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 1rjp_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 0.000 177.349 177.300 0.081 0.000 1.155 7 P CA 0.000 63.042 63.100 -0.096 0.000 0.800 7 P CB 0.000 31.669 31.700 -0.052 0.000 0.726 8 F N 0.817 120.744 119.950 -0.038 0.000 2.382 8 F HA 0.186 4.717 4.527 0.006 0.000 0.331 8 F C 1.954 177.727 175.800 -0.045 0.000 1.121 8 F CA -0.337 57.619 58.000 -0.074 0.000 1.183 8 F CB 0.251 39.184 39.000 -0.113 0.000 1.207 8 F HN 0.235 nan 8.300 nan 0.000 0.555 9 D N 0.268 120.745 120.400 0.129 0.000 2.144 9 D HA -0.107 4.537 4.640 0.006 0.000 0.200 9 D C -0.222 176.245 176.300 0.277 0.000 0.978 9 D CA 1.853 55.952 54.000 0.165 0.000 0.833 9 D CB 0.042 40.952 40.800 0.182 0.000 0.961 9 D HN 0.554 nan 8.370 nan 0.000 0.470 10 Y N -2.262 118.102 120.300 0.107 0.000 2.702 10 Y HA 0.548 5.101 4.550 0.006 0.000 0.336 10 Y C -1.600 174.344 175.900 0.074 0.000 1.203 10 Y CA -1.335 56.812 58.100 0.080 0.000 1.072 10 Y CB 0.774 39.260 38.460 0.044 0.000 1.327 10 Y HN -0.324 nan 8.280 nan 0.000 0.456 11 I N 2.773 123.476 120.570 0.222 0.000 2.582 11 I HA 0.391 4.564 4.170 0.006 0.000 0.292 11 I C -1.141 175.068 176.117 0.154 0.000 1.066 11 I CA -1.003 60.371 61.300 0.123 0.000 1.053 11 I CB 2.283 40.370 38.000 0.145 0.000 1.241 11 I HN 0.543 nan 8.210 nan 0.000 0.421 12 L N 5.807 127.085 121.223 0.091 0.000 2.259 12 L HA 0.383 4.727 4.340 0.006 0.000 0.288 12 L C 0.180 177.068 176.870 0.030 0.000 1.051 12 L CA -0.197 54.683 54.840 0.067 0.000 0.824 12 L CB 0.846 42.920 42.059 0.025 0.000 1.206 12 L HN 0.639 nan 8.230 nan 0.000 0.429 13 S N 0.676 116.394 115.700 0.031 0.000 2.578 13 S HA 0.790 5.263 4.470 0.006 0.000 0.301 13 S C 0.801 175.401 174.600 -0.001 0.000 1.091 13 S CA 0.009 58.219 58.200 0.017 0.000 1.032 13 S CB 1.992 65.209 63.200 0.029 0.000 1.064 13 S HN 0.920 nan 8.310 nan 0.000 0.508 14 G N 0.502 109.298 108.800 -0.005 0.000 2.179 14 G HA2 -0.075 3.889 3.960 0.006 0.000 0.260 14 G HA3 -0.075 3.889 3.960 0.006 0.000 0.260 14 G C 0.526 175.411 174.900 -0.025 0.000 0.977 14 G CA 0.109 45.202 45.100 -0.012 0.000 0.641 14 G HN 1.356 nan 8.290 nan 0.000 0.533 15 G N -1.316 107.464 108.800 -0.034 0.000 2.583 15 G HA2 0.631 4.595 3.960 0.006 0.000 0.280 15 G HA3 0.631 4.595 3.960 0.006 0.000 0.280 15 G C -0.319 174.552 174.900 -0.048 0.000 1.376 15 G CA 0.390 45.458 45.100 -0.053 0.000 1.043 15 G HN 0.584 nan 8.290 nan 0.000 0.538 16 T N 0.254 114.769 114.554 -0.066 0.000 2.758 16 T HA 0.448 4.802 4.350 0.006 0.000 0.285 16 T C -0.225 174.441 174.700 -0.056 0.000 0.981 16 T CA -0.188 61.880 62.100 -0.054 0.000 0.965 16 T CB 1.510 70.345 68.868 -0.055 0.000 0.927 16 T HN 0.259 nan 8.240 nan 0.000 0.448 17 V N 5.344 125.239 119.914 -0.032 0.000 2.432 17 V HA 0.407 4.531 4.120 0.006 0.000 0.275 17 V C 0.116 176.214 176.094 0.005 0.000 1.043 17 V CA -0.600 61.689 62.300 -0.018 0.000 0.925 17 V CB 0.988 32.800 31.823 -0.018 0.000 0.985 17 V HN 0.792 nan 8.190 nan 0.000 0.466 18 I N 5.008 125.600 120.570 0.037 0.000 2.371 18 I HA 0.253 4.427 4.170 0.006 0.000 0.282 18 I C 0.526 176.698 176.117 0.092 0.000 1.031 18 I CA -0.478 60.869 61.300 0.079 0.000 1.180 18 I CB 1.500 39.583 38.000 0.139 0.000 1.336 18 I HN 0.744 nan 8.210 nan 0.000 0.467 19 D N 4.241 124.676 120.400 0.058 0.000 2.363 19 D HA -0.006 4.638 4.640 0.006 0.000 0.226 19 D C 1.370 177.716 176.300 0.076 0.000 1.020 19 D CA 0.575 54.600 54.000 0.042 0.000 0.892 19 D CB 0.238 41.032 40.800 -0.010 0.000 0.900 19 D HN 0.754 nan 8.370 nan 0.000 0.531 20 G N 0.007 108.891 108.800 0.140 0.000 2.148 20 G HA2 -0.304 3.660 3.960 0.006 0.000 0.254 20 G HA3 -0.304 3.660 3.960 0.006 0.000 0.254 20 G C 0.868 175.934 174.900 0.276 0.000 0.981 20 G CA 0.806 46.032 45.100 0.211 0.000 0.670 20 G HN 0.729 nan 8.290 nan 0.000 0.528 21 T N -2.533 112.120 114.554 0.165 0.000 3.176 21 T HA 0.387 4.741 4.350 0.006 0.000 0.263 21 T C 0.740 175.404 174.700 -0.059 0.000 1.021 21 T CA 0.655 62.825 62.100 0.117 0.000 0.905 21 T CB 0.104 68.989 68.868 0.028 0.000 1.057 21 T HN 1.146 nan 8.240 nan 0.000 0.558 22 N N 1.049 119.717 118.700 -0.053 0.000 2.746 22 N HA -0.138 4.606 4.740 0.006 0.000 0.250 22 N C -0.504 174.906 175.510 -0.167 0.000 1.055 22 N CA 0.754 53.660 53.050 -0.240 0.000 0.699 22 N CB -1.481 36.497 38.487 -0.847 0.000 0.919 22 N HN 1.014 nan 8.380 nan 0.000 0.548 23 A N 0.562 123.344 122.820 -0.064 0.000 2.414 23 A HA 0.774 5.098 4.320 0.006 0.000 0.306 23 A C -2.560 175.017 177.584 -0.012 0.000 1.054 23 A CA -1.340 50.668 52.037 -0.049 0.000 0.724 23 A CB 1.390 20.365 19.000 -0.041 0.000 1.267 23 A HN 0.130 nan 8.150 nan 0.000 0.418 24 P HA 0.200 nan 4.420 nan 0.000 0.265 24 P C 0.664 177.971 177.300 0.012 0.000 1.187 24 P CA 0.576 63.681 63.100 0.008 0.000 0.766 24 P CB 0.557 32.258 31.700 0.002 0.000 0.820 25 G N 2.675 111.489 108.800 0.023 0.000 2.554 25 G HA2 0.360 4.324 3.960 0.006 0.000 0.238 25 G HA3 0.360 4.324 3.960 0.006 0.000 0.238 25 G C -0.413 174.489 174.900 0.003 0.000 1.259 25 G CA -0.488 44.621 45.100 0.015 0.000 0.843 25 G HN 0.659 nan 8.290 nan 0.000 0.582 26 R N 0.800 121.297 120.500 -0.005 0.000 2.725 26 R HA 0.478 4.822 4.340 0.006 0.000 0.277 26 R C -0.891 175.401 176.300 -0.013 0.000 0.987 26 R CA -1.123 54.972 56.100 -0.009 0.000 0.901 26 R CB 1.356 31.650 30.300 -0.010 0.000 1.207 26 R HN 0.334 nan 8.270 nan 0.000 0.463 27 L N 2.212 123.428 121.223 -0.013 0.000 2.534 27 L HA 0.449 4.792 4.340 0.006 0.000 0.271 27 L C -0.007 176.855 176.870 -0.014 0.000 1.178 27 L CA 0.325 55.156 54.840 -0.015 0.000 0.907 27 L CB 0.742 42.794 42.059 -0.011 0.000 1.164 27 L HN 0.944 nan 8.230 nan 0.000 0.482 28 A N 3.428 126.238 122.820 -0.016 0.000 2.599 28 A HA 0.547 4.871 4.320 0.006 0.000 0.294 28 A C -1.593 175.982 177.584 -0.015 0.000 1.055 28 A CA -0.909 51.120 52.037 -0.014 0.000 0.683 28 A CB 1.308 20.298 19.000 -0.018 0.000 1.278 28 A HN 0.556 nan 8.150 nan 0.000 0.412 29 D N 0.165 120.560 120.400 -0.007 0.000 2.277 29 D HA 0.556 5.200 4.640 0.006 0.000 0.250 29 D C -0.621 175.666 176.300 -0.023 0.000 1.032 29 D CA -0.086 53.912 54.000 -0.004 0.000 0.947 29 D CB 1.933 42.746 40.800 0.022 0.000 1.159 29 D HN 0.264 nan 8.370 nan 0.000 0.460 30 V N 0.542 120.432 119.914 -0.040 0.000 2.443 30 V HA 0.568 4.692 4.120 0.006 0.000 0.293 30 V C 0.497 176.496 176.094 -0.158 0.000 1.021 30 V CA -0.869 61.373 62.300 -0.097 0.000 0.848 30 V CB 1.702 33.468 31.823 -0.096 0.000 0.998 30 V HN 0.614 nan 8.190 nan 0.000 0.424 31 G N 3.328 111.965 108.800 -0.271 0.000 2.356 31 G HA2 0.625 4.588 3.960 0.006 0.000 0.322 31 G HA3 0.625 4.588 3.960 0.006 0.000 0.322 31 G C -1.031 173.428 174.900 -0.735 0.000 1.125 31 G CA -0.430 44.368 45.100 -0.504 0.000 0.885 31 G HN 0.534 nan 8.290 nan 0.000 0.467 32 V N 2.329 121.766 119.914 -0.795 0.000 2.604 32 V HA 0.638 4.762 4.120 0.006 0.000 0.305 32 V C 0.015 175.776 176.094 -0.554 0.000 1.043 32 V CA -0.933 60.922 62.300 -0.742 0.000 0.888 32 V CB 1.907 33.112 31.823 -1.030 0.000 0.995 32 V HN 0.813 nan 8.190 nan 0.000 0.429 33 R N 2.750 123.045 120.500 -0.341 0.000 2.483 33 R HA 0.597 4.941 4.340 0.006 0.000 0.303 33 R C 0.569 176.830 176.300 -0.065 0.000 0.987 33 R CA 0.619 56.640 56.100 -0.132 0.000 0.881 33 R CB 1.399 31.667 30.300 -0.053 0.000 1.177 33 R HN 1.121 nan 8.270 nan 0.000 0.451 34 G N 3.997 112.798 108.800 0.001 0.000 2.556 34 G HA2 -0.410 3.554 3.960 0.006 0.000 0.283 34 G HA3 -0.410 3.554 3.960 0.006 0.000 0.283 34 G C 0.114 175.050 174.900 0.059 0.000 1.177 34 G CA 0.610 45.736 45.100 0.043 0.000 0.978 34 G HN 0.792 nan 8.290 nan 0.000 0.554 35 D N 0.912 121.360 120.400 0.079 0.000 2.342 35 D HA 0.224 4.868 4.640 0.006 0.000 0.221 35 D C 0.979 177.357 176.300 0.131 0.000 1.101 35 D CA 0.240 54.327 54.000 0.145 0.000 0.837 35 D CB 0.124 41.058 40.800 0.225 0.000 0.938 35 D HN 0.478 nan 8.370 nan 0.000 0.508 36 R N 0.363 120.862 120.500 -0.001 0.000 2.778 36 R HA 0.498 4.841 4.340 0.006 0.000 0.277 36 R C -0.090 176.125 176.300 -0.142 0.000 0.977 36 R CA -0.931 55.121 56.100 -0.079 0.000 0.950 36 R CB 1.715 31.935 30.300 -0.134 0.000 1.165 36 R HN 0.063 nan 8.270 nan 0.000 0.474 37 I N 2.117 122.611 120.570 -0.126 0.000 2.379 37 I HA 0.035 4.209 4.170 0.006 0.000 0.290 37 I C 1.358 177.324 176.117 -0.251 0.000 1.063 37 I CA 0.105 61.288 61.300 -0.194 0.000 1.351 37 I CB 1.397 39.331 38.000 -0.110 0.000 1.410 37 I HN 0.724 nan 8.210 nan 0.000 0.505 38 A N 5.660 128.219 122.820 -0.435 0.000 1.935 38 A HA 0.524 4.847 4.320 0.006 0.000 0.214 38 A C 1.009 178.379 177.584 -0.357 0.000 1.178 38 A CA 1.112 52.869 52.037 -0.466 0.000 0.640 38 A CB 0.106 18.590 19.000 -0.860 0.000 0.825 38 A HN 0.766 nan 8.150 nan 0.000 0.447 39 A N -2.142 120.441 122.820 -0.394 0.000 2.601 39 A HA 0.600 4.924 4.320 0.006 0.000 0.291 39 A C -1.500 176.000 177.584 -0.141 0.000 1.075 39 A CA -0.296 51.638 52.037 -0.172 0.000 0.671 39 A CB 0.892 19.884 19.000 -0.014 0.000 1.277 39 A HN 0.628 nan 8.150 nan 0.000 0.417 40 V N 0.388 120.260 119.914 -0.070 0.000 2.733 40 V HA 0.888 5.012 4.120 0.006 0.000 0.306 40 V C 0.605 176.685 176.094 -0.023 0.000 1.084 40 V CA 0.525 62.792 62.300 -0.056 0.000 0.905 40 V CB 1.143 32.925 31.823 -0.068 0.000 1.010 40 V HN 2.582 nan 8.190 nan 0.000 0.424 41 G N 3.492 112.285 108.800 -0.012 0.000 2.247 41 G HA2 0.084 4.048 3.960 0.006 0.000 0.229 41 G HA3 0.084 4.048 3.960 0.006 0.000 0.229 41 G C -1.430 173.476 174.900 0.009 0.000 1.345 41 G CA -0.173 44.926 45.100 -0.002 0.000 1.100 41 G HN 0.769 nan 8.290 nan 0.000 0.473 42 D N 1.246 121.653 120.400 0.012 0.000 2.352 42 D HA 0.444 5.088 4.640 0.006 0.000 0.245 42 D C 1.203 177.520 176.300 0.029 0.000 1.224 42 D CA -0.256 53.752 54.000 0.015 0.000 0.879 42 D CB 0.257 41.062 40.800 0.008 0.000 1.057 42 D HN 0.393 nan 8.370 nan 0.000 0.491 43 L N 3.029 124.278 121.223 0.043 0.000 2.872 43 L HA 0.065 4.409 4.340 0.006 0.000 0.245 43 L C 2.051 178.940 176.870 0.032 0.000 1.211 43 L CA -0.188 54.693 54.840 0.070 0.000 1.013 43 L CB -0.103 42.046 42.059 0.150 0.000 1.326 43 L HN 0.318 nan 8.230 nan 0.000 0.525 44 S N 0.346 116.054 115.700 0.014 0.000 2.419 44 S HA -0.183 4.291 4.470 0.006 0.000 0.235 44 S C 1.868 176.454 174.600 -0.022 0.000 1.019 44 S CA 1.020 59.219 58.200 -0.001 0.000 0.982 44 S CB -0.135 63.064 63.200 -0.001 0.000 0.789 44 S HN 0.424 nan 8.310 nan 0.000 0.490 45 A N 0.677 123.480 122.820 -0.028 0.000 2.251 45 A HA 0.477 4.801 4.320 0.006 0.000 0.209 45 A C 0.932 178.458 177.584 -0.097 0.000 1.187 45 A CA -0.215 51.792 52.037 -0.049 0.000 0.823 45 A CB -0.107 18.872 19.000 -0.035 0.000 0.846 45 A HN 0.394 nan 8.150 nan 0.000 0.486 46 S N 0.325 115.946 115.700 -0.133 0.000 2.480 46 S HA 0.386 4.859 4.470 0.006 0.000 0.286 46 S C 0.308 174.704 174.600 -0.340 0.000 1.180 46 S CA -0.370 57.639 58.200 -0.318 0.000 1.075 46 S CB 1.302 64.217 63.200 -0.476 0.000 0.996 46 S HN 0.423 nan 8.310 nan 0.000 0.487 47 S N 2.346 117.829 115.700 -0.362 0.000 2.562 47 S HA 0.587 5.061 4.470 0.006 0.000 0.281 47 S C -0.159 174.267 174.600 -0.289 0.000 1.333 47 S CA -0.336 57.714 58.200 -0.250 0.000 1.052 47 S CB 0.165 63.251 63.200 -0.189 0.000 0.884 47 S HN 0.923 nan 8.310 nan 0.000 0.506 48 A N 4.252 127.004 122.820 -0.114 0.000 2.574 48 A HA 0.567 4.890 4.320 0.006 0.000 0.297 48 A C 0.474 178.080 177.584 0.038 0.000 1.062 48 A CA -0.816 51.220 52.037 -0.002 0.000 0.686 48 A CB 1.124 20.170 19.000 0.075 0.000 1.285 48 A HN 0.888 nan 8.150 nan 0.000 0.403 49 R N -0.145 120.403 120.500 0.081 0.000 2.193 49 R HA 0.080 4.424 4.340 0.006 0.000 0.213 49 R C -0.019 176.334 176.300 0.089 0.000 1.055 49 R CA 0.923 57.068 56.100 0.076 0.000 0.995 49 R CB 0.099 30.452 30.300 0.088 0.000 0.893 49 R HN 0.640 nan 8.270 nan 0.000 0.459 50 R N -0.196 120.381 120.500 0.129 0.000 2.626 50 R HA 0.346 4.689 4.340 0.006 0.000 0.274 50 R C -0.985 175.401 176.300 0.143 0.000 1.031 50 R CA -0.728 55.447 56.100 0.125 0.000 0.898 50 R CB 2.324 32.707 30.300 0.137 0.000 1.222 50 R HN -0.126 nan 8.270 nan 0.000 0.455 51 R N 3.251 123.812 120.500 0.101 0.000 2.352 51 R HA 0.385 4.729 4.340 0.006 0.000 0.304 51 R C -0.833 175.516 176.300 0.082 0.000 1.104 51 R CA -0.386 55.770 56.100 0.095 0.000 0.991 51 R CB 0.646 30.983 30.300 0.062 0.000 1.140 51 R HN 0.547 nan 8.270 nan 0.000 0.540 52 I N 2.838 123.468 120.570 0.101 0.000 2.379 52 I HA 0.040 4.213 4.170 0.006 0.000 0.290 52 I C 0.247 176.396 176.117 0.052 0.000 1.063 52 I CA -0.322 61.028 61.300 0.083 0.000 1.351 52 I CB 0.877 38.940 38.000 0.106 0.000 1.410 52 I HN 0.434 nan 8.210 nan 0.000 0.505 53 D N 6.951 127.372 120.400 0.034 0.000 2.358 53 D HA 0.133 4.777 4.640 0.006 0.000 0.258 53 D C 0.438 176.717 176.300 -0.035 0.000 1.223 53 D CA -0.155 53.849 54.000 0.006 0.000 0.886 53 D CB 1.005 41.811 40.800 0.009 0.000 1.120 53 D HN 0.329 nan 8.370 nan 0.000 0.482 54 V N 1.930 121.811 119.914 -0.056 0.000 2.915 54 V HA 0.611 4.734 4.120 0.006 0.000 0.364 54 V C 0.598 176.636 176.094 -0.093 0.000 1.354 54 V CA -0.498 61.728 62.300 -0.123 0.000 1.213 54 V CB -0.320 31.431 31.823 -0.120 0.000 1.268 54 V HN 0.589 nan 8.190 nan 0.000 0.557 55 A N 0.747 123.532 122.820 -0.058 0.000 2.540 55 A HA 0.521 4.845 4.320 0.006 0.000 0.239 55 A C 1.698 179.256 177.584 -0.045 0.000 1.061 55 A CA 0.989 53.001 52.037 -0.041 0.000 0.758 55 A CB -0.441 18.546 19.000 -0.021 0.000 0.991 55 A HN 2.161 nan 8.150 nan 0.000 0.502 56 G N 1.277 110.053 108.800 -0.040 0.000 2.179 56 G HA2 -0.202 3.762 3.960 0.006 0.000 0.260 56 G HA3 -0.202 3.762 3.960 0.006 0.000 0.260 56 G C 0.282 175.151 174.900 -0.053 0.000 0.977 56 G CA 0.742 45.823 45.100 -0.031 0.000 0.641 56 G HN 0.774 nan 8.290 nan 0.000 0.533 57 K N -0.267 120.079 120.400 -0.091 0.000 2.211 57 K HA 0.798 5.122 4.320 0.006 0.000 0.237 57 K C -0.148 176.324 176.600 -0.212 0.000 1.002 57 K CA -0.854 55.345 56.287 -0.146 0.000 0.885 57 K CB 2.210 34.615 32.500 -0.158 0.000 1.136 57 K HN 0.136 nan 8.250 nan 0.000 0.448 58 V N 1.249 120.923 119.914 -0.400 0.000 2.513 58 V HA 0.323 4.447 4.120 0.006 0.000 0.299 58 V C -0.564 175.322 176.094 -0.347 0.000 1.035 58 V CA -0.920 61.106 62.300 -0.456 0.000 0.889 58 V CB 2.050 33.363 31.823 -0.850 0.000 0.988 58 V HN 0.378 nan 8.190 nan 0.000 0.440 59 V N 4.707 124.532 119.914 -0.149 0.000 2.384 59 V HA 0.709 4.832 4.120 0.006 0.000 0.287 59 V C 0.112 176.227 176.094 0.034 0.000 1.020 59 V CA -0.136 62.144 62.300 -0.033 0.000 0.850 59 V CB 1.600 33.410 31.823 -0.023 0.000 0.987 59 V HN 1.037 nan 8.190 nan 0.000 0.436 60 S N 5.657 121.436 115.700 0.131 0.000 2.697 60 S HA 0.825 5.298 4.470 0.006 0.000 0.289 60 S C -3.192 171.499 174.600 0.152 0.000 1.149 60 S CA -1.905 56.416 58.200 0.201 0.000 0.850 60 S CB 2.530 65.991 63.200 0.434 0.000 1.151 60 S HN 0.399 nan 8.310 nan 0.000 0.491 61 P HA 0.324 nan 4.420 nan 0.000 0.272 61 P C 0.155 177.485 177.300 0.049 0.000 1.240 61 P CA -0.007 63.163 63.100 0.118 0.000 0.791 61 P CB 0.001 31.790 31.700 0.149 0.000 0.978 62 G N 0.780 109.570 108.800 -0.017 0.000 2.491 62 G HA2 0.278 4.241 3.960 0.006 0.000 0.242 62 G HA3 0.278 4.241 3.960 0.006 0.000 0.242 62 G C -0.686 174.156 174.900 -0.096 0.000 1.266 62 G CA -0.262 44.728 45.100 -0.183 0.000 0.844 62 G HN 0.207 nan 8.290 nan 0.000 0.571 63 F N 0.472 120.331 119.950 -0.152 0.000 2.443 63 F HA 0.345 4.877 4.527 0.008 0.000 0.353 63 F C 0.904 176.484 175.800 -0.367 0.000 1.101 63 F CA -1.205 56.612 58.000 -0.306 0.000 1.226 63 F CB 0.724 39.381 39.000 -0.572 0.000 1.140 63 F HN 0.136 nan 8.300 nan 0.000 0.557 64 I N 3.101 123.621 120.570 -0.083 0.000 2.328 64 I HA 0.126 4.300 4.170 0.006 0.000 0.287 64 I C -0.154 175.887 176.117 -0.127 0.000 1.012 64 I CA -0.651 60.581 61.300 -0.114 0.000 1.195 64 I CB 1.002 38.983 38.000 -0.033 0.000 1.350 64 I HN 0.387 nan 8.210 nan 0.000 0.464 65 D N 4.793 125.093 120.400 -0.166 0.000 2.374 65 D HA 0.028 4.672 4.640 0.006 0.000 0.240 65 D C 1.311 177.616 176.300 0.009 0.000 1.229 65 D CA 0.036 54.076 54.000 0.067 0.000 0.895 65 D CB 1.078 41.909 40.800 0.051 0.000 1.046 65 D HN 0.588 nan 8.370 nan 0.000 0.498 66 S N 2.973 118.726 115.700 0.088 0.000 2.515 66 S HA -0.144 4.329 4.470 0.006 0.000 0.231 66 S C 0.706 175.300 174.600 -0.009 0.000 0.987 66 S CA 0.436 58.617 58.200 -0.031 0.000 0.936 66 S CB -0.166 63.202 63.200 0.280 0.000 0.766 66 S HN 0.610 nan 8.310 nan 0.000 0.528 67 H N 1.116 120.177 119.070 -0.014 0.000 2.974 67 H HA 0.468 5.028 4.556 0.007 0.000 0.285 67 H C -0.398 174.876 175.328 -0.091 0.000 1.227 67 H CA 0.073 56.096 56.048 -0.042 0.000 1.569 67 H CB 0.906 30.698 29.762 0.050 0.000 1.648 67 H HN 0.339 nan 8.280 nan 0.000 0.521 68 T N 0.486 114.818 114.554 -0.370 0.000 2.907 68 T HA 0.311 4.665 4.350 0.006 0.000 0.290 68 T C -0.261 174.123 174.700 -0.527 0.000 1.066 68 T CA -0.861 61.070 62.100 -0.281 0.000 1.012 68 T CB 1.732 70.497 68.868 -0.170 0.000 1.184 68 T HN 0.626 nan 8.240 nan 0.000 0.522 69 H N 0.697 119.736 119.070 -0.051 0.000 2.591 69 H HA 0.290 4.850 4.556 0.006 0.000 0.241 69 H C -0.387 174.938 175.328 -0.004 0.000 1.292 69 H CA -0.407 55.633 56.048 -0.012 0.000 1.022 69 H CB 0.318 30.106 29.762 0.043 0.000 1.875 69 H HN 0.626 nan 8.280 nan 0.000 0.570 70 D N 0.187 120.595 120.400 0.013 0.000 2.339 70 D HA -0.038 4.606 4.640 0.006 0.000 0.217 70 D C 1.060 177.428 176.300 0.113 0.000 1.050 70 D CA 0.105 54.133 54.000 0.046 0.000 0.856 70 D CB 0.354 41.142 40.800 -0.021 0.000 0.922 70 D HN 0.354 nan 8.370 nan 0.000 0.518 71 D N 0.819 121.269 120.400 0.084 0.000 2.204 71 D HA -0.237 4.407 4.640 0.006 0.000 0.189 71 D C 1.730 178.106 176.300 0.127 0.000 1.006 71 D CA 1.300 55.333 54.000 0.055 0.000 0.855 71 D CB -0.202 40.534 40.800 -0.106 0.000 0.946 71 D HN 0.130 nan 8.370 nan 0.000 0.448 72 N N -1.471 117.310 118.700 0.136 0.000 2.333 72 N HA -0.109 4.635 4.740 0.006 0.000 0.178 72 N C 1.546 177.207 175.510 0.252 0.000 1.018 72 N CA 0.436 53.580 53.050 0.156 0.000 0.882 72 N CB -0.301 38.211 38.487 0.041 0.000 0.984 72 N HN 0.158 nan 8.380 nan 0.000 0.434 73 Y N 1.066 121.485 120.300 0.198 0.000 2.207 73 Y HA -0.093 4.461 4.550 0.007 0.000 0.287 73 Y C 1.851 177.783 175.900 0.053 0.000 1.156 73 Y CA 1.381 59.545 58.100 0.106 0.000 1.182 73 Y CB -0.205 38.186 38.460 -0.114 0.000 0.979 73 Y HN 0.093 nan 8.280 nan 0.000 0.521 74 L N -0.948 120.343 121.223 0.113 0.000 2.127 74 L HA -0.265 4.079 4.340 0.006 0.000 0.211 74 L C 2.134 178.961 176.870 -0.071 0.000 1.089 74 L CA 1.123 55.966 54.840 0.004 0.000 0.757 74 L CB -0.470 41.585 42.059 -0.006 0.000 0.899 74 L HN 0.276 nan 8.230 nan 0.000 0.434 75 L N -1.146 120.046 121.223 -0.051 0.000 2.168 75 L HA -0.048 4.295 4.340 0.006 0.000 0.203 75 L C 2.419 179.196 176.870 -0.155 0.000 1.078 75 L CA 0.627 55.417 54.840 -0.083 0.000 0.780 75 L CB -0.289 41.771 42.059 0.003 0.000 0.939 75 L HN 0.114 nan 8.230 nan 0.000 0.451 76 K N -1.046 119.226 120.400 -0.213 0.000 2.314 76 K HA 0.115 4.439 4.320 0.006 0.000 0.198 76 K C 0.210 176.295 176.600 -0.859 0.000 1.045 76 K CA 0.749 56.767 56.287 -0.449 0.000 0.988 76 K CB 0.224 32.504 32.500 -0.367 0.000 0.783 76 K HN 0.335 nan 8.250 nan 0.000 0.484 77 H N 0.397 119.199 119.070 -0.448 0.000 2.429 77 H HA 0.281 4.841 4.556 0.006 0.000 0.231 77 H C 0.478 175.607 175.328 -0.331 0.000 1.416 77 H CA -0.176 55.588 56.048 -0.474 0.000 1.443 77 H CB 0.606 29.795 29.762 -0.956 0.000 1.591 77 H HN -0.019 nan 8.280 nan 0.000 0.507 78 R N 0.587 120.999 120.500 -0.147 0.000 2.200 78 R HA -0.129 4.215 4.340 0.006 0.000 0.234 78 R C 1.538 177.726 176.300 -0.187 0.000 1.127 78 R CA 1.611 57.662 56.100 -0.082 0.000 0.989 78 R CB 0.095 30.400 30.300 0.008 0.000 0.869 78 R HN 0.575 nan 8.270 nan 0.000 0.459 79 D N 0.566 120.757 120.400 -0.349 0.000 2.218 79 D HA -0.197 4.447 4.640 0.006 0.000 0.204 79 D C 0.721 176.673 176.300 -0.579 0.000 0.976 79 D CA 0.569 53.993 54.000 -0.960 0.000 0.853 79 D CB -0.050 40.372 40.800 -0.630 0.000 0.939 79 D HN 0.043 nan 8.370 nan 0.000 0.481 80 M N 0.718 120.183 119.600 -0.225 0.000 2.393 80 M HA -0.181 4.303 4.480 0.006 0.000 0.201 80 M C 0.793 176.966 176.300 -0.211 0.000 0.403 80 M CA 0.671 55.906 55.300 -0.107 0.000 0.471 80 M CB -2.924 29.591 32.600 -0.141 0.000 1.669 80 M HN 0.082 nan 8.290 nan 0.000 0.864 81 T N -0.099 114.355 114.554 -0.168 0.000 2.721 81 T HA -0.141 4.213 4.350 0.006 0.000 0.268 81 T C -0.717 173.652 174.700 -0.551 0.000 1.038 81 T CA 1.997 63.983 62.100 -0.189 0.000 1.145 81 T CB -0.616 68.324 68.868 0.120 0.000 0.858 81 T HN 0.392 nan 8.240 nan 0.000 0.459 82 P HA -0.074 nan 4.420 nan 0.000 0.216 82 P C 1.554 178.324 177.300 -0.884 0.000 1.150 82 P CA 1.163 63.271 63.100 -1.654 0.000 0.837 82 P CB 0.073 30.871 31.700 -1.504 0.000 0.786 83 K N -0.523 119.540 120.400 -0.562 0.000 2.141 83 K HA 0.114 4.438 4.320 0.006 0.000 0.202 83 K C 2.141 178.525 176.600 -0.360 0.000 1.045 83 K CA 0.926 56.994 56.287 -0.365 0.000 0.971 83 K CB -1.168 31.166 32.500 -0.277 0.000 0.795 83 K HN 0.281 nan 8.250 nan 0.000 0.459 84 I N 0.445 120.783 120.570 -0.387 0.000 2.454 84 I HA -0.158 4.015 4.170 0.006 0.000 0.254 84 I C 1.943 177.601 176.117 -0.765 0.000 1.156 84 I CA 1.549 62.604 61.300 -0.407 0.000 1.433 84 I CB -0.628 37.234 38.000 -0.228 0.000 1.082 84 I HN -0.048 nan 8.210 nan 0.000 0.432 85 S N 0.505 115.605 115.700 -1.000 0.000 2.555 85 S HA -0.069 4.405 4.470 0.006 0.000 0.230 85 S C 1.676 175.952 174.600 -0.541 0.000 0.978 85 S CA 0.543 57.935 58.200 -1.346 0.000 0.934 85 S CB -0.417 62.248 63.200 -0.891 0.000 0.766 85 S HN 0.716 nan 8.310 nan 0.000 0.533 86 Q N 0.139 119.754 119.800 -0.309 0.000 2.247 86 Q HA 0.374 4.718 4.340 0.006 0.000 0.211 86 Q C 1.111 177.152 176.000 0.069 0.000 0.861 86 Q CA 0.224 56.018 55.803 -0.015 0.000 0.949 86 Q CB 0.721 29.538 28.738 0.131 0.000 1.115 86 Q HN 0.714 nan 8.270 nan 0.000 0.507 87 G N 0.735 109.440 108.800 -0.159 0.000 2.159 87 G HA2 -0.222 3.741 3.960 0.006 0.000 0.227 87 G HA3 -0.222 3.741 3.960 0.006 0.000 0.227 87 G C 0.125 174.781 174.900 -0.407 0.000 0.986 87 G CA -0.177 44.734 45.100 -0.315 0.000 0.651 87 G HN 0.189 nan 8.290 nan 0.000 0.523 88 V N 1.824 121.574 119.914 -0.275 0.000 2.555 88 V HA 0.480 4.604 4.120 0.006 0.000 0.286 88 V C 1.647 177.594 176.094 -0.245 0.000 1.044 88 V CA 1.215 63.327 62.300 -0.314 0.000 1.026 88 V CB 1.256 32.872 31.823 -0.346 0.000 0.981 88 V HN 0.708 nan 8.190 nan 0.000 0.480 89 T N -0.252 114.179 114.554 -0.205 0.000 2.971 89 T HA 0.186 4.539 4.350 0.006 0.000 0.252 89 T C 0.562 175.192 174.700 -0.116 0.000 1.022 89 T CA 0.032 62.052 62.100 -0.133 0.000 0.980 89 T CB 0.424 69.238 68.868 -0.091 0.000 1.044 89 T HN 0.571 nan 8.240 nan 0.000 0.501 90 T N 2.233 116.705 114.554 -0.137 0.000 2.933 90 T HA 0.656 5.009 4.350 0.006 0.000 0.305 90 T C -1.083 173.523 174.700 -0.156 0.000 1.092 90 T CA -0.679 61.343 62.100 -0.130 0.000 1.008 90 T CB 2.295 71.097 68.868 -0.110 0.000 1.102 90 T HN 0.432 nan 8.240 nan 0.000 0.469 91 V N 0.128 119.952 119.914 -0.151 0.000 2.735 91 V HA 0.893 5.017 4.120 0.006 0.000 0.310 91 V C -0.625 175.350 176.094 -0.198 0.000 1.061 91 V CA -0.919 61.283 62.300 -0.164 0.000 0.913 91 V CB 1.790 33.533 31.823 -0.135 0.000 1.005 91 V HN 0.628 nan 8.190 nan 0.000 0.428 92 V N 4.365 124.119 119.914 -0.267 0.000 2.350 92 V HA 0.598 4.721 4.120 0.006 0.000 0.276 92 V C 0.808 176.736 176.094 -0.277 0.000 1.028 92 V CA 0.526 62.617 62.300 -0.349 0.000 0.860 92 V CB 1.242 32.674 31.823 -0.652 0.000 0.990 92 V HN 1.255 nan 8.190 nan 0.000 0.453 93 T N 0.922 115.364 114.554 -0.186 0.000 2.922 93 T HA 0.683 5.036 4.350 0.006 0.000 0.281 93 T C 0.780 175.407 174.700 -0.122 0.000 1.005 93 T CA -0.031 61.978 62.100 -0.151 0.000 0.982 93 T CB 1.595 70.436 68.868 -0.046 0.000 1.158 93 T HN 1.810 nan 8.240 nan 0.000 0.566 94 G N 1.172 109.919 108.800 -0.088 0.000 2.298 94 G HA2 -0.209 3.755 3.960 0.006 0.000 0.287 94 G HA3 -0.209 3.755 3.960 0.006 0.000 0.287 94 G C -0.336 174.540 174.900 -0.040 0.000 1.075 94 G CA 0.004 45.094 45.100 -0.017 0.000 0.960 94 G HN 1.011 nan 8.290 nan 0.000 0.502 95 N N -1.542 117.079 118.700 -0.130 0.000 2.482 95 N HA 0.564 5.307 4.740 0.006 0.000 0.279 95 N C 1.260 176.904 175.510 0.224 0.000 1.182 95 N CA 0.094 53.074 53.050 -0.117 0.000 0.969 95 N CB 0.889 38.985 38.487 -0.652 0.000 1.201 95 N HN 0.635 nan 8.380 nan 0.000 0.523 96 C N 0.611 120.082 119.300 0.285 0.000 4.331 96 C HA -0.110 4.354 4.460 0.006 0.000 0.293 96 C C 1.457 176.648 174.990 0.335 0.000 1.436 96 C CA 0.646 59.928 59.018 0.440 0.000 1.993 96 C CB -2.652 25.532 27.740 0.740 0.000 1.266 96 C HN 1.190 nan 8.230 nan 0.000 0.795 97 G N -0.816 108.115 108.800 0.220 0.000 2.179 97 G HA2 -0.284 3.679 3.960 0.006 0.000 0.260 97 G HA3 -0.284 3.679 3.960 0.006 0.000 0.260 97 G C -0.135 174.856 174.900 0.152 0.000 0.977 97 G CA 0.305 45.520 45.100 0.192 0.000 0.641 97 G HN 0.878 nan 8.290 nan 0.000 0.533 98 I N 2.676 123.351 120.570 0.175 0.000 2.307 98 I HA 0.483 4.657 4.170 0.006 0.000 0.287 98 I C 0.496 176.709 176.117 0.161 0.000 1.054 98 I CA -0.154 61.241 61.300 0.158 0.000 1.218 98 I CB 1.296 39.388 38.000 0.154 0.000 1.398 98 I HN 0.285 nan 8.210 nan 0.000 0.475 99 S N 5.006 120.789 115.700 0.139 0.000 2.566 99 S HA 0.434 4.908 4.470 0.006 0.000 0.298 99 S C 0.340 174.980 174.600 0.066 0.000 1.083 99 S CA -0.857 57.391 58.200 0.080 0.000 0.978 99 S CB 2.438 65.704 63.200 0.110 0.000 1.073 99 S HN 0.503 nan 8.310 nan 0.000 0.491 100 L N 1.424 122.529 121.223 -0.196 0.000 2.093 100 L HA 0.350 4.694 4.340 0.006 0.000 0.208 100 L C 0.813 177.591 176.870 -0.154 0.000 1.085 100 L CA 1.929 56.533 54.840 -0.393 0.000 0.755 100 L CB -0.931 40.734 42.059 -0.656 0.000 0.904 100 L HN 0.977 nan 8.230 nan 0.000 0.435 101 A N -0.521 122.185 122.820 -0.190 0.000 2.384 101 A HA 0.785 5.109 4.320 0.006 0.000 0.312 101 A C -2.657 175.091 177.584 0.274 0.000 1.113 101 A CA -1.396 50.670 52.037 0.048 0.000 0.779 101 A CB 1.018 19.924 19.000 -0.156 0.000 1.307 101 A HN 0.070 nan 8.150 nan 0.000 0.436 102 P HA 0.568 nan 4.420 nan 0.000 0.301 102 P C -1.403 176.024 177.300 0.211 0.000 1.348 102 P CA -0.257 62.988 63.100 0.242 0.000 0.826 102 P CB 1.266 33.102 31.700 0.228 0.000 0.945 103 L N 3.004 124.374 121.223 0.246 0.000 2.847 103 L HA 0.585 4.929 4.340 0.006 0.000 0.261 103 L C -1.674 175.349 176.870 0.255 0.000 0.926 103 L CA -0.447 54.531 54.840 0.231 0.000 1.010 103 L CB 1.460 43.659 42.059 0.233 0.000 1.538 103 L HN 0.421 nan 8.230 nan 0.000 0.465 104 A N 3.883 126.803 122.820 0.167 0.000 2.322 104 A HA 0.740 5.064 4.320 0.006 0.000 0.327 104 A C -1.091 176.568 177.584 0.126 0.000 1.394 104 A CA -0.195 51.916 52.037 0.123 0.000 0.921 104 A CB -0.001 19.028 19.000 0.048 0.000 1.153 104 A HN 0.754 nan 8.150 nan 0.000 0.523 105 H N 1.855 120.952 119.070 0.045 0.000 3.029 105 H HA 0.521 5.081 4.556 0.006 0.000 0.358 105 H C 0.209 175.526 175.328 -0.018 0.000 1.129 105 H CA 0.103 56.134 56.048 -0.028 0.000 1.230 105 H CB 2.139 31.831 29.762 -0.117 0.000 1.827 105 H HN 0.496 nan 8.280 nan 0.000 0.530 106 A N 3.322 126.259 122.820 0.195 0.000 2.132 106 A HA 0.064 4.387 4.320 0.006 0.000 0.213 106 A C 0.337 178.039 177.584 0.196 0.000 1.154 106 A CA 0.396 52.525 52.037 0.152 0.000 0.753 106 A CB 0.178 19.197 19.000 0.032 0.000 0.826 106 A HN 0.610 nan 8.150 nan 0.000 0.469 107 N N 0.663 119.609 118.700 0.410 0.000 2.687 107 N HA 0.196 4.940 4.740 0.006 0.000 0.275 107 N C -3.227 172.050 175.510 -0.388 0.000 1.789 107 N CA -0.745 52.348 53.050 0.072 0.000 0.806 107 N CB 1.194 39.754 38.487 0.121 0.000 1.256 107 N HN 0.249 nan 8.380 nan 0.000 0.500 108 P HA 0.123 nan 4.420 nan 0.000 0.267 108 P C -2.528 174.453 177.300 -0.531 0.000 1.200 108 P CA -0.550 61.974 63.100 -0.961 0.000 0.772 108 P CB 0.083 31.074 31.700 -1.181 0.000 0.855 109 P HA 0.107 nan 4.420 nan 0.000 0.271 109 P C -0.193 177.001 177.300 -0.177 0.000 1.216 109 P CA -0.087 62.875 63.100 -0.230 0.000 0.776 109 P CB 0.469 32.060 31.700 -0.182 0.000 0.881 110 A N 5.641 128.402 122.820 -0.099 0.000 2.483 110 A HA 0.214 4.538 4.320 0.006 0.000 0.238 110 A C -1.250 176.262 177.584 -0.119 0.000 1.070 110 A CA -0.839 51.157 52.037 -0.068 0.000 0.770 110 A CB -0.828 18.170 19.000 -0.003 0.000 1.008 110 A HN 0.485 nan 8.150 nan 0.000 0.497 111 P HA 0.082 nan 4.420 nan 0.000 0.256 111 P C 0.654 177.869 177.300 -0.142 0.000 1.384 111 P CA -0.032 62.930 63.100 -0.230 0.000 0.879 111 P CB 0.173 31.530 31.700 -0.571 0.000 1.403 112 L N 1.624 122.771 121.223 -0.127 0.000 2.191 112 L HA -0.156 4.188 4.340 0.006 0.000 0.212 112 L C 1.970 178.865 176.870 0.042 0.000 1.103 112 L CA 1.901 56.708 54.840 -0.056 0.000 0.769 112 L CB -1.394 40.500 42.059 -0.275 0.000 0.908 112 L HN 0.098 nan 8.230 nan 0.000 0.438 113 D N -0.989 119.399 120.400 -0.020 0.000 2.351 113 D HA -0.210 4.434 4.640 0.006 0.000 0.216 113 D C 2.012 178.310 176.300 -0.003 0.000 0.968 113 D CA 0.720 54.732 54.000 0.020 0.000 0.899 113 D CB -0.567 40.263 40.800 0.050 0.000 0.907 113 D HN 0.327 nan 8.370 nan 0.000 0.514 114 L N -0.466 120.783 121.223 0.043 0.000 2.265 114 L HA -0.042 4.302 4.340 0.006 0.000 0.215 114 L C 2.100 178.982 176.870 0.021 0.000 1.117 114 L CA 0.692 55.551 54.840 0.032 0.000 0.782 114 L CB -0.213 41.857 42.059 0.019 0.000 0.914 114 L HN 0.093 nan 8.230 nan 0.000 0.441 115 L N -1.922 119.311 121.223 0.016 0.000 2.585 115 L HA 0.145 4.489 4.340 0.006 0.000 0.226 115 L C 0.419 177.035 176.870 -0.423 0.000 1.113 115 L CA -0.221 54.553 54.840 -0.109 0.000 0.876 115 L CB -0.087 41.952 42.059 -0.033 0.000 1.072 115 L HN 0.040 nan 8.230 nan 0.000 0.468 116 D N 1.106 121.386 120.400 -0.200 0.000 2.308 116 D HA 0.073 4.717 4.640 0.006 0.000 0.251 116 D C 0.499 176.617 176.300 -0.304 0.000 1.127 116 D CA 0.263 54.171 54.000 -0.153 0.000 0.876 116 D CB 1.373 42.235 40.800 0.103 0.000 1.176 116 D HN 0.109 nan 8.370 nan 0.000 0.446 117 E N 1.028 121.093 120.200 -0.226 0.000 2.526 117 E HA 0.303 4.657 4.350 0.006 0.000 0.208 117 E C 0.068 176.626 176.600 -0.071 0.000 0.997 117 E CA -0.332 55.984 56.400 -0.140 0.000 0.961 117 E CB 0.744 30.403 29.700 -0.067 0.000 1.030 117 E HN 0.642 nan 8.360 nan 0.000 0.483 118 G N 0.103 108.873 108.800 -0.051 0.000 2.992 118 G HA2 0.088 4.051 3.960 0.006 0.000 0.677 118 G HA3 0.088 4.051 3.960 0.006 0.000 0.677 118 G C 0.482 175.380 174.900 -0.004 0.000 1.191 118 G CA -0.308 44.781 45.100 -0.018 0.000 1.178 118 G HN 0.375 nan 8.290 nan 0.000 0.506 119 G N 0.372 109.193 108.800 0.035 0.000 2.198 119 G HA2 -0.100 3.863 3.960 0.006 0.000 0.260 119 G HA3 -0.100 3.863 3.960 0.006 0.000 0.260 119 G C 1.425 176.334 174.900 0.015 0.000 1.025 119 G CA 0.989 46.111 45.100 0.037 0.000 0.769 119 G HN 1.786 nan 8.290 nan 0.000 0.507 120 S N -0.831 114.884 115.700 0.026 0.000 2.436 120 S HA 0.175 4.649 4.470 0.006 0.000 0.228 120 S C 0.871 175.400 174.600 -0.117 0.000 1.014 120 S CA 0.259 58.411 58.200 -0.080 0.000 0.950 120 S CB -0.038 63.057 63.200 -0.174 0.000 0.784 120 S HN 0.396 nan 8.310 nan 0.000 0.504 121 F N 3.152 123.090 119.950 -0.019 0.000 2.619 121 F HA 0.225 4.756 4.527 0.006 0.000 0.350 121 F C 1.506 177.279 175.800 -0.045 0.000 1.259 121 F CA -0.415 57.596 58.000 0.018 0.000 1.204 121 F CB -0.084 38.935 39.000 0.031 0.000 1.556 121 F HN 0.142 nan 8.300 nan 0.000 0.650 122 R N 0.055 120.490 120.500 -0.108 0.000 2.509 122 R HA 0.239 4.583 4.340 0.006 0.000 0.297 122 R C -0.821 175.249 176.300 -0.383 0.000 0.951 122 R CA -0.242 55.693 56.100 -0.276 0.000 1.103 122 R CB -0.078 29.964 30.300 -0.430 0.000 1.283 122 R HN 0.172 nan 8.270 nan 0.000 0.534 123 F N 1.524 121.499 119.950 0.041 0.000 2.390 123 F HA 0.449 4.980 4.527 0.006 0.000 0.361 123 F C 1.427 177.264 175.800 0.062 0.000 1.124 123 F CA -0.680 57.343 58.000 0.039 0.000 1.149 123 F CB 1.670 40.687 39.000 0.028 0.000 1.160 123 F HN 0.064 nan 8.300 nan 0.000 0.501 124 A N 4.524 127.448 122.820 0.173 0.000 1.930 124 A HA 0.032 4.355 4.320 0.006 0.000 0.217 124 A C 1.137 178.817 177.584 0.161 0.000 1.175 124 A CA 0.914 53.032 52.037 0.135 0.000 0.627 124 A CB -0.061 18.989 19.000 0.084 0.000 0.815 124 A HN 0.679 nan 8.150 nan 0.000 0.443 125 R N -2.803 117.808 120.500 0.185 0.000 2.740 125 R HA 0.478 4.822 4.340 0.006 0.000 0.282 125 R C 0.167 176.597 176.300 0.216 0.000 0.969 125 R CA -0.727 55.484 56.100 0.184 0.000 0.918 125 R CB 0.934 31.318 30.300 0.141 0.000 1.175 125 R HN 0.226 nan 8.270 nan 0.000 0.464 126 F N 1.659 121.659 119.950 0.083 0.000 2.161 126 F HA -0.242 4.289 4.527 0.006 0.000 0.300 126 F C 2.288 178.130 175.800 0.070 0.000 1.089 126 F CA 2.292 60.333 58.000 0.068 0.000 1.282 126 F CB 0.059 39.080 39.000 0.035 0.000 1.010 126 F HN 0.623 nan 8.300 nan 0.000 0.485 127 S N -0.646 115.152 115.700 0.164 0.000 2.399 127 S HA -0.211 4.262 4.470 0.006 0.000 0.231 127 S C 1.715 176.302 174.600 -0.022 0.000 1.022 127 S CA 1.432 59.668 58.200 0.059 0.000 0.983 127 S CB -0.710 62.541 63.200 0.084 0.000 0.803 127 S HN 0.423 nan 8.310 nan 0.000 0.480 128 D N 0.390 120.816 120.400 0.042 0.000 2.178 128 D HA -0.067 4.576 4.640 0.006 0.000 0.202 128 D C 1.577 177.843 176.300 -0.056 0.000 0.974 128 D CA 1.172 55.231 54.000 0.099 0.000 0.841 128 D CB -0.451 40.520 40.800 0.286 0.000 0.953 128 D HN 0.615 nan 8.370 nan 0.000 0.478 129 Y N 1.680 121.680 120.300 -0.499 0.000 2.163 129 Y HA -0.108 4.446 4.550 0.006 0.000 0.288 129 Y C 2.184 177.671 175.900 -0.688 0.000 1.136 129 Y CA 1.190 58.623 58.100 -1.113 0.000 1.147 129 Y CB -0.497 37.231 38.460 -1.219 0.000 0.987 129 Y HN -0.135 nan 8.280 nan 0.000 0.509 130 L N 0.084 120.904 121.223 -0.672 0.000 2.083 130 L HA -0.220 4.124 4.340 0.006 0.000 0.209 130 L C 2.324 178.963 176.870 -0.385 0.000 1.083 130 L CA 1.851 56.364 54.840 -0.544 0.000 0.752 130 L CB -0.625 41.272 42.059 -0.269 0.000 0.899 130 L HN 0.270 nan 8.230 nan 0.000 0.433 131 E N 0.232 120.276 120.200 -0.260 0.000 2.110 131 E HA -0.211 4.142 4.350 0.006 0.000 0.193 131 E C 2.326 178.817 176.600 -0.181 0.000 0.988 131 E CA 1.162 57.464 56.400 -0.162 0.000 0.804 131 E CB -0.180 29.473 29.700 -0.078 0.000 0.745 131 E HN 0.502 nan 8.360 nan 0.000 0.458 132 A N 0.900 123.582 122.820 -0.230 0.000 1.933 132 A HA -0.150 4.174 4.320 0.006 0.000 0.218 132 A C 2.142 179.570 177.584 -0.260 0.000 1.175 132 A CA 0.995 52.925 52.037 -0.179 0.000 0.628 132 A CB -0.505 18.438 19.000 -0.094 0.000 0.814 132 A HN 0.134 nan 8.150 nan 0.000 0.444 133 L N -1.153 119.820 121.223 -0.418 0.000 2.027 133 L HA -0.158 4.186 4.340 0.006 0.000 0.206 133 L C 2.846 179.576 176.870 -0.232 0.000 1.074 133 L CA 1.370 55.991 54.840 -0.365 0.000 0.745 133 L CB -0.472 41.298 42.059 -0.482 0.000 0.898 133 L HN 0.348 nan 8.230 nan 0.000 0.433 134 R N -0.005 120.370 120.500 -0.209 0.000 2.120 134 R HA -0.102 4.241 4.340 0.006 0.000 0.234 134 R C 2.353 178.588 176.300 -0.108 0.000 1.123 134 R CA 1.204 57.221 56.100 -0.137 0.000 0.975 134 R CB -0.433 29.798 30.300 -0.115 0.000 0.866 134 R HN 0.335 nan 8.270 nan 0.000 0.446 135 A N 0.982 123.734 122.820 -0.113 0.000 1.968 135 A HA 0.121 4.445 4.320 0.006 0.000 0.217 135 A C 1.288 178.813 177.584 -0.098 0.000 1.169 135 A CA 1.313 53.297 52.037 -0.088 0.000 0.638 135 A CB 0.163 19.117 19.000 -0.076 0.000 0.812 135 A HN 0.293 nan 8.150 nan 0.000 0.446 136 A N 0.447 123.192 122.820 -0.125 0.000 3.216 136 A HA 0.569 4.892 4.320 0.006 0.000 0.321 136 A C -2.850 174.639 177.584 -0.159 0.000 1.042 136 A CA -1.413 50.530 52.037 -0.157 0.000 0.838 136 A CB 0.315 19.218 19.000 -0.161 0.000 1.136 136 A HN 0.213 nan 8.150 nan 0.000 0.483 137 P HA 0.185 nan 4.420 nan 0.000 0.266 137 P C -2.734 174.564 177.300 -0.004 0.000 1.195 137 P CA -0.459 62.604 63.100 -0.063 0.000 0.768 137 P CB 0.741 32.433 31.700 -0.014 0.000 0.838 138 P HA 0.137 nan 4.420 nan 0.000 0.282 138 P C 0.370 177.710 177.300 0.066 0.000 1.287 138 P CA -0.351 62.763 63.100 0.023 0.000 0.792 138 P CB 0.632 32.302 31.700 -0.051 0.000 1.163 139 A N 0.001 122.821 122.820 -0.001 0.000 2.066 139 A HA 0.106 4.429 4.320 0.006 0.000 0.218 139 A C 1.171 178.746 177.584 -0.015 0.000 1.157 139 A CA 1.285 53.323 52.037 0.001 0.000 0.670 139 A CB -1.045 17.859 19.000 -0.161 0.000 0.804 139 A HN 0.480 nan 8.150 nan 0.000 0.453 140 V N -3.142 116.739 119.914 -0.055 0.000 3.019 140 V HA 0.491 4.615 4.120 0.006 0.000 0.317 140 V C -0.620 175.428 176.094 -0.076 0.000 1.094 140 V CA -1.677 60.580 62.300 -0.072 0.000 1.000 140 V CB 1.202 32.962 31.823 -0.105 0.000 1.060 140 V HN 0.227 nan 8.190 nan 0.000 0.443 141 N N 1.272 119.919 118.700 -0.089 0.000 2.482 141 N HA 0.593 5.336 4.740 0.006 0.000 0.260 141 N C -0.262 175.184 175.510 -0.106 0.000 1.236 141 N CA 0.351 53.339 53.050 -0.103 0.000 0.938 141 N CB 1.571 39.986 38.487 -0.119 0.000 1.128 141 N HN 1.194 nan 8.380 nan 0.000 0.448 142 A N 0.238 122.995 122.820 -0.105 0.000 2.359 142 A HA 0.699 5.023 4.320 0.006 0.000 0.303 142 A C -0.840 176.695 177.584 -0.082 0.000 1.066 142 A CA -0.761 51.218 52.037 -0.096 0.000 0.730 142 A CB 1.028 19.974 19.000 -0.090 0.000 1.211 142 A HN 0.633 nan 8.150 nan 0.000 0.439 143 A N 1.779 124.545 122.820 -0.091 0.000 2.277 143 A HA 0.575 4.899 4.320 0.006 0.000 0.318 143 A C -0.313 177.244 177.584 -0.045 0.000 1.339 143 A CA -0.337 51.657 52.037 -0.071 0.000 0.875 143 A CB -0.246 18.677 19.000 -0.127 0.000 1.158 143 A HN 0.965 nan 8.150 nan 0.000 0.514 144 C N 3.165 122.496 119.300 0.051 0.000 2.341 144 C HA 0.715 5.179 4.460 0.006 0.000 0.338 144 C C 0.485 175.578 174.990 0.172 0.000 1.257 144 C CA -0.540 58.567 59.018 0.148 0.000 1.883 144 C CB 0.037 27.960 27.740 0.305 0.000 2.334 144 C HN 0.849 nan 8.230 nan 0.000 0.524 145 M N 1.980 121.648 119.600 0.113 0.000 2.644 145 M HA 0.539 5.022 4.480 0.006 0.000 0.316 145 M C -0.382 175.925 176.300 0.012 0.000 1.200 145 M CA -0.581 54.732 55.300 0.021 0.000 0.944 145 M CB 1.851 34.448 32.600 -0.006 0.000 1.691 145 M HN 0.511 nan 8.290 nan 0.000 0.471 146 V N 1.087 120.887 119.914 -0.190 0.000 2.539 146 V HA 0.779 4.902 4.120 0.006 0.000 0.292 146 V C -0.104 175.970 176.094 -0.032 0.000 1.045 146 V CA -0.215 61.969 62.300 -0.193 0.000 0.945 146 V CB 1.627 33.154 31.823 -0.492 0.000 0.993 146 V HN 0.917 nan 8.190 nan 0.000 0.464 147 G N 3.415 112.242 108.800 0.046 0.000 2.343 147 G HA2 0.249 4.213 3.960 0.006 0.000 0.319 147 G HA3 0.249 4.213 3.960 0.006 0.000 0.319 147 G C 0.589 175.554 174.900 0.108 0.000 1.126 147 G CA -0.055 45.096 45.100 0.085 0.000 0.889 147 G HN 1.024 nan 8.290 nan 0.000 0.457 148 H N 1.862 120.960 119.070 0.047 0.000 2.387 148 H HA -0.114 4.446 4.556 0.006 0.000 0.299 148 H C 1.939 177.305 175.328 0.063 0.000 1.090 148 H CA 1.826 57.909 56.048 0.058 0.000 1.332 148 H CB 0.318 30.127 29.762 0.077 0.000 1.386 148 H HN 0.458 nan 8.280 nan 0.000 0.516 149 S N -0.309 115.350 115.700 -0.068 0.000 2.387 149 S HA -0.093 4.380 4.470 0.006 0.000 0.226 149 S C 2.132 176.673 174.600 -0.098 0.000 1.026 149 S CA 1.314 59.434 58.200 -0.133 0.000 0.972 149 S CB -0.169 63.026 63.200 -0.008 0.000 0.814 149 S HN 0.510 nan 8.310 nan 0.000 0.477 150 T N 3.054 117.598 114.554 -0.017 0.000 2.746 150 T HA 0.027 4.381 4.350 0.006 0.000 0.267 150 T C 1.727 176.428 174.700 0.001 0.000 1.039 150 T CA 0.958 63.068 62.100 0.017 0.000 1.142 150 T CB -0.411 68.520 68.868 0.106 0.000 0.866 150 T HN 0.265 nan 8.240 nan 0.000 0.444 151 L N 0.299 121.515 121.223 -0.010 0.000 2.046 151 L HA -0.082 4.262 4.340 0.006 0.000 0.208 151 L C 2.915 179.757 176.870 -0.047 0.000 1.077 151 L CA 1.378 56.216 54.840 -0.004 0.000 0.747 151 L CB -0.518 41.556 42.059 0.024 0.000 0.896 151 L HN 0.154 nan 8.230 nan 0.000 0.432 152 R N 0.033 120.447 120.500 -0.143 0.000 2.083 152 R HA -0.155 4.189 4.340 0.006 0.000 0.237 152 R C 2.448 178.706 176.300 -0.071 0.000 1.137 152 R CA 1.436 57.456 56.100 -0.133 0.000 0.951 152 R CB -0.518 29.647 30.300 -0.224 0.000 0.851 152 R HN 0.365 nan 8.270 nan 0.000 0.434 153 A N 0.996 123.770 122.820 -0.076 0.000 1.933 153 A HA -0.098 4.225 4.320 0.006 0.000 0.218 153 A C 2.269 179.852 177.584 -0.002 0.000 1.175 153 A CA 1.700 53.702 52.037 -0.058 0.000 0.628 153 A CB -0.463 18.466 19.000 -0.119 0.000 0.814 153 A HN 0.415 nan 8.150 nan 0.000 0.444 154 A N -1.226 121.600 122.820 0.011 0.000 2.067 154 A HA 0.252 4.576 4.320 0.006 0.000 0.217 154 A C 1.971 179.574 177.584 0.032 0.000 1.156 154 A CA 1.557 53.619 52.037 0.042 0.000 0.683 154 A CB -0.211 18.826 19.000 0.060 0.000 0.808 154 A HN 0.353 nan 8.150 nan 0.000 0.455 155 V N -0.699 119.226 119.914 0.017 0.000 2.908 155 V HA 0.149 4.272 4.120 0.006 0.000 0.240 155 V C 0.946 177.046 176.094 0.010 0.000 1.117 155 V CA 0.506 62.816 62.300 0.017 0.000 1.133 155 V CB -0.273 31.561 31.823 0.019 0.000 0.857 155 V HN 0.460 nan 8.190 nan 0.000 0.478 156 M N 1.293 120.893 119.600 0.000 0.000 2.185 156 M HA 0.243 4.726 4.480 0.006 0.000 0.357 156 M C -1.617 174.681 176.300 -0.004 0.000 1.260 156 M CA -1.264 54.033 55.300 -0.004 0.000 1.124 156 M CB 1.129 33.723 32.600 -0.011 0.000 1.600 156 M HN -0.020 nan 8.290 nan 0.000 0.467 157 P HA -0.033 nan 4.420 nan 0.000 0.220 157 P C -0.476 176.816 177.300 -0.013 0.000 1.152 157 P CA 1.165 64.261 63.100 -0.006 0.000 0.812 157 P CB 0.216 31.911 31.700 -0.008 0.000 0.792 158 D N -1.105 119.282 120.400 -0.022 0.000 2.549 158 D HA 0.187 4.831 4.640 0.006 0.000 0.251 158 D C 0.525 176.796 176.300 -0.048 0.000 1.153 158 D CA -0.366 53.612 54.000 -0.038 0.000 0.861 158 D CB 0.859 41.632 40.800 -0.045 0.000 1.207 158 D HN -0.190 nan 8.370 nan 0.000 0.543 159 L N 2.737 123.928 121.223 -0.052 0.000 2.446 159 L HA 0.224 4.568 4.340 0.006 0.000 0.219 159 L C 1.478 178.300 176.870 -0.081 0.000 1.116 159 L CA 0.182 54.995 54.840 -0.045 0.000 0.844 159 L CB 0.004 42.045 42.059 -0.030 0.000 0.970 159 L HN 0.215 nan 8.230 nan 0.000 0.457 160 R N 1.951 122.340 120.500 -0.184 0.000 4.464 160 R HA 0.129 4.473 4.340 0.006 0.000 0.229 160 R C -0.293 175.551 176.300 -0.760 0.000 1.916 160 R CA 0.002 55.790 56.100 -0.520 0.000 1.601 160 R CB -0.332 29.740 30.300 -0.381 0.000 1.315 160 R HN 0.408 nan 8.270 nan 0.000 0.725 161 R N -1.945 118.335 120.500 -0.367 0.000 2.741 161 R HA 0.212 4.556 4.340 0.006 0.000 0.276 161 R C -1.282 175.031 176.300 0.022 0.000 1.028 161 R CA -1.025 54.979 56.100 -0.160 0.000 0.865 161 R CB 0.771 31.002 30.300 -0.115 0.000 1.268 161 R HN 0.005 nan 8.270 nan 0.000 0.475 162 E N 0.566 120.803 120.200 0.062 0.000 2.408 162 E HA 0.372 4.726 4.350 0.006 0.000 0.259 162 E C -0.551 176.079 176.600 0.051 0.000 1.110 162 E CA -0.085 56.362 56.400 0.078 0.000 0.929 162 E CB 0.973 30.713 29.700 0.068 0.000 0.971 162 E HN 0.565 nan 8.360 nan 0.000 0.438 163 A N 2.104 124.963 122.820 0.064 0.000 2.316 163 A HA 0.315 4.639 4.320 0.006 0.000 0.284 163 A C 0.215 177.823 177.584 0.041 0.000 1.115 163 A CA -0.222 51.845 52.037 0.051 0.000 0.812 163 A CB 0.608 19.650 19.000 0.070 0.000 1.064 163 A HN 0.718 nan 8.150 nan 0.000 0.489 164 T N -0.993 113.579 114.554 0.030 0.000 2.754 164 T HA 0.478 4.832 4.350 0.006 0.000 0.286 164 T C 1.389 176.106 174.700 0.029 0.000 0.997 164 T CA 0.013 62.128 62.100 0.025 0.000 0.982 164 T CB 0.907 69.786 68.868 0.018 0.000 1.027 164 T HN 1.204 nan 8.240 nan 0.000 0.529 165 A N 0.648 123.483 122.820 0.024 0.000 1.908 165 A HA -0.089 4.235 4.320 0.006 0.000 0.218 165 A C 2.032 179.632 177.584 0.026 0.000 1.181 165 A CA 1.756 53.808 52.037 0.025 0.000 0.627 165 A CB -1.099 17.913 19.000 0.020 0.000 0.818 165 A HN 0.889 nan 8.150 nan 0.000 0.445 166 D N -0.325 120.088 120.400 0.023 0.000 2.144 166 D HA -0.112 4.531 4.640 0.006 0.000 0.199 166 D C 1.956 178.271 176.300 0.026 0.000 0.984 166 D CA 1.421 55.434 54.000 0.022 0.000 0.834 166 D CB -0.328 40.482 40.800 0.018 0.000 0.955 166 D HN 0.669 nan 8.370 nan 0.000 0.465 167 E N 0.035 120.252 120.200 0.028 0.000 2.106 167 E HA -0.060 4.294 4.350 0.006 0.000 0.192 167 E C 2.297 178.924 176.600 0.044 0.000 0.984 167 E CA 0.346 56.766 56.400 0.032 0.000 0.806 167 E CB 0.073 29.790 29.700 0.029 0.000 0.750 167 E HN 0.306 nan 8.360 nan 0.000 0.458 168 I N 1.103 121.702 120.570 0.049 0.000 2.315 168 I HA -0.287 3.887 4.170 0.006 0.000 0.248 168 I C 2.356 178.505 176.117 0.052 0.000 1.117 168 I CA 1.182 62.518 61.300 0.060 0.000 1.404 168 I CB -0.198 37.835 38.000 0.055 0.000 1.071 168 I HN 0.127 nan 8.210 nan 0.000 0.419 169 Q N 0.561 120.386 119.800 0.041 0.000 2.084 169 Q HA -0.170 4.174 4.340 0.006 0.000 0.202 169 Q C 2.460 178.484 176.000 0.040 0.000 0.978 169 Q CA 1.807 57.632 55.803 0.038 0.000 0.844 169 Q CB -0.243 28.514 28.738 0.031 0.000 0.898 169 Q HN 0.567 nan 8.270 nan 0.000 0.426 170 A N 0.604 123.447 122.820 0.039 0.000 1.877 170 A HA -0.184 4.140 4.320 0.006 0.000 0.216 170 A C 2.048 179.659 177.584 0.044 0.000 1.186 170 A CA 1.369 53.429 52.037 0.038 0.000 0.620 170 A CB -0.466 18.554 19.000 0.034 0.000 0.822 170 A HN 0.291 nan 8.150 nan 0.000 0.443 171 M N -1.081 118.550 119.600 0.052 0.000 2.117 171 M HA -0.178 4.306 4.480 0.006 0.000 0.262 171 M C 2.515 178.853 176.300 0.063 0.000 1.065 171 M CA 1.666 57.003 55.300 0.062 0.000 1.114 171 M CB -0.402 32.250 32.600 0.087 0.000 1.361 171 M HN 0.552 nan 8.290 nan 0.000 0.408 172 Q N 0.752 120.589 119.800 0.062 0.000 2.084 172 Q HA -0.171 4.173 4.340 0.006 0.000 0.202 172 Q C 1.980 178.007 176.000 0.046 0.000 0.978 172 Q CA 2.070 57.907 55.803 0.056 0.000 0.844 172 Q CB -0.146 28.624 28.738 0.053 0.000 0.898 172 Q HN 0.530 nan 8.270 nan 0.000 0.426 173 A N 0.879 123.725 122.820 0.044 0.000 1.902 173 A HA -0.138 4.186 4.320 0.006 0.000 0.217 173 A C 2.268 179.872 177.584 0.033 0.000 1.181 173 A CA 1.212 53.274 52.037 0.041 0.000 0.623 173 A CB -0.680 18.345 19.000 0.041 0.000 0.818 173 A HN 0.418 nan 8.150 nan 0.000 0.443 174 L N -0.885 120.358 121.223 0.034 0.000 2.056 174 L HA -0.180 4.164 4.340 0.006 0.000 0.207 174 L C 3.108 179.970 176.870 -0.012 0.000 1.078 174 L CA 1.033 55.891 54.840 0.031 0.000 0.749 174 L CB -0.566 41.521 42.059 0.046 0.000 0.901 174 L HN 0.438 nan 8.230 nan 0.000 0.433 175 A N 0.022 122.833 122.820 -0.015 0.000 1.902 175 A HA -0.299 4.024 4.320 0.006 0.000 0.217 175 A C 1.966 179.491 177.584 -0.099 0.000 1.181 175 A CA 2.184 54.184 52.037 -0.062 0.000 0.623 175 A CB -0.702 18.296 19.000 -0.004 0.000 0.818 175 A HN 0.464 nan 8.150 nan 0.000 0.443 176 D N -0.503 119.874 120.400 -0.038 0.000 2.144 176 D HA -0.148 4.496 4.640 0.006 0.000 0.199 176 D C 1.270 177.498 176.300 -0.119 0.000 0.984 176 D CA 1.433 55.407 54.000 -0.043 0.000 0.834 176 D CB -0.066 40.778 40.800 0.073 0.000 0.955 176 D HN 0.367 nan 8.370 nan 0.000 0.465 177 D N -0.230 120.138 120.400 -0.053 0.000 2.144 177 D HA -0.085 4.558 4.640 0.006 0.000 0.200 177 D C 2.015 178.278 176.300 -0.061 0.000 0.978 177 D CA 1.127 55.111 54.000 -0.027 0.000 0.833 177 D CB -0.357 40.462 40.800 0.032 0.000 0.961 177 D HN 0.317 nan 8.370 nan 0.000 0.470 178 A N 0.905 123.642 122.820 -0.140 0.000 1.877 178 A HA -0.121 4.202 4.320 0.006 0.000 0.216 178 A C 2.405 179.803 177.584 -0.311 0.000 1.186 178 A CA 0.919 52.770 52.037 -0.309 0.000 0.620 178 A CB -0.820 17.712 19.000 -0.781 0.000 0.822 178 A HN 0.189 nan 8.150 nan 0.000 0.443 179 L N -0.790 120.214 121.223 -0.364 0.000 2.083 179 L HA -0.179 4.165 4.340 0.006 0.000 0.209 179 L C 3.035 179.657 176.870 -0.413 0.000 1.083 179 L CA 0.997 55.599 54.840 -0.397 0.000 0.752 179 L CB -0.508 41.240 42.059 -0.519 0.000 0.899 179 L HN 0.440 nan 8.230 nan 0.000 0.433 180 A N -0.899 121.648 122.820 -0.454 0.000 2.015 180 A HA -0.141 4.183 4.320 0.006 0.000 0.219 180 A C 2.396 179.963 177.584 -0.028 0.000 1.163 180 A CA 1.792 53.719 52.037 -0.184 0.000 0.646 180 A CB -0.387 18.590 19.000 -0.038 0.000 0.806 180 A HN 0.370 nan 8.150 nan 0.000 0.448 181 S N -1.916 113.784 115.700 -0.000 0.000 2.562 181 S HA 0.339 4.813 4.470 0.006 0.000 0.221 181 S C 1.350 176.009 174.600 0.099 0.000 0.975 181 S CA 0.891 59.140 58.200 0.082 0.000 0.918 181 S CB 0.261 63.565 63.200 0.174 0.000 0.772 181 S HN 1.424 nan 8.310 nan 0.000 0.531 182 G N 0.610 109.452 108.800 0.070 0.000 2.273 182 G HA2 -0.008 3.955 3.960 0.006 0.000 0.162 182 G HA3 -0.008 3.955 3.960 0.006 0.000 0.162 182 G C 0.140 175.101 174.900 0.102 0.000 1.006 182 G CA -0.338 44.811 45.100 0.082 0.000 0.704 182 G HN 0.692 nan 8.290 nan 0.000 0.487 183 A N 0.846 123.714 122.820 0.079 0.000 2.531 183 A HA 0.551 4.874 4.320 0.006 0.000 0.236 183 A C 1.566 179.145 177.584 -0.009 0.000 1.062 183 A CA 0.645 52.687 52.037 0.008 0.000 0.760 183 A CB -0.105 18.656 19.000 -0.398 0.000 0.995 183 A HN 1.421 nan 8.150 nan 0.000 0.501 184 I N -0.160 120.429 120.570 0.031 0.000 3.793 184 I HA 0.512 4.686 4.170 0.006 0.000 0.315 184 I C 0.684 176.838 176.117 0.062 0.000 1.275 184 I CA 0.469 61.802 61.300 0.056 0.000 1.214 184 I CB -0.214 37.839 38.000 0.088 0.000 1.018 184 I HN 0.674 nan 8.210 nan 0.000 0.439 185 G N 1.103 109.912 108.800 0.016 0.000 2.340 185 G HA2 0.537 4.500 3.960 0.006 0.000 0.299 185 G HA3 0.537 4.500 3.960 0.006 0.000 0.299 185 G C -1.761 173.124 174.900 -0.025 0.000 1.291 185 G CA -0.753 44.363 45.100 0.027 0.000 0.841 185 G HN 0.089 nan 8.290 nan 0.000 0.500 186 I N 1.158 121.727 120.570 -0.001 0.000 2.582 186 I HA 0.536 4.709 4.170 0.006 0.000 0.292 186 I C 0.158 176.234 176.117 -0.069 0.000 1.066 186 I CA -0.830 60.460 61.300 -0.016 0.000 1.053 186 I CB 2.434 40.458 38.000 0.040 0.000 1.241 186 I HN 0.697 nan 8.210 nan 0.000 0.421 187 S N 2.992 118.659 115.700 -0.056 0.000 2.607 187 S HA 0.886 5.360 4.470 0.006 0.000 0.303 187 S C -0.401 174.183 174.600 -0.027 0.000 1.086 187 S CA -0.523 57.608 58.200 -0.115 0.000 0.995 187 S CB 2.128 65.310 63.200 -0.031 0.000 1.084 187 S HN 0.701 nan 8.310 nan 0.000 0.507 188 T N -2.750 111.767 114.554 -0.061 0.000 2.906 188 T HA 0.801 5.155 4.350 0.006 0.000 0.295 188 T C -0.075 174.734 174.700 0.182 0.000 1.075 188 T CA -0.607 61.558 62.100 0.108 0.000 1.005 188 T CB 1.474 70.385 68.868 0.071 0.000 1.136 188 T HN 1.415 nan 8.240 nan 0.000 0.498 189 G N -0.207 108.749 108.800 0.259 0.000 4.079 189 G HA2 0.559 4.523 3.960 0.006 0.000 0.271 189 G HA3 0.559 4.523 3.960 0.006 0.000 0.271 189 G C 0.708 175.739 174.900 0.218 0.000 1.144 189 G CA -0.021 45.242 45.100 0.272 0.000 0.700 189 G HN 1.091 nan 8.290 nan 0.000 0.500 190 A N 0.431 123.357 122.820 0.177 0.000 2.225 190 A HA 0.072 4.396 4.320 0.006 0.000 0.215 190 A C 1.689 179.311 177.584 0.062 0.000 1.164 190 A CA 1.121 53.238 52.037 0.134 0.000 0.710 190 A CB -0.359 18.712 19.000 0.117 0.000 0.780 190 A HN 0.880 nan 8.150 nan 0.000 0.473 191 F N -0.423 119.406 119.950 -0.202 0.000 2.234 191 F HA 0.028 4.559 4.527 0.007 0.000 0.299 191 F C 0.400 175.970 175.800 -0.384 0.000 1.087 191 F CA 0.244 58.028 58.000 -0.361 0.000 1.340 191 F CB -0.229 38.370 39.000 -0.668 0.000 1.031 191 F HN 0.234 nan 8.300 nan 0.000 0.500 192 Y N 0.881 121.101 120.300 -0.133 0.000 2.301 192 Y HA 0.258 4.812 4.550 0.006 0.000 0.328 192 Y C -1.012 174.802 175.900 -0.143 0.000 1.242 192 Y CA -2.711 55.269 58.100 -0.200 0.000 1.323 192 Y CB -0.595 37.834 38.460 -0.052 0.000 1.266 192 Y HN -0.183 nan 8.280 nan 0.000 0.527 193 P HA -0.187 nan 4.420 nan 0.000 0.216 193 P C -1.275 176.061 177.300 0.060 0.000 1.157 193 P CA 2.246 65.361 63.100 0.024 0.000 0.880 193 P CB -0.806 30.900 31.700 0.009 0.000 0.791 194 P HA -0.125 nan 4.420 nan 0.000 0.218 194 P C 0.764 178.091 177.300 0.044 0.000 1.146 194 P CA 2.084 65.195 63.100 0.019 0.000 0.813 194 P CB -0.416 31.272 31.700 -0.019 0.000 0.778 195 A N -1.988 120.886 122.820 0.090 0.000 2.585 195 A HA 0.577 4.901 4.320 0.006 0.000 0.266 195 A C 1.771 179.429 177.584 0.123 0.000 1.178 195 A CA 0.449 52.564 52.037 0.132 0.000 0.966 195 A CB -0.473 18.647 19.000 0.200 0.000 1.170 195 A HN 0.070 nan 8.150 nan 0.000 0.558 196 A N -0.436 122.418 122.820 0.057 0.000 2.076 196 A HA -0.165 4.158 4.320 0.006 0.000 0.220 196 A C 1.643 179.138 177.584 -0.150 0.000 1.160 196 A CA 1.508 53.502 52.037 -0.072 0.000 0.653 196 A CB -0.774 18.124 19.000 -0.171 0.000 0.801 196 A HN 0.648 nan 8.150 nan 0.000 0.455 197 H N -0.973 118.114 119.070 0.028 0.000 2.551 197 H HA 0.380 4.940 4.556 0.006 0.000 0.271 197 H C 0.875 176.233 175.328 0.050 0.000 0.984 197 H CA 0.381 56.445 56.048 0.027 0.000 1.164 197 H CB -0.045 29.727 29.762 0.016 0.000 1.437 197 H HN 0.500 nan 8.280 nan 0.000 0.550 198 A N 2.079 125.000 122.820 0.169 0.000 2.409 198 A HA 0.278 4.601 4.320 0.006 0.000 0.262 198 A C 0.852 178.495 177.584 0.098 0.000 1.113 198 A CA -0.250 51.889 52.037 0.169 0.000 0.790 198 A CB 0.211 19.387 19.000 0.294 0.000 1.046 198 A HN 0.358 nan 8.150 nan 0.000 0.496 199 S N 1.985 117.730 115.700 0.075 0.000 2.645 199 S HA 0.290 4.764 4.470 0.006 0.000 0.266 199 S C 1.087 175.698 174.600 0.018 0.000 1.258 199 S CA 0.231 58.454 58.200 0.038 0.000 0.990 199 S CB 0.677 63.897 63.200 0.033 0.000 0.967 199 S HN 0.640 nan 8.310 nan 0.000 0.556 200 T N 1.236 115.791 114.554 0.001 0.000 2.788 200 T HA -0.070 4.283 4.350 0.006 0.000 0.268 200 T C 1.563 176.247 174.700 -0.027 0.000 1.044 200 T CA 1.380 63.469 62.100 -0.018 0.000 1.139 200 T CB -0.392 68.462 68.868 -0.024 0.000 0.867 200 T HN 0.614 nan 8.240 nan 0.000 0.454 201 E N 1.050 121.243 120.200 -0.012 0.000 2.153 201 E HA -0.125 4.229 4.350 0.006 0.000 0.194 201 E C 2.180 178.778 176.600 -0.003 0.000 0.988 201 E CA 0.803 57.197 56.400 -0.010 0.000 0.811 201 E CB -0.252 29.448 29.700 0.000 0.000 0.746 201 E HN 0.670 nan 8.360 nan 0.000 0.466 202 E N 0.597 120.804 120.200 0.012 0.000 2.051 202 E HA -0.156 4.198 4.350 0.006 0.000 0.192 202 E C 2.239 178.836 176.600 -0.005 0.000 0.991 202 E CA 0.764 57.184 56.400 0.033 0.000 0.799 202 E CB -0.089 29.660 29.700 0.082 0.000 0.748 202 E HN 0.194 nan 8.360 nan 0.000 0.449 203 I N 0.910 121.438 120.570 -0.071 0.000 2.226 203 I HA -0.297 3.876 4.170 0.006 0.000 0.245 203 I C 2.456 178.526 176.117 -0.079 0.000 1.100 203 I CA 0.990 62.194 61.300 -0.159 0.000 1.374 203 I CB -0.211 37.706 38.000 -0.139 0.000 1.057 203 I HN 0.217 nan 8.210 nan 0.000 0.413 204 I N 0.334 120.861 120.570 -0.072 0.000 2.127 204 I HA -0.278 3.896 4.170 0.006 0.000 0.241 204 I C 2.590 178.690 176.117 -0.028 0.000 1.075 204 I CA 1.299 62.556 61.300 -0.071 0.000 1.334 204 I CB -0.434 37.526 38.000 -0.067 0.000 1.040 204 I HN 0.222 nan 8.210 nan 0.000 0.405 205 E N 0.485 120.680 120.200 -0.009 0.000 2.077 205 E HA -0.158 4.196 4.350 0.006 0.000 0.193 205 E C 2.404 179.022 176.600 0.030 0.000 0.989 205 E CA 1.129 57.536 56.400 0.012 0.000 0.800 205 E CB -0.515 29.197 29.700 0.021 0.000 0.746 205 E HN 0.331 nan 8.360 nan 0.000 0.452 206 V N 0.548 120.486 119.914 0.040 0.000 2.490 206 V HA -0.225 3.899 4.120 0.006 0.000 0.250 206 V C 2.200 178.333 176.094 0.065 0.000 1.061 206 V CA 1.395 63.737 62.300 0.070 0.000 1.064 206 V CB -0.400 31.497 31.823 0.123 0.000 0.670 206 V HN 0.278 nan 8.190 nan 0.000 0.461 207 C N -0.222 119.109 119.300 0.053 0.000 2.626 207 C HA 0.116 4.580 4.460 0.006 0.000 0.266 207 C C 2.570 177.593 174.990 0.055 0.000 1.317 207 C CA -0.523 58.538 59.018 0.072 0.000 1.716 207 C CB -1.316 26.491 27.740 0.112 0.000 1.819 207 C HN 0.452 nan 8.230 nan 0.000 0.578 208 R N 2.077 122.601 120.500 0.039 0.000 2.133 208 R HA -0.141 4.203 4.340 0.006 0.000 0.247 208 R C -0.494 175.839 176.300 0.056 0.000 1.151 208 R CA 1.530 57.650 56.100 0.034 0.000 0.971 208 R CB -2.091 28.225 30.300 0.027 0.000 0.866 208 R HN 0.396 nan 8.270 nan 0.000 0.447 209 P HA -0.068 nan 4.420 nan 0.000 0.225 209 P C 1.224 178.630 177.300 0.177 0.000 1.148 209 P CA 0.823 64.016 63.100 0.154 0.000 0.779 209 P CB -0.143 31.664 31.700 0.178 0.000 0.780 210 L N -1.246 120.046 121.223 0.115 0.000 2.131 210 L HA -0.153 4.191 4.340 0.006 0.000 0.210 210 L C 2.287 179.208 176.870 0.085 0.000 1.092 210 L CA 1.228 56.134 54.840 0.109 0.000 0.759 210 L CB -0.585 41.533 42.059 0.099 0.000 0.903 210 L HN 0.018 nan 8.230 nan 0.000 0.435 211 I N -0.746 119.856 120.570 0.053 0.000 2.500 211 I HA -0.223 3.951 4.170 0.006 0.000 0.252 211 I C 2.267 178.383 176.117 -0.000 0.000 1.142 211 I CA 1.088 62.402 61.300 0.024 0.000 1.451 211 I CB 0.100 38.105 38.000 0.008 0.000 1.093 211 I HN 0.200 nan 8.210 nan 0.000 0.430 212 T N -0.303 114.236 114.554 -0.025 0.000 2.777 212 T HA -0.137 4.217 4.350 0.006 0.000 0.266 212 T C 1.627 176.193 174.700 -0.224 0.000 1.040 212 T CA 1.248 63.261 62.100 -0.144 0.000 1.141 212 T CB -0.322 68.409 68.868 -0.228 0.000 0.868 212 T HN 0.440 nan 8.240 nan 0.000 0.444 213 H N 0.022 119.100 119.070 0.014 0.000 2.592 213 H HA 0.323 4.883 4.556 0.006 0.000 0.265 213 H C 1.716 177.056 175.328 0.019 0.000 0.955 213 H CA 0.515 56.572 56.048 0.016 0.000 1.175 213 H CB 0.194 29.963 29.762 0.012 0.000 1.433 213 H HN 0.508 nan 8.280 nan 0.000 0.537 214 G N 1.343 110.210 108.800 0.111 0.000 2.256 214 G HA2 -0.204 3.760 3.960 0.006 0.000 0.272 214 G HA3 -0.204 3.760 3.960 0.006 0.000 0.272 214 G C 0.601 175.552 174.900 0.086 0.000 1.076 214 G CA 0.295 45.442 45.100 0.079 0.000 0.882 214 G HN 0.685 nan 8.290 nan 0.000 0.497 215 G N -1.735 107.122 108.800 0.095 0.000 2.613 215 G HA2 0.934 4.898 3.960 0.006 0.000 0.303 215 G HA3 0.934 4.898 3.960 0.006 0.000 0.303 215 G C 0.326 175.277 174.900 0.085 0.000 1.312 215 G CA 0.098 45.249 45.100 0.085 0.000 1.036 215 G HN 1.601 nan 8.290 nan 0.000 0.513 216 V N -2.634 117.336 119.914 0.093 0.000 2.975 216 V HA 0.730 4.853 4.120 0.006 0.000 0.318 216 V C -0.978 175.198 176.094 0.136 0.000 1.077 216 V CA -1.339 61.016 62.300 0.093 0.000 1.000 216 V CB 1.621 33.468 31.823 0.040 0.000 1.066 216 V HN 0.697 nan 8.190 nan 0.000 0.452 217 Y N 2.215 122.529 120.300 0.023 0.000 2.331 217 Y HA 0.799 5.352 4.550 0.005 0.000 0.338 217 Y C 0.030 175.955 175.900 0.040 0.000 0.976 217 Y CA -0.255 57.864 58.100 0.030 0.000 1.137 217 Y CB 0.834 39.305 38.460 0.018 0.000 1.172 217 Y HN 1.138 nan 8.280 nan 0.000 0.478 218 A N 4.397 126.963 122.820 -0.423 0.000 2.355 218 A HA 0.773 5.097 4.320 0.006 0.000 0.324 218 A C -0.769 176.539 177.584 -0.461 0.000 1.117 218 A CA -0.536 51.342 52.037 -0.266 0.000 0.785 218 A CB 1.588 20.563 19.000 -0.042 0.000 1.254 218 A HN 0.706 nan 8.150 nan 0.000 0.453 219 T N -0.159 114.265 114.554 -0.216 0.000 2.993 219 T HA 0.419 4.772 4.350 0.006 0.000 0.312 219 T C -1.377 173.336 174.700 0.023 0.000 1.115 219 T CA -0.387 61.643 62.100 -0.118 0.000 1.027 219 T CB 0.802 69.632 68.868 -0.064 0.000 1.116 219 T HN 0.820 nan 8.240 nan 0.000 0.464 220 H N 5.727 124.806 119.070 0.016 0.000 2.690 220 H HA 0.529 5.090 4.556 0.007 0.000 0.289 220 H C 0.734 176.097 175.328 0.059 0.000 1.089 220 H CA -0.942 55.134 56.048 0.047 0.000 1.299 220 H CB 0.364 30.281 29.762 0.258 0.000 1.405 220 H HN 0.547 nan 8.280 nan 0.000 0.463 221 M N 3.849 123.577 119.600 0.213 0.000 2.247 221 M HA -0.098 4.386 4.480 0.006 0.000 0.318 221 M C 1.963 178.389 176.300 0.211 0.000 1.054 221 M CA 0.579 55.973 55.300 0.157 0.000 1.117 221 M CB 0.666 33.299 32.600 0.054 0.000 1.515 221 M HN 0.745 nan 8.290 nan 0.000 0.442 222 R N 0.869 121.455 120.500 0.144 0.000 2.139 222 R HA -0.151 4.193 4.340 0.006 0.000 0.243 222 R C -0.179 176.245 176.300 0.206 0.000 1.145 222 R CA 1.780 57.971 56.100 0.151 0.000 0.976 222 R CB 0.180 30.529 30.300 0.083 0.000 0.866 222 R HN 0.781 nan 8.270 nan 0.000 0.449 223 D N -1.995 118.495 120.400 0.149 0.000 2.837 223 D HA 0.099 4.743 4.640 0.006 0.000 0.220 223 D C -1.138 175.195 176.300 0.055 0.000 1.236 223 D CA -0.488 53.600 54.000 0.146 0.000 0.838 223 D CB 1.556 42.466 40.800 0.183 0.000 1.647 223 D HN -0.001 nan 8.370 nan 0.000 0.486 224 E N 1.753 121.945 120.200 -0.014 0.000 2.734 224 E HA 0.316 4.669 4.350 0.006 0.000 0.211 224 E C 0.262 176.834 176.600 -0.046 0.000 0.991 224 E CA -0.432 55.938 56.400 -0.050 0.000 1.065 224 E CB 1.534 31.153 29.700 -0.135 0.000 1.047 224 E HN 0.457 nan 8.360 nan 0.000 0.470 225 G N 0.863 109.653 108.800 -0.016 0.000 3.259 225 G HA2 -0.029 3.935 3.960 0.006 0.000 0.193 225 G HA3 -0.029 3.935 3.960 0.006 0.000 0.193 225 G C 0.710 175.570 174.900 -0.068 0.000 1.457 225 G CA -0.206 44.871 45.100 -0.037 0.000 0.771 225 G HN 0.111 nan 8.290 nan 0.000 0.765 226 E N -0.066 120.050 120.200 -0.140 0.000 2.130 226 E HA -0.184 4.170 4.350 0.006 0.000 0.196 226 E C 0.636 177.019 176.600 -0.361 0.000 0.998 226 E CA 1.029 57.253 56.400 -0.293 0.000 0.806 226 E CB -0.071 29.357 29.700 -0.453 0.000 0.738 226 E HN 0.450 nan 8.360 nan 0.000 0.459 227 H N -0.336 118.737 119.070 0.005 0.000 2.490 227 H HA 0.136 4.696 4.556 0.006 0.000 0.285 227 H C 1.254 176.585 175.328 0.004 0.000 1.127 227 H CA -0.143 55.908 56.048 0.006 0.000 0.993 227 H CB 0.137 29.905 29.762 0.010 0.000 1.653 227 H HN 0.274 nan 8.280 nan 0.000 0.557 228 I N 0.026 120.637 120.570 0.069 0.000 2.546 228 I HA -0.195 3.979 4.170 0.006 0.000 0.255 228 I C 1.651 177.787 176.117 0.031 0.000 1.163 228 I CA 0.495 61.824 61.300 0.047 0.000 1.457 228 I CB 0.238 38.257 38.000 0.032 0.000 1.092 228 I HN 0.015 nan 8.210 nan 0.000 0.434 229 V N 0.980 120.918 119.914 0.040 0.000 2.295 229 V HA -0.317 3.807 4.120 0.006 0.000 0.246 229 V C 2.418 178.521 176.094 0.015 0.000 1.049 229 V CA 1.913 64.233 62.300 0.032 0.000 1.024 229 V CB -0.781 31.070 31.823 0.046 0.000 0.648 229 V HN 0.446 nan 8.190 nan 0.000 0.447 230 Q N 0.404 120.228 119.800 0.040 0.000 2.096 230 Q HA -0.114 4.230 4.340 0.006 0.000 0.204 230 Q C 2.275 178.264 176.000 -0.019 0.000 0.982 230 Q CA 1.978 57.793 55.803 0.020 0.000 0.850 230 Q CB -0.849 27.910 28.738 0.035 0.000 0.901 230 Q HN 0.656 nan 8.270 nan 0.000 0.422 231 A N 0.031 122.845 122.820 -0.010 0.000 1.930 231 A HA -0.113 4.211 4.320 0.006 0.000 0.217 231 A C 2.048 179.544 177.584 -0.146 0.000 1.175 231 A CA 1.049 53.064 52.037 -0.037 0.000 0.627 231 A CB -0.616 18.390 19.000 0.010 0.000 0.815 231 A HN 0.338 nan 8.150 nan 0.000 0.443 232 L N -0.626 120.469 121.223 -0.214 0.000 2.027 232 L HA -0.150 4.194 4.340 0.006 0.000 0.206 232 L C 2.630 179.056 176.870 -0.740 0.000 1.074 232 L CA 1.199 55.710 54.840 -0.549 0.000 0.745 232 L CB -0.452 41.356 42.059 -0.417 0.000 0.898 232 L HN 0.292 nan 8.230 nan 0.000 0.433 233 E N -0.022 120.016 120.200 -0.271 0.000 2.110 233 E HA -0.282 4.072 4.350 0.006 0.000 0.193 233 E C 1.952 178.506 176.600 -0.076 0.000 0.988 233 E CA 1.223 57.589 56.400 -0.056 0.000 0.804 233 E CB -0.163 29.563 29.700 0.043 0.000 0.745 233 E HN 0.527 nan 8.360 nan 0.000 0.458 234 E N 0.332 120.471 120.200 -0.102 0.000 2.085 234 E HA -0.157 4.197 4.350 0.006 0.000 0.194 234 E C 1.770 178.314 176.600 -0.093 0.000 0.994 234 E CA 1.686 58.045 56.400 -0.069 0.000 0.801 234 E CB 0.078 29.751 29.700 -0.046 0.000 0.743 234 E HN 0.103 nan 8.360 nan 0.000 0.453 235 T N 0.434 114.885 114.554 -0.172 0.000 2.746 235 T HA -0.127 4.227 4.350 0.006 0.000 0.267 235 T C 1.371 176.032 174.700 -0.065 0.000 1.039 235 T CA 1.351 63.369 62.100 -0.136 0.000 1.142 235 T CB -0.321 68.417 68.868 -0.217 0.000 0.866 235 T HN 0.170 nan 8.240 nan 0.000 0.444 236 F N 1.494 121.435 119.950 -0.014 0.000 2.186 236 F HA 0.114 4.644 4.527 0.005 0.000 0.299 236 F C 2.482 178.252 175.800 -0.051 0.000 1.090 236 F CA 0.333 58.316 58.000 -0.028 0.000 1.307 236 F CB -0.865 38.124 39.000 -0.018 0.000 1.019 236 F HN -0.016 nan 8.300 nan 0.000 0.489 237 R N 1.183 121.755 120.500 0.119 0.000 2.073 237 R HA -0.110 4.233 4.340 0.006 0.000 0.234 237 R C 2.054 178.332 176.300 -0.037 0.000 1.134 237 R CA 1.530 57.651 56.100 0.035 0.000 0.952 237 R CB -1.101 29.206 30.300 0.012 0.000 0.850 237 R HN 0.335 nan 8.270 nan 0.000 0.433 238 I N -0.053 120.454 120.570 -0.105 0.000 2.208 238 I HA -0.185 3.989 4.170 0.006 0.000 0.245 238 I C 2.271 178.251 176.117 -0.228 0.000 1.097 238 I CA 1.639 62.797 61.300 -0.237 0.000 1.363 238 I CB -0.707 37.012 38.000 -0.468 0.000 1.051 238 I HN 0.453 nan 8.210 nan 0.000 0.413 239 G N 0.561 109.275 108.800 -0.145 0.000 2.442 239 G HA2 -0.232 3.732 3.960 0.006 0.000 0.219 239 G HA3 -0.232 3.732 3.960 0.006 0.000 0.219 239 G C 1.828 176.704 174.900 -0.040 0.000 1.141 239 G CA 0.501 45.559 45.100 -0.070 0.000 0.763 239 G HN 0.308 nan 8.290 nan 0.000 0.554 240 R N -0.046 120.442 120.500 -0.020 0.000 2.090 240 R HA 0.009 4.352 4.340 0.006 0.000 0.228 240 R C 2.467 178.749 176.300 -0.030 0.000 1.110 240 R CA 1.002 57.092 56.100 -0.016 0.000 0.973 240 R CB -0.129 30.170 30.300 -0.002 0.000 0.869 240 R HN 0.252 nan 8.270 nan 0.000 0.440 241 E N 0.859 121.032 120.200 -0.046 0.000 2.106 241 E HA -0.135 4.219 4.350 0.006 0.000 0.192 241 E C 2.030 178.602 176.600 -0.048 0.000 0.984 241 E CA 1.077 57.449 56.400 -0.047 0.000 0.806 241 E CB -0.014 29.651 29.700 -0.059 0.000 0.750 241 E HN 0.349 nan 8.360 nan 0.000 0.458 242 L N 0.096 121.280 121.223 -0.066 0.000 2.307 242 L HA 0.021 4.364 4.340 0.006 0.000 0.211 242 L C 0.392 177.247 176.870 -0.025 0.000 1.099 242 L CA 0.168 54.979 54.840 -0.048 0.000 0.816 242 L CB -0.041 41.977 42.059 -0.069 0.000 0.952 242 L HN 0.034 nan 8.230 nan 0.000 0.455 243 D N 0.528 120.912 120.400 -0.026 0.000 2.716 243 D HA -0.137 4.507 4.640 0.006 0.000 0.239 243 D C -0.541 175.758 176.300 -0.001 0.000 1.125 243 D CA 0.816 54.809 54.000 -0.012 0.000 0.681 243 D CB -0.750 40.044 40.800 -0.010 0.000 1.070 243 D HN 0.162 nan 8.370 nan 0.000 0.432 244 V N -3.695 116.221 119.914 0.003 0.000 3.141 244 V HA 0.938 5.062 4.120 0.006 0.000 0.312 244 V C -2.530 173.584 176.094 0.034 0.000 1.157 244 V CA -2.021 60.294 62.300 0.024 0.000 1.041 244 V CB 2.015 33.865 31.823 0.045 0.000 1.071 244 V HN -0.066 nan 8.190 nan 0.000 0.441 245 P HA 0.415 nan 4.420 nan 0.000 0.271 245 P C -0.615 176.731 177.300 0.076 0.000 1.216 245 P CA -0.068 63.048 63.100 0.027 0.000 0.776 245 P CB 0.974 32.664 31.700 -0.016 0.000 0.881 246 V N 0.910 120.879 119.914 0.092 0.000 2.581 246 V HA 0.654 4.778 4.120 0.006 0.000 0.303 246 V C -0.575 175.569 176.094 0.083 0.000 1.041 246 V CA -0.860 61.547 62.300 0.179 0.000 0.907 246 V CB 2.107 34.080 31.823 0.249 0.000 0.994 246 V HN 0.168 nan 8.190 nan 0.000 0.442 247 V N 5.653 125.602 119.914 0.059 0.000 2.407 247 V HA 0.462 4.586 4.120 0.006 0.000 0.291 247 V C -0.025 176.077 176.094 0.013 0.000 1.018 247 V CA -0.352 61.943 62.300 -0.009 0.000 0.842 247 V CB 1.478 33.265 31.823 -0.059 0.000 0.996 247 V HN 0.840 nan 8.190 nan 0.000 0.426 248 I N 4.069 124.640 120.570 0.003 0.000 2.322 248 I HA 0.205 4.379 4.170 0.006 0.000 0.292 248 I C 0.762 176.838 176.117 -0.069 0.000 1.060 248 I CA 0.457 61.733 61.300 -0.039 0.000 1.309 248 I CB 1.023 38.976 38.000 -0.079 0.000 1.415 248 I HN 0.565 nan 8.210 nan 0.000 0.492 249 S N 4.509 120.114 115.700 -0.158 0.000 2.580 249 S HA 0.105 4.579 4.470 0.006 0.000 0.274 249 S C 0.086 174.331 174.600 -0.593 0.000 1.329 249 S CA -0.447 57.546 58.200 -0.344 0.000 1.036 249 S CB 0.311 63.251 63.200 -0.433 0.000 0.919 249 S HN 0.878 nan 8.310 nan 0.000 0.515 250 H N -0.512 118.432 119.070 -0.211 0.000 2.166 250 H HA -0.232 4.328 4.556 0.005 0.000 0.323 250 H C -0.290 174.907 175.328 -0.219 0.000 0.936 250 H CA 0.735 56.631 56.048 -0.254 0.000 1.073 250 H CB -2.414 27.211 29.762 -0.229 0.000 1.592 250 H HN 0.657 nan 8.280 nan 0.000 0.346 251 H N 2.150 121.150 119.070 -0.116 0.000 2.928 251 H HA 0.396 4.954 4.556 0.004 0.000 0.338 251 H C 0.774 176.007 175.328 -0.158 0.000 1.047 251 H CA 0.661 56.642 56.048 -0.112 0.000 1.435 251 H CB 0.537 30.243 29.762 -0.092 0.000 1.428 251 H HN 0.882 nan 8.280 nan 0.000 0.590 252 K N 1.569 121.587 120.400 -0.637 0.000 2.672 252 K HA 0.519 4.842 4.320 0.006 0.000 0.295 252 K C -1.918 174.413 176.600 -0.448 0.000 1.042 252 K CA -0.813 55.168 56.287 -0.511 0.000 0.869 252 K CB 0.929 33.242 32.500 -0.313 0.000 1.541 252 K HN 0.322 nan 8.250 nan 0.000 0.396 253 V N -1.202 118.560 119.914 -0.254 0.000 2.482 253 V HA 0.593 4.717 4.120 0.006 0.000 0.295 253 V C -0.322 175.775 176.094 0.005 0.000 1.026 253 V CA -0.814 61.417 62.300 -0.115 0.000 0.856 253 V CB 0.823 32.606 31.823 -0.067 0.000 1.001 253 V HN 0.885 nan 8.190 nan 0.000 0.424 254 M N 2.967 122.571 119.600 0.006 0.000 2.472 254 M HA 1.027 5.511 4.480 0.006 0.000 0.331 254 M C 0.240 176.572 176.300 0.054 0.000 1.170 254 M CA 0.076 55.419 55.300 0.072 0.000 1.009 254 M CB 1.846 34.444 32.600 -0.003 0.000 1.672 254 M HN 1.697 nan 8.290 nan 0.000 0.453 255 G N 1.832 110.673 108.800 0.069 0.000 2.907 255 G HA2 -0.142 3.822 3.960 0.006 0.000 0.686 255 G HA3 -0.142 3.822 3.960 0.006 0.000 0.686 255 G C -0.262 174.292 174.900 -0.577 0.000 1.115 255 G CA -0.336 44.674 45.100 -0.151 0.000 0.760 255 G HN 0.989 nan 8.290 nan 0.000 0.620 256 K N 0.727 120.611 120.400 -0.861 0.000 2.160 256 K HA -0.073 4.251 4.320 0.006 0.000 0.206 256 K C 2.468 178.654 176.600 -0.689 0.000 1.047 256 K CA 1.650 57.152 56.287 -1.307 0.000 0.930 256 K CB -0.119 31.975 32.500 -0.676 0.000 0.720 256 K HN 0.519 nan 8.250 nan 0.000 0.450 257 L N 1.067 122.068 121.223 -0.371 0.000 2.551 257 L HA -0.101 4.243 4.340 0.006 0.000 0.228 257 L C 1.091 177.880 176.870 -0.135 0.000 1.153 257 L CA 0.526 55.245 54.840 -0.203 0.000 0.851 257 L CB -0.177 41.792 42.059 -0.151 0.000 0.959 257 L HN 0.235 nan 8.230 nan 0.000 0.451 258 N N -1.244 117.378 118.700 -0.130 0.000 2.171 258 N HA 0.086 4.830 4.740 0.006 0.000 0.212 258 N C 0.075 175.681 175.510 0.160 0.000 1.184 258 N CA -0.115 52.934 53.050 -0.001 0.000 0.888 258 N CB 0.603 39.086 38.487 -0.007 0.000 1.038 258 N HN 0.015 nan 8.380 nan 0.000 0.517 259 F N 1.548 121.476 119.950 -0.036 0.000 2.607 259 F HA 0.189 4.720 4.527 0.007 0.000 0.374 259 F C 1.920 177.702 175.800 -0.031 0.000 1.104 259 F CA 0.727 58.708 58.000 -0.031 0.000 1.296 259 F CB -0.197 38.794 39.000 -0.016 0.000 1.085 259 F HN 0.305 nan 8.300 nan 0.000 0.584 260 G N 3.365 112.240 108.800 0.125 0.000 2.225 260 G HA2 -0.349 3.615 3.960 0.006 0.000 0.254 260 G HA3 -0.349 3.615 3.960 0.006 0.000 0.254 260 G C 1.406 176.322 174.900 0.026 0.000 0.988 260 G CA 0.184 45.315 45.100 0.051 0.000 0.625 260 G HN 0.606 nan 8.290 nan 0.000 0.527 261 R N 1.058 121.577 120.500 0.032 0.000 2.339 261 R HA 0.101 4.445 4.340 0.006 0.000 0.199 261 R C 2.711 179.005 176.300 -0.010 0.000 1.018 261 R CA 1.156 57.262 56.100 0.010 0.000 1.036 261 R CB -0.152 30.155 30.300 0.011 0.000 0.899 261 R HN 0.637 nan 8.270 nan 0.000 0.473 262 S N 0.804 116.482 115.700 -0.036 0.000 2.442 262 S HA -0.141 4.333 4.470 0.006 0.000 0.236 262 S C 1.657 176.234 174.600 -0.040 0.000 1.007 262 S CA 0.794 58.961 58.200 -0.055 0.000 0.965 262 S CB -0.001 63.142 63.200 -0.095 0.000 0.773 262 S HN 0.270 nan 8.310 nan 0.000 0.504 263 K N 1.259 121.644 120.400 -0.026 0.000 2.026 263 K HA -0.141 4.183 4.320 0.006 0.000 0.208 263 K C 2.463 179.051 176.600 -0.020 0.000 1.048 263 K CA 1.671 57.946 56.287 -0.021 0.000 0.929 263 K CB -0.216 32.280 32.500 -0.005 0.000 0.713 263 K HN 0.660 nan 8.250 nan 0.000 0.439 264 E N 0.461 120.657 120.200 -0.005 0.000 2.072 264 E HA -0.177 4.176 4.350 0.006 0.000 0.191 264 E C 1.896 178.502 176.600 0.010 0.000 0.985 264 E CA 1.839 58.242 56.400 0.005 0.000 0.801 264 E CB 0.001 29.709 29.700 0.013 0.000 0.750 264 E HN 0.380 nan 8.360 nan 0.000 0.452 265 T N -0.361 114.207 114.554 0.024 0.000 2.777 265 T HA -0.112 4.242 4.350 0.006 0.000 0.266 265 T C 2.119 176.801 174.700 -0.031 0.000 1.040 265 T CA 1.145 63.281 62.100 0.060 0.000 1.141 265 T CB -0.507 68.486 68.868 0.208 0.000 0.868 265 T HN 0.167 nan 8.240 nan 0.000 0.444 266 L N 0.924 122.072 121.223 -0.124 0.000 2.141 266 L HA 0.068 4.412 4.340 0.006 0.000 0.209 266 L C 3.321 180.027 176.870 -0.272 0.000 1.094 266 L CA 1.023 55.611 54.840 -0.422 0.000 0.763 266 L CB -0.757 40.966 42.059 -0.561 0.000 0.908 266 L HN 0.414 nan 8.230 nan 0.000 0.437 267 A N 0.303 123.060 122.820 -0.104 0.000 1.898 267 A HA -0.138 4.185 4.320 0.006 0.000 0.216 267 A C 2.236 179.814 177.584 -0.010 0.000 1.181 267 A CA 1.232 53.252 52.037 -0.030 0.000 0.620 267 A CB -0.583 18.415 19.000 -0.004 0.000 0.819 267 A HN 0.336 nan 8.150 nan 0.000 0.442 268 L N -0.681 120.550 121.223 0.012 0.000 2.046 268 L HA -0.177 4.167 4.340 0.006 0.000 0.208 268 L C 2.485 179.381 176.870 0.044 0.000 1.077 268 L CA 1.257 56.137 54.840 0.066 0.000 0.747 268 L CB -0.533 41.628 42.059 0.169 0.000 0.896 268 L HN 0.367 nan 8.230 nan 0.000 0.432 269 I N -0.360 120.247 120.570 0.062 0.000 2.202 269 I HA -0.283 3.891 4.170 0.006 0.000 0.242 269 I C 2.642 178.771 176.117 0.021 0.000 1.091 269 I CA 1.268 62.614 61.300 0.076 0.000 1.368 269 I CB -0.240 37.755 38.000 -0.008 0.000 1.058 269 I HN 0.305 nan 8.210 nan 0.000 0.410 270 E N 1.074 121.321 120.200 0.079 0.000 2.085 270 E HA -0.271 4.083 4.350 0.006 0.000 0.194 270 E C 2.271 178.888 176.600 0.028 0.000 0.994 270 E CA 1.419 57.923 56.400 0.172 0.000 0.801 270 E CB -0.033 29.806 29.700 0.233 0.000 0.743 270 E HN 0.503 nan 8.360 nan 0.000 0.453 271 A N 1.022 123.823 122.820 -0.032 0.000 1.902 271 A HA -0.092 4.232 4.320 0.006 0.000 0.217 271 A C 2.354 179.836 177.584 -0.169 0.000 1.181 271 A CA 1.728 53.718 52.037 -0.078 0.000 0.623 271 A CB -0.660 18.298 19.000 -0.070 0.000 0.818 271 A HN 0.397 nan 8.150 nan 0.000 0.443 272 A N -0.520 122.102 122.820 -0.330 0.000 1.933 272 A HA -0.095 4.228 4.320 0.006 0.000 0.218 272 A C 2.187 179.595 177.584 -0.294 0.000 1.175 272 A CA 1.695 53.410 52.037 -0.537 0.000 0.628 272 A CB -0.554 17.618 19.000 -1.381 0.000 0.814 272 A HN 0.526 nan 8.150 nan 0.000 0.444 273 M N -0.470 119.028 119.600 -0.170 0.000 2.358 273 M HA -0.121 4.362 4.480 0.006 0.000 0.264 273 M C 2.269 178.534 176.300 -0.058 0.000 1.064 273 M CA 1.086 56.344 55.300 -0.071 0.000 1.093 273 M CB -0.285 32.318 32.600 0.006 0.000 1.401 273 M HN 0.492 nan 8.290 nan 0.000 0.440 274 A N -0.177 122.603 122.820 -0.067 0.000 2.014 274 A HA -0.077 4.247 4.320 0.006 0.000 0.218 274 A C 2.192 179.744 177.584 -0.054 0.000 1.163 274 A CA 1.736 53.744 52.037 -0.047 0.000 0.652 274 A CB -0.355 18.620 19.000 -0.040 0.000 0.808 274 A HN 0.546 nan 8.150 nan 0.000 0.449 275 S N -1.759 113.894 115.700 -0.080 0.000 2.559 275 S HA 0.267 4.741 4.470 0.006 0.000 0.226 275 S C 0.423 174.984 174.600 -0.065 0.000 1.030 275 S CA 0.068 58.227 58.200 -0.068 0.000 0.956 275 S CB -0.098 63.057 63.200 -0.074 0.000 0.900 275 S HN 0.781 nan 8.310 nan 0.000 0.510 276 Q N -0.138 119.615 119.800 -0.079 0.000 2.648 276 Q HA 0.473 4.817 4.340 0.006 0.000 0.300 276 Q C -2.143 173.832 176.000 -0.042 0.000 0.954 276 Q CA -0.940 54.830 55.803 -0.055 0.000 0.757 276 Q CB 0.573 29.277 28.738 -0.058 0.000 1.482 276 Q HN -0.043 nan 8.270 nan 0.000 0.437 277 D N 1.145 121.535 120.400 -0.017 0.000 2.336 277 D HA 0.380 5.024 4.640 0.006 0.000 0.249 277 D C -1.266 175.042 176.300 0.014 0.000 1.213 277 D CA 0.048 54.044 54.000 -0.006 0.000 0.870 277 D CB 1.055 41.853 40.800 -0.004 0.000 1.076 277 D HN 0.379 nan 8.370 nan 0.000 0.483 278 V N 2.566 122.488 119.914 0.014 0.000 2.709 278 V HA 0.511 4.634 4.120 0.006 0.000 0.308 278 V C -0.048 176.064 176.094 0.031 0.000 1.062 278 V CA -0.697 61.635 62.300 0.054 0.000 0.901 278 V CB 2.235 34.108 31.823 0.084 0.000 1.003 278 V HN 0.509 nan 8.190 nan 0.000 0.425 279 S N 3.979 119.690 115.700 0.017 0.000 2.661 279 S HA 0.932 5.405 4.470 0.006 0.000 0.285 279 S C -1.029 173.574 174.600 0.006 0.000 1.138 279 S CA -0.735 57.452 58.200 -0.022 0.000 0.855 279 S CB 2.243 65.361 63.200 -0.137 0.000 1.136 279 S HN 0.894 nan 8.310 nan 0.000 0.484 280 L N -0.168 121.064 121.223 0.015 0.000 2.622 280 L HA 0.930 5.273 4.340 0.006 0.000 0.258 280 L C -2.191 174.707 176.870 0.047 0.000 0.996 280 L CA -1.012 53.845 54.840 0.029 0.000 0.858 280 L CB 2.120 44.198 42.059 0.033 0.000 1.449 280 L HN 0.699 nan 8.230 nan 0.000 0.411 281 D N 1.027 121.458 120.400 0.053 0.000 2.592 281 D HA 0.927 5.571 4.640 0.006 0.000 0.263 281 D C -0.912 175.402 176.300 0.023 0.000 1.132 281 D CA -0.327 53.709 54.000 0.061 0.000 0.996 281 D CB 2.204 43.079 40.800 0.125 0.000 1.442 281 D HN 1.093 nan 8.370 nan 0.000 0.486 282 A N -0.652 122.166 122.820 -0.003 0.000 2.608 282 A HA 0.622 4.945 4.320 0.006 0.000 0.292 282 A C -1.861 175.683 177.584 -0.066 0.000 1.066 282 A CA -1.182 50.794 52.037 -0.102 0.000 0.676 282 A CB 0.792 19.710 19.000 -0.136 0.000 1.277 282 A HN 0.753 nan 8.150 nan 0.000 0.413 283 Y N -0.450 119.832 120.300 -0.030 0.000 2.420 283 Y HA 0.774 5.329 4.550 0.008 0.000 0.334 283 Y C -2.281 173.639 175.900 0.033 0.000 1.094 283 Y CA -3.186 54.907 58.100 -0.012 0.000 1.126 283 Y CB 0.919 39.379 38.460 -0.000 0.000 1.217 283 Y HN 0.358 nan 8.280 nan 0.000 0.462 284 P HA 0.194 nan 4.420 nan 0.000 0.214 284 P C -1.679 175.554 177.300 -0.111 0.000 1.807 284 P CA 0.361 63.437 63.100 -0.040 0.000 0.921 284 P CB -0.651 30.986 31.700 -0.103 0.000 1.835 285 Y N -1.482 119.000 120.300 0.304 0.000 2.615 285 Y HA 0.218 4.773 4.550 0.008 0.000 0.341 285 Y C 1.295 177.374 175.900 0.298 0.000 1.089 285 Y CA -1.106 57.216 58.100 0.370 0.000 1.049 285 Y CB 1.598 40.362 38.460 0.506 0.000 1.296 285 Y HN -0.225 nan 8.280 nan 0.000 0.470 286 V N -1.553 118.622 119.914 0.434 0.000 3.514 286 V HA 0.740 4.864 4.120 0.006 0.000 0.301 286 V C 0.222 176.427 176.094 0.184 0.000 1.346 286 V CA 0.359 62.807 62.300 0.247 0.000 1.156 286 V CB -0.646 31.297 31.823 0.199 0.000 1.029 286 V HN 0.652 nan 8.190 nan 0.000 0.428 287 A N -0.255 122.698 122.820 0.222 0.000 2.414 287 A HA 0.925 5.249 4.320 0.006 0.000 0.306 287 A C 0.161 177.896 177.584 0.252 0.000 1.054 287 A CA 0.003 51.991 52.037 -0.081 0.000 0.724 287 A CB 1.453 19.833 19.000 -1.032 0.000 1.267 287 A HN 0.670 nan 8.150 nan 0.000 0.418 288 G N -0.443 108.461 108.800 0.173 0.000 2.613 288 G HA2 0.643 4.606 3.960 0.006 0.000 0.303 288 G HA3 0.643 4.606 3.960 0.006 0.000 0.303 288 G C -0.424 174.584 174.900 0.181 0.000 1.312 288 G CA -0.117 45.083 45.100 0.167 0.000 1.036 288 G HN 1.452 nan 8.290 nan 0.000 0.513 289 S N -1.992 113.787 115.700 0.131 0.000 2.548 289 S HA 0.665 5.139 4.470 0.006 0.000 0.278 289 S C -0.661 174.061 174.600 0.203 0.000 1.150 289 S CA 0.207 58.501 58.200 0.155 0.000 0.907 289 S CB 1.636 64.888 63.200 0.087 0.000 1.108 289 S HN 1.228 nan 8.310 nan 0.000 0.459 290 T N 2.743 117.470 114.554 0.288 0.000 2.676 290 T HA 0.417 4.771 4.350 0.006 0.000 0.299 290 T C -0.965 173.896 174.700 0.268 0.000 1.657 290 T CA -0.208 62.070 62.100 0.296 0.000 0.985 290 T CB 0.150 69.283 68.868 0.442 0.000 1.926 290 T HN 1.006 nan 8.240 nan 0.000 0.456 291 M N 1.949 121.693 119.600 0.239 0.000 2.252 291 M HA 0.483 4.966 4.480 0.006 0.000 0.321 291 M C -0.089 176.315 176.300 0.172 0.000 1.070 291 M CA -0.360 55.027 55.300 0.145 0.000 1.143 291 M CB -0.055 32.608 32.600 0.105 0.000 1.498 291 M HN 0.488 nan 8.290 nan 0.000 0.445 292 L N 3.170 124.389 121.223 -0.006 0.000 2.410 292 L HA 0.346 4.690 4.340 0.006 0.000 0.273 292 L C -0.399 176.520 176.870 0.082 0.000 1.144 292 L CA 1.005 55.871 54.840 0.043 0.000 0.863 292 L CB 0.145 42.126 42.059 -0.131 0.000 1.140 292 L HN 0.875 nan 8.230 nan 0.000 0.463 293 K N 3.671 124.160 120.400 0.148 0.000 2.502 293 K HA 0.335 4.658 4.320 0.006 0.000 0.257 293 K C -1.086 175.485 176.600 -0.049 0.000 0.938 293 K CA -0.681 55.625 56.287 0.032 0.000 0.819 293 K CB 1.518 34.052 32.500 0.057 0.000 1.333 293 K HN 0.640 nan 8.250 nan 0.000 0.434 294 Q N 2.590 122.288 119.800 -0.170 0.000 2.452 294 Q HA 0.061 4.405 4.340 0.006 0.000 0.230 294 Q C -1.262 174.646 176.000 -0.153 0.000 1.180 294 Q CA 0.272 55.841 55.803 -0.390 0.000 0.914 294 Q CB 0.485 28.834 28.738 -0.647 0.000 1.408 294 Q HN 0.335 nan 8.270 nan 0.000 0.520 295 D N 1.975 122.392 120.400 0.028 0.000 2.736 295 D HA 0.117 4.761 4.640 0.006 0.000 0.243 295 D C 0.597 177.027 176.300 0.218 0.000 1.304 295 D CA -0.423 53.657 54.000 0.132 0.000 0.934 295 D CB 0.983 41.801 40.800 0.029 0.000 1.382 295 D HN 0.320 nan 8.370 nan 0.000 0.571 296 R N 1.919 122.568 120.500 0.248 0.000 2.105 296 R HA -0.065 4.279 4.340 0.006 0.000 0.239 296 R C 1.692 178.031 176.300 0.065 0.000 1.135 296 R CA 1.051 57.228 56.100 0.128 0.000 0.967 296 R CB -0.251 30.038 30.300 -0.018 0.000 0.861 296 R HN 0.325 nan 8.270 nan 0.000 0.442 297 V N 1.502 121.442 119.914 0.045 0.000 2.302 297 V HA -0.152 3.972 4.120 0.006 0.000 0.243 297 V C 2.555 178.652 176.094 0.004 0.000 1.036 297 V CA 1.243 63.550 62.300 0.011 0.000 1.020 297 V CB -0.532 31.293 31.823 0.003 0.000 0.657 297 V HN 0.173 nan 8.190 nan 0.000 0.453 298 L N -0.353 120.841 121.223 -0.048 0.000 2.043 298 L HA -0.195 4.148 4.340 0.006 0.000 0.212 298 L C 2.205 179.077 176.870 0.003 0.000 1.075 298 L CA 1.642 56.352 54.840 -0.216 0.000 0.752 298 L CB -0.420 41.247 42.059 -0.654 0.000 0.891 298 L HN 0.319 nan 8.230 nan 0.000 0.432 299 L N -0.919 120.358 121.223 0.090 0.000 2.599 299 L HA 0.025 4.369 4.340 0.006 0.000 0.230 299 L C 2.514 179.471 176.870 0.146 0.000 1.141 299 L CA 0.074 55.031 54.840 0.195 0.000 0.877 299 L CB -0.464 41.715 42.059 0.202 0.000 1.009 299 L HN 0.170 nan 8.230 nan 0.000 0.447 300 A N 0.299 123.180 122.820 0.102 0.000 1.930 300 A HA 0.109 4.432 4.320 0.006 0.000 0.217 300 A C 1.522 179.150 177.584 0.074 0.000 1.175 300 A CA 1.352 53.427 52.037 0.063 0.000 0.627 300 A CB -0.510 18.501 19.000 0.019 0.000 0.815 300 A HN 0.387 nan 8.150 nan 0.000 0.443 301 G N -1.396 107.474 108.800 0.117 0.000 2.702 301 G HA2 0.454 4.418 3.960 0.006 0.000 0.254 301 G HA3 0.454 4.418 3.960 0.006 0.000 0.254 301 G C -0.157 174.824 174.900 0.134 0.000 1.380 301 G CA -0.845 44.329 45.100 0.123 0.000 1.042 301 G HN 0.432 nan 8.290 nan 0.000 0.557 302 R N -0.379 120.185 120.500 0.107 0.000 2.538 302 R HA 0.236 4.580 4.340 0.006 0.000 0.282 302 R C -0.881 175.536 176.300 0.196 0.000 1.009 302 R CA 0.639 56.770 56.100 0.052 0.000 1.063 302 R CB -0.188 29.994 30.300 -0.196 0.000 0.945 302 R HN 0.345 nan 8.270 nan 0.000 0.414 303 T N 6.035 120.650 114.554 0.101 0.000 2.879 303 T HA 0.401 4.754 4.350 0.006 0.000 0.290 303 T C -0.612 174.068 174.700 -0.033 0.000 0.993 303 T CA -0.643 61.484 62.100 0.046 0.000 0.975 303 T CB 1.125 70.032 68.868 0.065 0.000 0.981 303 T HN 0.413 nan 8.240 nan 0.000 0.439 304 L N 3.225 124.397 121.223 -0.084 0.000 2.346 304 L HA 0.603 4.947 4.340 0.006 0.000 0.274 304 L C -0.341 176.449 176.870 -0.132 0.000 1.007 304 L CA -1.382 53.413 54.840 -0.073 0.000 0.818 304 L CB 1.513 43.562 42.059 -0.017 0.000 1.284 304 L HN 0.395 nan 8.230 nan 0.000 0.424 305 I N 1.560 122.070 120.570 -0.099 0.000 2.441 305 I HA 0.070 4.244 4.170 0.006 0.000 0.287 305 I C 1.388 177.467 176.117 -0.064 0.000 1.049 305 I CA 0.217 61.444 61.300 -0.121 0.000 1.381 305 I CB 1.401 39.348 38.000 -0.089 0.000 1.409 305 I HN 0.778 nan 8.210 nan 0.000 0.523 306 T N 2.971 117.477 114.554 -0.081 0.000 3.040 306 T HA 0.106 4.460 4.350 0.006 0.000 0.252 306 T C 0.095 174.942 174.700 0.246 0.000 1.064 306 T CA -0.051 62.099 62.100 0.084 0.000 1.110 306 T CB 0.409 69.372 68.868 0.159 0.000 0.921 306 T HN 0.673 nan 8.240 nan 0.000 0.480 307 W N -0.905 120.409 121.300 0.024 0.000 3.173 307 W HA 0.602 5.266 4.660 0.006 0.000 0.313 307 W C -2.316 174.225 176.519 0.037 0.000 1.228 307 W CA -1.986 55.381 57.345 0.036 0.000 1.185 307 W CB 0.706 30.193 29.460 0.045 0.000 1.390 307 W HN 0.012 nan 8.180 nan 0.000 0.568 308 C N 3.757 123.194 119.300 0.228 0.000 2.705 308 C HA 0.322 4.786 4.460 0.006 0.000 0.369 308 C C 1.316 176.430 174.990 0.207 0.000 1.069 308 C CA -0.352 58.700 59.018 0.057 0.000 1.260 308 C CB 1.285 29.048 27.740 0.038 0.000 1.764 308 C HN 0.914 nan 8.230 nan 0.000 0.469 309 K N 4.472 125.006 120.400 0.224 0.000 1.984 309 K HA -0.006 4.317 4.320 0.006 0.000 0.209 309 K C -0.609 175.993 176.600 0.004 0.000 1.046 309 K CA 1.944 58.340 56.287 0.181 0.000 0.934 309 K CB -0.343 32.284 32.500 0.212 0.000 0.717 309 K HN 0.713 nan 8.250 nan 0.000 0.438 310 P HA -0.122 nan 4.420 nan 0.000 0.221 310 P C -0.427 176.470 177.300 -0.672 0.000 1.150 310 P CA 1.240 64.079 63.100 -0.435 0.000 0.800 310 P CB 0.160 31.511 31.700 -0.580 0.000 0.787 311 Y N -1.355 118.963 120.300 0.031 0.000 2.592 311 Y HA 0.361 4.915 4.550 0.006 0.000 0.354 311 Y C -1.843 174.080 175.900 0.039 0.000 1.063 311 Y CA -2.468 55.648 58.100 0.025 0.000 1.205 311 Y CB 0.842 39.307 38.460 0.007 0.000 1.106 311 Y HN -0.074 nan 8.280 nan 0.000 0.649 312 P HA -0.218 nan 4.420 nan 0.000 0.218 312 P C 1.402 178.776 177.300 0.123 0.000 1.146 312 P CA 1.568 64.748 63.100 0.134 0.000 0.813 312 P CB 0.395 32.158 31.700 0.105 0.000 0.778 313 E N 0.112 120.384 120.200 0.120 0.000 2.516 313 E HA -0.098 4.256 4.350 0.006 0.000 0.199 313 E C 1.397 178.041 176.600 0.073 0.000 1.069 313 E CA 0.668 57.120 56.400 0.088 0.000 0.876 313 E CB -1.055 28.692 29.700 0.077 0.000 0.843 313 E HN 0.334 nan 8.360 nan 0.000 0.530 314 L N 0.898 122.173 121.223 0.087 0.000 2.509 314 L HA 0.093 4.437 4.340 0.006 0.000 0.222 314 L C 0.689 177.583 176.870 0.039 0.000 1.123 314 L CA -0.140 54.729 54.840 0.049 0.000 0.856 314 L CB -0.055 42.032 42.059 0.048 0.000 0.985 314 L HN -0.111 nan 8.230 nan 0.000 0.456 315 S N 0.569 116.310 115.700 0.068 0.000 2.544 315 S HA 0.267 4.741 4.470 0.006 0.000 0.290 315 S C 1.226 175.856 174.600 0.051 0.000 1.276 315 S CA 0.710 58.954 58.200 0.073 0.000 1.075 315 S CB 0.762 64.035 63.200 0.121 0.000 0.849 315 S HN 0.606 nan 8.310 nan 0.000 0.494 316 G N 3.223 112.044 108.800 0.035 0.000 2.213 316 G HA2 -0.222 3.742 3.960 0.006 0.000 0.236 316 G HA3 -0.222 3.742 3.960 0.006 0.000 0.236 316 G C 0.150 175.052 174.900 0.004 0.000 0.991 316 G CA -0.327 44.788 45.100 0.025 0.000 0.629 316 G HN 0.627 nan 8.290 nan 0.000 0.517 317 R N 0.876 121.373 120.500 -0.005 0.000 2.560 317 R HA 0.381 4.724 4.340 0.006 0.000 0.270 317 R C -0.457 175.824 176.300 -0.031 0.000 1.074 317 R CA -0.363 55.726 56.100 -0.018 0.000 1.140 317 R CB 0.548 30.837 30.300 -0.019 0.000 1.073 317 R HN 0.275 nan 8.270 nan 0.000 0.527 318 D N 1.970 122.349 120.400 -0.036 0.000 2.312 318 D HA -0.026 4.617 4.640 0.006 0.000 0.252 318 D C 0.858 177.136 176.300 -0.037 0.000 1.150 318 D CA -0.247 53.729 54.000 -0.041 0.000 0.870 318 D CB 1.304 42.076 40.800 -0.047 0.000 1.153 318 D HN 0.225 nan 8.370 nan 0.000 0.457 319 L N 4.816 126.019 121.223 -0.035 0.000 2.131 319 L HA -0.132 4.212 4.340 0.006 0.000 0.210 319 L C 2.017 178.878 176.870 -0.015 0.000 1.092 319 L CA 1.755 56.579 54.840 -0.027 0.000 0.759 319 L CB -0.562 41.487 42.059 -0.017 0.000 0.903 319 L HN 0.507 nan 8.230 nan 0.000 0.435 320 E N -0.068 120.126 120.200 -0.011 0.000 2.077 320 E HA -0.254 4.100 4.350 0.006 0.000 0.193 320 E C 2.103 178.693 176.600 -0.017 0.000 0.989 320 E CA 1.718 58.114 56.400 -0.008 0.000 0.800 320 E CB -0.176 29.518 29.700 -0.011 0.000 0.746 320 E HN 0.617 nan 8.360 nan 0.000 0.452 321 E N -0.310 119.875 120.200 -0.026 0.000 2.047 321 E HA -0.138 4.216 4.350 0.006 0.000 0.191 321 E C 2.171 178.751 176.600 -0.034 0.000 0.987 321 E CA 1.325 57.708 56.400 -0.029 0.000 0.799 321 E CB -0.146 29.535 29.700 -0.032 0.000 0.752 321 E HN 0.362 nan 8.360 nan 0.000 0.449 322 I N 0.831 121.378 120.570 -0.039 0.000 2.226 322 I HA -0.288 3.886 4.170 0.006 0.000 0.245 322 I C 2.546 178.634 176.117 -0.049 0.000 1.100 322 I CA 1.034 62.302 61.300 -0.052 0.000 1.374 322 I CB -0.354 37.611 38.000 -0.057 0.000 1.057 322 I HN 0.127 nan 8.210 nan 0.000 0.413 323 A N 0.866 123.667 122.820 -0.031 0.000 1.858 323 A HA -0.152 4.172 4.320 0.006 0.000 0.216 323 A C 2.589 180.162 177.584 -0.018 0.000 1.190 323 A CA 1.879 53.905 52.037 -0.019 0.000 0.617 323 A CB -1.000 18.001 19.000 0.002 0.000 0.827 323 A HN 0.413 nan 8.150 nan 0.000 0.443 324 A N -0.130 122.680 122.820 -0.017 0.000 1.892 324 A HA -0.235 4.088 4.320 0.006 0.000 0.218 324 A C 1.877 179.447 177.584 -0.022 0.000 1.188 324 A CA 1.872 53.900 52.037 -0.016 0.000 0.631 324 A CB -0.666 18.325 19.000 -0.016 0.000 0.822 324 A HN 0.651 nan 8.150 nan 0.000 0.447 325 E N -0.928 119.253 120.200 -0.030 0.000 2.338 325 E HA -0.092 4.261 4.350 0.006 0.000 0.197 325 E C 1.788 178.362 176.600 -0.042 0.000 1.007 325 E CA 0.543 56.921 56.400 -0.036 0.000 0.849 325 E CB -0.048 29.626 29.700 -0.042 0.000 0.774 325 E HN 0.509 nan 8.360 nan 0.000 0.506 326 R N -0.574 119.899 120.500 -0.044 0.000 2.334 326 R HA 0.105 4.448 4.340 0.006 0.000 0.216 326 R C 0.764 177.047 176.300 -0.027 0.000 0.905 326 R CA 0.474 56.546 56.100 -0.047 0.000 1.064 326 R CB 0.819 31.082 30.300 -0.062 0.000 1.046 326 R HN 0.163 nan 8.270 nan 0.000 0.508 327 G N 2.121 110.909 108.800 -0.020 0.000 2.176 327 G HA2 -0.309 3.655 3.960 0.006 0.000 0.252 327 G HA3 -0.309 3.655 3.960 0.006 0.000 0.252 327 G C -0.245 174.654 174.900 -0.003 0.000 1.024 327 G CA 0.531 45.625 45.100 -0.011 0.000 0.755 327 G HN 0.289 nan 8.290 nan 0.000 0.507 328 K N -0.572 119.828 120.400 0.000 0.000 2.495 328 K HA 0.689 5.013 4.320 0.006 0.000 0.268 328 K C 0.498 177.113 176.600 0.024 0.000 1.008 328 K CA -0.318 55.978 56.287 0.015 0.000 0.882 328 K CB 1.442 33.953 32.500 0.018 0.000 1.443 328 K HN 0.388 nan 8.250 nan 0.000 0.447 329 S N 0.057 115.783 115.700 0.045 0.000 2.600 329 S HA 0.144 4.618 4.470 0.006 0.000 0.265 329 S C 0.845 175.491 174.600 0.077 0.000 1.325 329 S CA -0.433 57.803 58.200 0.061 0.000 1.002 329 S CB 0.985 64.235 63.200 0.084 0.000 0.921 329 S HN 0.582 nan 8.310 nan 0.000 0.554 330 K N -0.198 120.253 120.400 0.085 0.000 2.026 330 K HA -0.149 4.175 4.320 0.006 0.000 0.208 330 K C 1.883 178.548 176.600 0.110 0.000 1.048 330 K CA 1.707 58.044 56.287 0.084 0.000 0.929 330 K CB -0.502 32.055 32.500 0.095 0.000 0.713 330 K HN 0.706 nan 8.250 nan 0.000 0.439 331 Y N 2.539 122.852 120.300 0.023 0.000 2.081 331 Y HA -0.295 4.258 4.550 0.006 0.000 0.280 331 Y C 1.756 177.664 175.900 0.014 0.000 1.163 331 Y CA 1.856 59.969 58.100 0.021 0.000 1.135 331 Y CB -0.118 38.350 38.460 0.013 0.000 0.970 331 Y HN 0.104 nan 8.280 nan 0.000 0.498 332 D N -0.952 119.577 120.400 0.215 0.000 2.219 332 D HA -0.146 4.498 4.640 0.006 0.000 0.205 332 D C 2.139 178.452 176.300 0.021 0.000 0.970 332 D CA 1.102 55.170 54.000 0.114 0.000 0.851 332 D CB -0.282 40.591 40.800 0.122 0.000 0.943 332 D HN 0.355 nan 8.370 nan 0.000 0.488 333 V N 0.150 120.073 119.914 0.014 0.000 3.306 333 V HA -0.092 4.032 4.120 0.006 0.000 0.264 333 V C 2.137 178.215 176.094 -0.025 0.000 1.149 333 V CA 0.501 62.797 62.300 -0.007 0.000 1.143 333 V CB 0.076 31.893 31.823 -0.009 0.000 0.767 333 V HN -0.049 nan 8.190 nan 0.000 0.476 334 V N 1.382 121.262 119.914 -0.057 0.000 2.252 334 V HA -0.174 3.949 4.120 0.006 0.000 0.249 334 V C 0.225 176.282 176.094 -0.061 0.000 1.056 334 V CA 2.937 65.193 62.300 -0.073 0.000 1.022 334 V CB -1.698 30.047 31.823 -0.130 0.000 0.641 334 V HN 0.523 nan 8.190 nan 0.000 0.445 335 P HA -0.215 nan 4.420 nan 0.000 0.216 335 P C 1.563 178.862 177.300 -0.002 0.000 1.153 335 P CA 1.805 64.879 63.100 -0.043 0.000 0.858 335 P CB -0.158 31.516 31.700 -0.044 0.000 0.789 336 E N -0.209 120.005 120.200 0.024 0.000 2.418 336 E HA -0.079 4.274 4.350 0.006 0.000 0.197 336 E C 1.359 178.059 176.600 0.165 0.000 1.026 336 E CA 0.697 57.149 56.400 0.086 0.000 0.862 336 E CB -0.744 29.011 29.700 0.092 0.000 0.799 336 E HN 0.287 nan 8.360 nan 0.000 0.518 337 L N 0.559 121.841 121.223 0.099 0.000 2.640 337 L HA 0.185 4.528 4.340 0.006 0.000 0.230 337 L C 0.920 177.799 176.870 0.015 0.000 1.123 337 L CA -0.175 54.741 54.840 0.126 0.000 0.900 337 L CB 0.084 42.175 42.059 0.053 0.000 1.146 337 L HN 0.044 nan 8.230 nan 0.000 0.484 338 Q N 1.903 121.693 119.800 -0.017 0.000 2.306 338 Q HA 0.262 4.606 4.340 0.006 0.000 0.241 338 Q C -2.099 173.884 176.000 -0.028 0.000 0.948 338 Q CA -1.816 53.955 55.803 -0.053 0.000 0.886 338 Q CB 0.776 29.486 28.738 -0.048 0.000 1.227 338 Q HN -0.034 nan 8.270 nan 0.000 0.457 339 P HA 0.353 nan 4.420 nan 0.000 0.278 339 P C -1.490 175.665 177.300 -0.242 0.000 1.238 339 P CA -0.121 62.963 63.100 -0.026 0.000 0.794 339 P CB 1.318 33.104 31.700 0.143 0.000 0.955 340 A N 1.480 123.923 122.820 -0.629 0.000 2.581 340 A HA 0.789 5.112 4.320 0.006 0.000 0.290 340 A C -0.739 176.001 177.584 -1.405 0.000 1.119 340 A CA -0.352 50.915 52.037 -1.283 0.000 0.670 340 A CB 1.274 19.923 19.000 -0.584 0.000 1.280 340 A HN 0.628 nan 8.150 nan 0.000 0.425 341 G N -1.284 106.508 108.800 -1.679 0.000 2.537 341 G HA2 0.912 4.876 3.960 0.006 0.000 0.308 341 G HA3 0.912 4.876 3.960 0.006 0.000 0.308 341 G C -0.489 174.141 174.900 -0.450 0.000 1.237 341 G CA 0.048 44.663 45.100 -0.809 0.000 0.968 341 G HN 2.071 nan 8.290 nan 0.000 0.481 342 A N -0.256 122.392 122.820 -0.286 0.000 2.588 342 A HA 0.812 5.135 4.320 0.006 0.000 0.290 342 A C -1.479 175.834 177.584 -0.451 0.000 1.136 342 A CA -0.612 51.169 52.037 -0.425 0.000 0.681 342 A CB 1.103 19.691 19.000 -0.687 0.000 1.282 342 A HN 0.692 nan 8.150 nan 0.000 0.421 343 I N 0.467 120.754 120.570 -0.471 0.000 2.465 343 I HA 0.467 4.640 4.170 0.006 0.000 0.291 343 I C -1.639 174.222 176.117 -0.427 0.000 1.014 343 I CA -0.408 60.705 61.300 -0.311 0.000 1.093 343 I CB 1.794 39.690 38.000 -0.172 0.000 1.267 343 I HN 0.608 nan 8.210 nan 0.000 0.431 344 Y N 5.318 125.580 120.300 -0.064 0.000 2.331 344 Y HA 0.395 4.948 4.550 0.006 0.000 0.334 344 Y C -0.495 175.350 175.900 -0.091 0.000 0.960 344 Y CA -0.690 57.409 58.100 -0.001 0.000 1.130 344 Y CB 1.085 39.575 38.460 0.050 0.000 1.164 344 Y HN 0.332 nan 8.280 nan 0.000 0.458 345 F N 5.094 125.114 119.950 0.117 0.000 2.605 345 F HA 0.157 4.687 4.527 0.005 0.000 0.352 345 F C 0.407 176.294 175.800 0.145 0.000 1.236 345 F CA -0.636 57.407 58.000 0.072 0.000 1.267 345 F CB 0.259 39.238 39.000 -0.035 0.000 1.632 345 F HN 0.486 nan 8.300 nan 0.000 0.639 346 M N -0.152 119.599 119.600 0.252 0.000 2.596 346 M HA 0.441 4.925 4.480 0.006 0.000 0.364 346 M C -0.652 175.849 176.300 0.335 0.000 1.158 346 M CA 0.088 55.552 55.300 0.273 0.000 0.940 346 M CB -0.069 32.636 32.600 0.175 0.000 1.388 346 M HN 0.149 nan 8.290 nan 0.000 0.522 347 M N -0.189 119.543 119.600 0.219 0.000 2.761 347 M HA 0.601 5.085 4.480 0.006 0.000 0.305 347 M C -1.264 174.851 176.300 -0.308 0.000 1.235 347 M CA -0.596 54.717 55.300 0.022 0.000 0.850 347 M CB 2.171 34.764 32.600 -0.012 0.000 1.744 347 M HN 0.054 nan 8.290 nan 0.000 0.480 348 D N 0.000 119.989 120.400 -0.684 0.000 2.505 348 D HA 0.198 4.842 4.640 0.006 0.000 0.249 348 D C 0.341 176.448 176.300 -0.322 0.000 1.082 348 D CA -0.184 53.375 54.000 -0.734 0.000 0.839 348 D CB 1.754 41.713 40.800 -1.402 0.000 1.317 348 D HN 0.604 nan 8.370 nan 0.000 0.497 349 E N 3.293 123.398 120.200 -0.159 0.000 2.086 349 E HA -0.156 4.198 4.350 0.006 0.000 0.200 349 E C -1.158 175.404 176.600 -0.064 0.000 1.012 349 E CA 2.018 58.390 56.400 -0.047 0.000 0.812 349 E CB -0.647 29.064 29.700 0.020 0.000 0.743 349 E HN 0.417 nan 8.360 nan 0.000 0.453 350 P HA -0.133 nan 4.420 nan 0.000 0.216 350 P C 0.681 177.928 177.300 -0.088 0.000 1.153 350 P CA 1.843 64.900 63.100 -0.072 0.000 0.858 350 P CB -0.043 31.615 31.700 -0.069 0.000 0.789 351 D N -0.985 119.335 120.400 -0.133 0.000 2.117 351 D HA -0.089 4.555 4.640 0.006 0.000 0.198 351 D C 2.041 178.260 176.300 -0.136 0.000 0.982 351 D CA 1.046 54.966 54.000 -0.134 0.000 0.828 351 D CB -0.566 40.132 40.800 -0.170 0.000 0.967 351 D HN -0.022 nan 8.370 nan 0.000 0.464 352 V N 1.401 121.230 119.914 -0.141 0.000 2.295 352 V HA -0.262 3.862 4.120 0.006 0.000 0.246 352 V C 2.538 178.538 176.094 -0.157 0.000 1.049 352 V CA 1.619 63.831 62.300 -0.147 0.000 1.024 352 V CB -0.518 31.246 31.823 -0.097 0.000 0.648 352 V HN 0.202 nan 8.190 nan 0.000 0.447 353 Q N -0.493 119.231 119.800 -0.125 0.000 2.084 353 Q HA -0.240 4.103 4.340 0.006 0.000 0.202 353 Q C 2.481 178.423 176.000 -0.097 0.000 0.978 353 Q CA 1.741 57.453 55.803 -0.151 0.000 0.844 353 Q CB -0.266 28.428 28.738 -0.072 0.000 0.898 353 Q HN 0.554 nan 8.270 nan 0.000 0.426 354 R N 0.842 121.307 120.500 -0.058 0.000 2.073 354 R HA -0.143 4.201 4.340 0.006 0.000 0.234 354 R C 2.143 178.468 176.300 0.041 0.000 1.134 354 R CA 1.294 57.389 56.100 -0.008 0.000 0.952 354 R CB -0.189 30.098 30.300 -0.022 0.000 0.850 354 R HN 0.224 nan 8.270 nan 0.000 0.433 355 I N 0.749 121.317 120.570 -0.002 0.000 2.226 355 I HA -0.295 3.878 4.170 0.006 0.000 0.245 355 I C 2.183 178.368 176.117 0.114 0.000 1.100 355 I CA 1.125 62.455 61.300 0.051 0.000 1.374 355 I CB -0.185 37.793 38.000 -0.037 0.000 1.057 355 I HN 0.253 nan 8.210 nan 0.000 0.413 356 L N 0.444 121.683 121.223 0.027 0.000 2.056 356 L HA -0.169 4.175 4.340 0.006 0.000 0.207 356 L C 2.753 179.789 176.870 0.277 0.000 1.078 356 L CA 1.323 56.213 54.840 0.084 0.000 0.749 356 L CB -0.600 41.419 42.059 -0.066 0.000 0.901 356 L HN 0.225 nan 8.230 nan 0.000 0.433 357 A N -0.391 122.559 122.820 0.218 0.000 2.014 357 A HA -0.140 4.183 4.320 0.006 0.000 0.218 357 A C 0.986 178.738 177.584 0.280 0.000 1.163 357 A CA -0.074 52.133 52.037 0.283 0.000 0.652 357 A CB -0.559 18.497 19.000 0.094 0.000 0.808 357 A HN 0.266 nan 8.150 nan 0.000 0.449 358 F N 1.772 121.786 119.950 0.107 0.000 2.612 358 F HA 0.309 4.835 4.527 -0.001 0.000 0.389 358 F C 1.466 177.340 175.800 0.124 0.000 1.055 358 F CA -0.161 57.894 58.000 0.093 0.000 1.232 358 F CB 0.048 39.092 39.000 0.073 0.000 1.044 358 F HN 0.139 nan 8.300 nan 0.000 0.560 359 G N 6.048 114.595 108.800 -0.421 0.000 2.766 359 G HA2 -0.308 3.656 3.960 0.006 0.000 0.222 359 G HA3 -0.308 3.656 3.960 0.006 0.000 0.222 359 G C -0.845 173.981 174.900 -0.123 0.000 1.225 359 G CA 1.049 45.995 45.100 -0.258 0.000 0.784 359 G HN 0.635 nan 8.290 nan 0.000 0.631 360 P HA 0.098 nan 4.420 nan 0.000 0.228 360 P C 0.509 177.757 177.300 -0.087 0.000 1.151 360 P CA 0.661 63.662 63.100 -0.165 0.000 0.770 360 P CB -0.089 31.498 31.700 -0.188 0.000 0.786 361 T N 1.729 116.286 114.554 0.006 0.000 2.817 361 T HA 0.144 4.497 4.350 0.006 0.000 0.295 361 T C 0.584 175.258 174.700 -0.044 0.000 0.958 361 T CA 0.410 62.553 62.100 0.071 0.000 1.157 361 T CB -0.213 68.760 68.868 0.175 0.000 0.898 361 T HN -0.028 nan 8.240 nan 0.000 0.536 362 M N 3.299 122.870 119.600 -0.048 0.000 2.368 362 M HA 0.464 4.947 4.480 0.006 0.000 0.311 362 M C -0.078 176.217 176.300 -0.008 0.000 1.168 362 M CA -0.986 54.273 55.300 -0.068 0.000 1.044 362 M CB 0.730 33.325 32.600 -0.007 0.000 1.506 362 M HN 0.253 nan 8.290 nan 0.000 0.475 363 I N 1.231 121.809 120.570 0.014 0.000 2.331 363 I HA 0.527 4.701 4.170 0.006 0.000 0.292 363 I C 0.366 176.550 176.117 0.111 0.000 0.998 363 I CA -0.293 61.005 61.300 -0.004 0.000 1.267 363 I CB 0.462 38.407 38.000 -0.091 0.000 1.386 363 I HN 0.766 nan 8.210 nan 0.000 0.476 364 G N 2.844 111.679 108.800 0.059 0.000 2.687 364 G HA2 0.411 4.375 3.960 0.006 0.000 0.301 364 G HA3 0.411 4.375 3.960 0.006 0.000 0.301 364 G C 0.465 175.420 174.900 0.092 0.000 1.416 364 G CA -0.148 45.057 45.100 0.176 0.000 1.005 364 G HN 0.621 nan 8.290 nan 0.000 0.509 365 S N 1.428 117.180 115.700 0.088 0.000 2.395 365 S HA -0.041 4.433 4.470 0.006 0.000 0.225 365 S C 1.165 175.737 174.600 -0.046 0.000 1.027 365 S CA 1.294 59.483 58.200 -0.019 0.000 0.965 365 S CB -0.107 63.111 63.200 0.030 0.000 0.812 365 S HN 0.785 nan 8.310 nan 0.000 0.482 366 D N 1.349 121.814 120.400 0.108 0.000 2.837 366 D HA -0.102 4.541 4.640 0.006 0.000 0.230 366 D C 0.248 176.541 176.300 -0.011 0.000 1.152 366 D CA 0.994 55.096 54.000 0.170 0.000 0.736 366 D CB -1.650 39.156 40.800 0.011 0.000 1.084 366 D HN 0.695 nan 8.370 nan 0.000 0.429 367 G N 0.264 109.032 108.800 -0.054 0.000 2.441 367 G HA2 0.412 4.375 3.960 0.006 0.000 0.243 367 G HA3 0.412 4.375 3.960 0.006 0.000 0.243 367 G C 0.454 175.327 174.900 -0.046 0.000 1.281 367 G CA -0.438 44.588 45.100 -0.123 0.000 0.854 367 G HN 0.326 nan 8.290 nan 0.000 0.560 368 L N 4.757 125.947 121.223 -0.056 0.000 2.371 368 L HA 0.246 4.589 4.340 0.006 0.000 0.262 368 L C -1.221 175.581 176.870 -0.113 0.000 1.054 368 L CA -1.690 53.147 54.840 -0.005 0.000 0.924 368 L CB 2.084 44.181 42.059 0.063 0.000 1.295 368 L HN 0.473 nan 8.230 nan 0.000 0.441 369 P HA -0.167 nan 4.420 nan 0.000 0.222 369 P C 0.806 177.807 177.300 -0.498 0.000 1.147 369 P CA 1.439 64.154 63.100 -0.642 0.000 0.790 369 P CB 0.200 31.125 31.700 -1.291 0.000 0.780 370 H N -1.502 117.533 119.070 -0.058 0.000 2.551 370 H HA 0.122 4.682 4.556 0.006 0.000 0.266 370 H C 0.250 175.527 175.328 -0.085 0.000 0.964 370 H CA -0.189 55.846 56.048 -0.022 0.000 1.180 370 H CB -0.484 29.242 29.762 -0.060 0.000 1.408 370 H HN 0.102 nan 8.280 nan 0.000 0.563 371 D N 0.968 121.385 120.400 0.029 0.000 2.458 371 D HA -0.069 4.575 4.640 0.006 0.000 0.243 371 D C 1.512 177.884 176.300 0.121 0.000 1.146 371 D CA 0.234 54.294 54.000 0.102 0.000 0.877 371 D CB 0.959 41.881 40.800 0.203 0.000 1.176 371 D HN 0.309 nan 8.370 nan 0.000 0.461 372 E N 2.262 122.563 120.200 0.169 0.000 2.051 372 E HA -0.154 4.200 4.350 0.006 0.000 0.192 372 E C -0.000 176.679 176.600 0.132 0.000 0.991 372 E CA 1.345 57.834 56.400 0.148 0.000 0.799 372 E CB 0.361 30.172 29.700 0.185 0.000 0.748 372 E HN 0.143 nan 8.360 nan 0.000 0.449 373 R N 1.033 121.624 120.500 0.151 0.000 2.547 373 R HA 0.319 4.662 4.340 0.006 0.000 0.280 373 R C -2.454 173.919 176.300 0.121 0.000 1.630 373 R CA -2.141 54.026 56.100 0.111 0.000 1.470 373 R CB 0.925 31.281 30.300 0.094 0.000 1.178 373 R HN 0.270 nan 8.270 nan 0.000 0.591 374 P HA -0.010 nan 4.420 nan 0.000 0.272 374 P C -0.298 177.069 177.300 0.112 0.000 1.240 374 P CA -0.245 62.930 63.100 0.124 0.000 0.791 374 P CB 0.770 32.544 31.700 0.125 0.000 0.978 375 H N 3.023 122.079 119.070 -0.023 0.000 2.803 375 H HA 0.088 4.647 4.556 0.005 0.000 0.330 375 H C -1.345 173.836 175.328 -0.245 0.000 1.057 375 H CA -1.782 54.198 56.048 -0.114 0.000 1.458 375 H CB 0.651 30.301 29.762 -0.186 0.000 1.470 375 H HN 0.234 nan 8.280 nan 0.000 0.560 376 P HA -0.189 nan 4.420 nan 0.000 0.223 376 P C 1.131 178.347 177.300 -0.139 0.000 1.144 376 P CA 1.010 64.008 63.100 -0.169 0.000 0.783 376 P CB 0.048 31.517 31.700 -0.384 0.000 0.771 377 R N 0.036 120.298 120.500 -0.396 0.000 2.159 377 R HA -0.130 4.214 4.340 0.006 0.000 0.237 377 R C 2.157 178.353 176.300 -0.174 0.000 1.131 377 R CA 1.064 56.863 56.100 -0.501 0.000 0.982 377 R CB -1.713 28.024 30.300 -0.938 0.000 0.868 377 R HN 0.157 nan 8.270 nan 0.000 0.453 378 L N -0.021 121.124 121.223 -0.130 0.000 2.127 378 L HA -0.091 4.253 4.340 0.006 0.000 0.211 378 L C 1.073 177.818 176.870 -0.208 0.000 1.089 378 L CA 1.654 56.401 54.840 -0.155 0.000 0.757 378 L CB -0.281 41.715 42.059 -0.105 0.000 0.899 378 L HN 0.246 nan 8.230 nan 0.000 0.434 379 W N -2.124 119.128 121.300 -0.080 0.000 2.975 379 W HA 0.418 5.081 4.660 0.005 0.000 0.316 379 W C 1.910 178.437 176.519 0.014 0.000 1.131 379 W CA 0.329 57.649 57.345 -0.041 0.000 1.624 379 W CB 0.206 29.639 29.460 -0.046 0.000 1.038 379 W HN 0.126 nan 8.180 nan 0.000 0.571 380 G N -1.306 107.642 108.800 0.246 0.000 3.342 380 G HA2 0.015 3.979 3.960 0.006 0.000 0.252 380 G HA3 0.015 3.979 3.960 0.006 0.000 0.252 380 G C 1.199 176.218 174.900 0.199 0.000 1.011 380 G CA 0.526 45.765 45.100 0.232 0.000 0.869 380 G HN -0.071 nan 8.290 nan 0.000 0.514 381 T N 1.548 116.194 114.554 0.153 0.000 2.592 381 T HA -0.226 4.127 4.350 0.006 0.000 0.267 381 T C 1.929 176.457 174.700 -0.286 0.000 1.060 381 T CA 1.807 63.876 62.100 -0.051 0.000 1.167 381 T CB -0.378 68.286 68.868 -0.340 0.000 0.863 381 T HN 0.236 nan 8.240 nan 0.000 0.431 382 F N 1.011 120.965 119.950 0.007 0.000 2.146 382 F HA 0.071 4.602 4.527 0.006 0.000 0.298 382 F C -0.529 175.187 175.800 -0.139 0.000 1.096 382 F CA 0.537 58.455 58.000 -0.137 0.000 1.275 382 F CB -1.698 37.176 39.000 -0.209 0.000 1.008 382 F HN 0.228 nan 8.300 nan 0.000 0.480 383 P HA -0.108 nan 4.420 nan 0.000 0.221 383 P C 1.408 178.741 177.300 0.056 0.000 1.150 383 P CA 1.225 64.356 63.100 0.052 0.000 0.800 383 P CB -0.083 31.680 31.700 0.104 0.000 0.787 384 R N -0.166 120.369 120.500 0.058 0.000 2.092 384 R HA -0.080 4.263 4.340 0.006 0.000 0.231 384 R C 1.699 178.119 176.300 0.200 0.000 1.119 384 R CA 1.232 57.377 56.100 0.075 0.000 0.970 384 R CB -0.634 29.654 30.300 -0.019 0.000 0.864 384 R HN 0.021 nan 8.270 nan 0.000 0.440 385 V N 0.891 120.893 119.914 0.147 0.000 2.379 385 V HA -0.180 3.944 4.120 0.006 0.000 0.245 385 V C 2.203 178.434 176.094 0.229 0.000 1.044 385 V CA 1.392 63.837 62.300 0.242 0.000 1.036 385 V CB -0.234 31.614 31.823 0.041 0.000 0.664 385 V HN 0.319 nan 8.190 nan 0.000 0.453 386 L N -0.124 121.138 121.223 0.064 0.000 2.109 386 L HA 0.038 4.382 4.340 0.006 0.000 0.207 386 L C 2.345 179.288 176.870 0.121 0.000 1.086 386 L CA 1.584 56.449 54.840 0.042 0.000 0.760 386 L CB -0.879 41.081 42.059 -0.165 0.000 0.910 386 L HN 0.458 nan 8.230 nan 0.000 0.437 387 G N -1.460 107.407 108.800 0.112 0.000 2.695 387 G HA2 -0.195 3.769 3.960 0.006 0.000 0.219 387 G HA3 -0.195 3.769 3.960 0.006 0.000 0.219 387 G C 1.240 176.202 174.900 0.102 0.000 1.295 387 G CA 0.522 45.693 45.100 0.118 0.000 0.882 387 G HN 0.261 nan 8.290 nan 0.000 0.570 388 H N -0.231 118.815 119.070 -0.040 0.000 2.289 388 H HA -0.151 4.410 4.556 0.009 0.000 0.294 388 H C 2.272 177.463 175.328 -0.228 0.000 1.095 388 H CA 2.249 58.187 56.048 -0.184 0.000 1.256 388 H CB -0.383 29.171 29.762 -0.346 0.000 1.359 388 H HN 0.392 nan 8.280 nan 0.000 0.487 389 Y N -0.861 119.380 120.300 -0.098 0.000 2.206 389 Y HA -0.052 4.500 4.550 0.004 0.000 0.292 389 Y C 3.239 179.044 175.900 -0.158 0.000 1.123 389 Y CA 1.319 59.286 58.100 -0.221 0.000 1.142 389 Y CB -0.721 37.685 38.460 -0.090 0.000 1.006 389 Y HN 0.258 nan 8.280 nan 0.000 0.518 390 S N -0.157 115.702 115.700 0.264 0.000 2.329 390 S HA -0.149 4.324 4.470 0.006 0.000 0.215 390 S C 2.283 176.960 174.600 0.128 0.000 1.031 390 S CA 1.219 59.593 58.200 0.289 0.000 0.985 390 S CB -0.228 63.216 63.200 0.406 0.000 0.917 390 S HN 0.374 nan 8.310 nan 0.000 0.441 391 R N 0.403 120.972 120.500 0.115 0.000 2.061 391 R HA -0.076 4.268 4.340 0.006 0.000 0.230 391 R C 1.686 177.997 176.300 0.018 0.000 1.140 391 R CA 2.068 58.215 56.100 0.079 0.000 0.940 391 R CB -0.526 29.835 30.300 0.102 0.000 0.839 391 R HN 0.401 nan 8.270 nan 0.000 0.429 392 D N 0.332 120.718 120.400 -0.024 0.000 2.149 392 D HA -0.087 4.557 4.640 0.006 0.000 0.201 392 D C 1.892 178.115 176.300 -0.128 0.000 0.972 392 D CA 1.009 54.970 54.000 -0.065 0.000 0.835 392 D CB 0.069 40.836 40.800 -0.055 0.000 0.966 392 D HN 0.307 nan 8.370 nan 0.000 0.476 393 L N -0.488 120.604 121.223 -0.217 0.000 2.513 393 L HA 0.213 4.557 4.340 0.006 0.000 0.222 393 L C 1.210 177.998 176.870 -0.137 0.000 1.096 393 L CA 0.322 55.035 54.840 -0.213 0.000 0.857 393 L CB 0.040 41.901 42.059 -0.329 0.000 1.026 393 L HN 0.076 nan 8.230 nan 0.000 0.469 394 G N 1.090 109.828 108.800 -0.104 0.000 2.221 394 G HA2 -0.312 3.652 3.960 0.006 0.000 0.265 394 G HA3 -0.312 3.652 3.960 0.006 0.000 0.265 394 G C 0.727 175.542 174.900 -0.141 0.000 1.041 394 G CA 0.517 45.575 45.100 -0.070 0.000 0.807 394 G HN 0.271 nan 8.290 nan 0.000 0.502 395 L N -0.814 120.221 121.223 -0.314 0.000 2.141 395 L HA 0.393 4.736 4.340 0.006 0.000 0.209 395 L C 0.874 177.380 176.870 -0.607 0.000 1.094 395 L CA 2.031 56.516 54.840 -0.591 0.000 0.763 395 L CB -0.243 41.211 42.059 -1.009 0.000 0.908 395 L HN 0.654 nan 8.230 nan 0.000 0.437 396 F N -3.595 116.381 119.950 0.042 0.000 2.703 396 F HA 0.575 5.106 4.527 0.007 0.000 0.308 396 F C -2.798 173.031 175.800 0.048 0.000 1.126 396 F CA -3.249 54.775 58.000 0.041 0.000 0.959 396 F CB -0.510 38.520 39.000 0.050 0.000 1.297 396 F HN -0.345 nan 8.300 nan 0.000 0.441 397 P HA 0.073 nan 4.420 nan 0.000 0.272 397 P C 0.845 178.269 177.300 0.207 0.000 1.230 397 P CA -0.269 62.947 63.100 0.193 0.000 0.788 397 P CB 1.384 33.153 31.700 0.115 0.000 0.949 398 L N 2.094 123.426 121.223 0.181 0.000 2.043 398 L HA -0.223 4.120 4.340 0.006 0.000 0.212 398 L C 2.375 179.339 176.870 0.157 0.000 1.075 398 L CA 2.066 57.019 54.840 0.189 0.000 0.752 398 L CB -1.252 40.934 42.059 0.211 0.000 0.891 398 L HN 0.485 nan 8.230 nan 0.000 0.432 399 E N -2.116 118.160 120.200 0.126 0.000 2.204 399 E HA -0.186 4.167 4.350 0.006 0.000 0.194 399 E C 1.780 178.446 176.600 0.110 0.000 0.989 399 E CA 1.739 58.207 56.400 0.114 0.000 0.824 399 E CB -0.937 28.803 29.700 0.066 0.000 0.756 399 E HN 0.485 nan 8.360 nan 0.000 0.477 400 T N 1.225 115.821 114.554 0.070 0.000 2.896 400 T HA 0.127 4.481 4.350 0.006 0.000 0.263 400 T C 2.004 176.685 174.700 -0.032 0.000 1.050 400 T CA 1.320 63.458 62.100 0.063 0.000 1.140 400 T CB -0.172 68.718 68.868 0.036 0.000 0.877 400 T HN 0.402 nan 8.240 nan 0.000 0.457 401 A N 1.038 123.736 122.820 -0.203 0.000 1.933 401 A HA -0.037 4.286 4.320 0.006 0.000 0.218 401 A C 2.526 180.013 177.584 -0.162 0.000 1.175 401 A CA 1.226 53.007 52.037 -0.427 0.000 0.628 401 A CB -0.958 17.893 19.000 -0.247 0.000 0.814 401 A HN 0.348 nan 8.150 nan 0.000 0.444 402 V N -2.047 117.875 119.914 0.014 0.000 2.358 402 V HA -0.237 3.887 4.120 0.006 0.000 0.246 402 V C 2.174 178.352 176.094 0.138 0.000 1.047 402 V CA 1.783 64.139 62.300 0.092 0.000 1.035 402 V CB -0.930 31.039 31.823 0.243 0.000 0.658 402 V HN 0.887 nan 8.190 nan 0.000 0.452 403 W N 1.609 122.895 121.300 -0.023 0.000 2.338 403 W HA -0.222 4.441 4.660 0.006 0.000 0.304 403 W C 2.279 178.780 176.519 -0.029 0.000 1.212 403 W CA 1.807 59.144 57.345 -0.013 0.000 1.264 403 W CB -0.192 29.249 29.460 -0.032 0.000 1.142 403 W HN 0.100 nan 8.180 nan 0.000 0.512 404 K N -0.147 120.175 120.400 -0.131 0.000 2.442 404 K HA -0.135 4.189 4.320 0.006 0.000 0.198 404 K C 1.639 178.103 176.600 -0.226 0.000 1.044 404 K CA 1.533 57.613 56.287 -0.344 0.000 0.948 404 K CB -0.380 31.966 32.500 -0.257 0.000 0.762 404 K HN 0.440 nan 8.250 nan 0.000 0.472 405 M N -2.535 116.992 119.600 -0.122 0.000 2.347 405 M HA 0.186 4.670 4.480 0.006 0.000 0.324 405 M C 0.669 176.992 176.300 0.038 0.000 1.028 405 M CA -0.129 55.168 55.300 -0.005 0.000 0.988 405 M CB 0.779 33.381 32.600 0.003 0.000 1.528 405 M HN -0.076 nan 8.290 nan 0.000 0.550 406 T N -3.336 111.218 114.554 -0.000 0.000 3.359 406 T HA 0.383 4.737 4.350 0.006 0.000 0.160 406 T C 1.711 176.418 174.700 0.012 0.000 0.924 406 T CA 0.676 62.817 62.100 0.069 0.000 0.951 406 T CB -0.776 68.195 68.868 0.172 0.000 1.404 406 T HN 0.181 nan 8.240 nan 0.000 0.309 407 G N 1.607 110.423 108.800 0.027 0.000 2.440 407 G HA2 -0.074 3.889 3.960 0.006 0.000 0.218 407 G HA3 -0.074 3.889 3.960 0.006 0.000 0.218 407 G C 1.531 176.362 174.900 -0.114 0.000 1.154 407 G CA 1.298 46.434 45.100 0.060 0.000 0.767 407 G HN 0.487 nan 8.290 nan 0.000 0.552 408 L N 1.006 121.876 121.223 -0.587 0.000 1.994 408 L HA -0.009 4.335 4.340 0.006 0.000 0.208 408 L C 2.878 179.579 176.870 -0.282 0.000 1.071 408 L CA 2.851 57.282 54.840 -0.683 0.000 0.745 408 L CB -1.163 40.010 42.059 -1.476 0.000 0.892 408 L HN 0.187 nan 8.230 nan 0.000 0.431 409 T N 0.257 114.696 114.554 -0.192 0.000 2.720 409 T HA -0.168 4.186 4.350 0.006 0.000 0.268 409 T C 1.944 176.739 174.700 0.158 0.000 1.037 409 T CA 1.459 63.588 62.100 0.048 0.000 1.144 409 T CB -0.752 68.169 68.868 0.090 0.000 0.864 409 T HN 0.540 nan 8.240 nan 0.000 0.444 410 A N 1.533 124.409 122.820 0.092 0.000 1.908 410 A HA 0.106 4.429 4.320 0.006 0.000 0.218 410 A C 2.657 180.309 177.584 0.114 0.000 1.181 410 A CA 1.941 54.052 52.037 0.123 0.000 0.627 410 A CB -1.134 17.939 19.000 0.122 0.000 0.818 410 A HN 0.531 nan 8.150 nan 0.000 0.445 411 A N -0.463 122.399 122.820 0.070 0.000 1.873 411 A HA -0.100 4.223 4.320 0.006 0.000 0.215 411 A C 2.057 179.644 177.584 0.005 0.000 1.186 411 A CA 1.726 53.795 52.037 0.052 0.000 0.616 411 A CB -0.331 18.703 19.000 0.055 0.000 0.823 411 A HN 0.326 nan 8.150 nan 0.000 0.442 412 K N -0.699 119.663 120.400 -0.062 0.000 2.097 412 K HA -0.046 4.278 4.320 0.006 0.000 0.206 412 K C 1.128 177.556 176.600 -0.286 0.000 1.049 412 K CA 1.102 57.262 56.287 -0.210 0.000 0.933 412 K CB -0.566 31.723 32.500 -0.352 0.000 0.717 412 K HN 0.563 nan 8.250 nan 0.000 0.442 413 F N 0.191 120.139 119.950 -0.002 0.000 2.765 413 F HA 0.212 4.742 4.527 0.006 0.000 0.302 413 F C 1.144 176.949 175.800 0.009 0.000 1.111 413 F CA 0.283 58.285 58.000 0.003 0.000 1.359 413 F CB -0.038 38.959 39.000 -0.006 0.000 1.097 413 F HN 0.165 nan 8.300 nan 0.000 0.577 414 G N 1.552 110.433 108.800 0.135 0.000 2.295 414 G HA2 -0.302 3.662 3.960 0.006 0.000 0.287 414 G HA3 -0.302 3.662 3.960 0.006 0.000 0.287 414 G C 0.003 174.959 174.900 0.094 0.000 1.055 414 G CA -0.230 44.927 45.100 0.095 0.000 0.922 414 G HN 0.332 nan 8.290 nan 0.000 0.503 415 L N 0.647 121.933 121.223 0.104 0.000 2.328 415 L HA 0.560 4.904 4.340 0.006 0.000 0.280 415 L C 1.240 178.141 176.870 0.051 0.000 1.111 415 L CA -0.239 54.642 54.840 0.069 0.000 0.909 415 L CB 0.533 42.630 42.059 0.064 0.000 1.277 415 L HN 0.412 nan 8.230 nan 0.000 0.433 416 A N 2.802 125.639 122.820 0.029 0.000 2.511 416 A HA 0.150 4.474 4.320 0.006 0.000 0.242 416 A C 1.003 178.535 177.584 -0.087 0.000 1.069 416 A CA 0.086 52.109 52.037 -0.025 0.000 0.763 416 A CB -0.095 18.893 19.000 -0.020 0.000 1.001 416 A HN 0.914 nan 8.150 nan 0.000 0.498 417 E N -0.476 119.496 120.200 -0.380 0.000 2.971 417 E HA -0.218 4.135 4.350 0.006 0.000 0.278 417 E C -0.038 176.411 176.600 -0.251 0.000 1.009 417 E CA 1.262 57.143 56.400 -0.865 0.000 0.862 417 E CB -1.227 28.136 29.700 -0.562 0.000 1.436 417 E HN 0.763 nan 8.360 nan 0.000 0.434 418 R N -1.415 119.116 120.500 0.053 0.000 2.888 418 R HA 0.557 4.901 4.340 0.006 0.000 0.264 418 R C 0.909 177.379 176.300 0.283 0.000 1.045 418 R CA -0.241 55.997 56.100 0.229 0.000 0.962 418 R CB 1.661 32.040 30.300 0.131 0.000 1.210 418 R HN 0.131 nan 8.270 nan 0.000 0.479 419 G N 0.367 109.305 108.800 0.229 0.000 2.176 419 G HA2 -0.272 3.691 3.960 0.006 0.000 0.253 419 G HA3 -0.272 3.691 3.960 0.006 0.000 0.253 419 G C -0.207 174.806 174.900 0.187 0.000 0.979 419 G CA 0.042 45.255 45.100 0.189 0.000 0.641 419 G HN 0.435 nan 8.290 nan 0.000 0.530 420 Q N -0.932 118.987 119.800 0.198 0.000 2.379 420 Q HA 0.559 4.903 4.340 0.006 0.000 0.278 420 Q C -0.675 175.298 176.000 -0.046 0.000 1.068 420 Q CA -0.957 54.862 55.803 0.026 0.000 0.816 420 Q CB 3.030 31.665 28.738 -0.173 0.000 1.387 420 Q HN 0.167 nan 8.270 nan 0.000 0.413 421 V N 3.276 123.155 119.914 -0.058 0.000 2.267 421 V HA 0.171 4.295 4.120 0.006 0.000 0.254 421 V C -0.412 175.584 176.094 -0.162 0.000 1.144 421 V CA -0.039 62.221 62.300 -0.067 0.000 0.992 421 V CB -0.018 31.790 31.823 -0.026 0.000 1.199 421 V HN 0.557 nan 8.190 nan 0.000 0.493 422 Q N 4.556 124.202 119.800 -0.256 0.000 2.372 422 Q HA 0.456 4.799 4.340 0.006 0.000 0.273 422 Q C -2.831 173.076 176.000 -0.155 0.000 1.078 422 Q CA -2.319 53.293 55.803 -0.318 0.000 0.806 422 Q CB 2.719 31.008 28.738 -0.747 0.000 1.332 422 Q HN 0.263 nan 8.270 nan 0.000 0.435 423 P HA 0.085 nan 4.420 nan 0.000 0.265 423 P C 0.743 178.050 177.300 0.012 0.000 1.193 423 P CA 1.158 64.219 63.100 -0.066 0.000 0.765 423 P CB 0.476 32.140 31.700 -0.061 0.000 0.823 424 G N 1.070 109.869 108.800 -0.002 0.000 2.284 424 G HA2 -0.257 3.707 3.960 0.006 0.000 0.230 424 G HA3 -0.257 3.707 3.960 0.006 0.000 0.230 424 G C -0.028 174.877 174.900 0.008 0.000 1.021 424 G CA -0.413 44.692 45.100 0.008 0.000 0.619 424 G HN 0.390 nan 8.290 nan 0.000 0.510 425 Y N 0.406 120.615 120.300 -0.151 0.000 2.281 425 Y HA 0.599 5.153 4.550 0.006 0.000 0.337 425 Y C 1.100 176.899 175.900 -0.169 0.000 1.304 425 Y CA -1.091 56.923 58.100 -0.143 0.000 1.465 425 Y CB 0.041 38.480 38.460 -0.035 0.000 1.350 425 Y HN 0.197 nan 8.280 nan 0.000 0.575 426 Y N -0.276 120.069 120.300 0.075 0.000 2.397 426 Y HA 0.324 4.877 4.550 0.006 0.000 0.335 426 Y C 0.573 176.509 175.900 0.060 0.000 1.213 426 Y CA -0.468 57.654 58.100 0.038 0.000 1.391 426 Y CB 0.494 38.961 38.460 0.011 0.000 1.293 426 Y HN 0.590 nan 8.280 nan 0.000 0.557 427 A N 3.008 125.954 122.820 0.210 0.000 3.077 427 A HA 0.159 4.482 4.320 0.006 0.000 0.255 427 A C -0.732 176.947 177.584 0.158 0.000 1.728 427 A CA -0.478 51.634 52.037 0.126 0.000 1.383 427 A CB -1.126 17.910 19.000 0.059 0.000 1.097 427 A HN 0.583 nan 8.150 nan 0.000 0.634 428 D N 1.176 121.666 120.400 0.150 0.000 2.359 428 D HA 0.598 5.242 4.640 0.006 0.000 0.230 428 D C -0.292 176.069 176.300 0.101 0.000 1.118 428 D CA 0.462 54.531 54.000 0.116 0.000 0.844 428 D CB 1.163 42.008 40.800 0.075 0.000 1.059 428 D HN 0.378 nan 8.370 nan 0.000 0.493 429 L N 1.062 122.366 121.223 0.135 0.000 2.415 429 L HA 0.631 4.974 4.340 0.006 0.000 0.256 429 L C -0.737 176.215 176.870 0.135 0.000 1.010 429 L CA -1.131 53.779 54.840 0.118 0.000 0.826 429 L CB 2.373 44.496 42.059 0.107 0.000 1.405 429 L HN -0.055 nan 8.230 nan 0.000 0.410 430 V N 1.428 121.383 119.914 0.067 0.000 2.735 430 V HA 0.539 4.663 4.120 0.006 0.000 0.310 430 V C -0.676 175.555 176.094 0.228 0.000 1.061 430 V CA -0.710 61.634 62.300 0.073 0.000 0.913 430 V CB 2.524 34.191 31.823 -0.260 0.000 1.005 430 V HN 0.405 nan 8.190 nan 0.000 0.428 431 V N 5.518 125.614 119.914 0.303 0.000 2.378 431 V HA 0.623 4.747 4.120 0.006 0.000 0.288 431 V C -0.621 175.683 176.094 0.350 0.000 1.016 431 V CA -0.406 62.043 62.300 0.248 0.000 0.840 431 V CB 0.926 32.906 31.823 0.261 0.000 0.994 431 V HN 0.784 nan 8.190 nan 0.000 0.431 432 F N 1.446 121.497 119.950 0.168 0.000 2.613 432 F HA 0.733 5.263 4.527 0.005 0.000 0.314 432 F C -0.639 175.252 175.800 0.152 0.000 1.075 432 F CA -1.278 56.838 58.000 0.194 0.000 0.945 432 F CB 1.577 40.717 39.000 0.233 0.000 1.310 432 F HN 0.357 nan 8.300 nan 0.000 0.467 433 D N 3.929 124.526 120.400 0.329 0.000 2.347 433 D HA 0.274 4.917 4.640 0.006 0.000 0.235 433 D C -1.649 174.846 176.300 0.325 0.000 1.149 433 D CA -2.497 51.617 54.000 0.190 0.000 0.850 433 D CB 1.771 42.680 40.800 0.182 0.000 1.061 433 D HN 0.347 nan 8.370 nan 0.000 0.487 434 P HA -0.141 nan 4.420 nan 0.000 0.219 434 P C 0.948 178.393 177.300 0.242 0.000 1.146 434 P CA 0.733 64.034 63.100 0.335 0.000 0.808 434 P CB 0.360 32.164 31.700 0.173 0.000 0.779 435 A N 0.138 123.057 122.820 0.166 0.000 1.970 435 A HA -0.046 4.277 4.320 0.006 0.000 0.216 435 A C 2.091 179.755 177.584 0.134 0.000 1.170 435 A CA 2.064 54.178 52.037 0.128 0.000 0.645 435 A CB -1.354 17.701 19.000 0.092 0.000 0.816 435 A HN 0.389 nan 8.150 nan 0.000 0.447 436 T N -3.985 110.665 114.554 0.160 0.000 3.010 436 T HA 0.284 4.638 4.350 0.006 0.000 0.257 436 T C 0.471 175.275 174.700 0.172 0.000 1.020 436 T CA 0.351 62.540 62.100 0.149 0.000 0.938 436 T CB -0.579 68.372 68.868 0.138 0.000 1.049 436 T HN 0.242 nan 8.240 nan 0.000 0.522 437 V N 2.459 122.507 119.914 0.224 0.000 2.557 437 V HA 0.547 4.670 4.120 0.006 0.000 0.301 437 V C 0.013 176.192 176.094 0.142 0.000 1.026 437 V CA 0.507 62.930 62.300 0.206 0.000 1.137 437 V CB -0.386 31.568 31.823 0.219 0.000 0.917 437 V HN 0.855 nan 8.190 nan 0.000 0.484 438 A N 5.429 128.324 122.820 0.125 0.000 2.605 438 A HA 0.588 4.911 4.320 0.006 0.000 0.294 438 A C -0.937 176.704 177.584 0.095 0.000 1.062 438 A CA -0.466 51.630 52.037 0.099 0.000 0.682 438 A CB 1.279 20.331 19.000 0.088 0.000 1.278 438 A HN 0.936 nan 8.150 nan 0.000 0.410 439 D N 1.406 121.852 120.400 0.076 0.000 2.312 439 D HA 0.296 4.940 4.640 0.006 0.000 0.252 439 D C 0.318 176.658 176.300 0.067 0.000 1.150 439 D CA 0.070 54.122 54.000 0.087 0.000 0.870 439 D CB 1.506 42.353 40.800 0.079 0.000 1.153 439 D HN 0.168 nan 8.370 nan 0.000 0.457 440 S N 1.031 116.779 115.700 0.081 0.000 2.492 440 S HA 0.196 4.669 4.470 0.006 0.000 0.218 440 S C 1.032 175.656 174.600 0.039 0.000 1.016 440 S CA -0.198 58.035 58.200 0.055 0.000 0.916 440 S CB 0.258 63.490 63.200 0.053 0.000 0.791 440 S HN 0.784 nan 8.310 nan 0.000 0.513 441 A N 2.757 125.608 122.820 0.051 0.000 2.488 441 A HA 0.489 4.813 4.320 0.006 0.000 0.249 441 A C 0.709 178.284 177.584 -0.015 0.000 1.083 441 A CA -0.041 52.004 52.037 0.014 0.000 0.768 441 A CB -0.047 18.987 19.000 0.056 0.000 1.017 441 A HN 0.379 nan 8.150 nan 0.000 0.496 442 T N -1.202 113.325 114.554 -0.045 0.000 2.888 442 T HA 0.596 4.950 4.350 0.006 0.000 0.288 442 T C 0.469 175.070 174.700 -0.165 0.000 1.063 442 T CA -0.442 61.606 62.100 -0.087 0.000 1.010 442 T CB 0.514 69.385 68.868 0.005 0.000 1.214 442 T HN 0.240 nan 8.240 nan 0.000 0.533 443 F N 0.449 120.395 119.950 -0.006 0.000 2.216 443 F HA 0.068 4.598 4.527 0.005 0.000 0.300 443 F C 2.640 178.391 175.800 -0.081 0.000 1.085 443 F CA 1.639 59.612 58.000 -0.044 0.000 1.326 443 F CB -0.292 38.725 39.000 0.029 0.000 1.027 443 F HN 0.843 nan 8.300 nan 0.000 0.497 444 E N -0.479 119.728 120.200 0.011 0.000 2.107 444 E HA -0.160 4.194 4.350 0.006 0.000 0.191 444 E C -0.075 176.308 176.600 -0.363 0.000 0.982 444 E CA 1.039 57.305 56.400 -0.223 0.000 0.809 444 E CB -0.067 29.410 29.700 -0.371 0.000 0.756 444 E HN 0.490 nan 8.360 nan 0.000 0.459 445 H N 0.003 119.064 119.070 -0.014 0.000 2.569 445 H HA 0.186 4.745 4.556 0.006 0.000 0.247 445 H C -2.049 173.212 175.328 -0.111 0.000 1.346 445 H CA -1.773 54.237 56.048 -0.064 0.000 1.502 445 H CB 1.539 31.263 29.762 -0.064 0.000 1.512 445 H HN 0.166 nan 8.280 nan 0.000 0.502 446 P HA -0.076 nan 4.420 nan 0.000 0.245 446 P C 0.972 178.130 177.300 -0.238 0.000 1.212 446 P CA 0.761 63.804 63.100 -0.095 0.000 0.774 446 P CB 0.307 31.981 31.700 -0.043 0.000 0.999 447 T N -4.502 109.777 114.554 -0.458 0.000 3.182 447 T HA 0.178 4.532 4.350 0.006 0.000 0.277 447 T C 0.387 174.406 174.700 -1.135 0.000 1.013 447 T CA -0.371 60.984 62.100 -1.241 0.000 0.900 447 T CB -0.254 68.044 68.868 -0.950 0.000 1.098 447 T HN -0.171 nan 8.240 nan 0.000 0.543 448 E N 2.313 122.213 120.200 -0.500 0.000 2.360 448 E HA 0.299 4.653 4.350 0.006 0.000 0.269 448 E C -0.014 176.499 176.600 -0.144 0.000 1.022 448 E CA -0.244 55.988 56.400 -0.280 0.000 0.887 448 E CB 0.629 30.264 29.700 -0.110 0.000 0.990 448 E HN 0.252 nan 8.360 nan 0.000 0.426 449 R N 0.969 121.446 120.500 -0.039 0.000 2.537 449 R HA 0.237 4.581 4.340 0.006 0.000 0.280 449 R C 0.145 176.547 176.300 0.171 0.000 1.058 449 R CA -0.069 56.138 56.100 0.179 0.000 1.057 449 R CB 0.291 30.748 30.300 0.261 0.000 0.973 449 R HN 0.572 nan 8.270 nan 0.000 0.438 450 A N 2.123 125.062 122.820 0.198 0.000 2.466 450 A HA 0.478 4.802 4.320 0.006 0.000 0.238 450 A C 0.063 177.752 177.584 0.175 0.000 1.074 450 A CA 0.194 52.331 52.037 0.166 0.000 0.774 450 A CB 0.109 19.205 19.000 0.159 0.000 1.015 450 A HN 0.773 nan 8.150 nan 0.000 0.498 451 A N 0.017 122.929 122.820 0.154 0.000 2.279 451 A HA 0.629 4.952 4.320 0.006 0.000 0.303 451 A C 1.348 179.047 177.584 0.192 0.000 1.108 451 A CA 0.246 52.380 52.037 0.162 0.000 0.830 451 A CB 0.077 19.154 19.000 0.128 0.000 1.106 451 A HN 2.751 nan 8.150 nan 0.000 0.493 452 G N -0.328 108.600 108.800 0.213 0.000 2.148 452 G HA2 -0.169 3.794 3.960 0.006 0.000 0.254 452 G HA3 -0.169 3.794 3.960 0.006 0.000 0.254 452 G C -0.020 175.081 174.900 0.335 0.000 0.981 452 G CA 0.345 45.602 45.100 0.261 0.000 0.670 452 G HN 0.660 nan 8.290 nan 0.000 0.528 453 I N 1.652 122.417 120.570 0.324 0.000 2.307 453 I HA 0.238 4.412 4.170 0.006 0.000 0.287 453 I C 1.447 177.808 176.117 0.406 0.000 1.054 453 I CA -0.563 60.954 61.300 0.362 0.000 1.218 453 I CB 0.594 38.752 38.000 0.262 0.000 1.398 453 I HN 0.251 nan 8.210 nan 0.000 0.475 454 H N 5.910 125.153 119.070 0.289 0.000 2.307 454 H HA 0.001 4.560 4.556 0.006 0.000 0.303 454 H C 0.201 175.652 175.328 0.205 0.000 1.073 454 H CA 1.266 57.443 56.048 0.214 0.000 1.338 454 H CB 0.947 30.811 29.762 0.169 0.000 1.389 454 H HN 0.618 nan 8.280 nan 0.000 0.503 455 S N -0.606 115.298 115.700 0.340 0.000 2.567 455 S HA 0.548 5.021 4.470 0.006 0.000 0.270 455 S C -1.394 173.317 174.600 0.185 0.000 1.152 455 S CA -0.863 57.447 58.200 0.182 0.000 0.835 455 S CB 2.502 65.751 63.200 0.081 0.000 1.115 455 S HN 0.026 nan 8.310 nan 0.000 0.459 456 V N 1.731 121.642 119.914 -0.004 0.000 2.760 456 V HA 0.614 4.738 4.120 0.006 0.000 0.309 456 V C -1.859 174.112 176.094 -0.206 0.000 1.077 456 V CA -0.614 61.685 62.300 -0.000 0.000 0.910 456 V CB 1.579 33.402 31.823 -0.000 0.000 1.008 456 V HN 0.936 nan 8.190 nan 0.000 0.424 457 Y N 2.237 122.571 120.300 0.058 0.000 2.425 457 Y HA 0.756 5.309 4.550 0.006 0.000 0.344 457 Y C -0.207 175.724 175.900 0.053 0.000 0.969 457 Y CA -1.072 57.071 58.100 0.072 0.000 1.052 457 Y CB 2.280 40.811 38.460 0.118 0.000 1.215 457 Y HN 0.343 nan 8.280 nan 0.000 0.451 458 V N 2.875 122.899 119.914 0.183 0.000 2.444 458 V HA 0.258 4.381 4.120 0.006 0.000 0.294 458 V C -0.401 175.765 176.094 0.120 0.000 1.022 458 V CA -1.572 60.792 62.300 0.107 0.000 0.850 458 V CB 1.270 33.122 31.823 0.048 0.000 0.992 458 V HN 0.954 nan 8.190 nan 0.000 0.426 459 N N 4.039 122.804 118.700 0.107 0.000 2.716 459 N HA -0.240 4.503 4.740 0.006 0.000 0.250 459 N C 1.162 176.775 175.510 0.171 0.000 1.033 459 N CA 0.914 54.039 53.050 0.125 0.000 0.727 459 N CB -0.782 37.732 38.487 0.046 0.000 0.950 459 N HN 1.413 nan 8.380 nan 0.000 0.541 460 G N -2.041 106.891 108.800 0.219 0.000 2.267 460 G HA2 -0.250 3.714 3.960 0.006 0.000 0.257 460 G HA3 -0.250 3.714 3.960 0.006 0.000 0.257 460 G C 0.240 175.377 174.900 0.396 0.000 0.998 460 G CA 0.420 45.690 45.100 0.284 0.000 0.620 460 G HN 1.039 nan 8.290 nan 0.000 0.529 461 A N 0.323 123.310 122.820 0.278 0.000 2.301 461 A HA 0.896 5.219 4.320 0.006 0.000 0.312 461 A C 0.635 178.307 177.584 0.146 0.000 1.182 461 A CA 0.827 52.988 52.037 0.207 0.000 0.826 461 A CB 1.013 20.077 19.000 0.106 0.000 1.134 461 A HN 2.043 nan 8.150 nan 0.000 0.501 462 A N 1.700 124.513 122.820 -0.012 0.000 2.451 462 A HA 0.438 4.762 4.320 0.006 0.000 0.266 462 A C 1.024 178.495 177.584 -0.188 0.000 1.119 462 A CA 0.294 52.098 52.037 -0.387 0.000 0.786 462 A CB -0.178 18.519 19.000 -0.505 0.000 1.061 462 A HN 1.935 nan 8.150 nan 0.000 0.503 463 V N -0.073 119.780 119.914 -0.102 0.000 3.523 463 V HA 0.318 4.442 4.120 0.006 0.000 0.255 463 V C 0.416 176.662 176.094 0.254 0.000 1.226 463 V CA -0.108 62.256 62.300 0.108 0.000 1.092 463 V CB -0.318 31.622 31.823 0.196 0.000 0.817 463 V HN 0.855 nan 8.190 nan 0.000 0.458 464 W N 1.378 122.601 121.300 -0.129 0.000 2.715 464 W HA 0.698 5.362 4.660 0.007 0.000 0.331 464 W C -1.493 174.911 176.519 -0.193 0.000 1.031 464 W CA -0.376 56.913 57.345 -0.093 0.000 1.237 464 W CB 1.957 31.387 29.460 -0.051 0.000 1.378 464 W HN 0.211 nan 8.180 nan 0.000 0.454 465 E N 3.902 123.778 120.200 -0.541 0.000 2.372 465 E HA 0.077 4.430 4.350 0.006 0.000 0.279 465 E C -0.841 175.393 176.600 -0.610 0.000 0.946 465 E CA -0.692 55.402 56.400 -0.511 0.000 0.769 465 E CB 1.955 31.439 29.700 -0.359 0.000 1.230 465 E HN 0.366 nan 8.360 nan 0.000 0.442 466 D N 2.874 122.979 120.400 -0.491 0.000 2.686 466 D HA -0.179 4.465 4.640 0.006 0.000 0.235 466 D C -0.424 175.586 176.300 -0.483 0.000 1.160 466 D CA 0.949 54.718 54.000 -0.384 0.000 0.645 466 D CB -0.558 40.072 40.800 -0.283 0.000 1.039 466 D HN 0.527 nan 8.370 nan 0.000 0.423 467 Q N -2.085 117.315 119.800 -0.665 0.000 2.434 467 Q HA -0.244 4.100 4.340 0.006 0.000 0.299 467 Q C -0.281 175.050 176.000 -1.115 0.000 1.286 467 Q CA 1.620 56.982 55.803 -0.735 0.000 0.872 467 Q CB -1.661 26.992 28.738 -0.142 0.000 1.193 467 Q HN 0.571 nan 8.270 nan 0.000 0.466 468 S N -0.782 113.944 115.700 -1.623 0.000 2.537 468 S HA 0.601 5.075 4.470 0.006 0.000 0.271 468 S C -1.266 173.032 174.600 -0.504 0.000 1.148 468 S CA -0.880 56.802 58.200 -0.863 0.000 0.868 468 S CB 0.978 63.938 63.200 -0.399 0.000 1.115 468 S HN 0.247 nan 8.310 nan 0.000 0.461 469 F N 3.928 123.831 119.950 -0.079 0.000 2.538 469 F HA 0.315 4.846 4.527 0.006 0.000 0.371 469 F C 1.780 177.534 175.800 -0.077 0.000 1.087 469 F CA 0.425 58.475 58.000 0.083 0.000 1.250 469 F CB 0.913 39.999 39.000 0.143 0.000 1.110 469 F HN 0.735 nan 8.300 nan 0.000 0.570 470 T N 1.754 115.984 114.554 -0.541 0.000 2.995 470 T HA 0.206 4.560 4.350 0.006 0.000 0.269 470 T C 1.526 175.693 174.700 -0.890 0.000 1.091 470 T CA 0.751 62.489 62.100 -0.604 0.000 1.128 470 T CB -0.534 68.098 68.868 -0.394 0.000 0.891 470 T HN 1.560 nan 8.240 nan 0.000 0.492 471 G N 0.480 108.143 108.800 -1.895 0.000 2.179 471 G HA2 -0.184 3.779 3.960 0.006 0.000 0.220 471 G HA3 -0.184 3.779 3.960 0.006 0.000 0.220 471 G C -0.057 174.330 174.900 -0.855 0.000 0.990 471 G CA -0.274 44.020 45.100 -1.343 0.000 0.646 471 G HN 0.575 nan 8.290 nan 0.000 0.517 472 Q N 0.981 120.392 119.800 -0.648 0.000 2.323 472 Q HA 0.320 4.663 4.340 0.006 0.000 0.257 472 Q C -0.429 175.543 176.000 -0.046 0.000 1.022 472 Q CA 0.055 55.726 55.803 -0.221 0.000 0.919 472 Q CB 0.246 28.921 28.738 -0.106 0.000 1.220 472 Q HN 0.666 nan 8.270 nan 0.000 0.427 473 H N 0.845 120.013 119.070 0.162 0.000 2.820 473 H HA 0.262 4.821 4.556 0.006 0.000 0.248 473 H C 0.732 176.105 175.328 0.074 0.000 1.714 473 H CA -0.102 56.038 56.048 0.154 0.000 1.334 473 H CB 0.484 30.309 29.762 0.106 0.000 1.693 473 H HN 0.706 nan 8.280 nan 0.000 0.548 474 A N 2.290 125.189 122.820 0.132 0.000 2.238 474 A HA 0.222 4.545 4.320 0.006 0.000 0.210 474 A C 1.680 179.285 177.584 0.035 0.000 1.179 474 A CA 0.263 52.346 52.037 0.077 0.000 0.827 474 A CB 0.042 19.086 19.000 0.074 0.000 0.856 474 A HN 0.625 nan 8.150 nan 0.000 0.488 475 G N -0.104 108.711 108.800 0.024 0.000 2.594 475 G HA2 0.468 4.431 3.960 0.006 0.000 0.243 475 G HA3 0.468 4.431 3.960 0.006 0.000 0.243 475 G C -0.084 174.783 174.900 -0.056 0.000 1.229 475 G CA -0.444 44.639 45.100 -0.029 0.000 0.843 475 G HN 0.466 nan 8.290 nan 0.000 0.578 476 R N -0.316 120.127 120.500 -0.095 0.000 2.807 476 R HA 0.433 4.777 4.340 0.006 0.000 0.276 476 R C -1.016 175.214 176.300 -0.117 0.000 0.979 476 R CA -0.920 55.114 56.100 -0.110 0.000 0.928 476 R CB 2.569 32.783 30.300 -0.143 0.000 1.191 476 R HN 0.338 nan 8.270 nan 0.000 0.471 477 V N 4.397 124.244 119.914 -0.111 0.000 2.455 477 V HA 0.194 4.317 4.120 0.006 0.000 0.273 477 V C 0.259 176.303 176.094 -0.084 0.000 1.045 477 V CA -0.042 62.195 62.300 -0.105 0.000 0.976 477 V CB 0.601 32.354 31.823 -0.117 0.000 0.993 477 V HN 0.460 nan 8.190 nan 0.000 0.475 478 L N 5.225 126.404 121.223 -0.073 0.000 2.387 478 L HA 0.573 4.916 4.340 0.006 0.000 0.266 478 L C 0.016 176.876 176.870 -0.016 0.000 1.059 478 L CA -0.554 54.251 54.840 -0.059 0.000 0.801 478 L CB 1.242 43.259 42.059 -0.070 0.000 1.223 478 L HN 0.615 nan 8.230 nan 0.000 0.456 479 N N -0.768 117.932 118.700 -0.001 0.000 2.265 479 N HA 0.702 5.445 4.740 0.006 0.000 0.300 479 N C -0.521 175.011 175.510 0.036 0.000 1.148 479 N CA -0.723 52.342 53.050 0.025 0.000 0.772 479 N CB 1.677 40.180 38.487 0.028 0.000 1.434 479 N HN 0.610 nan 8.380 nan 0.000 0.481 480 R N 0.000 120.532 120.500 0.053 0.000 2.786 480 R HA 0.000 4.344 4.340 0.006 0.000 0.208 480 R CA 0.000 56.139 56.100 0.065 0.000 0.921 480 R CB 0.000 30.351 30.300 0.085 0.000 0.687 480 R HN 0.000 nan 8.270 nan 0.000 0.535