.000 0.303 279 W C -1.738 174.848 176.519 0.112 0.000 0.915 279 W CA -2.650 54.789 57.345 0.158 0.000 1.751 279 W CB -0.025 29.528 29.460 0.154 0.000 1.955 279 W HN -0.262 nan 8.180 nan 0.000 0.405 280 P HA -0.202 nan 4.420 nan 0.000 0.217 280 P C 1.339 178.716 177.300 0.127 0.000 1.148 280 P CA 2.350 65.564 63.100 0.190 0.000 0.828 280 P CB 0.118 31.908 31.700 0.150 0.000 0.783 281 A N -0.168 122.761 122.820 0.183 0.000 2.121 281 A HA -0.086 4.234 4.320 -0.000 0.000 0.218 281 A C 1.925 179.450 177.584 -0.098 0.000 1.154 281 A CA 1.243 53.322 52.037 0.070 0.000 0.679 281 A CB -0.542 18.550 19.000 0.154 0.000 0.795 281 A HN 0.068 nan 8.150 nan 0.000 0.458 282 K N -0.643 119.631 120.400 -0.210 0.000 2.387 282 K HA 0.378 4.698 4.320 -0.000 0.000 0.203 282 K C -0.075 176.408 176.600 -0.195 0.000 1.030 282 K CA 0.514 56.585 56.287 -0.360 0.000 1.099 282 K CB 0.528 32.525 32.500 -0.838 0.000 0.863 282 K HN 0.315 nan 8.250 nan 0.000 0.529 283 A N 1.385 124.156 122.820 -0.082 0.000 2.256 283 A HA 0.477 4.797 4.320 -0.000 0.000 0.317 283 A C -0.231 177.327 177.584 -0.044 0.000 1.318 283 A CA -0.494 51.523 52.037 -0.033 0.000 0.894 283 A CB 0.728 19.753 19.000 0.043 0.000 1.165 283 A HN -0.048 nan 8.150 nan 0.000 0.525 284 V N 4.117 123.989 119.914 -0.070 0.000 2.334 284 V HA 0.327 4.447 4.120 -0.000 0.000 0.267 284 V C 0.843 177.031 176.094 0.158 0.000 1.040 284 V CA -0.049 62.235 62.300 -0.027 0.000 0.866 284 V CB 0.712 32.411 31.823 -0.207 0.000 1.019 284 V HN 1.000 nan 8.190 nan 0.000 0.468 285 T N 2.878 117.504 114.554 0.120 0.000 2.899 285 T HA 0.803 5.153 4.350 -0.000 0.000 0.284 285 T C -0.608 174.213 174.700 0.202 0.000 1.004 285 T CA -0.423 61.739 62.100 0.102 0.000 1.043 285 T CB 1.417 70.272 68.868 -0.020 0.000 1.013 285 T HN 0.657 nan 8.240 nan 0.000 0.518 286 F N -1.349 118.479 119.950 -0.203 0.000 2.741 286 F HA 0.642 5.169 4.527 -0.000 0.000 0.311 286 F C -0.249 175.306 175.800 -0.408 0.000 1.149 286 F CA -1.517 56.324 58.000 -0.264 0.000 0.930 286 F CB 0.457 39.296 39.000 -0.269 0.000 1.312 286 F HN 0.274 nan 8.300 nan 0.000 0.450 287 V N -0.404 119.235 119.914 -0.458 0.000 2.672 287 V HA 0.250 4.370 4.120 -0.000 0.000 0.242 287 V C -0.295 175.574 176.094 -0.375 0.000 1.059 287 V CA 1.269 63.136 62.300 -0.722 0.000 1.081 287 V CB -0.247 30.905 31.823 -1.119 0.000 0.752 287 V HN 0.810 nan 8.190 nan 0.000 0.472 288 D N -1.082 119.251 120.400 -0.110 0.000 2.648 288 D HA 0.346 4.986 4.640 -0.000 0.000 0.244 288 D C -1.309 174.669 176.300 -0.537 0.000 1.244 288 D CA -0.294 53.590 54.000 -0.194 0.000 0.772 288 D CB 2.340 42.990 40.800 -0.251 0.000 1.379 288 D HN 0.380 nan 8.370 nan 0.000 0.428 289 N N -1.535 116.741 118.700 -0.707 0.000 3.167 289 N HA 0.172 4.912 4.740 -0.000 0.000 0.323 289 N C 1.013 175.988 175.510 -0.891 0.000 1.478 289 N CA -0.430 52.064 53.050 -0.926 0.000 0.753 289 N CB 0.070 38.167 38.487 -0.651 0.000 1.721 289 N HN 0.386 nan 8.380 nan 0.000 0.618 290 H N -1.814 116.905 119.070 -0.585 0.000 2.518 290 H HA 0.057 4.613 4.556 -0.000 0.000 0.289 290 H C -0.411 174.792 175.328 -0.209 0.000 1.051 290 H CA 1.171 57.082 56.048 -0.228 0.000 1.280 290 H CB -0.122 29.615 29.762 -0.042 0.000 1.380 290 H HN 0.509 nan 8.280 nan 0.000 0.566 291 D N 0.860 120.794 120.400 -0.775 0.000 2.414 291 D HA -0.075 4.565 4.640 -0.000 0.000 0.237 291 D C 2.344 178.548 176.300 -0.161 0.000 0.975 291 D CA 2.321 56.025 54.000 -0.493 0.000 0.917 291 D CB -0.269 40.341 40.800 -0.317 0.000 1.061 291 D HN 0.556 nan 8.370 nan 0.000 0.480 292 T N -1.266 113.236 114.554 -0.087 0.000 2.867 292 T HA 0.065 4.415 4.350 -0.000 0.000 0.268 292 T C 1.339 176.054 174.700 0.025 0.000 1.057 292 T CA 1.185 63.348 62.100 0.105 0.000 1.136 292 T CB -0.129 68.820 68.868 0.136 0.000 0.874 292 T HN 0.097 nan 8.240 nan 0.000 0.466 293 G N -0.211 108.511 108.800 -0.129 0.000 3.175 293 G HA2 0.511 4.471 3.960 -0.000 0.000 0.153 293 G HA3 0.511 4.471 3.960 -0.000 0.000 0.153 293 G C 0.118 175.041 174.900 0.038 0.000 1.216 293 G CA 0.189 45.264 45.100 -0.042 0.000 0.943 293 G HN 0.577 nan 8.290 nan 0.000 0.611 294 S N -2.136 113.691 115.700 0.212 0.000 3.236 294 S HA -0.311 4.159 4.470 -0.000 0.000 0.629 294 S C 1.809 176.561 174.600 0.254 0.000 2.873 294 S CA 3.045 61.447 58.200 0.337 0.000 3.603 294 S CB -1.632 61.793 63.200 0.375 0.000 0.287 294 S HN 1.927 nan 8.310 nan 0.000 1.458 295 T N -0.239 114.476 114.554 0.269 0.000 3.100 295 T HA 0.245 4.595 4.350 -0.000 0.000 0.253 295 T C 1.549 176.329 174.700 0.132 0.000 1.118 295 T CA 1.086 63.324 62.100 0.230 0.000 1.058 295 T CB -0.144 68.909 68.868 0.309 0.000 0.953 295 T HN 0.570 nan 8.240 nan 0.000 0.515 296 Q N 1.132 120.928 119.800 -0.007 0.000 2.163 296 Q HA 0.368 4.708 4.340 -0.000 0.000 0.198 296 Q C 1.481 177.455 176.000 -0.043 0.000 0.954 296 Q CA 0.430 56.144 55.803 -0.148 0.000 0.851 296 Q CB -0.241 28.228 28.738 -0.449 0.000 0.928 296 Q HN 0.654 nan 8.270 nan 0.000 0.459 297 A N 0.881 123.708 122.820 0.011 0.000 2.511 297 A HA -0.249 4.071 4.320 -0.000 0.000 0.297 297 A C 0.937 178.568 177.584 0.080 0.000 1.476 297 A CA 0.781 52.861 52.037 0.073 0.000 0.757 297 A CB -1.852 17.209 19.000 0.101 0.000 1.072 297 A HN 0.441 nan 8.150 nan 0.000 0.413 298 M N -2.354 117.297 119.600 0.084 0.000 2.419 298 M HA 0.040 4.520 4.480 -0.000 0.000 0.264 298 M C 0.864 177.329 176.300 0.274 0.000 1.082 298 M CA 1.338 56.707 55.300 0.115 0.000 1.119 298 M CB 0.198 32.868 32.600 0.117 0.000 1.398 298 M HN 0.771 nan 8.290 nan 0.000 0.453 299 W N 1.351 122.705 121.300 0.090 0.000 0.818 299 W HA 0.263 4.923 4.660 -0.000 0.000 0.322 299 W C -2.917 173.633 176.519 0.053 0.000 0.895 299 W CA -2.359 55.041 57.345 0.091 0.000 1.174 299 W CB 0.256 29.835 29.460 0.198 0.000 1.212 299 W HN -0.171 nan 8.180 nan 0.000 0.497 300 P HA 0.025 nan 4.420 nan 0.000 0.268 300 P C -0.084 177.248 177.300 0.053 0.000 1.205 300 P CA 0.253 63.432 63.100 0.133 0.000 0.771 300 P CB 0.927 32.732 31.700 0.174 0.000 0.858 301 F N 4.748 124.643 119.950 -0.091 0.000 2.459 301 F HA 0.250 4.777 4.527 -0.000 0.000 0.346 301 F C -1.646 174.123 175.800 -0.052 0.000 1.128 301 F CA -1.922 55.976 58.000 -0.170 0.000 1.268 301 F CB -0.131 38.729 39.000 -0.234 0.000 1.161 301 F HN 0.244 nan 8.300 nan 0.000 0.583 302 P HA -0.048 nan 4.420 nan 0.000 0.258 302 P C 0.361 177.772 177.300 0.185 0.000 1.187 302 P CA 0.569 63.611 63.100 -0.098 0.000 0.767 302 P CB 0.477 32.016 31.700 -0.269 0.000 0.770 303 S N 2.796 118.658 115.700 0.270 0.000 2.392 303 S HA -0.244 4.226 4.470 -0.000 0.000 0.232 303 S C 1.345 176.213 174.600 0.446 0.000 1.041 303 S CA 1.714 60.194 58.200 0.467 0.000 1.026 303 S CB -0.728 62.697 63.200 0.374 0.000 0.845 303 S HN 0.557 nan 8.310 nan 0.000 0.465 304 D N 0.923 121.484 120.400 0.267 0.000 2.349 304 D HA 0.013 4.653 4.640 -0.000 0.000 0.224 304 D C 0.877 177.305 176.300 0.214 0.000 1.029 304 D CA 0.320 54.460 54.000 0.232 0.000 0.879 304 D CB -0.185 40.701 40.800 0.143 0.000 0.906 304 D HN 0.542 nan 8.370 nan 0.000 0.528 305 K N 0.210 120.746 120.400 0.225 0.000 2.536 305 K HA 0.180 4.500 4.320 -0.000 0.000 0.203 305 K C 1.389 178.115 176.600 0.210 0.000 1.063 305 K CA -0.142 56.261 56.287 0.193 0.000 1.063 305 K CB 1.559 34.138 32.500 0.130 0.000 0.843 305 K HN -0.138 nan 8.250 nan 0.000 0.521 306 V N 1.196 121.189 119.914 0.131 0.000 2.324 306 V HA -0.298 3.822 4.120 -0.000 0.000 0.250 306 V C 2.182 178.002 176.094 -0.458 0.000 1.060 306 V CA 1.655 63.792 62.300 -0.272 0.000 1.042 306 V CB -0.302 31.325 31.823 -0.327 0.000 0.650 306 V HN 0.456 nan 8.190 nan 0.000 0.450 307 M N -0.822 118.504 119.600 -0.457 0.000 2.358 307 M HA -0.158 4.322 4.480 -0.000 0.000 0.264 307 M C 2.156 178.180 176.300 -0.460 0.000 1.064 307 M CA 1.431 56.396 55.300 -0.558 0.000 1.093 307 M CB -1.105 31.143 32.600 -0.587 0.000 1.401 307 M HN 0.482 nan 8.290 nan 0.000 0.440 308 Q N -0.940 118.723 119.800 -0.229 0.000 2.123 308 Q HA -0.057 4.283 4.340 -0.000 0.000 0.199 308 Q C 2.142 178.008 176.000 -0.222 0.000 0.966 308 Q CA 1.348 57.078 55.803 -0.123 0.000 0.845 308 Q CB -0.336 28.417 28.738 0.024 0.000 0.907 308 Q HN 0.637 nan 8.270 nan 0.000 0.439 309 G N -0.085 108.455 108.800 -0.434 0.000 2.418 309 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.217 309 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.217 309 G C 0.882 175.395 174.900 -0.646 0.000 1.158 309 G CA 0.676 45.319 45.100 -0.761 0.000 0.771 309 G HN 0.280 nan 8.290 nan 0.000 0.545 310 Y N 1.094 121.118 120.300 -0.460 0.000 2.314 310 Y HA 0.198 4.748 4.550 -0.000 0.000 0.293 310 Y C 3.060 178.800 175.900 -0.266 0.000 1.129 310 Y CA 0.426 58.322 58.100 -0.340 0.000 1.201 310 Y CB -0.341 37.899 38.460 -0.366 0.000 0.999 310 Y HN 0.256 nan 8.280 nan 0.000 0.541 311 A N -0.763 121.930 122.820 -0.213 0.000 1.933 311 A HA -0.248 4.072 4.320 -0.000 0.000 0.218 311 A C 2.014 179.611 177.584 0.022 0.000 1.175 311 A CA 1.695 53.648 52.037 -0.139 0.000 0.628 311 A CB -1.144 17.744 19.000 -0.185 0.000 0.814 311 A HN 0.562 nan 8.150 nan 0.000 0.444 312 Y N 1.089 121.278 120.300 -0.186 0.000 2.109 312 Y HA -0.134 4.416 4.550 -0.000 0.000 0.281 312 Y C 2.208 177.938 175.900 -0.284 0.000 1.113 312 Y CA 1.971 59.887 58.100 -0.307 0.000 1.098 312 Y CB -0.405 37.791 38.460 -0.440 0.000 0.996 312 Y HN 0.368 nan 8.280 nan 0.000 0.485 313 I N -1.273 119.195 120.570 -0.170 0.000 2.361 313 I HA -0.206 3.964 4.170 -0.000 0.000 0.251 313 I C 1.711 177.796 176.117 -0.054 0.000 1.133 313 I CA 1.607 62.803 61.300 -0.174 0.000 1.413 313 I CB -0.667 37.253 38.000 -0.133 0.000 1.073 313 I HN 0.243 nan 8.210 nan 0.000 0.424 314 L N 1.355 122.586 121.223 0.013 0.000 2.478 314 L HA -0.026 4.314 4.340 -0.000 0.000 0.223 314 L C 2.377 179.296 176.870 0.083 0.000 1.140 314 L CA 1.413 56.295 54.840 0.070 0.000 0.842 314 L CB -0.629 41.487 42.059 0.096 0.000 0.953 314 L HN 0.536 nan 8.230 nan 0.000 0.452 315 T N -6.011 108.605 114.554 0.104 0.000 2.990 315 T HA 0.110 4.460 4.350 -0.000 0.000 0.250 315 T C 0.676 175.441 174.700 0.108 0.000 1.041 315 T CA -0.242 61.939 62.100 0.136 0.000 1.010 315 T CB 0.012 68.995 68.868 0.191 0.000 1.003 315 T HN 0.093 nan 8.240 nan 0.000 0.499 316 H N 2.095 121.085 119.070 -0.132 0.000 2.499 316 H HA 0.564 5.120 4.556 -0.000 0.000 0.352 316 H C -2.375 172.891 175.328 -0.103 0.000 1.237 316 H CA -1.772 54.171 56.048 -0.175 0.000 1.343 316 H CB 0.295 29.798 29.762 -0.432 0.000 1.578 316 H HN 0.078 nan 8.280 nan 0.000 0.577 317 P HA 0.210 nan 4.420 nan 0.000 0.272 317 P C -0.095 177.224 177.300 0.031 0.000 1.254 317 P CA 0.687 63.802 63.100 0.025 0.000 0.795 317 P CB 0.370 32.090 31.700 0.033 0.000 1.022 318 G N -0.779 108.042 108.800 0.035 0.000 2.712 318 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.683 318 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.683 318 G C -1.065 173.836 174.900 0.003 0.000 1.320 318 G CA -0.743 44.370 45.100 0.022 0.000 0.847 318 G HN 0.465 nan 8.290 nan 0.000 0.553 319 I N 2.715 123.276 120.570 -0.015 0.000 2.330 319 I HA 0.330 4.500 4.170 -0.000 0.000 0.286 319 I C -1.784 174.336 176.117 0.005 0.000 1.025 319 I CA -2.002 59.281 61.300 -0.029 0.000 1.197 319 I CB 2.010 39.962 38.000 -0.079 0.000 1.358 319 I HN 0.325 nan 8.210 nan 0.000 0.467 320 P HA 0.026 nan 4.420 nan 0.000 0.275 320 P C -0.842 176.525 177.300 0.111 0.000 1.227 320 P CA -0.301 62.838 63.100 0.065 0.000 0.781 320 P CB 1.625 33.364 31.700 0.064 0.000 0.906 321 C N 5.465 124.866 119.300 0.168 0.000 2.346 321 C HA 0.544 5.004 4.460 -0.000 0.000 0.326 321 C C 0.066 175.194 174.990 0.231 0.000 1.224 321 C CA -0.765 58.382 59.018 0.216 0.000 1.408 321 C CB -1.148 26.761 27.740 0.280 0.000 2.089 321 C HN 0.473 nan 8.230 nan 0.000 0.456 322 I N 5.819 126.497 120.570 0.179 0.000 2.428 322 I HA 0.275 4.445 4.170 -0.000 0.000 0.289 322 I C -0.051 175.990 176.117 -0.126 0.000 1.019 322 I CA -0.176 61.202 61.300 0.130 0.000 1.351 322 I CB 0.762 38.750 38.000 -0.021 0.000 1.412 322 I HN 0.554 nan 8.210 nan 0.000 0.513 323 F N 6.719 126.576 119.950 -0.154 0.000 2.410 323 F HA 0.150 4.677 4.527 -0.000 0.000 0.348 323 F C 0.773 176.323 175.800 -0.416 0.000 1.106 323 F CA -0.713 57.081 58.000 -0.343 0.000 1.163 323 F CB 0.508 39.302 39.000 -0.342 0.000 1.129 323 F HN 0.429 nan 8.300 nan 0.000 0.516 324 Y N 3.752 123.442 120.300 -1.017 0.000 2.029 324 Y HA -0.394 4.156 4.550 -0.000 0.000 0.269 324 Y C 1.912 177.620 175.900 -0.319 0.000 1.201 324 Y CA 2.654 60.424 58.100 -0.551 0.000 1.115 324 Y CB -0.363 37.961 38.460 -0.227 0.000 0.945 324 Y HN 0.679 nan 8.280 nan 0.000 0.497 325 D N -1.114 118.930 120.400 -0.594 0.000 2.116 325 D HA -0.227 4.413 4.640 -0.000 0.000 0.193 325 D C 1.981 178.279 176.300 -0.003 0.000 0.998 325 D CA 2.300 56.218 54.000 -0.137 0.000 0.836 325 D CB -0.720 40.001 40.800 -0.132 0.000 0.951 325 D HN 0.662 nan 8.370 nan 0.000 0.449 326 H N -1.738 117.189 119.070 -0.239 0.000 2.421 326 H HA -0.070 4.486 4.556 -0.000 0.000 0.298 326 H C 1.699 176.995 175.328 -0.054 0.000 1.087 326 H CA 0.587 56.493 56.048 -0.237 0.000 1.330 326 H CB 0.018 29.714 29.762 -0.110 0.000 1.388 326 H HN 0.101 nan 8.280 nan 0.000 0.526 327 F N -0.166 119.670 119.950 -0.190 0.000 2.219 327 F HA -0.046 4.481 4.527 -0.000 0.000 0.294 327 F C 1.262 176.815 175.800 -0.413 0.000 1.086 327 F CA 1.031 58.830 58.000 -0.336 0.000 1.330 327 F CB 0.014 38.779 39.000 -0.391 0.000 1.047 327 F HN -0.033 nan 8.300 nan 0.000 0.495 328 F N -0.418 119.435 119.950 -0.163 0.000 2.622 328 F HA 0.197 4.724 4.527 -0.000 0.000 0.288 328 F C 1.660 177.414 175.800 -0.077 0.000 1.120 328 F CA 0.534 58.400 58.000 -0.224 0.000 1.423 328 F CB -0.541 38.267 39.000 -0.320 0.000 1.127 328 F HN -0.082 nan 8.300 nan 0.000 0.588 329 N N -2.158 116.679 118.700 0.228 0.000 2.220 329 N HA -0.027 4.713 4.740 -0.000 0.000 0.195 329 N C 0.588 176.209 175.510 0.185 0.000 1.123 329 N CA 0.052 53.246 53.050 0.240 0.000 0.874 329 N CB 0.119 38.806 38.487 0.333 0.000 0.995 329 N HN 0.140 nan 8.380 nan 0.000 0.498 330 W N 0.333 121.508 121.300 -0.207 0.000 3.220 330 W HA 0.379 5.039 4.660 -0.000 0.000 0.328 330 W C 1.230 177.264 176.519 -0.809 0.000 1.205 330 W CA -0.123 56.920 57.345 -0.502 0.000 1.773 330 W CB 0.228 29.300 29.460 -0.647 0.000 1.086 330 W HN 0.006 nan 8.180 nan 0.000 0.622 331 G N -0.136 108.490 108.800 -0.290 0.000 2.136 331 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.242 331 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.242 331 G C 0.311 175.157 174.900 -0.088 0.000 0.989 331 G CA 0.299 45.272 45.100 -0.213 0.000 0.682 331 G HN 0.156 nan 8.290 nan 0.000 0.522 332 F N 0.403 120.352 119.950 -0.001 0.000 2.653 332 F HA 0.348 4.875 4.527 -0.000 0.000 0.304 332 F C 2.007 177.679 175.800 -0.214 0.000 1.092 332 F CA -0.199 57.760 58.000 -0.068 0.000 1.279 332 F CB 0.062 39.023 39.000 -0.064 0.000 1.044 332 F HN 0.289 nan 8.300 nan 0.000 0.564 333 K N 1.090 121.354 120.400 -0.226 0.000 2.015 333 K HA -0.245 4.075 4.320 -0.000 0.000 0.220 333 K C 1.401 177.816 176.600 -0.309 0.000 1.055 333 K CA 2.488 58.404 56.287 -0.618 0.000 0.951 333 K CB -0.142 31.962 32.500 -0.660 0.000 0.725 333 K HN 0.075 nan 8.250 nan 0.000 0.449 334 D N 0.252 120.563 120.400 -0.147 0.000 2.117 334 D HA -0.165 4.475 4.640 -0.000 0.000 0.197 334 D C 2.147 178.444 176.300 -0.006 0.000 0.987 334 D CA 1.276 55.241 54.000 -0.058 0.000 0.829 334 D CB -0.210 40.571 40.800 -0.032 0.000 0.961 334 D HN 0.435 nan 8.370 nan 0.000 0.460 335 Q N 0.009 119.823 119.800 0.023 0.000 2.079 335 Q HA -0.046 4.294 4.340 -0.000 0.000 0.200 335 Q C 2.484 178.487 176.000 0.005 0.000 0.974 335 Q CA 0.711 56.541 55.803 0.045 0.000 0.840 335 Q CB 0.054 28.843 28.738 0.086 0.000 0.898 335 Q HN 0.335 nan 8.270 nan 0.000 0.430 336 I N 0.322 120.882 120.570 -0.017 0.000 2.252 336 I HA -0.234 3.936 4.170 -0.000 0.000 0.245 336 I C 2.363 178.525 176.117 0.075 0.000 1.102 336 I CA 0.796 62.081 61.300 -0.025 0.000 1.385 336 I CB -0.345 37.632 38.000 -0.037 0.000 1.064 336 I HN 0.160 nan 8.210 nan 0.000 0.414 337 A N 0.831 123.734 122.820 0.139 0.000 1.933 337 A HA -0.168 4.152 4.320 -0.000 0.000 0.218 337 A C 2.539 180.167 177.584 0.072 0.000 1.175 337 A CA 1.824 53.945 52.037 0.141 0.000 0.628 337 A CB -0.759 18.324 19.000 0.137 0.000 0.814 337 A HN 0.430 nan 8.150 nan 0.000 0.444 338 A N -0.279 122.571 122.820 0.049 0.000 1.933 338 A HA -0.038 4.282 4.320 -0.000 0.000 0.218 338 A C 2.160 179.773 177.584 0.048 0.000 1.175 338 A CA 1.485 53.544 52.037 0.037 0.000 0.628 338 A CB -0.557 18.459 19.000 0.026 0.000 0.814 338 A HN 0.479 nan 8.150 nan 0.000 0.444 339 L N -0.627 120.626 121.223 0.051 0.000 2.093 339 L HA -0.135 4.205 4.340 -0.000 0.000 0.208 339 L C 2.489 179.403 176.870 0.073 0.000 1.085 339 L CA 0.924 55.799 54.840 0.059 0.000 0.755 339 L CB -0.496 41.581 42.059 0.029 0.000 0.904 339 L HN 0.245 nan 8.230 nan 0.000 0.435 340 V N 0.064 120.025 119.914 0.077 0.000 2.427 340 V HA -0.255 3.865 4.120 -0.000 0.000 0.248 340 V C 2.755 178.899 176.094 0.083 0.000 1.051 340 V CA 1.674 64.038 62.300 0.107 0.000 1.048 340 V CB -0.838 31.052 31.823 0.112 0.000 0.666 340 V HN 0.465 nan 8.190 nan 0.000 0.456 341 A N 0.035 122.885 122.820 0.050 0.000 1.902 341 A HA -0.187 4.133 4.320 -0.000 0.000 0.217 341 A C 2.187 179.782 177.584 0.018 0.000 1.181 341 A CA 1.941 53.986 52.037 0.015 0.000 0.623 341 A CB -0.537 18.472 19.000 0.015 0.000 0.818 341 A HN 0.509 nan 8.150 nan 0.000 0.443 342 I N -1.165 119.431 120.570 0.045 0.000 2.226 342 I HA -0.243 3.927 4.170 -0.000 0.000 0.245 342 I C 2.727 178.883 176.117 0.065 0.000 1.100 342 I CA 1.575 62.910 61.300 0.058 0.000 1.374 342 I CB -0.323 37.725 38.000 0.080 0.000 1.057 342 I HN 0.383 nan 8.210 nan 0.000 0.413 343 R N 1.413 121.963 120.500 0.083 0.000 2.073 343 R HA -0.237 4.103 4.340 -0.000 0.000 0.234 343 R C 2.353 178.706 176.300 0.089 0.000 1.134 343 R CA 1.869 58.033 56.100 0.106 0.000 0.952 343 R CB -0.144 30.246 30.300 0.150 0.000 0.850 343 R HN 0.223 nan 8.270 nan 0.000 0.433 344 K N 0.698 121.109 120.400 0.019 0.000 2.002 344 K HA -0.182 4.138 4.320 -0.000 0.000 0.209 344 K C 2.231 178.779 176.600 -0.086 0.000 1.048 344 K CA 1.882 58.073 56.287 -0.160 0.000 0.930 344 K CB -0.177 32.058 32.500 -0.442 0.000 0.714 344 K HN 0.244 nan 8.250 nan 0.000 0.438 345 R N -0.034 120.434 120.500 -0.052 0.000 2.193 345 R HA -0.054 4.286 4.340 -0.000 0.000 0.229 345 R C 0.903 177.203 176.300 -0.001 0.000 1.110 345 R CA 1.361 57.444 56.100 -0.028 0.000 0.988 345 R CB -0.370 29.921 30.300 -0.016 0.000 0.871 345 R HN 0.201 nan 8.270 nan 0.000 0.458 346 N N 0.597 119.309 118.700 0.020 0.000 2.270 346 N HA 0.042 4.782 4.740 -0.000 0.000 0.198 346 N C 0.357 175.890 175.510 0.039 0.000 1.117 346 N CA 0.804 53.875 53.050 0.035 0.000 0.845 346 N CB 1.075 39.598 38.487 0.059 0.000 0.980 346 N HN 0.542 nan 8.380 nan 0.000 0.486 347 G N 1.683 110.504 108.800 0.034 0.000 2.225 347 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.267 347 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.267 347 G C 0.167 175.107 174.900 0.067 0.000 1.024 347 G CA -0.029 45.099 45.100 0.047 0.000 0.784 347 G HN 0.349 nan 8.290 nan 0.000 0.507 348 I N 1.490 122.108 120.570 0.080 0.000 2.556 348 I HA 0.403 4.573 4.170 -0.000 0.000 0.284 348 I C 1.257 177.431 176.117 0.095 0.000 1.114 348 I CA 0.836 62.183 61.300 0.078 0.000 1.418 348 I CB 0.869 38.915 38.000 0.076 0.000 1.394 348 I HN 0.391 nan 8.210 nan 0.000 0.552 349 T N 1.807 116.401 114.554 0.067 0.000 2.742 349 T HA 0.543 4.893 4.350 -0.000 0.000 0.282 349 T C 0.849 175.573 174.700 0.039 0.000 1.025 349 T CA -0.214 61.920 62.100 0.057 0.000 1.020 349 T CB 1.466 70.367 68.868 0.055 0.000 1.317 349 T HN 0.486 nan 8.240 nan 0.000 0.538 350 A N 0.620 123.457 122.820 0.028 0.000 1.978 350 A HA 0.029 4.349 4.320 -0.000 0.000 0.220 350 A C 2.110 179.724 177.584 0.050 0.000 1.170 350 A CA 2.165 54.220 52.037 0.029 0.000 0.636 350 A CB -1.550 17.459 19.000 0.014 0.000 0.810 350 A HN 1.203 nan 8.150 nan 0.000 0.448 351 T N -2.756 111.831 114.554 0.055 0.000 3.206 351 T HA 0.322 4.672 4.350 -0.000 0.000 0.253 351 T C 0.519 175.248 174.700 0.048 0.000 1.042 351 T CA 0.279 62.418 62.100 0.065 0.000 0.931 351 T CB -0.248 68.663 68.868 0.071 0.000 1.029 351 T HN 0.122 nan 8.240 nan 0.000 0.564 352 S N 2.081 117.803 115.700 0.037 0.000 2.573 352 S HA 0.527 4.997 4.470 -0.000 0.000 0.277 352 S C 0.762 175.370 174.600 0.013 0.000 1.346 352 S CA -0.489 57.725 58.200 0.024 0.000 1.034 352 S CB 0.276 63.486 63.200 0.016 0.000 0.879 352 S HN 0.801 nan 8.310 nan 0.000 0.528 353 A N 1.972 124.797 122.820 0.008 0.000 2.363 353 A HA 0.559 4.879 4.320 -0.000 0.000 0.270 353 A C -0.523 177.045 177.584 -0.028 0.000 1.121 353 A CA -0.387 51.652 52.037 0.003 0.000 0.800 353 A CB 0.073 19.080 19.000 0.010 0.000 1.052 353 A HN 0.639 nan 8.150 nan 0.000 0.493 354 L N 1.928 123.134 121.223 -0.029 0.000 2.325 354 L HA 0.587 4.927 4.340 -0.000 0.000 0.281 354 L C -0.220 176.630 176.870 -0.034 0.000 1.004 354 L CA -0.200 54.598 54.840 -0.069 0.000 0.823 354 L CB 1.453 43.470 42.059 -0.070 0.000 1.236 354 L HN 0.668 nan 8.230 nan 0.000 0.415 355 K N 6.303 126.669 120.400 -0.058 0.000 2.507 355 K HA 0.501 4.821 4.320 -0.000 0.000 0.253 355 K C -1.203 175.358 176.600 -0.066 0.000 0.969 355 K CA -0.502 55.760 56.287 -0.041 0.000 0.908 355 K CB 0.784 33.258 32.500 -0.044 0.000 1.127 355 K HN 0.698 nan 8.250 nan 0.000 0.437 356 I N 6.399 126.954 120.570 -0.025 0.000 2.396 356 I HA 0.035 4.205 4.170 -0.000 0.000 0.289 356 I C 0.999 177.093 176.117 -0.039 0.000 1.056 356 I CA -0.207 61.062 61.300 -0.051 0.000 1.365 356 I CB 0.965 38.999 38.000 0.056 0.000 1.407 356 I HN 0.632 nan 8.210 nan 0.000 0.509 357 L N 6.083 127.230 121.223 -0.127 0.000 2.463 357 L HA 0.341 4.681 4.340 -0.000 0.000 0.219 357 L C 0.472 177.288 176.870 -0.091 0.000 1.088 357 L CA 0.462 55.234 54.840 -0.113 0.000 0.849 357 L CB 0.154 42.099 42.059 -0.191 0.000 1.012 357 L HN 0.612 nan 8.230 nan 0.000 0.468 358 M N -0.029 119.514 119.600 -0.095 0.000 2.325 358 M HA 0.226 4.706 4.480 -0.000 0.000 0.285 358 M C -1.791 174.524 176.300 0.025 0.000 1.119 358 M CA -0.438 54.806 55.300 -0.092 0.000 0.959 358 M CB 1.640 34.175 32.600 -0.109 0.000 1.737 358 M HN 0.219 nan 8.290 nan 0.000 0.486 359 H N 0.883 120.006 119.070 0.087 0.000 2.514 359 H HA 0.563 5.119 4.556 -0.000 0.000 0.226 359 H C -1.481 173.991 175.328 0.239 0.000 1.421 359 H CA -0.740 55.444 56.048 0.225 0.000 1.394 359 H CB 0.243 30.174 29.762 0.282 0.000 1.701 359 H HN 0.561 nan 8.280 nan 0.000 0.515 360 E N 0.170 120.468 120.200 0.164 0.000 2.239 360 E HA 0.314 4.664 4.350 -0.000 0.000 0.261 360 E C 1.039 177.796 176.600 0.261 0.000 1.016 360 E CA -0.666 55.844 56.400 0.183 0.000 0.882 360 E CB 1.406 31.149 29.700 0.071 0.000 1.190 360 E HN 0.546 nan 8.360 nan 0.000 0.415 361 G N 1.354 110.360 108.800 0.344 0.000 2.513 361 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.219 361 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.219 361 G C 0.866 175.836 174.900 0.117 0.000 1.160 361 G CA 1.517 46.792 45.100 0.291 0.000 0.767 361 G HN 0.699 nan 8.290 nan 0.000 0.571 362 D N -0.080 120.386 120.400 0.111 0.000 2.368 362 D HA 0.465 5.105 4.640 -0.000 0.000 0.218 362 D C 0.518 176.873 176.300 0.091 0.000 1.112 362 D CA 0.479 54.528 54.000 0.082 0.000 0.834 362 D CB 0.240 41.086 40.800 0.075 0.000 0.953 362 D HN 0.368 nan 8.370 nan 0.000 0.505 363 A N 0.131 123.018 122.820 0.113 0.000 2.512 363 A HA 0.477 4.797 4.320 -0.000 0.000 0.294 363 A C -2.223 175.473 177.584 0.188 0.000 1.054 363 A CA -0.931 51.183 52.037 0.129 0.000 0.756 363 A CB 0.945 19.993 19.000 0.080 0.000 1.293 363 A HN 0.190 nan 8.150 nan 0.000 0.395 364 Y N 2.452 122.802 120.300 0.084 0.000 2.350 364 Y HA 0.667 5.217 4.550 -0.000 0.000 0.338 364 Y C -1.327 174.650 175.900 0.129 0.000 0.961 364 Y CA -0.721 57.450 58.100 0.118 0.000 1.100 364 Y CB 1.859 40.388 38.460 0.115 0.000 1.179 364 Y HN 0.603 nan 8.280 nan 0.000 0.454 365 V N 5.387 125.054 119.914 -0.411 0.000 2.638 365 V HA 0.940 5.060 4.120 -0.000 0.000 0.306 365 V C -0.727 175.062 176.094 -0.508 0.000 1.052 365 V CA -0.427 61.678 62.300 -0.325 0.000 0.885 365 V CB 1.315 33.005 31.823 -0.221 0.000 0.999 365 V HN 0.971 nan 8.190 nan 0.000 0.424 366 A N 3.240 125.858 122.820 -0.336 0.000 2.539 366 A HA 0.857 5.177 4.320 -0.000 0.000 0.296 366 A C -1.036 176.430 177.584 -0.197 0.000 1.073 366 A CA -0.611 51.264 52.037 -0.271 0.000 0.700 366 A CB 1.988 20.875 19.000 -0.188 0.000 1.296 366 A HN 0.796 nan 8.150 nan 0.000 0.405 367 E N 1.180 121.262 120.200 -0.197 0.000 2.176 367 E HA 0.566 4.916 4.350 -0.000 0.000 0.267 367 E C -1.650 174.879 176.600 -0.118 0.000 0.893 367 E CA -0.545 55.750 56.400 -0.174 0.000 0.761 367 E CB 0.959 30.543 29.700 -0.193 0.000 1.133 367 E HN 0.464 nan 8.360 nan 0.000 0.409 368 I N 4.227 124.753 120.570 -0.073 0.000 2.378 368 I HA 0.166 4.336 4.170 -0.000 0.000 0.291 368 I C 0.006 176.132 176.117 0.015 0.000 0.992 368 I CA -0.243 61.019 61.300 -0.062 0.000 1.154 368 I CB 1.609 39.553 38.000 -0.093 0.000 1.315 368 I HN 0.589 nan 8.210 nan 0.000 0.448 369 D N 4.758 125.165 120.400 0.012 0.000 2.955 369 D HA -0.219 4.421 4.640 -0.000 0.000 0.226 369 D C 1.385 177.724 176.300 0.065 0.000 1.178 369 D CA 1.691 55.712 54.000 0.036 0.000 0.808 369 D CB -1.088 39.735 40.800 0.039 0.000 1.099 369 D HN 1.161 nan 8.370 nan 0.000 0.421 370 G N -0.419 108.433 108.800 0.087 0.000 2.187 370 G HA2 -0.432 3.528 3.960 -0.000 0.000 0.261 370 G HA3 -0.432 3.528 3.960 -0.000 0.000 0.261 370 G C 1.024 176.072 174.900 0.247 0.000 1.000 370 G CA 1.259 46.453 45.100 0.157 0.000 0.718 370 G HN 0.535 nan 8.290 nan 0.000 0.519 371 K N -1.600 118.938 120.400 0.230 0.000 2.436 371 K HA 0.425 4.745 4.320 -0.000 0.000 0.198 371 K C 0.383 177.212 176.600 0.381 0.000 1.174 371 K CA 0.451 56.861 56.287 0.205 0.000 0.951 371 K CB 1.420 33.980 32.500 0.099 0.000 1.040 371 K HN 0.240 nan 8.250 nan 0.000 0.536 372 V N 1.926 122.054 119.914 0.356 0.000 2.709 372 V HA 0.357 4.477 4.120 -0.000 0.000 0.308 372 V C -0.824 175.370 176.094 0.166 0.000 1.062 372 V CA -0.946 61.557 62.300 0.338 0.000 0.901 372 V CB 2.326 34.267 31.823 0.196 0.000 1.003 372 V HN -0.197 nan 8.190 nan 0.000 0.425 373 V N 4.552 124.552 119.914 0.143 0.000 2.604 373 V HA 0.672 4.792 4.120 -0.000 0.000 0.305 373 V C -0.513 175.752 176.094 0.286 0.000 1.043 373 V CA -0.640 61.629 62.300 -0.053 0.000 0.888 373 V CB 2.055 33.561 31.823 -0.528 0.000 0.995 373 V HN 0.633 nan 8.190 nan 0.000 0.429 374 V N 4.938 124.990 119.914 0.229 0.000 2.789 374 V HA 0.774 4.894 4.120 -0.000 0.000 0.311 374 V C -0.953 175.357 176.094 0.361 0.000 1.073 374 V CA -0.505 62.018 62.300 0.371 0.000 0.921 374 V CB 1.928 33.956 31.823 0.341 0.000 1.009 374 V HN 0.885 nan 8.190 nan 0.000 0.426 375 K N 6.783 127.457 120.400 0.456 0.000 2.427 375 K HA 0.616 4.936 4.320 -0.000 0.000 0.252 375 K C -1.496 175.315 176.600 0.351 0.000 0.931 375 K CA -0.495 56.014 56.287 0.371 0.000 0.793 375 K CB 1.965 34.712 32.500 0.411 0.000 1.211 375 K HN 0.877 nan 8.250 nan 0.000 0.426 376 I N -1.037 119.729 120.570 0.326 0.000 2.865 376 I HA 0.889 5.059 4.170 -0.000 0.000 0.302 376 I C -0.134 176.101 176.117 0.196 0.000 1.140 376 I CA -0.720 60.736 61.300 0.261 0.000 1.021 376 I CB 2.331 40.459 38.000 0.214 0.000 1.233 376 I HN 0.760 nan 8.210 nan 0.000 0.427 377 G N 3.721 112.609 108.800 0.148 0.000 2.406 377 G HA2 0.050 4.010 3.960 -0.000 0.000 0.680 377 G HA3 0.050 4.010 3.960 -0.000 0.000 0.680 377 G C -2.877 172.088 174.900 0.109 0.000 1.338 377 G CA -0.241 44.924 45.100 0.108 0.000 0.941 377 G HN 0.541 nan 8.290 nan 0.000 0.633 378 P HA -0.024 nan 4.420 nan 0.000 0.222 378 P C 0.801 178.169 177.300 0.113 0.000 1.153 378 P CA 0.351 63.508 63.100 0.095 0.000 0.798 378 P CB 0.230 31.973 31.700 0.072 0.000 0.796 379 R N -0.077 120.485 120.500 0.103 0.000 2.446 379 R HA -0.074 4.266 4.340 -0.000 0.000 0.314 379 R C 1.120 177.497 176.300 0.128 0.000 1.003 379 R CA -0.136 56.028 56.100 0.107 0.000 1.018 379 R CB -0.145 30.201 30.300 0.077 0.000 0.945 379 R HN 0.029 nan 8.270 nan 0.000 0.419 380 Y N 3.318 123.643 120.300 0.043 0.000 2.163 380 Y HA -0.121 4.429 4.550 -0.000 0.000 0.288 380 Y C 0.337 176.270 175.900 0.055 0.000 1.136 380 Y CA 1.598 59.721 58.100 0.040 0.000 1.147 380 Y CB 0.099 38.572 38.460 0.020 0.000 0.987 380 Y HN 0.652 nan 8.280 nan 0.000 0.509 381 D N -0.079 120.288 120.400 -0.054 0.000 2.274 381 D HA 0.335 4.975 4.640 -0.000 0.000 0.239 381 D C -0.066 176.193 176.300 -0.068 0.000 1.104 381 D CA 0.056 53.984 54.000 -0.120 0.000 0.840 381 D CB 1.144 41.959 40.800 0.025 0.000 1.100 381 D HN 0.078 nan 8.370 nan 0.000 0.477 382 V N 1.614 121.475 119.914 -0.087 0.000 3.265 382 V HA 0.452 4.572 4.120 -0.000 0.000 0.346 382 V C 1.487 177.508 176.094 -0.121 0.000 1.447 382 V CA 0.141 62.392 62.300 -0.082 0.000 1.179 382 V CB 0.389 32.171 31.823 -0.068 0.000 1.103 382 V HN 0.510 nan 8.190 nan 0.000 0.530 383 G N 1.349 110.099 108.800 -0.083 0.000 2.450 383 G HA2 -0.127 3.833 3.960 -0.000 0.000 0.220 383 G HA3 -0.127 3.833 3.960 -0.000 0.000 0.220 383 G C 1.492 176.327 174.900 -0.108 0.000 1.130 383 G CA 1.298 46.350 45.100 -0.080 0.000 0.760 383 G HN 0.998 nan 8.290 nan 0.000 0.557 384 A N -0.284 122.483 122.820 -0.087 0.000 2.067 384 A HA 0.216 4.536 4.320 -0.000 0.000 0.219 384 A C 2.297 179.812 177.584 -0.116 0.000 1.158 384 A CA 1.469 53.457 52.037 -0.082 0.000 0.661 384 A CB -0.223 18.742 19.000 -0.057 0.000 0.801 384 A HN 0.477 nan 8.150 nan 0.000 0.452 385 V N 0.122 119.939 119.914 -0.162 0.000 3.650 385 V HA 0.189 4.309 4.120 -0.000 0.000 0.271 385 V C 0.081 176.000 176.094 -0.292 0.000 1.281 385 V CA -0.070 62.113 62.300 -0.195 0.000 1.120 385 V CB -0.317 31.393 31.823 -0.188 0.000 0.856 385 V HN 0.353 nan 8.190 nan 0.000 0.443 386 I N 2.984 123.339 120.570 -0.359 0.000 2.452 386 I HA 0.291 4.461 4.170 -0.000 0.000 0.287 386 I C -1.810 174.122 176.117 -0.309 0.000 1.079 386 I CA -2.127 58.861 61.300 -0.521 0.000 1.387 386 I CB 0.228 37.820 38.000 -0.680 0.000 1.404 386 I HN 0.187 nan 8.210 nan 0.000 0.522 387 P HA 0.116 nan 4.420 nan 0.000 0.269 387 P C -0.286 177.091 177.300 0.128 0.000 1.217 387 P CA -0.297 62.767 63.100 -0.059 0.000 0.783 387 P CB 0.590 32.273 31.700 -0.028 0.000 0.898 388 A N 1.472 124.359 122.820 0.112 0.000 2.445 388 A HA 0.456 4.776 4.320 -0.000 0.000 0.242 388 A C 1.443 179.104 177.584 0.128 0.000 1.075 388 A CA 0.632 52.729 52.037 0.099 0.000 0.777 388 A CB -1.116 17.912 19.000 0.047 0.000 1.013 388 A HN 0.877 nan 8.150 nan 0.000 0.493 389 G N 0.027 108.865 108.800 0.065 0.000 2.195 389 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.246 389 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.246 389 G C -0.036 174.785 174.900 -0.132 0.000 0.984 389 G CA 0.288 45.355 45.100 -0.054 0.000 0.633 389 G HN 0.660 nan 8.290 nan 0.000 0.525 390 F N 0.868 120.837 119.950 0.031 0.000 2.404 390 F HA 0.618 5.145 4.527 -0.000 0.000 0.339 390 F C 0.715 176.656 175.800 0.235 0.000 1.105 390 F CA -0.350 57.711 58.000 0.101 0.000 1.087 390 F CB 2.022 41.026 39.000 0.006 0.000 1.143 390 F HN 0.348 nan 8.300 nan 0.000 0.491 391 V N -0.672 119.521 119.914 0.466 0.000 2.709 391 V HA 0.545 4.665 4.120 -0.000 0.000 0.308 391 V C -0.184 176.094 176.094 0.307 0.000 1.062 391 V CA -0.965 61.569 62.300 0.391 0.000 0.901 391 V CB 1.063 32.993 31.823 0.178 0.000 1.003 391 V HN 0.679 nan 8.190 nan 0.000 0.425 392 T N 3.782 118.366 114.554 0.050 0.000 2.908 392 T HA 0.237 4.587 4.350 -0.000 0.000 0.301 392 T C 1.215 175.855 174.700 -0.099 0.000 1.019 392 T CA 0.777 62.667 62.100 -0.350 0.000 1.152 392 T CB 0.846 69.461 68.868 -0.422 0.000 0.966 392 T HN 1.300 nan 8.240 nan 0.000 0.540 393 S N 0.742 116.386 115.700 -0.093 0.000 2.589 393 S HA 0.602 5.072 4.470 -0.000 0.000 0.235 393 S C 0.367 174.932 174.600 -0.058 0.000 1.051 393 S CA -0.085 58.100 58.200 -0.025 0.000 0.978 393 S CB 0.628 63.845 63.200 0.029 0.000 0.929 393 S HN 0.985 nan 8.310 nan 0.000 0.523 394 A N 1.126 123.887 122.820 -0.098 0.000 2.589 394 A HA 0.781 5.101 4.320 -0.000 0.000 0.296 394 A C -1.147 176.333 177.584 -0.173 0.000 1.062 394 A CA -0.731 51.224 52.037 -0.136 0.000 0.686 394 A CB 0.883 19.884 19.000 0.002 0.000 1.282 394 A HN 0.918 nan 8.150 nan 0.000 0.404 395 H N -1.013 117.907 119.070 -0.249 0.000 3.037 395 H HA 0.858 5.414 4.556 -0.000 0.000 0.336 395 H C -0.212 174.679 175.328 -0.728 0.000 1.323 395 H CA -0.355 55.349 56.048 -0.572 0.000 1.159 395 H CB 0.814 30.321 29.762 -0.424 0.000 1.882 395 H HN 1.679 nan 8.280 nan 0.000 0.535 396 G N -0.233 107.962 108.800 -1.009 0.000 2.578 396 G HA2 0.186 4.146 3.960 -0.000 0.000 0.302 396 G HA3 0.186 4.146 3.960 -0.000 0.000 0.302 396 G C -1.354 173.372 174.900 -0.290 0.000 1.243 396 G CA -1.240 43.534 45.100 -0.543 0.000 0.843 396 G HN 0.672 nan 8.290 nan 0.000 0.486 397 N N 2.156 120.875 118.700 0.032 0.000 2.423 397 N HA 0.180 4.920 4.740 -0.000 0.000 0.275 397 N C -0.633 174.982 175.510 0.174 0.000 1.283 397 N CA 0.566 53.684 53.050 0.113 0.000 0.932 397 N CB 0.569 39.152 38.487 0.159 0.000 1.185 397 N HN 0.494 nan 8.380 nan 0.000 0.483 398 D N 0.664 121.135 120.400 0.118 0.000 2.870 398 D HA -0.236 4.404 4.640 -0.000 0.000 0.228 398 D C -0.669 175.768 176.300 0.228 0.000 1.147 398 D CA 1.165 55.256 54.000 0.152 0.000 0.757 398 D CB -1.726 39.162 40.800 0.147 0.000 1.091 398 D HN 0.735 nan 8.370 nan 0.000 0.429 399 Y N -2.614 117.730 120.300 0.074 0.000 2.592 399 Y HA 0.717 5.267 4.550 -0.000 0.000 0.334 399 Y C -1.505 174.419 175.900 0.040 0.000 1.136 399 Y CA -0.810 57.334 58.100 0.072 0.000 1.042 399 Y CB 1.075 39.566 38.460 0.052 0.000 1.325 399 Y HN 0.115 nan 8.280 nan 0.000 0.457 400 A N 2.030 124.905 122.820 0.092 0.000 2.589 400 A HA 0.799 5.119 4.320 -0.000 0.000 0.296 400 A C -2.256 175.270 177.584 -0.097 0.000 1.062 400 A CA -0.717 51.197 52.037 -0.205 0.000 0.686 400 A CB 1.601 20.281 19.000 -0.534 0.000 1.282 400 A HN 1.047 nan 8.150 nan 0.000 0.404 401 V N 1.459 121.241 119.914 -0.221 0.000 2.789 401 V HA 0.624 4.744 4.120 -0.000 0.000 0.311 401 V C -0.865 175.193 176.094 -0.060 0.000 1.073 401 V CA -0.533 61.800 62.300 0.055 0.000 0.921 401 V CB 1.849 33.764 31.823 0.152 0.000 1.009 401 V HN 0.861 nan 8.190 nan 0.000 0.426 402 W N 1.552 122.938 121.300 0.143 0.000 2.781 402 W HA 0.679 5.339 4.660 0.000 0.000 0.345 402 W C -0.325 176.393 176.519 0.331 0.000 1.085 402 W CA -0.585 56.890 57.345 0.218 0.000 1.198 402 W CB 2.373 31.974 29.460 0.235 0.000 1.423 402 W HN 0.526 nan 8.180 nan 0.000 0.532 403 E N 1.469 121.977 120.200 0.514 0.000 2.317 403 E HA 0.347 4.697 4.350 -0.000 0.000 0.270 403 E C -0.707 175.899 176.600 0.010 0.000 0.885 403 E CA -0.861 55.716 56.400 0.296 0.000 0.760 403 E CB 3.873 33.662 29.700 0.149 0.000 1.227 403 E HN 0.203 nan 8.360 nan 0.000 0.434 404 K N 0.000 120.193 120.400 -0.345 0.000 2.780 404 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 404 K CA 0.000 55.905 56.287 -0.636 0.000 0.838 404 K CB 0.000 31.615 32.500 -1.474 0.000 1.064 404 K HN 0.000 nan 8.250 nan 0.000 0.543