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 1oc2_1_A DATA FIRST_RESID 3 DATA SEQUENCE QFKNIIVTGG AGFIGSNFVH YVYNNHPDVH VTVLDKLTYA GNKANLEAIL DATA SEQUENCE GDRVELVVGD IADAELVDKL AAKADAIVHY AAESHNDNSL NDPSPFIHTN DATA SEQUENCE FIGTYTLLEA ARKYDIRFHH VSTDEVYGDL PLREDLPGHG EGPGEKFTAE DATA SEQUENCE TNYNPSSPYS STKAASDLIV KAWVRSFGVK ATISNCSNNY GPYQHIEKFI DATA SEQUENCE PRQITNILAG IKPKLYGEGK NVRDWIHTND HSTGVWAILT KGRMGETYLI DATA SEQUENCE GADGEKNNKE VLELILEKMG QPKDAYDHVT DRAGHDLRYA IDASKLRDEL DATA SEQUENCE GWTPQFTDFS EGLEETIQWY TDNQDWWKAE KEAVEANYAK TQEVIK 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 3 Q HA 0.000 nan 4.340 nan 0.000 0.214 3 Q C 0.000 175.506 176.000 -0.823 0.000 1.003 3 Q CA 0.000 55.533 55.803 -0.450 0.000 1.022 3 Q CB 0.000 28.420 28.738 -0.531 0.000 1.108 4 F N 1.092 121.055 119.950 0.021 0.000 2.540 4 F HA 0.625 5.152 4.527 -0.000 0.000 0.317 4 F C 0.614 176.469 175.800 0.092 0.000 1.104 4 F CA -0.901 57.122 58.000 0.039 0.000 0.913 4 F CB 1.900 40.904 39.000 0.007 0.000 1.170 4 F HN -0.229 nan 8.300 nan 0.000 0.450 5 K N 0.674 121.220 120.400 0.243 0.000 2.391 5 K HA 0.251 4.571 4.320 -0.000 0.000 0.197 5 K C -0.359 176.364 176.600 0.204 0.000 1.087 5 K CA 0.299 56.697 56.287 0.185 0.000 1.012 5 K CB 0.404 32.975 32.500 0.117 0.000 0.925 5 K HN 0.466 nan 8.250 nan 0.000 0.547 6 N N 1.378 120.206 118.700 0.213 0.000 2.685 6 N HA 0.212 4.951 4.740 -0.000 0.000 0.252 6 N C -0.786 174.826 175.510 0.171 0.000 1.261 6 N CA -0.217 52.956 53.050 0.205 0.000 0.768 6 N CB 1.623 40.196 38.487 0.144 0.000 1.304 6 N HN 0.112 nan 8.380 nan 0.000 0.536 7 I N -1.414 119.255 120.570 0.164 0.000 2.607 7 I HA 0.645 4.815 4.170 -0.000 0.000 0.305 7 I C -0.372 175.799 176.117 0.090 0.000 0.995 7 I CA -0.858 60.508 61.300 0.110 0.000 1.148 7 I CB 1.505 39.590 38.000 0.142 0.000 1.323 7 I HN 0.063 nan 8.210 nan 0.000 0.461 8 I N 5.276 125.880 120.570 0.057 0.000 2.336 8 I HA 0.331 4.500 4.170 -0.000 0.000 0.292 8 I C -0.570 175.590 176.117 0.072 0.000 0.991 8 I CA -0.851 60.480 61.300 0.052 0.000 1.227 8 I CB 1.862 39.877 38.000 0.024 0.000 1.366 8 I HN 0.355 nan 8.210 nan 0.000 0.466 9 V N 5.225 125.203 119.914 0.106 0.000 2.313 9 V HA 0.229 4.349 4.120 -0.000 0.000 0.278 9 V C 0.472 176.646 176.094 0.134 0.000 1.017 9 V CA -0.633 61.768 62.300 0.168 0.000 0.823 9 V CB 1.335 33.309 31.823 0.253 0.000 1.010 9 V HN 0.854 nan 8.190 nan 0.000 0.443 10 T N 1.267 115.908 114.554 0.145 0.000 2.913 10 T HA 0.512 4.861 4.350 -0.000 0.000 0.297 10 T C 1.200 176.010 174.700 0.184 0.000 1.029 10 T CA 0.432 62.615 62.100 0.138 0.000 1.104 10 T CB 1.365 70.312 68.868 0.133 0.000 0.964 10 T HN 1.754 nan 8.240 nan 0.000 0.532 11 G N 1.294 110.168 108.800 0.122 0.000 2.179 11 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.257 11 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.257 11 G C 0.912 175.829 174.900 0.029 0.000 1.010 11 G CA 0.238 45.395 45.100 0.096 0.000 0.736 11 G HN 1.481 nan 8.290 nan 0.000 0.513 12 G N -0.495 108.316 108.800 0.017 0.000 2.848 12 G HA2 0.404 4.364 3.960 -0.000 0.000 0.208 12 G HA3 0.404 4.364 3.960 -0.000 0.000 0.208 12 G C 1.366 176.244 174.900 -0.036 0.000 1.152 12 G CA 1.349 46.424 45.100 -0.042 0.000 0.789 12 G HN 1.479 nan 8.290 nan 0.000 0.531 13 A N -0.100 122.718 122.820 -0.004 0.000 2.275 13 A HA 0.604 4.924 4.320 -0.000 0.000 0.212 13 A C 1.471 179.087 177.584 0.054 0.000 1.201 13 A CA 0.630 52.679 52.037 0.020 0.000 0.843 13 A CB 0.048 19.065 19.000 0.028 0.000 0.873 13 A HN 0.435 nan 8.150 nan 0.000 0.492 14 G N -1.748 107.074 108.800 0.037 0.000 2.606 14 G HA2 0.383 4.343 3.960 -0.000 0.000 0.262 14 G HA3 0.383 4.343 3.960 -0.000 0.000 0.262 14 G C 0.627 175.621 174.900 0.157 0.000 1.394 14 G CA -0.058 45.102 45.100 0.100 0.000 1.044 14 G HN 0.122 nan 8.290 nan 0.000 0.553 15 F N 0.067 120.050 119.950 0.055 0.000 2.000 15 F HA -0.006 4.521 4.527 -0.000 0.000 0.295 15 F C 2.487 178.244 175.800 -0.072 0.000 1.159 15 F CA 1.483 59.514 58.000 0.052 0.000 1.171 15 F CB -0.695 38.374 39.000 0.116 0.000 0.971 15 F HN 0.191 nan 8.300 nan 0.000 0.479 16 I N 0.531 120.763 120.570 -0.562 0.000 2.315 16 I HA -0.174 3.996 4.170 -0.000 0.000 0.248 16 I C 2.726 178.418 176.117 -0.709 0.000 1.117 16 I CA 1.341 62.197 61.300 -0.740 0.000 1.404 16 I CB -1.379 36.369 38.000 -0.420 0.000 1.071 16 I HN 0.388 nan 8.210 nan 0.000 0.419 17 G N 0.729 109.077 108.800 -0.753 0.000 2.421 17 G HA2 -0.287 3.672 3.960 -0.000 0.000 0.216 17 G HA3 -0.287 3.672 3.960 -0.000 0.000 0.216 17 G C 1.832 176.485 174.900 -0.413 0.000 1.171 17 G CA 1.116 45.636 45.100 -0.966 0.000 0.775 17 G HN 0.502 nan 8.290 nan 0.000 0.543 18 S N 0.903 116.457 115.700 -0.244 0.000 2.382 18 S HA -0.131 4.339 4.470 -0.000 0.000 0.228 18 S C 2.097 176.632 174.600 -0.107 0.000 1.027 18 S CA 1.391 59.511 58.200 -0.133 0.000 0.991 18 S CB -0.498 62.619 63.200 -0.138 0.000 0.823 18 S HN 0.373 nan 8.310 nan 0.000 0.469 19 N N 0.800 119.357 118.700 -0.238 0.000 2.104 19 N HA -0.079 4.661 4.740 -0.000 0.000 0.190 19 N C 1.428 176.920 175.510 -0.029 0.000 1.024 19 N CA 1.515 54.439 53.050 -0.210 0.000 0.853 19 N CB -0.524 37.775 38.487 -0.313 0.000 1.008 19 N HN 0.526 nan 8.380 nan 0.000 0.424 20 F N 2.216 122.032 119.950 -0.223 0.000 2.102 20 F HA -0.155 4.372 4.527 -0.000 0.000 0.298 20 F C 2.272 178.112 175.800 0.066 0.000 1.105 20 F CA 0.928 58.886 58.000 -0.071 0.000 1.239 20 F CB -0.435 38.453 39.000 -0.187 0.000 0.991 20 F HN -0.246 nan 8.300 nan 0.000 0.474 21 V N 0.310 120.222 119.914 -0.004 0.000 2.332 21 V HA -0.350 3.770 4.120 -0.000 0.000 0.248 21 V C 2.504 178.530 176.094 -0.114 0.000 1.055 21 V CA 2.337 64.584 62.300 -0.087 0.000 1.038 21 V CB -0.993 30.789 31.823 -0.068 0.000 0.651 21 V HN 0.445 nan 8.190 nan 0.000 0.450 22 H N -1.626 117.354 119.070 -0.151 0.000 2.353 22 H HA -0.220 4.336 4.556 -0.000 0.000 0.300 22 H C 2.258 177.548 175.328 -0.064 0.000 1.090 22 H CA 2.413 58.392 56.048 -0.115 0.000 1.327 22 H CB -0.159 29.520 29.762 -0.139 0.000 1.383 22 H HN 0.587 nan 8.280 nan 0.000 0.508 23 Y N 1.672 121.929 120.300 -0.070 0.000 2.128 23 Y HA -0.243 4.307 4.550 -0.000 0.000 0.284 23 Y C 2.457 178.202 175.900 -0.258 0.000 1.154 23 Y CA 1.383 59.387 58.100 -0.159 0.000 1.149 23 Y CB -0.534 37.824 38.460 -0.171 0.000 0.976 23 Y HN -0.132 nan 8.280 nan 0.000 0.505 24 V N -0.187 119.472 119.914 -0.426 0.000 2.358 24 V HA -0.292 3.828 4.120 -0.000 0.000 0.246 24 V C 2.088 178.004 176.094 -0.297 0.000 1.047 24 V CA 2.089 64.124 62.300 -0.441 0.000 1.035 24 V CB -1.212 30.410 31.823 -0.335 0.000 0.658 24 V HN 0.616 nan 8.190 nan 0.000 0.452 25 Y N 1.925 122.036 120.300 -0.315 0.000 2.114 25 Y HA -0.331 4.218 4.550 -0.000 0.000 0.282 25 Y C 2.588 178.330 175.900 -0.264 0.000 1.165 25 Y CA 2.448 60.393 58.100 -0.258 0.000 1.148 25 Y CB -0.318 37.983 38.460 -0.266 0.000 0.972 25 Y HN 0.364 nan 8.280 nan 0.000 0.504 26 N N 0.078 118.656 118.700 -0.203 0.000 2.109 26 N HA -0.169 4.570 4.740 -0.000 0.000 0.188 26 N C 1.167 176.409 175.510 -0.446 0.000 1.034 26 N CA 2.067 54.949 53.050 -0.279 0.000 0.846 26 N CB -0.445 37.950 38.487 -0.154 0.000 1.010 26 N HN 0.447 nan 8.380 nan 0.000 0.425 27 N N -1.019 117.272 118.700 -0.681 0.000 2.356 27 N HA 0.003 4.743 4.740 -0.000 0.000 0.178 27 N C -0.314 174.531 175.510 -1.108 0.000 1.075 27 N CA 0.374 52.862 53.050 -0.937 0.000 0.889 27 N CB 0.296 37.984 38.487 -1.331 0.000 0.999 27 N HN 0.437 nan 8.380 nan 0.000 0.464 28 H N -0.211 118.546 119.070 -0.522 0.000 2.511 28 H HA 0.203 4.758 4.556 -0.000 0.000 0.228 28 H C -1.862 173.314 175.328 -0.253 0.000 1.424 28 H CA -1.084 54.742 56.048 -0.369 0.000 1.321 28 H CB 1.195 30.665 29.762 -0.487 0.000 1.720 28 H HN 0.064 nan 8.280 nan 0.000 0.512 29 P HA -0.126 nan 4.420 nan 0.000 0.234 29 P C 0.705 177.960 177.300 -0.076 0.000 1.167 29 P CA 0.872 63.863 63.100 -0.182 0.000 0.763 29 P CB 0.466 32.019 31.700 -0.246 0.000 0.835 30 D N -0.548 119.841 120.400 -0.019 0.000 2.355 30 D HA -0.015 4.625 4.640 -0.000 0.000 0.218 30 D C 0.444 176.790 176.300 0.077 0.000 1.004 30 D CA 0.156 54.173 54.000 0.029 0.000 0.880 30 D CB -0.249 40.576 40.800 0.043 0.000 0.911 30 D HN 0.019 nan 8.370 nan 0.000 0.528 31 V N 1.050 121.017 119.914 0.089 0.000 2.481 31 V HA 0.177 4.296 4.120 -0.000 0.000 0.286 31 V C -0.409 175.762 176.094 0.129 0.000 1.042 31 V CA -0.800 61.584 62.300 0.141 0.000 0.928 31 V CB 1.184 33.112 31.823 0.176 0.000 0.986 31 V HN 0.208 nan 8.190 nan 0.000 0.462 32 H N 3.569 122.685 119.070 0.077 0.000 2.489 32 H HA 0.645 5.201 4.556 -0.000 0.000 0.322 32 H C -0.880 174.496 175.328 0.079 0.000 1.091 32 H CA -0.287 55.798 56.048 0.062 0.000 1.291 32 H CB 1.522 31.313 29.762 0.048 0.000 1.436 32 H HN 0.406 nan 8.280 nan 0.000 0.480 33 V N 5.249 124.830 119.914 -0.554 0.000 2.495 33 V HA 0.281 4.401 4.120 -0.000 0.000 0.298 33 V C -0.162 175.707 176.094 -0.375 0.000 1.031 33 V CA -0.744 61.391 62.300 -0.276 0.000 0.871 33 V CB 1.858 33.602 31.823 -0.132 0.000 0.988 33 V HN 0.922 nan 8.190 nan 0.000 0.432 34 T N 4.403 118.899 114.554 -0.098 0.000 2.756 34 T HA 0.449 4.799 4.350 -0.000 0.000 0.290 34 T C -0.211 174.495 174.700 0.009 0.000 0.985 34 T CA -0.268 61.826 62.100 -0.011 0.000 0.955 34 T CB 1.278 70.198 68.868 0.087 0.000 0.930 34 T HN 0.342 nan 8.240 nan 0.000 0.451 35 V N 4.983 124.896 119.914 -0.001 0.000 2.461 35 V HA 0.374 4.494 4.120 -0.000 0.000 0.275 35 V C -0.139 175.970 176.094 0.024 0.000 1.047 35 V CA -0.731 61.579 62.300 0.017 0.000 0.955 35 V CB 1.202 33.024 31.823 -0.002 0.000 0.988 35 V HN 0.617 nan 8.190 nan 0.000 0.471 36 L N 5.640 126.884 121.223 0.034 0.000 2.294 36 L HA 0.674 5.014 4.340 -0.000 0.000 0.283 36 L C -0.723 176.169 176.870 0.037 0.000 1.015 36 L CA 0.447 55.305 54.840 0.030 0.000 0.831 36 L CB 1.075 43.148 42.059 0.023 0.000 1.217 36 L HN 0.725 nan 8.230 nan 0.000 0.420 37 D N 3.343 123.762 120.400 0.031 0.000 2.990 37 D HA 0.150 4.790 4.640 -0.000 0.000 0.227 37 D C -0.160 176.156 176.300 0.027 0.000 1.249 37 D CA -0.301 53.718 54.000 0.031 0.000 0.891 37 D CB 2.365 43.179 40.800 0.024 0.000 1.647 37 D HN 0.627 nan 8.370 nan 0.000 0.530 38 K N 2.937 123.354 120.400 0.029 0.000 2.432 38 K HA 0.135 4.454 4.320 -0.000 0.000 0.196 38 K C 0.517 177.127 176.600 0.018 0.000 1.038 38 K CA 0.190 56.495 56.287 0.030 0.000 0.986 38 K CB -0.037 32.489 32.500 0.043 0.000 0.782 38 K HN 0.568 nan 8.250 nan 0.000 0.485 39 L N 2.494 123.721 121.223 0.007 0.000 3.746 39 L HA -0.242 4.098 4.340 -0.000 0.000 0.542 39 L C 0.480 177.346 176.870 -0.007 0.000 1.268 39 L CA 0.324 55.163 54.840 -0.002 0.000 0.818 39 L CB -2.546 39.520 42.059 0.011 0.000 1.472 39 L HN 0.438 nan 8.230 nan 0.000 0.843 40 T N -2.712 111.820 114.554 -0.036 0.000 2.681 40 T HA 0.130 4.480 4.350 -0.000 0.000 0.333 40 T C 1.318 175.972 174.700 -0.077 0.000 1.049 40 T CA 0.484 62.565 62.100 -0.032 0.000 1.002 40 T CB 0.272 69.105 68.868 -0.060 0.000 1.161 40 T HN 0.420 nan 8.240 nan 0.000 0.519 41 Y N -0.355 119.940 120.300 -0.008 0.000 2.241 41 Y HA 0.052 4.602 4.550 -0.000 0.000 0.286 41 Y C 2.361 178.268 175.900 0.011 0.000 1.166 41 Y CA 0.875 58.978 58.100 0.005 0.000 1.203 41 Y CB -1.139 37.309 38.460 -0.020 0.000 0.977 41 Y HN 0.596 nan 8.280 nan 0.000 0.529 42 A N 1.008 123.109 122.820 -1.200 0.000 2.195 42 A HA 0.379 4.699 4.320 -0.000 0.000 0.210 42 A C 1.543 178.988 177.584 -0.231 0.000 1.165 42 A CA 0.338 51.877 52.037 -0.830 0.000 0.806 42 A CB -0.893 17.470 19.000 -1.062 0.000 0.847 42 A HN 0.535 nan 8.150 nan 0.000 0.482 43 G N -0.072 108.629 108.800 -0.164 0.000 2.377 43 G HA2 0.444 4.404 3.960 -0.000 0.000 0.299 43 G HA3 0.444 4.404 3.960 -0.000 0.000 0.299 43 G C -0.832 174.080 174.900 0.021 0.000 1.150 43 G CA -0.392 44.688 45.100 -0.032 0.000 0.847 43 G HN 0.137 nan 8.290 nan 0.000 0.501 44 N N 1.032 119.777 118.700 0.076 0.000 2.533 44 N HA 0.139 4.879 4.740 -0.000 0.000 0.289 44 N C 0.917 176.496 175.510 0.115 0.000 1.103 44 N CA -0.632 52.475 53.050 0.095 0.000 0.877 44 N CB 1.806 40.386 38.487 0.155 0.000 1.419 44 N HN 0.440 nan 8.380 nan 0.000 0.517 45 K N 1.419 121.865 120.400 0.076 0.000 2.218 45 K HA -0.125 4.195 4.320 -0.000 0.000 0.205 45 K C 1.460 178.128 176.600 0.113 0.000 1.046 45 K CA 1.594 57.924 56.287 0.071 0.000 0.933 45 K CB 0.085 32.613 32.500 0.046 0.000 0.728 45 K HN 0.584 nan 8.250 nan 0.000 0.454 46 A N 1.675 124.602 122.820 0.179 0.000 2.070 46 A HA -0.148 4.172 4.320 -0.000 0.000 0.220 46 A C 1.497 179.300 177.584 0.365 0.000 1.159 46 A CA 1.331 53.535 52.037 0.278 0.000 0.656 46 A CB -0.318 18.905 19.000 0.372 0.000 0.800 46 A HN 0.250 nan 8.150 nan 0.000 0.453 47 N N -0.429 118.473 118.700 0.337 0.000 2.453 47 N HA 0.007 4.747 4.740 -0.000 0.000 0.183 47 N C 1.126 176.649 175.510 0.022 0.000 1.041 47 N CA 1.034 54.160 53.050 0.126 0.000 0.900 47 N CB -0.103 38.449 38.487 0.108 0.000 0.961 47 N HN 0.552 nan 8.380 nan 0.000 0.443 48 L N -0.877 120.369 121.223 0.038 0.000 2.840 48 L HA 0.223 4.562 4.340 -0.000 0.000 0.249 48 L C 1.869 178.685 176.870 -0.089 0.000 1.119 48 L CA -0.002 54.796 54.840 -0.070 0.000 0.930 48 L CB 0.137 42.147 42.059 -0.080 0.000 1.295 48 L HN -0.008 nan 8.230 nan 0.000 0.534 49 E N 1.877 122.075 120.200 -0.004 0.000 2.130 49 E HA -0.277 4.073 4.350 -0.000 0.000 0.196 49 E C 2.091 178.667 176.600 -0.042 0.000 0.998 49 E CA 1.760 58.156 56.400 -0.007 0.000 0.806 49 E CB 0.108 29.833 29.700 0.042 0.000 0.738 49 E HN 0.468 nan 8.360 nan 0.000 0.459 50 A N 0.865 123.658 122.820 -0.045 0.000 2.066 50 A HA -0.037 4.283 4.320 -0.000 0.000 0.218 50 A C 2.066 179.544 177.584 -0.176 0.000 1.157 50 A CA 1.107 53.107 52.037 -0.062 0.000 0.670 50 A CB -0.544 18.452 19.000 -0.008 0.000 0.804 50 A HN 0.553 nan 8.150 nan 0.000 0.453 51 I N -3.513 116.847 120.570 -0.350 0.000 4.018 51 I HA 0.356 4.526 4.170 -0.000 0.000 0.337 51 I C -0.221 175.683 176.117 -0.355 0.000 1.327 51 I CA -0.449 60.464 61.300 -0.644 0.000 1.100 51 I CB 0.015 37.144 38.000 -1.452 0.000 1.025 51 I HN -0.075 nan 8.210 nan 0.000 0.396 52 L N 2.926 124.038 121.223 -0.185 0.000 2.453 52 L HA 0.558 4.897 4.340 -0.000 0.000 0.272 52 L C 0.831 177.691 176.870 -0.016 0.000 1.182 52 L CA 0.762 55.551 54.840 -0.085 0.000 0.858 52 L CB 0.485 42.511 42.059 -0.054 0.000 1.120 52 L HN 0.523 nan 8.230 nan 0.000 0.474 53 G N 1.795 110.611 108.800 0.026 0.000 2.512 53 G HA2 -0.045 3.914 3.960 -0.000 0.000 0.181 53 G HA3 -0.045 3.914 3.960 -0.000 0.000 0.181 53 G C -0.305 174.650 174.900 0.091 0.000 1.173 53 G CA -0.296 44.840 45.100 0.059 0.000 0.988 53 G HN 0.418 nan 8.290 nan 0.000 0.485 54 D N -0.076 120.382 120.400 0.097 0.000 2.269 54 D HA 0.043 4.683 4.640 -0.000 0.000 0.208 54 D C 2.412 178.837 176.300 0.207 0.000 0.963 54 D CA 0.672 54.747 54.000 0.125 0.000 0.864 54 D CB 0.176 41.021 40.800 0.074 0.000 0.936 54 D HN 0.309 nan 8.370 nan 0.000 0.505 55 R N -0.313 120.270 120.500 0.139 0.000 2.127 55 R HA 0.119 4.458 4.340 -0.000 0.000 0.217 55 R C 0.131 176.377 176.300 -0.091 0.000 1.074 55 R CA 0.455 56.611 56.100 0.093 0.000 0.991 55 R CB 0.732 31.073 30.300 0.067 0.000 0.895 55 R HN -0.054 nan 8.270 nan 0.000 0.450 56 V N 1.409 121.291 119.914 -0.053 0.000 2.525 56 V HA 0.231 4.350 4.120 -0.000 0.000 0.299 56 V C -0.780 175.265 176.094 -0.082 0.000 1.034 56 V CA -0.946 61.264 62.300 -0.151 0.000 0.863 56 V CB 1.700 33.447 31.823 -0.127 0.000 0.999 56 V HN 0.152 nan 8.190 nan 0.000 0.423 57 E N 4.292 124.435 120.200 -0.095 0.000 2.256 57 E HA 0.707 5.057 4.350 -0.000 0.000 0.267 57 E C -1.737 174.858 176.600 -0.009 0.000 0.892 57 E CA -0.902 55.502 56.400 0.007 0.000 0.775 57 E CB 2.315 32.086 29.700 0.119 0.000 1.207 57 E HN 0.533 nan 8.360 nan 0.000 0.420 58 L N 4.549 125.773 121.223 0.002 0.000 2.296 58 L HA 0.453 4.793 4.340 -0.000 0.000 0.286 58 L C -1.584 175.297 176.870 0.018 0.000 1.023 58 L CA -0.671 54.172 54.840 0.004 0.000 0.812 58 L CB 1.622 43.680 42.059 -0.001 0.000 1.223 58 L HN 0.481 nan 8.230 nan 0.000 0.421 59 V N 6.092 126.018 119.914 0.021 0.000 2.357 59 V HA 0.388 4.508 4.120 -0.000 0.000 0.284 59 V C -0.214 175.893 176.094 0.021 0.000 1.018 59 V CA -0.780 61.534 62.300 0.023 0.000 0.841 59 V CB 1.683 33.521 31.823 0.026 0.000 0.991 59 V HN 0.519 nan 8.190 nan 0.000 0.437 60 V N 5.101 125.027 119.914 0.020 0.000 2.427 60 V HA 0.843 4.963 4.120 -0.000 0.000 0.268 60 V C 0.811 176.919 176.094 0.023 0.000 1.046 60 V CA 0.733 63.045 62.300 0.021 0.000 0.970 60 V CB 0.528 32.363 31.823 0.020 0.000 1.001 60 V HN 1.123 nan 8.190 nan 0.000 0.476 61 G N 3.713 112.529 108.800 0.027 0.000 2.349 61 G HA2 0.359 4.319 3.960 -0.000 0.000 0.294 61 G HA3 0.359 4.319 3.960 -0.000 0.000 0.294 61 G C -2.116 172.808 174.900 0.040 0.000 1.380 61 G CA -0.618 44.501 45.100 0.031 0.000 0.811 61 G HN 0.488 nan 8.290 nan 0.000 0.519 62 D N -0.024 120.406 120.400 0.049 0.000 2.193 62 D HA 0.353 4.993 4.640 -0.000 0.000 0.244 62 D C 1.980 178.303 176.300 0.038 0.000 1.064 62 D CA -0.682 53.362 54.000 0.072 0.000 0.845 62 D CB 1.583 42.456 40.800 0.122 0.000 1.148 62 D HN 0.511 nan 8.370 nan 0.000 0.464 63 I N 0.933 121.514 120.570 0.018 0.000 2.700 63 I HA -0.062 4.108 4.170 -0.000 0.000 0.261 63 I C 1.404 177.478 176.117 -0.070 0.000 1.219 63 I CA 0.879 62.154 61.300 -0.042 0.000 1.463 63 I CB -0.092 37.862 38.000 -0.077 0.000 1.092 63 I HN 0.233 nan 8.210 nan 0.000 0.452 64 A N 0.484 123.272 122.820 -0.053 0.000 2.251 64 A HA -0.012 4.308 4.320 -0.000 0.000 0.209 64 A C 0.852 178.441 177.584 0.008 0.000 1.187 64 A CA 0.201 52.194 52.037 -0.073 0.000 0.823 64 A CB -0.447 18.430 19.000 -0.205 0.000 0.846 64 A HN 0.476 nan 8.150 nan 0.000 0.486 65 D N 0.688 121.102 120.400 0.023 0.000 2.453 65 D HA 0.468 5.108 4.640 -0.000 0.000 0.223 65 D C 1.204 177.507 176.300 0.005 0.000 1.183 65 D CA 0.453 54.471 54.000 0.031 0.000 0.933 65 D CB 0.845 41.667 40.800 0.038 0.000 1.038 65 D HN 0.145 nan 8.370 nan 0.000 0.513 66 A N 3.919 126.739 122.820 -0.000 0.000 1.933 66 A HA -0.191 4.129 4.320 -0.000 0.000 0.218 66 A C 1.946 179.529 177.584 -0.001 0.000 1.175 66 A CA 1.406 53.432 52.037 -0.019 0.000 0.628 66 A CB -0.363 18.623 19.000 -0.024 0.000 0.814 66 A HN 0.673 nan 8.150 nan 0.000 0.444 67 E N -0.696 119.511 120.200 0.011 0.000 2.072 67 E HA -0.180 4.169 4.350 -0.000 0.000 0.191 67 E C 1.894 178.504 176.600 0.016 0.000 0.985 67 E CA 1.245 57.655 56.400 0.017 0.000 0.801 67 E CB -0.163 29.549 29.700 0.019 0.000 0.750 67 E HN 0.472 nan 8.360 nan 0.000 0.452 68 L N 0.355 121.586 121.223 0.013 0.000 2.056 68 L HA -0.119 4.220 4.340 -0.000 0.000 0.207 68 L C 2.226 179.098 176.870 0.002 0.000 1.078 68 L CA 1.269 56.114 54.840 0.009 0.000 0.749 68 L CB -0.425 41.641 42.059 0.012 0.000 0.901 68 L HN 0.018 nan 8.230 nan 0.000 0.433 69 V N -0.026 119.886 119.914 -0.003 0.000 2.343 69 V HA -0.323 3.797 4.120 -0.000 0.000 0.247 69 V C 2.322 178.418 176.094 0.004 0.000 1.051 69 V CA 2.026 64.319 62.300 -0.013 0.000 1.036 69 V CB -0.770 31.033 31.823 -0.035 0.000 0.654 69 V HN 0.577 nan 8.190 nan 0.000 0.451 70 D N -0.186 120.233 120.400 0.033 0.000 2.123 70 D HA -0.229 4.410 4.640 -0.000 0.000 0.196 70 D C 2.256 178.571 176.300 0.025 0.000 0.992 70 D CA 1.527 55.587 54.000 0.100 0.000 0.833 70 D CB -0.114 40.751 40.800 0.108 0.000 0.954 70 D HN 0.325 nan 8.370 nan 0.000 0.455 71 K N -0.515 119.885 120.400 -0.001 0.000 2.057 71 K HA -0.050 4.270 4.320 -0.000 0.000 0.206 71 K C 2.158 178.716 176.600 -0.071 0.000 1.050 71 K CA 0.733 57.003 56.287 -0.027 0.000 0.935 71 K CB 0.003 32.499 32.500 -0.007 0.000 0.715 71 K HN 0.219 nan 8.250 nan 0.000 0.439 72 L N -0.151 121.037 121.223 -0.058 0.000 2.095 72 L HA -0.054 4.286 4.340 -0.000 0.000 0.204 72 L C 2.509 179.303 176.870 -0.127 0.000 1.080 72 L CA 0.954 55.757 54.840 -0.063 0.000 0.759 72 L CB -0.451 41.593 42.059 -0.025 0.000 0.914 72 L HN 0.191 nan 8.230 nan 0.000 0.439 73 A N 0.274 122.991 122.820 -0.172 0.000 1.969 73 A HA -0.087 4.232 4.320 -0.000 0.000 0.218 73 A C 2.498 179.700 177.584 -0.636 0.000 1.169 73 A CA 1.377 53.259 52.037 -0.259 0.000 0.635 73 A CB -0.552 18.381 19.000 -0.111 0.000 0.810 73 A HN 0.375 nan 8.150 nan 0.000 0.445 74 A N -0.235 122.065 122.820 -0.866 0.000 2.076 74 A HA -0.138 4.182 4.320 -0.000 0.000 0.220 74 A C 1.843 179.191 177.584 -0.393 0.000 1.160 74 A CA 1.679 53.145 52.037 -0.953 0.000 0.653 74 A CB -0.276 18.435 19.000 -0.482 0.000 0.801 74 A HN 0.545 nan 8.150 nan 0.000 0.455 75 K N -1.218 119.035 120.400 -0.245 0.000 2.387 75 K HA 0.456 4.775 4.320 -0.000 0.000 0.203 75 K C 0.147 176.712 176.600 -0.059 0.000 1.030 75 K CA 0.347 56.566 56.287 -0.113 0.000 1.099 75 K CB 0.724 33.180 32.500 -0.073 0.000 0.863 75 K HN 0.373 nan 8.250 nan 0.000 0.529 76 A N 1.744 124.519 122.820 -0.075 0.000 2.330 76 A HA 0.322 4.642 4.320 -0.000 0.000 0.329 76 A C -0.206 177.398 177.584 0.033 0.000 1.135 76 A CA -0.626 51.410 52.037 -0.002 0.000 0.817 76 A CB 0.796 19.790 19.000 -0.009 0.000 1.269 76 A HN 0.182 nan 8.150 nan 0.000 0.469 77 D N -0.731 119.722 120.400 0.089 0.000 2.433 77 D HA 0.482 5.122 4.640 -0.000 0.000 0.211 77 D C 0.125 176.467 176.300 0.069 0.000 1.114 77 D CA 0.755 54.844 54.000 0.149 0.000 0.837 77 D CB 0.492 41.449 40.800 0.261 0.000 0.984 77 D HN 0.822 nan 8.370 nan 0.000 0.505 78 A N -0.067 122.720 122.820 -0.055 0.000 2.605 78 A HA 0.641 4.961 4.320 -0.000 0.000 0.294 78 A C -1.731 175.779 177.584 -0.125 0.000 1.062 78 A CA -0.835 51.059 52.037 -0.239 0.000 0.682 78 A CB 1.003 19.589 19.000 -0.690 0.000 1.278 78 A HN 0.102 nan 8.150 nan 0.000 0.410 79 I N 1.356 121.849 120.570 -0.128 0.000 2.436 79 I HA 0.490 4.660 4.170 -0.000 0.000 0.289 79 I C -0.905 175.041 176.117 -0.284 0.000 1.010 79 I CA -0.994 60.233 61.300 -0.122 0.000 1.098 79 I CB 2.060 40.054 38.000 -0.011 0.000 1.266 79 I HN 0.325 nan 8.210 nan 0.000 0.434 80 V N 5.156 124.946 119.914 -0.207 0.000 2.378 80 V HA 0.252 4.372 4.120 -0.000 0.000 0.288 80 V C -0.562 175.390 176.094 -0.238 0.000 1.016 80 V CA -0.638 61.488 62.300 -0.290 0.000 0.840 80 V CB 1.197 32.892 31.823 -0.213 0.000 0.994 80 V HN 0.586 nan 8.190 nan 0.000 0.431 81 H N 4.622 123.338 119.070 -0.589 0.000 2.690 81 H HA 0.428 4.984 4.556 -0.000 0.000 0.280 81 H C -0.536 174.514 175.328 -0.463 0.000 1.138 81 H CA -0.920 54.873 56.048 -0.424 0.000 1.241 81 H CB 0.550 30.035 29.762 -0.461 0.000 1.394 81 H HN 0.594 nan 8.280 nan 0.000 0.489 82 Y N 2.556 122.781 120.300 -0.125 0.000 2.481 82 Y HA 0.371 4.920 4.550 -0.000 0.000 0.258 82 Y C 1.561 177.397 175.900 -0.107 0.000 1.103 82 Y CA 0.368 58.345 58.100 -0.205 0.000 1.287 82 Y CB 0.258 38.627 38.460 -0.151 0.000 1.108 82 Y HN 0.669 nan 8.280 nan 0.000 0.529 83 A N 1.485 124.442 122.820 0.229 0.000 2.524 83 A HA 0.539 4.859 4.320 -0.000 0.000 0.250 83 A C 0.279 177.956 177.584 0.154 0.000 1.078 83 A CA 0.715 52.872 52.037 0.200 0.000 0.761 83 A CB -0.656 18.481 19.000 0.229 0.000 1.012 83 A HN 0.355 nan 8.150 nan 0.000 0.500 84 A N 2.671 125.549 122.820 0.097 0.000 2.597 84 A HA 0.601 4.921 4.320 -0.000 0.000 0.292 84 A C -0.768 176.833 177.584 0.028 0.000 1.057 84 A CA -0.747 51.344 52.037 0.090 0.000 0.674 84 A CB 0.686 19.762 19.000 0.127 0.000 1.278 84 A HN 0.699 nan 8.150 nan 0.000 0.416 85 E N 1.390 121.544 120.200 -0.077 0.000 2.257 85 E HA 0.245 4.595 4.350 -0.000 0.000 0.278 85 E C 0.778 177.396 176.600 0.030 0.000 1.049 85 E CA 0.711 56.919 56.400 -0.320 0.000 0.876 85 E CB 1.107 30.064 29.700 -1.238 0.000 1.035 85 E HN 0.722 nan 8.360 nan 0.000 0.419 86 S N 2.258 118.017 115.700 0.098 0.000 2.539 86 S HA 0.006 4.475 4.470 -0.000 0.000 0.221 86 S C 0.376 174.836 174.600 -0.233 0.000 0.987 86 S CA -0.149 58.053 58.200 0.002 0.000 0.929 86 S CB 0.111 63.355 63.200 0.073 0.000 0.832 86 S HN 0.448 nan 8.310 nan 0.000 0.492 87 H N 2.218 121.302 119.070 0.022 0.000 2.551 87 H HA 0.534 5.090 4.556 -0.000 0.000 0.321 87 H C 0.782 176.112 175.328 0.003 0.000 1.028 87 H CA -1.071 54.981 56.048 0.008 0.000 1.215 87 H CB 0.636 30.486 29.762 0.147 0.000 1.414 87 H HN -0.015 nan 8.280 nan 0.000 0.480 88 N N 3.242 121.838 118.700 -0.173 0.000 2.061 88 N HA -0.183 4.556 4.740 -0.000 0.000 0.193 88 N C 0.707 176.018 175.510 -0.331 0.000 1.030 88 N CA 1.477 54.417 53.050 -0.184 0.000 0.856 88 N CB 0.228 38.696 38.487 -0.032 0.000 1.023 88 N HN 0.707 nan 8.380 nan 0.000 0.424 89 D N 0.949 120.970 120.400 -0.632 0.000 2.117 89 D HA -0.094 4.546 4.640 -0.000 0.000 0.197 89 D C 1.460 177.587 176.300 -0.289 0.000 0.987 89 D CA 0.775 54.523 54.000 -0.421 0.000 0.829 89 D CB -0.382 40.248 40.800 -0.284 0.000 0.961 89 D HN 0.263 nan 8.370 nan 0.000 0.460 90 N N 0.681 119.221 118.700 -0.266 0.000 2.166 90 N HA -0.134 4.606 4.740 -0.000 0.000 0.186 90 N C 1.912 177.403 175.510 -0.031 0.000 1.019 90 N CA 1.182 54.225 53.050 -0.011 0.000 0.856 90 N CB -0.446 38.161 38.487 0.200 0.000 0.993 90 N HN 0.204 nan 8.380 nan 0.000 0.426 91 S N 0.592 116.079 115.700 -0.355 0.000 2.423 91 S HA 0.014 4.484 4.470 -0.000 0.000 0.231 91 S C 1.972 176.358 174.600 -0.356 0.000 1.014 91 S CA 0.448 58.156 58.200 -0.821 0.000 0.965 91 S CB -0.445 61.927 63.200 -1.381 0.000 0.785 91 S HN 0.241 nan 8.310 nan 0.000 0.495 92 L N 1.133 122.218 121.223 -0.230 0.000 2.240 92 L HA 0.070 4.409 4.340 -0.000 0.000 0.211 92 L C 2.266 179.081 176.870 -0.092 0.000 1.106 92 L CA 0.694 55.450 54.840 -0.140 0.000 0.793 92 L CB -0.505 41.483 42.059 -0.119 0.000 0.927 92 L HN 0.320 nan 8.230 nan 0.000 0.446 93 N N -0.838 117.814 118.700 -0.080 0.000 2.336 93 N HA -0.049 4.691 4.740 -0.000 0.000 0.177 93 N C 0.094 175.594 175.510 -0.016 0.000 1.018 93 N CA 0.846 53.869 53.050 -0.044 0.000 0.878 93 N CB 0.222 38.681 38.487 -0.046 0.000 0.997 93 N HN 0.137 nan 8.380 nan 0.000 0.433 94 D N -0.914 119.491 120.400 0.009 0.000 2.318 94 D HA 0.218 4.858 4.640 -0.000 0.000 0.233 94 D C -2.367 174.014 176.300 0.135 0.000 1.348 94 D CA -1.421 52.616 54.000 0.061 0.000 0.983 94 D CB 1.522 42.367 40.800 0.074 0.000 1.416 94 D HN -0.145 nan 8.370 nan 0.000 0.558 95 P HA -0.070 nan 4.420 nan 0.000 0.226 95 P C 1.477 178.951 177.300 0.290 0.000 1.153 95 P CA 0.645 63.821 63.100 0.126 0.000 0.777 95 P CB 0.236 31.946 31.700 0.018 0.000 0.794 96 S N 1.020 116.844 115.700 0.206 0.000 2.365 96 S HA -0.104 4.365 4.470 -0.000 0.000 0.225 96 S C -0.269 174.458 174.600 0.211 0.000 1.039 96 S CA 1.586 59.889 58.200 0.172 0.000 1.033 96 S CB -2.402 60.859 63.200 0.103 0.000 0.887 96 S HN 0.184 nan 8.310 nan 0.000 0.447 97 P HA 0.053 nan 4.420 nan 0.000 0.223 97 P C 0.942 178.313 177.300 0.118 0.000 1.151 97 P CA 0.702 63.878 63.100 0.126 0.000 0.787 97 P CB -0.324 31.387 31.700 0.019 0.000 0.788 98 F N 0.159 120.209 119.950 0.167 0.000 2.146 98 F HA -0.122 4.405 4.527 -0.000 0.000 0.298 98 F C 2.573 178.474 175.800 0.169 0.000 1.096 98 F CA 0.981 59.088 58.000 0.178 0.000 1.275 98 F CB -1.152 37.947 39.000 0.165 0.000 1.008 98 F HN -0.223 nan 8.300 nan 0.000 0.480 99 I N -0.229 120.538 120.570 0.328 0.000 2.127 99 I HA -0.344 3.826 4.170 -0.000 0.000 0.241 99 I C 2.582 178.852 176.117 0.255 0.000 1.075 99 I CA 1.900 63.342 61.300 0.237 0.000 1.334 99 I CB -1.424 36.677 38.000 0.169 0.000 1.040 99 I HN 0.316 nan 8.210 nan 0.000 0.405 100 H N 0.950 120.112 119.070 0.154 0.000 2.270 100 H HA -0.147 4.408 4.556 -0.000 0.000 0.299 100 H C 2.073 177.476 175.328 0.124 0.000 1.077 100 H CA 2.505 58.628 56.048 0.126 0.000 1.294 100 H CB 0.191 30.006 29.762 0.088 0.000 1.371 100 H HN 0.211 nan 8.280 nan 0.000 0.491 101 T N 1.107 115.743 114.554 0.137 0.000 2.809 101 T HA -0.068 4.282 4.350 -0.000 0.000 0.260 101 T C 1.839 176.596 174.700 0.095 0.000 1.039 101 T CA 1.103 63.243 62.100 0.066 0.000 1.141 101 T CB -0.062 68.882 68.868 0.126 0.000 0.869 101 T HN 0.390 nan 8.240 nan 0.000 0.437 102 N N 0.445 119.243 118.700 0.162 0.000 2.250 102 N HA 0.087 4.826 4.740 -0.000 0.000 0.181 102 N C 1.305 176.952 175.510 0.228 0.000 1.017 102 N CA 0.740 53.912 53.050 0.203 0.000 0.866 102 N CB -0.297 38.328 38.487 0.229 0.000 0.985 102 N HN 0.313 nan 8.380 nan 0.000 0.429 103 F N 0.975 120.959 119.950 0.056 0.000 2.298 103 F HA 0.207 4.733 4.527 -0.000 0.000 0.282 103 F C 1.905 177.705 175.800 -0.000 0.000 1.045 103 F CA 0.317 58.328 58.000 0.019 0.000 1.280 103 F CB -0.095 38.909 39.000 0.007 0.000 1.114 103 F HN -0.206 nan 8.300 nan 0.000 0.546 104 I N 0.790 121.399 120.570 0.066 0.000 2.286 104 I HA -0.166 4.004 4.170 -0.000 0.000 0.248 104 I C 2.695 178.749 176.117 -0.104 0.000 1.115 104 I CA 1.576 62.855 61.300 -0.034 0.000 1.392 104 I CB -2.282 35.704 38.000 -0.023 0.000 1.065 104 I HN 0.323 nan 8.210 nan 0.000 0.418 105 G N 0.419 109.131 108.800 -0.147 0.000 2.418 105 G HA2 -0.221 3.738 3.960 -0.000 0.000 0.217 105 G HA3 -0.221 3.738 3.960 -0.000 0.000 0.217 105 G C 1.689 176.499 174.900 -0.150 0.000 1.158 105 G CA 1.315 46.329 45.100 -0.142 0.000 0.771 105 G HN 0.318 nan 8.290 nan 0.000 0.545 106 T N -0.006 114.503 114.554 -0.075 0.000 2.746 106 T HA -0.173 4.177 4.350 -0.000 0.000 0.267 106 T C 1.961 176.442 174.700 -0.365 0.000 1.039 106 T CA 1.345 63.388 62.100 -0.096 0.000 1.142 106 T CB -0.352 68.522 68.868 0.010 0.000 0.866 106 T HN 0.389 nan 8.240 nan 0.000 0.444 107 Y N 2.294 122.244 120.300 -0.582 0.000 2.165 107 Y HA -0.220 4.330 4.550 -0.000 0.000 0.286 107 Y C 2.464 178.087 175.900 -0.463 0.000 1.155 107 Y CA 1.685 59.379 58.100 -0.676 0.000 1.164 107 Y CB -0.978 37.103 38.460 -0.633 0.000 0.978 107 Y HN 0.115 nan 8.280 nan 0.000 0.513 108 T N 1.389 115.637 114.554 -0.511 0.000 2.746 108 T HA -0.155 4.195 4.350 -0.000 0.000 0.267 108 T C 2.013 176.463 174.700 -0.417 0.000 1.039 108 T CA 1.787 63.590 62.100 -0.495 0.000 1.142 108 T CB -0.491 68.237 68.868 -0.234 0.000 0.866 108 T HN 0.337 nan 8.240 nan 0.000 0.444 109 L N 0.286 121.295 121.223 -0.357 0.000 2.093 109 L HA 0.021 4.361 4.340 -0.000 0.000 0.208 109 L C 2.427 179.059 176.870 -0.396 0.000 1.085 109 L CA 0.903 55.585 54.840 -0.264 0.000 0.755 109 L CB -0.552 41.416 42.059 -0.152 0.000 0.904 109 L HN 0.236 nan 8.230 nan 0.000 0.435 110 L N -0.656 120.166 121.223 -0.667 0.000 2.093 110 L HA -0.162 4.178 4.340 -0.000 0.000 0.208 110 L C 2.714 179.319 176.870 -0.442 0.000 1.085 110 L CA 0.928 55.290 54.840 -0.796 0.000 0.755 110 L CB -0.423 40.932 42.059 -1.173 0.000 0.904 110 L HN 0.257 nan 8.230 nan 0.000 0.435 111 E N 0.116 120.044 120.200 -0.453 0.000 2.150 111 E HA -0.179 4.171 4.350 -0.000 0.000 0.193 111 E C 2.244 178.725 176.600 -0.199 0.000 0.985 111 E CA 1.289 57.522 56.400 -0.278 0.000 0.814 111 E CB -0.084 29.359 29.700 -0.427 0.000 0.752 111 E HN 0.473 nan 8.360 nan 0.000 0.466 112 A N 1.362 124.081 122.820 -0.169 0.000 1.897 112 A HA 0.001 4.321 4.320 -0.000 0.000 0.215 112 A C 2.416 180.037 177.584 0.063 0.000 1.181 112 A CA 1.667 53.700 52.037 -0.006 0.000 0.620 112 A CB -0.452 18.570 19.000 0.037 0.000 0.821 112 A HN 0.253 nan 8.150 nan 0.000 0.443 113 A N -0.046 122.763 122.820 -0.018 0.000 1.902 113 A HA -0.183 4.137 4.320 -0.000 0.000 0.217 113 A C 2.239 179.835 177.584 0.020 0.000 1.181 113 A CA 1.848 53.905 52.037 0.033 0.000 0.623 113 A CB -0.474 18.501 19.000 -0.042 0.000 0.818 113 A HN 0.574 nan 8.150 nan 0.000 0.443 114 R N -0.114 120.361 120.500 -0.041 0.000 2.075 114 R HA -0.128 4.212 4.340 -0.000 0.000 0.232 114 R C 2.249 178.474 176.300 -0.125 0.000 1.126 114 R CA 1.833 57.896 56.100 -0.062 0.000 0.963 114 R CB -0.272 29.966 30.300 -0.103 0.000 0.858 114 R HN 0.525 nan 8.270 nan 0.000 0.435 115 K N -0.613 119.673 120.400 -0.190 0.000 2.026 115 K HA -0.184 4.136 4.320 -0.000 0.000 0.208 115 K C 1.111 177.460 176.600 -0.418 0.000 1.048 115 K CA 1.680 57.751 56.287 -0.360 0.000 0.929 115 K CB -0.077 32.110 32.500 -0.522 0.000 0.713 115 K HN 0.304 nan 8.250 nan 0.000 0.439 116 Y N 0.165 120.448 120.300 -0.029 0.000 2.457 116 Y HA 0.081 4.630 4.550 -0.000 0.000 0.263 116 Y C -0.102 175.805 175.900 0.011 0.000 1.164 116 Y CA 0.124 58.220 58.100 -0.006 0.000 1.274 116 Y CB 0.491 38.951 38.460 -0.000 0.000 1.097 116 Y HN 0.216 nan 8.280 nan 0.000 0.523 117 D N 1.454 121.911 120.400 0.095 0.000 2.697 117 D HA -0.200 4.440 4.640 -0.000 0.000 0.238 117 D C -0.526 175.846 176.300 0.121 0.000 1.152 117 D CA 0.703 54.755 54.000 0.085 0.000 0.666 117 D CB -1.217 39.621 40.800 0.063 0.000 1.037 117 D HN 0.557 nan 8.370 nan 0.000 0.423 118 I N -3.065 117.586 120.570 0.134 0.000 2.910 118 I HA 0.692 4.862 4.170 -0.000 0.000 0.310 118 I C 0.524 176.712 176.117 0.119 0.000 1.043 118 I CA -1.593 59.785 61.300 0.131 0.000 1.053 118 I CB 1.433 39.505 38.000 0.120 0.000 1.242 118 I HN -0.115 nan 8.210 nan 0.000 0.452 119 R N 2.165 122.712 120.500 0.077 0.000 2.590 119 R HA 0.343 4.683 4.340 -0.000 0.000 0.274 119 R C -1.671 174.657 176.300 0.046 0.000 1.061 119 R CA 0.356 56.468 56.100 0.021 0.000 1.081 119 R CB 0.317 30.501 30.300 -0.194 0.000 0.984 119 R HN 0.657 nan 8.270 nan 0.000 0.448 120 F N 3.646 123.556 119.950 -0.067 0.000 2.562 120 F HA 0.287 4.814 4.527 -0.000 0.000 0.319 120 F C -1.346 174.436 175.800 -0.029 0.000 1.154 120 F CA -0.813 57.153 58.000 -0.057 0.000 0.931 120 F CB 1.208 40.184 39.000 -0.040 0.000 1.198 120 F HN 0.690 nan 8.300 nan 0.000 0.444 121 H N 5.077 123.811 119.070 -0.559 0.000 2.511 121 H HA 0.279 4.834 4.556 -0.000 0.000 0.328 121 H C -1.197 173.768 175.328 -0.604 0.000 1.044 121 H CA -0.409 55.382 56.048 -0.428 0.000 1.212 121 H CB 0.611 30.134 29.762 -0.397 0.000 1.428 121 H HN 0.674 nan 8.280 nan 0.000 0.483 122 H N 5.788 124.203 119.070 -1.092 0.000 2.594 122 H HA 0.297 4.853 4.556 -0.000 0.000 0.304 122 H C -0.845 174.007 175.328 -0.793 0.000 1.068 122 H CA -0.711 54.907 56.048 -0.716 0.000 1.308 122 H CB 0.637 30.282 29.762 -0.195 0.000 1.409 122 H HN 0.375 nan 8.280 nan 0.000 0.460 123 V N 5.252 124.544 119.914 -1.035 0.000 2.385 123 V HA 0.129 4.249 4.120 -0.000 0.000 0.269 123 V C 0.466 176.135 176.094 -0.707 0.000 1.043 123 V CA 0.004 61.850 62.300 -0.756 0.000 0.906 123 V CB 0.966 32.234 31.823 -0.924 0.000 0.995 123 V HN 0.725 nan 8.190 nan 0.000 0.467 124 S N 3.257 118.714 115.700 -0.405 0.000 2.851 124 S HA 0.771 5.241 4.470 -0.000 0.000 0.317 124 S C -0.384 174.125 174.600 -0.152 0.000 1.144 124 S CA -0.274 57.751 58.200 -0.292 0.000 0.862 124 S CB 2.291 65.359 63.200 -0.221 0.000 1.259 124 S HN 0.812 nan 8.310 nan 0.000 0.564 125 T N -0.059 114.384 114.554 -0.184 0.000 2.906 125 T HA 0.372 4.721 4.350 -0.000 0.000 0.295 125 T C 0.019 174.560 174.700 -0.265 0.000 1.075 125 T CA -0.260 61.744 62.100 -0.161 0.000 1.005 125 T CB 1.141 69.955 68.868 -0.090 0.000 1.136 125 T HN 0.697 nan 8.240 nan 0.000 0.498 126 D N 1.655 121.928 120.400 -0.211 0.000 2.309 126 D HA -0.100 4.540 4.640 -0.000 0.000 0.212 126 D C 1.166 177.173 176.300 -0.487 0.000 0.968 126 D CA 0.993 54.882 54.000 -0.186 0.000 0.882 126 D CB -0.082 40.741 40.800 0.039 0.000 0.918 126 D HN 0.779 nan 8.370 nan 0.000 0.503 127 E N 0.339 120.204 120.200 -0.558 0.000 2.338 127 E HA -0.089 4.261 4.350 -0.000 0.000 0.197 127 E C 2.262 178.562 176.600 -0.500 0.000 1.007 127 E CA 0.901 56.983 56.400 -0.530 0.000 0.849 127 E CB -0.004 29.535 29.700 -0.269 0.000 0.774 127 E HN 0.443 nan 8.360 nan 0.000 0.506 128 V N -1.582 117.885 119.914 -0.745 0.000 2.720 128 V HA -0.239 3.881 4.120 -0.000 0.000 0.256 128 V C 1.534 177.062 176.094 -0.943 0.000 1.082 128 V CA 1.393 63.107 62.300 -0.976 0.000 1.101 128 V CB -1.032 29.896 31.823 -1.491 0.000 0.693 128 V HN 0.229 nan 8.190 nan 0.000 0.479 129 Y N 1.799 121.715 120.300 -0.639 0.000 2.490 129 Y HA 0.522 5.072 4.550 -0.000 0.000 0.281 129 Y C 1.927 177.630 175.900 -0.329 0.000 1.174 129 Y CA 0.335 58.068 58.100 -0.612 0.000 1.295 129 Y CB 0.098 37.710 38.460 -1.414 0.000 1.062 129 Y HN 0.565 nan 8.280 nan 0.000 0.522 130 G N 1.191 109.942 108.800 -0.082 0.000 2.498 130 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.251 130 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.251 130 G C -1.003 174.157 174.900 0.433 0.000 1.170 130 G CA -0.083 45.105 45.100 0.146 0.000 0.944 130 G HN 0.325 nan 8.290 nan 0.000 0.567 131 D N 0.442 121.069 120.400 0.378 0.000 2.269 131 D HA 0.701 5.341 4.640 -0.000 0.000 0.244 131 D C -0.038 176.436 176.300 0.290 0.000 0.992 131 D CA -0.645 53.553 54.000 0.331 0.000 0.894 131 D CB 1.554 42.440 40.800 0.143 0.000 1.248 131 D HN 0.697 nan 8.370 nan 0.000 0.468 132 L N 0.166 121.474 121.223 0.141 0.000 2.354 132 L HA 0.505 4.845 4.340 -0.000 0.000 0.264 132 L C -2.412 174.448 176.870 -0.018 0.000 1.008 132 L CA -2.277 52.584 54.840 0.036 0.000 0.819 132 L CB 2.445 44.446 42.059 -0.098 0.000 1.339 132 L HN 0.196 nan 8.230 nan 0.000 0.420 133 P HA 0.144 nan 4.420 nan 0.000 0.271 133 P C -0.671 176.600 177.300 -0.048 0.000 1.233 133 P CA -0.330 62.753 63.100 -0.028 0.000 0.789 133 P CB 0.442 32.136 31.700 -0.010 0.000 0.951 134 L N 1.555 122.748 121.223 -0.050 0.000 2.473 134 L HA 0.167 4.507 4.340 -0.000 0.000 0.268 134 L C 2.142 178.993 176.870 -0.030 0.000 1.215 134 L CA -0.074 54.734 54.840 -0.054 0.000 0.823 134 L CB 0.071 42.096 42.059 -0.055 0.000 1.099 134 L HN 0.410 nan 8.230 nan 0.000 0.483 135 R N 0.925 121.408 120.500 -0.029 0.000 2.105 135 R HA -0.179 4.161 4.340 -0.000 0.000 0.239 135 R C 1.910 178.220 176.300 0.017 0.000 1.135 135 R CA 1.758 57.860 56.100 0.004 0.000 0.967 135 R CB -0.174 30.123 30.300 -0.006 0.000 0.861 135 R HN 0.745 nan 8.270 nan 0.000 0.442 136 E N 0.455 120.635 120.200 -0.032 0.000 2.333 136 E HA -0.172 4.178 4.350 -0.000 0.000 0.198 136 E C 0.275 176.878 176.600 0.006 0.000 1.007 136 E CA 1.093 57.461 56.400 -0.055 0.000 0.845 136 E CB 0.044 29.704 29.700 -0.066 0.000 0.766 136 E HN 0.275 nan 8.360 nan 0.000 0.507 137 D N 0.759 121.170 120.400 0.018 0.000 2.368 137 D HA 0.225 4.865 4.640 -0.000 0.000 0.218 137 D C -0.050 176.276 176.300 0.044 0.000 1.112 137 D CA 0.101 54.117 54.000 0.026 0.000 0.834 137 D CB 0.512 41.315 40.800 0.004 0.000 0.953 137 D HN 0.189 nan 8.370 nan 0.000 0.505 138 L N 1.177 122.449 121.223 0.081 0.000 2.346 138 L HA 0.278 4.618 4.340 -0.000 0.000 0.276 138 L C -1.455 175.459 176.870 0.074 0.000 1.006 138 L CA -1.919 52.959 54.840 0.062 0.000 0.817 138 L CB 2.519 44.604 42.059 0.042 0.000 1.272 138 L HN -0.322 nan 8.230 nan 0.000 0.421 139 P HA -0.096 nan 4.420 nan 0.000 0.218 139 P C 1.129 178.259 177.300 -0.282 0.000 1.149 139 P CA 0.921 63.961 63.100 -0.099 0.000 0.817 139 P CB 0.274 31.935 31.700 -0.065 0.000 0.785 140 G N -2.015 106.671 108.800 -0.191 0.000 3.141 140 G HA2 -0.046 3.914 3.960 -0.000 0.000 0.218 140 G HA3 -0.046 3.914 3.960 -0.000 0.000 0.218 140 G C -0.159 174.651 174.900 -0.150 0.000 1.170 140 G CA -0.160 44.810 45.100 -0.216 0.000 0.769 140 G HN 0.391 nan 8.290 nan 0.000 0.546 141 H N -1.580 117.481 119.070 -0.016 0.000 2.741 141 H HA -0.235 4.321 4.556 -0.000 0.000 0.305 141 H C 1.834 177.148 175.328 -0.024 0.000 1.169 141 H CA 0.323 56.360 56.048 -0.019 0.000 1.144 141 H CB -1.233 28.521 29.762 -0.013 0.000 1.397 141 H HN 0.862 nan 8.280 nan 0.000 0.409 142 G N -0.370 108.468 108.800 0.063 0.000 2.213 142 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.236 142 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.236 142 G C 0.579 175.476 174.900 -0.005 0.000 0.991 142 G CA 0.484 45.591 45.100 0.010 0.000 0.629 142 G HN 0.524 nan 8.290 nan 0.000 0.517 143 E N 0.305 120.506 120.200 0.003 0.000 2.498 143 E HA 0.421 4.771 4.350 -0.000 0.000 0.203 143 E C 1.525 178.115 176.600 -0.017 0.000 1.013 143 E CA 0.412 56.810 56.400 -0.004 0.000 0.927 143 E CB 0.493 30.198 29.700 0.008 0.000 1.012 143 E HN 0.594 nan 8.360 nan 0.000 0.482 144 G N 1.369 110.152 108.800 -0.028 0.000 2.547 144 G HA2 0.334 4.294 3.960 -0.000 0.000 0.291 144 G HA3 0.334 4.294 3.960 -0.000 0.000 0.291 144 G C -2.530 172.358 174.900 -0.020 0.000 1.211 144 G CA -1.360 43.722 45.100 -0.030 0.000 0.950 144 G HN -0.104 nan 8.290 nan 0.000 0.504 145 P HA 0.224 nan 4.420 nan 0.000 0.264 145 P C 0.854 178.151 177.300 -0.006 0.000 1.193 145 P CA 1.420 64.515 63.100 -0.009 0.000 0.763 145 P CB 0.986 32.682 31.700 -0.007 0.000 0.810 146 G N 2.733 111.532 108.800 -0.002 0.000 2.179 146 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.260 146 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.260 146 G C 0.745 175.644 174.900 -0.003 0.000 0.977 146 G CA -0.003 45.102 45.100 0.009 0.000 0.641 146 G HN 0.583 nan 8.290 nan 0.000 0.533 147 E N -0.128 120.057 120.200 -0.026 0.000 2.479 147 E HA 0.164 4.514 4.350 -0.000 0.000 0.193 147 E C 0.891 177.425 176.600 -0.111 0.000 1.049 147 E CA 0.416 56.786 56.400 -0.051 0.000 0.870 147 E CB 0.291 29.970 29.700 -0.036 0.000 0.944 147 E HN 0.511 nan 8.360 nan 0.000 0.492 148 K N 0.128 120.458 120.400 -0.116 0.000 2.480 148 K HA 0.378 4.698 4.320 -0.000 0.000 0.258 148 K C -0.760 175.767 176.600 -0.122 0.000 0.990 148 K CA -0.756 55.404 56.287 -0.211 0.000 0.857 148 K CB 1.623 34.050 32.500 -0.122 0.000 1.384 148 K HN -0.132 nan 8.250 nan 0.000 0.446 149 F N 1.282 121.175 119.950 -0.095 0.000 2.471 149 F HA 0.139 4.666 4.527 -0.000 0.000 0.353 149 F C 1.335 176.991 175.800 -0.241 0.000 1.113 149 F CA -0.038 57.808 58.000 -0.257 0.000 1.262 149 F CB 1.011 39.791 39.000 -0.367 0.000 1.146 149 F HN 0.530 nan 8.300 nan 0.000 0.578 150 T N -0.909 113.584 114.554 -0.102 0.000 2.888 150 T HA 0.588 4.938 4.350 -0.000 0.000 0.288 150 T C 0.637 175.243 174.700 -0.156 0.000 1.063 150 T CA -0.417 61.630 62.100 -0.088 0.000 1.010 150 T CB 1.584 70.430 68.868 -0.037 0.000 1.214 150 T HN 0.583 nan 8.240 nan 0.000 0.533 151 A N -0.372 122.417 122.820 -0.052 0.000 2.125 151 A HA 0.035 4.354 4.320 -0.000 0.000 0.219 151 A C 1.895 179.476 177.584 -0.005 0.000 1.156 151 A CA 1.141 53.174 52.037 -0.007 0.000 0.671 151 A CB -0.860 18.122 19.000 -0.030 0.000 0.794 151 A HN 0.885 nan 8.150 nan 0.000 0.459 152 E N -0.354 119.827 120.200 -0.032 0.000 2.479 152 E HA 0.017 4.367 4.350 -0.000 0.000 0.193 152 E C -0.254 176.341 176.600 -0.008 0.000 1.049 152 E CA -0.040 56.349 56.400 -0.018 0.000 0.870 152 E CB 0.140 29.829 29.700 -0.018 0.000 0.944 152 E HN 0.441 nan 8.360 nan 0.000 0.492 153 T N 1.555 116.076 114.554 -0.055 0.000 2.919 153 T HA 0.078 4.428 4.350 -0.000 0.000 0.302 153 T C 0.195 174.992 174.700 0.161 0.000 1.031 153 T CA -0.142 61.940 62.100 -0.030 0.000 1.127 153 T CB 0.460 69.155 68.868 -0.289 0.000 0.952 153 T HN 0.102 nan 8.240 nan 0.000 0.540 154 N N 1.602 120.397 118.700 0.158 0.000 2.454 154 N HA 0.002 4.742 4.740 -0.000 0.000 0.254 154 N C -0.672 175.053 175.510 0.358 0.000 1.228 154 N CA -0.236 52.926 53.050 0.187 0.000 0.900 154 N CB 0.255 38.815 38.487 0.121 0.000 1.089 154 N HN 0.438 nan 8.380 nan 0.000 0.449 155 Y N 1.527 121.860 120.300 0.054 0.000 2.511 155 Y HA 0.038 4.588 4.550 -0.000 0.000 0.332 155 Y C 0.774 176.654 175.900 -0.032 0.000 1.177 155 Y CA -0.150 57.921 58.100 -0.048 0.000 1.422 155 Y CB 0.248 38.649 38.460 -0.098 0.000 1.271 155 Y HN 0.543 nan 8.280 nan 0.000 0.550 156 N N 3.780 122.498 118.700 0.030 0.000 2.725 156 N HA 0.160 4.900 4.740 -0.000 0.000 0.225 156 N C -3.232 172.257 175.510 -0.034 0.000 1.465 156 N CA -1.288 51.774 53.050 0.020 0.000 0.830 156 N CB 0.756 39.281 38.487 0.063 0.000 1.460 156 N HN 0.150 nan 8.380 nan 0.000 0.538 157 P HA 0.211 nan 4.420 nan 0.000 0.275 157 P C 0.120 177.395 177.300 -0.041 0.000 1.228 157 P CA -0.055 62.976 63.100 -0.115 0.000 0.786 157 P CB 1.530 33.112 31.700 -0.195 0.000 0.927 158 S N 0.077 115.776 115.700 -0.002 0.000 2.483 158 S HA 0.049 4.518 4.470 -0.000 0.000 0.221 158 S C 1.085 175.688 174.600 0.005 0.000 1.030 158 S CA 0.258 58.473 58.200 0.025 0.000 0.925 158 S CB -0.069 63.178 63.200 0.078 0.000 0.795 158 S HN 0.757 nan 8.310 nan 0.000 0.511 159 S N 0.528 116.224 115.700 -0.007 0.000 2.677 159 S HA 0.529 4.999 4.470 -0.000 0.000 0.304 159 S C -2.690 171.869 174.600 -0.069 0.000 1.108 159 S CA -1.440 56.745 58.200 -0.025 0.000 0.944 159 S CB 1.368 64.577 63.200 0.014 0.000 1.127 159 S HN -0.187 nan 8.310 nan 0.000 0.511 160 P HA -0.086 nan 4.420 nan 0.000 0.216 160 P C 1.127 178.348 177.300 -0.132 0.000 1.150 160 P CA 1.001 64.016 63.100 -0.141 0.000 0.837 160 P CB -0.206 31.370 31.700 -0.206 0.000 0.786 161 Y N 1.529 121.645 120.300 -0.306 0.000 2.089 161 Y HA -0.240 4.310 4.550 -0.000 0.000 0.282 161 Y C 2.384 178.292 175.900 0.014 0.000 1.139 161 Y CA 2.405 60.448 58.100 -0.095 0.000 1.123 161 Y CB -1.133 37.297 38.460 -0.051 0.000 0.980 161 Y HN -0.001 nan 8.280 nan 0.000 0.493 162 S N -0.514 114.991 115.700 -0.326 0.000 2.428 162 S HA -0.159 4.311 4.470 -0.000 0.000 0.230 162 S C 2.123 176.515 174.600 -0.347 0.000 1.014 162 S CA 1.020 58.935 58.200 -0.475 0.000 0.957 162 S CB -1.177 61.893 63.200 -0.216 0.000 0.784 162 S HN 0.626 nan 8.310 nan 0.000 0.499 163 S N 2.532 118.107 115.700 -0.209 0.000 2.383 163 S HA -0.143 4.326 4.470 -0.000 0.000 0.227 163 S C 2.124 176.649 174.600 -0.126 0.000 1.026 163 S CA 1.423 59.531 58.200 -0.153 0.000 0.981 163 S CB -1.627 61.511 63.200 -0.104 0.000 0.818 163 S HN 0.800 nan 8.310 nan 0.000 0.472 164 T N -0.248 114.251 114.554 -0.091 0.000 2.904 164 T HA 0.119 4.469 4.350 -0.000 0.000 0.267 164 T C 1.795 176.500 174.700 0.008 0.000 1.059 164 T CA 0.588 62.694 62.100 0.010 0.000 1.137 164 T CB -0.276 68.674 68.868 0.138 0.000 0.879 164 T HN 0.151 nan 8.240 nan 0.000 0.467 165 K N 1.860 122.161 120.400 -0.166 0.000 2.026 165 K HA 0.202 4.522 4.320 -0.000 0.000 0.208 165 K C 2.755 179.283 176.600 -0.120 0.000 1.048 165 K CA 1.448 57.630 56.287 -0.176 0.000 0.929 165 K CB -1.124 31.122 32.500 -0.425 0.000 0.713 165 K HN 0.506 nan 8.250 nan 0.000 0.439 166 A N 1.518 124.200 122.820 -0.231 0.000 1.908 166 A HA -0.121 4.198 4.320 -0.000 0.000 0.218 166 A C 2.430 180.051 177.584 0.062 0.000 1.181 166 A CA 2.242 54.145 52.037 -0.224 0.000 0.627 166 A CB -0.678 18.109 19.000 -0.356 0.000 0.818 166 A HN 0.308 nan 8.150 nan 0.000 0.445 167 A N 0.307 123.164 122.820 0.062 0.000 1.908 167 A HA -0.129 4.191 4.320 -0.000 0.000 0.218 167 A C 2.540 180.315 177.584 0.318 0.000 1.181 167 A CA 2.521 54.660 52.037 0.171 0.000 0.627 167 A CB -0.999 18.020 19.000 0.032 0.000 0.818 167 A HN 1.051 nan 8.150 nan 0.000 0.445 168 S N 0.190 116.039 115.700 0.248 0.000 2.383 168 S HA -0.179 4.291 4.470 -0.000 0.000 0.227 168 S C 1.438 175.944 174.600 -0.157 0.000 1.026 168 S CA 1.479 59.715 58.200 0.060 0.000 0.981 168 S CB -0.560 62.716 63.200 0.128 0.000 0.818 168 S HN 0.482 nan 8.310 nan 0.000 0.472 169 D N 2.160 122.546 120.400 -0.024 0.000 2.104 169 D HA -0.018 4.622 4.640 -0.000 0.000 0.194 169 D C 2.003 178.304 176.300 0.001 0.000 0.994 169 D CA 1.188 55.176 54.000 -0.019 0.000 0.830 169 D CB -0.552 40.388 40.800 0.234 0.000 0.959 169 D HN 0.392 nan 8.370 nan 0.000 0.452 170 L N 0.769 122.046 121.223 0.091 0.000 2.042 170 L HA -0.146 4.194 4.340 -0.000 0.000 0.210 170 L C 2.565 179.468 176.870 0.054 0.000 1.076 170 L CA 0.998 55.870 54.840 0.053 0.000 0.749 170 L CB -0.718 41.391 42.059 0.084 0.000 0.893 170 L HN 0.153 nan 8.230 nan 0.000 0.432 171 I N -3.522 117.069 120.570 0.035 0.000 2.439 171 I HA -0.130 4.040 4.170 -0.000 0.000 0.251 171 I C 2.399 178.482 176.117 -0.057 0.000 1.139 171 I CA 0.782 62.090 61.300 0.014 0.000 1.438 171 I CB -0.541 37.317 38.000 -0.237 0.000 1.085 171 I HN -0.107 nan 8.210 nan 0.000 0.427 172 V N 1.973 121.762 119.914 -0.207 0.000 2.255 172 V HA -0.296 3.824 4.120 -0.000 0.000 0.247 172 V C 2.725 178.826 176.094 0.012 0.000 1.051 172 V CA 2.381 64.570 62.300 -0.184 0.000 1.018 172 V CB -0.917 30.750 31.823 -0.261 0.000 0.641 172 V HN 0.456 nan 8.190 nan 0.000 0.445 173 K N 0.077 120.484 120.400 0.012 0.000 2.097 173 K HA -0.075 4.244 4.320 -0.000 0.000 0.205 173 K C 2.286 178.923 176.600 0.061 0.000 1.050 173 K CA 1.383 57.686 56.287 0.027 0.000 0.938 173 K CB -0.403 32.086 32.500 -0.018 0.000 0.718 173 K HN 0.480 nan 8.250 nan 0.000 0.442 174 A N 0.864 123.753 122.820 0.116 0.000 1.930 174 A HA -0.146 4.174 4.320 -0.000 0.000 0.217 174 A C 1.832 179.480 177.584 0.107 0.000 1.175 174 A CA 0.806 52.904 52.037 0.102 0.000 0.627 174 A CB -0.753 18.343 19.000 0.161 0.000 0.815 174 A HN 0.455 nan 8.150 nan 0.000 0.443 175 W N 0.010 121.279 121.300 -0.051 0.000 2.402 175 W HA -0.123 4.537 4.660 -0.000 0.000 0.286 175 W C 2.046 178.580 176.519 0.024 0.000 1.221 175 W CA 1.232 58.611 57.345 0.056 0.000 1.257 175 W CB -0.033 29.461 29.460 0.056 0.000 1.120 175 W HN 0.216 nan 8.180 nan 0.000 0.551 176 V N 0.486 120.509 119.914 0.180 0.000 2.261 176 V HA -0.317 3.803 4.120 -0.000 0.000 0.246 176 V C 2.328 178.427 176.094 0.009 0.000 1.047 176 V CA 2.239 64.593 62.300 0.090 0.000 1.015 176 V CB -0.916 30.948 31.823 0.069 0.000 0.642 176 V HN 0.114 nan 8.190 nan 0.000 0.446 177 R N -0.234 120.241 120.500 -0.042 0.000 2.092 177 R HA -0.118 4.222 4.340 -0.000 0.000 0.231 177 R C 2.355 178.542 176.300 -0.188 0.000 1.119 177 R CA 1.866 57.909 56.100 -0.095 0.000 0.970 177 R CB -0.197 30.046 30.300 -0.096 0.000 0.864 177 R HN 0.478 nan 8.270 nan 0.000 0.440 178 S N -0.874 114.613 115.700 -0.356 0.000 2.421 178 S HA 0.098 4.568 4.470 -0.000 0.000 0.224 178 S C 0.976 175.204 174.600 -0.622 0.000 1.035 178 S CA 0.673 58.480 58.200 -0.655 0.000 0.953 178 S CB 0.181 62.672 63.200 -1.181 0.000 0.810 178 S HN 0.353 nan 8.310 nan 0.000 0.497 179 F N -0.052 119.789 119.950 -0.181 0.000 2.746 179 F HA 0.340 4.867 4.527 -0.000 0.000 0.320 179 F C 1.542 177.297 175.800 -0.075 0.000 1.097 179 F CA -0.056 57.846 58.000 -0.164 0.000 1.195 179 F CB 0.730 39.575 39.000 -0.257 0.000 1.056 179 F HN 0.264 nan 8.300 nan 0.000 0.562 180 G N 1.805 110.666 108.800 0.101 0.000 2.176 180 G HA2 -0.274 3.685 3.960 -0.000 0.000 0.252 180 G HA3 -0.274 3.685 3.960 -0.000 0.000 0.252 180 G C 0.102 175.065 174.900 0.106 0.000 1.024 180 G CA 0.036 45.185 45.100 0.081 0.000 0.755 180 G HN 0.127 nan 8.290 nan 0.000 0.507 181 V N 0.125 120.127 119.914 0.147 0.000 2.788 181 V HA 0.083 4.203 4.120 -0.000 0.000 0.307 181 V C 1.334 177.499 176.094 0.118 0.000 1.069 181 V CA 0.698 63.078 62.300 0.134 0.000 1.173 181 V CB 1.053 32.973 31.823 0.161 0.000 0.925 181 V HN 0.376 nan 8.190 nan 0.000 0.492 182 K N 4.076 124.548 120.400 0.120 0.000 2.502 182 K HA 0.480 4.800 4.320 -0.000 0.000 0.244 182 K C 0.025 176.721 176.600 0.160 0.000 1.249 182 K CA 0.020 56.384 56.287 0.129 0.000 1.193 182 K CB 0.298 32.875 32.500 0.128 0.000 1.674 182 K HN 0.768 nan 8.250 nan 0.000 0.302 183 A N 1.280 124.199 122.820 0.165 0.000 2.340 183 A HA 0.619 4.939 4.320 -0.000 0.000 0.331 183 A C 0.038 177.731 177.584 0.183 0.000 1.140 183 A CA -0.593 51.574 52.037 0.215 0.000 0.801 183 A CB 1.001 20.134 19.000 0.222 0.000 1.234 183 A HN 0.412 nan 8.150 nan 0.000 0.469 184 T N -0.931 113.744 114.554 0.200 0.000 2.906 184 T HA 0.784 5.134 4.350 -0.000 0.000 0.295 184 T C -0.513 174.228 174.700 0.068 0.000 1.075 184 T CA -0.496 61.740 62.100 0.226 0.000 1.005 184 T CB 1.087 70.181 68.868 0.377 0.000 1.136 184 T HN 0.468 nan 8.240 nan 0.000 0.498 185 I N 1.719 122.357 120.570 0.113 0.000 2.608 185 I HA 0.560 4.730 4.170 -0.000 0.000 0.295 185 I C -0.152 176.066 176.117 0.168 0.000 1.049 185 I CA -0.975 60.324 61.300 -0.001 0.000 1.063 185 I CB 2.516 40.572 38.000 0.092 0.000 1.248 185 I HN 0.934 nan 8.210 nan 0.000 0.424 186 S N 3.138 118.881 115.700 0.071 0.000 2.513 186 S HA 0.609 5.078 4.470 -0.000 0.000 0.299 186 S C -0.949 173.675 174.600 0.039 0.000 1.087 186 S CA -0.944 57.350 58.200 0.156 0.000 1.012 186 S CB 1.546 64.885 63.200 0.232 0.000 1.044 186 S HN 0.600 nan 8.310 nan 0.000 0.485 187 N N 0.775 119.506 118.700 0.052 0.000 2.483 187 N HA 0.538 5.277 4.740 -0.000 0.000 0.267 187 N C -1.370 174.130 175.510 -0.016 0.000 0.998 187 N CA -0.438 52.614 53.050 0.004 0.000 0.918 187 N CB 1.595 40.120 38.487 0.062 0.000 1.215 187 N HN 0.754 nan 8.380 nan 0.000 0.500 188 C N 2.162 121.402 119.300 -0.101 0.000 2.454 188 C HA 0.707 5.167 4.460 -0.000 0.000 0.336 188 C C 0.890 175.803 174.990 -0.128 0.000 1.189 188 C CA -0.376 58.516 59.018 -0.211 0.000 1.877 188 C CB 0.263 27.620 27.740 -0.638 0.000 2.348 188 C HN 0.882 nan 8.230 nan 0.000 0.508 189 S N 4.011 119.663 115.700 -0.079 0.000 2.640 189 S HA 0.302 4.772 4.470 -0.000 0.000 0.262 189 S C -0.187 174.392 174.600 -0.036 0.000 1.232 189 S CA -0.301 57.877 58.200 -0.035 0.000 0.988 189 S CB 0.021 63.232 63.200 0.018 0.000 1.034 189 S HN 0.824 nan 8.310 nan 0.000 0.569 190 N N 1.857 120.514 118.700 -0.073 0.000 2.447 190 N HA 0.149 4.889 4.740 -0.000 0.000 0.263 190 N C -0.370 175.288 175.510 0.247 0.000 1.226 190 N CA 0.402 53.424 53.050 -0.048 0.000 0.906 190 N CB -0.336 37.779 38.487 -0.620 0.000 1.060 190 N HN 0.513 nan 8.380 nan 0.000 0.468 191 N N 1.324 120.256 118.700 0.387 0.000 2.509 191 N HA 0.306 5.046 4.740 -0.000 0.000 0.287 191 N C -0.927 175.093 175.510 0.849 0.000 1.121 191 N CA -0.417 52.945 53.050 0.520 0.000 0.977 191 N CB 1.069 39.752 38.487 0.326 0.000 1.167 191 N HN 0.538 nan 8.380 nan 0.000 0.476 192 Y N -1.485 119.180 120.300 0.609 0.000 2.638 192 Y HA 0.817 5.367 4.550 -0.000 0.000 0.339 192 Y C -0.022 176.060 175.900 0.304 0.000 1.084 192 Y CA -0.727 57.655 58.100 0.471 0.000 1.068 192 Y CB 1.447 40.107 38.460 0.333 0.000 1.294 192 Y HN 0.704 nan 8.280 nan 0.000 0.480 193 G N 0.304 109.169 108.800 0.109 0.000 2.357 193 G HA2 0.259 4.219 3.960 -0.000 0.000 0.289 193 G HA3 0.259 4.219 3.960 -0.000 0.000 0.289 193 G C -3.454 171.318 174.900 -0.212 0.000 1.302 193 G CA -0.865 44.153 45.100 -0.137 0.000 0.936 193 G HN 0.603 nan 8.290 nan 0.000 0.513 194 P HA 0.330 nan 4.420 nan 0.000 0.272 194 P C -0.362 176.317 177.300 -1.036 0.000 1.223 194 P CA 0.789 62.959 63.100 -1.549 0.000 0.784 194 P CB 0.158 30.595 31.700 -2.105 0.000 0.923 195 Y N -3.283 116.023 120.300 -1.657 0.000 4.879 195 Y HA -0.223 4.326 4.550 -0.000 0.000 0.247 195 Y C 0.879 176.674 175.900 -0.175 0.000 0.985 195 Y CA 0.736 58.310 58.100 -0.877 0.000 2.000 195 Y CB -2.367 35.859 38.460 -0.389 0.000 1.519 195 Y HN 0.420 nan 8.280 nan 0.000 0.613 196 Q N 1.007 120.562 119.800 -0.409 0.000 2.314 196 Q HA 0.229 4.569 4.340 -0.000 0.000 0.258 196 Q C 0.257 176.385 176.000 0.214 0.000 0.954 196 Q CA -0.562 54.859 55.803 -0.637 0.000 0.890 196 Q CB 0.576 28.568 28.738 -1.242 0.000 1.210 196 Q HN 0.386 nan 8.270 nan 0.000 0.410 197 H N 2.900 122.068 119.070 0.162 0.000 2.897 197 H HA -0.011 4.545 4.556 -0.000 0.000 0.347 197 H C 1.059 176.466 175.328 0.132 0.000 1.068 197 H CA 0.524 56.711 56.048 0.231 0.000 1.426 197 H CB 0.587 30.442 29.762 0.154 0.000 1.410 197 H HN 0.698 nan 8.280 nan 0.000 0.597 198 I N 1.861 122.377 120.570 -0.090 0.000 3.334 198 I HA -0.042 4.128 4.170 -0.000 0.000 0.282 198 I C 1.356 177.532 176.117 0.099 0.000 1.313 198 I CA 0.827 62.089 61.300 -0.064 0.000 1.396 198 I CB -0.356 37.562 38.000 -0.138 0.000 1.054 198 I HN 0.723 nan 8.210 nan 0.000 0.495 199 E N 1.652 122.064 120.200 0.353 0.000 2.285 199 E HA -0.013 4.337 4.350 -0.000 0.000 0.194 199 E C 0.358 177.068 176.600 0.183 0.000 0.997 199 E CA 0.182 56.789 56.400 0.346 0.000 0.845 199 E CB 0.072 29.918 29.700 0.243 0.000 0.782 199 E HN 0.402 nan 8.360 nan 0.000 0.491 200 K N 0.551 120.996 120.400 0.075 0.000 2.126 200 K HA 0.055 4.375 4.320 -0.000 0.000 0.257 200 K C 0.632 177.306 176.600 0.123 0.000 1.007 200 K CA -0.450 55.881 56.287 0.075 0.000 0.928 200 K CB 0.465 33.011 32.500 0.076 0.000 1.013 200 K HN -0.030 nan 8.250 nan 0.000 0.473 201 F N 1.945 121.916 119.950 0.035 0.000 2.027 201 F HA -0.263 4.264 4.527 -0.000 0.000 0.297 201 F C 1.950 177.682 175.800 -0.114 0.000 1.129 201 F CA 1.683 59.665 58.000 -0.031 0.000 1.195 201 F CB -0.414 38.633 39.000 0.079 0.000 0.960 201 F HN 0.478 nan 8.300 nan 0.000 0.485 202 I N 0.961 121.332 120.570 -0.331 0.000 2.142 202 I HA -0.233 3.937 4.170 -0.000 0.000 0.240 202 I C -0.519 175.270 176.117 -0.546 0.000 1.078 202 I CA 1.594 62.529 61.300 -0.609 0.000 1.343 202 I CB -1.866 35.839 38.000 -0.492 0.000 1.046 202 I HN 0.166 nan 8.210 nan 0.000 0.405 203 P HA -0.185 nan 4.420 nan 0.000 0.218 203 P C 1.514 178.450 177.300 -0.607 0.000 1.149 203 P CA 1.477 64.111 63.100 -0.776 0.000 0.817 203 P CB -0.230 31.062 31.700 -0.681 0.000 0.785 204 R N 0.050 120.331 120.500 -0.364 0.000 2.091 204 R HA -0.165 4.175 4.340 -0.000 0.000 0.238 204 R C 2.390 178.495 176.300 -0.324 0.000 1.136 204 R CA 1.593 57.535 56.100 -0.263 0.000 0.959 204 R CB -0.314 29.922 30.300 -0.107 0.000 0.856 204 R HN 0.071 nan 8.270 nan 0.000 0.437 205 Q N 0.431 119.998 119.800 -0.388 0.000 2.049 205 Q HA -0.096 4.244 4.340 -0.000 0.000 0.198 205 Q C 2.257 178.051 176.000 -0.344 0.000 0.971 205 Q CA 1.366 56.958 55.803 -0.353 0.000 0.833 205 Q CB -0.304 28.160 28.738 -0.456 0.000 0.896 205 Q HN 0.445 nan 8.270 nan 0.000 0.434 206 I N 1.207 121.519 120.570 -0.429 0.000 2.127 206 I HA -0.288 3.882 4.170 -0.000 0.000 0.241 206 I C 2.401 178.283 176.117 -0.391 0.000 1.075 206 I CA 1.927 62.999 61.300 -0.380 0.000 1.334 206 I CB -0.671 37.070 38.000 -0.432 0.000 1.040 206 I HN 0.296 nan 8.210 nan 0.000 0.405 207 T N -2.104 112.082 114.554 -0.613 0.000 2.985 207 T HA -0.022 4.327 4.350 -0.000 0.000 0.266 207 T C 1.687 176.108 174.700 -0.464 0.000 1.076 207 T CA 0.820 62.398 62.100 -0.870 0.000 1.135 207 T CB -0.400 67.458 68.868 -1.683 0.000 0.890 207 T HN 0.161 nan 8.240 nan 0.000 0.480 208 N N 1.840 120.362 118.700 -0.297 0.000 2.069 208 N HA 0.017 4.757 4.740 -0.000 0.000 0.191 208 N C 1.776 177.242 175.510 -0.074 0.000 1.031 208 N CA 1.358 54.332 53.050 -0.128 0.000 0.852 208 N CB -0.548 37.879 38.487 -0.100 0.000 1.018 208 N HN 0.460 nan 8.380 nan 0.000 0.423 209 I N 0.616 121.126 120.570 -0.101 0.000 2.226 209 I HA -0.240 3.929 4.170 -0.000 0.000 0.245 209 I C 1.955 178.072 176.117 0.000 0.000 1.100 209 I CA 0.798 62.069 61.300 -0.049 0.000 1.374 209 I CB -0.224 37.734 38.000 -0.070 0.000 1.057 209 I HN 0.095 nan 8.210 nan 0.000 0.413 210 L N 0.409 121.640 121.223 0.012 0.000 2.083 210 L HA -0.186 4.154 4.340 -0.000 0.000 0.209 210 L C 2.471 179.456 176.870 0.191 0.000 1.083 210 L CA 1.283 56.203 54.840 0.133 0.000 0.752 210 L CB -0.606 41.623 42.059 0.284 0.000 0.899 210 L HN 0.248 nan 8.230 nan 0.000 0.433 211 A N -0.595 122.343 122.820 0.197 0.000 2.251 211 A HA 0.328 4.648 4.320 -0.000 0.000 0.209 211 A C 1.605 179.251 177.584 0.104 0.000 1.187 211 A CA 0.613 52.771 52.037 0.200 0.000 0.823 211 A CB -0.362 18.791 19.000 0.254 0.000 0.846 211 A HN 0.504 nan 8.150 nan 0.000 0.486 212 G N -0.661 108.180 108.800 0.068 0.000 2.182 212 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.248 212 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.248 212 G C -0.085 174.835 174.900 0.034 0.000 1.042 212 G CA 0.413 45.538 45.100 0.043 0.000 0.775 212 G HN 0.486 nan 8.290 nan 0.000 0.501 213 I N 0.055 120.642 120.570 0.029 0.000 2.530 213 I HA 0.365 4.535 4.170 -0.000 0.000 0.297 213 I C 0.386 176.509 176.117 0.010 0.000 1.011 213 I CA -1.259 60.055 61.300 0.024 0.000 1.107 213 I CB 1.557 39.575 38.000 0.031 0.000 1.285 213 I HN -0.191 nan 8.210 nan 0.000 0.436 214 K N 5.260 125.669 120.400 0.015 0.000 2.448 214 K HA 0.226 4.546 4.320 -0.000 0.000 0.278 214 K C -2.373 174.238 176.600 0.017 0.000 1.009 214 K CA -1.407 54.892 56.287 0.020 0.000 0.995 214 K CB 0.175 32.690 32.500 0.024 0.000 0.917 214 K HN 0.185 nan 8.250 nan 0.000 0.481 215 P HA 0.041 nan 4.420 nan 0.000 0.270 215 P C -0.570 176.769 177.300 0.065 0.000 1.227 215 P CA 0.147 63.246 63.100 -0.001 0.000 0.788 215 P CB 0.511 32.188 31.700 -0.037 0.000 0.926 216 K N 1.649 122.081 120.400 0.053 0.000 2.463 216 K HA 0.487 4.807 4.320 -0.000 0.000 0.255 216 K C -1.121 175.575 176.600 0.160 0.000 0.942 216 K CA -0.751 55.603 56.287 0.111 0.000 0.814 216 K CB 1.807 34.349 32.500 0.070 0.000 1.122 216 K HN 0.299 nan 8.250 nan 0.000 0.425 217 L N 3.327 124.668 121.223 0.197 0.000 2.333 217 L HA 0.406 4.746 4.340 -0.000 0.000 0.280 217 L C -1.201 175.877 176.870 0.346 0.000 1.004 217 L CA -0.589 54.359 54.840 0.180 0.000 0.820 217 L CB 0.708 42.778 42.059 0.019 0.000 1.247 217 L HN 0.339 nan 8.230 nan 0.000 0.416 218 Y N 5.383 125.731 120.300 0.079 0.000 2.537 218 Y HA 0.476 5.026 4.550 -0.000 0.000 0.339 218 Y C 1.319 177.303 175.900 0.140 0.000 1.066 218 Y CA 0.167 58.330 58.100 0.106 0.000 1.357 218 Y CB 0.238 38.770 38.460 0.120 0.000 1.175 218 Y HN 0.897 nan 8.280 nan 0.000 0.525 219 G N 3.916 112.879 108.800 0.271 0.000 2.583 219 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.292 219 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.292 219 G C 0.658 175.726 174.900 0.281 0.000 1.203 219 G CA 0.384 45.603 45.100 0.199 0.000 0.987 219 G HN 0.506 nan 8.290 nan 0.000 0.554 220 E N 2.020 122.331 120.200 0.184 0.000 2.465 220 E HA 0.362 4.712 4.350 -0.000 0.000 0.195 220 E C 1.625 178.325 176.600 0.167 0.000 1.028 220 E CA 1.177 57.710 56.400 0.222 0.000 0.899 220 E CB 0.046 29.797 29.700 0.084 0.000 1.032 220 E HN 2.112 nan 8.360 nan 0.000 0.468 221 G N 2.865 111.731 108.800 0.111 0.000 2.147 221 G HA2 -0.390 3.570 3.960 -0.000 0.000 0.244 221 G HA3 -0.390 3.570 3.960 -0.000 0.000 0.244 221 G C 1.026 175.907 174.900 -0.031 0.000 1.005 221 G CA 0.878 45.991 45.100 0.023 0.000 0.713 221 G HN 0.444 nan 8.290 nan 0.000 0.515 222 K N -0.232 120.138 120.400 -0.050 0.000 2.288 222 K HA 0.003 4.323 4.320 -0.000 0.000 0.201 222 K C 0.769 177.290 176.600 -0.132 0.000 1.048 222 K CA 0.775 57.016 56.287 -0.077 0.000 0.956 222 K CB -0.065 32.389 32.500 -0.076 0.000 0.746 222 K HN 0.408 nan 8.250 nan 0.000 0.461 223 N N 1.057 119.634 118.700 -0.206 0.000 2.454 223 N HA 0.076 4.816 4.740 -0.000 0.000 0.254 223 N C -1.275 174.122 175.510 -0.189 0.000 1.228 223 N CA -0.169 52.716 53.050 -0.276 0.000 0.900 223 N CB 1.340 39.560 38.487 -0.445 0.000 1.089 223 N HN -0.080 nan 8.380 nan 0.000 0.449 224 V N 2.522 122.312 119.914 -0.206 0.000 2.448 224 V HA 0.490 4.610 4.120 -0.000 0.000 0.295 224 V C -0.039 175.930 176.094 -0.208 0.000 1.025 224 V CA -0.708 61.500 62.300 -0.153 0.000 0.859 224 V CB 1.112 32.858 31.823 -0.130 0.000 0.988 224 V HN 0.590 nan 8.190 nan 0.000 0.431 225 R N 2.115 122.499 120.500 -0.194 0.000 2.803 225 R HA 0.491 4.830 4.340 -0.000 0.000 0.276 225 R C -1.116 174.898 176.300 -0.478 0.000 0.978 225 R CA -0.871 55.005 56.100 -0.372 0.000 0.939 225 R CB 2.026 31.904 30.300 -0.703 0.000 1.179 225 R HN 0.655 nan 8.270 nan 0.000 0.472 226 D N 1.504 121.666 120.400 -0.395 0.000 2.473 226 D HA 0.197 4.837 4.640 -0.000 0.000 0.226 226 D C -0.800 175.393 176.300 -0.178 0.000 1.089 226 D CA -0.415 53.472 54.000 -0.189 0.000 0.883 226 D CB 0.334 41.110 40.800 -0.039 0.000 1.029 226 D HN 0.220 nan 8.370 nan 0.000 0.517 227 W N 3.924 125.275 121.300 0.085 0.000 2.272 227 W HA 0.440 5.099 4.660 -0.000 0.000 0.318 227 W C 0.498 177.242 176.519 0.375 0.000 1.255 227 W CA -0.705 56.771 57.345 0.218 0.000 1.200 227 W CB 0.925 30.397 29.460 0.020 0.000 1.170 227 W HN 0.219 nan 8.180 nan 0.000 0.549 228 I N 3.144 124.138 120.570 0.706 0.000 2.533 228 I HA 0.212 4.382 4.170 -0.000 0.000 0.290 228 I C -0.123 176.274 176.117 0.468 0.000 1.056 228 I CA -0.996 60.643 61.300 0.564 0.000 1.057 228 I CB 1.284 39.494 38.000 0.350 0.000 1.240 228 I HN 0.400 nan 8.210 nan 0.000 0.423 229 H N 4.937 124.107 119.070 0.165 0.000 2.848 229 H HA -0.012 4.544 4.556 -0.000 0.000 0.341 229 H C 0.816 176.082 175.328 -0.103 0.000 1.060 229 H CA 1.115 56.960 56.048 -0.338 0.000 1.444 229 H CB 1.737 31.254 29.762 -0.408 0.000 1.446 229 H HN 0.829 nan 8.280 nan 0.000 0.583 230 T N 2.859 117.043 114.554 -0.616 0.000 2.849 230 T HA -0.161 4.189 4.350 -0.000 0.000 0.270 230 T C 1.469 176.056 174.700 -0.188 0.000 1.066 230 T CA 1.868 63.753 62.100 -0.359 0.000 1.130 230 T CB -0.118 68.387 68.868 -0.605 0.000 0.864 230 T HN 0.692 nan 8.240 nan 0.000 0.481 231 N N 0.314 118.894 118.700 -0.199 0.000 2.223 231 N HA -0.109 4.630 4.740 -0.000 0.000 0.185 231 N C 1.355 177.012 175.510 0.245 0.000 1.016 231 N CA 1.297 54.385 53.050 0.062 0.000 0.863 231 N CB -0.075 38.453 38.487 0.069 0.000 0.983 231 N HN 0.438 nan 8.380 nan 0.000 0.429 232 D N -0.276 120.341 120.400 0.362 0.000 2.183 232 D HA -0.112 4.528 4.640 -0.000 0.000 0.203 232 D C 1.560 178.191 176.300 0.551 0.000 0.969 232 D CA 0.798 55.111 54.000 0.520 0.000 0.842 232 D CB -0.245 40.891 40.800 0.559 0.000 0.957 232 D HN 0.455 nan 8.370 nan 0.000 0.484 233 H N 0.094 119.294 119.070 0.215 0.000 2.357 233 H HA -0.053 4.503 4.556 -0.000 0.000 0.301 233 H C 1.976 177.341 175.328 0.062 0.000 1.082 233 H CA 1.107 57.208 56.048 0.087 0.000 1.342 233 H CB 0.481 30.251 29.762 0.014 0.000 1.389 233 H HN -0.053 nan 8.280 nan 0.000 0.511 234 S N -0.425 115.353 115.700 0.130 0.000 2.359 234 S HA -0.185 4.284 4.470 -0.000 0.000 0.224 234 S C 2.324 176.897 174.600 -0.046 0.000 1.035 234 S CA 1.826 60.061 58.200 0.060 0.000 1.018 234 S CB -0.417 62.765 63.200 -0.030 0.000 0.876 234 S HN 0.736 nan 8.310 nan 0.000 0.448 235 T N -0.105 114.441 114.554 -0.014 0.000 2.867 235 T HA 0.011 4.361 4.350 -0.000 0.000 0.268 235 T C 1.943 176.800 174.700 0.263 0.000 1.057 235 T CA 1.296 63.454 62.100 0.096 0.000 1.136 235 T CB -0.875 68.170 68.868 0.295 0.000 0.874 235 T HN 0.367 nan 8.240 nan 0.000 0.466 236 G N 1.250 110.126 108.800 0.127 0.000 2.421 236 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.216 236 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.216 236 G C 1.636 176.371 174.900 -0.275 0.000 1.171 236 G CA 0.908 45.737 45.100 -0.452 0.000 0.775 236 G HN 0.465 nan 8.290 nan 0.000 0.543 237 V N 0.044 119.861 119.914 -0.162 0.000 2.295 237 V HA -0.162 3.958 4.120 -0.000 0.000 0.246 237 V C 2.318 178.286 176.094 -0.211 0.000 1.049 237 V CA 1.754 63.861 62.300 -0.322 0.000 1.024 237 V CB -0.610 30.969 31.823 -0.406 0.000 0.648 237 V HN 0.624 nan 8.190 nan 0.000 0.447 238 W N 0.879 122.162 121.300 -0.027 0.000 2.318 238 W HA -0.288 4.372 4.660 -0.000 0.000 0.313 238 W C 2.469 178.988 176.519 -0.001 0.000 1.221 238 W CA 2.466 59.866 57.345 0.092 0.000 1.266 238 W CB -0.304 29.272 29.460 0.195 0.000 1.150 238 W HN 0.320 nan 8.180 nan 0.000 0.496 239 A N 0.502 123.354 122.820 0.054 0.000 1.902 239 A HA -0.185 4.135 4.320 -0.000 0.000 0.217 239 A C 2.019 179.454 177.584 -0.249 0.000 1.181 239 A CA 1.948 53.966 52.037 -0.031 0.000 0.623 239 A CB -1.056 17.982 19.000 0.062 0.000 0.818 239 A HN 0.328 nan 8.150 nan 0.000 0.443 240 I N -0.801 119.531 120.570 -0.397 0.000 2.252 240 I HA -0.215 3.955 4.170 -0.000 0.000 0.245 240 I C 2.414 178.295 176.117 -0.393 0.000 1.102 240 I CA 1.150 62.141 61.300 -0.514 0.000 1.385 240 I CB -0.317 37.305 38.000 -0.630 0.000 1.064 240 I HN 0.401 nan 8.210 nan 0.000 0.414 241 L N 0.780 121.714 121.223 -0.480 0.000 2.017 241 L HA -0.209 4.131 4.340 -0.000 0.000 0.208 241 L C 2.581 179.319 176.870 -0.220 0.000 1.073 241 L CA 2.612 57.212 54.840 -0.401 0.000 0.745 241 L CB -0.900 40.846 42.059 -0.521 0.000 0.894 241 L HN 0.440 nan 8.230 nan 0.000 0.432 242 T N -4.562 109.785 114.554 -0.344 0.000 3.051 242 T HA 0.037 4.387 4.350 -0.000 0.000 0.255 242 T C 1.496 176.135 174.700 -0.101 0.000 1.085 242 T CA 0.732 62.705 62.100 -0.212 0.000 1.109 242 T CB -0.084 68.546 68.868 -0.398 0.000 0.921 242 T HN 0.407 nan 8.240 nan 0.000 0.488 243 K N 0.660 120.995 120.400 -0.108 0.000 2.477 243 K HA 0.327 4.646 4.320 -0.000 0.000 0.208 243 K C 1.141 177.719 176.600 -0.037 0.000 1.117 243 K CA -0.255 56.002 56.287 -0.049 0.000 1.039 243 K CB 1.084 33.568 32.500 -0.028 0.000 0.937 243 K HN 0.337 nan 8.250 nan 0.000 0.570 244 G N 1.794 110.546 108.800 -0.080 0.000 2.594 244 G HA2 0.085 4.045 3.960 -0.000 0.000 0.243 244 G HA3 0.085 4.045 3.960 -0.000 0.000 0.243 244 G C -0.672 174.315 174.900 0.144 0.000 1.229 244 G CA -0.278 44.821 45.100 -0.002 0.000 0.843 244 G HN 0.126 nan 8.290 nan 0.000 0.578 245 R N 1.304 121.964 120.500 0.267 0.000 2.297 245 R HA 0.279 4.619 4.340 -0.000 0.000 0.308 245 R C 0.367 176.769 176.300 0.170 0.000 1.029 245 R CA -0.880 55.329 56.100 0.182 0.000 0.929 245 R CB 0.426 30.819 30.300 0.155 0.000 1.046 245 R HN 0.282 nan 8.270 nan 0.000 0.461 246 M N 3.131 122.805 119.600 0.123 0.000 2.251 246 M HA 0.083 4.563 4.480 -0.000 0.000 0.343 246 M C 1.341 177.694 176.300 0.089 0.000 1.245 246 M CA 1.256 56.624 55.300 0.113 0.000 1.061 246 M CB 0.171 32.828 32.600 0.095 0.000 1.723 246 M HN 1.010 nan 8.290 nan 0.000 0.449 247 G N 2.295 111.151 108.800 0.092 0.000 2.199 247 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.254 247 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.254 247 G C 0.178 175.095 174.900 0.028 0.000 0.982 247 G CA -0.159 44.975 45.100 0.056 0.000 0.632 247 G HN 0.602 nan 8.290 nan 0.000 0.529 248 E N 0.713 120.932 120.200 0.031 0.000 2.283 248 E HA 0.546 4.895 4.350 -0.000 0.000 0.271 248 E C -0.215 176.326 176.600 -0.099 0.000 1.031 248 E CA -0.052 56.286 56.400 -0.104 0.000 0.868 248 E CB 1.206 30.745 29.700 -0.269 0.000 1.094 248 E HN 0.130 nan 8.360 nan 0.000 0.401 249 T N 2.151 116.580 114.554 -0.208 0.000 2.794 249 T HA 0.455 4.805 4.350 -0.000 0.000 0.280 249 T C -0.843 173.685 174.700 -0.286 0.000 0.987 249 T CA -0.374 61.668 62.100 -0.097 0.000 0.993 249 T CB 0.148 69.013 68.868 -0.005 0.000 0.939 249 T HN 0.194 nan 8.240 nan 0.000 0.449 250 Y N 1.976 122.313 120.300 0.061 0.000 2.409 250 Y HA 0.586 5.136 4.550 -0.000 0.000 0.343 250 Y C -0.470 175.439 175.900 0.015 0.000 0.973 250 Y CA -1.286 56.829 58.100 0.026 0.000 1.064 250 Y CB 1.196 39.647 38.460 -0.016 0.000 1.207 250 Y HN 0.356 nan 8.280 nan 0.000 0.452 251 L N 4.383 125.696 121.223 0.150 0.000 2.307 251 L HA 0.510 4.850 4.340 -0.000 0.000 0.282 251 L C -0.523 176.349 176.870 0.004 0.000 1.051 251 L CA -0.383 54.514 54.840 0.095 0.000 0.804 251 L CB 0.967 43.091 42.059 0.109 0.000 1.197 251 L HN 0.477 nan 8.230 nan 0.000 0.431 252 I N 2.163 122.691 120.570 -0.070 0.000 2.406 252 I HA 0.798 4.968 4.170 -0.000 0.000 0.290 252 I C 0.306 176.404 176.117 -0.032 0.000 0.999 252 I CA -0.323 60.850 61.300 -0.211 0.000 1.124 252 I CB 1.810 39.596 38.000 -0.357 0.000 1.289 252 I HN 0.665 nan 8.210 nan 0.000 0.441 253 G N 3.412 112.291 108.800 0.132 0.000 2.601 253 G HA2 0.598 4.558 3.960 -0.000 0.000 0.291 253 G HA3 0.598 4.558 3.960 -0.000 0.000 0.291 253 G C -1.031 174.093 174.900 0.373 0.000 1.456 253 G CA -0.179 45.053 45.100 0.220 0.000 0.804 253 G HN 0.644 nan 8.290 nan 0.000 0.499 254 A N 0.289 123.292 122.820 0.305 0.000 2.610 254 A HA 0.580 4.900 4.320 -0.000 0.000 0.291 254 A C 0.455 178.160 177.584 0.202 0.000 1.116 254 A CA 0.862 53.068 52.037 0.281 0.000 0.963 254 A CB -0.134 19.060 19.000 0.324 0.000 1.220 254 A HN 1.435 nan 8.150 nan 0.000 0.530 255 D N -0.623 119.875 120.400 0.163 0.000 2.737 255 D HA -0.153 4.487 4.640 -0.000 0.000 0.238 255 D C 0.662 177.029 176.300 0.112 0.000 1.157 255 D CA 1.350 55.417 54.000 0.113 0.000 0.694 255 D CB -1.270 39.589 40.800 0.097 0.000 1.021 255 D HN 0.571 nan 8.370 nan 0.000 0.420 256 G N 1.285 110.156 108.800 0.119 0.000 4.432 256 G HA2 0.284 4.243 3.960 -0.000 0.000 0.294 256 G HA3 0.284 4.243 3.960 -0.000 0.000 0.294 256 G C 0.064 174.997 174.900 0.056 0.000 1.141 256 G CA -0.530 44.641 45.100 0.119 0.000 0.895 256 G HN 0.303 nan 8.290 nan 0.000 0.548 257 E N 1.386 121.598 120.200 0.020 0.000 2.376 257 E HA 0.313 4.663 4.350 -0.000 0.000 0.266 257 E C -0.170 176.428 176.600 -0.003 0.000 1.009 257 E CA 0.583 56.976 56.400 -0.012 0.000 0.902 257 E CB 0.795 30.477 29.700 -0.029 0.000 0.972 257 E HN 0.166 nan 8.360 nan 0.000 0.439 258 K N 2.292 122.710 120.400 0.031 0.000 2.527 258 K HA 0.204 4.523 4.320 -0.000 0.000 0.260 258 K C -0.819 175.819 176.600 0.063 0.000 0.937 258 K CA -1.058 55.246 56.287 0.029 0.000 0.826 258 K CB 1.638 34.115 32.500 -0.039 0.000 1.359 258 K HN 0.513 nan 8.250 nan 0.000 0.434 259 N N 0.049 118.764 118.700 0.025 0.000 2.445 259 N HA 0.068 4.808 4.740 -0.000 0.000 0.264 259 N C 0.171 175.718 175.510 0.061 0.000 1.227 259 N CA -0.070 52.987 53.050 0.012 0.000 0.963 259 N CB 0.317 38.788 38.487 -0.027 0.000 1.188 259 N HN 0.560 nan 8.380 nan 0.000 0.491 260 N N -0.239 118.467 118.700 0.011 0.000 2.166 260 N HA -0.200 4.539 4.740 -0.000 0.000 0.186 260 N C 1.072 176.645 175.510 0.105 0.000 1.019 260 N CA 0.866 53.929 53.050 0.022 0.000 0.856 260 N CB -0.079 38.225 38.487 -0.305 0.000 0.993 260 N HN 0.540 nan 8.380 nan 0.000 0.426 261 K N 2.082 122.490 120.400 0.013 0.000 2.057 261 K HA -0.195 4.125 4.320 -0.000 0.000 0.207 261 K C 1.845 178.432 176.600 -0.021 0.000 1.049 261 K CA 1.364 57.633 56.287 -0.030 0.000 0.931 261 K CB -0.159 32.333 32.500 -0.013 0.000 0.714 261 K HN 0.312 nan 8.250 nan 0.000 0.440 262 E N -0.418 119.788 120.200 0.011 0.000 2.072 262 E HA -0.132 4.217 4.350 -0.000 0.000 0.191 262 E C 1.649 178.259 176.600 0.017 0.000 0.985 262 E CA 1.396 57.802 56.400 0.010 0.000 0.801 262 E CB -0.096 29.611 29.700 0.012 0.000 0.750 262 E HN 0.077 nan 8.360 nan 0.000 0.452 263 V N 1.136 121.084 119.914 0.056 0.000 2.295 263 V HA -0.225 3.894 4.120 -0.000 0.000 0.246 263 V C 2.465 178.522 176.094 -0.061 0.000 1.049 263 V CA 1.609 63.931 62.300 0.037 0.000 1.024 263 V CB -0.622 31.252 31.823 0.085 0.000 0.648 263 V HN 0.359 nan 8.190 nan 0.000 0.447 264 L N 0.488 121.685 121.223 -0.043 0.000 2.046 264 L HA -0.166 4.174 4.340 -0.000 0.000 0.208 264 L C 2.360 179.131 176.870 -0.165 0.000 1.077 264 L CA 1.944 56.682 54.840 -0.170 0.000 0.747 264 L CB -0.827 41.120 42.059 -0.186 0.000 0.896 264 L HN 0.382 nan 8.230 nan 0.000 0.432 265 E N -0.793 119.333 120.200 -0.123 0.000 2.118 265 E HA -0.259 4.091 4.350 -0.000 0.000 0.195 265 E C 2.119 178.684 176.600 -0.059 0.000 0.992 265 E CA 1.348 57.701 56.400 -0.079 0.000 0.804 265 E CB -0.294 29.380 29.700 -0.043 0.000 0.741 265 E HN 0.386 nan 8.360 nan 0.000 0.458 266 L N 0.928 122.119 121.223 -0.053 0.000 2.056 266 L HA -0.138 4.202 4.340 -0.000 0.000 0.207 266 L C 2.014 178.827 176.870 -0.096 0.000 1.078 266 L CA 1.442 56.252 54.840 -0.051 0.000 0.749 266 L CB -0.211 41.842 42.059 -0.011 0.000 0.901 266 L HN 0.127 nan 8.230 nan 0.000 0.433 267 I N -1.233 119.252 120.570 -0.142 0.000 2.226 267 I HA -0.346 3.824 4.170 -0.000 0.000 0.245 267 I C 2.348 178.391 176.117 -0.123 0.000 1.100 267 I CA 1.328 62.525 61.300 -0.172 0.000 1.374 267 I CB -0.336 37.512 38.000 -0.253 0.000 1.057 267 I HN 0.244 nan 8.210 nan 0.000 0.413 268 L N 0.174 121.335 121.223 -0.103 0.000 2.046 268 L HA -0.222 4.118 4.340 -0.000 0.000 0.208 268 L C 2.736 179.581 176.870 -0.043 0.000 1.077 268 L CA 1.345 56.149 54.840 -0.061 0.000 0.747 268 L CB -0.638 41.401 42.059 -0.033 0.000 0.896 268 L HN 0.307 nan 8.230 nan 0.000 0.432 269 E N 0.903 121.078 120.200 -0.041 0.000 2.047 269 E HA -0.231 4.119 4.350 -0.000 0.000 0.191 269 E C 2.100 178.679 176.600 -0.034 0.000 0.987 269 E CA 1.367 57.750 56.400 -0.028 0.000 0.799 269 E CB 0.088 29.774 29.700 -0.023 0.000 0.752 269 E HN 0.422 nan 8.360 nan 0.000 0.449 270 K N -0.313 120.057 120.400 -0.051 0.000 2.209 270 K HA -0.047 4.273 4.320 -0.000 0.000 0.204 270 K C 1.991 178.564 176.600 -0.044 0.000 1.048 270 K CA 1.221 57.477 56.287 -0.052 0.000 0.940 270 K CB -0.051 32.403 32.500 -0.077 0.000 0.729 270 K HN 0.217 nan 8.250 nan 0.000 0.451 271 M N -0.416 119.156 119.600 -0.048 0.000 2.494 271 M HA 0.124 4.604 4.480 -0.000 0.000 0.232 271 M C 0.522 176.808 176.300 -0.023 0.000 1.137 271 M CA 0.226 55.503 55.300 -0.037 0.000 1.012 271 M CB 0.875 33.446 32.600 -0.050 0.000 1.567 271 M HN 0.317 nan 8.290 nan 0.000 0.486 272 G N 1.261 110.049 108.800 -0.020 0.000 2.198 272 G HA2 -0.187 3.772 3.960 -0.000 0.000 0.257 272 G HA3 -0.187 3.772 3.960 -0.000 0.000 0.257 272 G C -0.180 174.716 174.900 -0.006 0.000 1.042 272 G CA -0.046 45.047 45.100 -0.011 0.000 0.791 272 G HN 0.438 nan 8.290 nan 0.000 0.502 273 Q N -0.493 119.303 119.800 -0.008 0.000 2.226 273 Q HA 0.486 4.825 4.340 -0.000 0.000 0.256 273 Q C -2.260 173.747 176.000 0.010 0.000 0.962 273 Q CA -1.820 53.984 55.803 0.001 0.000 0.887 273 Q CB 1.410 30.147 28.738 -0.000 0.000 1.282 273 Q HN 0.182 nan 8.270 nan 0.000 0.449 274 P HA -0.023 nan 4.420 nan 0.000 0.267 274 P C 0.447 177.777 177.300 0.051 0.000 1.200 274 P CA 0.126 63.242 63.100 0.027 0.000 0.772 274 P CB 0.493 32.206 31.700 0.022 0.000 0.855 275 K N 1.813 122.247 120.400 0.056 0.000 2.360 275 K HA -0.173 4.147 4.320 -0.000 0.000 0.201 275 K C 0.403 177.107 176.600 0.173 0.000 1.046 275 K CA 1.697 58.036 56.287 0.087 0.000 0.940 275 K CB -0.365 32.175 32.500 0.067 0.000 0.748 275 K HN 0.400 nan 8.250 nan 0.000 0.465 276 D N 0.462 120.936 120.400 0.124 0.000 2.402 276 D HA 0.093 4.733 4.640 -0.000 0.000 0.216 276 D C 0.161 176.449 176.300 -0.019 0.000 1.128 276 D CA -0.298 53.748 54.000 0.076 0.000 0.833 276 D CB 0.480 41.283 40.800 0.004 0.000 0.971 276 D HN 0.246 nan 8.370 nan 0.000 0.503 277 A N 0.745 123.624 122.820 0.098 0.000 3.168 277 A HA 0.490 4.810 4.320 -0.000 0.000 0.260 277 A C -0.857 176.797 177.584 0.117 0.000 1.598 277 A CA -0.634 51.431 52.037 0.045 0.000 1.285 277 A CB -1.224 17.800 19.000 0.040 0.000 1.149 277 A HN 0.448 nan 8.150 nan 0.000 0.630 278 Y N -2.322 117.946 120.300 -0.054 0.000 2.670 278 Y HA 0.715 5.265 4.550 -0.000 0.000 0.334 278 Y C -1.542 174.304 175.900 -0.090 0.000 1.185 278 Y CA -1.847 56.206 58.100 -0.079 0.000 1.053 278 Y CB 0.908 39.303 38.460 -0.109 0.000 1.298 278 Y HN 0.098 nan 8.280 nan 0.000 0.459 279 D N 0.497 120.908 120.400 0.018 0.000 2.256 279 D HA 0.250 4.890 4.640 -0.000 0.000 0.246 279 D C -1.190 175.150 176.300 0.067 0.000 1.042 279 D CA -0.426 53.556 54.000 -0.031 0.000 0.841 279 D CB 1.246 42.068 40.800 0.038 0.000 1.223 279 D HN 0.683 nan 8.370 nan 0.000 0.470 280 H N -0.421 118.730 119.070 0.134 0.000 2.610 280 H HA 0.415 4.971 4.556 -0.000 0.000 0.336 280 H C 0.352 175.748 175.328 0.114 0.000 1.087 280 H CA -0.357 55.801 56.048 0.183 0.000 1.405 280 H CB 1.030 30.870 29.762 0.129 0.000 1.460 280 H HN 0.103 nan 8.280 nan 0.000 0.538 281 V N -0.085 119.966 119.914 0.228 0.000 3.102 281 V HA 0.466 4.585 4.120 -0.000 0.000 0.312 281 V C 0.166 176.275 176.094 0.025 0.000 1.135 281 V CA -1.208 61.157 62.300 0.108 0.000 1.022 281 V CB 1.885 33.755 31.823 0.078 0.000 1.056 281 V HN 0.797 nan 8.190 nan 0.000 0.436 282 T N 2.738 117.261 114.554 -0.052 0.000 2.819 282 T HA -0.012 4.338 4.350 -0.000 0.000 0.282 282 T C -0.066 174.488 174.700 -0.243 0.000 1.013 282 T CA 0.919 62.954 62.100 -0.108 0.000 1.159 282 T CB -0.529 68.269 68.868 -0.116 0.000 1.007 282 T HN 0.943 nan 8.240 nan 0.000 0.514 283 D N 1.453 121.777 120.400 -0.127 0.000 2.344 283 D HA 0.115 4.755 4.640 -0.000 0.000 0.244 283 D C 0.534 176.730 176.300 -0.174 0.000 1.134 283 D CA -0.616 53.328 54.000 -0.093 0.000 0.930 283 D CB 0.662 41.508 40.800 0.078 0.000 1.175 283 D HN 0.401 nan 8.370 nan 0.000 0.437 284 R N 1.161 121.565 120.500 -0.161 0.000 2.438 284 R HA 0.429 4.769 4.340 -0.000 0.000 0.287 284 R C -0.610 175.659 176.300 -0.052 0.000 1.077 284 R CA -0.657 55.331 56.100 -0.187 0.000 1.034 284 R CB 0.509 30.621 30.300 -0.314 0.000 0.993 284 R HN 0.405 nan 8.270 nan 0.000 0.459 285 A N 2.918 125.704 122.820 -0.057 0.000 2.524 285 A HA 0.342 4.662 4.320 -0.000 0.000 0.250 285 A C 1.206 178.795 177.584 0.008 0.000 1.078 285 A CA 0.609 52.634 52.037 -0.019 0.000 0.761 285 A CB -0.153 18.827 19.000 -0.033 0.000 1.012 285 A HN 1.132 nan 8.150 nan 0.000 0.500 286 G N 1.461 110.284 108.800 0.039 0.000 2.155 286 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.257 286 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.257 286 G C 0.254 175.221 174.900 0.113 0.000 0.983 286 G CA 0.706 45.839 45.100 0.056 0.000 0.676 286 G HN 1.421 nan 8.290 nan 0.000 0.528 287 H N 1.273 120.353 119.070 0.016 0.000 3.195 287 H HA 0.162 4.718 4.556 -0.000 0.000 0.302 287 H C -0.011 175.313 175.328 -0.006 0.000 0.950 287 H CA -0.041 56.020 56.048 0.022 0.000 1.398 287 H CB 0.424 30.201 29.762 0.026 0.000 1.377 287 H HN 0.230 nan 8.280 nan 0.000 0.572 288 D N 4.564 125.121 120.400 0.262 0.000 2.350 288 D HA -0.057 4.583 4.640 -0.000 0.000 0.249 288 D C 0.909 177.094 176.300 -0.191 0.000 1.119 288 D CA -0.260 53.759 54.000 0.032 0.000 0.886 288 D CB 1.530 42.343 40.800 0.021 0.000 1.195 288 D HN 0.379 nan 8.370 nan 0.000 0.437 289 L N 3.468 124.569 121.223 -0.203 0.000 1.971 289 L HA 0.047 4.387 4.340 -0.000 0.000 0.208 289 L C 0.712 177.392 176.870 -0.317 0.000 1.083 289 L CA 1.605 56.297 54.840 -0.246 0.000 0.753 289 L CB -0.034 41.942 42.059 -0.139 0.000 0.893 289 L HN 0.390 nan 8.230 nan 0.000 0.436 290 R N -1.038 119.298 120.500 -0.274 0.000 2.621 290 R HA 0.371 4.710 4.340 -0.000 0.000 0.292 290 R C -1.840 174.316 176.300 -0.239 0.000 0.969 290 R CA -0.627 55.310 56.100 -0.272 0.000 0.887 290 R CB 1.128 31.328 30.300 -0.168 0.000 1.180 290 R HN 0.089 nan 8.270 nan 0.000 0.450 291 Y N 1.382 121.626 120.300 -0.093 0.000 2.487 291 Y HA 0.795 5.344 4.550 -0.000 0.000 0.337 291 Y C -0.123 175.611 175.900 -0.277 0.000 1.076 291 Y CA -1.097 56.927 58.100 -0.128 0.000 1.115 291 Y CB 2.504 41.009 38.460 0.076 0.000 1.235 291 Y HN 0.762 nan 8.280 nan 0.000 0.468 292 A N 2.970 125.594 122.820 -0.327 0.000 2.512 292 A HA 0.665 4.985 4.320 -0.000 0.000 0.294 292 A C -1.959 175.485 177.584 -0.233 0.000 1.054 292 A CA -0.526 51.366 52.037 -0.242 0.000 0.756 292 A CB 0.891 19.734 19.000 -0.262 0.000 1.293 292 A HN 0.510 nan 8.150 nan 0.000 0.395 293 I N 2.193 122.753 120.570 -0.016 0.000 2.404 293 I HA 0.335 4.504 4.170 -0.000 0.000 0.293 293 I C -0.745 175.406 176.117 0.055 0.000 0.992 293 I CA -0.195 61.151 61.300 0.078 0.000 1.149 293 I CB 1.883 39.960 38.000 0.128 0.000 1.315 293 I HN 0.777 nan 8.210 nan 0.000 0.446 294 D N 5.643 126.077 120.400 0.056 0.000 2.396 294 D HA 0.383 5.023 4.640 -0.000 0.000 0.225 294 D C 0.369 176.724 176.300 0.092 0.000 1.121 294 D CA -0.289 53.749 54.000 0.062 0.000 0.853 294 D CB 1.409 42.230 40.800 0.035 0.000 1.043 294 D HN 0.585 nan 8.370 nan 0.000 0.500 295 A N 3.093 125.992 122.820 0.133 0.000 2.411 295 A HA 0.131 4.451 4.320 -0.000 0.000 0.251 295 A C 1.864 179.560 177.584 0.186 0.000 1.317 295 A CA -0.193 51.947 52.037 0.172 0.000 0.904 295 A CB -0.109 19.050 19.000 0.265 0.000 0.993 295 A HN 0.489 nan 8.150 nan 0.000 0.504 296 S N 0.320 116.103 115.700 0.138 0.000 2.382 296 S HA -0.180 4.290 4.470 -0.000 0.000 0.228 296 S C 2.006 176.690 174.600 0.139 0.000 1.027 296 S CA 1.693 59.970 58.200 0.128 0.000 0.991 296 S CB -0.128 63.124 63.200 0.087 0.000 0.823 296 S HN 0.775 nan 8.310 nan 0.000 0.469 297 K N 0.838 121.316 120.400 0.130 0.000 2.002 297 K HA -0.106 4.214 4.320 -0.000 0.000 0.209 297 K C 2.185 178.922 176.600 0.228 0.000 1.048 297 K CA 1.252 57.625 56.287 0.142 0.000 0.930 297 K CB -0.337 32.214 32.500 0.085 0.000 0.714 297 K HN 0.231 nan 8.250 nan 0.000 0.438 298 L N 1.838 123.223 121.223 0.269 0.000 2.042 298 L HA -0.174 4.166 4.340 -0.000 0.000 0.210 298 L C 2.258 179.293 176.870 0.275 0.000 1.076 298 L CA 1.644 56.642 54.840 0.263 0.000 0.749 298 L CB -0.446 41.675 42.059 0.104 0.000 0.893 298 L HN 0.149 nan 8.230 nan 0.000 0.432 299 R N -0.480 120.208 120.500 0.313 0.000 2.070 299 R HA -0.198 4.142 4.340 -0.000 0.000 0.233 299 R C 2.112 178.527 176.300 0.192 0.000 1.137 299 R CA 1.715 57.988 56.100 0.287 0.000 0.945 299 R CB -0.734 29.710 30.300 0.241 0.000 0.845 299 R HN 0.508 nan 8.270 nan 0.000 0.430 300 D N 0.479 120.976 120.400 0.162 0.000 2.092 300 D HA -0.177 4.463 4.640 -0.000 0.000 0.193 300 D C 1.570 177.946 176.300 0.127 0.000 0.994 300 D CA 1.585 55.660 54.000 0.124 0.000 0.828 300 D CB 0.099 40.963 40.800 0.107 0.000 0.963 300 D HN 0.259 nan 8.370 nan 0.000 0.450 301 E N -0.846 119.448 120.200 0.156 0.000 2.086 301 E HA 0.039 4.389 4.350 -0.000 0.000 0.190 301 E C 1.925 178.605 176.600 0.134 0.000 0.975 301 E CA 0.498 56.991 56.400 0.155 0.000 0.813 301 E CB 0.245 30.078 29.700 0.222 0.000 0.768 301 E HN 0.363 nan 8.360 nan 0.000 0.457 302 L N -1.057 120.249 121.223 0.137 0.000 2.731 302 L HA 0.301 4.641 4.340 -0.000 0.000 0.240 302 L C 1.213 178.171 176.870 0.147 0.000 1.120 302 L CA 0.306 55.208 54.840 0.103 0.000 0.913 302 L CB 0.634 42.699 42.059 0.011 0.000 1.213 302 L HN 0.268 nan 8.230 nan 0.000 0.515 303 G N 0.254 109.156 108.800 0.170 0.000 2.148 303 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.254 303 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.254 303 G C -0.076 174.942 174.900 0.196 0.000 0.981 303 G CA 0.125 45.318 45.100 0.155 0.000 0.670 303 G HN 0.434 nan 8.290 nan 0.000 0.528 304 W N 2.130 123.463 121.300 0.055 0.000 2.210 304 W HA 0.529 5.189 4.660 -0.000 0.000 0.330 304 W C 0.734 177.294 176.519 0.067 0.000 1.334 304 W CA 0.571 57.954 57.345 0.063 0.000 1.227 304 W CB 0.787 30.280 29.460 0.055 0.000 1.178 304 W HN 0.629 nan 8.180 nan 0.000 0.560 305 T N 5.754 119.893 114.554 -0.693 0.000 2.881 305 T HA 0.508 4.858 4.350 -0.000 0.000 0.290 305 T C -2.624 171.398 174.700 -1.129 0.000 1.000 305 T CA -2.226 59.398 62.100 -0.795 0.000 0.978 305 T CB 1.873 70.538 68.868 -0.339 0.000 0.997 305 T HN 0.351 nan 8.240 nan 0.000 0.443 306 P HA 0.248 nan 4.420 nan 0.000 0.271 306 P C 0.032 177.160 177.300 -0.286 0.000 1.216 306 P CA -0.239 62.514 63.100 -0.578 0.000 0.776 306 P CB 1.028 32.574 31.700 -0.257 0.000 0.881 307 Q N 0.834 120.527 119.800 -0.179 0.000 2.396 307 Q HA 0.157 4.496 4.340 -0.000 0.000 0.220 307 Q C 0.225 175.943 176.000 -0.469 0.000 0.900 307 Q CA 0.857 56.446 55.803 -0.356 0.000 0.925 307 Q CB 0.067 28.502 28.738 -0.505 0.000 1.065 307 Q HN 0.519 nan 8.270 nan 0.000 0.535 308 F N 1.713 121.675 119.950 0.020 0.000 2.441 308 F HA 0.180 4.707 4.527 -0.000 0.000 0.337 308 F C 1.040 176.913 175.800 0.123 0.000 1.182 308 F CA -0.167 57.854 58.000 0.035 0.000 1.279 308 F CB 0.503 39.485 39.000 -0.029 0.000 1.614 308 F HN -0.110 nan 8.300 nan 0.000 0.574 309 T N -4.305 110.350 114.554 0.169 0.000 3.086 309 T HA 0.012 4.361 4.350 -0.000 0.000 0.250 309 T C 0.338 175.164 174.700 0.210 0.000 1.074 309 T CA -0.174 62.045 62.100 0.198 0.000 0.988 309 T CB -0.076 68.855 68.868 0.106 0.000 0.988 309 T HN 0.176 nan 8.240 nan 0.000 0.530 310 D N 0.869 121.381 120.400 0.188 0.000 2.441 310 D HA 0.180 4.819 4.640 -0.000 0.000 0.221 310 D C 0.425 176.861 176.300 0.227 0.000 1.156 310 D CA -1.238 52.862 54.000 0.168 0.000 0.896 310 D CB 0.167 41.023 40.800 0.093 0.000 1.028 310 D HN 0.116 nan 8.370 nan 0.000 0.509 311 F N 3.259 123.279 119.950 0.117 0.000 2.171 311 F HA -0.165 4.361 4.527 -0.000 0.000 0.300 311 F C 2.263 178.065 175.800 0.002 0.000 1.090 311 F CA 1.434 59.481 58.000 0.078 0.000 1.293 311 F CB -0.066 38.948 39.000 0.022 0.000 1.013 311 F HN 0.380 nan 8.300 nan 0.000 0.486 312 S N -0.215 115.491 115.700 0.010 0.000 2.359 312 S HA -0.269 4.201 4.470 -0.000 0.000 0.224 312 S C 2.095 176.613 174.600 -0.137 0.000 1.035 312 S CA 1.736 59.878 58.200 -0.096 0.000 1.018 312 S CB -0.506 62.697 63.200 0.005 0.000 0.876 312 S HN 0.556 nan 8.310 nan 0.000 0.448 313 E N 0.548 120.719 120.200 -0.049 0.000 2.072 313 E HA 0.052 4.402 4.350 -0.000 0.000 0.190 313 E C 2.070 178.647 176.600 -0.038 0.000 0.982 313 E CA 1.525 57.910 56.400 -0.026 0.000 0.803 313 E CB -1.136 28.578 29.700 0.022 0.000 0.755 313 E HN 0.493 nan 8.360 nan 0.000 0.453 314 G N 0.729 109.522 108.800 -0.012 0.000 2.418 314 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.217 314 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.217 314 G C 1.520 176.426 174.900 0.011 0.000 1.158 314 G CA 0.956 46.083 45.100 0.045 0.000 0.771 314 G HN 0.348 nan 8.290 nan 0.000 0.545 315 L N 0.668 121.672 121.223 -0.365 0.000 2.056 315 L HA 0.045 4.385 4.340 -0.000 0.000 0.207 315 L C 2.629 179.369 176.870 -0.217 0.000 1.078 315 L CA 2.409 56.963 54.840 -0.477 0.000 0.749 315 L CB -0.557 40.956 42.059 -0.910 0.000 0.901 315 L HN 0.293 nan 8.230 nan 0.000 0.433 316 E N 0.126 120.225 120.200 -0.169 0.000 2.058 316 E HA -0.251 4.099 4.350 -0.000 0.000 0.194 316 E C 2.049 178.634 176.600 -0.025 0.000 0.997 316 E CA 1.936 58.285 56.400 -0.085 0.000 0.801 316 E CB -0.210 29.453 29.700 -0.063 0.000 0.746 316 E HN 0.626 nan 8.360 nan 0.000 0.450 317 E N -0.796 119.398 120.200 -0.010 0.000 2.150 317 E HA -0.132 4.217 4.350 -0.000 0.000 0.193 317 E C 2.039 178.688 176.600 0.082 0.000 0.985 317 E CA 1.493 57.911 56.400 0.029 0.000 0.814 317 E CB -0.098 29.605 29.700 0.007 0.000 0.752 317 E HN 0.304 nan 8.360 nan 0.000 0.466 318 T N 1.522 116.130 114.554 0.089 0.000 2.777 318 T HA -0.096 4.253 4.350 -0.000 0.000 0.266 318 T C 2.021 176.871 174.700 0.249 0.000 1.040 318 T CA 0.740 62.945 62.100 0.175 0.000 1.141 318 T CB -0.162 68.826 68.868 0.200 0.000 0.868 318 T HN 0.099 nan 8.240 nan 0.000 0.444 319 I N 1.029 121.664 120.570 0.109 0.000 2.151 319 I HA -0.251 3.919 4.170 -0.000 0.000 0.243 319 I C 2.833 179.028 176.117 0.131 0.000 1.080 319 I CA 1.384 62.735 61.300 0.086 0.000 1.339 319 I CB -0.363 37.624 38.000 -0.021 0.000 1.039 319 I HN 0.191 nan 8.210 nan 0.000 0.409 320 Q N 0.111 119.966 119.800 0.093 0.000 2.124 320 Q HA -0.263 4.077 4.340 -0.000 0.000 0.202 320 Q C 1.847 177.892 176.000 0.076 0.000 0.977 320 Q CA 1.857 57.701 55.803 0.068 0.000 0.850 320 Q CB -0.474 28.291 28.738 0.044 0.000 0.901 320 Q HN 0.570 nan 8.270 nan 0.000 0.429 321 W N -0.680 120.573 121.300 -0.078 0.000 2.355 321 W HA -0.228 4.432 4.660 -0.000 0.000 0.309 321 W C 1.401 177.780 176.519 -0.234 0.000 1.206 321 W CA 1.707 58.922 57.345 -0.216 0.000 1.284 321 W CB -0.428 28.822 29.460 -0.351 0.000 1.145 321 W HN 0.226 nan 8.180 nan 0.000 0.502 322 Y N -0.047 120.360 120.300 0.178 0.000 2.293 322 Y HA -0.223 4.327 4.550 -0.000 0.000 0.291 322 Y C 2.677 178.675 175.900 0.163 0.000 1.137 322 Y CA 2.090 60.280 58.100 0.150 0.000 1.202 322 Y CB -0.925 37.584 38.460 0.082 0.000 0.990 322 Y HN -0.178 nan 8.280 nan 0.000 0.537 323 T N -0.743 113.915 114.554 0.173 0.000 2.857 323 T HA -0.134 4.215 4.350 -0.000 0.000 0.266 323 T C 1.080 175.771 174.700 -0.016 0.000 1.048 323 T CA 1.569 63.737 62.100 0.114 0.000 1.139 323 T CB -0.229 68.678 68.868 0.065 0.000 0.874 323 T HN 0.273 nan 8.240 nan 0.000 0.455 324 D N 1.216 121.530 120.400 -0.143 0.000 2.347 324 D HA 0.049 4.688 4.640 -0.000 0.000 0.213 324 D C 0.799 176.891 176.300 -0.347 0.000 0.985 324 D CA 0.549 54.413 54.000 -0.226 0.000 0.879 324 D CB -0.004 40.648 40.800 -0.248 0.000 0.919 324 D HN 0.303 nan 8.370 nan 0.000 0.526 325 N N 0.813 119.228 118.700 -0.476 0.000 2.599 325 N HA 0.089 4.828 4.740 -0.000 0.000 0.309 325 N C 0.802 176.110 175.510 -0.337 0.000 1.743 325 N CA -0.014 52.693 53.050 -0.572 0.000 0.918 325 N CB 1.039 38.744 38.487 -1.304 0.000 1.339 325 N HN 0.190 nan 8.380 nan 0.000 0.493 326 Q N 0.120 119.736 119.800 -0.305 0.000 2.170 326 Q HA -0.112 4.228 4.340 -0.000 0.000 0.203 326 Q C 0.499 176.033 176.000 -0.778 0.000 0.976 326 Q CA 1.102 56.509 55.803 -0.660 0.000 0.858 326 Q CB 0.158 28.619 28.738 -0.462 0.000 0.907 326 Q HN 0.274 nan 8.270 nan 0.000 0.433 327 D N -0.240 119.923 120.400 -0.395 0.000 2.309 327 D HA -0.165 4.475 4.640 -0.000 0.000 0.212 327 D C 1.230 177.429 176.300 -0.168 0.000 0.968 327 D CA 0.653 54.489 54.000 -0.274 0.000 0.882 327 D CB -0.245 40.458 40.800 -0.161 0.000 0.918 327 D HN 0.407 nan 8.370 nan 0.000 0.503 328 W N 0.960 122.077 121.300 -0.304 0.000 2.467 328 W HA -0.098 4.561 4.660 -0.000 0.000 0.275 328 W C 1.697 178.242 176.519 0.043 0.000 1.239 328 W CA 0.830 58.117 57.345 -0.097 0.000 1.266 328 W CB -0.043 29.368 29.460 -0.082 0.000 1.112 328 W HN 0.137 nan 8.180 nan 0.000 0.576 329 W N -0.771 120.589 121.300 0.099 0.000 2.865 329 W HA 0.335 4.994 4.660 -0.000 0.000 0.300 329 W C 1.412 177.902 176.519 -0.048 0.000 1.096 329 W CA -0.112 57.216 57.345 -0.028 0.000 1.524 329 W CB -0.788 28.823 29.460 0.251 0.000 0.991 329 W HN -0.220 nan 8.180 nan 0.000 0.571 330 K N 1.480 121.592 120.400 -0.479 0.000 2.152 330 K HA -0.087 4.233 4.320 -0.000 0.000 0.206 330 K C 2.344 178.890 176.600 -0.090 0.000 1.048 330 K CA 1.982 58.031 56.287 -0.397 0.000 0.933 330 K CB -0.215 31.960 32.500 -0.542 0.000 0.721 330 K HN 0.119 nan 8.250 nan 0.000 0.447 331 A N 0.913 123.673 122.820 -0.100 0.000 2.168 331 A HA -0.130 4.190 4.320 -0.000 0.000 0.215 331 A C 1.446 179.029 177.584 -0.002 0.000 1.152 331 A CA 1.182 53.188 52.037 -0.052 0.000 0.716 331 A CB -0.124 18.832 19.000 -0.073 0.000 0.794 331 A HN 0.289 nan 8.150 nan 0.000 0.465 332 E N -1.110 119.105 120.200 0.026 0.000 2.460 332 E HA -0.014 4.336 4.350 -0.000 0.000 0.200 332 E C 1.712 178.376 176.600 0.107 0.000 1.011 332 E CA 0.232 56.661 56.400 0.049 0.000 0.912 332 E CB 0.193 29.876 29.700 -0.029 0.000 0.953 332 E HN 0.401 nan 8.360 nan 0.000 0.494 333 K N 2.100 122.606 120.400 0.177 0.000 2.009 333 K HA -0.223 4.097 4.320 -0.000 0.000 0.210 333 K C 1.877 178.562 176.600 0.142 0.000 1.049 333 K CA 1.782 58.193 56.287 0.207 0.000 0.929 333 K CB -0.116 32.585 32.500 0.335 0.000 0.714 333 K HN 0.046 nan 8.250 nan 0.000 0.440 334 E N -0.838 119.430 120.200 0.114 0.000 2.077 334 E HA -0.179 4.171 4.350 -0.000 0.000 0.193 334 E C 1.739 178.389 176.600 0.083 0.000 0.989 334 E CA 1.135 57.589 56.400 0.090 0.000 0.800 334 E CB -0.216 29.524 29.700 0.065 0.000 0.746 334 E HN 0.418 nan 8.360 nan 0.000 0.452 335 A N 0.295 123.161 122.820 0.077 0.000 1.898 335 A HA -0.112 4.208 4.320 -0.000 0.000 0.216 335 A C 2.361 179.988 177.584 0.071 0.000 1.181 335 A CA 1.265 53.341 52.037 0.065 0.000 0.620 335 A CB -0.485 18.550 19.000 0.059 0.000 0.819 335 A HN 0.215 nan 8.150 nan 0.000 0.442 336 V N 0.295 120.272 119.914 0.104 0.000 2.358 336 V HA -0.178 3.942 4.120 -0.000 0.000 0.246 336 V C 2.521 178.723 176.094 0.180 0.000 1.047 336 V CA 1.993 64.364 62.300 0.118 0.000 1.035 336 V CB -0.678 31.254 31.823 0.182 0.000 0.658 336 V HN 0.503 nan 8.190 nan 0.000 0.452 337 E N 0.527 120.848 120.200 0.201 0.000 2.110 337 E HA -0.158 4.191 4.350 -0.000 0.000 0.193 337 E C 2.353 179.062 176.600 0.181 0.000 0.988 337 E CA 1.465 58.004 56.400 0.231 0.000 0.804 337 E CB -0.529 29.266 29.700 0.158 0.000 0.745 337 E HN 0.568 nan 8.360 nan 0.000 0.458 338 A N 1.559 124.448 122.820 0.115 0.000 1.933 338 A HA -0.234 4.086 4.320 -0.000 0.000 0.218 338 A C 2.075 179.698 177.584 0.065 0.000 1.175 338 A CA 1.856 53.941 52.037 0.080 0.000 0.628 338 A CB -0.733 18.300 19.000 0.055 0.000 0.814 338 A HN 0.272 nan 8.150 nan 0.000 0.444 339 N N -1.365 117.354 118.700 0.032 0.000 2.084 339 N HA -0.187 4.552 4.740 -0.000 0.000 0.190 339 N C 1.544 177.043 175.510 -0.019 0.000 1.030 339 N CA 1.942 54.968 53.050 -0.039 0.000 0.849 339 N CB -0.476 37.930 38.487 -0.135 0.000 1.012 339 N HN 0.595 nan 8.380 nan 0.000 0.423 340 Y N 0.149 120.486 120.300 0.061 0.000 2.224 340 Y HA -0.129 4.421 4.550 -0.000 0.000 0.289 340 Y C 2.382 178.306 175.900 0.041 0.000 1.146 340 Y CA 0.976 59.116 58.100 0.067 0.000 1.182 340 Y CB -0.269 38.254 38.460 0.105 0.000 0.983 340 Y HN 0.189 nan 8.280 nan 0.000 0.524 341 A N 0.203 123.142 122.820 0.199 0.000 2.076 341 A HA -0.221 4.099 4.320 -0.000 0.000 0.220 341 A C 2.044 179.674 177.584 0.076 0.000 1.160 341 A CA 1.563 53.671 52.037 0.118 0.000 0.653 341 A CB -0.472 18.583 19.000 0.092 0.000 0.801 341 A HN 0.430 nan 8.150 nan 0.000 0.455 342 K N -0.865 119.573 120.400 0.063 0.000 2.211 342 K HA -0.089 4.231 4.320 -0.000 0.000 0.203 342 K C 1.374 177.991 176.600 0.029 0.000 1.050 342 K CA 1.636 57.943 56.287 0.033 0.000 0.945 342 K CB -0.093 32.415 32.500 0.014 0.000 0.732 342 K HN 0.719 nan 8.250 nan 0.000 0.451 343 T N -3.426 111.155 114.554 0.045 0.000 3.087 343 T HA 0.109 4.459 4.350 -0.000 0.000 0.283 343 T C 0.007 174.718 174.700 0.018 0.000 0.956 343 T CA -0.578 61.536 62.100 0.023 0.000 0.894 343 T CB 0.463 69.338 68.868 0.012 0.000 1.160 343 T HN -0.028 nan 8.240 nan 0.000 0.532 344 Q N 1.356 121.183 119.800 0.044 0.000 2.305 344 Q HA 0.491 4.831 4.340 -0.000 0.000 0.271 344 Q C -1.556 174.459 176.000 0.026 0.000 1.046 344 Q CA -0.552 55.260 55.803 0.014 0.000 0.798 344 Q CB 1.950 30.714 28.738 0.044 0.000 1.286 344 Q HN 0.645 nan 8.270 nan 0.000 0.435 345 E N 1.173 121.378 120.200 0.008 0.000 2.416 345 E HA 0.495 4.845 4.350 -0.000 0.000 0.273 345 E C -1.027 175.589 176.600 0.027 0.000 0.935 345 E CA -1.041 55.372 56.400 0.022 0.000 0.784 345 E CB 1.537 31.248 29.700 0.019 0.000 1.301 345 E HN 0.285 nan 8.360 nan 0.000 0.454 346 V N 2.086 122.022 119.914 0.036 0.000 2.585 346 V HA 0.035 4.154 4.120 -0.000 0.000 0.296 346 V C 0.500 176.620 176.094 0.044 0.000 1.035 346 V CA 0.152 62.481 62.300 0.048 0.000 1.084 346 V CB -0.055 31.792 31.823 0.040 0.000 0.953 346 V HN 0.524 nan 8.190 nan 0.000 0.483 347 I N 7.057 127.666 120.570 0.065 0.000 2.471 347 I HA 0.313 4.483 4.170 -0.000 0.000 0.286 347 I C 0.450 176.586 176.117 0.031 0.000 1.079 347 I CA 0.326 61.653 61.300 0.045 0.000 1.398 347 I CB 0.084 38.119 38.000 0.057 0.000 1.403 347 I HN 0.812 nan 8.210 nan 0.000 0.530 348 K N 0.000 120.407 120.400 0.011 0.000 2.780 348 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 348 K CA 0.000 56.288 56.287 0.002 0.000 0.838 348 K CB 0.000 32.504 32.500 0.006 0.000 1.064 348 K HN 0.000 nan 8.250 nan 0.000 0.543