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 1rk6_1_A DATA FIRST_RESID 7 DATA SEQUENCE PFDYILSGGT VIDGTNAPGR LADVGVRGDR IAAVGDLSAS SARRRIDVAG DATA SEQUENCE KVVSPGFIDS HTHDDNYLLK HRDMTPKISQ GVTTVVTGNC GISLAPLAHA DATA SEQUENCE NPPAPLDLLD EGGSFRFARF SDYLEALRAA PPAVNAACMV GHSTLRAAVM DATA SEQUENCE PDLRREATAD EIQAMQALAD DALASGAIGI STGAFYPPAA HASTEEIIEV DATA SEQUENCE CRPLITHGGV YATHMRDEGE HIVQALEETF RIGRELDVPV VISHHKVMGK DATA SEQUENCE LNFGRSKETL ALIEAAMASQ DVSLDAYPYV AGSTMLKQDR VLLAGRTLIT DATA SEQUENCE WCKPYPELSG RDLEEIAAER GKSKYDVVPE LQPAGAIYFM MDEPDVQRIL DATA SEQUENCE AFGPTMIGSD GLPHDERPHP RLWGTFPRVL GHYSRDLGLF PLETAVWKMT DATA SEQUENCE GLTAAKFGLA ERGQVQPGYY ADLVVFDPAT VADSATFEHP TERAAGIHSV DATA SEQUENCE YVNGAAVWED QSFTGQHAGR VLNR 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 7 P HA 0.000 nan 4.420 nan 0.000 0.216 7 P C 0.000 177.346 177.300 0.077 0.000 1.155 7 P CA 0.000 63.049 63.100 -0.085 0.000 0.800 7 P CB 0.000 31.668 31.700 -0.053 0.000 0.726 8 F N 0.901 120.828 119.950 -0.038 0.000 2.450 8 F HA 0.153 4.684 4.527 0.007 0.000 0.339 8 F C 1.973 177.746 175.800 -0.045 0.000 1.146 8 F CA -0.196 57.761 58.000 -0.072 0.000 1.267 8 F CB 0.152 39.086 39.000 -0.109 0.000 1.178 8 F HN 0.240 nan 8.300 nan 0.000 0.585 9 D N 0.382 120.861 120.400 0.133 0.000 2.144 9 D HA -0.115 4.529 4.640 0.007 0.000 0.200 9 D C -0.172 176.285 176.300 0.263 0.000 0.978 9 D CA 1.897 55.993 54.000 0.160 0.000 0.833 9 D CB 0.020 40.924 40.800 0.174 0.000 0.961 9 D HN 0.559 nan 8.370 nan 0.000 0.470 10 Y N -2.296 118.064 120.300 0.100 0.000 2.677 10 Y HA 0.559 5.113 4.550 0.006 0.000 0.334 10 Y C -1.600 174.339 175.900 0.066 0.000 1.196 10 Y CA -1.339 56.805 58.100 0.073 0.000 1.059 10 Y CB 0.785 39.266 38.460 0.035 0.000 1.315 10 Y HN -0.320 nan 8.280 nan 0.000 0.455 11 I N 2.901 123.602 120.570 0.217 0.000 2.498 11 I HA 0.357 4.530 4.170 0.007 0.000 0.290 11 I C -1.057 175.153 176.117 0.155 0.000 1.032 11 I CA -0.919 60.454 61.300 0.122 0.000 1.073 11 I CB 2.148 40.233 38.000 0.141 0.000 1.251 11 I HN 0.545 nan 8.210 nan 0.000 0.426 12 L N 6.148 127.430 121.223 0.097 0.000 2.312 12 L HA 0.316 4.660 4.340 0.007 0.000 0.287 12 L C 0.213 177.102 176.870 0.032 0.000 1.091 12 L CA -0.183 54.700 54.840 0.072 0.000 0.846 12 L CB 0.445 42.524 42.059 0.034 0.000 1.219 12 L HN 0.634 nan 8.230 nan 0.000 0.439 13 S N 0.698 116.419 115.700 0.034 0.000 2.509 13 S HA 0.745 5.218 4.470 0.007 0.000 0.297 13 S C 0.873 175.474 174.600 0.001 0.000 1.118 13 S CA 0.005 58.217 58.200 0.020 0.000 1.074 13 S CB 1.945 65.164 63.200 0.032 0.000 1.038 13 S HN 0.906 nan 8.310 nan 0.000 0.498 14 G N 1.148 109.945 108.800 -0.004 0.000 2.176 14 G HA2 -0.087 3.877 3.960 0.007 0.000 0.253 14 G HA3 -0.087 3.877 3.960 0.007 0.000 0.253 14 G C 0.493 175.379 174.900 -0.024 0.000 0.979 14 G CA 0.004 45.097 45.100 -0.011 0.000 0.641 14 G HN 1.324 nan 8.290 nan 0.000 0.530 15 G N -1.220 107.560 108.800 -0.033 0.000 2.583 15 G HA2 0.616 4.580 3.960 0.007 0.000 0.280 15 G HA3 0.616 4.580 3.960 0.007 0.000 0.280 15 G C -0.314 174.558 174.900 -0.046 0.000 1.376 15 G CA 0.414 45.483 45.100 -0.051 0.000 1.043 15 G HN 0.576 nan 8.290 nan 0.000 0.538 16 T N 0.260 114.776 114.554 -0.063 0.000 2.758 16 T HA 0.440 4.793 4.350 0.007 0.000 0.285 16 T C -0.230 174.436 174.700 -0.056 0.000 0.981 16 T CA -0.174 61.895 62.100 -0.052 0.000 0.965 16 T CB 1.483 70.318 68.868 -0.055 0.000 0.927 16 T HN 0.247 nan 8.240 nan 0.000 0.448 17 V N 5.487 125.383 119.914 -0.031 0.000 2.432 17 V HA 0.398 4.522 4.120 0.007 0.000 0.275 17 V C 0.107 176.205 176.094 0.005 0.000 1.043 17 V CA -0.536 61.754 62.300 -0.017 0.000 0.925 17 V CB 0.910 32.724 31.823 -0.016 0.000 0.985 17 V HN 0.788 nan 8.190 nan 0.000 0.466 18 I N 5.118 125.709 120.570 0.036 0.000 2.371 18 I HA 0.261 4.435 4.170 0.007 0.000 0.282 18 I C 0.564 176.741 176.117 0.100 0.000 1.031 18 I CA -0.471 60.878 61.300 0.081 0.000 1.180 18 I CB 1.547 39.628 38.000 0.135 0.000 1.336 18 I HN 0.740 nan 8.210 nan 0.000 0.467 19 D N 4.277 124.718 120.400 0.069 0.000 2.363 19 D HA 0.013 4.657 4.640 0.007 0.000 0.226 19 D C 1.366 177.720 176.300 0.091 0.000 1.020 19 D CA 0.674 54.707 54.000 0.054 0.000 0.892 19 D CB 0.354 41.154 40.800 0.001 0.000 0.900 19 D HN 0.750 nan 8.370 nan 0.000 0.531 20 G N -0.110 108.783 108.800 0.156 0.000 2.176 20 G HA2 -0.309 3.655 3.960 0.007 0.000 0.253 20 G HA3 -0.309 3.655 3.960 0.007 0.000 0.253 20 G C 0.970 176.054 174.900 0.306 0.000 0.979 20 G CA 0.769 46.005 45.100 0.226 0.000 0.641 20 G HN 0.701 nan 8.290 nan 0.000 0.530 21 T N -2.357 112.310 114.554 0.188 0.000 3.105 21 T HA 0.374 4.728 4.350 0.007 0.000 0.253 21 T C 0.763 175.430 174.700 -0.054 0.000 1.047 21 T CA 0.760 62.941 62.100 0.135 0.000 0.944 21 T CB 0.093 68.984 68.868 0.037 0.000 1.016 21 T HN 1.199 nan 8.240 nan 0.000 0.544 22 N N 0.973 119.648 118.700 -0.042 0.000 2.753 22 N HA -0.122 4.621 4.740 0.007 0.000 0.252 22 N C -0.561 174.855 175.510 -0.157 0.000 1.071 22 N CA 0.725 53.643 53.050 -0.220 0.000 0.690 22 N CB -1.481 36.534 38.487 -0.788 0.000 0.906 22 N HN 1.000 nan 8.380 nan 0.000 0.552 23 A N 0.711 123.497 122.820 -0.057 0.000 2.414 23 A HA 0.783 5.107 4.320 0.007 0.000 0.306 23 A C -2.582 174.998 177.584 -0.007 0.000 1.054 23 A CA -1.337 50.675 52.037 -0.042 0.000 0.724 23 A CB 1.418 20.397 19.000 -0.036 0.000 1.267 23 A HN 0.127 nan 8.150 nan 0.000 0.418 24 P HA 0.202 nan 4.420 nan 0.000 0.265 24 P C 0.685 177.993 177.300 0.014 0.000 1.187 24 P CA 0.593 63.699 63.100 0.011 0.000 0.766 24 P CB 0.574 32.277 31.700 0.004 0.000 0.820 25 G N 2.755 111.570 108.800 0.024 0.000 2.554 25 G HA2 0.317 4.281 3.960 0.007 0.000 0.238 25 G HA3 0.317 4.281 3.960 0.007 0.000 0.238 25 G C -0.372 174.530 174.900 0.003 0.000 1.259 25 G CA -0.456 44.653 45.100 0.016 0.000 0.843 25 G HN 0.654 nan 8.290 nan 0.000 0.582 26 R N 0.882 121.380 120.500 -0.004 0.000 2.725 26 R HA 0.474 4.818 4.340 0.007 0.000 0.277 26 R C -0.968 175.325 176.300 -0.013 0.000 0.987 26 R CA -1.127 54.968 56.100 -0.008 0.000 0.901 26 R CB 1.354 31.648 30.300 -0.009 0.000 1.207 26 R HN 0.337 nan 8.270 nan 0.000 0.463 27 L N 2.180 123.395 121.223 -0.012 0.000 2.477 27 L HA 0.446 4.790 4.340 0.007 0.000 0.272 27 L C -0.028 176.835 176.870 -0.013 0.000 1.157 27 L CA 0.360 55.191 54.840 -0.014 0.000 0.889 27 L CB 0.825 42.878 42.059 -0.010 0.000 1.158 27 L HN 0.937 nan 8.230 nan 0.000 0.473 28 A N 3.316 126.127 122.820 -0.016 0.000 2.599 28 A HA 0.546 4.870 4.320 0.007 0.000 0.294 28 A C -1.643 175.932 177.584 -0.014 0.000 1.055 28 A CA -0.918 51.111 52.037 -0.013 0.000 0.683 28 A CB 1.257 20.247 19.000 -0.017 0.000 1.278 28 A HN 0.538 nan 8.150 nan 0.000 0.412 29 D N 0.203 120.599 120.400 -0.007 0.000 2.277 29 D HA 0.559 5.203 4.640 0.007 0.000 0.250 29 D C -0.618 175.669 176.300 -0.022 0.000 1.032 29 D CA -0.077 53.921 54.000 -0.003 0.000 0.947 29 D CB 1.934 42.747 40.800 0.021 0.000 1.159 29 D HN 0.262 nan 8.370 nan 0.000 0.460 30 V N 0.552 120.443 119.914 -0.039 0.000 2.483 30 V HA 0.604 4.728 4.120 0.007 0.000 0.297 30 V C 0.469 176.469 176.094 -0.157 0.000 1.027 30 V CA -0.831 61.411 62.300 -0.096 0.000 0.855 30 V CB 1.799 33.566 31.823 -0.093 0.000 0.995 30 V HN 0.619 nan 8.190 nan 0.000 0.424 31 G N 3.257 111.892 108.800 -0.275 0.000 2.379 31 G HA2 0.647 4.611 3.960 0.007 0.000 0.327 31 G HA3 0.647 4.611 3.960 0.007 0.000 0.327 31 G C -1.140 173.319 174.900 -0.735 0.000 1.145 31 G CA -0.479 44.326 45.100 -0.491 0.000 0.905 31 G HN 0.537 nan 8.290 nan 0.000 0.466 32 V N 2.019 121.454 119.914 -0.799 0.000 2.604 32 V HA 0.630 4.754 4.120 0.007 0.000 0.305 32 V C -0.004 175.762 176.094 -0.546 0.000 1.043 32 V CA -0.928 60.927 62.300 -0.741 0.000 0.888 32 V CB 1.904 33.092 31.823 -1.058 0.000 0.995 32 V HN 0.805 nan 8.190 nan 0.000 0.429 33 R N 2.598 122.893 120.500 -0.341 0.000 2.483 33 R HA 0.596 4.940 4.340 0.007 0.000 0.303 33 R C 0.669 176.928 176.300 -0.069 0.000 0.987 33 R CA 0.612 56.632 56.100 -0.133 0.000 0.881 33 R CB 1.410 31.676 30.300 -0.056 0.000 1.177 33 R HN 1.103 nan 8.270 nan 0.000 0.451 34 G N 3.930 112.728 108.800 -0.003 0.000 2.591 34 G HA2 -0.426 3.538 3.960 0.007 0.000 0.298 34 G HA3 -0.426 3.538 3.960 0.007 0.000 0.298 34 G C 0.194 175.127 174.900 0.056 0.000 1.195 34 G CA 0.686 45.810 45.100 0.040 0.000 0.989 34 G HN 0.805 nan 8.290 nan 0.000 0.551 35 D N 0.998 121.445 120.400 0.078 0.000 2.328 35 D HA 0.200 4.844 4.640 0.007 0.000 0.221 35 D C 0.990 177.365 176.300 0.125 0.000 1.072 35 D CA 0.309 54.395 54.000 0.143 0.000 0.850 35 D CB 0.110 41.046 40.800 0.226 0.000 0.922 35 D HN 0.441 nan 8.370 nan 0.000 0.516 36 R N 0.374 120.870 120.500 -0.007 0.000 2.778 36 R HA 0.490 4.834 4.340 0.007 0.000 0.277 36 R C -0.081 176.129 176.300 -0.150 0.000 0.977 36 R CA -0.960 55.089 56.100 -0.085 0.000 0.950 36 R CB 1.670 31.889 30.300 -0.135 0.000 1.165 36 R HN 0.061 nan 8.270 nan 0.000 0.474 37 I N 2.078 122.568 120.570 -0.133 0.000 2.436 37 I HA 0.012 4.186 4.170 0.007 0.000 0.289 37 I C 1.352 177.317 176.117 -0.253 0.000 1.083 37 I CA 0.190 61.370 61.300 -0.200 0.000 1.372 37 I CB 1.349 39.281 38.000 -0.114 0.000 1.408 37 I HN 0.720 nan 8.210 nan 0.000 0.516 38 A N 5.643 128.203 122.820 -0.433 0.000 1.943 38 A HA 0.580 4.904 4.320 0.007 0.000 0.213 38 A C 0.964 178.332 177.584 -0.359 0.000 1.181 38 A CA 1.022 52.778 52.037 -0.467 0.000 0.653 38 A CB 0.131 18.596 19.000 -0.892 0.000 0.833 38 A HN 0.768 nan 8.150 nan 0.000 0.451 39 A N -2.008 120.576 122.820 -0.393 0.000 2.608 39 A HA 0.591 4.915 4.320 0.007 0.000 0.292 39 A C -1.562 175.936 177.584 -0.143 0.000 1.066 39 A CA -0.296 51.635 52.037 -0.177 0.000 0.676 39 A CB 0.883 19.871 19.000 -0.020 0.000 1.277 39 A HN 0.636 nan 8.150 nan 0.000 0.413 40 V N 0.588 120.459 119.914 -0.072 0.000 2.733 40 V HA 0.877 5.001 4.120 0.007 0.000 0.306 40 V C 0.581 176.660 176.094 -0.025 0.000 1.084 40 V CA 0.546 62.812 62.300 -0.057 0.000 0.905 40 V CB 1.120 32.902 31.823 -0.069 0.000 1.010 40 V HN 2.566 nan 8.190 nan 0.000 0.424 41 G N 3.594 112.387 108.800 -0.012 0.000 2.260 41 G HA2 0.098 4.062 3.960 0.007 0.000 0.250 41 G HA3 0.098 4.062 3.960 0.007 0.000 0.250 41 G C -1.467 173.438 174.900 0.009 0.000 1.340 41 G CA -0.241 44.858 45.100 -0.003 0.000 1.056 41 G HN 0.719 nan 8.290 nan 0.000 0.471 42 D N 1.174 121.580 120.400 0.011 0.000 2.352 42 D HA 0.417 5.061 4.640 0.007 0.000 0.245 42 D C 1.161 177.477 176.300 0.028 0.000 1.224 42 D CA -0.186 53.823 54.000 0.014 0.000 0.879 42 D CB 0.394 41.199 40.800 0.007 0.000 1.057 42 D HN 0.365 nan 8.370 nan 0.000 0.491 43 L N 3.135 124.383 121.223 0.041 0.000 2.872 43 L HA 0.047 4.391 4.340 0.007 0.000 0.245 43 L C 2.053 178.943 176.870 0.034 0.000 1.211 43 L CA -0.179 54.702 54.840 0.069 0.000 1.013 43 L CB -0.044 42.099 42.059 0.141 0.000 1.326 43 L HN 0.327 nan 8.230 nan 0.000 0.525 44 S N 0.337 116.046 115.700 0.014 0.000 2.400 44 S HA -0.188 4.286 4.470 0.007 0.000 0.232 44 S C 1.885 176.472 174.600 -0.023 0.000 1.025 44 S CA 1.034 59.234 58.200 -0.001 0.000 0.993 44 S CB -0.147 63.052 63.200 -0.001 0.000 0.808 44 S HN 0.415 nan 8.310 nan 0.000 0.478 45 A N 0.758 123.561 122.820 -0.028 0.000 2.251 45 A HA 0.459 4.783 4.320 0.007 0.000 0.209 45 A C 0.931 178.457 177.584 -0.098 0.000 1.187 45 A CA -0.185 51.822 52.037 -0.050 0.000 0.823 45 A CB -0.153 18.826 19.000 -0.036 0.000 0.846 45 A HN 0.392 nan 8.150 nan 0.000 0.486 46 S N 0.473 116.093 115.700 -0.133 0.000 2.457 46 S HA 0.363 4.837 4.470 0.007 0.000 0.289 46 S C 0.299 174.694 174.600 -0.342 0.000 1.163 46 S CA -0.363 57.645 58.200 -0.321 0.000 1.078 46 S CB 1.239 64.165 63.200 -0.457 0.000 0.987 46 S HN 0.424 nan 8.310 nan 0.000 0.482 47 S N 2.663 118.150 115.700 -0.355 0.000 2.549 47 S HA 0.542 5.016 4.470 0.007 0.000 0.286 47 S C -0.101 174.326 174.600 -0.288 0.000 1.314 47 S CA -0.354 57.698 58.200 -0.247 0.000 1.062 47 S CB 0.073 63.158 63.200 -0.190 0.000 0.865 47 S HN 0.904 nan 8.310 nan 0.000 0.498 48 A N 4.519 127.271 122.820 -0.113 0.000 2.549 48 A HA 0.573 4.897 4.320 0.007 0.000 0.297 48 A C 0.533 178.140 177.584 0.038 0.000 1.061 48 A CA -0.844 51.193 52.037 -0.000 0.000 0.690 48 A CB 1.145 20.195 19.000 0.084 0.000 1.287 48 A HN 0.896 nan 8.150 nan 0.000 0.402 49 R N -0.113 120.435 120.500 0.079 0.000 2.189 49 R HA 0.058 4.402 4.340 0.007 0.000 0.218 49 R C -0.055 176.297 176.300 0.087 0.000 1.074 49 R CA 0.940 57.084 56.100 0.074 0.000 0.991 49 R CB 0.069 30.421 30.300 0.087 0.000 0.883 49 R HN 0.640 nan 8.270 nan 0.000 0.457 50 R N -0.136 120.439 120.500 0.126 0.000 2.626 50 R HA 0.345 4.689 4.340 0.007 0.000 0.274 50 R C -0.979 175.405 176.300 0.141 0.000 1.031 50 R CA -0.736 55.438 56.100 0.123 0.000 0.898 50 R CB 2.325 32.708 30.300 0.138 0.000 1.222 50 R HN -0.121 nan 8.270 nan 0.000 0.455 51 R N 3.439 124.000 120.500 0.101 0.000 2.407 51 R HA 0.381 4.725 4.340 0.007 0.000 0.298 51 R C -0.871 175.478 176.300 0.081 0.000 1.166 51 R CA -0.377 55.779 56.100 0.094 0.000 1.006 51 R CB 0.638 30.975 30.300 0.062 0.000 1.145 51 R HN 0.564 nan 8.270 nan 0.000 0.538 52 I N 2.955 123.585 120.570 0.100 0.000 2.379 52 I HA 0.048 4.222 4.170 0.007 0.000 0.290 52 I C 0.209 176.358 176.117 0.053 0.000 1.063 52 I CA -0.349 61.001 61.300 0.083 0.000 1.351 52 I CB 0.958 39.022 38.000 0.107 0.000 1.410 52 I HN 0.468 nan 8.210 nan 0.000 0.505 53 D N 6.956 127.377 120.400 0.035 0.000 2.358 53 D HA 0.139 4.783 4.640 0.007 0.000 0.258 53 D C 0.445 176.723 176.300 -0.037 0.000 1.223 53 D CA -0.182 53.823 54.000 0.007 0.000 0.886 53 D CB 0.987 41.794 40.800 0.012 0.000 1.120 53 D HN 0.330 nan 8.370 nan 0.000 0.482 54 V N 1.923 121.802 119.914 -0.059 0.000 2.915 54 V HA 0.611 4.735 4.120 0.007 0.000 0.364 54 V C 0.618 176.658 176.094 -0.090 0.000 1.354 54 V CA -0.451 61.773 62.300 -0.127 0.000 1.213 54 V CB -0.347 31.394 31.823 -0.137 0.000 1.268 54 V HN 0.595 nan 8.190 nan 0.000 0.557 55 A N 0.748 123.536 122.820 -0.053 0.000 2.540 55 A HA 0.503 4.827 4.320 0.007 0.000 0.239 55 A C 1.725 179.286 177.584 -0.039 0.000 1.061 55 A CA 1.057 53.072 52.037 -0.037 0.000 0.758 55 A CB -0.487 18.502 19.000 -0.017 0.000 0.991 55 A HN 2.174 nan 8.150 nan 0.000 0.502 56 G N 1.260 110.040 108.800 -0.034 0.000 2.205 56 G HA2 -0.207 3.757 3.960 0.007 0.000 0.261 56 G HA3 -0.207 3.757 3.960 0.007 0.000 0.261 56 G C 0.308 175.181 174.900 -0.045 0.000 0.980 56 G CA 0.760 45.845 45.100 -0.025 0.000 0.632 56 G HN 0.795 nan 8.290 nan 0.000 0.533 57 K N -0.122 120.228 120.400 -0.082 0.000 2.211 57 K HA 0.769 5.093 4.320 0.007 0.000 0.237 57 K C -0.134 176.347 176.600 -0.198 0.000 1.002 57 K CA -0.821 55.386 56.287 -0.133 0.000 0.885 57 K CB 2.271 34.684 32.500 -0.144 0.000 1.136 57 K HN 0.117 nan 8.250 nan 0.000 0.448 58 V N 1.389 121.076 119.914 -0.379 0.000 2.483 58 V HA 0.276 4.400 4.120 0.007 0.000 0.295 58 V C -0.442 175.452 176.094 -0.333 0.000 1.035 58 V CA -0.901 61.130 62.300 -0.449 0.000 0.896 58 V CB 1.914 33.214 31.823 -0.872 0.000 0.986 58 V HN 0.378 nan 8.190 nan 0.000 0.447 59 V N 4.892 124.720 119.914 -0.144 0.000 2.370 59 V HA 0.645 4.769 4.120 0.007 0.000 0.283 59 V C 0.175 176.289 176.094 0.034 0.000 1.023 59 V CA -0.150 62.134 62.300 -0.027 0.000 0.857 59 V CB 1.513 33.328 31.823 -0.014 0.000 0.985 59 V HN 1.033 nan 8.190 nan 0.000 0.443 60 S N 5.769 121.550 115.700 0.135 0.000 2.709 60 S HA 0.831 5.305 4.470 0.007 0.000 0.302 60 S C -3.155 171.544 174.600 0.165 0.000 1.127 60 S CA -1.983 56.346 58.200 0.215 0.000 0.905 60 S CB 2.533 66.018 63.200 0.474 0.000 1.151 60 S HN 0.403 nan 8.310 nan 0.000 0.510 61 P HA 0.324 nan 4.420 nan 0.000 0.274 61 P C 0.185 177.520 177.300 0.058 0.000 1.237 61 P CA -0.014 63.163 63.100 0.128 0.000 0.793 61 P CB 0.030 31.826 31.700 0.161 0.000 0.977 62 G N 1.059 109.849 108.800 -0.015 0.000 2.491 62 G HA2 0.237 4.201 3.960 0.007 0.000 0.238 62 G HA3 0.237 4.201 3.960 0.007 0.000 0.238 62 G C -0.661 174.181 174.900 -0.096 0.000 1.277 62 G CA -0.251 44.736 45.100 -0.189 0.000 0.851 62 G HN 0.213 nan 8.290 nan 0.000 0.573 63 F N 0.425 120.287 119.950 -0.147 0.000 2.443 63 F HA 0.361 4.893 4.527 0.009 0.000 0.353 63 F C 0.901 176.483 175.800 -0.364 0.000 1.101 63 F CA -1.237 56.584 58.000 -0.299 0.000 1.226 63 F CB 0.712 39.374 39.000 -0.562 0.000 1.140 63 F HN 0.138 nan 8.300 nan 0.000 0.557 64 I N 2.996 123.518 120.570 -0.080 0.000 2.330 64 I HA 0.124 4.298 4.170 0.007 0.000 0.289 64 I C -0.115 175.917 176.117 -0.142 0.000 1.001 64 I CA -0.620 60.608 61.300 -0.121 0.000 1.193 64 I CB 1.064 39.037 38.000 -0.045 0.000 1.345 64 I HN 0.397 nan 8.210 nan 0.000 0.461 65 D N 5.009 125.303 120.400 -0.178 0.000 2.435 65 D HA 0.019 4.663 4.640 0.007 0.000 0.230 65 D C 1.189 177.476 176.300 -0.021 0.000 1.215 65 D CA 0.024 54.045 54.000 0.035 0.000 0.947 65 D CB 0.833 41.650 40.800 0.027 0.000 1.048 65 D HN 0.557 nan 8.370 nan 0.000 0.512 66 S N 2.735 118.435 115.700 -0.000 0.000 2.650 66 S HA -0.068 4.406 4.470 0.007 0.000 0.219 66 S C 0.489 175.032 174.600 -0.095 0.000 0.960 66 S CA -0.077 57.961 58.200 -0.271 0.000 0.925 66 S CB -0.278 62.750 63.200 -0.287 0.000 0.775 66 S HN 0.528 nan 8.310 nan 0.000 0.525 67 H N 1.453 120.500 119.070 -0.038 0.000 2.953 67 H HA 0.486 5.047 4.556 0.007 0.000 0.290 67 H C -0.222 175.037 175.328 -0.115 0.000 1.113 67 H CA 0.040 56.052 56.048 -0.060 0.000 1.454 67 H CB 0.897 30.684 29.762 0.042 0.000 1.525 67 H HN 0.365 nan 8.280 nan 0.000 0.505 68 T N 0.698 115.024 114.554 -0.381 0.000 2.907 68 T HA 0.296 4.650 4.350 0.007 0.000 0.290 68 T C -0.245 174.075 174.700 -0.633 0.000 1.066 68 T CA -0.866 61.038 62.100 -0.326 0.000 1.012 68 T CB 1.643 70.401 68.868 -0.184 0.000 1.184 68 T HN 0.647 nan 8.240 nan 0.000 0.522 69 H N 0.796 119.837 119.070 -0.049 0.000 2.591 69 H HA 0.293 4.853 4.556 0.006 0.000 0.241 69 H C -0.420 174.907 175.328 -0.002 0.000 1.292 69 H CA -0.429 55.612 56.048 -0.012 0.000 1.022 69 H CB 0.276 30.064 29.762 0.045 0.000 1.875 69 H HN 0.624 nan 8.280 nan 0.000 0.570 70 D N 0.270 120.672 120.400 0.002 0.000 2.328 70 D HA -0.027 4.617 4.640 0.007 0.000 0.221 70 D C 0.981 177.348 176.300 0.112 0.000 1.072 70 D CA 0.068 54.094 54.000 0.043 0.000 0.850 70 D CB 0.347 41.135 40.800 -0.020 0.000 0.922 70 D HN 0.345 nan 8.370 nan 0.000 0.516 71 D N 0.796 121.246 120.400 0.083 0.000 2.154 71 D HA -0.225 4.419 4.640 0.007 0.000 0.190 71 D C 1.727 178.107 176.300 0.134 0.000 1.003 71 D CA 1.233 55.269 54.000 0.060 0.000 0.849 71 D CB -0.161 40.568 40.800 -0.119 0.000 0.942 71 D HN 0.136 nan 8.370 nan 0.000 0.446 72 N N -1.468 117.321 118.700 0.148 0.000 2.395 72 N HA -0.098 4.646 4.740 0.007 0.000 0.175 72 N C 1.450 177.119 175.510 0.265 0.000 1.029 72 N CA 0.309 53.459 53.050 0.166 0.000 0.897 72 N CB -0.222 38.294 38.487 0.048 0.000 0.991 72 N HN 0.141 nan 8.380 nan 0.000 0.441 73 Y N 1.006 121.431 120.300 0.207 0.000 2.274 73 Y HA -0.044 4.510 4.550 0.007 0.000 0.290 73 Y C 1.791 177.718 175.900 0.045 0.000 1.145 73 Y CA 1.321 59.491 58.100 0.117 0.000 1.203 73 Y CB -0.144 38.251 38.460 -0.109 0.000 0.984 73 Y HN 0.083 nan 8.280 nan 0.000 0.533 74 L N -0.902 120.384 121.223 0.105 0.000 2.127 74 L HA -0.261 4.083 4.340 0.007 0.000 0.211 74 L C 2.089 178.908 176.870 -0.085 0.000 1.089 74 L CA 1.126 55.962 54.840 -0.007 0.000 0.757 74 L CB -0.469 41.582 42.059 -0.013 0.000 0.899 74 L HN 0.276 nan 8.230 nan 0.000 0.434 75 L N -1.138 120.045 121.223 -0.066 0.000 2.202 75 L HA -0.042 4.301 4.340 0.007 0.000 0.205 75 L C 2.369 179.132 176.870 -0.178 0.000 1.083 75 L CA 0.627 55.407 54.840 -0.100 0.000 0.790 75 L CB -0.262 41.791 42.059 -0.010 0.000 0.942 75 L HN 0.110 nan 8.230 nan 0.000 0.452 76 K N -1.216 119.031 120.400 -0.254 0.000 2.323 76 K HA 0.148 4.472 4.320 0.007 0.000 0.197 76 K C 0.130 176.140 176.600 -0.982 0.000 1.043 76 K CA 0.645 56.620 56.287 -0.521 0.000 0.997 76 K CB 0.327 32.552 32.500 -0.458 0.000 0.807 76 K HN 0.295 nan 8.250 nan 0.000 0.497 77 H N 0.415 119.217 119.070 -0.446 0.000 2.429 77 H HA 0.289 4.849 4.556 0.007 0.000 0.231 77 H C 0.533 175.639 175.328 -0.370 0.000 1.416 77 H CA -0.186 55.552 56.048 -0.516 0.000 1.443 77 H CB 0.595 29.688 29.762 -1.115 0.000 1.591 77 H HN -0.030 nan 8.280 nan 0.000 0.507 78 R N 0.572 120.963 120.500 -0.182 0.000 2.200 78 R HA -0.121 4.223 4.340 0.007 0.000 0.234 78 R C 1.543 177.722 176.300 -0.202 0.000 1.127 78 R CA 1.586 57.621 56.100 -0.109 0.000 0.989 78 R CB 0.138 30.411 30.300 -0.045 0.000 0.869 78 R HN 0.566 nan 8.270 nan 0.000 0.459 79 D N 0.539 120.707 120.400 -0.387 0.000 2.178 79 D HA -0.207 4.437 4.640 0.007 0.000 0.201 79 D C 0.725 176.671 176.300 -0.589 0.000 0.980 79 D CA 0.616 54.001 54.000 -1.024 0.000 0.842 79 D CB -0.055 40.346 40.800 -0.664 0.000 0.948 79 D HN 0.036 nan 8.370 nan 0.000 0.472 80 M N 0.690 120.151 119.600 -0.231 0.000 2.393 80 M HA -0.177 4.307 4.480 0.007 0.000 0.201 80 M C 0.796 176.979 176.300 -0.196 0.000 0.403 80 M CA 0.631 55.870 55.300 -0.101 0.000 0.471 80 M CB -2.899 29.624 32.600 -0.129 0.000 1.669 80 M HN 0.087 nan 8.290 nan 0.000 0.864 81 T N 0.036 114.497 114.554 -0.155 0.000 2.699 81 T HA -0.128 4.226 4.350 0.007 0.000 0.268 81 T C -0.749 173.614 174.700 -0.562 0.000 1.036 81 T CA 2.012 64.004 62.100 -0.180 0.000 1.147 81 T CB -0.629 68.322 68.868 0.138 0.000 0.862 81 T HN 0.388 nan 8.240 nan 0.000 0.446 82 P HA -0.066 nan 4.420 nan 0.000 0.218 82 P C 1.472 178.254 177.300 -0.864 0.000 1.148 82 P CA 1.160 63.238 63.100 -1.704 0.000 0.822 82 P CB 0.060 30.774 31.700 -1.643 0.000 0.784 83 K N -0.451 119.617 120.400 -0.554 0.000 2.121 83 K HA 0.122 4.446 4.320 0.007 0.000 0.203 83 K C 2.155 178.549 176.600 -0.343 0.000 1.041 83 K CA 0.888 56.964 56.287 -0.352 0.000 0.969 83 K CB -1.165 31.175 32.500 -0.267 0.000 0.799 83 K HN 0.272 nan 8.250 nan 0.000 0.456 84 I N 0.492 120.843 120.570 -0.364 0.000 2.454 84 I HA -0.176 3.998 4.170 0.007 0.000 0.254 84 I C 1.997 177.683 176.117 -0.718 0.000 1.156 84 I CA 1.632 62.710 61.300 -0.371 0.000 1.433 84 I CB -0.661 37.235 38.000 -0.173 0.000 1.082 84 I HN -0.040 nan 8.210 nan 0.000 0.432 85 S N 0.454 115.544 115.700 -1.016 0.000 2.507 85 S HA -0.108 4.366 4.470 0.007 0.000 0.235 85 S C 1.761 176.010 174.600 -0.584 0.000 0.988 85 S CA 0.705 58.036 58.200 -1.448 0.000 0.944 85 S CB -0.452 62.149 63.200 -0.999 0.000 0.762 85 S HN 0.702 nan 8.310 nan 0.000 0.526 86 Q N 0.148 119.761 119.800 -0.311 0.000 2.282 86 Q HA 0.343 4.687 4.340 0.007 0.000 0.206 86 Q C 1.159 177.207 176.000 0.080 0.000 0.878 86 Q CA 0.264 56.061 55.803 -0.009 0.000 0.944 86 Q CB 0.603 29.423 28.738 0.137 0.000 1.100 86 Q HN 0.757 nan 8.270 nan 0.000 0.509 87 G N 0.629 109.337 108.800 -0.153 0.000 2.159 87 G HA2 -0.222 3.742 3.960 0.007 0.000 0.227 87 G HA3 -0.222 3.742 3.960 0.007 0.000 0.227 87 G C 0.135 174.775 174.900 -0.434 0.000 0.986 87 G CA -0.131 44.769 45.100 -0.333 0.000 0.651 87 G HN 0.188 nan 8.290 nan 0.000 0.523 88 V N 1.775 121.521 119.914 -0.279 0.000 2.555 88 V HA 0.489 4.613 4.120 0.007 0.000 0.286 88 V C 1.629 177.579 176.094 -0.241 0.000 1.044 88 V CA 1.247 63.357 62.300 -0.316 0.000 1.026 88 V CB 1.285 32.904 31.823 -0.340 0.000 0.981 88 V HN 0.722 nan 8.190 nan 0.000 0.480 89 T N -0.383 114.049 114.554 -0.204 0.000 2.959 89 T HA 0.189 4.543 4.350 0.007 0.000 0.254 89 T C 0.546 175.178 174.700 -0.114 0.000 1.003 89 T CA 0.030 62.052 62.100 -0.131 0.000 0.950 89 T CB 0.461 69.274 68.868 -0.091 0.000 1.090 89 T HN 0.568 nan 8.240 nan 0.000 0.503 90 T N 2.315 116.787 114.554 -0.136 0.000 2.952 90 T HA 0.650 5.004 4.350 0.007 0.000 0.305 90 T C -1.052 173.554 174.700 -0.157 0.000 1.064 90 T CA -0.677 61.345 62.100 -0.130 0.000 1.008 90 T CB 2.281 71.083 68.868 -0.111 0.000 1.078 90 T HN 0.431 nan 8.240 nan 0.000 0.459 91 V N 0.388 120.212 119.914 -0.150 0.000 2.680 91 V HA 0.879 5.003 4.120 0.007 0.000 0.309 91 V C -0.488 175.489 176.094 -0.195 0.000 1.052 91 V CA -0.907 61.295 62.300 -0.163 0.000 0.908 91 V CB 1.706 33.450 31.823 -0.132 0.000 1.001 91 V HN 0.624 nan 8.190 nan 0.000 0.431 92 V N 4.610 124.364 119.914 -0.266 0.000 2.364 92 V HA 0.586 4.710 4.120 0.007 0.000 0.272 92 V C 0.823 176.760 176.094 -0.261 0.000 1.036 92 V CA 0.519 62.615 62.300 -0.339 0.000 0.880 92 V CB 1.201 32.640 31.823 -0.639 0.000 0.991 92 V HN 1.244 nan 8.190 nan 0.000 0.460 93 T N 0.804 115.258 114.554 -0.167 0.000 2.938 93 T HA 0.703 5.057 4.350 0.007 0.000 0.285 93 T C 0.718 175.359 174.700 -0.098 0.000 1.028 93 T CA -0.073 61.948 62.100 -0.133 0.000 1.005 93 T CB 1.666 70.515 68.868 -0.031 0.000 1.157 93 T HN 1.805 nan 8.240 nan 0.000 0.550 94 G N 1.091 109.848 108.800 -0.070 0.000 2.289 94 G HA2 -0.201 3.763 3.960 0.007 0.000 0.280 94 G HA3 -0.201 3.763 3.960 0.007 0.000 0.280 94 G C -0.389 174.498 174.900 -0.021 0.000 1.089 94 G CA -0.120 44.980 45.100 -0.001 0.000 0.939 94 G HN 1.012 nan 8.290 nan 0.000 0.499 95 N N -1.458 117.189 118.700 -0.088 0.000 2.489 95 N HA 0.560 5.304 4.740 0.007 0.000 0.284 95 N C 1.219 176.872 175.510 0.239 0.000 1.158 95 N CA 0.114 53.118 53.050 -0.077 0.000 0.965 95 N CB 0.983 39.096 38.487 -0.624 0.000 1.195 95 N HN 0.669 nan 8.380 nan 0.000 0.506 96 C N 0.829 120.300 119.300 0.285 0.000 4.331 96 C HA -0.106 4.358 4.460 0.007 0.000 0.293 96 C C 1.465 176.642 174.990 0.312 0.000 1.436 96 C CA 0.521 59.794 59.018 0.425 0.000 1.993 96 C CB -2.656 25.507 27.740 0.705 0.000 1.266 96 C HN 1.212 nan 8.230 nan 0.000 0.795 97 G N -0.718 108.207 108.800 0.207 0.000 2.179 97 G HA2 -0.287 3.677 3.960 0.007 0.000 0.260 97 G HA3 -0.287 3.677 3.960 0.007 0.000 0.260 97 G C -0.154 174.829 174.900 0.138 0.000 0.977 97 G CA 0.349 45.559 45.100 0.183 0.000 0.641 97 G HN 0.920 nan 8.290 nan 0.000 0.533 98 I N 2.577 123.238 120.570 0.151 0.000 2.337 98 I HA 0.495 4.669 4.170 0.007 0.000 0.285 98 I C 0.487 176.691 176.117 0.146 0.000 1.041 98 I CA -0.187 61.194 61.300 0.135 0.000 1.199 98 I CB 1.372 39.445 38.000 0.121 0.000 1.370 98 I HN 0.279 nan 8.210 nan 0.000 0.470 99 S N 4.963 120.742 115.700 0.133 0.000 2.566 99 S HA 0.454 4.928 4.470 0.007 0.000 0.298 99 S C 0.314 174.933 174.600 0.032 0.000 1.083 99 S CA -0.858 57.385 58.200 0.072 0.000 0.978 99 S CB 2.418 65.690 63.200 0.120 0.000 1.073 99 S HN 0.513 nan 8.310 nan 0.000 0.491 100 L N 1.265 122.334 121.223 -0.257 0.000 2.141 100 L HA 0.382 4.726 4.340 0.007 0.000 0.209 100 L C 0.782 177.481 176.870 -0.285 0.000 1.094 100 L CA 1.838 56.364 54.840 -0.522 0.000 0.763 100 L CB -0.862 40.767 42.059 -0.716 0.000 0.908 100 L HN 0.977 nan 8.230 nan 0.000 0.437 101 A N -0.576 122.085 122.820 -0.265 0.000 2.384 101 A HA 0.789 5.113 4.320 0.007 0.000 0.312 101 A C -2.676 175.064 177.584 0.262 0.000 1.113 101 A CA -1.391 50.638 52.037 -0.013 0.000 0.779 101 A CB 1.043 19.889 19.000 -0.256 0.000 1.307 101 A HN 0.052 nan 8.150 nan 0.000 0.436 102 P HA 0.562 nan 4.420 nan 0.000 0.301 102 P C -1.411 176.014 177.300 0.209 0.000 1.348 102 P CA -0.245 62.995 63.100 0.233 0.000 0.826 102 P CB 1.239 33.075 31.700 0.225 0.000 0.945 103 L N 3.103 124.469 121.223 0.238 0.000 2.905 103 L HA 0.577 4.921 4.340 0.007 0.000 0.260 103 L C -1.672 175.353 176.870 0.259 0.000 0.933 103 L CA -0.480 54.504 54.840 0.240 0.000 1.034 103 L CB 1.374 43.600 42.059 0.279 0.000 1.550 103 L HN 0.427 nan 8.230 nan 0.000 0.480 104 A N 3.916 126.838 122.820 0.171 0.000 2.280 104 A HA 0.746 5.070 4.320 0.007 0.000 0.320 104 A C -1.060 176.604 177.584 0.133 0.000 1.366 104 A CA -0.190 51.921 52.037 0.123 0.000 0.938 104 A CB 0.061 19.088 19.000 0.045 0.000 1.157 104 A HN 0.752 nan 8.150 nan 0.000 0.536 105 H N 1.967 121.064 119.070 0.045 0.000 3.087 105 H HA 0.477 5.037 4.556 0.007 0.000 0.348 105 H C 0.309 175.619 175.328 -0.030 0.000 1.092 105 H CA 0.117 56.149 56.048 -0.027 0.000 1.285 105 H CB 2.068 31.767 29.762 -0.105 0.000 1.875 105 H HN 0.538 nan 8.280 nan 0.000 0.512 106 A N 3.458 126.362 122.820 0.140 0.000 2.119 106 A HA 0.024 4.348 4.320 0.007 0.000 0.216 106 A C 0.403 178.076 177.584 0.148 0.000 1.152 106 A CA 0.566 52.670 52.037 0.112 0.000 0.708 106 A CB 0.150 19.158 19.000 0.013 0.000 0.805 106 A HN 0.624 nan 8.150 nan 0.000 0.460 107 N N 0.559 119.459 118.700 0.332 0.000 2.697 107 N HA 0.194 4.938 4.740 0.007 0.000 0.253 107 N C -3.236 172.108 175.510 -0.277 0.000 1.604 107 N CA -0.735 52.354 53.050 0.066 0.000 0.772 107 N CB 1.219 39.765 38.487 0.099 0.000 1.267 107 N HN 0.243 nan 8.380 nan 0.000 0.510 108 P HA 0.132 nan 4.420 nan 0.000 0.269 108 P C -2.521 174.469 177.300 -0.516 0.000 1.209 108 P CA -0.569 61.998 63.100 -0.887 0.000 0.776 108 P CB 0.086 31.099 31.700 -1.145 0.000 0.876 109 P HA 0.094 nan 4.420 nan 0.000 0.271 109 P C -0.188 177.001 177.300 -0.186 0.000 1.216 109 P CA -0.069 62.887 63.100 -0.240 0.000 0.776 109 P CB 0.427 32.010 31.700 -0.195 0.000 0.881 110 A N 5.511 128.268 122.820 -0.105 0.000 2.498 110 A HA 0.217 4.541 4.320 0.007 0.000 0.239 110 A C -1.266 176.247 177.584 -0.119 0.000 1.068 110 A CA -0.814 51.181 52.037 -0.070 0.000 0.766 110 A CB -0.814 18.182 19.000 -0.006 0.000 1.003 110 A HN 0.484 nan 8.150 nan 0.000 0.497 111 P HA 0.090 nan 4.420 nan 0.000 0.256 111 P C 0.656 177.870 177.300 -0.144 0.000 1.384 111 P CA -0.038 62.927 63.100 -0.226 0.000 0.879 111 P CB 0.189 31.546 31.700 -0.571 0.000 1.403 112 L N 1.625 122.765 121.223 -0.139 0.000 2.191 112 L HA -0.155 4.189 4.340 0.007 0.000 0.212 112 L C 2.003 178.877 176.870 0.007 0.000 1.103 112 L CA 1.882 56.677 54.840 -0.075 0.000 0.769 112 L CB -1.379 40.510 42.059 -0.283 0.000 0.908 112 L HN 0.093 nan 8.230 nan 0.000 0.438 113 D N -0.848 119.524 120.400 -0.047 0.000 2.351 113 D HA -0.221 4.423 4.640 0.007 0.000 0.216 113 D C 1.981 178.290 176.300 0.014 0.000 0.968 113 D CA 0.818 54.819 54.000 0.001 0.000 0.899 113 D CB -0.571 40.254 40.800 0.042 0.000 0.907 113 D HN 0.337 nan 8.370 nan 0.000 0.514 114 L N -0.484 120.785 121.223 0.076 0.000 2.362 114 L HA -0.024 4.320 4.340 0.007 0.000 0.219 114 L C 2.130 179.049 176.870 0.081 0.000 1.134 114 L CA 0.601 55.491 54.840 0.083 0.000 0.807 114 L CB -0.224 41.881 42.059 0.076 0.000 0.927 114 L HN 0.077 nan 8.230 nan 0.000 0.447 115 L N -1.689 119.589 121.223 0.091 0.000 2.585 115 L HA 0.140 4.484 4.340 0.007 0.000 0.226 115 L C 0.329 177.033 176.870 -0.277 0.000 1.113 115 L CA -0.175 54.672 54.840 0.012 0.000 0.876 115 L CB -0.063 42.025 42.059 0.048 0.000 1.072 115 L HN 0.054 nan 8.230 nan 0.000 0.468 116 D N 0.780 121.104 120.400 -0.126 0.000 2.225 116 D HA 0.096 4.740 4.640 0.007 0.000 0.248 116 D C 0.570 176.700 176.300 -0.283 0.000 1.096 116 D CA 0.122 54.056 54.000 -0.109 0.000 0.863 116 D CB 1.402 42.267 40.800 0.108 0.000 1.156 116 D HN 0.086 nan 8.370 nan 0.000 0.450 117 E N 1.137 121.201 120.200 -0.226 0.000 2.498 117 E HA 0.307 4.661 4.350 0.007 0.000 0.203 117 E C 0.152 176.704 176.600 -0.080 0.000 1.013 117 E CA -0.276 56.034 56.400 -0.150 0.000 0.927 117 E CB 0.730 30.381 29.700 -0.082 0.000 1.012 117 E HN 0.619 nan 8.360 nan 0.000 0.482 118 G N -0.002 108.764 108.800 -0.056 0.000 3.071 118 G HA2 0.132 4.096 3.960 0.007 0.000 0.620 118 G HA3 0.132 4.096 3.960 0.007 0.000 0.620 118 G C 0.458 175.350 174.900 -0.013 0.000 1.204 118 G CA -0.380 44.704 45.100 -0.028 0.000 1.200 118 G HN 0.349 nan 8.290 nan 0.000 0.530 119 G N 0.549 109.360 108.800 0.018 0.000 2.179 119 G HA2 -0.125 3.839 3.960 0.007 0.000 0.257 119 G HA3 -0.125 3.839 3.960 0.007 0.000 0.257 119 G C 1.472 176.375 174.900 0.004 0.000 1.010 119 G CA 1.065 46.175 45.100 0.017 0.000 0.736 119 G HN 1.802 nan 8.290 nan 0.000 0.513 120 S N -0.831 114.889 115.700 0.032 0.000 2.461 120 S HA 0.181 4.655 4.470 0.007 0.000 0.228 120 S C 0.824 175.365 174.600 -0.099 0.000 1.005 120 S CA 0.289 58.455 58.200 -0.056 0.000 0.942 120 S CB -0.031 63.094 63.200 -0.124 0.000 0.776 120 S HN 0.383 nan 8.310 nan 0.000 0.514 121 F N 3.063 122.986 119.950 -0.044 0.000 2.619 121 F HA 0.254 4.785 4.527 0.006 0.000 0.350 121 F C 1.482 177.239 175.800 -0.072 0.000 1.259 121 F CA -0.531 57.463 58.000 -0.009 0.000 1.204 121 F CB -0.028 38.981 39.000 0.016 0.000 1.556 121 F HN 0.130 nan 8.300 nan 0.000 0.650 122 R N 0.066 120.473 120.500 -0.155 0.000 2.509 122 R HA 0.240 4.584 4.340 0.007 0.000 0.297 122 R C -0.900 175.137 176.300 -0.439 0.000 0.951 122 R CA -0.173 55.732 56.100 -0.325 0.000 1.103 122 R CB -0.069 29.937 30.300 -0.489 0.000 1.283 122 R HN 0.171 nan 8.270 nan 0.000 0.534 123 F N 1.417 121.378 119.950 0.020 0.000 2.350 123 F HA 0.473 5.004 4.527 0.007 0.000 0.365 123 F C 1.297 177.125 175.800 0.047 0.000 1.122 123 F CA -0.862 57.149 58.000 0.019 0.000 1.139 123 F CB 1.766 40.764 39.000 -0.004 0.000 1.220 123 F HN 0.073 nan 8.300 nan 0.000 0.499 124 A N 4.252 127.174 122.820 0.169 0.000 2.066 124 A HA 0.068 4.392 4.320 0.007 0.000 0.218 124 A C 1.056 178.734 177.584 0.156 0.000 1.157 124 A CA 0.839 52.956 52.037 0.135 0.000 0.670 124 A CB -0.085 18.965 19.000 0.083 0.000 0.804 124 A HN 0.677 nan 8.150 nan 0.000 0.453 125 R N -2.989 117.621 120.500 0.183 0.000 2.744 125 R HA 0.463 4.807 4.340 0.007 0.000 0.279 125 R C -0.013 176.411 176.300 0.207 0.000 0.977 125 R CA -0.746 55.462 56.100 0.181 0.000 0.906 125 R CB 0.948 31.332 30.300 0.140 0.000 1.197 125 R HN 0.168 nan 8.270 nan 0.000 0.463 126 F N 1.701 121.696 119.950 0.075 0.000 2.161 126 F HA -0.245 4.286 4.527 0.006 0.000 0.300 126 F C 2.307 178.143 175.800 0.061 0.000 1.089 126 F CA 2.386 60.422 58.000 0.060 0.000 1.282 126 F CB 0.121 39.139 39.000 0.030 0.000 1.010 126 F HN 0.630 nan 8.300 nan 0.000 0.485 127 S N -0.666 115.144 115.700 0.184 0.000 2.400 127 S HA -0.223 4.251 4.470 0.007 0.000 0.232 127 S C 1.729 176.321 174.600 -0.014 0.000 1.025 127 S CA 1.452 59.700 58.200 0.080 0.000 0.993 127 S CB -0.704 62.550 63.200 0.090 0.000 0.808 127 S HN 0.419 nan 8.310 nan 0.000 0.478 128 D N 0.514 120.932 120.400 0.031 0.000 2.117 128 D HA -0.081 4.563 4.640 0.007 0.000 0.197 128 D C 1.622 177.846 176.300 -0.128 0.000 0.987 128 D CA 1.307 55.351 54.000 0.073 0.000 0.829 128 D CB -0.470 40.493 40.800 0.272 0.000 0.961 128 D HN 0.610 nan 8.370 nan 0.000 0.460 129 Y N 1.627 121.572 120.300 -0.591 0.000 2.163 129 Y HA -0.106 4.448 4.550 0.006 0.000 0.288 129 Y C 2.200 177.669 175.900 -0.718 0.000 1.136 129 Y CA 1.197 58.579 58.100 -1.198 0.000 1.147 129 Y CB -0.475 37.214 38.460 -1.286 0.000 0.987 129 Y HN -0.125 nan 8.280 nan 0.000 0.509 130 L N -0.024 120.806 121.223 -0.655 0.000 2.083 130 L HA -0.173 4.171 4.340 0.007 0.000 0.209 130 L C 2.469 179.112 176.870 -0.380 0.000 1.083 130 L CA 1.319 55.844 54.840 -0.524 0.000 0.752 130 L CB -0.573 41.354 42.059 -0.221 0.000 0.899 130 L HN 0.206 nan 8.230 nan 0.000 0.433 131 E N 0.391 120.433 120.200 -0.263 0.000 2.110 131 E HA -0.194 4.160 4.350 0.007 0.000 0.193 131 E C 2.298 178.782 176.600 -0.194 0.000 0.988 131 E CA 1.389 57.688 56.400 -0.168 0.000 0.804 131 E CB -0.151 29.498 29.700 -0.084 0.000 0.745 131 E HN 0.461 nan 8.360 nan 0.000 0.458 132 A N 1.025 123.692 122.820 -0.255 0.000 1.933 132 A HA -0.122 4.202 4.320 0.007 0.000 0.218 132 A C 2.380 179.797 177.584 -0.278 0.000 1.175 132 A CA 0.956 52.870 52.037 -0.206 0.000 0.628 132 A CB -0.613 18.304 19.000 -0.138 0.000 0.814 132 A HN 0.175 nan 8.150 nan 0.000 0.444 133 L N -1.112 119.847 121.223 -0.441 0.000 2.056 133 L HA -0.170 4.174 4.340 0.007 0.000 0.207 133 L C 2.874 179.599 176.870 -0.242 0.000 1.078 133 L CA 1.368 55.979 54.840 -0.381 0.000 0.749 133 L CB -0.455 41.299 42.059 -0.509 0.000 0.901 133 L HN 0.364 nan 8.230 nan 0.000 0.433 134 R N -0.148 120.222 120.500 -0.217 0.000 2.092 134 R HA -0.089 4.255 4.340 0.007 0.000 0.231 134 R C 2.328 178.562 176.300 -0.111 0.000 1.119 134 R CA 1.216 57.231 56.100 -0.142 0.000 0.970 134 R CB -0.384 29.845 30.300 -0.119 0.000 0.864 134 R HN 0.325 nan 8.270 nan 0.000 0.440 135 A N 0.871 123.622 122.820 -0.116 0.000 2.014 135 A HA 0.139 4.463 4.320 0.007 0.000 0.218 135 A C 1.256 178.782 177.584 -0.098 0.000 1.163 135 A CA 1.242 53.226 52.037 -0.089 0.000 0.652 135 A CB 0.208 19.162 19.000 -0.077 0.000 0.808 135 A HN 0.283 nan 8.150 nan 0.000 0.449 136 A N 0.520 123.264 122.820 -0.127 0.000 3.216 136 A HA 0.573 4.897 4.320 0.007 0.000 0.321 136 A C -2.867 174.619 177.584 -0.163 0.000 1.042 136 A CA -1.404 50.538 52.037 -0.157 0.000 0.838 136 A CB 0.286 19.188 19.000 -0.163 0.000 1.136 136 A HN 0.204 nan 8.150 nan 0.000 0.483 137 P HA 0.211 nan 4.420 nan 0.000 0.267 137 P C -2.738 174.552 177.300 -0.016 0.000 1.200 137 P CA -0.546 62.513 63.100 -0.068 0.000 0.772 137 P CB 0.667 32.356 31.700 -0.018 0.000 0.855 138 P HA 0.149 nan 4.420 nan 0.000 0.284 138 P C 0.307 177.654 177.300 0.078 0.000 1.292 138 P CA -0.356 62.758 63.100 0.023 0.000 0.800 138 P CB 0.609 32.279 31.700 -0.051 0.000 1.188 139 A N -0.069 122.767 122.820 0.026 0.000 2.119 139 A HA 0.123 4.447 4.320 0.007 0.000 0.217 139 A C 1.141 178.731 177.584 0.009 0.000 1.153 139 A CA 1.216 53.277 52.037 0.041 0.000 0.692 139 A CB -1.031 17.926 19.000 -0.072 0.000 0.799 139 A HN 0.477 nan 8.150 nan 0.000 0.458 140 V N -2.943 116.948 119.914 -0.039 0.000 2.919 140 V HA 0.485 4.609 4.120 0.007 0.000 0.316 140 V C -0.601 175.452 176.094 -0.068 0.000 1.077 140 V CA -1.671 60.592 62.300 -0.061 0.000 0.977 140 V CB 1.197 32.962 31.823 -0.096 0.000 1.039 140 V HN 0.237 nan 8.190 nan 0.000 0.441 141 N N 1.276 119.926 118.700 -0.083 0.000 2.444 141 N HA 0.581 5.324 4.740 0.007 0.000 0.255 141 N C -0.245 175.204 175.510 -0.101 0.000 1.255 141 N CA 0.357 53.348 53.050 -0.099 0.000 0.933 141 N CB 1.532 39.949 38.487 -0.118 0.000 1.143 141 N HN 1.194 nan 8.380 nan 0.000 0.453 142 A N 0.101 122.861 122.820 -0.099 0.000 2.359 142 A HA 0.697 5.021 4.320 0.007 0.000 0.303 142 A C -0.875 176.664 177.584 -0.073 0.000 1.066 142 A CA -0.749 51.235 52.037 -0.088 0.000 0.730 142 A CB 1.030 19.980 19.000 -0.083 0.000 1.211 142 A HN 0.641 nan 8.150 nan 0.000 0.439 143 A N 1.679 124.450 122.820 -0.080 0.000 2.285 143 A HA 0.584 4.908 4.320 0.007 0.000 0.310 143 A C -0.403 177.164 177.584 -0.028 0.000 1.266 143 A CA -0.335 51.668 52.037 -0.056 0.000 0.832 143 A CB -0.071 18.867 19.000 -0.104 0.000 1.163 143 A HN 0.965 nan 8.150 nan 0.000 0.499 144 C N 3.376 122.715 119.300 0.065 0.000 2.329 144 C HA 0.695 5.159 4.460 0.007 0.000 0.329 144 C C 0.461 175.553 174.990 0.170 0.000 1.275 144 C CA -0.514 58.602 59.018 0.163 0.000 1.726 144 C CB 0.038 27.984 27.740 0.344 0.000 2.291 144 C HN 0.862 nan 8.230 nan 0.000 0.514 145 M N 2.083 121.751 119.600 0.112 0.000 2.598 145 M HA 0.530 5.014 4.480 0.007 0.000 0.317 145 M C -0.302 175.993 176.300 -0.008 0.000 1.201 145 M CA -0.546 54.761 55.300 0.012 0.000 0.971 145 M CB 1.790 34.390 32.600 -0.000 0.000 1.657 145 M HN 0.497 nan 8.290 nan 0.000 0.470 146 V N 1.061 120.845 119.914 -0.218 0.000 2.532 146 V HA 0.779 4.903 4.120 0.007 0.000 0.295 146 V C -0.110 175.967 176.094 -0.028 0.000 1.041 146 V CA -0.228 61.950 62.300 -0.205 0.000 0.926 146 V CB 1.647 33.155 31.823 -0.525 0.000 0.992 146 V HN 0.917 nan 8.190 nan 0.000 0.457 147 G N 3.330 112.163 108.800 0.054 0.000 2.343 147 G HA2 0.254 4.218 3.960 0.007 0.000 0.319 147 G HA3 0.254 4.218 3.960 0.007 0.000 0.319 147 G C 0.575 175.546 174.900 0.118 0.000 1.126 147 G CA -0.080 45.075 45.100 0.093 0.000 0.889 147 G HN 1.021 nan 8.290 nan 0.000 0.457 148 H N 1.878 120.980 119.070 0.053 0.000 2.421 148 H HA -0.112 4.448 4.556 0.007 0.000 0.298 148 H C 1.917 177.286 175.328 0.068 0.000 1.087 148 H CA 1.807 57.894 56.048 0.065 0.000 1.330 148 H CB 0.334 30.147 29.762 0.086 0.000 1.388 148 H HN 0.457 nan 8.280 nan 0.000 0.526 149 S N -0.317 115.344 115.700 -0.066 0.000 2.387 149 S HA -0.093 4.381 4.470 0.007 0.000 0.226 149 S C 2.128 176.675 174.600 -0.088 0.000 1.026 149 S CA 1.308 59.430 58.200 -0.129 0.000 0.972 149 S CB -0.164 63.028 63.200 -0.014 0.000 0.814 149 S HN 0.508 nan 8.310 nan 0.000 0.477 150 T N 3.078 117.628 114.554 -0.006 0.000 2.746 150 T HA 0.028 4.381 4.350 0.007 0.000 0.267 150 T C 1.728 176.438 174.700 0.018 0.000 1.039 150 T CA 0.945 63.066 62.100 0.035 0.000 1.142 150 T CB -0.416 68.526 68.868 0.123 0.000 0.866 150 T HN 0.265 nan 8.240 nan 0.000 0.444 151 L N 0.315 121.541 121.223 0.004 0.000 2.046 151 L HA -0.095 4.249 4.340 0.007 0.000 0.208 151 L C 2.909 179.757 176.870 -0.037 0.000 1.077 151 L CA 1.421 56.266 54.840 0.008 0.000 0.747 151 L CB -0.515 41.566 42.059 0.037 0.000 0.896 151 L HN 0.159 nan 8.230 nan 0.000 0.432 152 R N -0.023 120.397 120.500 -0.133 0.000 2.081 152 R HA -0.140 4.204 4.340 0.007 0.000 0.235 152 R C 2.443 178.706 176.300 -0.061 0.000 1.131 152 R CA 1.380 57.407 56.100 -0.122 0.000 0.960 152 R CB -0.494 29.682 30.300 -0.207 0.000 0.856 152 R HN 0.361 nan 8.270 nan 0.000 0.436 153 A N 0.987 123.768 122.820 -0.065 0.000 1.972 153 A HA -0.086 4.238 4.320 0.007 0.000 0.219 153 A C 2.277 179.869 177.584 0.015 0.000 1.169 153 A CA 1.648 53.656 52.037 -0.047 0.000 0.635 153 A CB -0.452 18.482 19.000 -0.110 0.000 0.810 153 A HN 0.408 nan 8.150 nan 0.000 0.446 154 A N -1.146 121.691 122.820 0.028 0.000 2.016 154 A HA 0.207 4.531 4.320 0.007 0.000 0.217 154 A C 2.012 179.622 177.584 0.043 0.000 1.162 154 A CA 1.650 53.721 52.037 0.058 0.000 0.662 154 A CB -0.263 18.781 19.000 0.073 0.000 0.812 154 A HN 0.364 nan 8.150 nan 0.000 0.450 155 V N -0.745 119.185 119.914 0.027 0.000 3.048 155 V HA 0.157 4.281 4.120 0.007 0.000 0.241 155 V C 0.908 177.011 176.094 0.015 0.000 1.129 155 V CA 0.512 62.826 62.300 0.023 0.000 1.128 155 V CB -0.223 31.616 31.823 0.026 0.000 0.849 155 V HN 0.457 nan 8.190 nan 0.000 0.475 156 M N 1.258 120.862 119.600 0.006 0.000 2.108 156 M HA 0.264 4.748 4.480 0.007 0.000 0.354 156 M C -1.672 174.627 176.300 -0.001 0.000 1.229 156 M CA -1.345 53.956 55.300 0.001 0.000 1.081 156 M CB 1.396 33.991 32.600 -0.008 0.000 1.606 156 M HN -0.032 nan 8.290 nan 0.000 0.467 157 P HA -0.045 nan 4.420 nan 0.000 0.221 157 P C -0.444 176.849 177.300 -0.012 0.000 1.150 157 P CA 1.183 64.281 63.100 -0.004 0.000 0.800 157 P CB 0.198 31.895 31.700 -0.006 0.000 0.787 158 D N -0.995 119.392 120.400 -0.021 0.000 2.542 158 D HA 0.162 4.806 4.640 0.007 0.000 0.252 158 D C 0.624 176.895 176.300 -0.047 0.000 1.222 158 D CA -0.364 53.614 54.000 -0.038 0.000 0.895 158 D CB 0.750 41.523 40.800 -0.045 0.000 1.207 158 D HN -0.184 nan 8.370 nan 0.000 0.558 159 L N 2.676 123.869 121.223 -0.050 0.000 2.395 159 L HA 0.155 4.499 4.340 0.007 0.000 0.218 159 L C 1.564 178.388 176.870 -0.077 0.000 1.130 159 L CA 0.386 55.200 54.840 -0.043 0.000 0.826 159 L CB -0.039 42.001 42.059 -0.032 0.000 0.941 159 L HN 0.194 nan 8.230 nan 0.000 0.451 160 R N 1.540 121.932 120.500 -0.180 0.000 3.907 160 R HA 0.114 4.458 4.340 0.007 0.000 0.241 160 R C -0.239 175.646 176.300 -0.692 0.000 1.784 160 R CA -0.004 55.793 56.100 -0.506 0.000 1.509 160 R CB -0.359 29.710 30.300 -0.386 0.000 1.275 160 R HN 0.409 nan 8.270 nan 0.000 0.642 161 R N -2.018 118.302 120.500 -0.300 0.000 2.741 161 R HA 0.189 4.533 4.340 0.007 0.000 0.276 161 R C -1.365 174.966 176.300 0.051 0.000 1.028 161 R CA -1.052 54.987 56.100 -0.101 0.000 0.865 161 R CB 0.696 30.944 30.300 -0.086 0.000 1.268 161 R HN 0.020 nan 8.270 nan 0.000 0.475 162 E N 0.841 121.089 120.200 0.080 0.000 2.404 162 E HA 0.362 4.716 4.350 0.007 0.000 0.261 162 E C -0.491 176.145 176.600 0.059 0.000 1.074 162 E CA -0.122 56.330 56.400 0.086 0.000 0.917 162 E CB 0.983 30.726 29.700 0.073 0.000 0.965 162 E HN 0.586 nan 8.360 nan 0.000 0.433 163 A N 2.861 125.724 122.820 0.071 0.000 2.371 163 A HA 0.255 4.579 4.320 0.007 0.000 0.257 163 A C 0.350 177.961 177.584 0.045 0.000 1.089 163 A CA -0.047 52.024 52.037 0.057 0.000 0.794 163 A CB 0.400 19.446 19.000 0.077 0.000 1.029 163 A HN 0.747 nan 8.150 nan 0.000 0.488 164 T N -0.957 113.617 114.554 0.034 0.000 2.816 164 T HA 0.485 4.839 4.350 0.007 0.000 0.282 164 T C 1.373 176.092 174.700 0.031 0.000 0.993 164 T CA -0.014 62.102 62.100 0.028 0.000 0.994 164 T CB 0.964 69.844 68.868 0.020 0.000 1.025 164 T HN 1.206 nan 8.240 nan 0.000 0.529 165 A N 0.645 123.481 122.820 0.027 0.000 1.902 165 A HA -0.088 4.236 4.320 0.007 0.000 0.217 165 A C 2.051 179.652 177.584 0.028 0.000 1.181 165 A CA 1.690 53.744 52.037 0.027 0.000 0.623 165 A CB -1.060 17.953 19.000 0.022 0.000 0.818 165 A HN 0.901 nan 8.150 nan 0.000 0.443 166 D N -0.262 120.153 120.400 0.024 0.000 2.117 166 D HA -0.132 4.512 4.640 0.007 0.000 0.197 166 D C 1.947 178.265 176.300 0.029 0.000 0.987 166 D CA 1.520 55.535 54.000 0.024 0.000 0.829 166 D CB -0.346 40.465 40.800 0.019 0.000 0.961 166 D HN 0.669 nan 8.370 nan 0.000 0.460 167 E N 0.147 120.365 120.200 0.031 0.000 2.072 167 E HA -0.078 4.276 4.350 0.007 0.000 0.191 167 E C 2.372 179.000 176.600 0.048 0.000 0.985 167 E CA 0.334 56.755 56.400 0.035 0.000 0.801 167 E CB 0.027 29.747 29.700 0.033 0.000 0.750 167 E HN 0.291 nan 8.360 nan 0.000 0.452 168 I N 1.250 121.852 120.570 0.052 0.000 2.226 168 I HA -0.328 3.846 4.170 0.007 0.000 0.245 168 I C 2.427 178.577 176.117 0.054 0.000 1.100 168 I CA 1.320 62.657 61.300 0.063 0.000 1.374 168 I CB -0.224 37.809 38.000 0.056 0.000 1.057 168 I HN 0.138 nan 8.210 nan 0.000 0.413 169 Q N 0.449 120.275 119.800 0.043 0.000 2.084 169 Q HA -0.199 4.145 4.340 0.007 0.000 0.202 169 Q C 2.453 178.478 176.000 0.042 0.000 0.978 169 Q CA 1.867 57.693 55.803 0.039 0.000 0.844 169 Q CB -0.295 28.462 28.738 0.032 0.000 0.898 169 Q HN 0.589 nan 8.270 nan 0.000 0.426 170 A N 0.585 123.429 122.820 0.041 0.000 1.898 170 A HA -0.172 4.152 4.320 0.007 0.000 0.216 170 A C 2.048 179.661 177.584 0.048 0.000 1.181 170 A CA 1.336 53.398 52.037 0.041 0.000 0.620 170 A CB -0.451 18.572 19.000 0.037 0.000 0.819 170 A HN 0.288 nan 8.150 nan 0.000 0.442 171 M N -1.104 118.530 119.600 0.056 0.000 2.132 171 M HA -0.166 4.318 4.480 0.007 0.000 0.263 171 M C 2.485 178.825 176.300 0.066 0.000 1.065 171 M CA 1.613 56.954 55.300 0.067 0.000 1.122 171 M CB -0.335 32.321 32.600 0.093 0.000 1.365 171 M HN 0.523 nan 8.290 nan 0.000 0.411 172 Q N 0.701 120.540 119.800 0.063 0.000 2.124 172 Q HA -0.138 4.206 4.340 0.007 0.000 0.202 172 Q C 1.920 177.947 176.000 0.046 0.000 0.977 172 Q CA 1.894 57.731 55.803 0.056 0.000 0.850 172 Q CB -0.097 28.673 28.738 0.053 0.000 0.901 172 Q HN 0.526 nan 8.270 nan 0.000 0.429 173 A N 0.804 123.651 122.820 0.045 0.000 1.898 173 A HA -0.107 4.217 4.320 0.007 0.000 0.216 173 A C 2.261 179.868 177.584 0.037 0.000 1.181 173 A CA 1.018 53.081 52.037 0.043 0.000 0.620 173 A CB -0.643 18.383 19.000 0.043 0.000 0.819 173 A HN 0.406 nan 8.150 nan 0.000 0.442 174 L N -0.824 120.423 121.223 0.040 0.000 2.046 174 L HA -0.189 4.155 4.340 0.007 0.000 0.208 174 L C 3.089 179.959 176.870 -0.001 0.000 1.077 174 L CA 1.045 55.909 54.840 0.039 0.000 0.747 174 L CB -0.515 41.577 42.059 0.056 0.000 0.896 174 L HN 0.449 nan 8.230 nan 0.000 0.432 175 A N -0.139 122.675 122.820 -0.010 0.000 1.898 175 A HA -0.278 4.046 4.320 0.007 0.000 0.216 175 A C 1.953 179.475 177.584 -0.104 0.000 1.181 175 A CA 2.047 54.045 52.037 -0.065 0.000 0.620 175 A CB -0.624 18.368 19.000 -0.013 0.000 0.819 175 A HN 0.436 nan 8.150 nan 0.000 0.442 176 D N -0.309 120.067 120.400 -0.039 0.000 2.117 176 D HA -0.152 4.492 4.640 0.007 0.000 0.197 176 D C 1.246 177.487 176.300 -0.099 0.000 0.987 176 D CA 1.497 55.474 54.000 -0.038 0.000 0.829 176 D CB -0.092 40.755 40.800 0.078 0.000 0.961 176 D HN 0.349 nan 8.370 nan 0.000 0.460 177 D N -0.227 120.152 120.400 -0.035 0.000 2.117 177 D HA -0.105 4.539 4.640 0.007 0.000 0.197 177 D C 2.008 178.280 176.300 -0.047 0.000 0.987 177 D CA 1.284 55.279 54.000 -0.010 0.000 0.829 177 D CB -0.526 40.298 40.800 0.040 0.000 0.961 177 D HN 0.312 nan 8.370 nan 0.000 0.460 178 A N 0.689 123.441 122.820 -0.114 0.000 1.877 178 A HA -0.141 4.183 4.320 0.007 0.000 0.216 178 A C 2.397 179.811 177.584 -0.284 0.000 1.186 178 A CA 1.041 52.931 52.037 -0.246 0.000 0.620 178 A CB -0.849 17.748 19.000 -0.672 0.000 0.822 178 A HN 0.210 nan 8.150 nan 0.000 0.443 179 L N -0.767 120.232 121.223 -0.373 0.000 2.046 179 L HA -0.190 4.154 4.340 0.007 0.000 0.208 179 L C 3.073 179.698 176.870 -0.408 0.000 1.077 179 L CA 1.091 55.658 54.840 -0.454 0.000 0.747 179 L CB -0.544 41.080 42.059 -0.725 0.000 0.896 179 L HN 0.428 nan 8.230 nan 0.000 0.432 180 A N -0.764 121.821 122.820 -0.392 0.000 1.972 180 A HA -0.172 4.152 4.320 0.007 0.000 0.219 180 A C 2.421 180.011 177.584 0.009 0.000 1.169 180 A CA 1.995 53.992 52.037 -0.067 0.000 0.635 180 A CB -0.497 18.539 19.000 0.060 0.000 0.810 180 A HN 0.397 nan 8.150 nan 0.000 0.446 181 S N -1.958 113.749 115.700 0.012 0.000 2.522 181 S HA 0.317 4.791 4.470 0.007 0.000 0.227 181 S C 1.392 176.042 174.600 0.083 0.000 0.986 181 S CA 0.986 59.229 58.200 0.073 0.000 0.929 181 S CB 0.210 63.495 63.200 0.141 0.000 0.769 181 S HN 1.442 nan 8.310 nan 0.000 0.529 182 G N 0.459 109.294 108.800 0.058 0.000 2.425 182 G HA2 0.029 3.993 3.960 0.007 0.000 0.177 182 G HA3 0.029 3.993 3.960 0.007 0.000 0.177 182 G C 0.138 175.086 174.900 0.080 0.000 0.999 182 G CA -0.319 44.822 45.100 0.069 0.000 0.723 182 G HN 0.690 nan 8.290 nan 0.000 0.491 183 A N 0.727 123.574 122.820 0.044 0.000 2.520 183 A HA 0.560 4.884 4.320 0.007 0.000 0.235 183 A C 1.522 179.087 177.584 -0.032 0.000 1.065 183 A CA 0.696 52.715 52.037 -0.030 0.000 0.764 183 A CB -0.073 18.675 19.000 -0.420 0.000 1.002 183 A HN 1.407 nan 8.150 nan 0.000 0.502 184 I N -0.604 119.974 120.570 0.013 0.000 3.883 184 I HA 0.549 4.723 4.170 0.007 0.000 0.326 184 I C 0.687 176.835 176.117 0.052 0.000 1.283 184 I CA 0.425 61.754 61.300 0.048 0.000 1.161 184 I CB -0.146 37.910 38.000 0.093 0.000 1.012 184 I HN 0.720 nan 8.210 nan 0.000 0.421 185 G N 1.085 109.887 108.800 0.003 0.000 2.321 185 G HA2 0.516 4.480 3.960 0.007 0.000 0.296 185 G HA3 0.516 4.480 3.960 0.007 0.000 0.296 185 G C -1.788 173.092 174.900 -0.034 0.000 1.287 185 G CA -0.782 44.328 45.100 0.016 0.000 0.846 185 G HN 0.089 nan 8.290 nan 0.000 0.508 186 I N 1.059 121.628 120.570 -0.001 0.000 2.582 186 I HA 0.575 4.749 4.170 0.007 0.000 0.292 186 I C 0.184 176.266 176.117 -0.058 0.000 1.066 186 I CA -0.861 60.432 61.300 -0.011 0.000 1.053 186 I CB 2.447 40.475 38.000 0.047 0.000 1.241 186 I HN 0.698 nan 8.210 nan 0.000 0.421 187 S N 2.851 118.522 115.700 -0.049 0.000 2.607 187 S HA 0.886 5.360 4.470 0.007 0.000 0.303 187 S C -0.430 174.163 174.600 -0.012 0.000 1.086 187 S CA -0.517 57.616 58.200 -0.110 0.000 0.995 187 S CB 2.102 65.285 63.200 -0.029 0.000 1.084 187 S HN 0.713 nan 8.310 nan 0.000 0.507 188 T N -2.483 112.039 114.554 -0.052 0.000 2.901 188 T HA 0.821 5.175 4.350 0.007 0.000 0.293 188 T C -0.057 174.764 174.700 0.202 0.000 1.084 188 T CA -0.634 61.544 62.100 0.129 0.000 1.008 188 T CB 1.485 70.421 68.868 0.115 0.000 1.170 188 T HN 1.456 nan 8.240 nan 0.000 0.509 189 G N -0.278 108.690 108.800 0.280 0.000 3.829 189 G HA2 0.566 4.530 3.960 0.007 0.000 0.289 189 G HA3 0.566 4.530 3.960 0.007 0.000 0.289 189 G C 0.584 175.636 174.900 0.253 0.000 1.274 189 G CA -0.059 45.223 45.100 0.303 0.000 0.698 189 G HN 1.076 nan 8.290 nan 0.000 0.488 190 A N 0.735 123.682 122.820 0.212 0.000 2.239 190 A HA 0.146 4.470 4.320 0.007 0.000 0.209 190 A C 1.643 179.279 177.584 0.087 0.000 1.171 190 A CA 0.861 52.993 52.037 0.158 0.000 0.768 190 A CB -0.341 18.743 19.000 0.140 0.000 0.790 190 A HN 0.893 nan 8.150 nan 0.000 0.478 191 F N -0.365 119.503 119.950 -0.136 0.000 2.234 191 F HA 0.029 4.561 4.527 0.008 0.000 0.299 191 F C 0.364 175.962 175.800 -0.337 0.000 1.087 191 F CA 0.263 58.088 58.000 -0.291 0.000 1.340 191 F CB -0.232 38.444 39.000 -0.541 0.000 1.031 191 F HN 0.241 nan 8.300 nan 0.000 0.500 192 Y N 0.754 120.950 120.300 -0.173 0.000 2.316 192 Y HA 0.271 4.825 4.550 0.007 0.000 0.324 192 Y C -1.024 174.777 175.900 -0.166 0.000 1.267 192 Y CA -2.639 55.320 58.100 -0.235 0.000 1.311 192 Y CB -0.488 37.924 38.460 -0.080 0.000 1.267 192 Y HN -0.207 nan 8.280 nan 0.000 0.516 193 P HA -0.163 nan 4.420 nan 0.000 0.216 193 P C -1.352 175.976 177.300 0.046 0.000 1.154 193 P CA 1.982 65.090 63.100 0.012 0.000 0.865 193 P CB -0.786 30.912 31.700 -0.004 0.000 0.789 194 P HA -0.067 nan 4.420 nan 0.000 0.222 194 P C 0.761 178.080 177.300 0.032 0.000 1.147 194 P CA 1.726 64.831 63.100 0.008 0.000 0.790 194 P CB -0.381 31.298 31.700 -0.035 0.000 0.780 195 A N -1.609 121.257 122.820 0.078 0.000 2.585 195 A HA 0.570 4.894 4.320 0.007 0.000 0.266 195 A C 1.828 179.483 177.584 0.118 0.000 1.178 195 A CA 0.474 52.584 52.037 0.122 0.000 0.966 195 A CB -0.484 18.631 19.000 0.192 0.000 1.170 195 A HN 0.072 nan 8.150 nan 0.000 0.558 196 A N -0.477 122.378 122.820 0.057 0.000 2.019 196 A HA -0.156 4.168 4.320 0.007 0.000 0.219 196 A C 1.631 179.128 177.584 -0.144 0.000 1.164 196 A CA 1.431 53.431 52.037 -0.061 0.000 0.644 196 A CB -0.762 18.152 19.000 -0.143 0.000 0.805 196 A HN 0.639 nan 8.150 nan 0.000 0.449 197 H N -0.873 118.212 119.070 0.026 0.000 2.551 197 H HA 0.388 4.948 4.556 0.007 0.000 0.271 197 H C 0.814 176.173 175.328 0.051 0.000 0.984 197 H CA 0.350 56.414 56.048 0.027 0.000 1.164 197 H CB -0.076 29.695 29.762 0.015 0.000 1.437 197 H HN 0.497 nan 8.280 nan 0.000 0.550 198 A N 2.046 124.965 122.820 0.165 0.000 2.450 198 A HA 0.272 4.596 4.320 0.007 0.000 0.255 198 A C 0.853 178.499 177.584 0.104 0.000 1.096 198 A CA -0.266 51.876 52.037 0.175 0.000 0.778 198 A CB 0.208 19.393 19.000 0.308 0.000 1.031 198 A HN 0.363 nan 8.150 nan 0.000 0.494 199 S N 2.036 117.785 115.700 0.082 0.000 2.632 199 S HA 0.287 4.761 4.470 0.007 0.000 0.267 199 S C 1.104 175.718 174.600 0.024 0.000 1.276 199 S CA 0.227 58.453 58.200 0.043 0.000 0.998 199 S CB 0.682 63.905 63.200 0.038 0.000 0.953 199 S HN 0.638 nan 8.310 nan 0.000 0.547 200 T N 0.940 115.497 114.554 0.006 0.000 2.746 200 T HA -0.121 4.233 4.350 0.007 0.000 0.267 200 T C 1.716 176.401 174.700 -0.025 0.000 1.039 200 T CA 1.915 64.007 62.100 -0.014 0.000 1.142 200 T CB -0.571 68.286 68.868 -0.019 0.000 0.866 200 T HN 0.865 nan 8.240 nan 0.000 0.444 201 E N 1.569 121.763 120.200 -0.011 0.000 2.110 201 E HA -0.168 4.186 4.350 0.007 0.000 0.193 201 E C 2.110 178.708 176.600 -0.004 0.000 0.988 201 E CA 1.570 57.964 56.400 -0.010 0.000 0.804 201 E CB -0.253 29.448 29.700 0.001 0.000 0.745 201 E HN 0.639 nan 8.360 nan 0.000 0.458 202 E N 0.128 120.336 120.200 0.014 0.000 2.058 202 E HA -0.212 4.142 4.350 0.007 0.000 0.194 202 E C 2.157 178.752 176.600 -0.008 0.000 0.997 202 E CA 1.646 58.068 56.400 0.036 0.000 0.801 202 E CB -0.249 29.503 29.700 0.088 0.000 0.746 202 E HN 0.445 nan 8.360 nan 0.000 0.450 203 I N 0.820 121.345 120.570 -0.075 0.000 2.179 203 I HA -0.298 3.875 4.170 0.007 0.000 0.242 203 I C 2.480 178.539 176.117 -0.097 0.000 1.088 203 I CA 1.047 62.242 61.300 -0.175 0.000 1.357 203 I CB -0.223 37.688 38.000 -0.149 0.000 1.051 203 I HN 0.226 nan 8.210 nan 0.000 0.409 204 I N 0.346 120.865 120.570 -0.084 0.000 2.163 204 I HA -0.276 3.898 4.170 0.007 0.000 0.243 204 I C 2.574 178.668 176.117 -0.037 0.000 1.085 204 I CA 1.312 62.563 61.300 -0.083 0.000 1.347 204 I CB -0.446 37.509 38.000 -0.076 0.000 1.044 204 I HN 0.238 nan 8.210 nan 0.000 0.408 205 E N 0.446 120.637 120.200 -0.015 0.000 2.077 205 E HA -0.156 4.198 4.350 0.007 0.000 0.193 205 E C 2.425 179.040 176.600 0.024 0.000 0.989 205 E CA 1.142 57.546 56.400 0.008 0.000 0.800 205 E CB -0.412 29.299 29.700 0.018 0.000 0.746 205 E HN 0.343 nan 8.360 nan 0.000 0.452 206 V N 0.675 120.609 119.914 0.033 0.000 2.515 206 V HA -0.220 3.904 4.120 0.007 0.000 0.250 206 V C 2.239 178.367 176.094 0.057 0.000 1.058 206 V CA 1.341 63.679 62.300 0.063 0.000 1.064 206 V CB -0.363 31.529 31.823 0.114 0.000 0.675 206 V HN 0.295 nan 8.190 nan 0.000 0.461 207 C N -0.367 118.958 119.300 0.041 0.000 2.626 207 C HA 0.103 4.567 4.460 0.007 0.000 0.266 207 C C 2.604 177.622 174.990 0.046 0.000 1.317 207 C CA -0.518 58.536 59.018 0.060 0.000 1.716 207 C CB -1.218 26.576 27.740 0.090 0.000 1.819 207 C HN 0.460 nan 8.230 nan 0.000 0.578 208 R N 2.087 122.605 120.500 0.030 0.000 2.140 208 R HA -0.168 4.176 4.340 0.007 0.000 0.250 208 R C -0.461 175.869 176.300 0.050 0.000 1.150 208 R CA 1.673 57.789 56.100 0.027 0.000 0.966 208 R CB -2.268 28.046 30.300 0.023 0.000 0.869 208 R HN 0.396 nan 8.270 nan 0.000 0.445 209 P HA -0.065 nan 4.420 nan 0.000 0.225 209 P C 1.282 178.693 177.300 0.184 0.000 1.148 209 P CA 0.785 63.973 63.100 0.146 0.000 0.779 209 P CB -0.161 31.647 31.700 0.179 0.000 0.780 210 L N -1.377 119.918 121.223 0.120 0.000 2.079 210 L HA -0.199 4.145 4.340 0.007 0.000 0.210 210 L C 2.241 179.168 176.870 0.095 0.000 1.081 210 L CA 1.123 56.032 54.840 0.115 0.000 0.752 210 L CB -0.792 41.325 42.059 0.097 0.000 0.896 210 L HN 0.007 nan 8.230 nan 0.000 0.433 211 I N -0.290 120.315 120.570 0.058 0.000 2.226 211 I HA -0.259 3.915 4.170 0.007 0.000 0.245 211 I C 2.352 178.473 176.117 0.006 0.000 1.100 211 I CA 1.852 63.168 61.300 0.027 0.000 1.374 211 I CB -0.307 37.698 38.000 0.010 0.000 1.057 211 I HN 0.145 nan 8.210 nan 0.000 0.413 212 T N -0.160 114.381 114.554 -0.021 0.000 2.788 212 T HA -0.161 4.193 4.350 0.007 0.000 0.268 212 T C 1.653 176.222 174.700 -0.217 0.000 1.044 212 T CA 1.680 63.698 62.100 -0.136 0.000 1.139 212 T CB -0.456 68.282 68.868 -0.217 0.000 0.867 212 T HN 0.446 nan 8.240 nan 0.000 0.454 213 H N 0.027 119.104 119.070 0.012 0.000 2.539 213 H HA 0.323 4.883 4.556 0.006 0.000 0.269 213 H C 1.767 177.104 175.328 0.016 0.000 0.980 213 H CA 0.438 56.494 56.048 0.013 0.000 1.152 213 H CB 0.082 29.850 29.762 0.010 0.000 1.407 213 H HN 0.507 nan 8.280 nan 0.000 0.564 214 G N 1.363 110.223 108.800 0.100 0.000 2.246 214 G HA2 -0.223 3.741 3.960 0.007 0.000 0.273 214 G HA3 -0.223 3.741 3.960 0.007 0.000 0.273 214 G C 0.636 175.584 174.900 0.080 0.000 1.055 214 G CA 0.327 45.469 45.100 0.071 0.000 0.851 214 G HN 0.679 nan 8.290 nan 0.000 0.500 215 G N -1.757 107.099 108.800 0.093 0.000 2.552 215 G HA2 0.910 4.874 3.960 0.007 0.000 0.318 215 G HA3 0.910 4.874 3.960 0.007 0.000 0.318 215 G C 0.252 175.197 174.900 0.074 0.000 1.240 215 G CA 0.066 45.215 45.100 0.080 0.000 1.002 215 G HN 1.587 nan 8.290 nan 0.000 0.493 216 V N -2.424 117.537 119.914 0.077 0.000 2.881 216 V HA 0.726 4.850 4.120 0.007 0.000 0.316 216 V C -1.021 175.148 176.094 0.124 0.000 1.070 216 V CA -1.349 60.996 62.300 0.075 0.000 0.976 216 V CB 1.616 33.444 31.823 0.008 0.000 1.038 216 V HN 0.689 nan 8.190 nan 0.000 0.446 217 Y N 2.669 122.976 120.300 0.012 0.000 2.342 217 Y HA 0.797 5.350 4.550 0.006 0.000 0.338 217 Y C 0.060 175.982 175.900 0.037 0.000 0.965 217 Y CA -0.268 57.846 58.100 0.024 0.000 1.159 217 Y CB 0.795 39.264 38.460 0.016 0.000 1.157 217 Y HN 1.143 nan 8.280 nan 0.000 0.486 218 A N 4.407 126.962 122.820 -0.442 0.000 2.340 218 A HA 0.764 5.088 4.320 0.007 0.000 0.331 218 A C -0.757 176.542 177.584 -0.476 0.000 1.140 218 A CA -0.541 51.321 52.037 -0.292 0.000 0.801 218 A CB 1.536 20.509 19.000 -0.047 0.000 1.234 218 A HN 0.695 nan 8.150 nan 0.000 0.469 219 T N -0.048 114.368 114.554 -0.230 0.000 2.993 219 T HA 0.413 4.766 4.350 0.007 0.000 0.312 219 T C -1.334 173.384 174.700 0.030 0.000 1.115 219 T CA -0.377 61.651 62.100 -0.120 0.000 1.027 219 T CB 0.739 69.564 68.868 -0.072 0.000 1.116 219 T HN 0.812 nan 8.240 nan 0.000 0.464 220 H N 5.710 124.803 119.070 0.039 0.000 2.761 220 H HA 0.521 5.082 4.556 0.008 0.000 0.284 220 H C 0.778 176.164 175.328 0.097 0.000 1.105 220 H CA -0.855 55.248 56.048 0.090 0.000 1.352 220 H CB 0.351 30.297 29.762 0.306 0.000 1.423 220 H HN 0.545 nan 8.280 nan 0.000 0.464 221 M N 3.923 123.646 119.600 0.206 0.000 2.252 221 M HA -0.081 4.403 4.480 0.007 0.000 0.321 221 M C 1.979 178.423 176.300 0.240 0.000 1.070 221 M CA 0.555 55.954 55.300 0.164 0.000 1.143 221 M CB 0.680 33.312 32.600 0.053 0.000 1.498 221 M HN 0.744 nan 8.290 nan 0.000 0.445 222 R N 0.820 121.421 120.500 0.169 0.000 2.127 222 R HA -0.142 4.202 4.340 0.007 0.000 0.238 222 R C -0.224 176.215 176.300 0.232 0.000 1.134 222 R CA 1.706 57.915 56.100 0.181 0.000 0.975 222 R CB 0.198 30.558 30.300 0.100 0.000 0.865 222 R HN 0.772 nan 8.270 nan 0.000 0.447 223 D N -1.953 118.545 120.400 0.162 0.000 2.736 223 D HA 0.105 4.749 4.640 0.007 0.000 0.223 223 D C -1.112 175.217 176.300 0.048 0.000 1.231 223 D CA -0.501 53.588 54.000 0.149 0.000 0.818 223 D CB 1.582 42.491 40.800 0.182 0.000 1.587 223 D HN 0.009 nan 8.370 nan 0.000 0.463 224 E N 1.591 121.775 120.200 -0.027 0.000 2.812 224 E HA 0.312 4.666 4.350 0.007 0.000 0.211 224 E C 0.267 176.833 176.600 -0.056 0.000 0.986 224 E CA -0.423 55.939 56.400 -0.064 0.000 1.119 224 E CB 1.564 31.168 29.700 -0.160 0.000 1.046 224 E HN 0.450 nan 8.360 nan 0.000 0.474 225 G N 0.953 109.739 108.800 -0.024 0.000 3.244 225 G HA2 -0.025 3.939 3.960 0.007 0.000 0.197 225 G HA3 -0.025 3.939 3.960 0.007 0.000 0.197 225 G C 0.728 175.586 174.900 -0.071 0.000 1.531 225 G CA -0.173 44.902 45.100 -0.041 0.000 0.747 225 G HN 0.111 nan 8.290 nan 0.000 0.763 226 E N -0.121 119.995 120.200 -0.140 0.000 2.130 226 E HA -0.198 4.156 4.350 0.007 0.000 0.196 226 E C 0.889 177.257 176.600 -0.386 0.000 0.998 226 E CA 1.137 57.353 56.400 -0.306 0.000 0.806 226 E CB -0.095 29.322 29.700 -0.471 0.000 0.738 226 E HN 0.470 nan 8.360 nan 0.000 0.459 227 H N -0.305 118.765 119.070 0.001 0.000 2.488 227 H HA 0.123 4.683 4.556 0.007 0.000 0.294 227 H C 1.420 176.747 175.328 -0.002 0.000 1.088 227 H CA -0.106 55.943 56.048 0.002 0.000 1.086 227 H CB 0.134 29.900 29.762 0.007 0.000 1.569 227 H HN 0.291 nan 8.280 nan 0.000 0.548 228 I N 0.163 120.765 120.570 0.053 0.000 2.394 228 I HA -0.220 3.954 4.170 0.007 0.000 0.251 228 I C 1.708 177.835 176.117 0.017 0.000 1.136 228 I CA 0.583 61.904 61.300 0.035 0.000 1.425 228 I CB 0.199 38.213 38.000 0.023 0.000 1.079 228 I HN 0.013 nan 8.210 nan 0.000 0.425 229 V N 0.725 120.653 119.914 0.024 0.000 2.343 229 V HA -0.296 3.828 4.120 0.007 0.000 0.247 229 V C 2.378 178.472 176.094 -0.000 0.000 1.051 229 V CA 1.774 64.084 62.300 0.015 0.000 1.036 229 V CB -0.679 31.164 31.823 0.033 0.000 0.654 229 V HN 0.446 nan 8.190 nan 0.000 0.451 230 Q N 0.268 120.088 119.800 0.033 0.000 2.124 230 Q HA -0.068 4.276 4.340 0.007 0.000 0.202 230 Q C 2.271 178.256 176.000 -0.026 0.000 0.977 230 Q CA 1.850 57.663 55.803 0.017 0.000 0.850 230 Q CB -0.738 28.027 28.738 0.046 0.000 0.901 230 Q HN 0.654 nan 8.270 nan 0.000 0.429 231 A N -0.063 122.746 122.820 -0.018 0.000 1.929 231 A HA -0.085 4.239 4.320 0.007 0.000 0.216 231 A C 2.018 179.507 177.584 -0.159 0.000 1.176 231 A CA 0.891 52.903 52.037 -0.042 0.000 0.628 231 A CB -0.564 18.443 19.000 0.011 0.000 0.816 231 A HN 0.333 nan 8.150 nan 0.000 0.444 232 L N -0.566 120.512 121.223 -0.241 0.000 2.027 232 L HA -0.154 4.189 4.340 0.007 0.000 0.206 232 L C 2.619 178.984 176.870 -0.843 0.000 1.074 232 L CA 1.210 55.692 54.840 -0.598 0.000 0.745 232 L CB -0.430 41.345 42.059 -0.474 0.000 0.898 232 L HN 0.303 nan 8.230 nan 0.000 0.433 233 E N -0.101 119.884 120.200 -0.359 0.000 2.110 233 E HA -0.273 4.081 4.350 0.007 0.000 0.193 233 E C 1.946 178.477 176.600 -0.115 0.000 0.988 233 E CA 1.115 57.434 56.400 -0.135 0.000 0.804 233 E CB -0.114 29.591 29.700 0.009 0.000 0.745 233 E HN 0.522 nan 8.360 nan 0.000 0.458 234 E N 0.308 120.433 120.200 -0.125 0.000 2.077 234 E HA -0.143 4.211 4.350 0.007 0.000 0.193 234 E C 1.761 178.309 176.600 -0.087 0.000 0.989 234 E CA 1.562 57.919 56.400 -0.072 0.000 0.800 234 E CB 0.104 29.778 29.700 -0.043 0.000 0.746 234 E HN 0.090 nan 8.360 nan 0.000 0.452 235 T N 0.572 115.030 114.554 -0.160 0.000 2.746 235 T HA -0.134 4.220 4.350 0.007 0.000 0.267 235 T C 1.391 176.081 174.700 -0.017 0.000 1.039 235 T CA 1.386 63.428 62.100 -0.095 0.000 1.142 235 T CB -0.327 68.449 68.868 -0.154 0.000 0.866 235 T HN 0.170 nan 8.240 nan 0.000 0.444 236 F N 1.551 121.499 119.950 -0.002 0.000 2.186 236 F HA 0.088 4.618 4.527 0.006 0.000 0.299 236 F C 2.483 178.258 175.800 -0.041 0.000 1.090 236 F CA 0.405 58.394 58.000 -0.018 0.000 1.307 236 F CB -0.954 38.040 39.000 -0.011 0.000 1.019 236 F HN 0.003 nan 8.300 nan 0.000 0.489 237 R N 1.205 121.780 120.500 0.125 0.000 2.073 237 R HA -0.111 4.233 4.340 0.007 0.000 0.234 237 R C 2.057 178.338 176.300 -0.030 0.000 1.134 237 R CA 1.552 57.676 56.100 0.041 0.000 0.952 237 R CB -1.097 29.212 30.300 0.016 0.000 0.850 237 R HN 0.337 nan 8.270 nan 0.000 0.433 238 I N 0.102 120.616 120.570 -0.093 0.000 2.208 238 I HA -0.197 3.977 4.170 0.007 0.000 0.245 238 I C 2.293 178.270 176.117 -0.233 0.000 1.097 238 I CA 1.662 62.826 61.300 -0.226 0.000 1.363 238 I CB -0.753 36.995 38.000 -0.420 0.000 1.051 238 I HN 0.480 nan 8.210 nan 0.000 0.413 239 G N 0.569 109.282 108.800 -0.145 0.000 2.440 239 G HA2 -0.237 3.727 3.960 0.007 0.000 0.218 239 G HA3 -0.237 3.727 3.960 0.007 0.000 0.218 239 G C 1.820 176.695 174.900 -0.041 0.000 1.154 239 G CA 0.514 45.571 45.100 -0.071 0.000 0.767 239 G HN 0.307 nan 8.290 nan 0.000 0.552 240 R N -0.023 120.466 120.500 -0.018 0.000 2.092 240 R HA -0.012 4.332 4.340 0.007 0.000 0.231 240 R C 2.482 178.764 176.300 -0.030 0.000 1.119 240 R CA 1.124 57.214 56.100 -0.016 0.000 0.970 240 R CB -0.124 30.176 30.300 -0.001 0.000 0.864 240 R HN 0.250 nan 8.270 nan 0.000 0.440 241 E N 0.799 120.970 120.200 -0.047 0.000 2.106 241 E HA -0.113 4.241 4.350 0.007 0.000 0.192 241 E C 2.052 178.620 176.600 -0.054 0.000 0.984 241 E CA 0.942 57.312 56.400 -0.049 0.000 0.806 241 E CB -0.038 29.626 29.700 -0.060 0.000 0.750 241 E HN 0.353 nan 8.360 nan 0.000 0.458 242 L N 0.257 121.434 121.223 -0.078 0.000 2.270 242 L HA -0.039 4.305 4.340 0.007 0.000 0.210 242 L C 0.469 177.320 176.870 -0.031 0.000 1.104 242 L CA 0.337 55.139 54.840 -0.063 0.000 0.804 242 L CB -0.152 41.847 42.059 -0.101 0.000 0.937 242 L HN 0.079 nan 8.230 nan 0.000 0.450 243 D N 0.314 120.696 120.400 -0.029 0.000 2.746 243 D HA -0.144 4.500 4.640 0.007 0.000 0.236 243 D C -0.512 175.786 176.300 -0.003 0.000 1.129 243 D CA 0.854 54.846 54.000 -0.014 0.000 0.691 243 D CB -0.760 40.033 40.800 -0.011 0.000 1.077 243 D HN 0.177 nan 8.370 nan 0.000 0.432 244 V N -4.196 115.720 119.914 0.003 0.000 3.160 244 V HA 0.918 5.042 4.120 0.007 0.000 0.310 244 V C -2.569 173.544 176.094 0.031 0.000 1.181 244 V CA -2.034 60.279 62.300 0.022 0.000 1.047 244 V CB 2.017 33.867 31.823 0.045 0.000 1.068 244 V HN -0.095 nan 8.190 nan 0.000 0.441 245 P HA 0.384 nan 4.420 nan 0.000 0.271 245 P C -0.519 176.820 177.300 0.065 0.000 1.216 245 P CA 0.010 63.120 63.100 0.017 0.000 0.771 245 P CB 0.919 32.601 31.700 -0.030 0.000 0.864 246 V N 1.382 121.348 119.914 0.086 0.000 2.667 246 V HA 0.672 4.796 4.120 0.007 0.000 0.308 246 V C -0.567 175.570 176.094 0.072 0.000 1.048 246 V CA -0.824 61.581 62.300 0.174 0.000 0.928 246 V CB 2.120 34.099 31.823 0.260 0.000 1.004 246 V HN 0.173 nan 8.190 nan 0.000 0.444 247 V N 5.470 125.413 119.914 0.048 0.000 2.483 247 V HA 0.474 4.598 4.120 0.007 0.000 0.297 247 V C -0.104 176.001 176.094 0.019 0.000 1.027 247 V CA -0.353 61.944 62.300 -0.006 0.000 0.855 247 V CB 1.525 33.319 31.823 -0.047 0.000 0.995 247 V HN 0.845 nan 8.190 nan 0.000 0.424 248 I N 3.796 124.376 120.570 0.017 0.000 2.337 248 I HA 0.238 4.412 4.170 0.007 0.000 0.291 248 I C 0.721 176.809 176.117 -0.050 0.000 1.046 248 I CA 0.389 61.677 61.300 -0.021 0.000 1.324 248 I CB 1.174 39.142 38.000 -0.053 0.000 1.409 248 I HN 0.556 nan 8.210 nan 0.000 0.494 249 S N 4.596 120.212 115.700 -0.140 0.000 2.565 249 S HA 0.109 4.583 4.470 0.007 0.000 0.276 249 S C 0.072 174.347 174.600 -0.541 0.000 1.326 249 S CA -0.386 57.614 58.200 -0.333 0.000 1.045 249 S CB 0.234 63.146 63.200 -0.481 0.000 0.918 249 S HN 0.883 nan 8.310 nan 0.000 0.505 250 H N -0.531 118.427 119.070 -0.186 0.000 2.284 250 H HA -0.232 4.327 4.556 0.006 0.000 0.322 250 H C -0.326 174.870 175.328 -0.219 0.000 0.973 250 H CA 0.775 56.675 56.048 -0.247 0.000 1.076 250 H CB -2.520 27.116 29.762 -0.210 0.000 1.596 250 H HN 0.677 nan 8.280 nan 0.000 0.361 251 H N 2.048 121.047 119.070 -0.119 0.000 2.928 251 H HA 0.429 4.988 4.556 0.005 0.000 0.338 251 H C 0.735 175.962 175.328 -0.168 0.000 1.047 251 H CA 0.629 56.606 56.048 -0.118 0.000 1.435 251 H CB 0.553 30.257 29.762 -0.097 0.000 1.428 251 H HN 0.870 nan 8.280 nan 0.000 0.590 252 K N 1.606 121.597 120.400 -0.682 0.000 2.658 252 K HA 0.507 4.831 4.320 0.007 0.000 0.293 252 K C -1.917 174.414 176.600 -0.448 0.000 1.026 252 K CA -0.837 55.130 56.287 -0.533 0.000 0.871 252 K CB 0.937 33.244 32.500 -0.322 0.000 1.524 252 K HN 0.329 nan 8.250 nan 0.000 0.400 253 V N -1.103 118.650 119.914 -0.268 0.000 2.443 253 V HA 0.615 4.739 4.120 0.007 0.000 0.293 253 V C -0.282 175.809 176.094 -0.005 0.000 1.021 253 V CA -0.814 61.414 62.300 -0.119 0.000 0.848 253 V CB 0.829 32.610 31.823 -0.070 0.000 0.998 253 V HN 0.879 nan 8.190 nan 0.000 0.424 254 M N 3.157 122.754 119.600 -0.005 0.000 2.404 254 M HA 1.007 5.491 4.480 0.007 0.000 0.338 254 M C 0.269 176.601 176.300 0.052 0.000 1.150 254 M CA 0.112 55.445 55.300 0.055 0.000 1.016 254 M CB 1.655 34.240 32.600 -0.026 0.000 1.672 254 M HN 1.657 nan 8.290 nan 0.000 0.448 255 G N 2.116 110.970 108.800 0.090 0.000 2.785 255 G HA2 -0.175 3.789 3.960 0.007 0.000 0.686 255 G HA3 -0.175 3.789 3.960 0.007 0.000 0.686 255 G C -0.269 174.298 174.900 -0.556 0.000 1.155 255 G CA -0.101 44.919 45.100 -0.134 0.000 0.760 255 G HN 1.135 nan 8.290 nan 0.000 0.624 256 K N 0.774 120.644 120.400 -0.883 0.000 2.160 256 K HA 0.010 4.334 4.320 0.007 0.000 0.206 256 K C 2.415 178.607 176.600 -0.680 0.000 1.047 256 K CA 2.328 57.829 56.287 -1.310 0.000 0.930 256 K CB -0.310 31.783 32.500 -0.678 0.000 0.720 256 K HN 0.581 nan 8.250 nan 0.000 0.450 257 L N 0.559 121.560 121.223 -0.369 0.000 2.551 257 L HA -0.055 4.289 4.340 0.007 0.000 0.228 257 L C 0.947 177.735 176.870 -0.137 0.000 1.153 257 L CA 0.617 55.334 54.840 -0.205 0.000 0.851 257 L CB -0.199 41.769 42.059 -0.153 0.000 0.959 257 L HN 0.259 nan 8.230 nan 0.000 0.451 258 N N -1.233 117.391 118.700 -0.128 0.000 2.171 258 N HA 0.086 4.830 4.740 0.007 0.000 0.212 258 N C -0.001 175.602 175.510 0.154 0.000 1.184 258 N CA -0.105 52.944 53.050 -0.002 0.000 0.888 258 N CB 0.632 39.114 38.487 -0.008 0.000 1.038 258 N HN 0.016 nan 8.380 nan 0.000 0.517 259 F N 1.474 121.399 119.950 -0.041 0.000 2.572 259 F HA 0.224 4.755 4.527 0.008 0.000 0.370 259 F C 1.906 177.685 175.800 -0.035 0.000 1.103 259 F CA 0.585 58.563 58.000 -0.036 0.000 1.286 259 F CB -0.090 38.897 39.000 -0.021 0.000 1.105 259 F HN 0.288 nan 8.300 nan 0.000 0.583 260 G N 3.253 112.127 108.800 0.124 0.000 2.217 260 G HA2 -0.339 3.625 3.960 0.007 0.000 0.246 260 G HA3 -0.339 3.625 3.960 0.007 0.000 0.246 260 G C 1.399 176.313 174.900 0.023 0.000 0.990 260 G CA 0.125 45.255 45.100 0.049 0.000 0.627 260 G HN 0.598 nan 8.290 nan 0.000 0.522 261 R N 0.866 121.383 120.500 0.029 0.000 2.339 261 R HA 0.184 4.528 4.340 0.007 0.000 0.199 261 R C 2.352 178.645 176.300 -0.012 0.000 1.018 261 R CA 0.870 56.975 56.100 0.008 0.000 1.036 261 R CB -0.169 30.136 30.300 0.008 0.000 0.899 261 R HN 0.382 nan 8.270 nan 0.000 0.473 262 S N 1.198 116.875 115.700 -0.037 0.000 2.419 262 S HA -0.160 4.314 4.470 0.007 0.000 0.235 262 S C 1.718 176.292 174.600 -0.043 0.000 1.019 262 S CA 1.140 59.304 58.200 -0.059 0.000 0.982 262 S CB -0.010 63.130 63.200 -0.099 0.000 0.789 262 S HN 0.344 nan 8.310 nan 0.000 0.490 263 K N 1.277 121.660 120.400 -0.028 0.000 2.026 263 K HA -0.166 4.158 4.320 0.007 0.000 0.208 263 K C 2.275 178.864 176.600 -0.018 0.000 1.048 263 K CA 1.573 57.848 56.287 -0.020 0.000 0.929 263 K CB -0.157 32.340 32.500 -0.004 0.000 0.713 263 K HN 0.453 nan 8.250 nan 0.000 0.439 264 E N -0.119 120.079 120.200 -0.004 0.000 2.072 264 E HA -0.172 4.182 4.350 0.007 0.000 0.191 264 E C 1.770 178.376 176.600 0.011 0.000 0.985 264 E CA 1.866 58.270 56.400 0.007 0.000 0.801 264 E CB -0.085 29.622 29.700 0.012 0.000 0.750 264 E HN 0.494 nan 8.360 nan 0.000 0.452 265 T N -0.440 114.128 114.554 0.023 0.000 2.777 265 T HA -0.104 4.250 4.350 0.007 0.000 0.266 265 T C 2.108 176.785 174.700 -0.037 0.000 1.040 265 T CA 1.088 63.219 62.100 0.053 0.000 1.141 265 T CB -0.470 68.517 68.868 0.198 0.000 0.868 265 T HN 0.154 nan 8.240 nan 0.000 0.444 266 L N 0.929 122.075 121.223 -0.130 0.000 2.141 266 L HA 0.091 4.435 4.340 0.007 0.000 0.209 266 L C 3.315 180.038 176.870 -0.243 0.000 1.094 266 L CA 1.032 55.614 54.840 -0.431 0.000 0.763 266 L CB -0.727 40.962 42.059 -0.617 0.000 0.908 266 L HN 0.396 nan 8.230 nan 0.000 0.437 267 A N 0.181 122.950 122.820 -0.084 0.000 1.898 267 A HA -0.128 4.196 4.320 0.007 0.000 0.216 267 A C 2.243 179.834 177.584 0.012 0.000 1.181 267 A CA 1.226 53.260 52.037 -0.005 0.000 0.620 267 A CB -0.555 18.451 19.000 0.011 0.000 0.819 267 A HN 0.340 nan 8.150 nan 0.000 0.442 268 L N -0.643 120.598 121.223 0.029 0.000 2.056 268 L HA -0.152 4.192 4.340 0.007 0.000 0.207 268 L C 2.456 179.366 176.870 0.068 0.000 1.078 268 L CA 1.139 56.031 54.840 0.086 0.000 0.749 268 L CB -0.480 41.688 42.059 0.181 0.000 0.901 268 L HN 0.368 nan 8.230 nan 0.000 0.433 269 I N -0.311 120.304 120.570 0.076 0.000 2.252 269 I HA -0.289 3.885 4.170 0.007 0.000 0.245 269 I C 2.630 178.773 176.117 0.043 0.000 1.102 269 I CA 1.329 62.674 61.300 0.074 0.000 1.385 269 I CB -0.253 37.744 38.000 -0.006 0.000 1.064 269 I HN 0.327 nan 8.210 nan 0.000 0.414 270 E N 1.238 121.514 120.200 0.128 0.000 2.077 270 E HA -0.253 4.101 4.350 0.007 0.000 0.193 270 E C 2.265 178.888 176.600 0.038 0.000 0.989 270 E CA 1.343 57.863 56.400 0.201 0.000 0.800 270 E CB -0.007 29.865 29.700 0.286 0.000 0.746 270 E HN 0.488 nan 8.360 nan 0.000 0.452 271 A N 1.187 123.997 122.820 -0.016 0.000 1.902 271 A HA -0.100 4.224 4.320 0.007 0.000 0.217 271 A C 2.401 179.891 177.584 -0.156 0.000 1.181 271 A CA 1.798 53.796 52.037 -0.064 0.000 0.623 271 A CB -0.782 18.187 19.000 -0.052 0.000 0.818 271 A HN 0.410 nan 8.150 nan 0.000 0.443 272 A N -0.560 122.070 122.820 -0.316 0.000 1.933 272 A HA -0.126 4.198 4.320 0.007 0.000 0.218 272 A C 2.203 179.612 177.584 -0.292 0.000 1.175 272 A CA 1.778 53.505 52.037 -0.517 0.000 0.628 272 A CB -0.576 17.623 19.000 -1.336 0.000 0.814 272 A HN 0.534 nan 8.150 nan 0.000 0.444 273 M N -0.492 119.003 119.600 -0.174 0.000 2.358 273 M HA -0.142 4.342 4.480 0.007 0.000 0.264 273 M C 2.272 178.535 176.300 -0.063 0.000 1.064 273 M CA 1.138 56.390 55.300 -0.080 0.000 1.093 273 M CB -0.297 32.298 32.600 -0.008 0.000 1.401 273 M HN 0.492 nan 8.290 nan 0.000 0.440 274 A N -0.272 122.507 122.820 -0.067 0.000 2.066 274 A HA -0.080 4.244 4.320 0.007 0.000 0.218 274 A C 2.185 179.737 177.584 -0.053 0.000 1.157 274 A CA 1.750 53.759 52.037 -0.048 0.000 0.670 274 A CB -0.372 18.604 19.000 -0.040 0.000 0.804 274 A HN 0.555 nan 8.150 nan 0.000 0.453 275 S N -1.834 113.819 115.700 -0.078 0.000 2.559 275 S HA 0.256 4.730 4.470 0.007 0.000 0.226 275 S C 0.420 174.980 174.600 -0.065 0.000 1.030 275 S CA 0.073 58.232 58.200 -0.067 0.000 0.956 275 S CB -0.086 63.071 63.200 -0.072 0.000 0.900 275 S HN 0.769 nan 8.310 nan 0.000 0.510 276 Q N -0.097 119.655 119.800 -0.081 0.000 2.565 276 Q HA 0.477 4.821 4.340 0.007 0.000 0.294 276 Q C -2.156 173.815 176.000 -0.049 0.000 1.005 276 Q CA -0.925 54.843 55.803 -0.059 0.000 0.771 276 Q CB 0.620 29.322 28.738 -0.062 0.000 1.486 276 Q HN -0.038 nan 8.270 nan 0.000 0.422 277 D N 1.272 121.658 120.400 -0.023 0.000 2.352 277 D HA 0.376 5.019 4.640 0.007 0.000 0.245 277 D C -1.260 175.042 176.300 0.005 0.000 1.224 277 D CA -0.007 53.985 54.000 -0.013 0.000 0.879 277 D CB 0.937 41.732 40.800 -0.009 0.000 1.057 277 D HN 0.383 nan 8.370 nan 0.000 0.491 278 V N 2.551 122.467 119.914 0.004 0.000 2.789 278 V HA 0.542 4.666 4.120 0.007 0.000 0.311 278 V C 0.033 176.144 176.094 0.028 0.000 1.073 278 V CA -0.712 61.613 62.300 0.042 0.000 0.921 278 V CB 2.202 34.062 31.823 0.061 0.000 1.009 278 V HN 0.499 nan 8.190 nan 0.000 0.426 279 S N 3.805 119.518 115.700 0.021 0.000 2.661 279 S HA 0.932 5.406 4.470 0.007 0.000 0.285 279 S C -0.990 173.625 174.600 0.026 0.000 1.138 279 S CA -0.740 57.458 58.200 -0.003 0.000 0.855 279 S CB 2.238 65.377 63.200 -0.102 0.000 1.136 279 S HN 0.893 nan 8.310 nan 0.000 0.484 280 L N -0.207 121.039 121.223 0.039 0.000 2.622 280 L HA 0.928 5.272 4.340 0.007 0.000 0.258 280 L C -2.199 174.712 176.870 0.068 0.000 0.996 280 L CA -1.022 53.848 54.840 0.050 0.000 0.858 280 L CB 2.110 44.198 42.059 0.049 0.000 1.449 280 L HN 0.707 nan 8.230 nan 0.000 0.411 281 D N 0.976 121.416 120.400 0.067 0.000 2.531 281 D HA 0.923 5.567 4.640 0.007 0.000 0.244 281 D C -0.912 175.404 176.300 0.026 0.000 1.090 281 D CA -0.338 53.703 54.000 0.069 0.000 0.989 281 D CB 2.230 43.105 40.800 0.125 0.000 1.433 281 D HN 1.082 nan 8.370 nan 0.000 0.492 282 A N -0.568 122.249 122.820 -0.005 0.000 2.612 282 A HA 0.633 4.957 4.320 0.007 0.000 0.293 282 A C -1.844 175.691 177.584 -0.081 0.000 1.075 282 A CA -1.165 50.802 52.037 -0.117 0.000 0.680 282 A CB 0.854 19.766 19.000 -0.145 0.000 1.279 282 A HN 0.750 nan 8.150 nan 0.000 0.411 283 Y N -0.565 119.720 120.300 -0.025 0.000 2.457 283 Y HA 0.784 5.340 4.550 0.009 0.000 0.333 283 Y C -2.320 173.590 175.900 0.017 0.000 1.119 283 Y CA -3.261 54.836 58.100 -0.006 0.000 1.143 283 Y CB 0.945 39.423 38.460 0.030 0.000 1.230 283 Y HN 0.351 nan 8.280 nan 0.000 0.469 284 P HA 0.185 nan 4.420 nan 0.000 0.220 284 P C -1.650 175.535 177.300 -0.192 0.000 1.793 284 P CA 0.381 63.422 63.100 -0.099 0.000 0.917 284 P CB -0.670 30.955 31.700 -0.124 0.000 1.755 285 Y N -1.570 118.917 120.300 0.312 0.000 2.615 285 Y HA 0.227 4.782 4.550 0.009 0.000 0.341 285 Y C 1.349 177.430 175.900 0.302 0.000 1.089 285 Y CA -1.104 57.224 58.100 0.380 0.000 1.049 285 Y CB 1.613 40.390 38.460 0.529 0.000 1.296 285 Y HN -0.254 nan 8.280 nan 0.000 0.470 286 V N -1.613 118.568 119.914 0.445 0.000 3.596 286 V HA 0.709 4.833 4.120 0.007 0.000 0.289 286 V C 0.281 176.484 176.094 0.182 0.000 1.336 286 V CA 0.360 62.809 62.300 0.247 0.000 1.137 286 V CB -0.638 31.298 31.823 0.188 0.000 0.966 286 V HN 0.640 nan 8.190 nan 0.000 0.428 287 A N -0.141 122.809 122.820 0.216 0.000 2.386 287 A HA 0.917 5.241 4.320 0.007 0.000 0.311 287 A C 0.208 177.940 177.584 0.246 0.000 1.068 287 A CA 0.005 51.986 52.037 -0.093 0.000 0.743 287 A CB 1.394 19.756 19.000 -1.064 0.000 1.258 287 A HN 0.647 nan 8.150 nan 0.000 0.429 288 G N -0.421 108.478 108.800 0.165 0.000 2.613 288 G HA2 0.613 4.577 3.960 0.007 0.000 0.303 288 G HA3 0.613 4.577 3.960 0.007 0.000 0.303 288 G C -0.393 174.604 174.900 0.161 0.000 1.312 288 G CA -0.095 45.099 45.100 0.157 0.000 1.036 288 G HN 1.382 nan 8.290 nan 0.000 0.513 289 S N -1.919 113.845 115.700 0.106 0.000 2.548 289 S HA 0.683 5.157 4.470 0.007 0.000 0.278 289 S C -0.642 174.064 174.600 0.176 0.000 1.150 289 S CA 0.165 58.437 58.200 0.120 0.000 0.907 289 S CB 1.698 64.927 63.200 0.049 0.000 1.108 289 S HN 1.206 nan 8.310 nan 0.000 0.459 290 T N 2.686 117.391 114.554 0.251 0.000 2.676 290 T HA 0.400 4.754 4.350 0.007 0.000 0.299 290 T C -0.971 173.877 174.700 0.247 0.000 1.657 290 T CA -0.212 62.055 62.100 0.278 0.000 0.985 290 T CB 0.098 69.231 68.868 0.441 0.000 1.926 290 T HN 0.985 nan 8.240 nan 0.000 0.456 291 M N 1.808 121.547 119.600 0.232 0.000 2.252 291 M HA 0.482 4.966 4.480 0.007 0.000 0.321 291 M C -0.082 176.318 176.300 0.167 0.000 1.070 291 M CA -0.339 55.041 55.300 0.134 0.000 1.143 291 M CB -0.094 32.571 32.600 0.109 0.000 1.498 291 M HN 0.464 nan 8.290 nan 0.000 0.445 292 L N 3.093 124.307 121.223 -0.013 0.000 2.410 292 L HA 0.372 4.715 4.340 0.007 0.000 0.273 292 L C -0.425 176.495 176.870 0.083 0.000 1.144 292 L CA 0.828 55.695 54.840 0.046 0.000 0.863 292 L CB 0.159 42.141 42.059 -0.129 0.000 1.140 292 L HN 0.714 nan 8.230 nan 0.000 0.463 293 K N 4.300 124.792 120.400 0.155 0.000 2.464 293 K HA 0.299 4.623 4.320 0.007 0.000 0.253 293 K C -1.142 175.437 176.600 -0.035 0.000 0.933 293 K CA -0.539 55.773 56.287 0.041 0.000 0.801 293 K CB 1.799 34.338 32.500 0.065 0.000 1.271 293 K HN 0.689 nan 8.250 nan 0.000 0.430 294 Q N 2.511 122.219 119.800 -0.153 0.000 2.431 294 Q HA 0.065 4.409 4.340 0.007 0.000 0.234 294 Q C -0.939 174.968 176.000 -0.154 0.000 1.203 294 Q CA 0.373 55.958 55.803 -0.363 0.000 0.902 294 Q CB 0.365 28.753 28.738 -0.584 0.000 1.455 294 Q HN 0.311 nan 8.270 nan 0.000 0.515 295 D N 1.966 122.399 120.400 0.054 0.000 2.855 295 D HA 0.123 4.767 4.640 0.007 0.000 0.241 295 D C 0.614 177.062 176.300 0.246 0.000 1.277 295 D CA -0.447 53.651 54.000 0.163 0.000 0.918 295 D CB 1.015 41.844 40.800 0.048 0.000 1.462 295 D HN 0.297 nan 8.370 nan 0.000 0.559 296 R N 2.005 122.653 120.500 0.247 0.000 2.127 296 R HA -0.063 4.281 4.340 0.007 0.000 0.238 296 R C 1.661 177.988 176.300 0.044 0.000 1.134 296 R CA 1.031 57.183 56.100 0.086 0.000 0.975 296 R CB -0.288 29.973 30.300 -0.065 0.000 0.865 296 R HN 0.337 nan 8.270 nan 0.000 0.447 297 V N 1.257 121.192 119.914 0.035 0.000 2.379 297 V HA -0.116 4.008 4.120 0.007 0.000 0.243 297 V C 2.511 178.598 176.094 -0.012 0.000 1.035 297 V CA 1.076 63.376 62.300 0.001 0.000 1.035 297 V CB -0.462 31.359 31.823 -0.004 0.000 0.673 297 V HN 0.158 nan 8.190 nan 0.000 0.457 298 L N -0.323 120.860 121.223 -0.067 0.000 2.079 298 L HA -0.158 4.186 4.340 0.007 0.000 0.210 298 L C 2.072 178.920 176.870 -0.037 0.000 1.081 298 L CA 1.548 56.236 54.840 -0.255 0.000 0.752 298 L CB -0.367 41.269 42.059 -0.704 0.000 0.896 298 L HN 0.324 nan 8.230 nan 0.000 0.433 299 L N -1.077 120.186 121.223 0.067 0.000 2.592 299 L HA 0.120 4.464 4.340 0.007 0.000 0.227 299 L C 2.461 179.408 176.870 0.128 0.000 1.127 299 L CA -0.050 54.893 54.840 0.171 0.000 0.884 299 L CB -0.360 41.816 42.059 0.195 0.000 1.065 299 L HN 0.116 nan 8.230 nan 0.000 0.457 300 A N 0.461 123.332 122.820 0.084 0.000 1.933 300 A HA 0.100 4.424 4.320 0.007 0.000 0.218 300 A C 1.508 179.129 177.584 0.062 0.000 1.175 300 A CA 1.503 53.569 52.037 0.048 0.000 0.628 300 A CB -0.501 18.502 19.000 0.005 0.000 0.814 300 A HN 0.395 nan 8.150 nan 0.000 0.444 301 G N -1.494 107.370 108.800 0.105 0.000 2.971 301 G HA2 0.463 4.427 3.960 0.007 0.000 0.235 301 G HA3 0.463 4.427 3.960 0.007 0.000 0.235 301 G C -0.218 174.759 174.900 0.128 0.000 1.351 301 G CA -0.793 44.374 45.100 0.112 0.000 1.039 301 G HN 0.434 nan 8.290 nan 0.000 0.563 302 R N -0.298 120.263 120.500 0.103 0.000 2.502 302 R HA 0.282 4.626 4.340 0.007 0.000 0.292 302 R C -0.937 175.487 176.300 0.206 0.000 0.998 302 R CA 0.623 56.752 56.100 0.049 0.000 1.056 302 R CB -0.169 30.009 30.300 -0.203 0.000 0.939 302 R HN 0.333 nan 8.270 nan 0.000 0.411 303 T N 6.040 120.665 114.554 0.119 0.000 2.879 303 T HA 0.394 4.748 4.350 0.007 0.000 0.290 303 T C -0.646 174.053 174.700 -0.003 0.000 0.993 303 T CA -0.647 61.502 62.100 0.083 0.000 0.975 303 T CB 1.111 70.041 68.868 0.103 0.000 0.981 303 T HN 0.417 nan 8.240 nan 0.000 0.439 304 L N 3.223 124.417 121.223 -0.048 0.000 2.346 304 L HA 0.614 4.958 4.340 0.007 0.000 0.274 304 L C -0.362 176.436 176.870 -0.119 0.000 1.007 304 L CA -1.393 53.416 54.840 -0.051 0.000 0.818 304 L CB 1.480 43.544 42.059 0.010 0.000 1.284 304 L HN 0.389 nan 8.230 nan 0.000 0.424 305 I N 1.458 121.973 120.570 -0.091 0.000 2.395 305 I HA 0.086 4.260 4.170 0.007 0.000 0.289 305 I C 1.383 177.460 176.117 -0.068 0.000 1.023 305 I CA 0.135 61.362 61.300 -0.122 0.000 1.350 305 I CB 1.458 39.403 38.000 -0.091 0.000 1.409 305 I HN 0.773 nan 8.210 nan 0.000 0.507 306 T N 2.858 117.357 114.554 -0.092 0.000 3.044 306 T HA 0.098 4.452 4.350 0.007 0.000 0.255 306 T C 0.138 174.980 174.700 0.237 0.000 1.073 306 T CA 0.008 62.150 62.100 0.071 0.000 1.125 306 T CB 0.390 69.343 68.868 0.142 0.000 0.908 306 T HN 0.677 nan 8.240 nan 0.000 0.480 307 W N -0.946 120.367 121.300 0.022 0.000 3.173 307 W HA 0.598 5.262 4.660 0.006 0.000 0.313 307 W C -2.237 174.304 176.519 0.037 0.000 1.228 307 W CA -1.961 55.405 57.345 0.035 0.000 1.185 307 W CB 0.746 30.232 29.460 0.043 0.000 1.390 307 W HN 0.047 nan 8.180 nan 0.000 0.568 308 C N 3.237 122.700 119.300 0.272 0.000 2.832 308 C HA 0.315 4.779 4.460 0.007 0.000 0.383 308 C C 1.257 176.388 174.990 0.235 0.000 1.046 308 C CA -0.351 58.725 59.018 0.097 0.000 1.242 308 C CB 1.245 29.014 27.740 0.048 0.000 1.693 308 C HN 0.928 nan 8.230 nan 0.000 0.497 309 K N 4.534 125.086 120.400 0.254 0.000 2.001 309 K HA 0.016 4.340 4.320 0.007 0.000 0.208 309 K C -0.608 175.998 176.600 0.012 0.000 1.048 309 K CA 1.994 58.390 56.287 0.182 0.000 0.932 309 K CB -0.302 32.319 32.500 0.201 0.000 0.715 309 K HN 0.725 nan 8.250 nan 0.000 0.437 310 P HA -0.126 nan 4.420 nan 0.000 0.221 310 P C -0.482 176.414 177.300 -0.674 0.000 1.150 310 P CA 1.237 64.095 63.100 -0.404 0.000 0.800 310 P CB 0.161 31.570 31.700 -0.485 0.000 0.787 311 Y N -1.372 118.949 120.300 0.035 0.000 2.592 311 Y HA 0.351 4.905 4.550 0.006 0.000 0.354 311 Y C -1.846 174.080 175.900 0.042 0.000 1.063 311 Y CA -2.358 55.759 58.100 0.028 0.000 1.205 311 Y CB 0.917 39.383 38.460 0.010 0.000 1.106 311 Y HN -0.083 nan 8.280 nan 0.000 0.649 312 P HA -0.226 nan 4.420 nan 0.000 0.218 312 P C 1.456 178.830 177.300 0.123 0.000 1.146 312 P CA 1.637 64.816 63.100 0.133 0.000 0.813 312 P CB 0.393 32.153 31.700 0.100 0.000 0.778 313 E N 0.319 120.591 120.200 0.121 0.000 2.333 313 E HA -0.142 4.212 4.350 0.007 0.000 0.198 313 E C 1.567 178.212 176.600 0.074 0.000 1.007 313 E CA 0.933 57.387 56.400 0.090 0.000 0.845 313 E CB -1.172 28.577 29.700 0.082 0.000 0.766 313 E HN 0.333 nan 8.360 nan 0.000 0.507 314 L N 1.252 122.528 121.223 0.088 0.000 2.552 314 L HA 0.055 4.399 4.340 0.007 0.000 0.227 314 L C 0.876 177.770 176.870 0.039 0.000 1.146 314 L CA -0.103 54.766 54.840 0.048 0.000 0.858 314 L CB -0.207 41.877 42.059 0.043 0.000 0.969 314 L HN -0.125 nan 8.230 nan 0.000 0.451 315 S N 0.593 116.334 115.700 0.068 0.000 2.575 315 S HA 0.238 4.712 4.470 0.007 0.000 0.295 315 S C 1.248 175.876 174.600 0.047 0.000 1.267 315 S CA 0.770 59.014 58.200 0.073 0.000 1.074 315 S CB 0.648 63.918 63.200 0.116 0.000 0.829 315 S HN 0.630 nan 8.310 nan 0.000 0.497 316 G N 3.443 112.263 108.800 0.033 0.000 2.241 316 G HA2 -0.228 3.736 3.960 0.007 0.000 0.244 316 G HA3 -0.228 3.736 3.960 0.007 0.000 0.244 316 G C 0.173 175.073 174.900 0.001 0.000 0.998 316 G CA -0.246 44.866 45.100 0.020 0.000 0.621 316 G HN 0.631 nan 8.290 nan 0.000 0.519 317 R N 0.995 121.491 120.500 -0.006 0.000 2.615 317 R HA 0.354 4.698 4.340 0.007 0.000 0.270 317 R C -0.317 175.966 176.300 -0.029 0.000 1.081 317 R CA -0.246 55.843 56.100 -0.018 0.000 1.154 317 R CB 0.501 30.790 30.300 -0.019 0.000 1.063 317 R HN 0.325 nan 8.270 nan 0.000 0.519 318 D N 1.995 122.374 120.400 -0.034 0.000 2.317 318 D HA -0.030 4.614 4.640 0.007 0.000 0.252 318 D C 0.858 177.138 176.300 -0.033 0.000 1.174 318 D CA -0.239 53.738 54.000 -0.038 0.000 0.866 318 D CB 1.231 42.004 40.800 -0.046 0.000 1.127 318 D HN 0.221 nan 8.370 nan 0.000 0.467 319 L N 4.966 126.172 121.223 -0.029 0.000 2.141 319 L HA -0.132 4.212 4.340 0.007 0.000 0.209 319 L C 2.093 178.956 176.870 -0.012 0.000 1.094 319 L CA 1.742 56.569 54.840 -0.022 0.000 0.763 319 L CB -0.573 41.480 42.059 -0.010 0.000 0.908 319 L HN 0.523 nan 8.230 nan 0.000 0.437 320 E N -0.012 120.183 120.200 -0.008 0.000 2.077 320 E HA -0.272 4.082 4.350 0.007 0.000 0.193 320 E C 2.114 178.704 176.600 -0.017 0.000 0.989 320 E CA 1.800 58.196 56.400 -0.006 0.000 0.800 320 E CB -0.219 29.476 29.700 -0.009 0.000 0.746 320 E HN 0.620 nan 8.360 nan 0.000 0.452 321 E N -0.320 119.865 120.200 -0.026 0.000 2.051 321 E HA -0.153 4.201 4.350 0.007 0.000 0.192 321 E C 2.151 178.730 176.600 -0.035 0.000 0.991 321 E CA 1.366 57.748 56.400 -0.030 0.000 0.799 321 E CB -0.159 29.522 29.700 -0.032 0.000 0.748 321 E HN 0.367 nan 8.360 nan 0.000 0.449 322 I N 0.751 121.297 120.570 -0.040 0.000 2.163 322 I HA -0.304 3.870 4.170 0.007 0.000 0.243 322 I C 2.526 178.612 176.117 -0.052 0.000 1.085 322 I CA 1.149 62.416 61.300 -0.055 0.000 1.347 322 I CB -0.325 37.638 38.000 -0.062 0.000 1.044 322 I HN 0.154 nan 8.210 nan 0.000 0.408 323 A N 0.669 123.469 122.820 -0.034 0.000 1.858 323 A HA -0.162 4.162 4.320 0.007 0.000 0.216 323 A C 2.549 180.121 177.584 -0.020 0.000 1.190 323 A CA 1.899 53.923 52.037 -0.022 0.000 0.617 323 A CB -0.994 18.006 19.000 0.000 0.000 0.827 323 A HN 0.429 nan 8.150 nan 0.000 0.443 324 A N -0.164 122.645 122.820 -0.018 0.000 1.908 324 A HA -0.197 4.127 4.320 0.007 0.000 0.218 324 A C 1.880 179.451 177.584 -0.023 0.000 1.181 324 A CA 1.698 53.725 52.037 -0.017 0.000 0.627 324 A CB -0.582 18.408 19.000 -0.016 0.000 0.818 324 A HN 0.655 nan 8.150 nan 0.000 0.445 325 E N -0.769 119.412 120.200 -0.031 0.000 2.268 325 E HA -0.105 4.249 4.350 0.007 0.000 0.195 325 E C 1.746 178.321 176.600 -0.041 0.000 0.995 325 E CA 0.579 56.957 56.400 -0.036 0.000 0.836 325 E CB -0.079 29.595 29.700 -0.042 0.000 0.763 325 E HN 0.512 nan 8.360 nan 0.000 0.491 326 R N -0.393 120.080 120.500 -0.045 0.000 2.317 326 R HA 0.078 4.422 4.340 0.007 0.000 0.208 326 R C 0.820 177.103 176.300 -0.027 0.000 0.914 326 R CA 0.437 56.509 56.100 -0.047 0.000 1.060 326 R CB 0.624 30.885 30.300 -0.065 0.000 1.015 326 R HN 0.183 nan 8.270 nan 0.000 0.498 327 G N 1.797 110.585 108.800 -0.020 0.000 2.160 327 G HA2 -0.314 3.650 3.960 0.007 0.000 0.251 327 G HA3 -0.314 3.650 3.960 0.007 0.000 0.251 327 G C -0.217 174.682 174.900 -0.003 0.000 1.008 327 G CA 0.473 45.566 45.100 -0.011 0.000 0.724 327 G HN 0.290 nan 8.290 nan 0.000 0.514 328 K N -0.343 120.057 120.400 -0.001 0.000 2.444 328 K HA 0.681 5.005 4.320 0.007 0.000 0.252 328 K C 0.502 177.115 176.600 0.021 0.000 0.993 328 K CA -0.260 56.035 56.287 0.013 0.000 0.847 328 K CB 1.668 34.177 32.500 0.015 0.000 1.340 328 K HN 0.373 nan 8.250 nan 0.000 0.446 329 S N 0.066 115.792 115.700 0.042 0.000 2.614 329 S HA 0.154 4.628 4.470 0.007 0.000 0.265 329 S C 0.861 175.505 174.600 0.074 0.000 1.303 329 S CA -0.455 57.778 58.200 0.056 0.000 1.000 329 S CB 1.063 64.307 63.200 0.074 0.000 0.935 329 S HN 0.588 nan 8.310 nan 0.000 0.551 330 K N -0.147 120.302 120.400 0.082 0.000 2.063 330 K HA -0.169 4.155 4.320 0.007 0.000 0.208 330 K C 1.854 178.525 176.600 0.118 0.000 1.048 330 K CA 1.863 58.202 56.287 0.085 0.000 0.928 330 K CB -0.517 32.043 32.500 0.100 0.000 0.713 330 K HN 0.709 nan 8.250 nan 0.000 0.442 331 Y N 2.304 122.616 120.300 0.020 0.000 2.165 331 Y HA -0.269 4.285 4.550 0.006 0.000 0.286 331 Y C 1.663 177.569 175.900 0.011 0.000 1.155 331 Y CA 1.748 59.858 58.100 0.017 0.000 1.164 331 Y CB -0.001 38.465 38.460 0.009 0.000 0.978 331 Y HN 0.097 nan 8.280 nan 0.000 0.513 332 D N -1.054 119.468 120.400 0.204 0.000 2.277 332 D HA -0.129 4.515 4.640 0.007 0.000 0.208 332 D C 2.125 178.435 176.300 0.016 0.000 0.962 332 D CA 0.923 54.985 54.000 0.104 0.000 0.865 332 D CB -0.191 40.679 40.800 0.116 0.000 0.939 332 D HN 0.338 nan 8.370 nan 0.000 0.510 333 V N 0.243 120.163 119.914 0.011 0.000 3.129 333 V HA -0.098 4.026 4.120 0.007 0.000 0.259 333 V C 2.188 178.265 176.094 -0.029 0.000 1.116 333 V CA 0.526 62.819 62.300 -0.011 0.000 1.127 333 V CB 0.101 31.916 31.823 -0.014 0.000 0.742 333 V HN -0.041 nan 8.190 nan 0.000 0.474 334 V N 1.293 121.175 119.914 -0.054 0.000 2.282 334 V HA -0.174 3.950 4.120 0.007 0.000 0.249 334 V C 0.177 176.235 176.094 -0.061 0.000 1.057 334 V CA 2.871 65.130 62.300 -0.068 0.000 1.032 334 V CB -1.656 30.100 31.823 -0.113 0.000 0.645 334 V HN 0.523 nan 8.190 nan 0.000 0.447 335 P HA -0.211 nan 4.420 nan 0.000 0.216 335 P C 1.584 178.882 177.300 -0.004 0.000 1.153 335 P CA 1.768 64.840 63.100 -0.046 0.000 0.858 335 P CB -0.160 31.510 31.700 -0.051 0.000 0.789 336 E N -0.149 120.062 120.200 0.019 0.000 2.418 336 E HA -0.092 4.262 4.350 0.007 0.000 0.197 336 E C 1.384 178.077 176.600 0.155 0.000 1.026 336 E CA 0.753 57.200 56.400 0.078 0.000 0.862 336 E CB -0.773 28.973 29.700 0.076 0.000 0.799 336 E HN 0.285 nan 8.360 nan 0.000 0.518 337 L N 0.529 121.808 121.223 0.093 0.000 2.616 337 L HA 0.172 4.516 4.340 0.007 0.000 0.229 337 L C 0.972 177.863 176.870 0.034 0.000 1.110 337 L CA -0.169 54.745 54.840 0.125 0.000 0.884 337 L CB 0.074 42.160 42.059 0.045 0.000 1.115 337 L HN 0.043 nan 8.230 nan 0.000 0.481 338 Q N 1.967 121.766 119.800 -0.002 0.000 2.340 338 Q HA 0.236 4.580 4.340 0.007 0.000 0.249 338 Q C -2.093 173.902 176.000 -0.008 0.000 0.957 338 Q CA -1.776 54.005 55.803 -0.035 0.000 0.882 338 Q CB 0.773 29.488 28.738 -0.038 0.000 1.235 338 Q HN -0.029 nan 8.270 nan 0.000 0.439 339 P HA 0.378 nan 4.420 nan 0.000 0.282 339 P C -1.489 175.695 177.300 -0.194 0.000 1.249 339 P CA -0.163 62.932 63.100 -0.008 0.000 0.806 339 P CB 1.392 33.182 31.700 0.150 0.000 0.984 340 A N 1.328 123.795 122.820 -0.588 0.000 2.581 340 A HA 0.804 5.128 4.320 0.007 0.000 0.290 340 A C -0.789 175.917 177.584 -1.463 0.000 1.119 340 A CA -0.338 50.968 52.037 -1.219 0.000 0.670 340 A CB 1.245 19.922 19.000 -0.538 0.000 1.280 340 A HN 0.629 nan 8.150 nan 0.000 0.425 341 G N -1.366 106.419 108.800 -1.692 0.000 2.533 341 G HA2 0.899 4.863 3.960 0.007 0.000 0.304 341 G HA3 0.899 4.863 3.960 0.007 0.000 0.304 341 G C -0.553 174.052 174.900 -0.492 0.000 1.263 341 G CA 0.051 44.614 45.100 -0.896 0.000 0.964 341 G HN 2.058 nan 8.290 nan 0.000 0.479 342 A N -0.105 122.517 122.820 -0.329 0.000 2.602 342 A HA 0.804 5.128 4.320 0.007 0.000 0.290 342 A C -1.400 175.881 177.584 -0.505 0.000 1.114 342 A CA -0.611 51.144 52.037 -0.470 0.000 0.683 342 A CB 1.174 19.731 19.000 -0.740 0.000 1.281 342 A HN 0.686 nan 8.150 nan 0.000 0.416 343 I N 0.670 120.950 120.570 -0.484 0.000 2.433 343 I HA 0.446 4.620 4.170 0.007 0.000 0.292 343 I C -1.586 174.282 176.117 -0.416 0.000 1.001 343 I CA -0.413 60.693 61.300 -0.323 0.000 1.119 343 I CB 1.653 39.561 38.000 -0.154 0.000 1.289 343 I HN 0.600 nan 8.210 nan 0.000 0.438 344 Y N 5.493 125.751 120.300 -0.070 0.000 2.326 344 Y HA 0.386 4.940 4.550 0.006 0.000 0.331 344 Y C -0.490 175.351 175.900 -0.098 0.000 0.962 344 Y CA -0.732 57.365 58.100 -0.005 0.000 1.167 344 Y CB 0.964 39.450 38.460 0.042 0.000 1.148 344 Y HN 0.335 nan 8.280 nan 0.000 0.463 345 F N 5.231 125.250 119.950 0.116 0.000 2.567 345 F HA 0.154 4.685 4.527 0.006 0.000 0.352 345 F C 0.470 176.351 175.800 0.134 0.000 1.229 345 F CA -0.537 57.501 58.000 0.063 0.000 1.228 345 F CB 0.267 39.238 39.000 -0.048 0.000 1.568 345 F HN 0.498 nan 8.300 nan 0.000 0.634 346 M N -0.131 119.614 119.600 0.243 0.000 2.504 346 M HA 0.436 4.920 4.480 0.007 0.000 0.370 346 M C -0.622 175.867 176.300 0.315 0.000 1.110 346 M CA 0.181 55.636 55.300 0.259 0.000 0.938 346 M CB -0.005 32.692 32.600 0.163 0.000 1.460 346 M HN 0.152 nan 8.290 nan 0.000 0.535 347 M N -0.240 119.480 119.600 0.200 0.000 2.821 347 M HA 0.621 5.105 4.480 0.007 0.000 0.304 347 M C -1.240 174.874 176.300 -0.309 0.000 1.233 347 M CA -0.645 54.662 55.300 0.011 0.000 0.851 347 M CB 1.976 34.558 32.600 -0.031 0.000 1.723 347 M HN 0.024 nan 8.290 nan 0.000 0.493 348 D N -0.092 119.909 120.400 -0.666 0.000 2.498 348 D HA 0.201 4.845 4.640 0.007 0.000 0.247 348 D C 0.276 176.375 176.300 -0.335 0.000 1.070 348 D CA -0.204 53.348 54.000 -0.747 0.000 0.842 348 D CB 1.789 41.697 40.800 -1.486 0.000 1.361 348 D HN 0.606 nan 8.370 nan 0.000 0.484 349 E N 3.121 123.218 120.200 -0.172 0.000 2.114 349 E HA -0.135 4.219 4.350 0.007 0.000 0.199 349 E C -1.167 175.387 176.600 -0.077 0.000 1.008 349 E CA 1.913 58.278 56.400 -0.059 0.000 0.810 349 E CB -0.577 29.133 29.700 0.017 0.000 0.739 349 E HN 0.407 nan 8.360 nan 0.000 0.456 350 P HA -0.104 nan 4.420 nan 0.000 0.216 350 P C 0.623 177.863 177.300 -0.100 0.000 1.150 350 P CA 1.603 64.655 63.100 -0.081 0.000 0.837 350 P CB -0.005 31.652 31.700 -0.071 0.000 0.786 351 D N -0.873 119.439 120.400 -0.146 0.000 2.117 351 D HA -0.088 4.556 4.640 0.007 0.000 0.198 351 D C 2.045 178.253 176.300 -0.153 0.000 0.982 351 D CA 1.039 54.951 54.000 -0.147 0.000 0.828 351 D CB -0.561 40.129 40.800 -0.182 0.000 0.967 351 D HN -0.023 nan 8.370 nan 0.000 0.464 352 V N 1.370 121.187 119.914 -0.160 0.000 2.287 352 V HA -0.264 3.860 4.120 0.007 0.000 0.248 352 V C 2.546 178.529 176.094 -0.185 0.000 1.053 352 V CA 1.629 63.826 62.300 -0.171 0.000 1.027 352 V CB -0.524 31.224 31.823 -0.125 0.000 0.646 352 V HN 0.198 nan 8.190 nan 0.000 0.447 353 Q N -0.504 119.203 119.800 -0.156 0.000 2.084 353 Q HA -0.236 4.108 4.340 0.007 0.000 0.202 353 Q C 2.509 178.443 176.000 -0.110 0.000 0.978 353 Q CA 1.742 57.438 55.803 -0.179 0.000 0.844 353 Q CB -0.266 28.414 28.738 -0.096 0.000 0.898 353 Q HN 0.530 nan 8.270 nan 0.000 0.426 354 R N 0.691 121.150 120.500 -0.069 0.000 2.081 354 R HA -0.138 4.206 4.340 0.007 0.000 0.235 354 R C 2.121 178.439 176.300 0.029 0.000 1.131 354 R CA 1.206 57.297 56.100 -0.015 0.000 0.960 354 R CB -0.147 30.136 30.300 -0.029 0.000 0.856 354 R HN 0.239 nan 8.270 nan 0.000 0.436 355 I N 0.619 121.176 120.570 -0.022 0.000 2.252 355 I HA -0.284 3.890 4.170 0.007 0.000 0.245 355 I C 2.148 178.324 176.117 0.100 0.000 1.102 355 I CA 1.033 62.349 61.300 0.025 0.000 1.385 355 I CB -0.154 37.806 38.000 -0.066 0.000 1.064 355 I HN 0.227 nan 8.210 nan 0.000 0.414 356 L N 0.486 121.718 121.223 0.015 0.000 2.046 356 L HA -0.198 4.146 4.340 0.007 0.000 0.208 356 L C 2.741 179.787 176.870 0.292 0.000 1.077 356 L CA 1.421 56.310 54.840 0.082 0.000 0.747 356 L CB -0.646 41.367 42.059 -0.077 0.000 0.896 356 L HN 0.241 nan 8.230 nan 0.000 0.432 357 A N -0.474 122.483 122.820 0.229 0.000 2.016 357 A HA -0.130 4.194 4.320 0.007 0.000 0.217 357 A C 0.986 178.751 177.584 0.302 0.000 1.162 357 A CA -0.124 52.096 52.037 0.304 0.000 0.662 357 A CB -0.534 18.530 19.000 0.108 0.000 0.812 357 A HN 0.265 nan 8.150 nan 0.000 0.450 358 F N 1.809 121.826 119.950 0.111 0.000 2.580 358 F HA 0.293 4.820 4.527 -0.001 0.000 0.398 358 F C 1.483 177.360 175.800 0.128 0.000 1.023 358 F CA -0.110 57.949 58.000 0.097 0.000 1.188 358 F CB 0.127 39.173 39.000 0.077 0.000 1.005 358 F HN 0.126 nan 8.300 nan 0.000 0.546 359 G N 6.006 114.612 108.800 -0.324 0.000 2.681 359 G HA2 -0.295 3.669 3.960 0.007 0.000 0.220 359 G HA3 -0.295 3.669 3.960 0.007 0.000 0.220 359 G C -0.861 174.002 174.900 -0.061 0.000 1.210 359 G CA 0.974 45.966 45.100 -0.179 0.000 0.783 359 G HN 0.627 nan 8.290 nan 0.000 0.609 360 P HA 0.104 nan 4.420 nan 0.000 0.234 360 P C 0.462 177.749 177.300 -0.023 0.000 1.167 360 P CA 0.607 63.643 63.100 -0.106 0.000 0.763 360 P CB -0.057 31.554 31.700 -0.149 0.000 0.835 361 T N 1.662 116.262 114.554 0.076 0.000 2.817 361 T HA 0.164 4.518 4.350 0.007 0.000 0.295 361 T C 0.578 175.266 174.700 -0.020 0.000 0.958 361 T CA 0.362 62.526 62.100 0.107 0.000 1.157 361 T CB -0.169 68.817 68.868 0.196 0.000 0.898 361 T HN -0.031 nan 8.240 nan 0.000 0.536 362 M N 3.369 122.951 119.600 -0.029 0.000 2.291 362 M HA 0.430 4.914 4.480 0.007 0.000 0.324 362 M C -0.058 176.243 176.300 0.002 0.000 1.148 362 M CA -0.903 54.363 55.300 -0.056 0.000 1.104 362 M CB 0.745 33.350 32.600 0.008 0.000 1.483 362 M HN 0.263 nan 8.290 nan 0.000 0.467 363 I N 1.326 121.906 120.570 0.018 0.000 2.353 363 I HA 0.517 4.691 4.170 0.007 0.000 0.293 363 I C 0.425 176.620 176.117 0.130 0.000 0.992 363 I CA -0.280 61.029 61.300 0.014 0.000 1.268 363 I CB 0.479 38.440 38.000 -0.065 0.000 1.387 363 I HN 0.751 nan 8.210 nan 0.000 0.478 364 G N 3.155 112.004 108.800 0.082 0.000 2.687 364 G HA2 0.446 4.410 3.960 0.007 0.000 0.301 364 G HA3 0.446 4.410 3.960 0.007 0.000 0.301 364 G C 0.210 175.182 174.900 0.121 0.000 1.416 364 G CA -0.305 44.912 45.100 0.194 0.000 1.005 364 G HN 0.546 nan 8.290 nan 0.000 0.509 365 S N 1.110 116.881 115.700 0.118 0.000 2.414 365 S HA 0.004 4.478 4.470 0.007 0.000 0.227 365 S C 1.196 175.787 174.600 -0.015 0.000 1.022 365 S CA 0.790 58.998 58.200 0.012 0.000 0.958 365 S CB -0.083 63.137 63.200 0.033 0.000 0.797 365 S HN 0.816 nan 8.310 nan 0.000 0.493 366 D N 1.319 121.802 120.400 0.139 0.000 2.837 366 D HA -0.109 4.535 4.640 0.007 0.000 0.230 366 D C 0.298 176.608 176.300 0.018 0.000 1.152 366 D CA 0.837 54.963 54.000 0.209 0.000 0.736 366 D CB -1.488 39.341 40.800 0.049 0.000 1.084 366 D HN 0.479 nan 8.370 nan 0.000 0.429 367 G N 0.100 108.879 108.800 -0.034 0.000 2.491 367 G HA2 0.426 4.390 3.960 0.007 0.000 0.242 367 G HA3 0.426 4.390 3.960 0.007 0.000 0.242 367 G C 0.325 175.206 174.900 -0.031 0.000 1.266 367 G CA -0.466 44.567 45.100 -0.111 0.000 0.844 367 G HN 0.315 nan 8.290 nan 0.000 0.571 368 L N 4.238 125.430 121.223 -0.051 0.000 2.356 368 L HA 0.256 4.600 4.340 0.007 0.000 0.264 368 L C -1.295 175.509 176.870 -0.111 0.000 1.029 368 L CA -1.689 53.153 54.840 0.003 0.000 0.897 368 L CB 2.363 44.464 42.059 0.070 0.000 1.256 368 L HN 0.477 nan 8.230 nan 0.000 0.444 369 P HA -0.134 nan 4.420 nan 0.000 0.226 369 P C 0.770 177.764 177.300 -0.509 0.000 1.153 369 P CA 1.276 63.987 63.100 -0.649 0.000 0.777 369 P CB 0.202 31.116 31.700 -1.310 0.000 0.794 370 H N -1.472 117.570 119.070 -0.047 0.000 2.553 370 H HA 0.145 4.705 4.556 0.007 0.000 0.265 370 H C 0.164 175.454 175.328 -0.064 0.000 0.964 370 H CA -0.275 55.773 56.048 0.000 0.000 1.156 370 H CB -0.324 29.423 29.762 -0.026 0.000 1.411 370 H HN 0.092 nan 8.280 nan 0.000 0.558 371 D N 0.738 121.168 120.400 0.050 0.000 2.424 371 D HA -0.055 4.589 4.640 0.007 0.000 0.244 371 D C 1.490 177.867 176.300 0.129 0.000 1.134 371 D CA 0.164 54.236 54.000 0.121 0.000 0.881 371 D CB 1.131 42.060 40.800 0.216 0.000 1.191 371 D HN 0.317 nan 8.370 nan 0.000 0.445 372 E N 2.079 122.381 120.200 0.171 0.000 2.051 372 E HA -0.140 4.214 4.350 0.007 0.000 0.192 372 E C -0.021 176.654 176.600 0.125 0.000 0.991 372 E CA 1.228 57.714 56.400 0.142 0.000 0.799 372 E CB 0.369 30.171 29.700 0.169 0.000 0.748 372 E HN 0.114 nan 8.360 nan 0.000 0.449 373 R N 1.198 121.784 120.500 0.144 0.000 2.494 373 R HA 0.340 4.684 4.340 0.007 0.000 0.284 373 R C -2.457 173.911 176.300 0.113 0.000 1.525 373 R CA -2.262 53.898 56.100 0.100 0.000 1.460 373 R CB 0.941 31.290 30.300 0.081 0.000 1.134 373 R HN 0.283 nan 8.270 nan 0.000 0.592 374 P HA 0.049 nan 4.420 nan 0.000 0.276 374 P C -0.320 177.038 177.300 0.096 0.000 1.252 374 P CA -0.380 62.790 63.100 0.116 0.000 0.802 374 P CB 0.824 32.595 31.700 0.118 0.000 1.035 375 H N 3.314 122.363 119.070 -0.036 0.000 2.886 375 H HA 0.049 4.609 4.556 0.006 0.000 0.329 375 H C -1.287 173.885 175.328 -0.259 0.000 1.044 375 H CA -1.419 54.548 56.048 -0.135 0.000 1.456 375 H CB 0.554 30.197 29.762 -0.199 0.000 1.464 375 H HN 0.244 nan 8.280 nan 0.000 0.573 376 P HA -0.176 nan 4.420 nan 0.000 0.223 376 P C 1.148 178.350 177.300 -0.163 0.000 1.144 376 P CA 1.020 63.989 63.100 -0.219 0.000 0.783 376 P CB 0.011 31.432 31.700 -0.465 0.000 0.771 377 R N 0.066 120.347 120.500 -0.364 0.000 2.159 377 R HA -0.122 4.222 4.340 0.007 0.000 0.237 377 R C 2.139 178.349 176.300 -0.150 0.000 1.131 377 R CA 1.012 56.843 56.100 -0.449 0.000 0.982 377 R CB -1.673 28.118 30.300 -0.848 0.000 0.868 377 R HN 0.150 nan 8.270 nan 0.000 0.453 378 L N -0.072 121.079 121.223 -0.120 0.000 2.127 378 L HA -0.085 4.259 4.340 0.007 0.000 0.211 378 L C 1.040 177.783 176.870 -0.212 0.000 1.089 378 L CA 1.665 56.413 54.840 -0.155 0.000 0.757 378 L CB -0.265 41.723 42.059 -0.118 0.000 0.899 378 L HN 0.252 nan 8.230 nan 0.000 0.434 379 W N -2.163 119.093 121.300 -0.074 0.000 2.975 379 W HA 0.417 5.080 4.660 0.006 0.000 0.316 379 W C 1.894 178.421 176.519 0.013 0.000 1.131 379 W CA 0.312 57.632 57.345 -0.041 0.000 1.624 379 W CB 0.245 29.675 29.460 -0.050 0.000 1.038 379 W HN 0.119 nan 8.180 nan 0.000 0.571 380 G N -1.246 107.700 108.800 0.244 0.000 3.342 380 G HA2 0.020 3.984 3.960 0.007 0.000 0.252 380 G HA3 0.020 3.984 3.960 0.007 0.000 0.252 380 G C 1.185 176.202 174.900 0.195 0.000 1.011 380 G CA 0.500 45.738 45.100 0.229 0.000 0.869 380 G HN -0.069 nan 8.290 nan 0.000 0.514 381 T N 1.472 116.112 114.554 0.143 0.000 2.597 381 T HA -0.190 4.164 4.350 0.007 0.000 0.267 381 T C 1.930 176.438 174.700 -0.321 0.000 1.053 381 T CA 1.629 63.682 62.100 -0.078 0.000 1.165 381 T CB -0.351 68.304 68.868 -0.355 0.000 0.863 381 T HN 0.229 nan 8.240 nan 0.000 0.427 382 F N 1.060 121.017 119.950 0.012 0.000 2.113 382 F HA 0.074 4.605 4.527 0.007 0.000 0.297 382 F C -0.525 175.188 175.800 -0.144 0.000 1.103 382 F CA 0.536 58.456 58.000 -0.134 0.000 1.248 382 F CB -1.758 37.132 39.000 -0.183 0.000 0.999 382 F HN 0.209 nan 8.300 nan 0.000 0.475 383 P HA -0.130 nan 4.420 nan 0.000 0.221 383 P C 1.398 178.722 177.300 0.040 0.000 1.150 383 P CA 1.313 64.437 63.100 0.040 0.000 0.800 383 P CB -0.106 31.653 31.700 0.097 0.000 0.787 384 R N -0.136 120.387 120.500 0.039 0.000 2.096 384 R HA -0.088 4.256 4.340 0.007 0.000 0.235 384 R C 1.745 178.142 176.300 0.162 0.000 1.127 384 R CA 1.282 57.410 56.100 0.046 0.000 0.968 384 R CB -0.721 29.549 30.300 -0.050 0.000 0.861 384 R HN 0.008 nan 8.270 nan 0.000 0.440 385 V N 0.999 120.989 119.914 0.127 0.000 2.379 385 V HA -0.199 3.925 4.120 0.007 0.000 0.245 385 V C 2.235 178.464 176.094 0.224 0.000 1.044 385 V CA 1.528 63.969 62.300 0.234 0.000 1.036 385 V CB -0.278 31.570 31.823 0.042 0.000 0.664 385 V HN 0.325 nan 8.190 nan 0.000 0.453 386 L N -0.135 121.120 121.223 0.054 0.000 2.109 386 L HA 0.033 4.377 4.340 0.007 0.000 0.207 386 L C 2.350 179.287 176.870 0.111 0.000 1.086 386 L CA 1.569 56.431 54.840 0.036 0.000 0.760 386 L CB -0.897 41.052 42.059 -0.184 0.000 0.910 386 L HN 0.457 nan 8.230 nan 0.000 0.437 387 G N -1.463 107.396 108.800 0.098 0.000 2.695 387 G HA2 -0.187 3.777 3.960 0.007 0.000 0.219 387 G HA3 -0.187 3.777 3.960 0.007 0.000 0.219 387 G C 1.248 176.196 174.900 0.080 0.000 1.295 387 G CA 0.489 45.651 45.100 0.103 0.000 0.882 387 G HN 0.257 nan 8.290 nan 0.000 0.570 388 H N -0.304 118.727 119.070 -0.064 0.000 2.265 388 H HA -0.127 4.435 4.556 0.009 0.000 0.295 388 H C 2.304 177.477 175.328 -0.260 0.000 1.084 388 H CA 2.181 58.102 56.048 -0.210 0.000 1.261 388 H CB -0.336 29.198 29.762 -0.379 0.000 1.360 388 H HN 0.378 nan 8.280 nan 0.000 0.487 389 Y N -0.782 119.472 120.300 -0.076 0.000 2.206 389 Y HA -0.084 4.469 4.550 0.004 0.000 0.292 389 Y C 3.243 179.039 175.900 -0.174 0.000 1.123 389 Y CA 1.381 59.358 58.100 -0.206 0.000 1.142 389 Y CB -0.776 37.629 38.460 -0.091 0.000 1.006 389 Y HN 0.258 nan 8.280 nan 0.000 0.518 390 S N -0.209 115.626 115.700 0.224 0.000 2.335 390 S HA -0.147 4.327 4.470 0.007 0.000 0.217 390 S C 2.293 176.959 174.600 0.110 0.000 1.032 390 S CA 1.209 59.558 58.200 0.248 0.000 0.985 390 S CB -0.220 63.217 63.200 0.394 0.000 0.896 390 S HN 0.386 nan 8.310 nan 0.000 0.445 391 R N 0.320 120.880 120.500 0.099 0.000 2.057 391 R HA -0.061 4.283 4.340 0.007 0.000 0.229 391 R C 1.589 177.892 176.300 0.005 0.000 1.136 391 R CA 1.964 58.104 56.100 0.068 0.000 0.952 391 R CB -0.477 29.879 30.300 0.094 0.000 0.848 391 R HN 0.391 nan 8.270 nan 0.000 0.430 392 D N 0.323 120.695 120.400 -0.047 0.000 2.162 392 D HA -0.074 4.570 4.640 0.007 0.000 0.203 392 D C 1.851 178.061 176.300 -0.150 0.000 0.967 392 D CA 0.982 54.928 54.000 -0.091 0.000 0.840 392 D CB 0.128 40.871 40.800 -0.095 0.000 0.972 392 D HN 0.296 nan 8.370 nan 0.000 0.482 393 L N -0.540 120.543 121.223 -0.233 0.000 2.554 393 L HA 0.223 4.567 4.340 0.007 0.000 0.225 393 L C 1.186 177.974 176.870 -0.136 0.000 1.104 393 L CA 0.269 54.980 54.840 -0.214 0.000 0.866 393 L CB 0.196 42.066 42.059 -0.315 0.000 1.047 393 L HN 0.066 nan 8.230 nan 0.000 0.468 394 G N 1.067 109.803 108.800 -0.105 0.000 2.221 394 G HA2 -0.316 3.648 3.960 0.007 0.000 0.265 394 G HA3 -0.316 3.648 3.960 0.007 0.000 0.265 394 G C 0.733 175.552 174.900 -0.135 0.000 1.041 394 G CA 0.535 45.593 45.100 -0.070 0.000 0.807 394 G HN 0.272 nan 8.290 nan 0.000 0.502 395 L N -0.819 120.226 121.223 -0.298 0.000 2.201 395 L HA 0.390 4.734 4.340 0.007 0.000 0.212 395 L C 0.880 177.424 176.870 -0.543 0.000 1.105 395 L CA 2.021 56.534 54.840 -0.545 0.000 0.775 395 L CB -0.237 41.271 42.059 -0.919 0.000 0.913 395 L HN 0.629 nan 8.230 nan 0.000 0.440 396 F N -3.702 116.276 119.950 0.047 0.000 2.719 396 F HA 0.610 5.141 4.527 0.007 0.000 0.309 396 F C -2.785 173.047 175.800 0.053 0.000 1.138 396 F CA -3.135 54.892 58.000 0.046 0.000 0.943 396 F CB -0.462 38.573 39.000 0.059 0.000 1.304 396 F HN -0.368 nan 8.300 nan 0.000 0.445 397 P HA 0.122 nan 4.420 nan 0.000 0.274 397 P C 0.812 178.240 177.300 0.215 0.000 1.246 397 P CA -0.308 62.910 63.100 0.197 0.000 0.795 397 P CB 1.380 33.151 31.700 0.118 0.000 1.006 398 L N 1.683 123.017 121.223 0.186 0.000 2.079 398 L HA -0.211 4.133 4.340 0.007 0.000 0.210 398 L C 2.320 179.292 176.870 0.171 0.000 1.081 398 L CA 2.006 56.965 54.840 0.199 0.000 0.752 398 L CB -1.266 40.923 42.059 0.217 0.000 0.896 398 L HN 0.466 nan 8.230 nan 0.000 0.433 399 E N -1.996 118.286 120.200 0.137 0.000 2.204 399 E HA -0.185 4.169 4.350 0.007 0.000 0.194 399 E C 1.747 178.422 176.600 0.125 0.000 0.989 399 E CA 1.732 58.208 56.400 0.126 0.000 0.824 399 E CB -0.943 28.802 29.700 0.076 0.000 0.756 399 E HN 0.487 nan 8.360 nan 0.000 0.477 400 T N 1.323 115.928 114.554 0.085 0.000 2.851 400 T HA 0.116 4.470 4.350 0.007 0.000 0.262 400 T C 2.041 176.726 174.700 -0.025 0.000 1.043 400 T CA 1.400 63.546 62.100 0.077 0.000 1.140 400 T CB -0.220 68.674 68.868 0.044 0.000 0.872 400 T HN 0.403 nan 8.240 nan 0.000 0.446 401 A N 1.154 123.858 122.820 -0.193 0.000 1.908 401 A HA -0.066 4.258 4.320 0.007 0.000 0.218 401 A C 2.555 180.054 177.584 -0.142 0.000 1.181 401 A CA 1.391 53.197 52.037 -0.386 0.000 0.627 401 A CB -1.079 17.820 19.000 -0.169 0.000 0.818 401 A HN 0.341 nan 8.150 nan 0.000 0.445 402 V N -2.043 117.888 119.914 0.029 0.000 2.358 402 V HA -0.250 3.874 4.120 0.007 0.000 0.246 402 V C 2.187 178.366 176.094 0.142 0.000 1.047 402 V CA 1.877 64.239 62.300 0.103 0.000 1.035 402 V CB -0.939 31.039 31.823 0.259 0.000 0.658 402 V HN 0.886 nan 8.190 nan 0.000 0.452 403 W N 1.511 122.802 121.300 -0.014 0.000 2.338 403 W HA -0.208 4.456 4.660 0.007 0.000 0.304 403 W C 2.274 178.780 176.519 -0.022 0.000 1.212 403 W CA 1.726 59.068 57.345 -0.004 0.000 1.264 403 W CB -0.168 29.278 29.460 -0.023 0.000 1.142 403 W HN 0.091 nan 8.180 nan 0.000 0.512 404 K N -0.084 120.227 120.400 -0.148 0.000 2.442 404 K HA -0.121 4.203 4.320 0.007 0.000 0.198 404 K C 1.561 178.021 176.600 -0.233 0.000 1.044 404 K CA 1.447 57.519 56.287 -0.359 0.000 0.948 404 K CB -0.364 31.979 32.500 -0.262 0.000 0.762 404 K HN 0.435 nan 8.250 nan 0.000 0.472 405 M N -2.602 116.922 119.600 -0.128 0.000 2.416 405 M HA 0.188 4.671 4.480 0.007 0.000 0.337 405 M C 0.648 176.969 176.300 0.035 0.000 1.074 405 M CA -0.174 55.122 55.300 -0.006 0.000 0.968 405 M CB 0.801 33.415 32.600 0.022 0.000 1.472 405 M HN -0.077 nan 8.290 nan 0.000 0.539 406 T N -3.484 111.065 114.554 -0.009 0.000 3.359 406 T HA 0.377 4.730 4.350 0.007 0.000 0.160 406 T C 1.683 176.386 174.700 0.004 0.000 0.924 406 T CA 0.685 62.825 62.100 0.067 0.000 0.951 406 T CB -0.727 68.249 68.868 0.179 0.000 1.404 406 T HN 0.173 nan 8.240 nan 0.000 0.309 407 G N 1.542 110.352 108.800 0.017 0.000 2.422 407 G HA2 -0.047 3.917 3.960 0.007 0.000 0.218 407 G HA3 -0.047 3.917 3.960 0.007 0.000 0.218 407 G C 1.527 176.349 174.900 -0.130 0.000 1.146 407 G CA 1.242 46.374 45.100 0.054 0.000 0.769 407 G HN 0.481 nan 8.290 nan 0.000 0.547 408 L N 1.044 121.882 121.223 -0.640 0.000 1.994 408 L HA -0.017 4.327 4.340 0.007 0.000 0.208 408 L C 2.874 179.579 176.870 -0.276 0.000 1.071 408 L CA 2.799 57.215 54.840 -0.707 0.000 0.745 408 L CB -1.116 40.049 42.059 -1.490 0.000 0.892 408 L HN 0.184 nan 8.230 nan 0.000 0.431 409 T N 0.108 114.550 114.554 -0.187 0.000 2.746 409 T HA -0.134 4.220 4.350 0.007 0.000 0.267 409 T C 1.923 176.720 174.700 0.161 0.000 1.039 409 T CA 1.346 63.479 62.100 0.056 0.000 1.142 409 T CB -0.659 68.253 68.868 0.074 0.000 0.866 409 T HN 0.529 nan 8.240 nan 0.000 0.444 410 A N 1.462 124.335 122.820 0.089 0.000 1.933 410 A HA 0.170 4.494 4.320 0.007 0.000 0.218 410 A C 2.645 180.296 177.584 0.112 0.000 1.175 410 A CA 1.782 53.891 52.037 0.121 0.000 0.628 410 A CB -1.064 18.007 19.000 0.118 0.000 0.814 410 A HN 0.513 nan 8.150 nan 0.000 0.444 411 A N -0.281 122.582 122.820 0.071 0.000 1.873 411 A HA -0.114 4.210 4.320 0.007 0.000 0.215 411 A C 2.045 179.634 177.584 0.008 0.000 1.186 411 A CA 1.717 53.787 52.037 0.055 0.000 0.616 411 A CB -0.305 18.732 19.000 0.061 0.000 0.823 411 A HN 0.331 nan 8.150 nan 0.000 0.442 412 K N -0.925 119.446 120.400 -0.048 0.000 2.155 412 K HA 0.007 4.331 4.320 0.007 0.000 0.203 412 K C 1.085 177.490 176.600 -0.326 0.000 1.052 412 K CA 0.947 57.114 56.287 -0.200 0.000 0.948 412 K CB -0.473 31.846 32.500 -0.302 0.000 0.728 412 K HN 0.565 nan 8.250 nan 0.000 0.448 413 F N 0.269 120.218 119.950 -0.002 0.000 2.765 413 F HA 0.204 4.735 4.527 0.006 0.000 0.302 413 F C 1.141 176.946 175.800 0.008 0.000 1.111 413 F CA 0.327 58.328 58.000 0.002 0.000 1.359 413 F CB 0.105 39.101 39.000 -0.006 0.000 1.097 413 F HN 0.171 nan 8.300 nan 0.000 0.577 414 G N 1.507 110.379 108.800 0.119 0.000 2.246 414 G HA2 -0.296 3.668 3.960 0.007 0.000 0.273 414 G HA3 -0.296 3.668 3.960 0.007 0.000 0.273 414 G C -0.027 174.927 174.900 0.089 0.000 1.055 414 G CA -0.265 44.886 45.100 0.086 0.000 0.851 414 G HN 0.310 nan 8.290 nan 0.000 0.500 415 L N 0.731 122.015 121.223 0.102 0.000 2.358 415 L HA 0.573 4.917 4.340 0.007 0.000 0.274 415 L C 1.238 178.135 176.870 0.045 0.000 1.136 415 L CA -0.235 54.646 54.840 0.068 0.000 0.970 415 L CB 0.576 42.675 42.059 0.067 0.000 1.314 415 L HN 0.415 nan 8.230 nan 0.000 0.427 416 A N 2.592 125.426 122.820 0.023 0.000 2.498 416 A HA 0.156 4.480 4.320 0.007 0.000 0.239 416 A C 0.989 178.514 177.584 -0.097 0.000 1.068 416 A CA 0.070 52.087 52.037 -0.034 0.000 0.766 416 A CB -0.100 18.886 19.000 -0.023 0.000 1.003 416 A HN 0.910 nan 8.150 nan 0.000 0.497 417 E N -0.618 119.334 120.200 -0.414 0.000 2.971 417 E HA -0.223 4.131 4.350 0.007 0.000 0.278 417 E C -0.017 176.389 176.600 -0.323 0.000 1.009 417 E CA 1.413 57.254 56.400 -0.933 0.000 0.862 417 E CB -1.183 28.151 29.700 -0.610 0.000 1.436 417 E HN 0.760 nan 8.360 nan 0.000 0.434 418 R N -1.418 119.077 120.500 -0.008 0.000 2.888 418 R HA 0.584 4.928 4.340 0.007 0.000 0.264 418 R C 0.932 177.390 176.300 0.263 0.000 1.045 418 R CA -0.381 55.839 56.100 0.199 0.000 0.962 418 R CB 1.624 31.997 30.300 0.123 0.000 1.210 418 R HN 0.140 nan 8.270 nan 0.000 0.479 419 G N 0.396 109.332 108.800 0.227 0.000 2.176 419 G HA2 -0.275 3.689 3.960 0.007 0.000 0.253 419 G HA3 -0.275 3.689 3.960 0.007 0.000 0.253 419 G C -0.182 174.842 174.900 0.205 0.000 0.979 419 G CA 0.079 45.295 45.100 0.193 0.000 0.641 419 G HN 0.444 nan 8.290 nan 0.000 0.530 420 Q N -1.046 118.895 119.800 0.234 0.000 2.379 420 Q HA 0.559 4.903 4.340 0.007 0.000 0.278 420 Q C -0.746 175.251 176.000 -0.004 0.000 1.068 420 Q CA -0.963 54.884 55.803 0.072 0.000 0.816 420 Q CB 2.987 31.662 28.738 -0.105 0.000 1.387 420 Q HN 0.172 nan 8.270 nan 0.000 0.413 421 V N 3.146 123.038 119.914 -0.037 0.000 2.267 421 V HA 0.199 4.323 4.120 0.007 0.000 0.254 421 V C -0.420 175.582 176.094 -0.153 0.000 1.144 421 V CA -0.066 62.201 62.300 -0.056 0.000 0.992 421 V CB 0.105 31.918 31.823 -0.018 0.000 1.199 421 V HN 0.552 nan 8.190 nan 0.000 0.493 422 Q N 4.437 124.087 119.800 -0.251 0.000 2.359 422 Q HA 0.462 4.806 4.340 0.007 0.000 0.274 422 Q C -2.846 173.041 176.000 -0.188 0.000 1.074 422 Q CA -2.262 53.345 55.803 -0.327 0.000 0.810 422 Q CB 2.799 31.083 28.738 -0.757 0.000 1.342 422 Q HN 0.255 nan 8.270 nan 0.000 0.427 423 P HA 0.088 nan 4.420 nan 0.000 0.265 423 P C 0.706 178.003 177.300 -0.006 0.000 1.193 423 P CA 1.200 64.251 63.100 -0.081 0.000 0.765 423 P CB 0.468 32.125 31.700 -0.070 0.000 0.823 424 G N 0.967 109.760 108.800 -0.012 0.000 2.241 424 G HA2 -0.259 3.705 3.960 0.007 0.000 0.244 424 G HA3 -0.259 3.705 3.960 0.007 0.000 0.244 424 G C -0.052 174.863 174.900 0.026 0.000 0.998 424 G CA -0.376 44.728 45.100 0.007 0.000 0.621 424 G HN 0.388 nan 8.290 nan 0.000 0.519 425 Y N 0.288 120.492 120.300 -0.160 0.000 2.298 425 Y HA 0.616 5.170 4.550 0.007 0.000 0.329 425 Y C 1.075 176.866 175.900 -0.182 0.000 1.293 425 Y CA -1.404 56.602 58.100 -0.156 0.000 1.388 425 Y CB 0.101 38.536 38.460 -0.041 0.000 1.309 425 Y HN 0.179 nan 8.280 nan 0.000 0.544 426 Y N -0.086 120.259 120.300 0.074 0.000 2.497 426 Y HA 0.283 4.837 4.550 0.006 0.000 0.334 426 Y C 0.631 176.566 175.900 0.058 0.000 1.199 426 Y CA -0.334 57.788 58.100 0.037 0.000 1.425 426 Y CB 0.427 38.892 38.460 0.009 0.000 1.291 426 Y HN 0.604 nan 8.280 nan 0.000 0.562 427 A N 3.170 126.112 122.820 0.203 0.000 3.077 427 A HA 0.156 4.480 4.320 0.007 0.000 0.255 427 A C -0.718 176.963 177.584 0.162 0.000 1.728 427 A CA -0.506 51.603 52.037 0.121 0.000 1.383 427 A CB -1.114 17.913 19.000 0.045 0.000 1.097 427 A HN 0.581 nan 8.150 nan 0.000 0.634 428 D N 1.182 121.676 120.400 0.157 0.000 2.359 428 D HA 0.592 5.236 4.640 0.007 0.000 0.230 428 D C -0.311 176.054 176.300 0.109 0.000 1.118 428 D CA 0.447 54.522 54.000 0.124 0.000 0.844 428 D CB 1.217 42.066 40.800 0.081 0.000 1.059 428 D HN 0.370 nan 8.370 nan 0.000 0.493 429 L N 1.075 122.383 121.223 0.141 0.000 2.424 429 L HA 0.612 4.956 4.340 0.007 0.000 0.258 429 L C -0.749 176.203 176.870 0.136 0.000 0.995 429 L CA -1.137 53.780 54.840 0.129 0.000 0.821 429 L CB 2.427 44.563 42.059 0.129 0.000 1.383 429 L HN -0.050 nan 8.230 nan 0.000 0.410 430 V N 1.620 121.576 119.914 0.070 0.000 2.735 430 V HA 0.519 4.643 4.120 0.007 0.000 0.310 430 V C -0.569 175.661 176.094 0.226 0.000 1.061 430 V CA -0.727 61.617 62.300 0.073 0.000 0.913 430 V CB 2.452 34.132 31.823 -0.238 0.000 1.005 430 V HN 0.405 nan 8.190 nan 0.000 0.428 431 V N 5.626 125.716 119.914 0.293 0.000 2.357 431 V HA 0.615 4.739 4.120 0.007 0.000 0.284 431 V C -0.543 175.758 176.094 0.345 0.000 1.018 431 V CA -0.381 62.063 62.300 0.239 0.000 0.841 431 V CB 0.821 32.791 31.823 0.245 0.000 0.991 431 V HN 0.786 nan 8.190 nan 0.000 0.437 432 F N 1.443 121.496 119.950 0.171 0.000 2.613 432 F HA 0.733 5.263 4.527 0.005 0.000 0.314 432 F C -0.622 175.272 175.800 0.158 0.000 1.075 432 F CA -1.255 56.864 58.000 0.199 0.000 0.945 432 F CB 1.594 40.742 39.000 0.246 0.000 1.310 432 F HN 0.351 nan 8.300 nan 0.000 0.467 433 D N 3.834 124.452 120.400 0.364 0.000 2.347 433 D HA 0.274 4.918 4.640 0.007 0.000 0.235 433 D C -1.651 174.847 176.300 0.330 0.000 1.149 433 D CA -2.505 51.620 54.000 0.209 0.000 0.850 433 D CB 1.783 42.698 40.800 0.192 0.000 1.061 433 D HN 0.340 nan 8.370 nan 0.000 0.487 434 P HA -0.141 nan 4.420 nan 0.000 0.219 434 P C 0.966 178.407 177.300 0.235 0.000 1.146 434 P CA 0.758 64.052 63.100 0.323 0.000 0.808 434 P CB 0.318 32.120 31.700 0.170 0.000 0.779 435 A N 0.025 122.941 122.820 0.161 0.000 2.014 435 A HA -0.049 4.275 4.320 0.007 0.000 0.218 435 A C 2.064 179.726 177.584 0.130 0.000 1.163 435 A CA 2.072 54.184 52.037 0.125 0.000 0.652 435 A CB -1.338 17.716 19.000 0.090 0.000 0.808 435 A HN 0.400 nan 8.150 nan 0.000 0.449 436 T N -4.272 110.376 114.554 0.157 0.000 3.003 436 T HA 0.288 4.642 4.350 0.007 0.000 0.261 436 T C 0.439 175.238 174.700 0.167 0.000 1.003 436 T CA 0.345 62.532 62.100 0.145 0.000 0.917 436 T CB -0.575 68.374 68.868 0.136 0.000 1.084 436 T HN 0.206 nan 8.240 nan 0.000 0.522 437 V N 2.487 122.532 119.914 0.217 0.000 2.617 437 V HA 0.543 4.667 4.120 0.007 0.000 0.304 437 V C 0.030 176.205 176.094 0.134 0.000 1.040 437 V CA 0.612 63.031 62.300 0.199 0.000 1.149 437 V CB -0.295 31.658 31.823 0.216 0.000 0.914 437 V HN 0.877 nan 8.190 nan 0.000 0.487 438 A N 5.403 128.294 122.820 0.118 0.000 2.594 438 A HA 0.574 4.898 4.320 0.007 0.000 0.296 438 A C -0.967 176.671 177.584 0.089 0.000 1.056 438 A CA -0.481 51.611 52.037 0.092 0.000 0.693 438 A CB 1.204 20.255 19.000 0.084 0.000 1.278 438 A HN 0.934 nan 8.150 nan 0.000 0.408 439 D N 1.429 121.870 120.400 0.070 0.000 2.351 439 D HA 0.328 4.972 4.640 0.007 0.000 0.251 439 D C 0.387 176.724 176.300 0.062 0.000 1.137 439 D CA 0.139 54.188 54.000 0.081 0.000 0.879 439 D CB 1.505 42.351 40.800 0.076 0.000 1.181 439 D HN 0.172 nan 8.370 nan 0.000 0.448 440 S N 0.845 116.589 115.700 0.073 0.000 2.497 440 S HA 0.224 4.698 4.470 0.007 0.000 0.218 440 S C 0.991 175.607 174.600 0.027 0.000 1.023 440 S CA -0.165 58.061 58.200 0.044 0.000 0.913 440 S CB 0.302 63.526 63.200 0.040 0.000 0.800 440 S HN 0.789 nan 8.310 nan 0.000 0.505 441 A N 2.818 125.662 122.820 0.040 0.000 2.488 441 A HA 0.497 4.821 4.320 0.007 0.000 0.249 441 A C 0.701 178.268 177.584 -0.028 0.000 1.083 441 A CA -0.027 52.010 52.037 0.000 0.000 0.768 441 A CB -0.063 18.961 19.000 0.041 0.000 1.017 441 A HN 0.382 nan 8.150 nan 0.000 0.496 442 T N -1.175 113.347 114.554 -0.053 0.000 2.888 442 T HA 0.598 4.952 4.350 0.007 0.000 0.288 442 T C 0.481 175.067 174.700 -0.191 0.000 1.063 442 T CA -0.440 61.604 62.100 -0.094 0.000 1.010 442 T CB 0.505 69.393 68.868 0.034 0.000 1.214 442 T HN 0.244 nan 8.240 nan 0.000 0.533 443 F N 0.813 120.760 119.950 -0.004 0.000 2.216 443 F HA 0.062 4.592 4.527 0.005 0.000 0.300 443 F C 2.404 178.155 175.800 -0.082 0.000 1.085 443 F CA 1.221 59.195 58.000 -0.044 0.000 1.326 443 F CB -0.618 38.407 39.000 0.040 0.000 1.027 443 F HN 0.567 nan 8.300 nan 0.000 0.497 444 E N -1.228 118.984 120.200 0.020 0.000 2.072 444 E HA -0.109 4.245 4.350 0.007 0.000 0.191 444 E C 0.176 176.520 176.600 -0.426 0.000 0.985 444 E CA 1.290 57.557 56.400 -0.221 0.000 0.801 444 E CB -0.326 29.189 29.700 -0.309 0.000 0.750 444 E HN 0.450 nan 8.360 nan 0.000 0.452 445 H N -0.604 118.451 119.070 -0.025 0.000 2.541 445 H HA 0.173 4.733 4.556 0.006 0.000 0.246 445 H C -1.973 173.281 175.328 -0.123 0.000 1.341 445 H CA -1.546 54.459 56.048 -0.073 0.000 1.469 445 H CB 1.226 30.945 29.762 -0.071 0.000 1.472 445 H HN 0.046 nan 8.280 nan 0.000 0.503 446 P HA -0.069 nan 4.420 nan 0.000 0.245 446 P C 0.874 178.039 177.300 -0.224 0.000 1.212 446 P CA 0.717 63.751 63.100 -0.109 0.000 0.774 446 P CB 0.320 31.978 31.700 -0.069 0.000 0.999 447 T N -4.530 109.759 114.554 -0.441 0.000 3.182 447 T HA 0.185 4.539 4.350 0.007 0.000 0.277 447 T C 0.388 174.418 174.700 -1.116 0.000 1.013 447 T CA -0.379 60.993 62.100 -1.213 0.000 0.900 447 T CB -0.229 68.078 68.868 -0.936 0.000 1.098 447 T HN -0.166 nan 8.240 nan 0.000 0.543 448 E N 2.271 122.175 120.200 -0.493 0.000 2.360 448 E HA 0.313 4.667 4.350 0.007 0.000 0.269 448 E C -0.035 176.465 176.600 -0.167 0.000 1.022 448 E CA -0.262 55.964 56.400 -0.291 0.000 0.887 448 E CB 0.666 30.291 29.700 -0.125 0.000 0.990 448 E HN 0.254 nan 8.360 nan 0.000 0.426 449 R N 0.867 121.329 120.500 -0.064 0.000 2.491 449 R HA 0.266 4.610 4.340 0.007 0.000 0.283 449 R C 0.104 176.498 176.300 0.156 0.000 1.072 449 R CA -0.117 56.075 56.100 0.154 0.000 1.048 449 R CB 0.381 30.827 30.300 0.244 0.000 0.983 449 R HN 0.570 nan 8.270 nan 0.000 0.450 450 A N 2.114 125.045 122.820 0.185 0.000 2.507 450 A HA 0.463 4.787 4.320 0.007 0.000 0.235 450 A C 0.085 177.771 177.584 0.169 0.000 1.070 450 A CA 0.195 52.327 52.037 0.158 0.000 0.768 450 A CB 0.082 19.173 19.000 0.152 0.000 1.011 450 A HN 0.776 nan 8.150 nan 0.000 0.502 451 A N 0.286 123.195 122.820 0.149 0.000 2.279 451 A HA 0.627 4.951 4.320 0.007 0.000 0.303 451 A C 1.392 179.090 177.584 0.189 0.000 1.108 451 A CA 0.276 52.408 52.037 0.158 0.000 0.830 451 A CB 0.050 19.125 19.000 0.124 0.000 1.106 451 A HN 2.751 nan 8.150 nan 0.000 0.493 452 G N -0.341 108.586 108.800 0.212 0.000 2.162 452 G HA2 -0.173 3.791 3.960 0.007 0.000 0.260 452 G HA3 -0.173 3.791 3.960 0.007 0.000 0.260 452 G C 0.013 175.114 174.900 0.335 0.000 0.976 452 G CA 0.329 45.585 45.100 0.261 0.000 0.655 452 G HN 0.667 nan 8.290 nan 0.000 0.533 453 I N 1.820 122.583 120.570 0.322 0.000 2.287 453 I HA 0.236 4.410 4.170 0.007 0.000 0.290 453 I C 1.464 177.821 176.117 0.400 0.000 1.069 453 I CA -0.500 61.016 61.300 0.361 0.000 1.237 453 I CB 0.565 38.726 38.000 0.268 0.000 1.418 453 I HN 0.254 nan 8.210 nan 0.000 0.481 454 H N 6.044 125.284 119.070 0.283 0.000 2.317 454 H HA 0.027 4.587 4.556 0.007 0.000 0.304 454 H C 0.124 175.568 175.328 0.193 0.000 1.067 454 H CA 1.154 57.327 56.048 0.208 0.000 1.352 454 H CB 0.965 30.826 29.762 0.164 0.000 1.398 454 H HN 0.612 nan 8.280 nan 0.000 0.510 455 S N -0.498 115.411 115.700 0.348 0.000 2.565 455 S HA 0.559 5.033 4.470 0.007 0.000 0.269 455 S C -1.366 173.335 174.600 0.167 0.000 1.153 455 S CA -0.874 57.430 58.200 0.172 0.000 0.835 455 S CB 2.576 65.834 63.200 0.096 0.000 1.122 455 S HN 0.032 nan 8.310 nan 0.000 0.462 456 V N 1.708 121.608 119.914 -0.024 0.000 2.686 456 V HA 0.577 4.701 4.120 0.007 0.000 0.306 456 V C -1.868 174.098 176.094 -0.214 0.000 1.065 456 V CA -0.594 61.699 62.300 -0.012 0.000 0.894 456 V CB 1.484 33.315 31.823 0.014 0.000 1.004 456 V HN 0.941 nan 8.190 nan 0.000 0.424 457 Y N 2.426 122.762 120.300 0.061 0.000 2.409 457 Y HA 0.747 5.301 4.550 0.006 0.000 0.343 457 Y C -0.175 175.757 175.900 0.054 0.000 0.973 457 Y CA -1.012 57.133 58.100 0.075 0.000 1.064 457 Y CB 2.332 40.866 38.460 0.123 0.000 1.207 457 Y HN 0.357 nan 8.280 nan 0.000 0.452 458 V N 3.086 123.113 119.914 0.189 0.000 2.444 458 V HA 0.249 4.373 4.120 0.007 0.000 0.294 458 V C -0.371 175.799 176.094 0.126 0.000 1.022 458 V CA -1.486 60.881 62.300 0.112 0.000 0.850 458 V CB 1.209 33.064 31.823 0.053 0.000 0.992 458 V HN 0.971 nan 8.190 nan 0.000 0.426 459 N N 4.018 122.787 118.700 0.114 0.000 2.727 459 N HA -0.239 4.505 4.740 0.007 0.000 0.249 459 N C 1.167 176.782 175.510 0.174 0.000 1.048 459 N CA 0.880 54.008 53.050 0.129 0.000 0.714 459 N CB -0.781 37.735 38.487 0.049 0.000 0.959 459 N HN 1.403 nan 8.380 nan 0.000 0.544 460 G N -1.927 107.006 108.800 0.222 0.000 2.267 460 G HA2 -0.255 3.709 3.960 0.007 0.000 0.257 460 G HA3 -0.255 3.709 3.960 0.007 0.000 0.257 460 G C 0.228 175.374 174.900 0.410 0.000 0.998 460 G CA 0.442 45.712 45.100 0.283 0.000 0.620 460 G HN 1.035 nan 8.290 nan 0.000 0.529 461 A N 0.359 123.357 122.820 0.296 0.000 2.301 461 A HA 0.883 5.207 4.320 0.007 0.000 0.298 461 A C 0.677 178.359 177.584 0.163 0.000 1.185 461 A CA 0.848 53.017 52.037 0.219 0.000 0.830 461 A CB 0.908 19.974 19.000 0.111 0.000 1.112 461 A HN 2.046 nan 8.150 nan 0.000 0.508 462 A N 1.960 124.782 122.820 0.003 0.000 2.492 462 A HA 0.424 4.748 4.320 0.007 0.000 0.254 462 A C 1.083 178.545 177.584 -0.204 0.000 1.091 462 A CA 0.316 52.107 52.037 -0.410 0.000 0.768 462 A CB -0.170 18.509 19.000 -0.536 0.000 1.028 462 A HN 1.938 nan 8.150 nan 0.000 0.498 463 V N -0.001 119.839 119.914 -0.122 0.000 3.523 463 V HA 0.304 4.428 4.120 0.007 0.000 0.255 463 V C 0.474 176.704 176.094 0.225 0.000 1.226 463 V CA -0.058 62.291 62.300 0.082 0.000 1.092 463 V CB -0.322 31.617 31.823 0.193 0.000 0.817 463 V HN 0.852 nan 8.190 nan 0.000 0.458 464 W N 1.465 122.686 121.300 -0.132 0.000 2.715 464 W HA 0.694 5.358 4.660 0.007 0.000 0.331 464 W C -1.463 174.946 176.519 -0.183 0.000 1.031 464 W CA -0.386 56.906 57.345 -0.088 0.000 1.237 464 W CB 1.899 31.332 29.460 -0.045 0.000 1.378 464 W HN 0.226 nan 8.180 nan 0.000 0.454 465 E N 4.120 123.990 120.200 -0.549 0.000 2.363 465 E HA 0.069 4.423 4.350 0.007 0.000 0.281 465 E C -0.781 175.460 176.600 -0.599 0.000 0.953 465 E CA -0.674 55.426 56.400 -0.501 0.000 0.778 465 E CB 1.972 31.456 29.700 -0.360 0.000 1.220 465 E HN 0.378 nan 8.360 nan 0.000 0.431 466 D N 2.738 122.846 120.400 -0.487 0.000 2.708 466 D HA -0.181 4.463 4.640 0.007 0.000 0.236 466 D C -0.387 175.635 176.300 -0.464 0.000 1.146 466 D CA 0.999 54.772 54.000 -0.379 0.000 0.662 466 D CB -0.534 40.097 40.800 -0.281 0.000 1.059 466 D HN 0.542 nan 8.370 nan 0.000 0.428 467 Q N -2.186 117.214 119.800 -0.667 0.000 2.453 467 Q HA -0.238 4.106 4.340 0.007 0.000 0.294 467 Q C -0.253 175.100 176.000 -1.078 0.000 1.295 467 Q CA 1.653 57.024 55.803 -0.720 0.000 0.853 467 Q CB -1.791 26.872 28.738 -0.125 0.000 1.193 467 Q HN 0.589 nan 8.270 nan 0.000 0.461 468 S N -0.902 113.867 115.700 -1.551 0.000 2.550 468 S HA 0.649 5.123 4.470 0.007 0.000 0.270 468 S C -1.257 172.995 174.600 -0.580 0.000 1.145 468 S CA -0.880 56.793 58.200 -0.879 0.000 0.852 468 S CB 1.127 64.098 63.200 -0.382 0.000 1.119 468 S HN 0.236 nan 8.310 nan 0.000 0.465 469 F N 3.604 123.483 119.950 -0.120 0.000 2.495 469 F HA 0.347 4.878 4.527 0.007 0.000 0.365 469 F C 1.728 177.476 175.800 -0.087 0.000 1.090 469 F CA 0.343 58.385 58.000 0.071 0.000 1.235 469 F CB 1.019 40.105 39.000 0.144 0.000 1.119 469 F HN 0.729 nan 8.300 nan 0.000 0.562 470 T N 1.608 115.802 114.554 -0.600 0.000 3.085 470 T HA 0.244 4.598 4.350 0.007 0.000 0.263 470 T C 1.483 175.654 174.700 -0.882 0.000 1.127 470 T CA 0.597 62.326 62.100 -0.619 0.000 1.103 470 T CB -0.488 68.132 68.868 -0.414 0.000 0.921 470 T HN 1.534 nan 8.240 nan 0.000 0.510 471 G N 0.621 108.293 108.800 -1.879 0.000 2.176 471 G HA2 -0.199 3.765 3.960 0.007 0.000 0.232 471 G HA3 -0.199 3.765 3.960 0.007 0.000 0.232 471 G C -0.036 174.323 174.900 -0.902 0.000 0.986 471 G CA -0.277 44.018 45.100 -1.342 0.000 0.643 471 G HN 0.572 nan 8.290 nan 0.000 0.522 472 Q N 0.903 120.283 119.800 -0.701 0.000 2.307 472 Q HA 0.323 4.667 4.340 0.007 0.000 0.261 472 Q C -0.372 175.580 176.000 -0.080 0.000 1.051 472 Q CA 0.090 55.741 55.803 -0.253 0.000 0.911 472 Q CB 0.257 28.919 28.738 -0.126 0.000 1.227 472 Q HN 0.672 nan 8.270 nan 0.000 0.418 473 H N 0.838 120.002 119.070 0.158 0.000 2.820 473 H HA 0.268 4.828 4.556 0.007 0.000 0.248 473 H C 0.732 176.105 175.328 0.075 0.000 1.714 473 H CA -0.116 56.024 56.048 0.154 0.000 1.334 473 H CB 0.517 30.343 29.762 0.107 0.000 1.693 473 H HN 0.708 nan 8.280 nan 0.000 0.548 474 A N 2.279 125.179 122.820 0.134 0.000 2.238 474 A HA 0.208 4.532 4.320 0.007 0.000 0.210 474 A C 1.673 179.281 177.584 0.039 0.000 1.179 474 A CA 0.299 52.383 52.037 0.080 0.000 0.827 474 A CB 0.046 19.092 19.000 0.076 0.000 0.856 474 A HN 0.619 nan 8.150 nan 0.000 0.488 475 G N -0.125 108.694 108.800 0.032 0.000 2.527 475 G HA2 0.485 4.449 3.960 0.007 0.000 0.248 475 G HA3 0.485 4.449 3.960 0.007 0.000 0.248 475 G C -0.109 174.760 174.900 -0.051 0.000 1.231 475 G CA -0.502 44.584 45.100 -0.023 0.000 0.838 475 G HN 0.465 nan 8.290 nan 0.000 0.570 476 R N -0.239 120.206 120.500 -0.091 0.000 2.807 476 R HA 0.440 4.784 4.340 0.007 0.000 0.276 476 R C -1.002 175.230 176.300 -0.114 0.000 0.979 476 R CA -0.925 55.111 56.100 -0.106 0.000 0.928 476 R CB 2.546 32.762 30.300 -0.140 0.000 1.191 476 R HN 0.332 nan 8.270 nan 0.000 0.471 477 V N 4.299 124.147 119.914 -0.109 0.000 2.470 477 V HA 0.175 4.299 4.120 0.007 0.000 0.276 477 V C 0.256 176.302 176.094 -0.081 0.000 1.040 477 V CA -0.039 62.200 62.300 -0.101 0.000 1.008 477 V CB 0.542 32.297 31.823 -0.113 0.000 0.990 477 V HN 0.454 nan 8.190 nan 0.000 0.477 478 L N 5.285 126.466 121.223 -0.070 0.000 2.375 478 L HA 0.543 4.887 4.340 0.007 0.000 0.268 478 L C 0.062 176.923 176.870 -0.015 0.000 1.058 478 L CA -0.467 54.339 54.840 -0.058 0.000 0.803 478 L CB 1.182 43.201 42.059 -0.067 0.000 1.212 478 L HN 0.618 nan 8.230 nan 0.000 0.451 479 N N -0.528 118.170 118.700 -0.002 0.000 2.292 479 N HA 0.645 5.389 4.740 0.007 0.000 0.303 479 N C -0.229 175.303 175.510 0.036 0.000 1.140 479 N CA -0.740 52.325 53.050 0.024 0.000 0.788 479 N CB 1.437 39.940 38.487 0.027 0.000 1.361 479 N HN 0.622 nan 8.380 nan 0.000 0.489 480 R N 0.000 120.531 120.500 0.052 0.000 2.786 480 R HA 0.000 4.344 4.340 0.007 0.000 0.208 480 R CA 0.000 56.138 56.100 0.063 0.000 0.921 480 R CB 0.000 30.345 30.300 0.076 0.000 0.687 480 R HN 0.000 nan 8.270 nan 0.000 0.535