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 3c7f_1_A DATA FIRST_RESID 1 DATA SEQUENCE ATSTTIAKHI GNSNPLIDHH LGADPVALTY NGRVYIYMSS DDYEYNSNGT DATA SEQUENCE IKDNSFANLN RVFVISSADM VNWTDHGAIP VAGANGANGG RGIAKWAGAS DATA SEQUENCE WAPSIAVKKI NGKDKFFLYF ANSGGGIGVL TADSPIGPWT DPIGKPLVTP DATA SEQUENCE STPGMSGVVW LFDPAVFVDD DGTGYLYAGG GVPGVSNPTQ GQWANPKTAR DATA SEQUENCE VIKLGPDMTS VVGSASTIDA PFMFEDSGLH KYNGTYYYSY CINFGGTHPA DATA SEQUENCE DKPPGEIGYM TSSSPMGPFT YRGHFLKNPG AFFGGGGNNH HAVFNFKNEW DATA SEQUENCE YVVYHAQTVS SALFGAGKGY RSPHINKLVH NADGSIQEVA ANYAGVTQIS DATA SEQUENCE NLNPYNRVEA ETFAWNGRIL TEKSTAPGGP VNNQHVTSIQ NGDWIAVGNA DATA SEQUENCE DFGAGGARSF KANVASTLGG KIEVRLDSAD GKLVGTLNVP STGGAQTWRE DATA SEQUENCE IETAVSGATG VHKVFFVFTG TGTGNLFNFD YWQFTQR VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.607 177.584 0.038 0.000 1.274 1 A CA 0.000 52.042 52.037 0.008 0.000 0.836 1 A CB 0.000 18.870 19.000 -0.216 0.000 0.831 2 T N -1.897 112.742 114.554 0.143 0.000 2.980 2 T HA 0.285 4.637 4.350 0.004 0.000 0.252 2 T C 0.833 175.637 174.700 0.173 0.000 0.962 2 T CA 0.904 63.071 62.100 0.110 0.000 0.932 2 T CB -0.131 68.780 68.868 0.072 0.000 1.188 2 T HN 0.737 nan 8.240 nan 0.000 0.500 3 S N 3.149 119.009 115.700 0.267 0.000 2.576 3 S HA 0.498 4.970 4.470 0.004 0.000 0.276 3 S C 0.476 175.287 174.600 0.351 0.000 1.339 3 S CA -0.421 57.912 58.200 0.221 0.000 1.039 3 S CB 0.922 64.177 63.200 0.092 0.000 0.902 3 S HN 0.779 nan 8.310 nan 0.000 0.516 4 T N -0.724 113.955 114.554 0.209 0.000 2.945 4 T HA 0.582 4.934 4.350 0.004 0.000 0.286 4 T C 0.125 174.950 174.700 0.209 0.000 1.025 4 T CA -1.044 61.200 62.100 0.240 0.000 1.039 4 T CB 0.860 69.811 68.868 0.138 0.000 1.068 4 T HN 0.587 nan 8.240 nan 0.000 0.497 5 T N 0.591 115.329 114.554 0.308 0.000 2.930 5 T HA 0.321 4.673 4.350 0.004 0.000 0.306 5 T C 1.486 176.309 174.700 0.206 0.000 1.045 5 T CA -0.742 61.517 62.100 0.265 0.000 1.134 5 T CB 0.136 69.265 68.868 0.436 0.000 0.961 5 T HN 0.566 nan 8.240 nan 0.000 0.545 6 I N 1.468 122.095 120.570 0.096 0.000 2.193 6 I HA 0.046 4.219 4.170 0.004 0.000 0.240 6 I C 2.382 178.517 176.117 0.030 0.000 1.084 6 I CA 1.585 62.916 61.300 0.052 0.000 1.365 6 I CB -0.340 37.662 38.000 0.003 0.000 1.064 6 I HN 0.873 nan 8.210 nan 0.000 0.410 7 A N -1.104 121.650 122.820 -0.109 0.000 1.996 7 A HA 0.142 4.464 4.320 0.004 0.000 0.185 7 A C 0.986 178.235 177.584 -0.558 0.000 1.803 7 A CA -0.295 51.565 52.037 -0.296 0.000 1.335 7 A CB 0.202 19.161 19.000 -0.069 0.000 1.486 7 A HN 0.073 nan 8.150 nan 0.000 0.408 8 K N 2.474 122.725 120.400 -0.248 0.000 2.231 8 K HA 0.250 4.572 4.320 0.004 0.000 0.275 8 K C -0.890 175.761 176.600 0.086 0.000 1.105 8 K CA -0.447 55.806 56.287 -0.057 0.000 0.931 8 K CB -0.116 32.449 32.500 0.108 0.000 1.296 8 K HN 0.483 nan 8.250 nan 0.000 0.446 9 H N 3.056 122.249 119.070 0.204 0.000 2.551 9 H HA 0.120 4.677 4.556 0.003 0.000 0.358 9 H C 0.641 175.922 175.328 -0.079 0.000 1.151 9 H CA -0.552 55.556 56.048 0.100 0.000 1.374 9 H CB 0.693 30.461 29.762 0.010 0.000 1.473 9 H HN 0.471 nan 8.280 nan 0.000 0.574 10 I N 1.110 121.546 120.570 -0.223 0.000 2.821 10 I HA -0.101 4.071 4.170 0.004 0.000 0.294 10 I C 1.473 177.203 176.117 -0.646 0.000 1.210 10 I CA 1.547 62.254 61.300 -0.989 0.000 1.430 10 I CB 0.048 37.720 38.000 -0.547 0.000 1.356 10 I HN 0.975 nan 8.210 nan 0.000 0.563 11 G N 3.884 112.193 108.800 -0.819 0.000 2.217 11 G HA2 -0.241 3.721 3.960 0.004 0.000 0.246 11 G HA3 -0.241 3.721 3.960 0.004 0.000 0.246 11 G C 0.142 175.171 174.900 0.214 0.000 0.990 11 G CA -0.414 44.611 45.100 -0.125 0.000 0.627 11 G HN 0.556 nan 8.290 nan 0.000 0.522 12 N N 0.116 119.008 118.700 0.320 0.000 2.466 12 N HA 0.669 5.411 4.740 0.004 0.000 0.294 12 N C 0.759 176.557 175.510 0.480 0.000 1.129 12 N CA 0.100 53.370 53.050 0.366 0.000 0.931 12 N CB 1.702 40.366 38.487 0.294 0.000 1.193 12 N HN 0.028 nan 8.380 nan 0.000 0.500 13 S N 0.029 115.911 115.700 0.302 0.000 2.523 13 S HA 0.237 4.709 4.470 0.004 0.000 0.217 13 S C -0.019 174.630 174.600 0.081 0.000 0.996 13 S CA -0.175 58.156 58.200 0.218 0.000 0.921 13 S CB 0.094 63.412 63.200 0.196 0.000 0.829 13 S HN 0.468 nan 8.310 nan 0.000 0.495 14 N N 2.081 120.789 118.700 0.013 0.000 2.272 14 N HA 0.446 5.188 4.740 0.004 0.000 0.305 14 N C -2.984 172.381 175.510 -0.242 0.000 1.103 14 N CA -1.720 51.146 53.050 -0.307 0.000 0.791 14 N CB 1.508 39.673 38.487 -0.536 0.000 1.356 14 N HN 0.009 nan 8.380 nan 0.000 0.486 15 P HA 0.102 nan 4.420 nan 0.000 0.271 15 P C 0.964 178.063 177.300 -0.335 0.000 1.233 15 P CA -0.265 62.496 63.100 -0.565 0.000 0.789 15 P CB 1.185 32.733 31.700 -0.255 0.000 0.951 16 L N 0.334 121.310 121.223 -0.412 0.000 2.079 16 L HA -0.058 4.284 4.340 0.004 0.000 0.210 16 L C 1.405 177.987 176.870 -0.479 0.000 1.081 16 L CA 1.614 56.119 54.840 -0.559 0.000 0.752 16 L CB -0.748 40.646 42.059 -1.109 0.000 0.896 16 L HN 0.426 nan 8.230 nan 0.000 0.433 17 I N -3.962 116.375 120.570 -0.390 0.000 2.865 17 I HA 0.373 4.545 4.170 0.004 0.000 0.302 17 I C -0.787 175.232 176.117 -0.163 0.000 1.140 17 I CA -0.799 60.360 61.300 -0.235 0.000 1.021 17 I CB 2.182 39.956 38.000 -0.376 0.000 1.233 17 I HN -0.113 nan 8.210 nan 0.000 0.427 18 D N 1.130 121.521 120.400 -0.014 0.000 2.538 18 D HA -0.030 4.612 4.640 0.004 0.000 0.241 18 D C 1.013 177.323 176.300 0.018 0.000 1.297 18 D CA 0.147 54.130 54.000 -0.028 0.000 0.804 18 D CB -0.400 40.398 40.800 -0.003 0.000 1.122 18 D HN 0.786 nan 8.370 nan 0.000 0.519 19 H N 0.262 119.284 119.070 -0.080 0.000 2.548 19 H HA 0.180 4.739 4.556 0.004 0.000 0.265 19 H C -0.225 175.115 175.328 0.021 0.000 0.969 19 H CA 0.855 56.897 56.048 -0.010 0.000 1.155 19 H CB -0.369 29.451 29.762 0.096 0.000 1.394 19 H HN 0.473 nan 8.280 nan 0.000 0.570 20 H N -1.969 116.846 119.070 -0.426 0.000 2.902 20 H HA 0.556 5.114 4.556 0.004 0.000 0.297 20 H C -1.191 173.993 175.328 -0.240 0.000 1.406 20 H CA -1.028 54.824 56.048 -0.326 0.000 1.134 20 H CB 0.591 30.081 29.762 -0.453 0.000 1.833 20 H HN -0.002 nan 8.280 nan 0.000 0.527 21 L N -0.307 120.971 121.223 0.092 0.000 2.472 21 L HA 0.795 5.137 4.340 0.004 0.000 0.256 21 L C 0.306 177.327 176.870 0.252 0.000 1.111 21 L CA -0.432 54.455 54.840 0.078 0.000 0.800 21 L CB 1.285 43.352 42.059 0.014 0.000 1.286 21 L HN 1.032 nan 8.230 nan 0.000 0.479 22 G N -0.087 108.784 108.800 0.118 0.000 2.378 22 G HA2 0.555 4.517 3.960 0.004 0.000 0.306 22 G HA3 0.555 4.517 3.960 0.004 0.000 0.306 22 G C -1.528 173.370 174.900 -0.004 0.000 1.413 22 G CA 0.035 45.212 45.100 0.127 0.000 1.123 22 G HN 0.759 nan 8.290 nan 0.000 0.587 23 A N 2.086 124.861 122.820 -0.076 0.000 2.288 23 A HA 0.852 5.175 4.320 0.004 0.000 0.328 23 A C 0.386 177.954 177.584 -0.027 0.000 1.123 23 A CA -0.144 51.843 52.037 -0.082 0.000 0.861 23 A CB 0.637 19.480 19.000 -0.263 0.000 1.272 23 A HN 1.123 nan 8.150 nan 0.000 0.490 24 D N -0.483 120.004 120.400 0.146 0.000 2.697 24 D HA -0.105 4.537 4.640 0.004 0.000 0.238 24 D C -2.343 173.921 176.300 -0.060 0.000 1.152 24 D CA 1.093 54.902 54.000 -0.319 0.000 0.666 24 D CB -1.650 38.720 40.800 -0.716 0.000 1.037 24 D HN 0.402 nan 8.370 nan 0.000 0.423 25 P HA 0.257 nan 4.420 nan 0.000 0.275 25 P C -0.061 177.332 177.300 0.156 0.000 1.228 25 P CA -0.324 62.834 63.100 0.097 0.000 0.786 25 P CB 1.782 33.516 31.700 0.057 0.000 0.927 26 V N 1.273 121.277 119.914 0.150 0.000 3.078 26 V HA 0.761 4.883 4.120 0.004 0.000 0.311 26 V C -1.249 174.930 176.094 0.142 0.000 1.138 26 V CA -0.994 61.402 62.300 0.159 0.000 1.007 26 V CB 2.206 34.136 31.823 0.177 0.000 1.045 26 V HN 0.776 nan 8.190 nan 0.000 0.432 27 A N 4.571 127.422 122.820 0.052 0.000 2.342 27 A HA 0.883 5.205 4.320 0.004 0.000 0.323 27 A C -1.385 176.250 177.584 0.084 0.000 1.125 27 A CA -0.540 51.424 52.037 -0.123 0.000 0.785 27 A CB 1.474 19.938 19.000 -0.893 0.000 1.221 27 A HN 1.194 nan 8.150 nan 0.000 0.463 28 L N 2.368 123.723 121.223 0.220 0.000 2.333 28 L HA 0.712 5.054 4.340 0.004 0.000 0.280 28 L C 0.243 177.304 176.870 0.319 0.000 1.004 28 L CA 0.136 55.167 54.840 0.318 0.000 0.820 28 L CB 2.059 44.382 42.059 0.439 0.000 1.247 28 L HN 0.746 nan 8.230 nan 0.000 0.416 29 T N 1.888 116.645 114.554 0.339 0.000 2.749 29 T HA 0.546 4.899 4.350 0.004 0.000 0.287 29 T C -0.917 174.091 174.700 0.513 0.000 0.970 29 T CA -0.405 61.937 62.100 0.405 0.000 0.980 29 T CB 0.727 69.876 68.868 0.467 0.000 0.924 29 T HN 0.547 nan 8.240 nan 0.000 0.456 30 Y N 3.141 123.677 120.300 0.393 0.000 2.323 30 Y HA 0.334 4.887 4.550 0.005 0.000 0.322 30 Y C -0.339 175.762 175.900 0.335 0.000 1.133 30 Y CA -0.928 57.388 58.100 0.360 0.000 1.093 30 Y CB 1.029 39.721 38.460 0.387 0.000 1.203 30 Y HN 0.820 nan 8.280 nan 0.000 0.427 31 N N 4.216 122.731 118.700 -0.308 0.000 2.714 31 N HA -0.186 4.556 4.740 0.004 0.000 0.252 31 N C 0.851 176.351 175.510 -0.018 0.000 1.014 31 N CA 2.047 54.924 53.050 -0.288 0.000 0.735 31 N CB -1.121 37.038 38.487 -0.547 0.000 0.924 31 N HN 1.529 nan 8.380 nan 0.000 0.540 32 G N -1.670 107.192 108.800 0.103 0.000 2.157 32 G HA2 -0.335 3.627 3.960 0.004 0.000 0.248 32 G HA3 -0.335 3.627 3.960 0.004 0.000 0.248 32 G C 0.090 175.181 174.900 0.318 0.000 0.979 32 G CA 0.478 45.668 45.100 0.150 0.000 0.650 32 G HN 0.620 nan 8.290 nan 0.000 0.529 33 R N -1.075 119.614 120.500 0.315 0.000 2.854 33 R HA 0.710 5.052 4.340 0.004 0.000 0.271 33 R C -1.018 175.140 176.300 -0.237 0.000 0.994 33 R CA -0.707 55.399 56.100 0.009 0.000 0.945 33 R CB 2.764 32.892 30.300 -0.287 0.000 1.194 33 R HN 0.338 nan 8.270 nan 0.000 0.476 34 V N 2.953 122.361 119.914 -0.842 0.000 2.417 34 V HA 0.448 4.570 4.120 0.004 0.000 0.291 34 V C -1.466 174.374 176.094 -0.423 0.000 1.024 34 V CA -0.479 61.413 62.300 -0.680 0.000 0.861 34 V CB 0.902 32.080 31.823 -1.074 0.000 0.985 34 V HN 0.576 nan 8.190 nan 0.000 0.436 35 Y N 6.664 126.906 120.300 -0.095 0.000 2.341 35 Y HA 0.614 5.167 4.550 0.005 0.000 0.337 35 Y C 0.270 176.092 175.900 -0.129 0.000 1.014 35 Y CA -0.970 57.075 58.100 -0.093 0.000 1.111 35 Y CB 1.636 40.048 38.460 -0.081 0.000 1.194 35 Y HN 0.374 nan 8.280 nan 0.000 0.462 36 I N 4.532 125.051 120.570 -0.084 0.000 2.362 36 I HA 0.244 4.416 4.170 0.004 0.000 0.289 36 I C -0.897 175.110 176.117 -0.183 0.000 0.994 36 I CA -1.467 59.776 61.300 -0.095 0.000 1.158 36 I CB 0.643 38.520 38.000 -0.206 0.000 1.315 36 I HN 0.575 nan 8.210 nan 0.000 0.451 37 Y N 6.311 126.634 120.300 0.039 0.000 2.360 37 Y HA 0.673 5.225 4.550 0.004 0.000 0.337 37 Y C 0.222 176.122 175.900 0.001 0.000 1.039 37 Y CA -0.677 57.443 58.100 0.034 0.000 1.109 37 Y CB 1.993 40.467 38.460 0.024 0.000 1.201 37 Y HN 0.424 nan 8.280 nan 0.000 0.458 38 M N 1.086 120.752 119.600 0.109 0.000 2.501 38 M HA 0.371 4.854 4.480 0.004 0.000 0.293 38 M C -0.582 175.634 176.300 -0.140 0.000 1.192 38 M CA -0.711 54.590 55.300 0.002 0.000 0.886 38 M CB 2.344 34.961 32.600 0.029 0.000 1.710 38 M HN 0.499 nan 8.290 nan 0.000 0.457 39 S N 1.077 116.652 115.700 -0.208 0.000 2.568 39 S HA 0.083 4.555 4.470 0.004 0.000 0.282 39 S C 0.419 174.706 174.600 -0.522 0.000 1.338 39 S CA -0.432 57.569 58.200 -0.332 0.000 1.045 39 S CB 0.307 63.287 63.200 -0.367 0.000 0.873 39 S HN 0.718 nan 8.310 nan 0.000 0.516 40 S N 1.553 116.825 115.700 -0.712 0.000 3.983 40 S HA 0.151 4.623 4.470 0.004 0.000 0.194 40 S C -0.404 173.860 174.600 -0.560 0.000 1.464 40 S CA -0.857 56.589 58.200 -1.256 0.000 1.021 40 S CB -0.518 61.943 63.200 -1.231 0.000 1.424 40 S HN 0.553 nan 8.310 nan 0.000 0.473 41 D N 2.478 122.693 120.400 -0.308 0.000 2.525 41 D HA 0.312 4.954 4.640 0.004 0.000 0.235 41 D C -0.283 176.003 176.300 -0.023 0.000 1.137 41 D CA 1.243 55.194 54.000 -0.081 0.000 0.868 41 D CB 0.512 41.301 40.800 -0.018 0.000 1.180 41 D HN 0.529 nan 8.370 nan 0.000 0.465 42 D N 1.192 121.577 120.400 -0.025 0.000 2.871 42 D HA 0.062 4.704 4.640 0.004 0.000 0.209 42 D C -1.176 175.040 176.300 -0.141 0.000 1.292 42 D CA -0.528 53.398 54.000 -0.124 0.000 0.869 42 D CB 0.298 41.111 40.800 0.021 0.000 1.663 42 D HN 0.076 nan 8.370 nan 0.000 0.557 43 Y N 1.368 121.562 120.300 -0.176 0.000 2.712 43 Y HA 0.156 4.708 4.550 0.003 0.000 0.333 43 Y C 1.335 177.061 175.900 -0.290 0.000 1.225 43 Y CA 0.437 58.210 58.100 -0.545 0.000 1.499 43 Y CB 0.362 38.375 38.460 -0.744 0.000 1.288 43 Y HN 0.113 nan 8.280 nan 0.000 0.575 44 E N 2.229 122.408 120.200 -0.036 0.000 2.242 44 E HA 0.405 4.758 4.350 0.004 0.000 0.275 44 E C -1.459 174.978 176.600 -0.272 0.000 1.002 44 E CA -0.690 55.709 56.400 -0.002 0.000 0.841 44 E CB 1.088 30.852 29.700 0.106 0.000 1.109 44 E HN 0.493 nan 8.360 nan 0.000 0.394 45 Y N 0.678 121.001 120.300 0.039 0.000 2.499 45 Y HA 0.256 4.808 4.550 0.004 0.000 0.347 45 Y C 0.450 176.348 175.900 -0.004 0.000 0.987 45 Y CA -1.157 56.941 58.100 -0.004 0.000 1.044 45 Y CB 1.445 39.903 38.460 -0.004 0.000 1.245 45 Y HN 0.405 nan 8.280 nan 0.000 0.461 46 N N 0.113 118.890 118.700 0.128 0.000 2.399 46 N HA 0.001 4.743 4.740 0.004 0.000 0.250 46 N C 1.038 176.602 175.510 0.090 0.000 1.272 46 N CA 0.567 53.664 53.050 0.079 0.000 0.928 46 N CB 1.105 39.614 38.487 0.037 0.000 1.158 46 N HN 0.795 nan 8.380 nan 0.000 0.463 47 S N 0.263 115.995 115.700 0.053 0.000 2.442 47 S HA -0.183 4.289 4.470 0.004 0.000 0.236 47 S C 1.068 175.683 174.600 0.025 0.000 1.007 47 S CA 0.996 59.217 58.200 0.036 0.000 0.965 47 S CB -0.355 62.859 63.200 0.024 0.000 0.773 47 S HN 0.720 nan 8.310 nan 0.000 0.504 48 N N 1.321 120.039 118.700 0.029 0.000 2.398 48 N HA 0.215 4.957 4.740 0.004 0.000 0.188 48 N C 1.194 176.720 175.510 0.027 0.000 1.122 48 N CA 0.692 53.754 53.050 0.020 0.000 0.866 48 N CB -0.505 37.992 38.487 0.016 0.000 0.970 48 N HN 0.640 nan 8.380 nan 0.000 0.462 49 G N -0.615 108.217 108.800 0.054 0.000 2.157 49 G HA2 -0.279 3.683 3.960 0.004 0.000 0.239 49 G HA3 -0.279 3.683 3.960 0.004 0.000 0.239 49 G C 0.126 175.126 174.900 0.166 0.000 0.982 49 G CA 0.479 45.622 45.100 0.072 0.000 0.650 49 G HN 0.798 nan 8.290 nan 0.000 0.527 50 T N -0.392 114.226 114.554 0.106 0.000 2.899 50 T HA 0.703 5.056 4.350 0.004 0.000 0.284 50 T C 0.708 175.382 174.700 -0.043 0.000 1.004 50 T CA -0.903 61.212 62.100 0.025 0.000 1.043 50 T CB 1.857 70.713 68.868 -0.020 0.000 1.013 50 T HN 0.347 nan 8.240 nan 0.000 0.518 51 I N 2.636 123.040 120.570 -0.277 0.000 2.529 51 I HA 0.266 4.438 4.170 0.004 0.000 0.284 51 I C 0.823 176.768 176.117 -0.286 0.000 1.082 51 I CA -0.296 60.695 61.300 -0.514 0.000 1.406 51 I CB 0.411 37.817 38.000 -0.990 0.000 1.405 51 I HN 0.881 nan 8.210 nan 0.000 0.548 52 K N 3.879 124.163 120.400 -0.193 0.000 2.306 52 K HA 0.483 4.805 4.320 0.004 0.000 0.236 52 K C -0.867 175.741 176.600 0.014 0.000 1.013 52 K CA -0.939 55.303 56.287 -0.076 0.000 0.857 52 K CB 1.239 33.712 32.500 -0.044 0.000 1.214 52 K HN 0.235 nan 8.250 nan 0.000 0.449 53 D N 1.456 121.836 120.400 -0.032 0.000 2.443 53 D HA -0.036 4.606 4.640 0.004 0.000 0.239 53 D C -0.176 176.000 176.300 -0.207 0.000 1.136 53 D CA 0.176 54.115 54.000 -0.101 0.000 0.879 53 D CB 0.357 41.073 40.800 -0.140 0.000 1.195 53 D HN 0.455 nan 8.370 nan 0.000 0.443 54 N N 0.385 118.737 118.700 -0.581 0.000 2.411 54 N HA -0.092 4.650 4.740 0.004 0.000 0.265 54 N C 0.341 175.522 175.510 -0.547 0.000 1.266 54 N CA 0.261 52.897 53.050 -0.691 0.000 0.889 54 N CB 0.356 38.208 38.487 -1.057 0.000 1.069 54 N HN 0.255 nan 8.380 nan 0.000 0.476 55 S N 3.209 118.669 115.700 -0.401 0.000 2.593 55 S HA 0.187 4.659 4.470 0.004 0.000 0.236 55 S C 0.042 174.380 174.600 -0.437 0.000 0.991 55 S CA -0.437 57.469 58.200 -0.490 0.000 0.963 55 S CB -0.319 62.751 63.200 -0.217 0.000 0.865 55 S HN 0.465 nan 8.310 nan 0.000 0.488 56 F N -0.471 119.370 119.950 -0.181 0.000 2.840 56 F HA -0.292 4.237 4.527 0.004 0.000 0.310 56 F C 1.722 177.504 175.800 -0.030 0.000 0.688 56 F CA -0.243 57.627 58.000 -0.217 0.000 1.286 56 F CB -2.166 36.577 39.000 -0.430 0.000 1.612 56 F HN 0.414 nan 8.300 nan 0.000 0.335 57 A N -0.117 122.785 122.820 0.137 0.000 1.978 57 A HA -0.181 4.142 4.320 0.004 0.000 0.220 57 A C 1.987 179.639 177.584 0.115 0.000 1.170 57 A CA 2.166 54.279 52.037 0.128 0.000 0.636 57 A CB -0.356 18.696 19.000 0.086 0.000 0.810 57 A HN 0.464 nan 8.150 nan 0.000 0.448 58 N N -0.275 118.480 118.700 0.091 0.000 2.235 58 N HA 0.168 4.910 4.740 0.004 0.000 0.209 58 N C -0.146 175.357 175.510 -0.013 0.000 1.122 58 N CA 0.104 53.182 53.050 0.046 0.000 0.845 58 N CB 0.278 38.795 38.487 0.050 0.000 1.004 58 N HN 0.420 nan 8.380 nan 0.000 0.499 59 L N 2.014 123.250 121.223 0.022 0.000 2.583 59 L HA 0.150 4.492 4.340 0.004 0.000 0.239 59 L C 0.363 177.259 176.870 0.042 0.000 1.347 59 L CA -0.077 54.743 54.840 -0.032 0.000 1.246 59 L CB -0.634 41.344 42.059 -0.134 0.000 1.496 59 L HN 0.102 nan 8.230 nan 0.000 0.413 60 N N -0.223 118.437 118.700 -0.067 0.000 2.170 60 N HA 0.119 4.862 4.740 0.004 0.000 0.222 60 N C 0.205 175.603 175.510 -0.187 0.000 1.218 60 N CA -0.422 52.565 53.050 -0.106 0.000 0.889 60 N CB 0.673 39.118 38.487 -0.071 0.000 1.083 60 N HN 0.255 nan 8.380 nan 0.000 0.520 61 R N -0.730 119.633 120.500 -0.228 0.000 2.888 61 R HA 0.712 5.055 4.340 0.004 0.000 0.264 61 R C -1.354 174.751 176.300 -0.324 0.000 1.045 61 R CA -0.999 54.952 56.100 -0.248 0.000 0.962 61 R CB 2.278 32.482 30.300 -0.159 0.000 1.210 61 R HN -0.150 nan 8.270 nan 0.000 0.479 62 V N 2.437 122.204 119.914 -0.246 0.000 2.409 62 V HA 0.414 4.536 4.120 0.004 0.000 0.291 62 V C -0.954 175.149 176.094 0.015 0.000 1.020 62 V CA -0.642 61.546 62.300 -0.188 0.000 0.848 62 V CB 1.138 32.866 31.823 -0.157 0.000 0.990 62 V HN 0.449 nan 8.190 nan 0.000 0.430 63 F N 4.151 124.059 119.950 -0.069 0.000 2.399 63 F HA 0.603 5.132 4.527 0.004 0.000 0.342 63 F C 0.314 176.082 175.800 -0.053 0.000 1.106 63 F CA -0.952 57.008 58.000 -0.066 0.000 1.196 63 F CB 1.436 40.402 39.000 -0.058 0.000 1.163 63 F HN 0.132 nan 8.300 nan 0.000 0.547 64 V N 4.890 124.887 119.914 0.139 0.000 2.638 64 V HA 0.590 4.713 4.120 0.004 0.000 0.306 64 V C -0.160 175.968 176.094 0.056 0.000 1.052 64 V CA -0.827 61.456 62.300 -0.029 0.000 0.885 64 V CB 2.013 33.779 31.823 -0.095 0.000 0.999 64 V HN 0.627 nan 8.190 nan 0.000 0.424 65 I N 1.717 122.293 120.570 0.010 0.000 3.042 65 I HA 1.030 5.202 4.170 0.004 0.000 0.310 65 I C -0.368 175.854 176.117 0.175 0.000 1.117 65 I CA -0.564 60.776 61.300 0.066 0.000 1.003 65 I CB 2.661 40.623 38.000 -0.063 0.000 1.228 65 I HN 0.687 nan 8.210 nan 0.000 0.443 66 S N 2.109 117.914 115.700 0.174 0.000 2.607 66 S HA 0.807 5.279 4.470 0.004 0.000 0.273 66 S C -0.922 173.507 174.600 -0.285 0.000 1.148 66 S CA -0.610 57.549 58.200 -0.068 0.000 0.833 66 S CB 1.759 64.668 63.200 -0.485 0.000 1.130 66 S HN 1.023 nan 8.310 nan 0.000 0.470 67 S N -0.611 114.695 115.700 -0.656 0.000 2.537 67 S HA 0.716 5.189 4.470 0.004 0.000 0.270 67 S C 0.172 174.428 174.600 -0.574 0.000 1.142 67 S CA -0.088 57.579 58.200 -0.889 0.000 0.870 67 S CB 1.367 63.450 63.200 -1.862 0.000 1.112 67 S HN 1.653 nan 8.310 nan 0.000 0.466 68 A N 1.880 124.486 122.820 -0.356 0.000 2.267 68 A HA 0.278 4.600 4.320 0.004 0.000 0.213 68 A C 0.721 178.310 177.584 0.009 0.000 1.192 68 A CA 1.051 53.050 52.037 -0.065 0.000 0.851 68 A CB -0.298 18.660 19.000 -0.070 0.000 0.881 68 A HN 0.872 nan 8.150 nan 0.000 0.494 69 D N -4.302 115.985 120.400 -0.189 0.000 2.516 69 D HA 0.133 4.775 4.640 0.004 0.000 0.241 69 D C 0.701 176.899 176.300 -0.171 0.000 1.246 69 D CA 0.281 54.206 54.000 -0.125 0.000 0.808 69 D CB 0.134 40.847 40.800 -0.145 0.000 1.147 69 D HN -0.012 nan 8.370 nan 0.000 0.527 70 M N -0.721 118.650 119.600 -0.382 0.000 2.990 70 M HA -0.193 4.289 4.480 0.004 0.000 0.206 70 M C 0.383 176.554 176.300 -0.214 0.000 0.594 70 M CA 0.702 55.828 55.300 -0.291 0.000 0.787 70 M CB -2.033 30.534 32.600 -0.055 0.000 2.812 70 M HN 0.237 nan 8.290 nan 0.000 0.300 71 V N -1.065 118.615 119.914 -0.390 0.000 3.058 71 V HA 0.196 4.319 4.120 0.004 0.000 0.233 71 V C 0.950 176.750 176.094 -0.490 0.000 1.255 71 V CA 0.594 62.725 62.300 -0.282 0.000 1.267 71 V CB 0.374 32.093 31.823 -0.173 0.000 1.049 71 V HN 0.378 nan 8.190 nan 0.000 0.486 72 N N 0.595 118.951 118.700 -0.573 0.000 2.422 72 N HA 0.213 4.955 4.740 0.004 0.000 0.264 72 N C -1.504 173.558 175.510 -0.747 0.000 1.063 72 N CA 0.010 52.758 53.050 -0.503 0.000 0.959 72 N CB 0.884 39.180 38.487 -0.319 0.000 1.087 72 N HN 0.341 nan 8.380 nan 0.000 0.483 73 W N 0.765 121.834 121.300 -0.384 0.000 2.475 73 W HA 0.265 4.929 4.660 0.007 0.000 0.317 73 W C 0.196 176.417 176.519 -0.496 0.000 1.046 73 W CA -0.594 56.505 57.345 -0.409 0.000 1.215 73 W CB 1.165 30.386 29.460 -0.398 0.000 1.335 73 W HN 0.165 nan 8.180 nan 0.000 0.471 74 T N 2.779 117.172 114.554 -0.269 0.000 2.780 74 T HA 0.026 4.378 4.350 0.004 0.000 0.294 74 T C -0.475 173.931 174.700 -0.490 0.000 0.949 74 T CA -0.332 61.515 62.100 -0.421 0.000 1.074 74 T CB 0.544 69.114 68.868 -0.497 0.000 0.910 74 T HN 0.217 nan 8.240 nan 0.000 0.501 75 D N 1.659 121.810 120.400 -0.414 0.000 2.316 75 D HA 0.052 4.694 4.640 0.004 0.000 0.245 75 D C 0.534 176.649 176.300 -0.308 0.000 1.171 75 D CA -0.287 53.559 54.000 -0.256 0.000 0.856 75 D CB 0.546 41.321 40.800 -0.043 0.000 1.090 75 D HN 0.571 nan 8.370 nan 0.000 0.476 76 H N 2.810 121.861 119.070 -0.032 0.000 2.529 76 H HA 0.226 4.783 4.556 0.003 0.000 0.277 76 H C 1.455 176.767 175.328 -0.026 0.000 1.004 76 H CA 0.472 56.505 56.048 -0.024 0.000 1.167 76 H CB 0.614 30.378 29.762 0.003 0.000 1.445 76 H HN 0.706 nan 8.280 nan 0.000 0.554 77 G N 0.949 109.757 108.800 0.014 0.000 2.553 77 G HA2 -0.134 3.828 3.960 0.004 0.000 0.242 77 G HA3 -0.134 3.828 3.960 0.004 0.000 0.242 77 G C -0.483 174.417 174.900 0.000 0.000 1.277 77 G CA -0.199 44.868 45.100 -0.055 0.000 0.910 77 G HN 0.617 nan 8.290 nan 0.000 0.576 78 A N -0.740 122.101 122.820 0.034 0.000 2.355 78 A HA 0.790 5.113 4.320 0.004 0.000 0.317 78 A C -0.084 177.548 177.584 0.080 0.000 1.094 78 A CA -0.460 51.667 52.037 0.150 0.000 0.764 78 A CB 0.983 20.107 19.000 0.207 0.000 1.230 78 A HN 1.153 nan 8.150 nan 0.000 0.448 79 I N 3.673 124.267 120.570 0.040 0.000 2.325 79 I HA 0.287 4.459 4.170 0.004 0.000 0.291 79 I C -1.871 174.181 176.117 -0.107 0.000 1.019 79 I CA -1.882 59.392 61.300 -0.043 0.000 1.302 79 I CB 1.827 39.697 38.000 -0.216 0.000 1.401 79 I HN 0.420 nan 8.210 nan 0.000 0.485 80 P HA 0.086 nan 4.420 nan 0.000 0.231 80 P C 0.889 178.071 177.300 -0.196 0.000 1.811 80 P CA -0.031 63.002 63.100 -0.112 0.000 1.051 80 P CB 0.504 32.168 31.700 -0.061 0.000 1.951 81 V N 2.018 121.745 119.914 -0.310 0.000 2.270 81 V HA -0.148 3.974 4.120 0.004 0.000 0.245 81 V C 1.554 177.353 176.094 -0.491 0.000 1.043 81 V CA 2.011 64.016 62.300 -0.491 0.000 1.014 81 V CB -1.079 30.279 31.823 -0.775 0.000 0.645 81 V HN 0.421 nan 8.190 nan 0.000 0.447 82 A N 0.131 122.695 122.820 -0.426 0.000 2.450 82 A HA 0.526 4.849 4.320 0.004 0.000 0.255 82 A C 1.114 178.545 177.584 -0.256 0.000 1.096 82 A CA 0.441 52.255 52.037 -0.372 0.000 0.778 82 A CB 0.478 19.314 19.000 -0.272 0.000 1.031 82 A HN 0.511 nan 8.150 nan 0.000 0.494 83 G N 0.788 109.435 108.800 -0.254 0.000 3.274 83 G HA2 0.469 4.431 3.960 0.004 0.000 0.250 83 G HA3 0.469 4.431 3.960 0.004 0.000 0.250 83 G C 0.509 175.345 174.900 -0.107 0.000 1.024 83 G CA 0.809 45.817 45.100 -0.155 0.000 0.840 83 G HN 1.159 nan 8.290 nan 0.000 0.522 84 A N 0.452 123.200 122.820 -0.120 0.000 2.264 84 A HA 0.654 4.976 4.320 0.004 0.000 0.304 84 A C 0.932 178.492 177.584 -0.040 0.000 1.100 84 A CA -0.001 52.000 52.037 -0.059 0.000 0.839 84 A CB 0.637 19.609 19.000 -0.046 0.000 1.121 84 A HN 0.277 nan 8.150 nan 0.000 0.496 85 N N -0.269 118.423 118.700 -0.014 0.000 1.192 85 N HA -0.254 4.488 4.740 0.004 0.000 0.127 85 N C 1.185 176.691 175.510 -0.007 0.000 0.811 85 N CA 1.821 54.869 53.050 -0.004 0.000 0.897 85 N CB -1.442 37.045 38.487 0.000 0.000 1.110 85 N HN 1.151 nan 8.380 nan 0.000 0.573 86 G N 0.311 109.109 108.800 -0.003 0.000 2.650 86 G HA2 0.310 4.272 3.960 0.004 0.000 0.214 86 G HA3 0.310 4.272 3.960 0.004 0.000 0.214 86 G C 0.532 175.425 174.900 -0.012 0.000 1.136 86 G CA 0.991 46.090 45.100 -0.002 0.000 0.789 86 G HN 0.913 nan 8.290 nan 0.000 0.536 87 A N 0.849 123.653 122.820 -0.027 0.000 2.566 87 A HA 0.314 4.636 4.320 0.004 0.000 0.245 87 A C 1.073 178.629 177.584 -0.046 0.000 1.056 87 A CA 0.265 52.275 52.037 -0.044 0.000 0.757 87 A CB -0.175 18.779 19.000 -0.077 0.000 0.979 87 A HN 0.455 nan 8.150 nan 0.000 0.508 88 N N 0.947 119.624 118.700 -0.038 0.000 2.741 88 N HA -0.204 4.538 4.740 0.004 0.000 0.250 88 N C 0.825 176.321 175.510 -0.023 0.000 1.115 88 N CA 1.906 54.935 53.050 -0.035 0.000 0.724 88 N CB -1.483 36.969 38.487 -0.058 0.000 1.090 88 N HN 2.108 nan 8.380 nan 0.000 0.558 89 G N -0.777 108.014 108.800 -0.015 0.000 2.321 89 G HA2 -0.035 3.927 3.960 0.004 0.000 0.287 89 G HA3 -0.035 3.927 3.960 0.004 0.000 0.287 89 G C 1.182 176.077 174.900 -0.009 0.000 1.018 89 G CA 1.442 46.537 45.100 -0.008 0.000 0.855 89 G HN 1.624 nan 8.290 nan 0.000 0.507 90 G N -1.444 107.347 108.800 -0.014 0.000 2.176 90 G HA2 -0.310 3.653 3.960 0.004 0.000 0.253 90 G HA3 -0.310 3.653 3.960 0.004 0.000 0.253 90 G C 0.946 175.837 174.900 -0.014 0.000 0.979 90 G CA 1.055 46.148 45.100 -0.012 0.000 0.641 90 G HN 0.986 nan 8.290 nan 0.000 0.530 91 R N 0.709 121.198 120.500 -0.019 0.000 2.334 91 R HA 0.334 4.676 4.340 0.004 0.000 0.216 91 R C 1.700 177.980 176.300 -0.033 0.000 0.905 91 R CA 0.286 56.375 56.100 -0.018 0.000 1.064 91 R CB 0.350 30.641 30.300 -0.014 0.000 1.046 91 R HN 0.398 nan 8.270 nan 0.000 0.508 92 G N 0.619 109.387 108.800 -0.053 0.000 2.432 92 G HA2 0.043 4.005 3.960 0.004 0.000 0.239 92 G HA3 0.043 4.005 3.960 0.004 0.000 0.239 92 G C 0.732 175.581 174.900 -0.085 0.000 1.291 92 G CA -0.316 44.729 45.100 -0.092 0.000 0.863 92 G HN 0.075 nan 8.290 nan 0.000 0.560 93 I N 1.729 122.231 120.570 -0.113 0.000 2.429 93 I HA 0.063 4.235 4.170 0.004 0.000 0.247 93 I C 2.063 178.142 176.117 -0.064 0.000 1.099 93 I CA 0.807 62.071 61.300 -0.061 0.000 1.422 93 I CB 0.006 37.984 38.000 -0.037 0.000 1.112 93 I HN 0.455 nan 8.210 nan 0.000 0.430 94 A N 1.494 124.200 122.820 -0.190 0.000 2.506 94 A HA 0.226 4.548 4.320 0.004 0.000 0.320 94 A C 0.905 178.256 177.584 -0.388 0.000 1.424 94 A CA -0.424 51.440 52.037 -0.287 0.000 1.044 94 A CB 0.034 18.720 19.000 -0.524 0.000 1.140 94 A HN 0.042 nan 8.150 nan 0.000 0.538 95 K N 2.133 122.466 120.400 -0.112 0.000 2.362 95 K HA -0.096 4.226 4.320 0.004 0.000 0.200 95 K C 1.443 178.041 176.600 -0.003 0.000 1.046 95 K CA 1.013 57.275 56.287 -0.041 0.000 0.952 95 K CB -0.079 32.455 32.500 0.057 0.000 0.753 95 K HN 1.037 nan 8.250 nan 0.000 0.466 96 W N 0.476 121.800 121.300 0.040 0.000 3.003 96 W HA 0.341 5.003 4.660 0.003 0.000 0.257 96 W C 0.057 176.601 176.519 0.041 0.000 1.308 96 W CA -0.344 57.023 57.345 0.036 0.000 1.529 96 W CB -0.230 29.254 29.460 0.039 0.000 1.115 96 W HN -0.192 nan 8.180 nan 0.000 0.659 97 A N 1.512 123.948 122.820 -0.640 0.000 2.288 97 A HA 0.608 4.930 4.320 0.004 0.000 0.320 97 A C 1.097 178.495 177.584 -0.310 0.000 1.217 97 A CA 0.064 51.737 52.037 -0.607 0.000 0.840 97 A CB 1.060 19.402 19.000 -1.096 0.000 1.179 97 A HN 0.215 nan 8.150 nan 0.000 0.504 98 G N 0.983 109.685 108.800 -0.163 0.000 2.712 98 G HA2 0.447 4.409 3.960 0.004 0.000 0.212 98 G HA3 0.447 4.409 3.960 0.004 0.000 0.212 98 G C 0.500 175.335 174.900 -0.108 0.000 1.142 98 G CA 1.023 46.058 45.100 -0.108 0.000 0.789 98 G HN 1.458 nan 8.290 nan 0.000 0.535 99 A N -0.427 122.300 122.820 -0.156 0.000 2.587 99 A HA 0.703 5.025 4.320 0.004 0.000 0.293 99 A C -0.475 177.029 177.584 -0.133 0.000 1.087 99 A CA -0.016 51.954 52.037 -0.111 0.000 0.692 99 A CB 1.213 20.105 19.000 -0.180 0.000 1.291 99 A HN 0.769 nan 8.150 nan 0.000 0.407 100 S N 0.197 115.882 115.700 -0.025 0.000 2.293 100 S HA 0.487 4.960 4.470 0.004 0.000 0.154 100 S C -1.394 173.320 174.600 0.191 0.000 1.602 100 S CA -0.423 57.751 58.200 -0.043 0.000 1.260 100 S CB -0.271 62.642 63.200 -0.478 0.000 1.270 100 S HN 0.585 nan 8.310 nan 0.000 0.416 101 W N 1.578 122.866 121.300 -0.020 0.000 2.316 101 W HA 0.663 5.326 4.660 0.004 0.000 0.321 101 W C 0.841 177.302 176.519 -0.097 0.000 1.203 101 W CA -0.595 56.671 57.345 -0.131 0.000 1.214 101 W CB 0.310 29.670 29.460 -0.166 0.000 1.169 101 W HN 1.207 nan 8.180 nan 0.000 0.561 102 A N 3.061 125.885 122.820 0.006 0.000 2.360 102 A HA -0.149 4.173 4.320 0.004 0.000 0.289 102 A C -2.159 175.474 177.584 0.082 0.000 1.437 102 A CA -0.280 51.711 52.037 -0.077 0.000 0.734 102 A CB -2.008 16.918 19.000 -0.123 0.000 1.145 102 A HN 0.278 nan 8.150 nan 0.000 0.374 103 P HA 0.405 nan 4.420 nan 0.000 0.272 103 P C 0.163 177.553 177.300 0.149 0.000 1.230 103 P CA 0.158 63.336 63.100 0.130 0.000 0.788 103 P CB 1.412 33.151 31.700 0.065 0.000 0.949 104 S N 0.610 116.419 115.700 0.183 0.000 2.568 104 S HA 0.730 5.203 4.470 0.004 0.000 0.293 104 S C -1.153 173.556 174.600 0.181 0.000 1.089 104 S CA -0.656 57.659 58.200 0.192 0.000 0.945 104 S CB 0.614 63.944 63.200 0.218 0.000 1.077 104 S HN 0.371 nan 8.310 nan 0.000 0.485 105 I N 2.482 123.130 120.570 0.129 0.000 2.686 105 I HA 0.862 5.034 4.170 0.004 0.000 0.295 105 I C -0.900 175.356 176.117 0.233 0.000 1.114 105 I CA -0.221 61.108 61.300 0.049 0.000 1.038 105 I CB 1.680 39.453 38.000 -0.378 0.000 1.238 105 I HN 0.814 nan 8.210 nan 0.000 0.420 106 A N 5.794 128.815 122.820 0.335 0.000 2.539 106 A HA 0.839 5.162 4.320 0.004 0.000 0.296 106 A C -1.875 175.885 177.584 0.292 0.000 1.073 106 A CA -0.621 51.611 52.037 0.326 0.000 0.700 106 A CB 1.847 21.066 19.000 0.366 0.000 1.296 106 A HN 0.899 nan 8.150 nan 0.000 0.405 107 V N 1.154 121.147 119.914 0.132 0.000 2.680 107 V HA 0.850 4.973 4.120 0.004 0.000 0.309 107 V C -0.668 175.410 176.094 -0.027 0.000 1.052 107 V CA -0.544 61.665 62.300 -0.152 0.000 0.908 107 V CB 1.702 33.284 31.823 -0.402 0.000 1.001 107 V HN 1.005 nan 8.190 nan 0.000 0.431 108 K N 4.638 125.016 120.400 -0.037 0.000 2.535 108 K HA 0.441 4.763 4.320 0.004 0.000 0.251 108 K C -1.109 175.478 176.600 -0.021 0.000 0.942 108 K CA -0.760 55.540 56.287 0.021 0.000 0.798 108 K CB 1.864 34.410 32.500 0.078 0.000 1.267 108 K HN 0.709 nan 8.250 nan 0.000 0.434 109 K N 5.156 125.548 120.400 -0.013 0.000 2.349 109 K HA 0.252 4.574 4.320 0.004 0.000 0.289 109 K C -0.909 175.696 176.600 0.009 0.000 1.064 109 K CA -0.124 56.158 56.287 -0.009 0.000 0.947 109 K CB 0.314 32.821 32.500 0.011 0.000 1.007 109 K HN 0.482 nan 8.250 nan 0.000 0.478 110 I N 4.195 124.772 120.570 0.012 0.000 2.418 110 I HA 0.123 4.295 4.170 0.004 0.000 0.287 110 I C -0.271 175.854 176.117 0.014 0.000 1.008 110 I CA -0.781 60.534 61.300 0.024 0.000 1.104 110 I CB 1.541 39.575 38.000 0.057 0.000 1.264 110 I HN 0.809 nan 8.210 nan 0.000 0.438 111 N N 4.673 123.380 118.700 0.012 0.000 2.725 111 N HA -0.215 4.527 4.740 0.004 0.000 0.251 111 N C 0.923 176.438 175.510 0.008 0.000 1.031 111 N CA 0.585 53.640 53.050 0.009 0.000 0.720 111 N CB -0.708 37.785 38.487 0.008 0.000 0.930 111 N HN 1.188 nan 8.380 nan 0.000 0.543 112 G N -0.721 108.084 108.800 0.009 0.000 2.184 112 G HA2 -0.392 3.570 3.960 0.004 0.000 0.264 112 G HA3 -0.392 3.570 3.960 0.004 0.000 0.264 112 G C 0.021 174.929 174.900 0.013 0.000 0.975 112 G CA 0.929 46.036 45.100 0.011 0.000 0.642 112 G HN 0.599 nan 8.290 nan 0.000 0.536 113 K N 0.773 121.177 120.400 0.006 0.000 2.345 113 K HA 0.435 4.757 4.320 0.004 0.000 0.255 113 K C -1.113 175.471 176.600 -0.026 0.000 0.934 113 K CA -0.906 55.383 56.287 0.002 0.000 0.801 113 K CB 0.950 33.448 32.500 -0.004 0.000 1.137 113 K HN -0.005 nan 8.250 nan 0.000 0.424 114 D N 3.814 124.197 120.400 -0.028 0.000 2.417 114 D HA 0.103 4.745 4.640 0.004 0.000 0.250 114 D C -0.434 175.664 176.300 -0.337 0.000 1.166 114 D CA 0.444 54.338 54.000 -0.177 0.000 0.881 114 D CB 0.828 41.565 40.800 -0.105 0.000 1.164 114 D HN 0.189 nan 8.370 nan 0.000 0.467 115 K N 2.187 122.298 120.400 -0.482 0.000 2.316 115 K HA 0.463 4.785 4.320 0.004 0.000 0.251 115 K C -0.589 175.476 176.600 -0.892 0.000 0.934 115 K CA -0.712 55.269 56.287 -0.509 0.000 0.802 115 K CB 1.549 33.896 32.500 -0.256 0.000 1.171 115 K HN 0.234 nan 8.250 nan 0.000 0.426 116 F N 1.618 121.163 119.950 -0.674 0.000 2.508 116 F HA 0.518 5.047 4.527 0.003 0.000 0.325 116 F C -0.255 175.115 175.800 -0.716 0.000 1.090 116 F CA -0.852 56.846 58.000 -0.504 0.000 0.945 116 F CB 1.180 39.957 39.000 -0.371 0.000 1.156 116 F HN 0.281 nan 8.300 nan 0.000 0.463 117 F N 3.453 123.544 119.950 0.235 0.000 2.536 117 F HA 0.492 5.021 4.527 0.003 0.000 0.322 117 F C -0.903 174.864 175.800 -0.055 0.000 1.144 117 F CA -0.842 57.193 58.000 0.059 0.000 0.924 117 F CB 1.732 40.720 39.000 -0.020 0.000 1.181 117 F HN 0.171 nan 8.300 nan 0.000 0.438 118 L N 5.224 126.408 121.223 -0.065 0.000 2.280 118 L HA 0.554 4.896 4.340 0.004 0.000 0.287 118 L C -1.482 175.261 176.870 -0.213 0.000 1.023 118 L CA -0.637 54.060 54.840 -0.237 0.000 0.819 118 L CB 0.181 41.841 42.059 -0.665 0.000 1.212 118 L HN 0.440 nan 8.230 nan 0.000 0.420 119 Y N 5.560 125.926 120.300 0.110 0.000 2.387 119 Y HA 0.692 5.244 4.550 0.003 0.000 0.330 119 Y C -0.165 175.840 175.900 0.175 0.000 1.133 119 Y CA -0.380 57.779 58.100 0.098 0.000 1.152 119 Y CB 1.401 39.898 38.460 0.063 0.000 1.215 119 Y HN 0.568 nan 8.280 nan 0.000 0.466 120 F N -0.765 119.290 119.950 0.174 0.000 2.686 120 F HA 0.908 5.437 4.527 0.003 0.000 0.311 120 F C -1.361 174.517 175.800 0.131 0.000 1.128 120 F CA -1.940 56.120 58.000 0.100 0.000 0.946 120 F CB 0.897 39.893 39.000 -0.007 0.000 1.336 120 F HN 0.491 nan 8.300 nan 0.000 0.457 121 A N 1.634 124.603 122.820 0.248 0.000 2.292 121 A HA 0.511 4.833 4.320 0.004 0.000 0.319 121 A C -0.768 176.858 177.584 0.070 0.000 1.206 121 A CA -0.704 51.413 52.037 0.133 0.000 0.835 121 A CB 0.499 19.616 19.000 0.196 0.000 1.164 121 A HN 0.749 nan 8.150 nan 0.000 0.505 122 N N 2.314 121.029 118.700 0.025 0.000 2.895 122 N HA 0.281 5.023 4.740 0.004 0.000 0.277 122 N C 0.428 175.713 175.510 -0.376 0.000 1.185 122 N CA 1.099 54.099 53.050 -0.083 0.000 1.106 122 N CB -0.824 37.747 38.487 0.141 0.000 1.422 122 N HN 0.690 nan 8.380 nan 0.000 0.521 123 S N 1.135 116.241 115.700 -0.989 0.000 3.736 123 S HA -0.234 4.239 4.470 0.004 0.000 0.627 123 S C 1.142 175.318 174.600 -0.707 0.000 2.426 123 S CA 1.121 58.352 58.200 -1.614 0.000 4.022 123 S CB -1.308 61.312 63.200 -0.967 0.000 0.237 123 S HN 0.678 nan 8.310 nan 0.000 0.967 124 G N 0.364 108.893 108.800 -0.451 0.000 3.314 124 G HA2 0.449 4.411 3.960 0.004 0.000 0.238 124 G HA3 0.449 4.411 3.960 0.004 0.000 0.238 124 G C 0.690 175.531 174.900 -0.099 0.000 1.184 124 G CA 0.718 45.673 45.100 -0.242 0.000 0.806 124 G HN 1.071 nan 8.290 nan 0.000 0.536 125 G N -0.965 107.785 108.800 -0.083 0.000 3.062 125 G HA2 0.512 4.474 3.960 0.004 0.000 0.228 125 G HA3 0.512 4.474 3.960 0.004 0.000 0.228 125 G C 0.484 175.391 174.900 0.012 0.000 1.094 125 G CA 0.478 45.565 45.100 -0.022 0.000 0.782 125 G HN 0.810 nan 8.290 nan 0.000 0.541 126 G N -0.333 108.487 108.800 0.033 0.000 2.325 126 G HA2 0.391 4.353 3.960 0.004 0.000 0.297 126 G HA3 0.391 4.353 3.960 0.004 0.000 0.297 126 G C -1.902 173.028 174.900 0.051 0.000 1.448 126 G CA -0.823 44.300 45.100 0.039 0.000 0.838 126 G HN 0.071 nan 8.290 nan 0.000 0.579 127 I N 0.997 121.568 120.570 0.003 0.000 2.433 127 I HA 0.645 4.817 4.170 0.004 0.000 0.292 127 I C 0.853 176.889 176.117 -0.136 0.000 1.001 127 I CA -0.435 60.835 61.300 -0.051 0.000 1.119 127 I CB 0.953 38.960 38.000 0.012 0.000 1.289 127 I HN 0.783 nan 8.210 nan 0.000 0.438 128 G N 4.074 112.596 108.800 -0.463 0.000 2.537 128 G HA2 0.658 4.620 3.960 0.004 0.000 0.323 128 G HA3 0.658 4.620 3.960 0.004 0.000 0.323 128 G C -1.435 173.193 174.900 -0.455 0.000 1.207 128 G CA -0.621 44.224 45.100 -0.424 0.000 0.976 128 G HN 0.405 nan 8.290 nan 0.000 0.487 129 V N 0.347 120.234 119.914 -0.045 0.000 2.808 129 V HA 0.688 4.810 4.120 0.004 0.000 0.308 129 V C -0.970 175.232 176.094 0.180 0.000 1.099 129 V CA -0.781 61.486 62.300 -0.056 0.000 0.920 129 V CB 1.628 33.327 31.823 -0.206 0.000 1.014 129 V HN 0.638 nan 8.190 nan 0.000 0.425 130 L N 4.979 126.298 121.223 0.161 0.000 2.322 130 L HA 0.810 5.152 4.340 0.004 0.000 0.269 130 L C 0.093 177.133 176.870 0.282 0.000 1.012 130 L CA -0.602 54.377 54.840 0.233 0.000 0.815 130 L CB 2.380 44.557 42.059 0.196 0.000 1.295 130 L HN 0.795 nan 8.230 nan 0.000 0.438 131 T N -1.071 113.652 114.554 0.282 0.000 2.908 131 T HA 0.904 5.257 4.350 0.004 0.000 0.290 131 T C -0.575 174.091 174.700 -0.058 0.000 1.034 131 T CA -0.673 61.460 62.100 0.056 0.000 1.010 131 T CB 2.378 71.208 68.868 -0.064 0.000 1.068 131 T HN 0.858 nan 8.240 nan 0.000 0.481 132 A N 1.024 123.613 122.820 -0.386 0.000 2.602 132 A HA 0.681 5.003 4.320 0.004 0.000 0.290 132 A C -0.477 176.881 177.584 -0.377 0.000 1.114 132 A CA -0.778 50.880 52.037 -0.632 0.000 0.683 132 A CB 1.157 19.216 19.000 -1.570 0.000 1.281 132 A HN 0.728 nan 8.150 nan 0.000 0.416 133 D N 0.568 120.767 120.400 -0.335 0.000 2.369 133 D HA 0.198 4.840 4.640 0.004 0.000 0.211 133 D C 0.490 176.692 176.300 -0.164 0.000 1.077 133 D CA 1.282 55.201 54.000 -0.135 0.000 0.842 133 D CB 0.592 41.313 40.800 -0.132 0.000 0.947 133 D HN 0.622 nan 8.370 nan 0.000 0.509 134 S N -0.432 114.925 115.700 -0.572 0.000 2.618 134 S HA 0.438 4.910 4.470 0.004 0.000 0.277 134 S C -2.440 171.195 174.600 -1.609 0.000 1.138 134 S CA -1.116 56.502 58.200 -0.970 0.000 0.844 134 S CB 2.819 65.678 63.200 -0.568 0.000 1.127 134 S HN -0.321 nan 8.310 nan 0.000 0.474 135 P HA 0.071 nan 4.420 nan 0.000 0.228 135 P C 1.040 178.041 177.300 -0.498 0.000 1.151 135 P CA 0.787 63.092 63.100 -1.325 0.000 0.770 135 P CB -0.443 30.333 31.700 -1.540 0.000 0.786 136 I N -5.809 114.454 120.570 -0.512 0.000 3.936 136 I HA 0.563 4.735 4.170 0.004 0.000 0.330 136 I C 0.589 176.578 176.117 -0.214 0.000 1.509 136 I CA -0.393 60.797 61.300 -0.182 0.000 1.126 136 I CB 0.115 37.938 38.000 -0.296 0.000 1.115 136 I HN -0.042 nan 8.210 nan 0.000 0.424 137 G N 2.455 110.790 108.800 -0.774 0.000 2.627 137 G HA2 -0.159 3.803 3.960 0.004 0.000 0.214 137 G HA3 -0.159 3.803 3.960 0.004 0.000 0.214 137 G C -2.956 171.574 174.900 -0.617 0.000 1.331 137 G CA -0.501 43.910 45.100 -1.148 0.000 0.891 137 G HN 0.253 nan 8.290 nan 0.000 0.539 138 P HA 0.433 nan 4.420 nan 0.000 0.272 138 P C -0.782 176.214 177.300 -0.507 0.000 1.230 138 P CA -0.049 62.841 63.100 -0.350 0.000 0.788 138 P CB 0.424 32.031 31.700 -0.155 0.000 0.949 139 W N -0.249 121.007 121.300 -0.073 0.000 2.570 139 W HA 0.488 5.150 4.660 0.003 0.000 0.337 139 W C 0.038 176.531 176.519 -0.044 0.000 1.067 139 W CA -0.120 57.185 57.345 -0.067 0.000 1.229 139 W CB 1.373 30.793 29.460 -0.065 0.000 1.355 139 W HN 0.099 nan 8.180 nan 0.000 0.555 140 T N 1.477 116.158 114.554 0.210 0.000 2.876 140 T HA 0.146 4.498 4.350 0.004 0.000 0.289 140 T C -1.431 173.375 174.700 0.177 0.000 1.014 140 T CA -0.603 61.578 62.100 0.136 0.000 0.986 140 T CB 1.466 70.374 68.868 0.065 0.000 1.021 140 T HN 0.235 nan 8.240 nan 0.000 0.458 141 D N 3.186 123.685 120.400 0.165 0.000 2.485 141 D HA 0.293 4.935 4.640 0.004 0.000 0.221 141 D C -1.074 175.330 176.300 0.173 0.000 1.112 141 D CA -2.271 51.858 54.000 0.215 0.000 0.911 141 D CB 1.151 42.109 40.800 0.265 0.000 1.019 141 D HN 0.144 nan 8.370 nan 0.000 0.516 142 P HA 0.025 nan 4.420 nan 0.000 0.225 142 P C 1.335 178.685 177.300 0.084 0.000 1.156 142 P CA 0.454 63.617 63.100 0.104 0.000 0.787 142 P CB 0.746 32.507 31.700 0.101 0.000 0.802 143 I N -0.994 119.629 120.570 0.089 0.000 2.556 143 I HA 0.142 4.314 4.170 0.004 0.000 0.251 143 I C 1.804 177.925 176.117 0.005 0.000 1.105 143 I CA 1.045 62.357 61.300 0.020 0.000 1.436 143 I CB -0.743 37.234 38.000 -0.037 0.000 1.139 143 I HN 0.024 nan 8.210 nan 0.000 0.438 144 G N 1.585 110.433 108.800 0.080 0.000 2.176 144 G HA2 -0.233 3.729 3.960 0.004 0.000 0.253 144 G HA3 -0.233 3.729 3.960 0.004 0.000 0.253 144 G C 0.218 175.013 174.900 -0.175 0.000 0.979 144 G CA 0.100 45.272 45.100 0.119 0.000 0.641 144 G HN 0.367 nan 8.290 nan 0.000 0.530 145 K N -0.114 119.910 120.400 -0.626 0.000 2.533 145 K HA 0.490 4.813 4.320 0.004 0.000 0.272 145 K C -2.876 172.842 176.600 -1.470 0.000 0.985 145 K CA -2.047 53.599 56.287 -1.068 0.000 0.876 145 K CB 2.817 35.026 32.500 -0.485 0.000 1.452 145 K HN -0.073 nan 8.250 nan 0.000 0.439 146 P HA -0.036 nan 4.420 nan 0.000 0.267 146 P C 0.359 177.378 177.300 -0.469 0.000 1.200 146 P CA -0.130 62.348 63.100 -1.035 0.000 0.772 146 P CB 0.586 31.912 31.700 -0.623 0.000 0.855 147 L N 3.890 124.953 121.223 -0.266 0.000 2.072 147 L HA 0.019 4.361 4.340 0.004 0.000 0.205 147 L C 0.406 177.212 176.870 -0.107 0.000 1.079 147 L CA 1.796 56.559 54.840 -0.128 0.000 0.752 147 L CB 0.113 42.160 42.059 -0.021 0.000 0.906 147 L HN 0.103 nan 8.230 nan 0.000 0.436 148 V N -0.054 119.802 119.914 -0.097 0.000 2.531 148 V HA 0.538 4.660 4.120 0.004 0.000 0.301 148 V C -0.131 175.920 176.094 -0.070 0.000 1.034 148 V CA -0.047 62.213 62.300 -0.067 0.000 0.865 148 V CB 1.431 33.237 31.823 -0.030 0.000 0.995 148 V HN 0.447 nan 8.190 nan 0.000 0.424 149 T N 1.988 116.503 114.554 -0.066 0.000 2.864 149 T HA 0.541 4.893 4.350 0.004 0.000 0.289 149 T C -2.431 172.247 174.700 -0.037 0.000 1.082 149 T CA -2.139 59.927 62.100 -0.055 0.000 1.009 149 T CB 2.246 71.069 68.868 -0.075 0.000 1.234 149 T HN 0.306 nan 8.240 nan 0.000 0.526 150 P HA 0.023 nan 4.420 nan 0.000 0.223 150 P C 1.220 178.501 177.300 -0.031 0.000 1.144 150 P CA 0.767 63.852 63.100 -0.025 0.000 0.783 150 P CB -0.040 31.647 31.700 -0.021 0.000 0.771 151 S N -2.273 113.404 115.700 -0.038 0.000 2.528 151 S HA 0.019 4.491 4.470 0.004 0.000 0.219 151 S C 0.819 175.395 174.600 -0.041 0.000 0.985 151 S CA 0.425 58.602 58.200 -0.039 0.000 0.914 151 S CB -0.754 62.422 63.200 -0.041 0.000 0.776 151 S HN 0.195 nan 8.310 nan 0.000 0.526 152 T N 4.883 119.411 114.554 -0.044 0.000 2.908 152 T HA 0.120 4.472 4.350 0.004 0.000 0.301 152 T C -2.546 172.130 174.700 -0.039 0.000 1.019 152 T CA -0.673 61.400 62.100 -0.045 0.000 1.152 152 T CB 0.289 69.129 68.868 -0.046 0.000 0.966 152 T HN 0.055 nan 8.240 nan 0.000 0.540 153 P HA 0.191 nan 4.420 nan 0.000 0.262 153 P C 1.044 178.322 177.300 -0.037 0.000 1.182 153 P CA 0.816 63.894 63.100 -0.036 0.000 0.761 153 P CB 0.239 31.918 31.700 -0.036 0.000 0.795 154 G N 3.018 111.797 108.800 -0.035 0.000 2.195 154 G HA2 -0.275 3.687 3.960 0.004 0.000 0.246 154 G HA3 -0.275 3.687 3.960 0.004 0.000 0.246 154 G C 0.802 175.681 174.900 -0.035 0.000 0.984 154 G CA -0.032 45.046 45.100 -0.036 0.000 0.633 154 G HN 0.420 nan 8.290 nan 0.000 0.525 155 M N 1.775 121.355 119.600 -0.033 0.000 2.502 155 M HA 0.215 4.697 4.480 0.004 0.000 0.243 155 M C 1.669 177.952 176.300 -0.029 0.000 1.130 155 M CA 0.857 56.141 55.300 -0.027 0.000 1.055 155 M CB -0.393 32.193 32.600 -0.023 0.000 1.457 155 M HN 0.673 nan 8.290 nan 0.000 0.488 156 S N 0.185 115.865 115.700 -0.033 0.000 2.560 156 S HA 0.438 4.910 4.470 0.004 0.000 0.284 156 S C 1.350 175.925 174.600 -0.042 0.000 1.327 156 S CA 0.524 58.703 58.200 -0.035 0.000 1.055 156 S CB 0.857 64.037 63.200 -0.035 0.000 0.868 156 S HN 0.673 nan 8.310 nan 0.000 0.506 157 G N 1.004 109.776 108.800 -0.048 0.000 2.213 157 G HA2 -0.232 3.730 3.960 0.004 0.000 0.236 157 G HA3 -0.232 3.730 3.960 0.004 0.000 0.236 157 G C 0.028 174.887 174.900 -0.069 0.000 0.991 157 G CA -0.154 44.910 45.100 -0.060 0.000 0.629 157 G HN 1.210 nan 8.290 nan 0.000 0.517 158 V N 1.760 121.642 119.914 -0.053 0.000 2.508 158 V HA 0.317 4.439 4.120 0.004 0.000 0.281 158 V C 1.834 177.883 176.094 -0.076 0.000 1.041 158 V CA 0.339 62.609 62.300 -0.051 0.000 1.016 158 V CB 1.473 33.290 31.823 -0.011 0.000 0.984 158 V HN 0.156 nan 8.190 nan 0.000 0.478 159 V N 4.053 123.880 119.914 -0.145 0.000 2.302 159 V HA 0.007 4.129 4.120 0.004 0.000 0.243 159 V C 0.337 176.348 176.094 -0.139 0.000 1.036 159 V CA 1.104 63.264 62.300 -0.233 0.000 1.020 159 V CB -0.019 31.528 31.823 -0.460 0.000 0.657 159 V HN 0.810 nan 8.190 nan 0.000 0.453 160 W N 0.720 121.858 121.300 -0.270 0.000 2.336 160 W HA 0.492 5.154 4.660 0.003 0.000 0.315 160 W C -0.617 175.661 176.519 -0.400 0.000 1.016 160 W CA -1.740 55.277 57.345 -0.548 0.000 1.318 160 W CB 0.895 29.641 29.460 -1.190 0.000 1.247 160 W HN -0.005 nan 8.180 nan 0.000 0.414 161 L N 7.670 128.897 121.223 0.007 0.000 2.384 161 L HA 0.292 4.634 4.340 0.004 0.000 0.258 161 L C -0.370 176.642 176.870 0.237 0.000 1.266 161 L CA -0.059 54.844 54.840 0.104 0.000 1.162 161 L CB -1.469 40.624 42.059 0.057 0.000 1.375 161 L HN 0.302 nan 8.230 nan 0.000 0.420 162 F N -0.939 119.103 119.950 0.153 0.000 3.262 162 F HA 0.450 4.980 4.527 0.004 0.000 0.327 162 F C -0.500 175.417 175.800 0.194 0.000 1.206 162 F CA -1.477 56.612 58.000 0.148 0.000 0.930 162 F CB 0.668 39.754 39.000 0.143 0.000 1.513 162 F HN -0.061 nan 8.300 nan 0.000 0.519 163 D N 1.681 122.135 120.400 0.089 0.000 2.803 163 D HA -0.096 4.546 4.640 0.004 0.000 0.233 163 D C -2.501 173.906 176.300 0.178 0.000 1.182 163 D CA 0.505 54.520 54.000 0.023 0.000 0.726 163 D CB -1.092 39.624 40.800 -0.140 0.000 0.987 163 D HN 0.324 nan 8.370 nan 0.000 0.412 164 P HA 0.362 nan 4.420 nan 0.000 0.271 164 P C -0.869 176.535 177.300 0.174 0.000 1.218 164 P CA -0.321 62.883 63.100 0.173 0.000 0.780 164 P CB 1.369 33.157 31.700 0.147 0.000 0.901 165 A N 2.692 125.633 122.820 0.201 0.000 2.385 165 A HA 0.531 4.853 4.320 0.004 0.000 0.290 165 A C -0.953 176.788 177.584 0.262 0.000 1.094 165 A CA -0.612 51.554 52.037 0.216 0.000 0.729 165 A CB 1.112 20.235 19.000 0.204 0.000 1.194 165 A HN 0.285 nan 8.150 nan 0.000 0.442 166 V N 2.766 122.770 119.914 0.150 0.000 2.459 166 V HA 0.603 4.725 4.120 0.004 0.000 0.295 166 V C -0.909 175.385 176.094 0.333 0.000 1.029 166 V CA -0.376 61.984 62.300 0.100 0.000 0.874 166 V CB 1.356 32.939 31.823 -0.400 0.000 0.985 166 V HN 0.800 nan 8.190 nan 0.000 0.438 167 F N 5.375 125.492 119.950 0.279 0.000 2.518 167 F HA 0.718 5.246 4.527 0.003 0.000 0.323 167 F C -0.568 175.426 175.800 0.324 0.000 1.129 167 F CA -0.749 57.457 58.000 0.343 0.000 0.920 167 F CB 1.802 41.085 39.000 0.472 0.000 1.160 167 F HN 0.242 nan 8.300 nan 0.000 0.440 168 V N 5.880 125.572 119.914 -0.369 0.000 2.350 168 V HA 0.215 4.337 4.120 0.004 0.000 0.276 168 V C -0.038 175.639 176.094 -0.695 0.000 1.028 168 V CA -0.634 61.456 62.300 -0.350 0.000 0.860 168 V CB 0.919 32.661 31.823 -0.135 0.000 0.990 168 V HN 0.694 nan 8.190 nan 0.000 0.453 169 D N 2.850 123.008 120.400 -0.402 0.000 2.371 169 D HA 0.064 4.706 4.640 0.004 0.000 0.242 169 D C 1.113 177.418 176.300 0.009 0.000 1.218 169 D CA -0.297 53.630 54.000 -0.121 0.000 0.945 169 D CB 1.060 42.110 40.800 0.416 0.000 1.137 169 D HN 0.533 nan 8.370 nan 0.000 0.464 170 D N -0.202 120.278 120.400 0.132 0.000 2.218 170 D HA -0.165 4.478 4.640 0.004 0.000 0.204 170 D C 0.999 177.351 176.300 0.087 0.000 0.976 170 D CA 0.920 54.983 54.000 0.105 0.000 0.853 170 D CB -0.010 40.867 40.800 0.130 0.000 0.939 170 D HN 0.537 nan 8.370 nan 0.000 0.481 171 D N -0.738 119.730 120.400 0.113 0.000 2.349 171 D HA 0.044 4.686 4.640 0.004 0.000 0.224 171 D C 1.529 177.858 176.300 0.048 0.000 1.029 171 D CA 0.875 54.926 54.000 0.085 0.000 0.879 171 D CB -0.127 40.736 40.800 0.107 0.000 0.906 171 D HN 0.226 nan 8.370 nan 0.000 0.528 172 G N -0.706 108.112 108.800 0.030 0.000 2.175 172 G HA2 -0.250 3.712 3.960 0.004 0.000 0.244 172 G HA3 -0.250 3.712 3.960 0.004 0.000 0.244 172 G C 0.320 175.192 174.900 -0.045 0.000 0.982 172 G CA 0.290 45.384 45.100 -0.010 0.000 0.641 172 G HN 0.456 nan 8.290 nan 0.000 0.527 173 T N 1.463 116.001 114.554 -0.027 0.000 2.794 173 T HA 0.551 4.903 4.350 0.004 0.000 0.296 173 T C 0.863 175.427 174.700 -0.227 0.000 0.949 173 T CA 0.457 62.469 62.100 -0.146 0.000 1.101 173 T CB 1.621 70.405 68.868 -0.139 0.000 0.905 173 T HN 0.978 nan 8.240 nan 0.000 0.516 174 G N 1.942 110.545 108.800 -0.329 0.000 2.400 174 G HA2 0.580 4.542 3.960 0.004 0.000 0.301 174 G HA3 0.580 4.542 3.960 0.004 0.000 0.301 174 G C -1.488 173.116 174.900 -0.493 0.000 1.154 174 G CA -0.460 44.488 45.100 -0.252 0.000 0.852 174 G HN 0.649 nan 8.290 nan 0.000 0.511 175 Y N -0.215 120.132 120.300 0.079 0.000 2.442 175 Y HA 0.468 5.020 4.550 0.003 0.000 0.344 175 Y C -0.329 175.551 175.900 -0.034 0.000 0.976 175 Y CA -0.968 57.137 58.100 0.007 0.000 1.040 175 Y CB 2.608 41.125 38.460 0.096 0.000 1.228 175 Y HN 0.515 nan 8.280 nan 0.000 0.451 176 L N 3.963 125.140 121.223 -0.076 0.000 2.305 176 L HA 0.583 4.926 4.340 0.004 0.000 0.284 176 L C -1.877 174.877 176.870 -0.195 0.000 1.013 176 L CA -0.855 53.928 54.840 -0.096 0.000 0.819 176 L CB 0.263 42.232 42.059 -0.150 0.000 1.227 176 L HN 0.501 nan 8.230 nan 0.000 0.417 177 Y N 4.509 124.874 120.300 0.109 0.000 2.360 177 Y HA 0.840 5.393 4.550 0.004 0.000 0.337 177 Y C 0.448 176.433 175.900 0.142 0.000 1.039 177 Y CA -0.078 58.107 58.100 0.142 0.000 1.109 177 Y CB 1.825 40.436 38.460 0.253 0.000 1.201 177 Y HN 0.864 nan 8.280 nan 0.000 0.458 178 A N 1.396 124.369 122.820 0.255 0.000 2.564 178 A HA 0.893 5.215 4.320 0.004 0.000 0.291 178 A C -0.174 177.559 177.584 0.248 0.000 1.102 178 A CA -0.195 51.989 52.037 0.245 0.000 0.660 178 A CB 1.124 20.227 19.000 0.172 0.000 1.283 178 A HN 1.523 nan 8.150 nan 0.000 0.430 179 G N -1.533 107.458 108.800 0.320 0.000 2.396 179 G HA2 0.647 4.609 3.960 0.004 0.000 0.254 179 G HA3 0.647 4.609 3.960 0.004 0.000 0.254 179 G C 0.793 175.932 174.900 0.398 0.000 1.248 179 G CA 0.867 46.139 45.100 0.286 0.000 1.033 179 G HN 3.125 nan 8.290 nan 0.000 0.502 180 G N -2.307 106.638 108.800 0.242 0.000 2.316 180 G HA2 0.588 4.550 3.960 0.004 0.000 0.349 180 G HA3 0.588 4.550 3.960 0.004 0.000 0.349 180 G C 0.996 175.876 174.900 -0.034 0.000 1.274 180 G CA 1.282 46.528 45.100 0.242 0.000 1.018 180 G HN 3.220 nan 8.290 nan 0.000 0.486 181 G N -2.666 105.998 108.800 -0.227 0.000 2.758 181 G HA2 0.374 4.336 3.960 0.004 0.000 0.686 181 G HA3 0.374 4.336 3.960 0.004 0.000 0.686 181 G C -0.532 174.101 174.900 -0.445 0.000 1.389 181 G CA 0.323 44.840 45.100 -0.971 0.000 0.845 181 G HN 1.926 nan 8.290 nan 0.000 0.572 182 V N 3.015 122.627 119.914 -0.503 0.000 2.487 182 V HA 0.645 4.767 4.120 0.004 0.000 0.298 182 V C -1.518 174.328 176.094 -0.414 0.000 1.028 182 V CA -0.987 61.096 62.300 -0.361 0.000 0.860 182 V CB 1.977 33.550 31.823 -0.416 0.000 0.991 182 V HN 0.866 nan 8.190 nan 0.000 0.427 183 P HA 0.356 nan 4.420 nan 0.000 0.274 183 P C 0.713 177.835 177.300 -0.298 0.000 1.237 183 P CA 0.631 63.566 63.100 -0.275 0.000 0.793 183 P CB 1.154 32.728 31.700 -0.211 0.000 0.977 184 G N -0.639 108.030 108.800 -0.218 0.000 2.168 184 G HA2 -0.173 3.789 3.960 0.004 0.000 0.197 184 G HA3 -0.173 3.789 3.960 0.004 0.000 0.197 184 G C 0.358 175.168 174.900 -0.151 0.000 0.997 184 G CA -0.064 44.922 45.100 -0.190 0.000 0.658 184 G HN 0.494 nan 8.290 nan 0.000 0.513 185 V N -0.108 119.721 119.914 -0.141 0.000 0.689 185 V HA -0.431 3.691 4.120 0.004 0.000 0.092 185 V C 2.688 178.761 176.094 -0.035 0.000 0.800 185 V CA 3.734 65.993 62.300 -0.069 0.000 3.103 185 V CB -1.955 29.851 31.823 -0.029 0.000 0.202 185 V HN 2.014 nan 8.190 nan 0.000 0.115 186 S N 2.303 118.009 115.700 0.009 0.000 2.515 186 S HA 0.004 4.476 4.470 0.004 0.000 0.231 186 S C 0.591 175.230 174.600 0.066 0.000 0.987 186 S CA 1.108 59.341 58.200 0.054 0.000 0.936 186 S CB -0.530 62.704 63.200 0.058 0.000 0.766 186 S HN 1.588 nan 8.310 nan 0.000 0.528 187 N N 0.061 118.771 118.700 0.017 0.000 2.697 187 N HA 0.393 5.135 4.740 0.004 0.000 0.253 187 N C -3.639 171.845 175.510 -0.042 0.000 1.604 187 N CA -1.583 51.492 53.050 0.043 0.000 0.772 187 N CB 0.022 38.539 38.487 0.050 0.000 1.267 187 N HN 0.059 nan 8.380 nan 0.000 0.510 188 P HA 0.109 nan 4.420 nan 0.000 0.269 188 P C 0.664 177.864 177.300 -0.168 0.000 1.209 188 P CA 0.189 63.053 63.100 -0.393 0.000 0.776 188 P CB 0.539 31.578 31.700 -1.102 0.000 0.876 189 T N -0.905 113.575 114.554 -0.123 0.000 2.766 189 T HA 0.022 4.374 4.350 0.004 0.000 0.295 189 T C 1.265 176.028 174.700 0.105 0.000 1.024 189 T CA -0.207 61.898 62.100 0.008 0.000 1.018 189 T CB 0.446 69.301 68.868 -0.022 0.000 1.002 189 T HN 0.278 nan 8.240 nan 0.000 0.532 190 Q N 1.235 121.140 119.800 0.175 0.000 2.112 190 Q HA -0.013 4.329 4.340 0.004 0.000 0.206 190 Q C 2.358 178.418 176.000 0.099 0.000 0.987 190 Q CA 2.527 58.465 55.803 0.225 0.000 0.858 190 Q CB -1.247 27.571 28.738 0.133 0.000 0.905 190 Q HN 0.971 nan 8.270 nan 0.000 0.420 191 G N -0.388 108.411 108.800 -0.001 0.000 2.422 191 G HA2 -0.264 3.698 3.960 0.004 0.000 0.218 191 G HA3 -0.264 3.698 3.960 0.004 0.000 0.218 191 G C 1.270 176.087 174.900 -0.139 0.000 1.140 191 G CA 0.706 45.757 45.100 -0.083 0.000 0.775 191 G HN 0.461 nan 8.290 nan 0.000 0.545 192 Q N -0.779 118.935 119.800 -0.144 0.000 2.079 192 Q HA -0.105 4.237 4.340 0.004 0.000 0.200 192 Q C 2.330 178.180 176.000 -0.249 0.000 0.974 192 Q CA 1.094 56.758 55.803 -0.231 0.000 0.840 192 Q CB -0.189 28.367 28.738 -0.303 0.000 0.898 192 Q HN 0.747 nan 8.270 nan 0.000 0.430 193 W N 0.537 121.756 121.300 -0.136 0.000 2.358 193 W HA -0.187 4.475 4.660 0.004 0.000 0.303 193 W C 2.513 178.727 176.519 -0.509 0.000 1.208 193 W CA 0.891 58.156 57.345 -0.133 0.000 1.274 193 W CB -0.196 29.280 29.460 0.026 0.000 1.138 193 W HN 0.156 nan 8.180 nan 0.000 0.515 194 A N -0.374 122.103 122.820 -0.571 0.000 1.930 194 A HA -0.083 4.240 4.320 0.004 0.000 0.217 194 A C 0.923 178.034 177.584 -0.787 0.000 1.175 194 A CA 1.187 52.388 52.037 -1.394 0.000 0.627 194 A CB -0.411 18.079 19.000 -0.850 0.000 0.815 194 A HN 0.251 nan 8.150 nan 0.000 0.443 195 N N -0.868 117.590 118.700 -0.403 0.000 2.750 195 N HA 0.222 4.964 4.740 0.004 0.000 0.253 195 N C -2.585 172.815 175.510 -0.185 0.000 1.408 195 N CA -0.894 52.004 53.050 -0.254 0.000 0.780 195 N CB 1.415 39.783 38.487 -0.199 0.000 1.191 195 N HN 0.045 nan 8.380 nan 0.000 0.511 196 P HA -0.086 nan 4.420 nan 0.000 0.218 196 P C -0.154 177.074 177.300 -0.120 0.000 1.149 196 P CA 1.008 64.028 63.100 -0.133 0.000 0.817 196 P CB 0.309 31.967 31.700 -0.070 0.000 0.785 197 K N -1.394 118.942 120.400 -0.106 0.000 3.071 197 K HA -0.148 4.174 4.320 0.004 0.000 0.265 197 K C 0.389 176.940 176.600 -0.081 0.000 1.060 197 K CA 1.009 57.240 56.287 -0.094 0.000 0.767 197 K CB -2.404 30.040 32.500 -0.093 0.000 1.241 197 K HN 0.395 nan 8.250 nan 0.000 0.486 198 T N -3.436 111.078 114.554 -0.067 0.000 3.010 198 T HA 0.407 4.759 4.350 0.004 0.000 0.257 198 T C 0.642 175.342 174.700 -0.001 0.000 1.020 198 T CA 0.105 62.177 62.100 -0.047 0.000 0.938 198 T CB 0.554 69.382 68.868 -0.066 0.000 1.049 198 T HN 0.357 nan 8.240 nan 0.000 0.522 199 A N 2.088 124.899 122.820 -0.015 0.000 2.354 199 A HA 0.759 5.081 4.320 0.004 0.000 0.269 199 A C 0.085 177.636 177.584 -0.054 0.000 1.109 199 A CA -0.697 51.340 52.037 -0.000 0.000 0.800 199 A CB 0.509 19.471 19.000 -0.063 0.000 1.045 199 A HN 0.318 nan 8.150 nan 0.000 0.489 200 R N 0.351 120.839 120.500 -0.021 0.000 2.771 200 R HA 0.656 4.998 4.340 0.004 0.000 0.274 200 R C -1.725 174.525 176.300 -0.083 0.000 0.987 200 R CA -0.703 55.365 56.100 -0.053 0.000 0.908 200 R CB 1.717 32.002 30.300 -0.025 0.000 1.213 200 R HN 0.653 nan 8.270 nan 0.000 0.468 201 V N 3.216 123.040 119.914 -0.151 0.000 2.709 201 V HA 0.654 4.776 4.120 0.004 0.000 0.308 201 V C -0.956 175.028 176.094 -0.183 0.000 1.062 201 V CA -0.794 61.320 62.300 -0.311 0.000 0.901 201 V CB 2.053 33.588 31.823 -0.481 0.000 1.003 201 V HN 0.731 nan 8.190 nan 0.000 0.425 202 I N 5.245 125.710 120.570 -0.175 0.000 2.582 202 I HA 0.523 4.695 4.170 0.004 0.000 0.292 202 I C -0.260 175.814 176.117 -0.072 0.000 1.066 202 I CA -0.809 60.436 61.300 -0.091 0.000 1.053 202 I CB 1.766 39.718 38.000 -0.081 0.000 1.241 202 I HN 0.748 nan 8.210 nan 0.000 0.421 203 K N 6.913 127.284 120.400 -0.049 0.000 2.326 203 K HA 0.385 4.707 4.320 0.004 0.000 0.275 203 K C -1.182 175.291 176.600 -0.211 0.000 1.018 203 K CA -0.300 55.880 56.287 -0.178 0.000 0.962 203 K CB 0.695 33.105 32.500 -0.150 0.000 0.953 203 K HN 0.573 nan 8.250 nan 0.000 0.475 204 L N 2.578 123.622 121.223 -0.298 0.000 2.379 204 L HA 0.349 4.692 4.340 0.004 0.000 0.269 204 L C 1.034 177.780 176.870 -0.207 0.000 1.084 204 L CA -0.834 53.876 54.840 -0.217 0.000 0.802 204 L CB 1.391 43.320 42.059 -0.217 0.000 1.175 204 L HN 0.807 nan 8.230 nan 0.000 0.448 205 G N 1.003 109.714 108.800 -0.148 0.000 2.636 205 G HA2 0.195 4.157 3.960 0.004 0.000 0.246 205 G HA3 0.195 4.157 3.960 0.004 0.000 0.246 205 G C -1.884 172.932 174.900 -0.139 0.000 1.216 205 G CA -0.860 44.165 45.100 -0.124 0.000 0.854 205 G HN 0.485 nan 8.290 nan 0.000 0.572 206 P HA -0.120 nan 4.420 nan 0.000 0.217 206 P C 1.209 178.443 177.300 -0.111 0.000 1.148 206 P CA 1.633 64.672 63.100 -0.101 0.000 0.828 206 P CB 0.138 31.800 31.700 -0.062 0.000 0.783 207 D N -2.385 117.957 120.400 -0.095 0.000 2.349 207 D HA -0.067 4.576 4.640 0.004 0.000 0.224 207 D C 0.949 177.111 176.300 -0.231 0.000 1.029 207 D CA 0.328 54.282 54.000 -0.076 0.000 0.879 207 D CB -0.650 40.147 40.800 -0.006 0.000 0.906 207 D HN -0.045 nan 8.370 nan 0.000 0.528 208 M N -0.622 118.782 119.600 -0.327 0.000 2.907 208 M HA -0.171 4.311 4.480 0.004 0.000 0.186 208 M C 0.427 176.572 176.300 -0.259 0.000 0.631 208 M CA 1.593 56.590 55.300 -0.505 0.000 0.700 208 M CB -3.075 28.698 32.600 -1.378 0.000 2.523 208 M HN 0.463 nan 8.290 nan 0.000 0.323 209 T N -1.856 112.636 114.554 -0.103 0.000 3.380 209 T HA 0.554 4.906 4.350 0.004 0.000 0.289 209 T C 0.273 174.973 174.700 -0.001 0.000 1.012 209 T CA 0.489 62.600 62.100 0.018 0.000 0.944 209 T CB 0.315 69.238 68.868 0.091 0.000 1.172 209 T HN 0.574 nan 8.240 nan 0.000 0.502 210 S N -0.043 115.639 115.700 -0.030 0.000 2.611 210 S HA 0.763 5.235 4.470 0.004 0.000 0.268 210 S C -0.762 173.802 174.600 -0.060 0.000 1.156 210 S CA -0.464 57.712 58.200 -0.040 0.000 0.817 210 S CB 1.314 64.489 63.200 -0.043 0.000 1.122 210 S HN 0.997 nan 8.310 nan 0.000 0.466 211 V N -0.924 118.953 119.914 -0.062 0.000 2.994 211 V HA 1.017 5.139 4.120 0.004 0.000 0.318 211 V C -0.158 175.893 176.094 -0.073 0.000 1.085 211 V CA -0.540 61.715 62.300 -0.075 0.000 0.998 211 V CB 1.134 32.917 31.823 -0.067 0.000 1.063 211 V HN 1.819 nan 8.190 nan 0.000 0.447 212 V N 0.058 119.924 119.914 -0.080 0.000 2.789 212 V HA 1.042 5.164 4.120 0.004 0.000 0.311 212 V C 0.529 176.590 176.094 -0.056 0.000 1.073 212 V CA 0.255 62.515 62.300 -0.067 0.000 0.921 212 V CB 0.580 32.358 31.823 -0.074 0.000 1.009 212 V HN 2.633 nan 8.190 nan 0.000 0.426 213 G N 3.699 112.473 108.800 -0.044 0.000 2.569 213 G HA2 0.011 3.974 3.960 0.004 0.000 0.259 213 G HA3 0.011 3.974 3.960 0.004 0.000 0.259 213 G C 0.066 174.943 174.900 -0.038 0.000 1.263 213 G CA 0.328 45.407 45.100 -0.036 0.000 0.928 213 G HN 2.490 nan 8.290 nan 0.000 0.572 214 S N -0.576 115.104 115.700 -0.034 0.000 2.648 214 S HA 0.876 5.348 4.470 0.004 0.000 0.305 214 S C 0.291 174.868 174.600 -0.038 0.000 1.094 214 S CA 0.475 58.653 58.200 -0.036 0.000 0.983 214 S CB 1.867 65.047 63.200 -0.033 0.000 1.101 214 S HN 2.404 nan 8.310 nan 0.000 0.514 215 A N 1.583 124.378 122.820 -0.043 0.000 2.425 215 A HA 0.591 4.913 4.320 0.004 0.000 0.249 215 A C 0.368 177.925 177.584 -0.045 0.000 1.084 215 A CA -0.424 51.583 52.037 -0.049 0.000 0.781 215 A CB -0.210 18.761 19.000 -0.050 0.000 1.019 215 A HN 0.790 nan 8.150 nan 0.000 0.490 216 S N 0.533 116.204 115.700 -0.049 0.000 2.565 216 S HA 0.477 4.949 4.470 0.004 0.000 0.290 216 S C 0.245 174.813 174.600 -0.054 0.000 1.150 216 S CA -0.413 57.762 58.200 -0.043 0.000 1.058 216 S CB 1.288 64.470 63.200 -0.030 0.000 1.032 216 S HN 0.750 nan 8.310 nan 0.000 0.510 217 T N 2.918 117.442 114.554 -0.050 0.000 2.851 217 T HA 0.344 4.697 4.350 0.004 0.000 0.298 217 T C 0.092 174.749 174.700 -0.072 0.000 0.977 217 T CA -0.015 62.046 62.100 -0.065 0.000 1.126 217 T CB -0.060 68.773 68.868 -0.059 0.000 0.916 217 T HN 0.378 nan 8.240 nan 0.000 0.529 218 I N 3.066 123.556 120.570 -0.132 0.000 2.312 218 I HA 0.170 4.342 4.170 0.004 0.000 0.290 218 I C 0.314 176.333 176.117 -0.164 0.000 1.008 218 I CA -0.580 60.611 61.300 -0.181 0.000 1.226 218 I CB 1.148 38.847 38.000 -0.501 0.000 1.371 218 I HN 0.502 nan 8.210 nan 0.000 0.468 219 D N 6.833 127.181 120.400 -0.088 0.000 2.608 219 D HA 0.219 4.861 4.640 0.004 0.000 0.224 219 D C 0.234 176.482 176.300 -0.087 0.000 1.123 219 D CA -0.161 53.789 54.000 -0.084 0.000 1.030 219 D CB 0.320 41.088 40.800 -0.052 0.000 1.093 219 D HN 0.540 nan 8.370 nan 0.000 0.497 220 A N 3.666 126.381 122.820 -0.175 0.000 2.444 220 A HA 0.389 4.711 4.320 0.004 0.000 0.273 220 A C -2.185 175.311 177.584 -0.145 0.000 1.136 220 A CA -1.138 50.740 52.037 -0.265 0.000 0.799 220 A CB 0.095 18.620 19.000 -0.792 0.000 1.081 220 A HN 0.337 nan 8.150 nan 0.000 0.509 221 P HA 0.197 nan 4.420 nan 0.000 0.267 221 P C -0.166 177.268 177.300 0.223 0.000 1.205 221 P CA 0.249 63.341 63.100 -0.013 0.000 0.765 221 P CB -0.195 31.453 31.700 -0.087 0.000 0.828 222 F N -1.532 118.425 119.950 0.013 0.000 3.091 222 F HA -0.232 4.298 4.527 0.004 0.000 0.288 222 F C 0.928 176.903 175.800 0.291 0.000 0.907 222 F CA 0.100 58.159 58.000 0.099 0.000 1.028 222 F CB -1.957 37.024 39.000 -0.032 0.000 1.022 222 F HN 0.257 nan 8.300 nan 0.000 0.665 223 M N 0.124 119.901 119.600 0.295 0.000 2.235 223 M HA 0.149 4.631 4.480 0.004 0.000 0.336 223 M C 0.442 177.062 176.300 0.534 0.000 1.146 223 M CA 0.785 56.269 55.300 0.307 0.000 1.018 223 M CB 0.194 32.831 32.600 0.061 0.000 1.694 223 M HN 0.237 nan 8.290 nan 0.000 0.451 224 F N 1.994 122.193 119.950 0.415 0.000 2.212 224 F HA 0.369 4.898 4.527 0.003 0.000 0.262 224 F C 0.101 176.226 175.800 0.541 0.000 0.906 224 F CA 1.113 59.379 58.000 0.443 0.000 1.127 224 F CB 0.179 39.474 39.000 0.491 0.000 1.178 224 F HN 0.751 nan 8.300 nan 0.000 0.779 225 E N -1.172 119.326 120.200 0.495 0.000 2.238 225 E HA 0.226 4.578 4.350 0.004 0.000 0.252 225 E C -1.205 175.577 176.600 0.304 0.000 1.317 225 E CA -0.132 56.514 56.400 0.411 0.000 0.921 225 E CB 0.744 30.642 29.700 0.329 0.000 1.626 225 E HN -0.114 nan 8.360 nan 0.000 0.488 226 D N -0.018 120.455 120.400 0.122 0.000 2.716 226 D HA -0.133 4.509 4.640 0.004 0.000 0.239 226 D C -1.104 175.183 176.300 -0.021 0.000 1.125 226 D CA 1.123 55.050 54.000 -0.121 0.000 0.681 226 D CB -1.326 39.392 40.800 -0.137 0.000 1.070 226 D HN 0.547 nan 8.370 nan 0.000 0.432 227 S N 0.037 115.791 115.700 0.090 0.000 2.558 227 S HA 0.500 4.972 4.470 0.004 0.000 0.291 227 S C 0.728 175.273 174.600 -0.091 0.000 1.306 227 S CA 0.476 58.718 58.200 0.070 0.000 1.056 227 S CB 1.346 64.752 63.200 0.344 0.000 0.836 227 S HN 0.653 nan 8.310 nan 0.000 0.504 228 G N 1.384 110.040 108.800 -0.239 0.000 2.696 228 G HA2 0.597 4.560 3.960 0.004 0.000 0.295 228 G HA3 0.597 4.560 3.960 0.004 0.000 0.295 228 G C -1.932 172.850 174.900 -0.195 0.000 1.398 228 G CA -0.428 44.572 45.100 -0.166 0.000 0.920 228 G HN 0.553 nan 8.290 nan 0.000 0.492 229 L N 2.677 123.846 121.223 -0.090 0.000 2.470 229 L HA 0.594 4.936 4.340 0.004 0.000 0.268 229 L C -1.111 175.809 176.870 0.083 0.000 0.964 229 L CA -0.680 54.053 54.840 -0.177 0.000 0.839 229 L CB 1.571 43.283 42.059 -0.579 0.000 1.276 229 L HN 0.928 nan 8.230 nan 0.000 0.403 230 H N 2.834 121.924 119.070 0.033 0.000 2.894 230 H HA 0.531 5.089 4.556 0.004 0.000 0.368 230 H C -1.772 173.626 175.328 0.118 0.000 1.181 230 H CA -0.955 55.186 56.048 0.154 0.000 1.146 230 H CB 2.797 32.713 29.762 0.257 0.000 1.839 230 H HN 0.547 nan 8.280 nan 0.000 0.557 231 K N 1.840 122.382 120.400 0.236 0.000 2.413 231 K HA 0.287 4.609 4.320 0.004 0.000 0.257 231 K C -2.118 174.595 176.600 0.189 0.000 0.946 231 K CA -0.786 55.551 56.287 0.083 0.000 0.823 231 K CB 1.473 34.067 32.500 0.157 0.000 1.109 231 K HN 0.598 nan 8.250 nan 0.000 0.427 232 Y N 4.645 124.860 120.300 -0.141 0.000 2.338 232 Y HA 0.204 4.755 4.550 0.002 0.000 0.333 232 Y C -0.180 175.652 175.900 -0.113 0.000 0.968 232 Y CA -0.579 57.358 58.100 -0.272 0.000 1.123 232 Y CB 1.154 38.978 38.460 -1.060 0.000 1.165 232 Y HN 0.926 nan 8.280 nan 0.000 0.452 233 N N 4.316 122.605 118.700 -0.686 0.000 2.714 233 N HA -0.205 4.538 4.740 0.004 0.000 0.252 233 N C 0.739 176.113 175.510 -0.226 0.000 1.014 233 N CA 2.000 54.734 53.050 -0.527 0.000 0.735 233 N CB -1.132 36.900 38.487 -0.759 0.000 0.924 233 N HN 1.594 nan 8.380 nan 0.000 0.540 234 G N -2.597 106.098 108.800 -0.175 0.000 2.179 234 G HA2 -0.269 3.693 3.960 0.004 0.000 0.260 234 G HA3 -0.269 3.693 3.960 0.004 0.000 0.260 234 G C 0.245 175.014 174.900 -0.217 0.000 0.977 234 G CA 0.615 45.622 45.100 -0.156 0.000 0.641 234 G HN 0.721 nan 8.290 nan 0.000 0.533 235 T N 0.573 115.027 114.554 -0.166 0.000 2.824 235 T HA 0.585 4.937 4.350 0.004 0.000 0.280 235 T C -0.576 174.020 174.700 -0.174 0.000 0.995 235 T CA -0.293 61.731 62.100 -0.126 0.000 1.009 235 T CB 1.145 69.999 68.868 -0.025 0.000 0.955 235 T HN 0.206 nan 8.240 nan 0.000 0.452 236 Y N 1.700 122.005 120.300 0.007 0.000 2.327 236 Y HA 0.377 4.929 4.550 0.005 0.000 0.336 236 Y C -0.218 175.733 175.900 0.086 0.000 1.035 236 Y CA -0.708 57.423 58.100 0.052 0.000 1.165 236 Y CB 0.539 39.021 38.460 0.037 0.000 1.181 236 Y HN 0.596 nan 8.280 nan 0.000 0.494 237 Y N 3.282 123.588 120.300 0.010 0.000 2.402 237 Y HA 0.206 4.759 4.550 0.005 0.000 0.332 237 Y C -0.719 175.223 175.900 0.070 0.000 0.960 237 Y CA -1.100 57.015 58.100 0.026 0.000 1.228 237 Y CB 0.649 38.856 38.460 -0.422 0.000 1.120 237 Y HN 0.558 nan 8.280 nan 0.000 0.491 238 Y N 4.428 124.780 120.300 0.087 0.000 2.383 238 Y HA 0.452 5.005 4.550 0.004 0.000 0.344 238 Y C -0.031 175.977 175.900 0.180 0.000 0.986 238 Y CA -0.813 57.187 58.100 -0.167 0.000 1.175 238 Y CB 0.569 38.536 38.460 -0.821 0.000 1.152 238 Y HN 0.565 nan 8.280 nan 0.000 0.511 239 S N 6.070 121.566 115.700 -0.339 0.000 2.648 239 S HA 0.861 5.333 4.470 0.004 0.000 0.305 239 S C -1.354 173.113 174.600 -0.222 0.000 1.094 239 S CA -0.550 57.610 58.200 -0.066 0.000 0.983 239 S CB 2.064 65.452 63.200 0.312 0.000 1.101 239 S HN 0.845 nan 8.310 nan 0.000 0.514 240 Y N -2.519 117.672 120.300 -0.181 0.000 2.702 240 Y HA 0.647 5.199 4.550 0.004 0.000 0.336 240 Y C -1.013 174.889 175.900 0.004 0.000 1.203 240 Y CA -1.612 56.452 58.100 -0.060 0.000 1.072 240 Y CB 0.317 38.774 38.460 -0.005 0.000 1.327 240 Y HN 0.884 nan 8.280 nan 0.000 0.456 241 C N 3.666 123.073 119.300 0.178 0.000 2.415 241 C HA 0.647 5.110 4.460 0.004 0.000 0.369 241 C C 0.367 175.517 174.990 0.268 0.000 1.279 241 C CA -0.543 58.540 59.018 0.108 0.000 1.886 241 C CB -1.524 26.377 27.740 0.268 0.000 2.468 241 C HN 0.673 nan 8.230 nan 0.000 0.553 242 I N 6.654 127.225 120.570 0.003 0.000 2.634 242 I HA 0.142 4.315 4.170 0.004 0.000 0.284 242 I C 0.739 176.855 176.117 -0.001 0.000 1.124 242 I CA 0.137 61.512 61.300 0.125 0.000 1.417 242 I CB 0.637 38.602 38.000 -0.058 0.000 1.396 242 I HN 0.819 nan 8.210 nan 0.000 0.571 243 N N 4.629 123.451 118.700 0.204 0.000 2.294 243 N HA 0.078 4.820 4.740 0.004 0.000 0.248 243 N C -0.107 175.160 175.510 -0.406 0.000 1.300 243 N CA 0.223 53.215 53.050 -0.096 0.000 0.925 243 N CB 0.282 38.947 38.487 0.296 0.000 1.188 243 N HN 0.446 nan 8.380 nan 0.000 0.512 244 F N -2.634 117.092 119.950 -0.373 0.000 2.704 244 F HA 0.451 4.980 4.527 0.003 0.000 0.304 244 F C 1.468 176.932 175.800 -0.560 0.000 1.094 244 F CA -0.198 57.542 58.000 -0.434 0.000 1.275 244 F CB 0.318 39.112 39.000 -0.342 0.000 1.073 244 F HN 0.610 nan 8.300 nan 0.000 0.586 245 G N -0.463 107.897 108.800 -0.733 0.000 2.491 245 G HA2 0.523 4.485 3.960 0.004 0.000 0.327 245 G HA3 0.523 4.485 3.960 0.004 0.000 0.327 245 G C 0.122 174.174 174.900 -1.413 0.000 1.189 245 G CA -0.139 43.937 45.100 -1.707 0.000 0.956 245 G HN 0.456 nan 8.290 nan 0.000 0.491 246 G N -0.904 107.118 108.800 -1.297 0.000 2.855 246 G HA2 0.232 4.195 3.960 0.004 0.000 0.352 246 G HA3 0.232 4.195 3.960 0.004 0.000 0.352 246 G C 0.287 175.137 174.900 -0.083 0.000 1.415 246 G CA 0.181 44.994 45.100 -0.478 0.000 0.871 246 G HN 1.919 nan 8.290 nan 0.000 0.543 247 T N -1.486 113.087 114.554 0.030 0.000 2.907 247 T HA 0.602 4.954 4.350 0.004 0.000 0.298 247 T C 0.140 174.858 174.700 0.029 0.000 1.017 247 T CA 0.023 62.149 62.100 0.043 0.000 1.118 247 T CB 1.150 70.033 68.868 0.025 0.000 0.948 247 T HN 0.727 nan 8.240 nan 0.000 0.531 248 H N 2.231 121.131 119.070 -0.284 0.000 2.572 248 H HA 0.437 4.995 4.556 0.004 0.000 0.359 248 H C -2.014 173.110 175.328 -0.340 0.000 1.134 248 H CA -1.745 53.968 56.048 -0.559 0.000 1.187 248 H CB 2.070 31.410 29.762 -0.702 0.000 1.597 248 H HN 0.622 nan 8.280 nan 0.000 0.524 249 P HA 0.109 nan 4.420 nan 0.000 0.274 249 P C 0.462 177.689 177.300 -0.122 0.000 1.246 249 P CA -0.348 62.683 63.100 -0.115 0.000 0.795 249 P CB 0.882 32.541 31.700 -0.068 0.000 1.006 250 A N 1.365 124.144 122.820 -0.069 0.000 1.978 250 A HA -0.186 4.136 4.320 0.004 0.000 0.220 250 A C 1.597 179.157 177.584 -0.041 0.000 1.170 250 A CA 1.921 53.922 52.037 -0.061 0.000 0.636 250 A CB -1.117 17.871 19.000 -0.020 0.000 0.810 250 A HN 0.729 nan 8.150 nan 0.000 0.448 251 D N -0.861 119.547 120.400 0.013 0.000 2.349 251 D HA -0.016 4.627 4.640 0.004 0.000 0.224 251 D C 0.299 176.674 176.300 0.126 0.000 1.029 251 D CA 0.538 54.626 54.000 0.147 0.000 0.879 251 D CB -0.089 40.832 40.800 0.203 0.000 0.906 251 D HN 0.396 nan 8.370 nan 0.000 0.528 252 K N 1.500 121.830 120.400 -0.116 0.000 3.084 252 K HA 0.275 4.598 4.320 0.004 0.000 0.172 252 K C -2.691 173.741 176.600 -0.280 0.000 1.078 252 K CA -1.515 54.653 56.287 -0.200 0.000 0.875 252 K CB 1.924 34.231 32.500 -0.321 0.000 1.064 252 K HN 0.072 nan 8.250 nan 0.000 0.597 253 P HA 0.080 nan 4.420 nan 0.000 0.271 253 P C -2.561 174.442 177.300 -0.495 0.000 1.216 253 P CA -1.345 61.489 63.100 -0.444 0.000 0.776 253 P CB 0.074 31.471 31.700 -0.506 0.000 0.881 254 P HA 0.011 nan 4.420 nan 0.000 0.268 254 P C 0.924 177.767 177.300 -0.761 0.000 1.204 254 P CA 0.895 63.465 63.100 -0.882 0.000 0.768 254 P CB 0.070 31.177 31.700 -0.989 0.000 0.842 255 G N 1.662 109.826 108.800 -1.061 0.000 2.155 255 G HA2 -0.222 3.741 3.960 0.004 0.000 0.257 255 G HA3 -0.222 3.741 3.960 0.004 0.000 0.257 255 G C -0.045 174.616 174.900 -0.398 0.000 0.983 255 G CA -0.003 44.449 45.100 -1.081 0.000 0.676 255 G HN 0.618 nan 8.290 nan 0.000 0.528 256 E N -0.498 119.480 120.200 -0.371 0.000 2.232 256 E HA 0.570 4.922 4.350 0.004 0.000 0.264 256 E C 0.064 176.464 176.600 -0.333 0.000 0.973 256 E CA -1.220 55.009 56.400 -0.286 0.000 0.849 256 E CB 1.218 30.739 29.700 -0.298 0.000 1.198 256 E HN 0.051 nan 8.360 nan 0.000 0.407 257 I N 2.175 122.489 120.570 -0.426 0.000 2.322 257 I HA 0.180 4.352 4.170 0.004 0.000 0.292 257 I C 0.758 176.440 176.117 -0.725 0.000 1.060 257 I CA 0.200 61.085 61.300 -0.692 0.000 1.309 257 I CB -0.120 37.235 38.000 -1.075 0.000 1.415 257 I HN 0.485 nan 8.210 nan 0.000 0.492 258 G N 6.594 114.966 108.800 -0.713 0.000 2.477 258 G HA2 0.544 4.506 3.960 0.004 0.000 0.304 258 G HA3 0.544 4.506 3.960 0.004 0.000 0.304 258 G C -1.185 173.497 174.900 -0.364 0.000 1.175 258 G CA -0.282 44.523 45.100 -0.491 0.000 0.907 258 G HN 0.624 nan 8.290 nan 0.000 0.509 259 Y N -1.962 118.189 120.300 -0.249 0.000 2.571 259 Y HA 0.777 5.330 4.550 0.005 0.000 0.341 259 Y C -0.826 175.095 175.900 0.034 0.000 1.076 259 Y CA -1.646 56.466 58.100 0.020 0.000 1.029 259 Y CB 1.550 40.146 38.460 0.228 0.000 1.308 259 Y HN 0.504 nan 8.280 nan 0.000 0.461 260 M N 2.654 122.402 119.600 0.247 0.000 2.572 260 M HA 0.633 5.116 4.480 0.004 0.000 0.299 260 M C -1.097 175.380 176.300 0.295 0.000 1.205 260 M CA -0.848 54.575 55.300 0.204 0.000 0.876 260 M CB 2.995 35.828 32.600 0.389 0.000 1.728 260 M HN 0.865 nan 8.290 nan 0.000 0.458 261 T N -1.805 112.854 114.554 0.176 0.000 2.908 261 T HA 0.823 5.175 4.350 0.004 0.000 0.290 261 T C -0.656 174.057 174.700 0.021 0.000 1.034 261 T CA -0.820 61.294 62.100 0.024 0.000 1.010 261 T CB 2.028 70.719 68.868 -0.294 0.000 1.068 261 T HN 0.684 nan 8.240 nan 0.000 0.481 262 S N -0.401 115.210 115.700 -0.148 0.000 2.570 262 S HA 0.506 4.978 4.470 0.004 0.000 0.270 262 S C 0.866 175.404 174.600 -0.104 0.000 1.149 262 S CA -0.103 57.880 58.200 -0.361 0.000 0.837 262 S CB 1.540 64.062 63.200 -1.130 0.000 1.124 262 S HN 1.145 nan 8.310 nan 0.000 0.465 263 S N 1.409 117.057 115.700 -0.087 0.000 2.603 263 S HA 0.305 4.777 4.470 0.004 0.000 0.220 263 S C 0.378 175.054 174.600 0.126 0.000 0.967 263 S CA -0.048 58.184 58.200 0.054 0.000 0.920 263 S CB -0.182 63.019 63.200 0.002 0.000 0.773 263 S HN 0.476 nan 8.310 nan 0.000 0.529 264 S N 2.166 117.786 115.700 -0.134 0.000 2.548 264 S HA 0.519 4.991 4.470 0.004 0.000 0.286 264 S C -2.322 171.790 174.600 -0.814 0.000 1.098 264 S CA -1.294 56.672 58.200 -0.391 0.000 0.930 264 S CB 2.241 65.280 63.200 -0.267 0.000 1.070 264 S HN 0.029 nan 8.310 nan 0.000 0.480 265 P HA -0.031 nan 4.420 nan 0.000 0.220 265 P C 0.586 177.684 177.300 -0.337 0.000 1.148 265 P CA 1.299 63.799 63.100 -1.000 0.000 0.803 265 P CB 0.014 30.883 31.700 -1.385 0.000 0.782 266 M N -1.352 118.045 119.600 -0.337 0.000 2.383 266 M HA 0.320 4.802 4.480 0.004 0.000 0.247 266 M C 0.741 177.006 176.300 -0.058 0.000 1.117 266 M CA 0.187 55.437 55.300 -0.082 0.000 0.995 266 M CB 0.346 32.902 32.600 -0.073 0.000 1.480 266 M HN -0.036 nan 8.290 nan 0.000 0.485 267 G N 1.779 110.340 108.800 -0.398 0.000 2.566 267 G HA2 -0.095 3.867 3.960 0.004 0.000 0.599 267 G HA3 -0.095 3.867 3.960 0.004 0.000 0.599 267 G C -3.139 171.554 174.900 -0.345 0.000 1.292 267 G CA -1.286 43.487 45.100 -0.545 0.000 0.922 267 G HN 0.145 nan 8.290 nan 0.000 0.514 268 P HA 0.577 nan 4.420 nan 0.000 0.276 268 P C -0.777 176.355 177.300 -0.281 0.000 1.230 268 P CA -0.080 62.914 63.100 -0.176 0.000 0.776 268 P CB 0.474 32.122 31.700 -0.086 0.000 0.888 269 F N 0.661 120.599 119.950 -0.021 0.000 2.399 269 F HA 0.349 4.878 4.527 0.003 0.000 0.334 269 F C 1.125 176.941 175.800 0.026 0.000 1.097 269 F CA 0.244 58.248 58.000 0.008 0.000 1.076 269 F CB 1.318 40.334 39.000 0.027 0.000 1.162 269 F HN 0.116 nan 8.300 nan 0.000 0.495 270 T N 2.794 117.475 114.554 0.211 0.000 2.812 270 T HA 0.179 4.531 4.350 0.004 0.000 0.282 270 T C -1.091 173.705 174.700 0.161 0.000 0.990 270 T CA -0.490 61.699 62.100 0.148 0.000 0.960 270 T CB 0.464 69.369 68.868 0.061 0.000 0.948 270 T HN 0.360 nan 8.240 nan 0.000 0.438 271 Y N 3.637 123.979 120.300 0.069 0.000 2.610 271 Y HA 0.107 4.660 4.550 0.004 0.000 0.332 271 Y C 1.267 177.115 175.900 -0.086 0.000 1.201 271 Y CA 0.209 58.326 58.100 0.027 0.000 1.465 271 Y CB 0.514 39.018 38.460 0.074 0.000 1.283 271 Y HN 0.495 nan 8.280 nan 0.000 0.563 272 R N 3.312 123.276 120.500 -0.892 0.000 2.310 272 R HA 0.416 4.758 4.340 0.004 0.000 0.199 272 R C 0.529 176.282 176.300 -0.912 0.000 0.891 272 R CA 0.563 56.206 56.100 -0.761 0.000 1.060 272 R CB 0.555 30.451 30.300 -0.673 0.000 1.188 272 R HN 0.938 nan 8.270 nan 0.000 0.607 273 G N 0.605 108.496 108.800 -1.515 0.000 2.367 273 G HA2 0.151 4.113 3.960 0.004 0.000 0.272 273 G HA3 0.151 4.113 3.960 0.004 0.000 0.272 273 G C -1.793 172.849 174.900 -0.429 0.000 1.271 273 G CA -0.615 44.061 45.100 -0.707 0.000 0.893 273 G HN 0.257 nan 8.290 nan 0.000 0.485 274 H N -1.487 117.585 119.070 0.003 0.000 2.930 274 H HA 0.671 5.230 4.556 0.004 0.000 0.371 274 H C -0.560 174.807 175.328 0.065 0.000 1.169 274 H CA -0.592 55.439 56.048 -0.028 0.000 1.157 274 H CB 1.626 31.334 29.762 -0.091 0.000 1.789 274 H HN 1.127 nan 8.280 nan 0.000 0.547 275 F N 0.812 120.779 119.950 0.029 0.000 2.915 275 F HA 0.452 4.982 4.527 0.005 0.000 0.347 275 F C -1.380 174.359 175.800 -0.101 0.000 1.104 275 F CA -0.646 57.289 58.000 -0.109 0.000 1.126 275 F CB 0.553 39.393 39.000 -0.266 0.000 1.145 275 F HN 0.294 nan 8.300 nan 0.000 0.541 276 L N 2.276 123.424 121.223 -0.125 0.000 2.482 276 L HA 0.511 4.853 4.340 0.004 0.000 0.269 276 L C -0.517 176.333 176.870 -0.033 0.000 0.967 276 L CA -0.836 53.981 54.840 -0.038 0.000 0.851 276 L CB 1.710 43.692 42.059 -0.129 0.000 1.242 276 L HN 0.055 nan 8.230 nan 0.000 0.404 277 K N 2.605 123.072 120.400 0.111 0.000 2.187 277 K HA 0.144 4.467 4.320 0.004 0.000 0.247 277 K C 0.250 176.874 176.600 0.040 0.000 1.019 277 K CA -0.417 55.855 56.287 -0.025 0.000 0.893 277 K CB 0.322 32.649 32.500 -0.289 0.000 1.025 277 K HN 0.653 nan 8.250 nan 0.000 0.500 278 N N 1.912 120.586 118.700 -0.043 0.000 2.407 278 N HA -0.041 4.701 4.740 0.004 0.000 0.250 278 N C -1.711 173.901 175.510 0.170 0.000 1.236 278 N CA -1.101 51.992 53.050 0.070 0.000 0.879 278 N CB 0.748 39.279 38.487 0.073 0.000 1.088 278 N HN 0.261 nan 8.380 nan 0.000 0.450 279 P HA -0.128 nan 4.420 nan 0.000 0.217 279 P C 1.145 178.667 177.300 0.370 0.000 1.148 279 P CA 1.239 64.616 63.100 0.463 0.000 0.828 279 P CB -0.137 31.839 31.700 0.460 0.000 0.783 280 G N 0.476 109.408 108.800 0.221 0.000 2.450 280 G HA2 -0.236 3.727 3.960 0.004 0.000 0.220 280 G HA3 -0.236 3.727 3.960 0.004 0.000 0.220 280 G C 1.763 176.662 174.900 -0.002 0.000 1.130 280 G CA 0.917 46.098 45.100 0.135 0.000 0.760 280 G HN 0.383 nan 8.290 nan 0.000 0.557 281 A N 0.044 122.769 122.820 -0.159 0.000 1.972 281 A HA 0.193 4.515 4.320 0.004 0.000 0.219 281 A C 2.033 179.298 177.584 -0.532 0.000 1.169 281 A CA 1.274 53.066 52.037 -0.408 0.000 0.635 281 A CB -0.344 18.265 19.000 -0.652 0.000 0.810 281 A HN 0.340 nan 8.150 nan 0.000 0.446 282 F N -2.854 116.910 119.950 -0.309 0.000 2.437 282 F HA 0.242 4.772 4.527 0.005 0.000 0.288 282 F C 1.333 176.752 175.800 -0.635 0.000 1.085 282 F CA 0.447 58.060 58.000 -0.645 0.000 1.430 282 F CB -0.027 38.215 39.000 -1.263 0.000 1.120 282 F HN 0.165 nan 8.300 nan 0.000 0.556 283 F N -0.184 119.907 119.950 0.235 0.000 2.706 283 F HA 0.557 5.085 4.527 0.003 0.000 0.313 283 F C 0.922 176.827 175.800 0.175 0.000 1.096 283 F CA -0.225 57.897 58.000 0.203 0.000 1.219 283 F CB 0.111 39.206 39.000 0.160 0.000 1.051 283 F HN -0.037 nan 8.300 nan 0.000 0.568 284 G N -0.083 108.856 108.800 0.232 0.000 2.697 284 G HA2 0.432 4.395 3.960 0.004 0.000 0.686 284 G HA3 0.432 4.395 3.960 0.004 0.000 0.686 284 G C 0.254 175.248 174.900 0.156 0.000 1.179 284 G CA -0.673 44.527 45.100 0.167 0.000 0.765 284 G HN 1.105 nan 8.290 nan 0.000 0.649 285 G N 0.042 108.904 108.800 0.103 0.000 2.531 285 G HA2 0.499 4.461 3.960 0.004 0.000 0.274 285 G HA3 0.499 4.461 3.960 0.004 0.000 0.274 285 G C 1.396 176.347 174.900 0.084 0.000 1.159 285 G CA 1.414 46.566 45.100 0.087 0.000 0.969 285 G HN 3.145 nan 8.290 nan 0.000 0.554 286 G N -2.604 106.253 108.800 0.094 0.000 2.349 286 G HA2 0.839 4.802 3.960 0.004 0.000 0.294 286 G HA3 0.839 4.802 3.960 0.004 0.000 0.294 286 G C 0.085 175.041 174.900 0.093 0.000 1.380 286 G CA 1.170 46.332 45.100 0.104 0.000 0.811 286 G HN 2.798 nan 8.290 nan 0.000 0.519 287 G N -0.705 108.162 108.800 0.112 0.000 2.344 287 G HA2 0.547 4.510 3.960 0.004 0.000 0.282 287 G HA3 0.547 4.510 3.960 0.004 0.000 0.282 287 G C -0.927 174.112 174.900 0.232 0.000 1.281 287 G CA 0.096 45.253 45.100 0.095 0.000 0.877 287 G HN 1.723 nan 8.290 nan 0.000 0.494 288 N N 0.219 119.097 118.700 0.296 0.000 2.467 288 N HA 0.500 5.242 4.740 0.004 0.000 0.262 288 N C -0.434 175.404 175.510 0.546 0.000 1.234 288 N CA -0.421 52.922 53.050 0.488 0.000 0.952 288 N CB 0.912 39.676 38.487 0.462 0.000 1.158 288 N HN 0.551 nan 8.380 nan 0.000 0.463 289 N N -0.331 118.643 118.700 0.457 0.000 2.346 289 N HA 0.253 4.995 4.740 0.004 0.000 0.289 289 N C -2.002 173.588 175.510 0.133 0.000 1.027 289 N CA -0.383 52.815 53.050 0.247 0.000 0.864 289 N CB 0.602 39.209 38.487 0.200 0.000 1.370 289 N HN 0.664 nan 8.380 nan 0.000 0.481 290 H N 2.474 121.386 119.070 -0.263 0.000 2.865 290 H HA 0.337 4.895 4.556 0.003 0.000 0.362 290 H C -1.122 174.196 175.328 -0.017 0.000 1.114 290 H CA -0.260 55.688 56.048 -0.168 0.000 1.208 290 H CB 1.423 30.978 29.762 -0.345 0.000 1.727 290 H HN 0.822 nan 8.280 nan 0.000 0.534 291 H N 1.844 120.859 119.070 -0.092 0.000 2.990 291 H HA 0.738 5.296 4.556 0.003 0.000 0.336 291 H C -2.074 173.330 175.328 0.127 0.000 1.306 291 H CA -0.708 55.405 56.048 0.107 0.000 1.118 291 H CB 1.562 31.400 29.762 0.126 0.000 1.856 291 H HN 0.667 nan 8.280 nan 0.000 0.538 292 A N 1.438 124.276 122.820 0.029 0.000 2.517 292 A HA 0.521 4.843 4.320 0.004 0.000 0.297 292 A C -1.366 176.444 177.584 0.377 0.000 1.050 292 A CA -0.494 51.573 52.037 0.050 0.000 0.694 292 A CB 1.612 20.690 19.000 0.131 0.000 1.277 292 A HN 0.415 nan 8.150 nan 0.000 0.400 293 V N 2.662 122.776 119.914 0.333 0.000 2.481 293 V HA 0.777 4.900 4.120 0.004 0.000 0.286 293 V C -0.351 176.027 176.094 0.473 0.000 1.042 293 V CA -0.058 62.380 62.300 0.230 0.000 0.928 293 V CB 0.522 32.182 31.823 -0.273 0.000 0.986 293 V HN 1.020 nan 8.190 nan 0.000 0.462 294 F N 1.713 121.871 119.950 0.347 0.000 2.686 294 F HA 0.602 5.131 4.527 0.003 0.000 0.311 294 F C -0.966 174.946 175.800 0.188 0.000 1.128 294 F CA -1.080 57.126 58.000 0.343 0.000 0.946 294 F CB 1.937 41.113 39.000 0.293 0.000 1.336 294 F HN 0.355 nan 8.300 nan 0.000 0.457 295 N N 1.705 120.365 118.700 -0.066 0.000 2.407 295 N HA 0.394 5.137 4.740 0.004 0.000 0.277 295 N C -2.305 173.298 175.510 0.154 0.000 0.995 295 N CA -0.184 52.586 53.050 -0.468 0.000 0.903 295 N CB 1.668 39.371 38.487 -1.306 0.000 1.218 295 N HN 0.699 nan 8.380 nan 0.000 0.487 296 F N 3.599 123.636 119.950 0.145 0.000 2.539 296 F HA 0.378 4.909 4.527 0.006 0.000 0.318 296 F C 0.399 176.304 175.800 0.175 0.000 1.135 296 F CA -0.704 57.459 58.000 0.272 0.000 0.915 296 F CB 0.902 40.192 39.000 0.484 0.000 1.176 296 F HN 0.539 nan 8.300 nan 0.000 0.440 297 K N 5.006 125.028 120.400 -0.629 0.000 3.156 297 K HA -0.340 3.983 4.320 0.004 0.000 0.266 297 K C 0.009 176.460 176.600 -0.249 0.000 0.966 297 K CA 1.274 57.233 56.287 -0.547 0.000 0.719 297 K CB -1.553 30.465 32.500 -0.802 0.000 1.333 297 K HN 0.983 nan 8.250 nan 0.000 0.468 298 N N -1.044 117.533 118.700 -0.204 0.000 2.776 298 N HA -0.217 4.525 4.740 0.004 0.000 0.250 298 N C -0.459 174.928 175.510 -0.206 0.000 1.112 298 N CA 1.198 54.136 53.050 -0.185 0.000 0.733 298 N CB -0.384 38.027 38.487 -0.126 0.000 1.097 298 N HN 0.590 nan 8.380 nan 0.000 0.558 299 E N -0.223 119.818 120.200 -0.265 0.000 2.317 299 E HA 0.514 4.866 4.350 0.004 0.000 0.270 299 E C -1.473 174.735 176.600 -0.653 0.000 0.885 299 E CA -0.652 55.507 56.400 -0.402 0.000 0.760 299 E CB 0.903 30.345 29.700 -0.429 0.000 1.227 299 E HN 0.215 nan 8.360 nan 0.000 0.434 300 W N 3.374 124.366 121.300 -0.513 0.000 2.315 300 W HA 0.483 5.145 4.660 0.004 0.000 0.316 300 W C -0.583 175.421 176.519 -0.859 0.000 1.211 300 W CA 0.014 57.045 57.345 -0.522 0.000 1.201 300 W CB 0.692 29.971 29.460 -0.302 0.000 1.184 300 W HN 0.407 nan 8.180 nan 0.000 0.544 301 Y N 1.082 121.216 120.300 -0.278 0.000 2.615 301 Y HA 0.614 5.164 4.550 0.001 0.000 0.341 301 Y C -0.665 174.996 175.900 -0.398 0.000 1.089 301 Y CA -1.511 56.331 58.100 -0.430 0.000 1.049 301 Y CB 1.512 39.523 38.460 -0.749 0.000 1.296 301 Y HN 0.087 nan 8.280 nan 0.000 0.470 302 V N 2.363 122.332 119.914 0.091 0.000 2.588 302 V HA 0.698 4.820 4.120 0.004 0.000 0.304 302 V C -1.489 174.903 176.094 0.496 0.000 1.042 302 V CA -0.786 61.677 62.300 0.272 0.000 0.877 302 V CB 1.826 33.787 31.823 0.230 0.000 0.996 302 V HN 0.627 nan 8.190 nan 0.000 0.425 303 V N 8.641 128.910 119.914 0.592 0.000 2.481 303 V HA 0.777 4.899 4.120 0.004 0.000 0.286 303 V C -0.745 175.589 176.094 0.400 0.000 1.042 303 V CA 0.070 62.620 62.300 0.418 0.000 0.928 303 V CB 1.375 33.387 31.823 0.315 0.000 0.986 303 V HN 1.036 nan 8.190 nan 0.000 0.462 304 Y N 4.024 124.439 120.300 0.192 0.000 2.744 304 Y HA 0.701 5.253 4.550 0.003 0.000 0.330 304 Y C -0.595 175.373 175.900 0.114 0.000 1.263 304 Y CA -1.201 56.978 58.100 0.132 0.000 1.065 304 Y CB 1.200 39.737 38.460 0.128 0.000 1.306 304 Y HN 0.806 nan 8.280 nan 0.000 0.459 305 H N 0.854 120.036 119.070 0.187 0.000 2.771 305 H HA 1.004 5.562 4.556 0.003 0.000 0.367 305 H C -1.572 173.776 175.328 0.033 0.000 1.172 305 H CA -1.093 54.959 56.048 0.005 0.000 1.186 305 H CB 2.207 31.983 29.762 0.024 0.000 1.790 305 H HN 1.124 nan 8.280 nan 0.000 0.556 306 A N 1.210 124.070 122.820 0.067 0.000 2.610 306 A HA 0.208 4.531 4.320 0.004 0.000 0.291 306 A C -0.884 176.684 177.584 -0.026 0.000 1.086 306 A CA -0.922 51.108 52.037 -0.012 0.000 0.677 306 A CB 1.898 20.637 19.000 -0.435 0.000 1.278 306 A HN 0.799 nan 8.150 nan 0.000 0.414 307 Q N 1.013 120.844 119.800 0.051 0.000 2.620 307 Q HA 0.125 4.468 4.340 0.004 0.000 0.333 307 Q C 0.811 176.878 176.000 0.112 0.000 1.017 307 Q CA 0.439 56.298 55.803 0.093 0.000 0.962 307 Q CB -0.160 28.657 28.738 0.131 0.000 1.297 307 Q HN 0.881 nan 8.270 nan 0.000 0.419 308 T N -4.671 109.920 114.554 0.062 0.000 3.043 308 T HA 0.013 4.365 4.350 0.004 0.000 0.263 308 T C 1.629 176.401 174.700 0.120 0.000 1.094 308 T CA 0.261 62.426 62.100 0.110 0.000 1.127 308 T CB 0.168 69.092 68.868 0.092 0.000 0.905 308 T HN 0.120 nan 8.240 nan 0.000 0.490 309 V N 2.417 122.386 119.914 0.091 0.000 2.374 309 V HA -0.070 4.052 4.120 0.004 0.000 0.241 309 V C 3.110 179.236 176.094 0.054 0.000 1.034 309 V CA 1.586 63.920 62.300 0.057 0.000 1.037 309 V CB -0.542 31.305 31.823 0.040 0.000 0.682 309 V HN 0.676 nan 8.190 nan 0.000 0.463 310 S N 1.828 117.627 115.700 0.165 0.000 2.374 310 S HA -0.259 4.214 4.470 0.004 0.000 0.227 310 S C 2.161 176.845 174.600 0.140 0.000 1.037 310 S CA 1.961 60.305 58.200 0.239 0.000 1.024 310 S CB -0.982 62.548 63.200 0.550 0.000 0.861 310 S HN 0.714 nan 8.310 nan 0.000 0.456 311 S N 3.192 118.992 115.700 0.167 0.000 2.370 311 S HA 0.014 4.486 4.470 0.004 0.000 0.226 311 S C 2.124 176.769 174.600 0.076 0.000 1.033 311 S CA 0.984 59.275 58.200 0.153 0.000 1.011 311 S CB -1.116 62.190 63.200 0.175 0.000 0.852 311 S HN 0.856 nan 8.310 nan 0.000 0.457 312 A N 1.607 124.449 122.820 0.037 0.000 1.969 312 A HA 0.219 4.541 4.320 0.004 0.000 0.218 312 A C 2.296 179.820 177.584 -0.101 0.000 1.169 312 A CA 1.186 53.225 52.037 0.003 0.000 0.635 312 A CB -0.676 18.336 19.000 0.021 0.000 0.810 312 A HN 0.542 nan 8.150 nan 0.000 0.445 313 L N -2.537 118.515 121.223 -0.285 0.000 2.095 313 L HA 0.003 4.345 4.340 0.004 0.000 0.204 313 L C 1.766 178.313 176.870 -0.539 0.000 1.080 313 L CA 0.971 55.467 54.840 -0.574 0.000 0.759 313 L CB -0.210 41.188 42.059 -1.101 0.000 0.914 313 L HN 0.417 nan 8.230 nan 0.000 0.439 314 F N -1.214 118.726 119.950 -0.016 0.000 2.724 314 F HA 0.372 4.901 4.527 0.004 0.000 0.306 314 F C 1.718 177.521 175.800 0.006 0.000 1.100 314 F CA 0.183 58.164 58.000 -0.032 0.000 1.255 314 F CB -0.185 38.769 39.000 -0.076 0.000 1.072 314 F HN 0.062 nan 8.300 nan 0.000 0.589 315 G N 0.765 109.657 108.800 0.154 0.000 2.162 315 G HA2 0.038 4.000 3.960 0.004 0.000 0.260 315 G HA3 0.038 4.000 3.960 0.004 0.000 0.260 315 G C 0.102 175.087 174.900 0.141 0.000 0.976 315 G CA 0.116 45.292 45.100 0.127 0.000 0.655 315 G HN 0.889 nan 8.290 nan 0.000 0.533 316 A N -1.622 121.311 122.820 0.188 0.000 2.566 316 A HA 0.819 5.142 4.320 0.004 0.000 0.297 316 A C 0.998 178.718 177.584 0.227 0.000 1.059 316 A CA 0.539 52.676 52.037 0.167 0.000 0.691 316 A CB 0.641 19.714 19.000 0.121 0.000 1.282 316 A HN 1.546 nan 8.150 nan 0.000 0.401 317 G N 0.350 109.267 108.800 0.195 0.000 2.403 317 G HA2 0.058 4.020 3.960 0.004 0.000 0.216 317 G HA3 0.058 4.020 3.960 0.004 0.000 0.216 317 G C 0.731 175.794 174.900 0.271 0.000 1.154 317 G CA 0.780 46.019 45.100 0.232 0.000 0.784 317 G HN 1.114 nan 8.290 nan 0.000 0.538 318 K N -1.263 119.233 120.400 0.159 0.000 3.130 318 K HA -0.230 4.093 4.320 0.004 0.000 0.282 318 K C 1.296 177.811 176.600 -0.141 0.000 1.145 318 K CA 0.458 56.796 56.287 0.085 0.000 0.831 318 K CB -1.699 30.927 32.500 0.210 0.000 1.226 318 K HN 1.183 nan 8.250 nan 0.000 0.478 319 G N -0.941 107.790 108.800 -0.116 0.000 2.157 319 G HA2 -0.336 3.626 3.960 0.004 0.000 0.248 319 G HA3 -0.336 3.626 3.960 0.004 0.000 0.248 319 G C -0.277 174.425 174.900 -0.329 0.000 0.979 319 G CA 0.450 45.401 45.100 -0.250 0.000 0.650 319 G HN 0.298 nan 8.290 nan 0.000 0.529 320 Y N 0.609 120.940 120.300 0.051 0.000 2.326 320 Y HA 0.732 5.284 4.550 0.003 0.000 0.337 320 Y C 1.051 176.944 175.900 -0.011 0.000 1.023 320 Y CA -0.569 57.553 58.100 0.037 0.000 1.143 320 Y CB 1.056 39.631 38.460 0.191 0.000 1.183 320 Y HN 0.189 nan 8.280 nan 0.000 0.485 321 R N 1.068 121.580 120.500 0.019 0.000 2.854 321 R HA 0.818 5.160 4.340 0.004 0.000 0.271 321 R C -0.978 175.292 176.300 -0.050 0.000 0.996 321 R CA -0.918 55.115 56.100 -0.112 0.000 0.961 321 R CB 2.157 32.168 30.300 -0.482 0.000 1.182 321 R HN 0.545 nan 8.270 nan 0.000 0.479 322 S N 1.581 117.265 115.700 -0.026 0.000 2.549 322 S HA 0.547 5.019 4.470 0.004 0.000 0.280 322 S C -2.736 171.871 174.600 0.012 0.000 1.109 322 S CA -1.331 56.862 58.200 -0.012 0.000 0.905 322 S CB 2.390 65.594 63.200 0.005 0.000 1.081 322 S HN 0.420 nan 8.310 nan 0.000 0.477 323 P HA 0.368 nan 4.420 nan 0.000 0.282 323 P C -1.239 175.987 177.300 -0.122 0.000 1.249 323 P CA -0.183 62.847 63.100 -0.116 0.000 0.806 323 P CB 0.664 32.225 31.700 -0.232 0.000 0.984 324 H N 1.070 119.812 119.070 -0.545 0.000 2.895 324 H HA 0.567 5.126 4.556 0.004 0.000 0.373 324 H C -0.479 174.524 175.328 -0.541 0.000 1.174 324 H CA -0.898 54.767 56.048 -0.639 0.000 1.144 324 H CB 2.250 31.367 29.762 -1.075 0.000 1.793 324 H HN 0.282 nan 8.280 nan 0.000 0.551 325 I N 1.995 122.515 120.570 -0.082 0.000 2.582 325 I HA 0.218 4.391 4.170 0.004 0.000 0.292 325 I C -0.836 175.447 176.117 0.277 0.000 1.066 325 I CA -0.409 60.980 61.300 0.148 0.000 1.053 325 I CB 2.209 40.306 38.000 0.161 0.000 1.241 325 I HN 0.537 nan 8.210 nan 0.000 0.421 326 N N 3.463 122.403 118.700 0.399 0.000 2.455 326 N HA 0.348 5.091 4.740 0.004 0.000 0.278 326 N C -1.187 174.507 175.510 0.307 0.000 1.291 326 N CA -1.038 52.205 53.050 0.322 0.000 0.780 326 N CB 2.061 40.703 38.487 0.259 0.000 1.520 326 N HN 0.430 nan 8.380 nan 0.000 0.486 327 K N 1.037 121.578 120.400 0.235 0.000 2.414 327 K HA 0.262 4.584 4.320 0.004 0.000 0.272 327 K C -1.103 175.447 176.600 -0.084 0.000 0.993 327 K CA -0.012 56.306 56.287 0.052 0.000 0.964 327 K CB 0.437 32.930 32.500 -0.012 0.000 0.925 327 K HN 0.467 nan 8.250 nan 0.000 0.487 328 L N 4.185 125.277 121.223 -0.218 0.000 2.365 328 L HA 0.475 4.817 4.340 0.004 0.000 0.273 328 L C -1.539 175.072 176.870 -0.430 0.000 1.000 328 L CA -0.841 53.770 54.840 -0.381 0.000 0.819 328 L CB 1.939 43.670 42.059 -0.547 0.000 1.284 328 L HN 0.380 nan 8.230 nan 0.000 0.418 329 V N 3.465 123.083 119.914 -0.494 0.000 2.444 329 V HA 0.378 4.500 4.120 0.004 0.000 0.294 329 V C -0.797 174.940 176.094 -0.596 0.000 1.022 329 V CA -0.582 61.474 62.300 -0.407 0.000 0.850 329 V CB 1.337 33.022 31.823 -0.230 0.000 0.992 329 V HN 0.715 nan 8.190 nan 0.000 0.426 330 H N 3.156 121.888 119.070 -0.564 0.000 2.580 330 H HA 0.406 4.963 4.556 0.003 0.000 0.322 330 H C 0.330 175.456 175.328 -0.337 0.000 1.082 330 H CA -0.266 55.389 56.048 -0.655 0.000 1.383 330 H CB 0.634 29.596 29.762 -1.333 0.000 1.450 330 H HN 0.548 nan 8.280 nan 0.000 0.505 331 N N 0.902 119.533 118.700 -0.116 0.000 2.408 331 N HA 0.096 4.838 4.740 0.004 0.000 0.260 331 N C 1.091 176.623 175.510 0.037 0.000 1.242 331 N CA 0.167 53.198 53.050 -0.032 0.000 0.959 331 N CB 0.944 39.417 38.487 -0.023 0.000 1.201 331 N HN 0.751 nan 8.380 nan 0.000 0.511 332 A N 0.480 123.329 122.820 0.047 0.000 1.978 332 A HA -0.209 4.113 4.320 0.004 0.000 0.220 332 A C 1.199 178.834 177.584 0.085 0.000 1.170 332 A CA 1.999 54.079 52.037 0.072 0.000 0.636 332 A CB -0.462 18.567 19.000 0.048 0.000 0.810 332 A HN 0.785 nan 8.150 nan 0.000 0.448 333 D N -2.479 117.964 120.400 0.071 0.000 2.328 333 D HA 0.288 4.930 4.640 0.004 0.000 0.226 333 D C 1.159 177.529 176.300 0.116 0.000 1.066 333 D CA 0.969 55.016 54.000 0.078 0.000 0.861 333 D CB -0.484 40.349 40.800 0.055 0.000 0.912 333 D HN 0.779 nan 8.370 nan 0.000 0.521 334 G N 0.169 109.062 108.800 0.154 0.000 2.217 334 G HA2 -0.301 3.661 3.960 0.004 0.000 0.246 334 G HA3 -0.301 3.661 3.960 0.004 0.000 0.246 334 G C 0.502 175.558 174.900 0.261 0.000 0.990 334 G CA 0.418 45.668 45.100 0.250 0.000 0.627 334 G HN 0.832 nan 8.290 nan 0.000 0.522 335 S N -0.077 115.722 115.700 0.166 0.000 2.608 335 S HA 0.696 5.168 4.470 0.004 0.000 0.261 335 S C 0.248 174.836 174.600 -0.020 0.000 1.314 335 S CA -0.233 58.079 58.200 0.188 0.000 0.992 335 S CB 1.514 64.792 63.200 0.130 0.000 0.935 335 S HN 0.673 nan 8.310 nan 0.000 0.564 336 I N 1.263 121.763 120.570 -0.116 0.000 2.433 336 I HA 0.282 4.454 4.170 0.004 0.000 0.292 336 I C 0.308 176.278 176.117 -0.246 0.000 1.001 336 I CA -0.655 60.381 61.300 -0.440 0.000 1.119 336 I CB 1.788 39.246 38.000 -0.903 0.000 1.289 336 I HN 0.677 nan 8.210 nan 0.000 0.438 337 Q N 4.407 124.045 119.800 -0.271 0.000 2.394 337 Q HA 0.151 4.494 4.340 0.004 0.000 0.248 337 Q C -0.392 175.539 176.000 -0.116 0.000 0.992 337 Q CA -0.558 55.150 55.803 -0.157 0.000 0.888 337 Q CB 0.836 29.486 28.738 -0.147 0.000 1.257 337 Q HN 0.397 nan 8.270 nan 0.000 0.462 338 E N 1.250 121.422 120.200 -0.047 0.000 2.480 338 E HA -0.029 4.323 4.350 0.004 0.000 0.258 338 E C -0.625 175.974 176.600 -0.002 0.000 0.984 338 E CA 0.152 56.562 56.400 0.016 0.000 0.930 338 E CB 0.500 30.224 29.700 0.040 0.000 0.936 338 E HN 0.268 nan 8.360 nan 0.000 0.466 339 V N 2.578 122.501 119.914 0.014 0.000 2.572 339 V HA 0.059 4.182 4.120 0.004 0.000 0.291 339 V C 0.713 176.773 176.094 -0.055 0.000 1.039 339 V CA 0.039 62.308 62.300 -0.051 0.000 1.055 339 V CB 1.051 32.830 31.823 -0.074 0.000 0.969 339 V HN 0.701 nan 8.190 nan 0.000 0.482 340 A N 5.349 128.131 122.820 -0.063 0.000 3.015 340 A HA 0.666 4.988 4.320 0.004 0.000 0.293 340 A C 0.798 178.265 177.584 -0.194 0.000 1.572 340 A CA -0.055 51.949 52.037 -0.055 0.000 1.274 340 A CB -0.475 18.532 19.000 0.012 0.000 1.156 340 A HN 1.186 nan 8.150 nan 0.000 0.562 341 A N 2.858 125.296 122.820 -0.637 0.000 2.511 341 A HA 0.488 4.810 4.320 0.004 0.000 0.242 341 A C 0.480 177.826 177.584 -0.396 0.000 1.069 341 A CA 0.393 51.999 52.037 -0.718 0.000 0.763 341 A CB -0.162 17.853 19.000 -1.641 0.000 1.001 341 A HN 1.188 nan 8.150 nan 0.000 0.498 342 N N 0.340 119.122 118.700 0.136 0.000 3.378 342 N HA 0.231 4.973 4.740 0.004 0.000 0.294 342 N C -0.400 175.309 175.510 0.332 0.000 1.544 342 N CA -0.511 52.684 53.050 0.241 0.000 0.872 342 N CB 0.031 38.623 38.487 0.174 0.000 1.670 342 N HN 0.204 nan 8.380 nan 0.000 0.551 343 Y N -0.571 119.968 120.300 0.399 0.000 2.397 343 Y HA 0.428 4.979 4.550 0.002 0.000 0.292 343 Y C 2.424 178.419 175.900 0.158 0.000 1.115 343 Y CA 1.371 59.609 58.100 0.229 0.000 1.208 343 Y CB -0.479 38.121 38.460 0.233 0.000 1.046 343 Y HN 0.748 nan 8.280 nan 0.000 0.552 344 A N 0.437 123.452 122.820 0.326 0.000 1.908 344 A HA 0.137 4.459 4.320 0.004 0.000 0.218 344 A C 2.050 179.761 177.584 0.212 0.000 1.181 344 A CA 1.652 53.836 52.037 0.245 0.000 0.627 344 A CB -1.384 17.737 19.000 0.203 0.000 0.818 344 A HN 0.569 nan 8.150 nan 0.000 0.445 345 G N -2.199 106.718 108.800 0.194 0.000 2.564 345 G HA2 -0.183 3.779 3.960 0.004 0.000 0.273 345 G HA3 -0.183 3.779 3.960 0.004 0.000 0.273 345 G C -0.025 174.983 174.900 0.180 0.000 1.242 345 G CA 0.022 45.227 45.100 0.175 0.000 0.951 345 G HN 1.116 nan 8.290 nan 0.000 0.564 346 V N 1.435 121.455 119.914 0.176 0.000 2.407 346 V HA 0.491 4.613 4.120 0.004 0.000 0.278 346 V C 1.055 177.245 176.094 0.160 0.000 1.037 346 V CA 0.200 62.610 62.300 0.183 0.000 0.900 346 V CB 1.128 33.051 31.823 0.166 0.000 0.983 346 V HN 0.912 nan 8.190 nan 0.000 0.459 347 T N 4.750 119.396 114.554 0.154 0.000 2.940 347 T HA 0.053 4.405 4.350 0.004 0.000 0.309 347 T C 0.269 175.035 174.700 0.110 0.000 1.056 347 T CA 0.161 62.342 62.100 0.134 0.000 1.137 347 T CB 0.318 69.256 68.868 0.116 0.000 0.976 347 T HN 0.792 nan 8.240 nan 0.000 0.547 348 Q N 2.233 122.090 119.800 0.096 0.000 2.269 348 Q HA -0.034 4.308 4.340 0.004 0.000 0.300 348 Q C 0.720 176.745 176.000 0.042 0.000 1.070 348 Q CA -0.192 55.641 55.803 0.050 0.000 0.957 348 Q CB 0.251 29.016 28.738 0.046 0.000 1.131 348 Q HN 0.517 nan 8.270 nan 0.000 0.377 349 I N 1.621 122.207 120.570 0.026 0.000 2.584 349 I HA -0.042 4.131 4.170 0.004 0.000 0.255 349 I C 0.721 176.836 176.117 -0.003 0.000 1.145 349 I CA 0.966 62.281 61.300 0.026 0.000 1.462 349 I CB -0.909 37.112 38.000 0.035 0.000 1.102 349 I HN 0.627 nan 8.210 nan 0.000 0.433 350 S N 0.203 115.892 115.700 -0.018 0.000 2.537 350 S HA 0.461 4.934 4.470 0.004 0.000 0.270 350 S C -0.583 173.996 174.600 -0.035 0.000 1.142 350 S CA -1.001 57.182 58.200 -0.028 0.000 0.870 350 S CB 2.099 65.275 63.200 -0.040 0.000 1.112 350 S HN 0.045 nan 8.310 nan 0.000 0.466 351 N N 0.638 119.320 118.700 -0.031 0.000 2.371 351 N HA 0.367 5.109 4.740 0.004 0.000 0.243 351 N C -0.639 174.840 175.510 -0.053 0.000 1.287 351 N CA -0.420 52.607 53.050 -0.038 0.000 0.911 351 N CB 0.233 38.698 38.487 -0.036 0.000 1.142 351 N HN 0.704 nan 8.380 nan 0.000 0.451 352 L N 1.348 122.533 121.223 -0.062 0.000 2.309 352 L HA 0.340 4.682 4.340 0.004 0.000 0.282 352 L C -0.128 176.691 176.870 -0.084 0.000 1.036 352 L CA -0.530 54.273 54.840 -0.063 0.000 0.806 352 L CB 0.739 42.780 42.059 -0.031 0.000 1.220 352 L HN 0.393 nan 8.230 nan 0.000 0.429 353 N N 6.173 124.836 118.700 -0.063 0.000 2.420 353 N HA 0.327 5.069 4.740 0.004 0.000 0.249 353 N C -2.075 173.390 175.510 -0.076 0.000 1.033 353 N CA -1.961 51.054 53.050 -0.058 0.000 0.944 353 N CB 1.309 39.807 38.487 0.019 0.000 1.113 353 N HN 0.459 nan 8.380 nan 0.000 0.502 354 P HA 0.050 nan 4.420 nan 0.000 0.249 354 P C -0.012 177.338 177.300 0.083 0.000 1.229 354 P CA 0.446 63.532 63.100 -0.023 0.000 0.788 354 P CB 0.031 31.436 31.700 -0.491 0.000 1.072 355 Y N -0.778 119.671 120.300 0.249 0.000 2.462 355 Y HA 0.181 4.732 4.550 0.000 0.000 0.261 355 Y C 1.244 177.231 175.900 0.146 0.000 1.146 355 Y CA -0.464 57.785 58.100 0.250 0.000 1.283 355 Y CB -0.481 38.090 38.460 0.186 0.000 1.090 355 Y HN -0.052 nan 8.280 nan 0.000 0.526 356 N N 1.012 119.814 118.700 0.171 0.000 2.434 356 N HA 0.109 4.851 4.740 0.004 0.000 0.266 356 N C 0.043 175.530 175.510 -0.039 0.000 1.223 356 N CA -0.649 52.428 53.050 0.045 0.000 0.972 356 N CB 0.556 39.031 38.487 -0.020 0.000 1.207 356 N HN 0.098 nan 8.380 nan 0.000 0.525 357 R N 0.628 121.056 120.500 -0.119 0.000 2.458 357 R HA 0.124 4.466 4.340 0.004 0.000 0.303 357 R C -1.117 174.975 176.300 -0.347 0.000 1.013 357 R CA 0.100 56.055 56.100 -0.242 0.000 1.026 357 R CB -0.013 30.066 30.300 -0.367 0.000 0.948 357 R HN 0.223 nan 8.270 nan 0.000 0.417 358 V N 5.157 124.725 119.914 -0.578 0.000 2.448 358 V HA 0.172 4.294 4.120 0.004 0.000 0.295 358 V C -0.296 175.343 176.094 -0.758 0.000 1.025 358 V CA -0.937 60.885 62.300 -0.796 0.000 0.859 358 V CB 1.627 32.620 31.823 -1.382 0.000 0.988 358 V HN 0.786 nan 8.190 nan 0.000 0.431 359 E N 2.530 122.468 120.200 -0.438 0.000 2.413 359 E HA 0.144 4.496 4.350 0.004 0.000 0.263 359 E C 1.201 177.621 176.600 -0.300 0.000 1.015 359 E CA 0.444 56.669 56.400 -0.292 0.000 0.916 359 E CB 1.200 30.777 29.700 -0.205 0.000 0.947 359 E HN 0.758 nan 8.360 nan 0.000 0.440 360 A N 3.641 126.290 122.820 -0.285 0.000 1.972 360 A HA -0.185 4.137 4.320 0.004 0.000 0.219 360 A C 1.497 179.126 177.584 0.074 0.000 1.169 360 A CA 1.461 53.322 52.037 -0.294 0.000 0.635 360 A CB -0.333 18.060 19.000 -1.012 0.000 0.810 360 A HN 0.619 nan 8.150 nan 0.000 0.446 361 E N 0.334 120.555 120.200 0.036 0.000 2.485 361 E HA -0.025 4.327 4.350 0.004 0.000 0.194 361 E C -0.639 175.864 176.600 -0.162 0.000 1.098 361 E CA 0.495 56.947 56.400 0.088 0.000 0.878 361 E CB -0.691 29.009 29.700 -0.001 0.000 0.939 361 E HN 0.280 nan 8.360 nan 0.000 0.503 362 T N 2.493 117.003 114.554 -0.075 0.000 2.832 362 T HA 0.458 4.810 4.350 0.004 0.000 0.313 362 T C -0.723 174.015 174.700 0.063 0.000 1.035 362 T CA -0.587 61.416 62.100 -0.163 0.000 0.950 362 T CB -0.388 68.381 68.868 -0.165 0.000 0.984 362 T HN 0.240 nan 8.240 nan 0.000 0.486 363 F N -0.150 119.780 119.950 -0.032 0.000 2.686 363 F HA 0.813 5.341 4.527 0.002 0.000 0.311 363 F C 0.361 176.062 175.800 -0.165 0.000 1.128 363 F CA -1.578 56.407 58.000 -0.024 0.000 0.946 363 F CB 0.754 39.780 39.000 0.043 0.000 1.336 363 F HN 0.320 nan 8.300 nan 0.000 0.457 364 A N -0.106 122.669 122.820 -0.076 0.000 1.993 364 A HA 0.407 4.729 4.320 0.004 0.000 0.207 364 A C -0.279 176.846 177.584 -0.765 0.000 1.224 364 A CA 0.323 51.958 52.037 -0.671 0.000 0.749 364 A CB 0.091 18.236 19.000 -1.425 0.000 0.884 364 A HN 0.659 nan 8.150 nan 0.000 0.467 365 W N -0.487 121.004 121.300 0.317 0.000 3.033 365 W HA 0.514 5.173 4.660 -0.001 0.000 0.336 365 W C -1.025 175.535 176.519 0.067 0.000 1.173 365 W CA -0.605 56.902 57.345 0.270 0.000 1.185 365 W CB 0.990 30.666 29.460 0.360 0.000 1.425 365 W HN 0.494 nan 8.180 nan 0.000 0.536 366 N N -0.342 118.319 118.700 -0.066 0.000 2.591 366 N HA 0.732 5.474 4.740 0.004 0.000 0.263 366 N C -1.207 173.668 175.510 -1.059 0.000 1.308 366 N CA -0.747 51.828 53.050 -0.793 0.000 0.837 366 N CB 2.221 40.252 38.487 -0.759 0.000 1.548 366 N HN 0.553 nan 8.380 nan 0.000 0.493 367 G N 0.791 108.636 108.800 -1.590 0.000 2.417 367 G HA2 0.501 4.463 3.960 0.004 0.000 0.282 367 G HA3 0.501 4.463 3.960 0.004 0.000 0.282 367 G C -1.462 173.042 174.900 -0.661 0.000 1.388 367 G CA -0.718 43.826 45.100 -0.927 0.000 1.276 367 G HN 0.533 nan 8.290 nan 0.000 0.602 368 R N 1.764 122.087 120.500 -0.295 0.000 2.502 368 R HA 0.606 4.948 4.340 0.004 0.000 0.300 368 R C -0.452 175.774 176.300 -0.124 0.000 0.984 368 R CA -0.693 55.285 56.100 -0.204 0.000 0.882 368 R CB 1.927 32.172 30.300 -0.091 0.000 1.180 368 R HN 0.595 nan 8.270 nan 0.000 0.444 369 I N -0.453 120.044 120.570 -0.122 0.000 3.445 369 I HA 0.652 4.824 4.170 0.004 0.000 0.303 369 I C -0.970 175.174 176.117 0.046 0.000 1.129 369 I CA -1.201 60.065 61.300 -0.057 0.000 0.989 369 I CB 1.013 38.961 38.000 -0.087 0.000 1.314 369 I HN 0.366 nan 8.210 nan 0.000 0.488 370 L N 0.270 121.546 121.223 0.087 0.000 2.309 370 L HA 0.826 5.168 4.340 0.004 0.000 0.261 370 L C -0.535 176.477 176.870 0.237 0.000 1.021 370 L CA -0.673 54.286 54.840 0.198 0.000 0.823 370 L CB 2.413 44.550 42.059 0.131 0.000 1.366 370 L HN 0.920 nan 8.230 nan 0.000 0.423 371 T N -1.717 113.032 114.554 0.326 0.000 2.887 371 T HA 0.761 5.113 4.350 0.004 0.000 0.288 371 T C -0.823 173.942 174.700 0.108 0.000 1.021 371 T CA -0.738 61.511 62.100 0.247 0.000 1.000 371 T CB 2.279 71.326 68.868 0.297 0.000 1.034 371 T HN 0.785 nan 8.240 nan 0.000 0.467 372 E N 0.527 120.756 120.200 0.047 0.000 2.423 372 E HA 0.402 4.754 4.350 0.004 0.000 0.280 372 E C -1.211 175.261 176.600 -0.214 0.000 1.030 372 E CA -1.335 55.026 56.400 -0.065 0.000 0.812 372 E CB 1.451 31.149 29.700 -0.003 0.000 1.313 372 E HN 0.630 nan 8.360 nan 0.000 0.456 373 K N 0.957 121.248 120.400 -0.182 0.000 2.489 373 K HA 0.089 4.412 4.320 0.004 0.000 0.278 373 K C -0.557 175.828 176.600 -0.358 0.000 1.000 373 K CA 0.185 56.349 56.287 -0.204 0.000 1.012 373 K CB 0.889 33.325 32.500 -0.105 0.000 0.903 373 K HN 0.467 nan 8.250 nan 0.000 0.485 374 S N 1.439 116.919 115.700 -0.366 0.000 2.565 374 S HA 0.137 4.609 4.470 0.004 0.000 0.290 374 S C 0.982 175.532 174.600 -0.083 0.000 1.150 374 S CA -0.544 57.441 58.200 -0.359 0.000 1.058 374 S CB 1.269 64.296 63.200 -0.289 0.000 1.032 374 S HN 0.735 nan 8.310 nan 0.000 0.510 375 T N 1.329 115.969 114.554 0.143 0.000 3.129 375 T HA 0.346 4.698 4.350 0.004 0.000 0.251 375 T C 0.701 175.385 174.700 -0.027 0.000 1.117 375 T CA 0.236 62.433 62.100 0.161 0.000 1.034 375 T CB -0.325 68.759 68.868 0.360 0.000 0.968 375 T HN 0.752 nan 8.240 nan 0.000 0.526 376 A N 3.222 125.733 122.820 -0.515 0.000 2.546 376 A HA 0.453 4.775 4.320 0.004 0.000 0.243 376 A C -2.075 175.245 177.584 -0.439 0.000 1.063 376 A CA -1.078 50.270 52.037 -1.148 0.000 0.757 376 A CB -0.389 17.690 19.000 -1.534 0.000 0.991 376 A HN 0.310 nan 8.150 nan 0.000 0.503 377 P HA 0.376 nan 4.420 nan 0.000 0.267 377 P C 1.008 178.237 177.300 -0.119 0.000 1.200 377 P CA 1.609 64.642 63.100 -0.112 0.000 0.772 377 P CB 0.513 32.197 31.700 -0.027 0.000 0.855 378 G N 1.191 109.936 108.800 -0.092 0.000 2.562 378 G HA2 0.286 4.248 3.960 0.004 0.000 0.250 378 G HA3 0.286 4.248 3.960 0.004 0.000 0.250 378 G C 0.158 174.986 174.900 -0.120 0.000 1.269 378 G CA 0.149 45.193 45.100 -0.094 0.000 0.919 378 G HN 1.177 nan 8.290 nan 0.000 0.574 379 G N -1.292 107.426 108.800 -0.136 0.000 2.795 379 G HA2 0.357 4.319 3.960 0.004 0.000 0.664 379 G HA3 0.357 4.319 3.960 0.004 0.000 0.664 379 G C -1.321 173.508 174.900 -0.119 0.000 1.381 379 G CA 0.715 45.726 45.100 -0.149 0.000 0.853 379 G HN 1.604 nan 8.290 nan 0.000 0.545 380 P HA 0.478 nan 4.420 nan 0.000 0.275 380 P C 0.504 177.766 177.300 -0.063 0.000 1.266 380 P CA -0.442 62.613 63.100 -0.075 0.000 0.793 380 P CB 0.358 32.032 31.700 -0.043 0.000 1.074 381 V N 1.395 121.272 119.914 -0.063 0.000 2.617 381 V HA -0.097 4.025 4.120 0.004 0.000 0.304 381 V C 1.272 177.349 176.094 -0.028 0.000 1.040 381 V CA 0.901 63.160 62.300 -0.069 0.000 1.149 381 V CB -1.312 30.442 31.823 -0.115 0.000 0.914 381 V HN 0.830 nan 8.190 nan 0.000 0.487 382 N N 2.390 121.071 118.700 -0.031 0.000 2.721 382 N HA -0.218 4.525 4.740 0.004 0.000 0.249 382 N C 0.158 175.655 175.510 -0.023 0.000 1.072 382 N CA 0.957 53.999 53.050 -0.012 0.000 0.710 382 N CB -1.343 37.162 38.487 0.030 0.000 0.993 382 N HN 0.932 nan 8.380 nan 0.000 0.547 383 N N 0.887 119.556 118.700 -0.052 0.000 2.292 383 N HA -0.080 4.663 4.740 0.004 0.000 0.258 383 N C -0.222 175.221 175.510 -0.112 0.000 1.261 383 N CA 0.793 53.795 53.050 -0.079 0.000 0.845 383 N CB 0.458 38.879 38.487 -0.111 0.000 1.064 383 N HN 0.202 nan 8.380 nan 0.000 0.471 384 Q N 1.249 120.986 119.800 -0.104 0.000 2.252 384 Q HA 0.373 4.715 4.340 0.004 0.000 0.256 384 Q C -0.529 175.427 176.000 -0.074 0.000 1.020 384 Q CA -0.601 55.124 55.803 -0.130 0.000 0.913 384 Q CB 1.545 30.240 28.738 -0.072 0.000 1.286 384 Q HN 0.894 nan 8.270 nan 0.000 0.480 385 H N -3.331 115.759 119.070 0.033 0.000 2.946 385 H HA 0.626 5.184 4.556 0.003 0.000 0.365 385 H C -0.966 174.426 175.328 0.107 0.000 1.197 385 H CA -1.135 54.959 56.048 0.077 0.000 1.131 385 H CB 0.151 30.028 29.762 0.192 0.000 1.849 385 H HN 0.196 nan 8.280 nan 0.000 0.555 386 V N 1.408 121.508 119.914 0.311 0.000 2.498 386 V HA 0.466 4.588 4.120 0.004 0.000 0.279 386 V C 0.570 176.740 176.094 0.128 0.000 1.048 386 V CA 0.405 62.831 62.300 0.210 0.000 0.967 386 V CB 0.774 32.686 31.823 0.148 0.000 0.988 386 V HN 1.044 nan 8.190 nan 0.000 0.473 387 T N 2.125 116.735 114.554 0.093 0.000 2.654 387 T HA 0.442 4.794 4.350 0.004 0.000 0.289 387 T C 0.209 174.884 174.700 -0.043 0.000 1.062 387 T CA 0.322 62.415 62.100 -0.011 0.000 1.041 387 T CB 1.691 70.615 68.868 0.093 0.000 1.417 387 T HN 1.006 nan 8.240 nan 0.000 0.510 388 S N 0.278 115.939 115.700 -0.065 0.000 3.631 388 S HA -0.136 4.336 4.470 0.004 0.000 0.366 388 S C -0.123 174.404 174.600 -0.121 0.000 0.993 388 S CA 0.380 58.539 58.200 -0.069 0.000 1.167 388 S CB -1.857 61.336 63.200 -0.013 0.000 0.909 388 S HN 0.472 nan 8.310 nan 0.000 0.478 389 I N 2.140 122.568 120.570 -0.236 0.000 2.304 389 I HA 0.342 4.514 4.170 0.004 0.000 0.291 389 I C 0.415 176.367 176.117 -0.276 0.000 1.018 389 I CA -0.403 60.695 61.300 -0.337 0.000 1.260 389 I CB 1.343 38.876 38.000 -0.778 0.000 1.390 389 I HN 0.337 nan 8.210 nan 0.000 0.475 390 Q N 4.001 123.725 119.800 -0.127 0.000 2.378 390 Q HA 0.332 4.674 4.340 0.004 0.000 0.276 390 Q C -0.353 175.644 176.000 -0.004 0.000 1.083 390 Q CA -0.978 54.779 55.803 -0.078 0.000 0.856 390 Q CB 1.026 29.740 28.738 -0.039 0.000 1.383 390 Q HN 0.469 nan 8.270 nan 0.000 0.458 391 N N 0.064 118.771 118.700 0.011 0.000 2.359 391 N HA 0.219 4.961 4.740 0.004 0.000 0.261 391 N C 0.604 176.166 175.510 0.086 0.000 1.267 391 N CA 1.871 54.956 53.050 0.059 0.000 0.864 391 N CB 0.141 38.653 38.487 0.042 0.000 1.063 391 N HN 0.744 nan 8.380 nan 0.000 0.474 392 G N 2.072 110.951 108.800 0.131 0.000 2.194 392 G HA2 -0.241 3.721 3.960 0.004 0.000 0.236 392 G HA3 -0.241 3.721 3.960 0.004 0.000 0.236 392 G C -0.150 174.890 174.900 0.234 0.000 0.987 392 G CA 0.112 45.302 45.100 0.151 0.000 0.635 392 G HN 0.652 nan 8.290 nan 0.000 0.520 393 D N 0.374 120.903 120.400 0.214 0.000 2.360 393 D HA 0.597 5.239 4.640 0.004 0.000 0.242 393 D C 0.877 177.317 176.300 0.233 0.000 1.184 393 D CA 0.949 55.059 54.000 0.184 0.000 0.930 393 D CB 0.416 41.329 40.800 0.188 0.000 1.161 393 D HN 0.645 nan 8.370 nan 0.000 0.447 394 W N -0.002 121.307 121.300 0.016 0.000 3.153 394 W HA 0.503 5.165 4.660 0.004 0.000 0.316 394 W C -1.595 174.877 176.519 -0.079 0.000 1.255 394 W CA -0.946 56.241 57.345 -0.264 0.000 1.192 394 W CB -0.033 29.365 29.460 -0.104 0.000 1.400 394 W HN 0.308 nan 8.180 nan 0.000 0.568 395 I N 0.307 120.983 120.570 0.177 0.000 3.002 395 I HA 1.003 5.175 4.170 0.004 0.000 0.310 395 I C -0.863 175.448 176.117 0.323 0.000 1.087 395 I CA -1.195 60.184 61.300 0.132 0.000 1.017 395 I CB 2.004 39.986 38.000 -0.030 0.000 1.226 395 I HN 0.663 nan 8.210 nan 0.000 0.443 396 A N 2.915 125.862 122.820 0.213 0.000 2.549 396 A HA 0.757 5.079 4.320 0.004 0.000 0.297 396 A C -0.835 176.806 177.584 0.096 0.000 1.061 396 A CA -0.565 51.397 52.037 -0.125 0.000 0.690 396 A CB 1.728 20.220 19.000 -0.847 0.000 1.287 396 A HN 1.098 nan 8.150 nan 0.000 0.402 397 V N -0.231 119.711 119.914 0.047 0.000 2.732 397 V HA 0.936 5.058 4.120 0.004 0.000 0.310 397 V C 0.546 176.695 176.094 0.091 0.000 1.053 397 V CA -0.163 62.194 62.300 0.095 0.000 0.957 397 V CB 1.351 33.327 31.823 0.256 0.000 1.018 397 V HN 1.482 nan 8.190 nan 0.000 0.452 398 G N 1.319 110.128 108.800 0.015 0.000 2.372 398 G HA2 0.442 4.404 3.960 0.004 0.000 0.283 398 G HA3 0.442 4.404 3.960 0.004 0.000 0.283 398 G C -0.013 174.937 174.900 0.083 0.000 1.177 398 G CA -0.536 44.657 45.100 0.156 0.000 0.842 398 G HN 1.094 nan 8.290 nan 0.000 0.503 399 N N -1.024 117.742 118.700 0.110 0.000 2.686 399 N HA -0.163 4.580 4.740 0.004 0.000 0.261 399 N C 0.478 175.971 175.510 -0.028 0.000 1.001 399 N CA 0.803 53.877 53.050 0.040 0.000 0.764 399 N CB -1.064 37.442 38.487 0.033 0.000 0.898 399 N HN 1.028 nan 8.380 nan 0.000 0.544 400 A N 0.186 122.965 122.820 -0.068 0.000 2.450 400 A HA 0.298 4.620 4.320 0.004 0.000 0.255 400 A C 0.362 177.748 177.584 -0.329 0.000 1.096 400 A CA -0.168 51.719 52.037 -0.250 0.000 0.778 400 A CB 0.444 19.190 19.000 -0.423 0.000 1.031 400 A HN 0.255 nan 8.150 nan 0.000 0.494 401 D N 2.233 122.445 120.400 -0.314 0.000 2.412 401 D HA 0.412 5.055 4.640 0.004 0.000 0.224 401 D C -0.081 176.094 176.300 -0.208 0.000 1.093 401 D CA -0.391 53.506 54.000 -0.171 0.000 0.850 401 D CB 0.047 40.817 40.800 -0.050 0.000 1.046 401 D HN 0.329 nan 8.370 nan 0.000 0.507 402 F N 2.345 122.313 119.950 0.029 0.000 2.661 402 F HA 0.248 4.775 4.527 0.001 0.000 0.298 402 F C 1.916 177.884 175.800 0.279 0.000 1.137 402 F CA 0.856 58.918 58.000 0.104 0.000 1.454 402 F CB -0.250 38.772 39.000 0.036 0.000 1.103 402 F HN 0.587 nan 8.300 nan 0.000 0.577 403 G N 0.174 109.162 108.800 0.313 0.000 2.828 403 G HA2 -0.063 3.899 3.960 0.004 0.000 0.463 403 G HA3 -0.063 3.899 3.960 0.004 0.000 0.463 403 G C 0.839 175.851 174.900 0.187 0.000 1.394 403 G CA -0.434 44.797 45.100 0.219 0.000 0.862 403 G HN 0.458 nan 8.290 nan 0.000 0.540 404 A N -0.549 122.344 122.820 0.121 0.000 1.930 404 A HA 0.298 4.620 4.320 0.004 0.000 0.217 404 A C 2.802 180.440 177.584 0.089 0.000 1.175 404 A CA 2.603 54.695 52.037 0.092 0.000 0.627 404 A CB -0.827 18.209 19.000 0.061 0.000 0.815 404 A HN 2.322 nan 8.150 nan 0.000 0.443 405 G N -1.318 107.534 108.800 0.088 0.000 2.430 405 G HA2 0.386 4.348 3.960 0.004 0.000 0.216 405 G HA3 0.386 4.348 3.960 0.004 0.000 0.216 405 G C 1.120 176.080 174.900 0.099 0.000 1.146 405 G CA 0.724 45.867 45.100 0.070 0.000 0.793 405 G HN 1.705 nan 8.290 nan 0.000 0.537 406 G N -0.921 107.986 108.800 0.177 0.000 2.741 406 G HA2 0.358 4.320 3.960 0.004 0.000 0.222 406 G HA3 0.358 4.320 3.960 0.004 0.000 0.222 406 G C -0.002 175.072 174.900 0.291 0.000 1.364 406 G CA -0.194 45.045 45.100 0.232 0.000 0.866 406 G HN 1.390 nan 8.290 nan 0.000 0.555 407 A N -0.564 122.408 122.820 0.253 0.000 2.306 407 A HA 0.825 5.147 4.320 0.004 0.000 0.314 407 A C 1.191 178.929 177.584 0.257 0.000 1.164 407 A CA 0.776 53.053 52.037 0.400 0.000 0.822 407 A CB 1.387 20.662 19.000 0.458 0.000 1.130 407 A HN 1.346 nan 8.150 nan 0.000 0.496 408 R N 0.782 121.458 120.500 0.294 0.000 2.123 408 R HA 0.146 4.488 4.340 0.004 0.000 0.209 408 R C 0.480 176.916 176.300 0.226 0.000 1.078 408 R CA 1.387 57.608 56.100 0.201 0.000 1.028 408 R CB 0.104 30.497 30.300 0.155 0.000 0.939 408 R HN 0.862 nan 8.270 nan 0.000 0.463 409 S N -1.475 114.416 115.700 0.318 0.000 2.638 409 S HA 0.488 4.960 4.470 0.004 0.000 0.274 409 S C -1.361 173.461 174.600 0.369 0.000 1.157 409 S CA -0.957 57.413 58.200 0.283 0.000 0.826 409 S CB 1.635 64.945 63.200 0.182 0.000 1.139 409 S HN 0.143 nan 8.310 nan 0.000 0.474 410 F N 0.979 120.943 119.950 0.025 0.000 2.547 410 F HA 0.713 5.242 4.527 0.003 0.000 0.316 410 F C -0.938 174.799 175.800 -0.105 0.000 1.121 410 F CA -0.529 57.335 58.000 -0.226 0.000 0.911 410 F CB 1.709 40.487 39.000 -0.370 0.000 1.179 410 F HN 0.747 nan 8.300 nan 0.000 0.443 411 K N 4.732 124.705 120.400 -0.711 0.000 2.259 411 K HA 0.881 5.204 4.320 0.004 0.000 0.252 411 K C -1.388 174.741 176.600 -0.785 0.000 0.936 411 K CA -1.131 54.843 56.287 -0.522 0.000 0.810 411 K CB 2.104 34.508 32.500 -0.161 0.000 1.143 411 K HN 0.667 nan 8.250 nan 0.000 0.427 412 A N 2.268 124.765 122.820 -0.537 0.000 2.398 412 A HA 0.395 4.717 4.320 0.004 0.000 0.301 412 A C -1.300 176.102 177.584 -0.303 0.000 1.041 412 A CA -0.773 51.048 52.037 -0.361 0.000 0.711 412 A CB 1.151 19.944 19.000 -0.345 0.000 1.240 412 A HN 0.685 nan 8.150 nan 0.000 0.420 413 N N 1.012 119.458 118.700 -0.423 0.000 2.414 413 N HA 0.534 5.276 4.740 0.004 0.000 0.256 413 N C -0.583 175.039 175.510 0.187 0.000 1.029 413 N CA 0.105 52.976 53.050 -0.299 0.000 0.948 413 N CB 1.112 39.103 38.487 -0.827 0.000 1.102 413 N HN 0.867 nan 8.380 nan 0.000 0.496 414 V N 0.243 120.276 119.914 0.199 0.000 3.078 414 V HA 1.003 5.125 4.120 0.004 0.000 0.311 414 V C -0.791 175.140 176.094 -0.272 0.000 1.138 414 V CA -1.294 61.036 62.300 0.050 0.000 1.007 414 V CB 1.349 33.019 31.823 -0.255 0.000 1.045 414 V HN 0.650 nan 8.190 nan 0.000 0.432 415 A N 1.526 123.941 122.820 -0.675 0.000 2.398 415 A HA 0.932 5.254 4.320 0.004 0.000 0.301 415 A C -0.517 176.801 177.584 -0.443 0.000 1.041 415 A CA -0.220 51.303 52.037 -0.857 0.000 0.711 415 A CB 1.761 19.706 19.000 -1.759 0.000 1.240 415 A HN 1.658 nan 8.150 nan 0.000 0.420 416 S N 0.763 116.287 115.700 -0.293 0.000 2.543 416 S HA 0.511 4.983 4.470 0.004 0.000 0.271 416 S C 0.711 175.238 174.600 -0.121 0.000 1.148 416 S CA 0.158 58.272 58.200 -0.143 0.000 0.914 416 S CB 1.530 64.692 63.200 -0.062 0.000 1.096 416 S HN 0.693 nan 8.310 nan 0.000 0.471 417 T N 4.200 118.701 114.554 -0.089 0.000 2.809 417 T HA 0.114 4.466 4.350 0.004 0.000 0.260 417 T C 1.366 176.037 174.700 -0.048 0.000 1.039 417 T CA 1.169 63.228 62.100 -0.069 0.000 1.141 417 T CB -0.154 68.678 68.868 -0.060 0.000 0.869 417 T HN 0.572 nan 8.240 nan 0.000 0.437 418 L N -0.491 120.713 121.223 -0.031 0.000 2.672 418 L HA 0.442 4.784 4.340 0.004 0.000 0.236 418 L C 1.185 178.052 176.870 -0.005 0.000 1.092 418 L CA -0.166 54.663 54.840 -0.018 0.000 0.887 418 L CB 0.137 42.188 42.059 -0.012 0.000 1.168 418 L HN 0.460 nan 8.230 nan 0.000 0.502 419 G N -0.329 108.478 108.800 0.011 0.000 2.710 419 G HA2 0.244 4.206 3.960 0.004 0.000 0.668 419 G HA3 0.244 4.206 3.960 0.004 0.000 0.668 419 G C -0.296 174.667 174.900 0.105 0.000 1.320 419 G CA -0.509 44.602 45.100 0.019 0.000 0.860 419 G HN 0.563 nan 8.290 nan 0.000 0.538 420 G N -1.125 107.725 108.800 0.084 0.000 2.356 420 G HA2 0.693 4.655 3.960 0.004 0.000 0.281 420 G HA3 0.693 4.655 3.960 0.004 0.000 0.281 420 G C -1.416 173.529 174.900 0.075 0.000 1.246 420 G CA 0.091 45.303 45.100 0.186 0.000 0.889 420 G HN 0.934 nan 8.290 nan 0.000 0.486 421 K N -0.507 120.001 120.400 0.180 0.000 2.469 421 K HA 0.641 4.963 4.320 0.004 0.000 0.254 421 K C -1.220 175.489 176.600 0.181 0.000 0.939 421 K CA -0.722 55.609 56.287 0.074 0.000 0.812 421 K CB 2.847 35.390 32.500 0.073 0.000 1.301 421 K HN 0.358 nan 8.250 nan 0.000 0.433 422 I N 2.320 122.925 120.570 0.059 0.000 2.354 422 I HA 0.190 4.362 4.170 0.004 0.000 0.286 422 I C -0.272 175.887 176.117 0.070 0.000 1.007 422 I CA -0.544 60.853 61.300 0.163 0.000 1.167 422 I CB 1.452 39.494 38.000 0.070 0.000 1.320 422 I HN 0.414 nan 8.210 nan 0.000 0.458 423 E N 5.292 125.525 120.200 0.056 0.000 2.289 423 E HA 0.331 4.683 4.350 0.004 0.000 0.278 423 E C -0.891 175.671 176.600 -0.063 0.000 1.032 423 E CA -0.521 55.867 56.400 -0.020 0.000 0.854 423 E CB 2.064 31.744 29.700 -0.033 0.000 1.046 423 E HN 0.285 nan 8.360 nan 0.000 0.409 424 V N 4.857 124.691 119.914 -0.134 0.000 2.328 424 V HA 0.333 4.455 4.120 0.004 0.000 0.278 424 V C 0.039 176.016 176.094 -0.195 0.000 1.021 424 V CA -0.499 61.673 62.300 -0.213 0.000 0.838 424 V CB 0.644 32.277 31.823 -0.317 0.000 0.999 424 V HN 0.586 nan 8.190 nan 0.000 0.447 425 R N 4.365 124.738 120.500 -0.212 0.000 2.670 425 R HA 0.705 5.047 4.340 0.004 0.000 0.289 425 R C -1.172 175.036 176.300 -0.153 0.000 0.965 425 R CA -0.873 55.115 56.100 -0.186 0.000 0.899 425 R CB 2.377 32.557 30.300 -0.200 0.000 1.173 425 R HN 0.544 nan 8.270 nan 0.000 0.456 426 L N 2.679 123.794 121.223 -0.180 0.000 2.357 426 L HA 0.207 4.550 4.340 0.004 0.000 0.273 426 L C 0.330 177.162 176.870 -0.064 0.000 1.080 426 L CA -0.119 54.639 54.840 -0.136 0.000 0.803 426 L CB 0.815 42.660 42.059 -0.356 0.000 1.174 426 L HN 0.796 nan 8.230 nan 0.000 0.443 427 D N -0.335 120.128 120.400 0.105 0.000 2.593 427 D HA -0.204 4.438 4.640 0.004 0.000 0.176 427 D C 0.292 176.546 176.300 -0.077 0.000 1.580 427 D CA 1.925 55.978 54.000 0.089 0.000 1.831 427 D CB -0.665 40.151 40.800 0.027 0.000 1.384 427 D HN 0.720 nan 8.370 nan 0.000 0.479 428 S N -1.386 114.000 115.700 -0.524 0.000 2.596 428 S HA 0.742 5.215 4.470 0.004 0.000 0.270 428 S C 0.663 174.263 174.600 -1.666 0.000 1.155 428 S CA -0.054 57.429 58.200 -1.195 0.000 0.827 428 S CB 1.919 64.744 63.200 -0.626 0.000 1.130 428 S HN 0.359 nan 8.310 nan 0.000 0.467 429 A N 0.561 122.289 122.820 -1.821 0.000 2.121 429 A HA 0.046 4.369 4.320 0.004 0.000 0.218 429 A C 1.194 178.384 177.584 -0.656 0.000 1.154 429 A CA 1.675 52.957 52.037 -1.258 0.000 0.679 429 A CB -0.859 17.412 19.000 -1.215 0.000 0.795 429 A HN 0.917 nan 8.150 nan 0.000 0.458 430 D N -1.296 118.771 120.400 -0.555 0.000 2.501 430 D HA 0.289 4.932 4.640 0.004 0.000 0.226 430 D C 0.753 176.873 176.300 -0.300 0.000 1.198 430 D CA 0.368 54.160 54.000 -0.346 0.000 0.830 430 D CB -0.632 40.005 40.800 -0.272 0.000 1.014 430 D HN 0.198 nan 8.370 nan 0.000 0.496 431 G N 0.186 108.772 108.800 -0.356 0.000 2.535 431 G HA2 0.172 4.134 3.960 0.004 0.000 0.282 431 G HA3 0.172 4.134 3.960 0.004 0.000 0.282 431 G C -0.321 174.452 174.900 -0.212 0.000 1.350 431 G CA -0.975 43.963 45.100 -0.271 0.000 1.039 431 G HN 0.220 nan 8.290 nan 0.000 0.509 432 K N -0.362 119.926 120.400 -0.186 0.000 2.466 432 K HA 0.023 4.345 4.320 0.004 0.000 0.278 432 K C -0.354 176.142 176.600 -0.174 0.000 1.048 432 K CA -0.348 55.838 56.287 -0.169 0.000 1.088 432 K CB 0.047 32.440 32.500 -0.178 0.000 0.884 432 K HN 0.212 nan 8.250 nan 0.000 0.478 433 L N 7.074 128.210 121.223 -0.144 0.000 2.325 433 L HA 0.047 4.390 4.340 0.004 0.000 0.284 433 L C 0.639 177.434 176.870 -0.125 0.000 1.089 433 L CA 0.208 54.970 54.840 -0.130 0.000 0.836 433 L CB 1.179 43.177 42.059 -0.102 0.000 1.184 433 L HN 0.608 nan 8.230 nan 0.000 0.444 434 V N 2.098 121.928 119.914 -0.140 0.000 3.590 434 V HA 0.691 4.814 4.120 0.004 0.000 0.265 434 V C 0.725 176.777 176.094 -0.070 0.000 1.239 434 V CA 0.613 62.836 62.300 -0.128 0.000 1.117 434 V CB -0.518 31.185 31.823 -0.200 0.000 0.818 434 V HN 0.833 nan 8.190 nan 0.000 0.451 435 G N -0.975 107.783 108.800 -0.070 0.000 2.519 435 G HA2 0.536 4.498 3.960 0.004 0.000 0.292 435 G HA3 0.536 4.498 3.960 0.004 0.000 0.292 435 G C -1.247 173.625 174.900 -0.048 0.000 1.507 435 G CA -0.083 44.996 45.100 -0.034 0.000 0.806 435 G HN 0.069 nan 8.290 nan 0.000 0.523 436 T N 1.061 115.607 114.554 -0.014 0.000 2.890 436 T HA 0.471 4.823 4.350 0.004 0.000 0.295 436 T C -0.527 174.183 174.700 0.016 0.000 0.993 436 T CA -0.343 61.752 62.100 -0.008 0.000 0.979 436 T CB 1.453 70.314 68.868 -0.011 0.000 0.967 436 T HN 0.581 nan 8.240 nan 0.000 0.441 437 L N 4.337 125.578 121.223 0.030 0.000 2.265 437 L HA 0.449 4.792 4.340 0.004 0.000 0.288 437 L C -0.123 176.714 176.870 -0.054 0.000 1.058 437 L CA -0.563 54.292 54.840 0.024 0.000 0.809 437 L CB 0.443 42.560 42.059 0.096 0.000 1.179 437 L HN 0.524 nan 8.230 nan 0.000 0.429 438 N N 4.764 123.428 118.700 -0.061 0.000 2.406 438 N HA 0.130 4.873 4.740 0.004 0.000 0.251 438 N C -0.864 174.557 175.510 -0.149 0.000 1.069 438 N CA -0.283 52.717 53.050 -0.085 0.000 0.947 438 N CB 1.748 40.205 38.487 -0.050 0.000 1.111 438 N HN 0.323 nan 8.380 nan 0.000 0.497 439 V N 5.656 125.431 119.914 -0.231 0.000 2.405 439 V HA 0.175 4.297 4.120 0.004 0.000 0.264 439 V C -1.541 174.443 176.094 -0.183 0.000 1.048 439 V CA -1.151 60.956 62.300 -0.320 0.000 0.966 439 V CB 0.700 32.127 31.823 -0.660 0.000 1.015 439 V HN 0.518 nan 8.190 nan 0.000 0.477 440 P HA 0.246 nan 4.420 nan 0.000 0.278 440 P C -0.238 177.005 177.300 -0.096 0.000 1.266 440 P CA -0.530 62.512 63.100 -0.097 0.000 0.807 440 P CB 0.771 32.422 31.700 -0.082 0.000 1.094 441 S N 0.097 115.756 115.700 -0.069 0.000 2.525 441 S HA 0.130 4.602 4.470 0.004 0.000 0.285 441 S C 1.354 175.905 174.600 -0.082 0.000 1.283 441 S CA 0.166 58.324 58.200 -0.070 0.000 1.072 441 S CB -0.414 62.755 63.200 -0.051 0.000 0.867 441 S HN 0.634 nan 8.310 nan 0.000 0.492 442 T N -0.491 113.999 114.554 -0.106 0.000 3.023 442 T HA 0.445 4.797 4.350 0.004 0.000 0.253 442 T C 1.316 175.960 174.700 -0.092 0.000 1.038 442 T CA 0.365 62.399 62.100 -0.110 0.000 0.962 442 T CB 0.276 69.044 68.868 -0.168 0.000 1.018 442 T HN 1.007 nan 8.240 nan 0.000 0.521 443 G N -0.137 108.612 108.800 -0.086 0.000 2.231 443 G HA2 0.330 4.292 3.960 0.004 0.000 0.206 443 G HA3 0.330 4.292 3.960 0.004 0.000 0.206 443 G C 0.527 175.380 174.900 -0.078 0.000 0.996 443 G CA -0.281 44.779 45.100 -0.067 0.000 0.645 443 G HN 1.671 nan 8.290 nan 0.000 0.498 444 G N -1.785 106.945 108.800 -0.118 0.000 2.352 444 G HA2 0.551 4.513 3.960 0.004 0.000 0.302 444 G HA3 0.551 4.513 3.960 0.004 0.000 0.302 444 G C 0.548 175.323 174.900 -0.208 0.000 1.370 444 G CA 1.006 46.031 45.100 -0.125 0.000 0.918 444 G HN 1.655 nan 8.290 nan 0.000 0.610 445 A N -0.973 121.738 122.820 -0.181 0.000 2.216 445 A HA 0.233 4.555 4.320 0.004 0.000 0.214 445 A C 1.584 178.989 177.584 -0.298 0.000 1.160 445 A CA 1.988 53.876 52.037 -0.248 0.000 0.725 445 A CB -0.197 18.721 19.000 -0.135 0.000 0.784 445 A HN 0.569 nan 8.150 nan 0.000 0.472 446 Q N -0.725 118.955 119.800 -0.201 0.000 2.139 446 Q HA 0.125 4.467 4.340 0.004 0.000 0.219 446 Q C -0.833 175.122 176.000 -0.075 0.000 0.805 446 Q CA -0.020 55.767 55.803 -0.027 0.000 1.024 446 Q CB 0.959 29.767 28.738 0.118 0.000 1.163 446 Q HN 0.371 nan 8.270 nan 0.000 0.485 447 T N 0.664 115.026 114.554 -0.320 0.000 2.772 447 T HA 0.338 4.690 4.350 0.004 0.000 0.288 447 T C -1.147 173.358 174.700 -0.324 0.000 0.994 447 T CA -0.424 61.576 62.100 -0.167 0.000 0.951 447 T CB 0.437 69.248 68.868 -0.095 0.000 0.933 447 T HN 0.115 nan 8.240 nan 0.000 0.447 448 W N 2.646 123.948 121.300 0.004 0.000 2.520 448 W HA 0.635 5.297 4.660 0.003 0.000 0.323 448 W C 0.573 177.078 176.519 -0.022 0.000 1.062 448 W CA -0.974 56.367 57.345 -0.007 0.000 1.215 448 W CB 1.100 30.570 29.460 0.017 0.000 1.340 448 W HN 0.246 nan 8.180 nan 0.000 0.516 449 R N 1.735 122.324 120.500 0.148 0.000 2.574 449 R HA 0.204 4.546 4.340 0.004 0.000 0.288 449 R C -0.923 175.394 176.300 0.028 0.000 1.004 449 R CA -1.101 55.036 56.100 0.062 0.000 0.895 449 R CB 2.575 32.866 30.300 -0.014 0.000 1.191 449 R HN 0.507 nan 8.270 nan 0.000 0.444 450 E N 4.382 124.591 120.200 0.014 0.000 2.152 450 E HA 0.180 4.533 4.350 0.004 0.000 0.285 450 E C -0.477 176.086 176.600 -0.061 0.000 1.043 450 E CA -0.450 55.920 56.400 -0.050 0.000 0.839 450 E CB 0.671 30.375 29.700 0.007 0.000 1.069 450 E HN 0.291 nan 8.360 nan 0.000 0.399 451 I N 3.638 124.140 120.570 -0.114 0.000 2.460 451 I HA 0.307 4.479 4.170 0.004 0.000 0.298 451 I C 0.160 176.210 176.117 -0.111 0.000 0.989 451 I CA -0.491 60.747 61.300 -0.104 0.000 1.173 451 I CB 1.441 39.362 38.000 -0.130 0.000 1.338 451 I HN 0.651 nan 8.210 nan 0.000 0.456 452 E N 2.839 123.004 120.200 -0.059 0.000 2.212 452 E HA 0.596 4.948 4.350 0.004 0.000 0.268 452 E C -1.295 175.311 176.600 0.010 0.000 0.902 452 E CA -0.323 56.058 56.400 -0.032 0.000 0.779 452 E CB 2.197 31.896 29.700 -0.000 0.000 1.172 452 E HN 0.649 nan 8.360 nan 0.000 0.409 453 T N 1.376 115.964 114.554 0.058 0.000 2.864 453 T HA 0.645 4.997 4.350 0.004 0.000 0.299 453 T C -1.143 173.626 174.700 0.115 0.000 1.166 453 T CA -0.199 61.949 62.100 0.081 0.000 1.007 453 T CB 1.297 70.220 68.868 0.091 0.000 1.219 453 T HN 0.583 nan 8.240 nan 0.000 0.506 454 A N 1.792 124.666 122.820 0.089 0.000 2.445 454 A HA 0.635 4.957 4.320 0.004 0.000 0.242 454 A C -0.440 177.211 177.584 0.112 0.000 1.075 454 A CA -0.196 51.898 52.037 0.094 0.000 0.777 454 A CB 0.126 19.161 19.000 0.059 0.000 1.013 454 A HN 0.714 nan 8.150 nan 0.000 0.493 455 V N 1.487 121.480 119.914 0.131 0.000 2.789 455 V HA 0.708 4.831 4.120 0.004 0.000 0.311 455 V C -0.153 175.974 176.094 0.056 0.000 1.073 455 V CA 0.016 62.385 62.300 0.116 0.000 0.921 455 V CB 2.111 34.085 31.823 0.252 0.000 1.009 455 V HN 1.307 nan 8.190 nan 0.000 0.426 456 S N 1.382 117.078 115.700 -0.007 0.000 2.536 456 S HA 0.763 5.235 4.470 0.004 0.000 0.271 456 S C 0.308 174.853 174.600 -0.091 0.000 1.134 456 S CA 0.032 58.213 58.200 -0.033 0.000 0.897 456 S CB 1.810 64.999 63.200 -0.018 0.000 1.094 456 S HN 2.345 nan 8.310 nan 0.000 0.473 457 G N 0.409 109.148 108.800 -0.103 0.000 2.132 457 G HA2 0.124 4.086 3.960 0.004 0.000 0.234 457 G HA3 0.124 4.086 3.960 0.004 0.000 0.234 457 G C 0.242 174.995 174.900 -0.244 0.000 0.989 457 G CA -0.133 44.884 45.100 -0.138 0.000 0.676 457 G HN 1.838 nan 8.290 nan 0.000 0.522 458 A N 0.960 123.582 122.820 -0.331 0.000 2.690 458 A HA 0.784 5.106 4.320 0.004 0.000 0.342 458 A C 0.547 177.862 177.584 -0.447 0.000 1.410 458 A CA 0.783 52.414 52.037 -0.676 0.000 0.958 458 A CB 0.173 18.454 19.000 -1.198 0.000 1.153 458 A HN 1.601 nan 8.150 nan 0.000 0.497 459 T N -1.099 113.381 114.554 -0.123 0.000 2.906 459 T HA 0.843 5.195 4.350 0.004 0.000 0.295 459 T C 0.420 175.316 174.700 0.326 0.000 1.061 459 T CA -0.044 62.138 62.100 0.137 0.000 1.000 459 T CB 1.436 70.361 68.868 0.096 0.000 1.103 459 T HN 2.305 nan 8.240 nan 0.000 0.486 460 G N 0.414 109.394 108.800 0.299 0.000 2.693 460 G HA2 -0.047 3.915 3.960 0.004 0.000 0.226 460 G HA3 -0.047 3.915 3.960 0.004 0.000 0.226 460 G C -0.660 174.362 174.900 0.202 0.000 1.354 460 G CA -0.459 44.756 45.100 0.193 0.000 0.873 460 G HN 1.481 nan 8.290 nan 0.000 0.562 461 V N 2.659 122.535 119.914 -0.063 0.000 2.432 461 V HA 0.649 4.771 4.120 0.004 0.000 0.275 461 V C 0.254 176.137 176.094 -0.352 0.000 1.043 461 V CA -0.161 62.076 62.300 -0.105 0.000 0.925 461 V CB 1.146 32.915 31.823 -0.090 0.000 0.985 461 V HN 0.811 nan 8.190 nan 0.000 0.466 462 H N 2.741 121.867 119.070 0.092 0.000 2.996 462 H HA 0.385 4.949 4.556 0.012 0.000 0.368 462 H C -0.677 174.707 175.328 0.094 0.000 1.185 462 H CA -1.008 55.103 56.048 0.105 0.000 1.160 462 H CB 2.114 31.965 29.762 0.147 0.000 1.820 462 H HN 0.541 nan 8.280 nan 0.000 0.547 463 K N 1.307 121.854 120.400 0.245 0.000 2.414 463 K HA 0.273 4.595 4.320 0.004 0.000 0.272 463 K C -0.399 176.317 176.600 0.192 0.000 0.993 463 K CA -0.062 56.364 56.287 0.231 0.000 0.964 463 K CB 0.674 33.364 32.500 0.317 0.000 0.925 463 K HN 0.115 nan 8.250 nan 0.000 0.487 464 V N 4.114 124.033 119.914 0.008 0.000 2.531 464 V HA 0.355 4.478 4.120 0.004 0.000 0.301 464 V C -0.919 174.890 176.094 -0.474 0.000 1.034 464 V CA -0.808 61.389 62.300 -0.171 0.000 0.865 464 V CB 0.955 32.617 31.823 -0.269 0.000 0.995 464 V HN 0.532 nan 8.190 nan 0.000 0.424 465 F N 4.150 123.800 119.950 -0.501 0.000 2.436 465 F HA 0.671 5.199 4.527 0.001 0.000 0.340 465 F C -0.387 175.026 175.800 -0.644 0.000 1.113 465 F CA -0.497 57.240 58.000 -0.438 0.000 1.022 465 F CB 1.670 40.468 39.000 -0.336 0.000 1.128 465 F HN 0.331 nan 8.300 nan 0.000 0.466 466 F N 3.130 123.086 119.950 0.011 0.000 2.347 466 F HA 0.508 5.038 4.527 0.004 0.000 0.366 466 F C -0.427 175.093 175.800 -0.467 0.000 1.107 466 F CA -1.130 56.777 58.000 -0.155 0.000 1.058 466 F CB 1.072 40.092 39.000 0.034 0.000 1.236 466 F HN -0.019 nan 8.300 nan 0.000 0.456 467 V N 4.510 124.301 119.914 -0.205 0.000 2.398 467 V HA 0.391 4.514 4.120 0.004 0.000 0.286 467 V C -0.455 175.561 176.094 -0.131 0.000 1.026 467 V CA -0.817 61.350 62.300 -0.221 0.000 0.868 467 V CB 1.012 32.797 31.823 -0.064 0.000 0.982 467 V HN 0.339 nan 8.190 nan 0.000 0.443 468 F N 2.895 122.985 119.950 0.233 0.000 2.420 468 F HA 0.716 5.246 4.527 0.004 0.000 0.342 468 F C 0.667 176.545 175.800 0.130 0.000 1.113 468 F CA -0.718 57.406 58.000 0.207 0.000 1.059 468 F CB 1.779 40.832 39.000 0.090 0.000 1.128 468 F HN 0.573 nan 8.300 nan 0.000 0.475 469 T N -0.352 114.403 114.554 0.335 0.000 2.896 469 T HA 0.974 5.326 4.350 0.004 0.000 0.297 469 T C -0.427 174.381 174.700 0.181 0.000 1.108 469 T CA -0.708 61.507 62.100 0.191 0.000 1.004 469 T CB 2.051 70.994 68.868 0.124 0.000 1.159 469 T HN 1.163 nan 8.240 nan 0.000 0.499 470 G N -0.173 108.691 108.800 0.106 0.000 2.325 470 G HA2 0.427 4.390 3.960 0.004 0.000 0.297 470 G HA3 0.427 4.390 3.960 0.004 0.000 0.297 470 G C 0.137 175.063 174.900 0.043 0.000 1.448 470 G CA 0.072 45.222 45.100 0.082 0.000 0.838 470 G HN 1.257 nan 8.290 nan 0.000 0.579 471 T N -1.931 112.641 114.554 0.030 0.000 3.014 471 T HA 0.448 4.800 4.350 0.004 0.000 0.250 471 T C 1.424 176.127 174.700 0.006 0.000 1.060 471 T CA 1.174 63.283 62.100 0.016 0.000 1.040 471 T CB 0.380 69.256 68.868 0.012 0.000 0.971 471 T HN 1.324 nan 8.240 nan 0.000 0.497 472 G N 1.754 110.555 108.800 0.003 0.000 2.651 472 G HA2 0.476 4.438 3.960 0.004 0.000 0.260 472 G HA3 0.476 4.438 3.960 0.004 0.000 0.260 472 G C -0.256 174.633 174.900 -0.019 0.000 1.216 472 G CA 0.107 45.202 45.100 -0.009 0.000 0.913 472 G HN 0.638 nan 8.290 nan 0.000 0.535 473 T N -3.024 111.516 114.554 -0.023 0.000 2.909 473 T HA 0.636 4.988 4.350 0.004 0.000 0.299 473 T C 0.782 175.461 174.700 -0.034 0.000 1.073 473 T CA 0.176 62.258 62.100 -0.031 0.000 0.999 473 T CB 1.825 70.680 68.868 -0.022 0.000 1.098 473 T HN 0.789 nan 8.240 nan 0.000 0.477 474 G N 1.565 110.340 108.800 -0.042 0.000 2.726 474 G HA2 0.152 4.114 3.960 0.004 0.000 0.221 474 G HA3 0.152 4.114 3.960 0.004 0.000 0.221 474 G C 0.434 175.285 174.900 -0.082 0.000 1.327 474 G CA -0.306 44.763 45.100 -0.051 0.000 0.884 474 G HN 0.799 nan 8.290 nan 0.000 0.581 475 N N 1.046 119.689 118.700 -0.094 0.000 2.431 475 N HA 0.199 4.941 4.740 0.004 0.000 0.265 475 N C 1.519 176.921 175.510 -0.181 0.000 1.184 475 N CA -0.044 52.917 53.050 -0.149 0.000 0.943 475 N CB 0.771 39.181 38.487 -0.127 0.000 1.080 475 N HN 0.160 nan 8.380 nan 0.000 0.477 476 L N 2.824 123.871 121.223 -0.293 0.000 2.027 476 L HA 0.066 4.408 4.340 0.004 0.000 0.206 476 L C 0.073 176.849 176.870 -0.156 0.000 1.074 476 L CA 0.844 55.523 54.840 -0.267 0.000 0.745 476 L CB -0.433 41.371 42.059 -0.425 0.000 0.898 476 L HN 0.568 nan 8.230 nan 0.000 0.433 477 F N -3.919 115.910 119.950 -0.201 0.000 2.741 477 F HA 0.473 5.002 4.527 0.003 0.000 0.311 477 F C -1.034 174.599 175.800 -0.278 0.000 1.149 477 F CA -1.610 56.239 58.000 -0.252 0.000 0.930 477 F CB 0.493 39.339 39.000 -0.257 0.000 1.312 477 F HN -0.303 nan 8.300 nan 0.000 0.450 478 N N 0.837 119.487 118.700 -0.083 0.000 2.456 478 N HA 0.510 5.252 4.740 0.004 0.000 0.296 478 N C -1.931 173.710 175.510 0.219 0.000 1.102 478 N CA -0.267 52.696 53.050 -0.145 0.000 0.924 478 N CB 1.939 40.127 38.487 -0.499 0.000 1.186 478 N HN 0.622 nan 8.380 nan 0.000 0.492 479 F N 1.315 121.343 119.950 0.129 0.000 2.612 479 F HA 0.247 4.775 4.527 0.003 0.000 0.332 479 F C 0.416 176.378 175.800 0.271 0.000 1.167 479 F CA -1.497 56.636 58.000 0.221 0.000 0.970 479 F CB 1.209 40.298 39.000 0.148 0.000 1.234 479 F HN 0.440 nan 8.300 nan 0.000 0.453 480 D N 4.367 124.989 120.400 0.370 0.000 2.414 480 D HA 0.089 4.732 4.640 0.004 0.000 0.237 480 D C -0.580 175.696 176.300 -0.040 0.000 0.975 480 D CA 1.576 55.617 54.000 0.068 0.000 0.917 480 D CB 0.308 41.000 40.800 -0.181 0.000 1.061 480 D HN 0.418 nan 8.370 nan 0.000 0.480 481 Y N -1.970 118.269 120.300 -0.101 0.000 2.656 481 Y HA 0.532 5.084 4.550 0.003 0.000 0.334 481 Y C -1.566 174.331 175.900 -0.005 0.000 1.179 481 Y CA -1.766 56.202 58.100 -0.221 0.000 1.050 481 Y CB 0.370 38.695 38.460 -0.225 0.000 1.308 481 Y HN 0.021 nan 8.280 nan 0.000 0.456 482 W N 1.156 122.524 121.300 0.113 0.000 3.047 482 W HA 0.806 5.467 4.660 0.000 0.000 0.341 482 W C -2.159 174.417 176.519 0.095 0.000 1.225 482 W CA -1.066 56.259 57.345 -0.033 0.000 1.150 482 W CB 2.019 31.428 29.460 -0.085 0.000 1.470 482 W HN 0.979 nan 8.180 nan 0.000 0.578 483 Q N 1.310 121.298 119.800 0.313 0.000 2.364 483 Q HA 0.349 4.691 4.340 0.004 0.000 0.257 483 Q C -2.216 173.973 176.000 0.316 0.000 0.956 483 Q CA -0.440 55.572 55.803 0.348 0.000 0.924 483 Q CB 2.348 31.211 28.738 0.209 0.000 1.413 483 Q HN 0.410 nan 8.270 nan 0.000 0.418 484 F N 0.997 121.289 119.950 0.569 0.000 2.370 484 F HA 0.497 5.029 4.527 0.009 0.000 0.324 484 F C 1.051 177.198 175.800 0.579 0.000 1.116 484 F CA 0.004 58.350 58.000 0.576 0.000 1.123 484 F CB 1.608 40.957 39.000 0.581 0.000 1.238 484 F HN 0.481 nan 8.300 nan 0.000 0.536 485 T N -0.840 114.133 114.554 0.699 0.000 2.918 485 T HA 0.443 4.795 4.350 0.004 0.000 0.286 485 T C -0.723 174.228 174.700 0.418 0.000 1.026 485 T CA -1.096 61.289 62.100 0.474 0.000 1.031 485 T CB 1.338 70.367 68.868 0.268 0.000 1.046 485 T HN 0.549 nan 8.240 nan 0.000 0.479 486 Q N 1.351 121.173 119.800 0.037 0.000 2.293 486 Q HA 0.367 4.709 4.340 0.004 0.000 0.251 486 Q C 0.259 176.261 176.000 0.004 0.000 0.930 486 Q CA -0.654 55.038 55.803 -0.185 0.000 0.893 486 Q CB 1.591 30.050 28.738 -0.465 0.000 1.215 486 Q HN 0.545 nan 8.270 nan 0.000 0.425 487 R N 0.000 120.526 120.500 0.043 0.000 2.786 487 R HA 0.000 4.342 4.340 0.004 0.000 0.208 487 R CA 0.000 56.130 56.100 0.050 0.000 0.921 487 R CB 0.000 30.344 30.300 0.073 0.000 0.687 487 R HN 0.000 nan 8.270 nan 0.000 0.535