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 1ivy_1_B DATA FIRST_RESID 1 DATA SEQUENCE APDQDEIQRL PGLAKQPSFR QYSGYLKSSG SKHLHYWFVE SQKDPENSPV DATA SEQUENCE VLWLNGGPGc SSLDGLLTEH GPFLVQPDGV TLEYNPYSWN LIANVLYLES DATA SEQUENCE PAGVGFSYSD DKFYATNDTE VAQSNFEALQ DFFRLFPEYK NNKLFLTGES DATA SEQUENCE YAGIYIPTLA VLVMQDPSMN LQGLAVGNGL SSYEQNDNSL VYFAYYHGLL DATA SEQUENCE GNRLWSSLQT HccSQNKcNF YDNKDLEcVT NLQEVARIVG NSGLNIYNLY DATA SEQUENCE APcAGGVPXX FRYEKDTVVV QDLGNIFTRL PLKRMWHQAL LRSGDKVRMD DATA SEQUENCE PPcTNTTAAS TYLNNPYVRK ALNIPEQLPQ WDMcNFLVNL QYRRLYRSMN DATA SEQUENCE SQYLKLLSSQ KYQILLYNGD VDMACNFMGD EWFVDSLNQK MEVQRRPWLV DATA SEQUENCE KYGDSGEQIA GFVKEFSHIA FLTIKGAGHM VPTDKPLAAF TMFSRFLNKQ DATA SEQUENCE PY VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.248 177.584 -0.560 0.000 1.274 1 A CA 0.000 51.514 52.037 -0.872 0.000 0.836 1 A CB 0.000 18.626 19.000 -0.624 0.000 0.831 2 P HA 0.255 nan 4.420 nan 0.000 0.268 2 P C -0.403 176.977 177.300 0.134 0.000 1.541 2 P CA 0.255 63.250 63.100 -0.175 0.000 1.093 2 P CB 0.289 31.921 31.700 -0.112 0.000 1.551 3 D N 2.188 122.669 120.400 0.133 0.000 2.149 3 D HA -0.262 4.380 4.640 0.002 0.000 0.194 3 D C 2.049 178.450 176.300 0.168 0.000 1.001 3 D CA 1.525 55.641 54.000 0.193 0.000 0.849 3 D CB -0.125 40.735 40.800 0.100 0.000 0.939 3 D HN 0.463 nan 8.370 nan 0.000 0.449 4 Q N 0.706 120.583 119.800 0.128 0.000 2.364 4 Q HA -0.151 4.191 4.340 0.002 0.000 0.207 4 Q C 0.498 176.580 176.000 0.137 0.000 0.970 4 Q CA 1.241 57.107 55.803 0.104 0.000 0.888 4 Q CB 0.032 28.817 28.738 0.079 0.000 0.951 4 Q HN 0.262 nan 8.270 nan 0.000 0.469 5 D N 1.264 121.807 120.400 0.239 0.000 2.327 5 D HA 0.007 4.649 4.640 0.002 0.000 0.205 5 D C 0.001 176.458 176.300 0.263 0.000 0.989 5 D CA 0.146 54.325 54.000 0.298 0.000 0.873 5 D CB 0.039 41.125 40.800 0.476 0.000 0.955 5 D HN 0.443 nan 8.370 nan 0.000 0.515 6 E N 0.887 121.201 120.200 0.190 0.000 2.529 6 E HA -0.057 4.294 4.350 0.002 0.000 0.259 6 E C -0.218 176.308 176.600 -0.124 0.000 0.966 6 E CA 0.038 56.311 56.400 -0.212 0.000 0.937 6 E CB 0.401 29.924 29.700 -0.295 0.000 0.923 6 E HN 0.129 nan 8.360 nan 0.000 0.468 7 I N 5.798 126.279 120.570 -0.149 0.000 2.308 7 I HA -0.043 4.128 4.170 0.002 0.000 0.293 7 I C 1.387 177.446 176.117 -0.098 0.000 1.078 7 I CA 0.027 61.257 61.300 -0.115 0.000 1.292 7 I CB 0.797 38.731 38.000 -0.111 0.000 1.423 7 I HN 0.643 nan 8.210 nan 0.000 0.493 8 Q N 4.975 124.725 119.800 -0.083 0.000 2.049 8 Q HA 0.008 4.349 4.340 0.002 0.000 0.198 8 Q C 0.952 176.913 176.000 -0.065 0.000 0.971 8 Q CA 1.013 56.776 55.803 -0.068 0.000 0.833 8 Q CB 0.249 28.957 28.738 -0.050 0.000 0.896 8 Q HN 0.511 nan 8.270 nan 0.000 0.434 9 R N 0.652 121.111 120.500 -0.069 0.000 2.631 9 R HA 0.241 4.582 4.340 0.002 0.000 0.289 9 R C -1.885 174.364 176.300 -0.084 0.000 1.303 9 R CA -0.374 55.682 56.100 -0.073 0.000 0.989 9 R CB 0.745 31.004 30.300 -0.067 0.000 1.208 9 R HN 0.002 nan 8.270 nan 0.000 0.461 10 L N 6.063 127.229 121.223 -0.094 0.000 2.319 10 L HA 0.478 4.820 4.340 0.002 0.000 0.280 10 L C -2.242 174.576 176.870 -0.088 0.000 1.099 10 L CA -1.703 53.080 54.840 -0.094 0.000 0.828 10 L CB 0.818 42.814 42.059 -0.106 0.000 1.150 10 L HN 0.517 nan 8.230 nan 0.000 0.442 11 P HA 0.328 nan 4.420 nan 0.000 0.269 11 P C 0.496 177.831 177.300 0.059 0.000 1.209 11 P CA 0.590 63.667 63.100 -0.039 0.000 0.776 11 P CB 0.886 32.546 31.700 -0.066 0.000 0.876 12 G N 1.096 109.900 108.800 0.005 0.000 2.279 12 G HA2 -0.202 3.759 3.960 0.002 0.000 0.223 12 G HA3 -0.202 3.759 3.960 0.002 0.000 0.223 12 G C -0.185 174.644 174.900 -0.118 0.000 1.015 12 G CA -0.418 44.676 45.100 -0.009 0.000 0.621 12 G HN 0.463 nan 8.290 nan 0.000 0.506 13 L N 1.353 122.476 121.223 -0.167 0.000 2.290 13 L HA 0.623 4.964 4.340 0.002 0.000 0.284 13 L C 1.785 178.616 176.870 -0.064 0.000 1.078 13 L CA -0.012 54.720 54.840 -0.180 0.000 0.815 13 L CB 1.524 43.417 42.059 -0.276 0.000 1.162 13 L HN 0.243 nan 8.230 nan 0.000 0.435 14 A N 3.748 126.562 122.820 -0.011 0.000 2.119 14 A HA 0.014 4.335 4.320 0.002 0.000 0.216 14 A C 0.880 178.483 177.584 0.032 0.000 1.152 14 A CA 0.910 52.952 52.037 0.008 0.000 0.708 14 A CB 0.028 19.037 19.000 0.016 0.000 0.805 14 A HN 0.661 nan 8.150 nan 0.000 0.460 15 K N 0.465 120.921 120.400 0.093 0.000 2.468 15 K HA 0.299 4.620 4.320 0.002 0.000 0.252 15 K C -1.048 175.623 176.600 0.118 0.000 0.932 15 K CA -0.676 55.661 56.287 0.083 0.000 0.794 15 K CB 1.043 33.587 32.500 0.072 0.000 1.241 15 K HN 0.092 nan 8.250 nan 0.000 0.428 16 Q N 2.449 122.271 119.800 0.037 0.000 2.394 16 Q HA 0.282 4.623 4.340 0.002 0.000 0.248 16 Q C -2.196 173.817 176.000 0.023 0.000 0.992 16 Q CA -1.720 54.093 55.803 0.017 0.000 0.888 16 Q CB 0.476 29.195 28.738 -0.032 0.000 1.257 16 Q HN 0.454 nan 8.270 nan 0.000 0.462 17 P HA 0.111 nan 4.420 nan 0.000 0.272 17 P C 0.056 177.193 177.300 -0.271 0.000 1.230 17 P CA 0.022 62.995 63.100 -0.210 0.000 0.788 17 P CB 0.663 31.966 31.700 -0.662 0.000 0.949 18 S N -0.124 115.439 115.700 -0.229 0.000 2.501 18 S HA 0.151 4.622 4.470 0.002 0.000 0.220 18 S C 0.402 175.015 174.600 0.022 0.000 0.997 18 S CA 0.216 58.388 58.200 -0.046 0.000 0.919 18 S CB -0.575 62.664 63.200 0.066 0.000 0.778 18 S HN 0.528 nan 8.310 nan 0.000 0.523 19 F N 0.816 120.838 119.950 0.119 0.000 2.507 19 F HA 0.686 5.214 4.527 0.002 0.000 0.327 19 F C 0.017 175.907 175.800 0.150 0.000 1.068 19 F CA -1.668 56.410 58.000 0.130 0.000 0.965 19 F CB 0.737 39.806 39.000 0.115 0.000 1.192 19 F HN -0.380 nan 8.300 nan 0.000 0.476 20 R N 1.899 122.580 120.500 0.301 0.000 2.441 20 R HA 0.397 4.738 4.340 0.002 0.000 0.284 20 R C -0.906 175.611 176.300 0.362 0.000 1.070 20 R CA -0.674 55.555 56.100 0.216 0.000 1.047 20 R CB 1.197 31.666 30.300 0.281 0.000 1.016 20 R HN 0.919 nan 8.270 nan 0.000 0.477 21 Q N 1.356 121.271 119.800 0.191 0.000 2.379 21 Q HA 0.469 4.810 4.340 0.002 0.000 0.278 21 Q C -1.589 174.533 176.000 0.203 0.000 1.068 21 Q CA -0.953 55.100 55.803 0.416 0.000 0.816 21 Q CB 1.726 30.832 28.738 0.614 0.000 1.387 21 Q HN 0.437 nan 8.270 nan 0.000 0.413 22 Y N -0.011 120.638 120.300 0.582 0.000 2.499 22 Y HA 0.713 5.264 4.550 0.002 0.000 0.347 22 Y C -0.430 175.613 175.900 0.238 0.000 0.987 22 Y CA -0.917 57.483 58.100 0.499 0.000 1.044 22 Y CB 2.889 41.884 38.460 0.892 0.000 1.245 22 Y HN 0.726 nan 8.280 nan 0.000 0.461 23 S N 0.936 116.667 115.700 0.052 0.000 2.672 23 S HA 0.865 5.337 4.470 0.002 0.000 0.291 23 S C -0.460 173.934 174.600 -0.343 0.000 1.145 23 S CA 0.203 58.211 58.200 -0.321 0.000 1.013 23 S CB 0.733 63.719 63.200 -0.357 0.000 1.017 23 S HN 1.137 nan 8.310 nan 0.000 0.487 24 G N 2.913 111.238 108.800 -0.791 0.000 2.694 24 G HA2 0.560 4.521 3.960 0.002 0.000 0.246 24 G HA3 0.560 4.521 3.960 0.002 0.000 0.246 24 G C -2.270 172.533 174.900 -0.162 0.000 1.205 24 G CA -0.399 44.586 45.100 -0.192 0.000 0.891 24 G HN 0.563 nan 8.290 nan 0.000 0.515 25 Y N -0.494 120.080 120.300 0.457 0.000 2.462 25 Y HA 0.677 5.228 4.550 0.002 0.000 0.346 25 Y C -0.078 176.125 175.900 0.505 0.000 0.976 25 Y CA -0.682 57.726 58.100 0.514 0.000 1.044 25 Y CB 2.422 41.142 38.460 0.434 0.000 1.230 25 Y HN 0.266 nan 8.280 nan 0.000 0.455 26 L N 3.556 125.089 121.223 0.517 0.000 2.305 26 L HA 0.491 4.832 4.340 0.002 0.000 0.284 26 L C -0.512 176.494 176.870 0.226 0.000 1.013 26 L CA -0.944 54.072 54.840 0.293 0.000 0.819 26 L CB 1.512 43.669 42.059 0.164 0.000 1.227 26 L HN 0.498 nan 8.230 nan 0.000 0.417 27 K N 1.870 122.368 120.400 0.163 0.000 2.298 27 K HA 0.370 4.692 4.320 0.002 0.000 0.280 27 K C 0.028 176.618 176.600 -0.017 0.000 1.032 27 K CA 0.048 56.356 56.287 0.035 0.000 0.958 27 K CB 1.308 33.843 32.500 0.057 0.000 0.978 27 K HN 0.667 nan 8.250 nan 0.000 0.472 28 S N 0.868 116.518 115.700 -0.083 0.000 2.806 28 S HA 0.424 4.895 4.470 0.002 0.000 0.306 28 S C -0.807 173.762 174.600 -0.051 0.000 1.167 28 S CA -0.682 57.495 58.200 -0.039 0.000 0.847 28 S CB 0.758 63.951 63.200 -0.011 0.000 1.216 28 S HN 0.623 nan 8.310 nan 0.000 0.532 29 S N 0.824 116.522 115.700 -0.004 0.000 2.711 29 S HA 0.409 4.880 4.470 0.002 0.000 0.320 29 S C 1.299 175.893 174.600 -0.010 0.000 1.240 29 S CA 0.286 58.492 58.200 0.010 0.000 1.034 29 S CB -1.464 61.759 63.200 0.039 0.000 0.741 29 S HN 2.477 nan 8.310 nan 0.000 0.496 30 G N 3.136 111.936 108.800 -0.000 0.000 2.582 30 G HA2 -0.300 3.662 3.960 0.002 0.000 0.288 30 G HA3 -0.300 3.662 3.960 0.002 0.000 0.288 30 G C 0.705 175.584 174.900 -0.035 0.000 1.247 30 G CA 0.167 45.268 45.100 0.002 0.000 0.972 30 G HN 1.730 nan 8.290 nan 0.000 0.557 31 S N 1.172 116.867 115.700 -0.009 0.000 2.727 31 S HA 0.133 4.604 4.470 0.002 0.000 0.226 31 S C 0.779 175.284 174.600 -0.158 0.000 0.963 31 S CA 1.144 59.335 58.200 -0.016 0.000 0.950 31 S CB -0.119 63.117 63.200 0.061 0.000 0.779 31 S HN 0.589 nan 8.310 nan 0.000 0.532 32 K N 1.971 122.221 120.400 -0.250 0.000 2.234 32 K HA 0.357 4.678 4.320 0.002 0.000 0.282 32 K C -1.053 175.155 176.600 -0.653 0.000 1.039 32 K CA -0.196 55.895 56.287 -0.327 0.000 0.928 32 K CB 0.470 32.908 32.500 -0.103 0.000 1.039 32 K HN 0.287 nan 8.250 nan 0.000 0.470 33 H N 1.887 120.827 119.070 -0.216 0.000 2.800 33 H HA 0.277 4.835 4.556 0.002 0.000 0.322 33 H C -0.873 174.620 175.328 0.274 0.000 0.979 33 H CA -0.551 55.477 56.048 -0.033 0.000 1.277 33 H CB 0.865 30.443 29.762 -0.307 0.000 1.484 33 H HN 0.236 nan 8.280 nan 0.000 0.512 34 L N 3.249 124.713 121.223 0.401 0.000 2.264 34 L HA 0.217 4.559 4.340 0.002 0.000 0.289 34 L C 0.589 177.687 176.870 0.381 0.000 1.044 34 L CA -0.523 54.537 54.840 0.367 0.000 0.807 34 L CB 0.757 42.933 42.059 0.194 0.000 1.192 34 L HN 0.662 nan 8.230 nan 0.000 0.425 35 H N 4.493 123.674 119.070 0.186 0.000 2.975 35 H HA 0.103 4.660 4.556 0.002 0.000 0.303 35 H C -1.195 174.202 175.328 0.116 0.000 1.023 35 H CA -0.269 55.645 56.048 -0.223 0.000 1.473 35 H CB 0.556 30.263 29.762 -0.092 0.000 1.498 35 H HN 0.549 nan 8.280 nan 0.000 0.549 36 Y N 4.446 124.454 120.300 -0.486 0.000 2.587 36 Y HA 0.465 5.016 4.550 0.002 0.000 0.337 36 Y C -1.578 174.209 175.900 -0.188 0.000 1.065 36 Y CA -1.625 56.349 58.100 -0.210 0.000 1.126 36 Y CB 1.303 39.781 38.460 0.031 0.000 1.279 36 Y HN 0.548 nan 8.280 nan 0.000 0.489 37 W N 5.385 126.712 121.300 0.045 0.000 2.740 37 W HA 0.368 5.029 4.660 0.002 0.000 0.316 37 W C -2.683 174.128 176.519 0.488 0.000 1.020 37 W CA -2.130 55.299 57.345 0.140 0.000 1.278 37 W CB 1.236 30.762 29.460 0.110 0.000 1.224 37 W HN 0.571 nan 8.180 nan 0.000 0.393 38 F N 6.962 127.413 119.950 0.834 0.000 2.408 38 F HA 0.605 5.133 4.527 0.002 0.000 0.344 38 F C -0.553 175.625 175.800 0.629 0.000 1.112 38 F CA -0.950 57.409 58.000 0.599 0.000 1.096 38 F CB 1.100 40.399 39.000 0.498 0.000 1.129 38 F HN 0.081 nan 8.300 nan 0.000 0.486 39 V N 3.589 123.417 119.914 -0.143 0.000 2.407 39 V HA 0.522 4.643 4.120 0.002 0.000 0.291 39 V C -0.386 175.377 176.094 -0.552 0.000 1.018 39 V CA -0.822 61.404 62.300 -0.124 0.000 0.842 39 V CB 1.093 32.869 31.823 -0.079 0.000 0.996 39 V HN 0.798 nan 8.190 nan 0.000 0.426 40 E N 2.423 122.411 120.200 -0.352 0.000 2.392 40 E HA 0.259 4.610 4.350 0.002 0.000 0.259 40 E C 0.316 176.808 176.600 -0.179 0.000 1.108 40 E CA -0.204 56.027 56.400 -0.281 0.000 0.916 40 E CB 1.085 30.866 29.700 0.135 0.000 0.989 40 E HN 0.857 nan 8.360 nan 0.000 0.432 41 S N 0.834 116.477 115.700 -0.096 0.000 2.549 41 S HA -0.075 4.396 4.470 0.002 0.000 0.286 41 S C 0.857 175.461 174.600 0.005 0.000 1.314 41 S CA -0.005 58.161 58.200 -0.056 0.000 1.062 41 S CB 0.540 63.751 63.200 0.018 0.000 0.865 41 S HN 0.428 nan 8.310 nan 0.000 0.498 42 Q N 1.548 121.324 119.800 -0.040 0.000 2.472 42 Q HA 0.083 4.424 4.340 0.002 0.000 0.208 42 Q C -0.236 175.815 176.000 0.085 0.000 0.958 42 Q CA 0.651 56.486 55.803 0.055 0.000 0.932 42 Q CB 0.111 28.848 28.738 -0.002 0.000 1.007 42 Q HN 0.367 nan 8.270 nan 0.000 0.508 43 K N 0.803 121.244 120.400 0.069 0.000 2.565 43 K HA 0.081 4.403 4.320 0.002 0.000 0.249 43 K C -1.582 175.067 176.600 0.082 0.000 0.958 43 K CA -0.442 55.888 56.287 0.072 0.000 0.806 43 K CB 1.127 33.658 32.500 0.051 0.000 1.194 43 K HN -0.095 nan 8.250 nan 0.000 0.434 44 D N 4.951 125.410 120.400 0.098 0.000 2.735 44 D HA -0.130 4.512 4.640 0.002 0.000 0.235 44 D C -1.418 174.969 176.300 0.145 0.000 1.175 44 D CA 0.883 54.951 54.000 0.113 0.000 0.683 44 D CB 0.292 41.144 40.800 0.087 0.000 1.008 44 D HN 0.512 nan 8.370 nan 0.000 0.416 45 P HA -0.204 nan 4.420 nan 0.000 0.219 45 P C 1.390 178.900 177.300 0.350 0.000 1.146 45 P CA 2.232 65.469 63.100 0.229 0.000 0.808 45 P CB -0.020 31.850 31.700 0.282 0.000 0.779 46 E N 1.044 121.438 120.200 0.324 0.000 2.118 46 E HA -0.198 4.153 4.350 0.002 0.000 0.195 46 E C 1.753 178.522 176.600 0.282 0.000 0.992 46 E CA 1.478 58.074 56.400 0.326 0.000 0.804 46 E CB -1.289 28.532 29.700 0.202 0.000 0.741 46 E HN 0.357 nan 8.360 nan 0.000 0.458 47 N N -0.301 118.521 118.700 0.204 0.000 2.205 47 N HA 0.088 4.829 4.740 0.002 0.000 0.201 47 N C -0.160 175.435 175.510 0.142 0.000 1.128 47 N CA 0.172 53.316 53.050 0.158 0.000 0.867 47 N CB 0.962 39.513 38.487 0.106 0.000 0.996 47 N HN 0.206 nan 8.380 nan 0.000 0.503 48 S N 2.787 118.577 115.700 0.150 0.000 2.580 48 S HA 0.252 4.723 4.470 0.002 0.000 0.274 48 S C -2.248 172.429 174.600 0.128 0.000 1.329 48 S CA -0.811 57.453 58.200 0.106 0.000 1.036 48 S CB 1.205 64.453 63.200 0.081 0.000 0.919 48 S HN 0.151 nan 8.310 nan 0.000 0.515 49 P HA 0.122 nan 4.420 nan 0.000 0.271 49 P C -0.775 176.639 177.300 0.189 0.000 1.218 49 P CA -0.279 62.944 63.100 0.206 0.000 0.780 49 P CB 0.425 32.296 31.700 0.284 0.000 0.901 50 V N 3.471 123.519 119.914 0.223 0.000 2.498 50 V HA 0.177 4.299 4.120 0.002 0.000 0.279 50 V C 0.486 176.710 176.094 0.218 0.000 1.048 50 V CA -0.223 62.176 62.300 0.166 0.000 0.967 50 V CB 1.513 33.450 31.823 0.190 0.000 0.988 50 V HN 0.265 nan 8.190 nan 0.000 0.473 51 V N 6.334 126.344 119.914 0.160 0.000 2.409 51 V HA 0.367 4.488 4.120 0.002 0.000 0.290 51 V C -0.374 175.772 176.094 0.086 0.000 1.017 51 V CA -0.575 61.858 62.300 0.222 0.000 0.841 51 V CB 1.623 33.625 31.823 0.298 0.000 1.003 51 V HN 0.696 nan 8.190 nan 0.000 0.426 52 L N 5.556 126.825 121.223 0.077 0.000 2.349 52 L HA 0.519 4.860 4.340 0.002 0.000 0.275 52 L C -0.797 176.124 176.870 0.084 0.000 1.115 52 L CA 0.221 55.051 54.840 -0.016 0.000 0.820 52 L CB 0.902 42.930 42.059 -0.052 0.000 1.135 52 L HN 0.785 nan 8.230 nan 0.000 0.445 53 W N 8.028 129.214 121.300 -0.190 0.000 2.538 53 W HA 0.533 5.195 4.660 0.002 0.000 0.322 53 W C -2.312 174.172 176.519 -0.059 0.000 1.028 53 W CA -0.873 56.378 57.345 -0.157 0.000 1.228 53 W CB 1.518 30.747 29.460 -0.386 0.000 1.356 53 W HN 0.403 nan 8.180 nan 0.000 0.452 54 L N 5.780 126.531 121.223 -0.787 0.000 2.386 54 L HA 0.347 4.689 4.340 0.002 0.000 0.271 54 L C -0.046 176.400 176.870 -0.708 0.000 0.993 54 L CA -0.735 53.809 54.840 -0.493 0.000 0.819 54 L CB 2.319 44.252 42.059 -0.210 0.000 1.294 54 L HN 0.451 nan 8.230 nan 0.000 0.414 55 N N -0.151 118.391 118.700 -0.264 0.000 2.566 55 N HA 0.647 5.388 4.740 0.002 0.000 0.299 55 N C 0.230 175.746 175.510 0.010 0.000 1.277 55 N CA 0.125 53.102 53.050 -0.121 0.000 0.965 55 N CB 1.336 39.889 38.487 0.110 0.000 1.142 55 N HN 0.698 nan 8.380 nan 0.000 0.596 56 G N -2.473 106.336 108.800 0.016 0.000 3.414 56 G HA2 0.594 4.555 3.960 0.002 0.000 0.196 56 G HA3 0.594 4.555 3.960 0.002 0.000 0.196 56 G C 0.166 175.071 174.900 0.009 0.000 1.486 56 G CA 0.162 45.274 45.100 0.021 0.000 0.811 56 G HN 0.813 nan 8.290 nan 0.000 0.704 57 G N -0.174 108.585 108.800 -0.067 0.000 1.828 57 G HA2 0.028 3.989 3.960 0.002 0.000 0.128 57 G HA3 0.028 3.989 3.960 0.002 0.000 0.128 57 G C -2.565 172.140 174.900 -0.325 0.000 2.299 57 G CA 0.234 45.245 45.100 -0.148 0.000 1.389 57 G HN 0.793 nan 8.290 nan 0.000 0.437 58 P HA 0.425 nan 4.420 nan 0.000 0.275 58 P C 0.672 177.703 177.300 -0.447 0.000 1.227 58 P CA 1.810 64.400 63.100 -0.850 0.000 0.781 58 P CB 1.046 31.624 31.700 -1.869 0.000 0.906 59 G N 1.096 109.759 108.800 -0.229 0.000 2.159 59 G HA2 -0.133 3.828 3.960 0.002 0.000 0.170 59 G HA3 -0.133 3.828 3.960 0.002 0.000 0.170 59 G C -0.138 174.697 174.900 -0.109 0.000 1.007 59 G CA -0.412 44.597 45.100 -0.151 0.000 0.672 59 G HN 0.657 nan 8.290 nan 0.000 0.507 60 c N 0.352 118.917 118.600 -0.059 0.000 2.470 60 c HA 0.860 5.432 4.570 0.002 0.000 0.341 60 c C 1.113 175.214 174.090 0.018 0.000 1.190 60 c CA -0.046 56.260 56.329 -0.039 0.000 1.904 60 c CB 1.527 44.037 42.510 0.001 0.000 2.354 60 c HN 0.684 nan 8.230 nan 0.000 0.509 61 S N 0.797 116.513 115.700 0.027 0.000 2.545 61 S HA 0.137 4.608 4.470 0.002 0.000 0.275 61 S C 0.988 175.739 174.600 0.252 0.000 1.299 61 S CA -0.284 58.011 58.200 0.158 0.000 1.048 61 S CB 0.754 64.097 63.200 0.239 0.000 0.938 61 S HN 0.751 nan 8.310 nan 0.000 0.496 62 S N 4.392 120.263 115.700 0.284 0.000 2.515 62 S HA 0.087 4.558 4.470 0.002 0.000 0.231 62 S C 1.536 176.381 174.600 0.408 0.000 0.987 62 S CA 0.251 58.674 58.200 0.373 0.000 0.936 62 S CB -0.290 63.129 63.200 0.365 0.000 0.766 62 S HN 0.724 nan 8.310 nan 0.000 0.528 63 L N 1.114 122.542 121.223 0.341 0.000 2.376 63 L HA -0.065 4.277 4.340 0.002 0.000 0.219 63 L C 2.264 179.176 176.870 0.069 0.000 1.133 63 L CA 0.781 55.721 54.840 0.167 0.000 0.816 63 L CB -0.502 41.725 42.059 0.281 0.000 0.933 63 L HN 0.245 nan 8.230 nan 0.000 0.449 64 D N 0.793 121.317 120.400 0.207 0.000 2.097 64 D HA -0.138 4.504 4.640 0.002 0.000 0.197 64 D C 2.122 178.414 176.300 -0.013 0.000 0.984 64 D CA 1.553 55.637 54.000 0.140 0.000 0.826 64 D CB 0.012 40.931 40.800 0.197 0.000 0.973 64 D HN 0.177 nan 8.370 nan 0.000 0.460 65 G N 0.679 109.523 108.800 0.074 0.000 2.432 65 G HA2 -0.201 3.760 3.960 0.002 0.000 0.219 65 G HA3 -0.201 3.760 3.960 0.002 0.000 0.219 65 G C 1.780 176.361 174.900 -0.533 0.000 1.135 65 G CA 0.765 45.736 45.100 -0.215 0.000 0.767 65 G HN 0.374 nan 8.290 nan 0.000 0.550 66 L N -0.258 120.630 121.223 -0.558 0.000 2.013 66 L HA 0.184 4.525 4.340 0.002 0.000 0.204 66 L C 2.782 179.247 176.870 -0.676 0.000 1.081 66 L CA 0.829 55.035 54.840 -1.057 0.000 0.751 66 L CB -0.181 40.967 42.059 -1.519 0.000 0.901 66 L HN 0.146 nan 8.230 nan 0.000 0.440 67 L N -0.752 120.185 121.223 -0.477 0.000 2.275 67 L HA -0.133 4.208 4.340 0.002 0.000 0.215 67 L C 2.210 178.943 176.870 -0.228 0.000 1.119 67 L CA 1.580 56.236 54.840 -0.307 0.000 0.790 67 L CB -0.625 41.307 42.059 -0.213 0.000 0.919 67 L HN 0.537 nan 8.230 nan 0.000 0.443 68 T N -5.452 108.971 114.554 -0.219 0.000 2.975 68 T HA 0.149 4.500 4.350 0.002 0.000 0.261 68 T C 1.218 175.791 174.700 -0.213 0.000 0.984 68 T CA -0.254 61.750 62.100 -0.160 0.000 0.911 68 T CB 0.569 69.395 68.868 -0.071 0.000 1.127 68 T HN 0.233 nan 8.240 nan 0.000 0.514 69 E N 1.397 121.378 120.200 -0.364 0.000 2.184 69 E HA 0.167 4.519 4.350 0.002 0.000 0.194 69 E C 1.084 177.345 176.600 -0.564 0.000 0.978 69 E CA 0.405 56.498 56.400 -0.512 0.000 0.998 69 E CB 0.188 29.423 29.700 -0.776 0.000 1.240 69 E HN 0.793 nan 8.360 nan 0.000 0.492 70 H N -0.559 118.127 119.070 -0.639 0.000 2.777 70 H HA 0.448 5.005 4.556 0.002 0.000 0.244 70 H C 0.273 175.281 175.328 -0.533 0.000 1.185 70 H CA -0.498 55.144 56.048 -0.677 0.000 0.945 70 H CB 0.290 29.226 29.762 -1.375 0.000 1.994 70 H HN 0.087 nan 8.280 nan 0.000 0.638 71 G N 2.238 110.801 108.800 -0.395 0.000 2.634 71 G HA2 0.144 4.105 3.960 0.002 0.000 0.255 71 G HA3 0.144 4.105 3.960 0.002 0.000 0.255 71 G C -1.107 173.457 174.900 -0.560 0.000 1.205 71 G CA -1.217 43.534 45.100 -0.581 0.000 0.884 71 G HN 0.062 nan 8.290 nan 0.000 0.549 72 P HA 0.001 nan 4.420 nan 0.000 0.225 72 P C -0.359 176.687 177.300 -0.424 0.000 1.148 72 P CA 1.016 63.754 63.100 -0.603 0.000 0.779 72 P CB -0.134 31.165 31.700 -0.668 0.000 0.780 73 F N -1.904 117.929 119.950 -0.196 0.000 2.654 73 F HA 0.615 5.143 4.527 0.002 0.000 0.308 73 F C -0.997 174.628 175.800 -0.292 0.000 1.108 73 F CA -1.938 55.895 58.000 -0.279 0.000 0.957 73 F CB 0.565 39.289 39.000 -0.460 0.000 1.309 73 F HN -0.398 nan 8.300 nan 0.000 0.446 74 L N 2.020 123.221 121.223 -0.037 0.000 2.354 74 L HA 0.737 5.078 4.340 0.002 0.000 0.264 74 L C -0.587 176.198 176.870 -0.143 0.000 1.008 74 L CA -1.549 53.221 54.840 -0.116 0.000 0.819 74 L CB 2.093 44.086 42.059 -0.110 0.000 1.339 74 L HN 0.687 nan 8.230 nan 0.000 0.420 75 V N 2.347 122.152 119.914 -0.182 0.000 2.614 75 V HA 0.192 4.313 4.120 0.002 0.000 0.291 75 V C -0.107 175.917 176.094 -0.116 0.000 1.049 75 V CA -0.302 61.870 62.300 -0.214 0.000 1.038 75 V CB 1.309 32.995 31.823 -0.229 0.000 0.980 75 V HN 0.667 nan 8.190 nan 0.000 0.481 76 Q N 6.312 126.051 119.800 -0.101 0.000 2.221 76 Q HA 0.364 4.705 4.340 0.002 0.000 0.242 76 Q C -1.741 174.246 176.000 -0.022 0.000 0.940 76 Q CA -2.145 53.629 55.803 -0.049 0.000 0.896 76 Q CB 0.616 29.327 28.738 -0.044 0.000 1.226 76 Q HN 0.454 nan 8.270 nan 0.000 0.463 77 P HA -0.206 nan 4.420 nan 0.000 0.218 77 P C 0.475 177.788 177.300 0.021 0.000 1.146 77 P CA 1.583 64.691 63.100 0.012 0.000 0.820 77 P CB 0.219 31.927 31.700 0.013 0.000 0.778 78 D N -1.590 118.820 120.400 0.017 0.000 2.312 78 D HA -0.016 4.625 4.640 0.002 0.000 0.211 78 D C 1.395 177.724 176.300 0.049 0.000 0.964 78 D CA 1.026 55.044 54.000 0.028 0.000 0.877 78 D CB -1.345 39.468 40.800 0.021 0.000 0.924 78 D HN 0.179 nan 8.370 nan 0.000 0.515 79 G N -0.614 108.217 108.800 0.052 0.000 2.249 79 G HA2 -0.253 3.709 3.960 0.002 0.000 0.273 79 G HA3 -0.253 3.709 3.960 0.002 0.000 0.273 79 G C 0.675 175.678 174.900 0.173 0.000 1.036 79 G CA 0.551 45.714 45.100 0.105 0.000 0.824 79 G HN 0.431 nan 8.290 nan 0.000 0.504 80 V N -1.307 118.682 119.914 0.124 0.000 3.161 80 V HA 0.212 4.334 4.120 0.002 0.000 0.228 80 V C 1.383 177.534 176.094 0.096 0.000 1.415 80 V CA 1.605 63.998 62.300 0.155 0.000 1.285 80 V CB 0.634 32.502 31.823 0.075 0.000 1.100 80 V HN 0.362 nan 8.190 nan 0.000 0.478 81 T N 2.849 117.399 114.554 -0.008 0.000 2.875 81 T HA 0.671 5.023 4.350 0.002 0.000 0.284 81 T C -0.566 174.027 174.700 -0.179 0.000 0.995 81 T CA 0.006 62.062 62.100 -0.072 0.000 1.060 81 T CB 1.387 70.227 68.868 -0.047 0.000 0.967 81 T HN 0.033 nan 8.240 nan 0.000 0.476 82 L N 2.663 123.749 121.223 -0.229 0.000 2.362 82 L HA 0.561 4.903 4.340 0.002 0.000 0.275 82 L C -0.070 176.675 176.870 -0.209 0.000 0.998 82 L CA -0.954 53.707 54.840 -0.298 0.000 0.820 82 L CB 1.713 43.481 42.059 -0.485 0.000 1.270 82 L HN 0.448 nan 8.230 nan 0.000 0.415 83 E N 1.939 122.060 120.200 -0.131 0.000 2.199 83 E HA 0.332 4.683 4.350 0.002 0.000 0.269 83 E C -1.157 175.436 176.600 -0.013 0.000 0.899 83 E CA -0.762 55.608 56.400 -0.050 0.000 0.772 83 E CB 2.192 31.888 29.700 -0.005 0.000 1.155 83 E HN 0.256 nan 8.360 nan 0.000 0.408 84 Y N 1.507 121.855 120.300 0.081 0.000 2.683 84 Y HA -0.055 4.496 4.550 0.002 0.000 0.340 84 Y C 1.246 177.146 175.900 0.001 0.000 1.245 84 Y CA 0.595 58.755 58.100 0.101 0.000 1.485 84 Y CB 0.403 38.917 38.460 0.090 0.000 1.328 84 Y HN 0.324 nan 8.280 nan 0.000 0.603 85 N N 4.516 123.281 118.700 0.108 0.000 2.476 85 N HA 0.255 4.997 4.740 0.002 0.000 0.257 85 N C -2.192 173.239 175.510 -0.132 0.000 0.970 85 N CA -2.525 50.509 53.050 -0.027 0.000 0.938 85 N CB 1.297 39.745 38.487 -0.065 0.000 1.144 85 N HN 0.212 nan 8.380 nan 0.000 0.500 86 P HA -0.033 nan 4.420 nan 0.000 0.237 86 P C -0.272 176.527 177.300 -0.835 0.000 1.178 86 P CA 0.849 63.605 63.100 -0.574 0.000 0.766 86 P CB 0.039 31.317 31.700 -0.703 0.000 0.876 87 Y N -0.873 119.340 120.300 -0.144 0.000 2.636 87 Y HA 0.275 4.826 4.550 0.003 0.000 0.260 87 Y C 1.346 177.252 175.900 0.010 0.000 1.177 87 Y CA -0.880 57.118 58.100 -0.169 0.000 1.209 87 Y CB -0.419 38.053 38.460 0.021 0.000 1.166 87 Y HN -0.144 nan 8.280 nan 0.000 0.531 88 S N -0.089 115.610 115.700 -0.002 0.000 2.552 88 S HA -0.120 4.351 4.470 0.002 0.000 0.289 88 S C 0.785 175.563 174.600 0.295 0.000 1.304 88 S CA -0.197 58.033 58.200 0.051 0.000 1.063 88 S CB 0.360 63.490 63.200 -0.117 0.000 0.848 88 S HN 0.496 nan 8.310 nan 0.000 0.499 89 W N 3.542 124.745 121.300 -0.162 0.000 2.519 89 W HA 0.037 4.698 4.660 0.002 0.000 0.266 89 W C 2.174 178.644 176.519 -0.082 0.000 1.253 89 W CA 0.443 57.625 57.345 -0.272 0.000 1.274 89 W CB -0.991 27.785 29.460 -1.140 0.000 1.114 89 W HN 0.881 nan 8.180 nan 0.000 0.596 90 N N 1.126 119.840 118.700 0.023 0.000 2.521 90 N HA -0.094 4.647 4.740 0.002 0.000 0.188 90 N C 1.288 176.740 175.510 -0.097 0.000 1.146 90 N CA 0.598 53.583 53.050 -0.109 0.000 0.893 90 N CB -0.628 37.660 38.487 -0.332 0.000 0.975 90 N HN 0.223 nan 8.380 nan 0.000 0.451 91 L N 0.466 121.703 121.223 0.024 0.000 2.201 91 L HA -0.010 4.331 4.340 0.002 0.000 0.212 91 L C 1.920 178.847 176.870 0.096 0.000 1.105 91 L CA 1.088 55.943 54.840 0.025 0.000 0.775 91 L CB -0.136 41.932 42.059 0.015 0.000 0.913 91 L HN 0.306 nan 8.230 nan 0.000 0.440 92 I N -5.202 115.471 120.570 0.173 0.000 4.338 92 I HA 0.523 4.695 4.170 0.002 0.000 0.329 92 I C 0.289 176.442 176.117 0.060 0.000 1.378 92 I CA -0.452 60.911 61.300 0.105 0.000 1.170 92 I CB 0.401 38.446 38.000 0.076 0.000 1.206 92 I HN -0.067 nan 8.210 nan 0.000 0.432 93 A N 1.017 123.891 122.820 0.090 0.000 2.587 93 A HA 0.616 4.938 4.320 0.002 0.000 0.293 93 A C -1.248 176.335 177.584 -0.001 0.000 1.087 93 A CA -0.667 51.416 52.037 0.076 0.000 0.692 93 A CB 1.115 20.237 19.000 0.203 0.000 1.291 93 A HN 0.183 nan 8.150 nan 0.000 0.407 94 N N 1.264 119.954 118.700 -0.017 0.000 2.602 94 N HA 0.319 5.061 4.740 0.002 0.000 0.238 94 N C -0.659 174.820 175.510 -0.051 0.000 1.084 94 N CA 0.104 53.070 53.050 -0.140 0.000 0.952 94 N CB 1.197 39.625 38.487 -0.099 0.000 1.244 94 N HN 0.377 nan 8.380 nan 0.000 0.512 95 V N 2.680 122.506 119.914 -0.148 0.000 2.498 95 V HA 0.215 4.337 4.120 0.002 0.000 0.279 95 V C 0.307 176.404 176.094 0.005 0.000 1.048 95 V CA -0.701 61.537 62.300 -0.104 0.000 0.967 95 V CB 1.369 33.070 31.823 -0.203 0.000 0.988 95 V HN 0.371 nan 8.190 nan 0.000 0.473 96 L N 6.659 127.868 121.223 -0.023 0.000 2.318 96 L HA 0.529 4.870 4.340 0.002 0.000 0.277 96 L C -1.037 175.813 176.870 -0.033 0.000 1.008 96 L CA -0.163 54.719 54.840 0.070 0.000 0.846 96 L CB 0.726 42.603 42.059 -0.304 0.000 1.220 96 L HN 0.523 nan 8.230 nan 0.000 0.423 97 Y N 5.461 125.871 120.300 0.182 0.000 2.327 97 Y HA 0.567 5.119 4.550 0.002 0.000 0.336 97 Y C -0.279 175.728 175.900 0.179 0.000 1.035 97 Y CA -0.355 57.864 58.100 0.198 0.000 1.165 97 Y CB 1.514 40.048 38.460 0.123 0.000 1.181 97 Y HN 0.535 nan 8.280 nan 0.000 0.494 98 L N 4.036 125.402 121.223 0.237 0.000 2.376 98 L HA 0.461 4.802 4.340 0.002 0.000 0.275 98 L C -0.742 176.225 176.870 0.160 0.000 0.987 98 L CA -0.600 54.338 54.840 0.164 0.000 0.828 98 L CB 1.420 43.518 42.059 0.065 0.000 1.249 98 L HN 0.556 nan 8.230 nan 0.000 0.409 99 E N 3.452 123.767 120.200 0.192 0.000 2.129 99 E HA 0.398 4.749 4.350 0.002 0.000 0.283 99 E C -0.824 175.850 176.600 0.125 0.000 1.080 99 E CA -0.118 56.406 56.400 0.207 0.000 0.867 99 E CB 1.063 30.962 29.700 0.331 0.000 1.056 99 E HN 0.498 nan 8.360 nan 0.000 0.404 100 S N 3.659 119.386 115.700 0.045 0.000 2.550 100 S HA 0.500 4.972 4.470 0.002 0.000 0.270 100 S C -2.625 171.925 174.600 -0.083 0.000 1.145 100 S CA -1.375 56.803 58.200 -0.036 0.000 0.852 100 S CB 1.560 64.694 63.200 -0.110 0.000 1.119 100 S HN 0.262 nan 8.310 nan 0.000 0.465 101 P HA 0.425 nan 4.420 nan 0.000 0.312 101 P C -0.761 176.506 177.300 -0.055 0.000 1.308 101 P CA -0.444 62.626 63.100 -0.049 0.000 0.743 101 P CB 0.162 31.866 31.700 0.006 0.000 1.364 102 A N -1.120 121.678 122.820 -0.035 0.000 2.565 102 A HA 0.367 4.688 4.320 0.002 0.000 0.237 102 A C 1.343 178.587 177.584 -0.567 0.000 1.053 102 A CA 1.085 53.059 52.037 -0.104 0.000 0.755 102 A CB -1.748 17.318 19.000 0.110 0.000 0.980 102 A HN 0.901 nan 8.150 nan 0.000 0.506 103 G N 0.826 109.148 108.800 -0.796 0.000 2.213 103 G HA2 -0.140 3.821 3.960 0.002 0.000 0.226 103 G HA3 -0.140 3.821 3.960 0.002 0.000 0.226 103 G C 0.161 174.816 174.900 -0.409 0.000 0.992 103 G CA 0.016 44.415 45.100 -1.169 0.000 0.632 103 G HN 1.437 nan 8.290 nan 0.000 0.511 104 V N 1.658 121.436 119.914 -0.227 0.000 2.406 104 V HA 0.623 4.745 4.120 0.002 0.000 0.272 104 V C 1.623 177.679 176.094 -0.063 0.000 1.043 104 V CA 0.972 63.188 62.300 -0.140 0.000 0.915 104 V CB 0.428 32.203 31.823 -0.080 0.000 0.988 104 V HN 1.949 nan 8.190 nan 0.000 0.466 105 G N 5.332 113.988 108.800 -0.240 0.000 2.602 105 G HA2 -0.334 3.627 3.960 0.002 0.000 0.310 105 G HA3 -0.334 3.627 3.960 0.002 0.000 0.310 105 G C 0.245 175.137 174.900 -0.013 0.000 1.183 105 G CA 0.947 45.859 45.100 -0.312 0.000 0.979 105 G HN 0.575 nan 8.290 nan 0.000 0.545 106 F N 3.025 123.238 119.950 0.439 0.000 2.693 106 F HA 0.473 5.001 4.527 0.003 0.000 0.303 106 F C 1.753 177.882 175.800 0.548 0.000 1.097 106 F CA 0.151 58.378 58.000 0.377 0.000 1.330 106 F CB 0.359 39.444 39.000 0.141 0.000 1.067 106 F HN 0.222 nan 8.300 nan 0.000 0.565 107 S N 0.240 116.305 115.700 0.609 0.000 2.617 107 S HA 0.508 4.979 4.470 0.002 0.000 0.269 107 S C -0.695 174.214 174.600 0.515 0.000 1.292 107 S CA -0.175 58.388 58.200 0.604 0.000 1.010 107 S CB 1.009 64.402 63.200 0.321 0.000 0.944 107 S HN 0.358 nan 8.310 nan 0.000 0.536 108 Y N -1.630 118.851 120.300 0.302 0.000 2.871 108 Y HA 0.722 5.274 4.550 0.002 0.000 0.331 108 Y C -1.045 175.111 175.900 0.426 0.000 1.378 108 Y CA -1.461 56.833 58.100 0.323 0.000 1.079 108 Y CB 0.508 39.158 38.460 0.317 0.000 1.441 108 Y HN 0.624 nan 8.280 nan 0.000 0.446 109 S N -0.611 115.340 115.700 0.418 0.000 2.540 109 S HA 0.355 4.827 4.470 0.002 0.000 0.275 109 S C -0.745 174.030 174.600 0.291 0.000 1.123 109 S CA -0.596 57.720 58.200 0.193 0.000 0.907 109 S CB 1.924 65.279 63.200 0.259 0.000 1.081 109 S HN 0.639 nan 8.310 nan 0.000 0.476 110 D N 1.833 122.372 120.400 0.232 0.000 2.190 110 D HA -0.125 4.516 4.640 0.002 0.000 0.200 110 D C 1.224 177.615 176.300 0.152 0.000 0.992 110 D CA 2.091 56.237 54.000 0.244 0.000 0.854 110 D CB -0.214 40.702 40.800 0.192 0.000 0.936 110 D HN 0.887 nan 8.370 nan 0.000 0.462 111 D N -0.339 120.119 120.400 0.097 0.000 2.350 111 D HA -0.032 4.609 4.640 0.002 0.000 0.213 111 D C 0.433 176.718 176.300 -0.024 0.000 1.031 111 D CA 0.038 54.064 54.000 0.043 0.000 0.861 111 D CB -0.173 40.651 40.800 0.039 0.000 0.926 111 D HN 0.030 nan 8.370 nan 0.000 0.520 112 K N -1.263 119.063 120.400 -0.125 0.000 3.209 112 K HA -0.237 4.084 4.320 0.002 0.000 0.289 112 K C -0.622 175.524 176.600 -0.757 0.000 1.191 112 K CA 0.437 56.410 56.287 -0.522 0.000 0.851 112 K CB -2.036 30.363 32.500 -0.168 0.000 1.242 112 K HN 0.301 nan 8.250 nan 0.000 0.480 113 F N 1.312 120.911 119.950 -0.584 0.000 2.368 113 F HA 0.231 4.760 4.527 0.002 0.000 0.362 113 F C 0.290 175.928 175.800 -0.269 0.000 1.137 113 F CA -0.819 56.973 58.000 -0.347 0.000 1.161 113 F CB 0.269 39.181 39.000 -0.147 0.000 1.265 113 F HN -0.025 nan 8.300 nan 0.000 0.530 114 Y N 4.133 124.185 120.300 -0.413 0.000 2.524 114 Y HA 0.445 4.997 4.550 0.002 0.000 0.266 114 Y C 1.112 176.741 175.900 -0.451 0.000 1.180 114 Y CA -0.514 57.384 58.100 -0.336 0.000 1.244 114 Y CB -0.896 37.487 38.460 -0.129 0.000 1.125 114 Y HN 0.566 nan 8.280 nan 0.000 0.524 115 A N 0.378 122.735 122.820 -0.771 0.000 2.454 115 A HA 0.509 4.830 4.320 0.002 0.000 0.260 115 A C 0.608 177.977 177.584 -0.358 0.000 1.106 115 A CA 0.635 52.358 52.037 -0.524 0.000 0.780 115 A CB 0.214 18.851 19.000 -0.604 0.000 1.044 115 A HN 0.236 nan 8.150 nan 0.000 0.498 116 T N 1.106 115.531 114.554 -0.214 0.000 2.671 116 T HA 0.637 4.989 4.350 0.002 0.000 0.300 116 T C -1.022 173.428 174.700 -0.415 0.000 1.238 116 T CA -0.209 61.776 62.100 -0.192 0.000 1.020 116 T CB 1.052 69.881 68.868 -0.064 0.000 1.503 116 T HN 1.167 nan 8.240 nan 0.000 0.497 117 N N -0.469 118.010 118.700 -0.369 0.000 2.972 117 N HA 0.419 5.160 4.740 0.002 0.000 0.262 117 N C -0.053 175.366 175.510 -0.153 0.000 1.478 117 N CA -0.610 52.148 53.050 -0.487 0.000 0.841 117 N CB 0.141 38.484 38.487 -0.241 0.000 1.512 117 N HN 0.352 nan 8.380 nan 0.000 0.548 118 D N -0.443 119.995 120.400 0.064 0.000 2.123 118 D HA -0.115 4.526 4.640 0.002 0.000 0.196 118 D C 1.126 177.604 176.300 0.297 0.000 0.992 118 D CA 1.872 56.095 54.000 0.372 0.000 0.833 118 D CB -0.499 40.643 40.800 0.569 0.000 0.954 118 D HN 0.660 nan 8.370 nan 0.000 0.455 119 T N 0.586 115.263 114.554 0.204 0.000 2.737 119 T HA -0.152 4.199 4.350 0.002 0.000 0.265 119 T C 1.843 176.607 174.700 0.107 0.000 1.038 119 T CA 1.319 63.517 62.100 0.163 0.000 1.144 119 T CB -0.073 68.850 68.868 0.092 0.000 0.866 119 T HN 0.277 nan 8.240 nan 0.000 0.434 120 E N 0.361 120.605 120.200 0.072 0.000 2.072 120 E HA -0.104 4.248 4.350 0.002 0.000 0.191 120 E C 2.212 178.855 176.600 0.072 0.000 0.985 120 E CA 0.787 57.222 56.400 0.060 0.000 0.801 120 E CB -0.044 29.677 29.700 0.035 0.000 0.750 120 E HN 0.221 nan 8.360 nan 0.000 0.452 121 V N 1.279 121.249 119.914 0.093 0.000 2.287 121 V HA -0.287 3.834 4.120 0.002 0.000 0.248 121 V C 2.451 178.572 176.094 0.044 0.000 1.053 121 V CA 1.925 64.269 62.300 0.073 0.000 1.027 121 V CB -0.761 31.147 31.823 0.142 0.000 0.646 121 V HN 0.455 nan 8.190 nan 0.000 0.447 122 A N -0.764 122.110 122.820 0.089 0.000 1.969 122 A HA -0.263 4.059 4.320 0.002 0.000 0.218 122 A C 2.153 179.797 177.584 0.100 0.000 1.169 122 A CA 2.006 54.085 52.037 0.070 0.000 0.635 122 A CB -0.472 18.564 19.000 0.060 0.000 0.810 122 A HN 0.531 nan 8.150 nan 0.000 0.445 123 Q N 0.095 119.956 119.800 0.101 0.000 2.079 123 Q HA -0.097 4.245 4.340 0.002 0.000 0.200 123 Q C 2.290 178.386 176.000 0.161 0.000 0.974 123 Q CA 2.064 57.952 55.803 0.141 0.000 0.840 123 Q CB -0.640 28.158 28.738 0.099 0.000 0.898 123 Q HN 0.538 nan 8.270 nan 0.000 0.430 124 S N -0.202 115.556 115.700 0.095 0.000 2.353 124 S HA -0.201 4.270 4.470 0.002 0.000 0.222 124 S C 1.660 176.294 174.600 0.056 0.000 1.035 124 S CA 1.821 60.059 58.200 0.063 0.000 1.025 124 S CB -0.463 62.758 63.200 0.036 0.000 0.902 124 S HN 0.645 nan 8.310 nan 0.000 0.440 125 N N -0.551 118.177 118.700 0.046 0.000 2.166 125 N HA -0.083 4.659 4.740 0.002 0.000 0.186 125 N C 1.544 177.100 175.510 0.077 0.000 1.019 125 N CA 1.417 54.483 53.050 0.027 0.000 0.856 125 N CB -0.296 38.184 38.487 -0.011 0.000 0.993 125 N HN 0.442 nan 8.380 nan 0.000 0.426 126 F N 2.274 122.223 119.950 -0.001 0.000 2.102 126 F HA -0.104 4.424 4.527 0.002 0.000 0.298 126 F C 2.014 177.839 175.800 0.043 0.000 1.105 126 F CA 1.420 59.432 58.000 0.021 0.000 1.239 126 F CB -0.142 38.869 39.000 0.018 0.000 0.991 126 F HN 0.014 nan 8.300 nan 0.000 0.474 127 E N -0.029 120.146 120.200 -0.042 0.000 2.204 127 E HA -0.133 4.218 4.350 0.002 0.000 0.194 127 E C 2.316 178.855 176.600 -0.103 0.000 0.989 127 E CA 0.772 57.103 56.400 -0.115 0.000 0.824 127 E CB -0.334 29.376 29.700 0.016 0.000 0.756 127 E HN 0.499 nan 8.360 nan 0.000 0.477 128 A N 1.187 123.975 122.820 -0.054 0.000 1.898 128 A HA -0.117 4.205 4.320 0.002 0.000 0.216 128 A C 2.154 179.701 177.584 -0.062 0.000 1.181 128 A CA 0.808 52.830 52.037 -0.027 0.000 0.620 128 A CB -0.510 18.491 19.000 0.001 0.000 0.819 128 A HN 0.141 nan 8.150 nan 0.000 0.442 129 L N -0.639 120.521 121.223 -0.105 0.000 2.083 129 L HA -0.256 4.085 4.340 0.002 0.000 0.209 129 L C 2.921 179.795 176.870 0.007 0.000 1.083 129 L CA 1.439 56.223 54.840 -0.094 0.000 0.752 129 L CB -0.464 41.575 42.059 -0.032 0.000 0.899 129 L HN 0.519 nan 8.230 nan 0.000 0.433 130 Q N -0.573 119.156 119.800 -0.118 0.000 2.084 130 Q HA -0.266 4.076 4.340 0.002 0.000 0.202 130 Q C 1.755 177.772 176.000 0.029 0.000 0.978 130 Q CA 1.858 57.631 55.803 -0.050 0.000 0.844 130 Q CB -0.153 28.455 28.738 -0.217 0.000 0.898 130 Q HN 0.410 nan 8.270 nan 0.000 0.426 131 D N -0.007 120.386 120.400 -0.011 0.000 2.144 131 D HA -0.148 4.493 4.640 0.002 0.000 0.200 131 D C 1.456 177.741 176.300 -0.024 0.000 0.978 131 D CA 0.613 54.615 54.000 0.004 0.000 0.833 131 D CB -0.101 40.716 40.800 0.027 0.000 0.961 131 D HN 0.177 nan 8.370 nan 0.000 0.470 132 F N -0.079 119.734 119.950 -0.229 0.000 2.134 132 F HA -0.138 4.390 4.527 0.002 0.000 0.299 132 F C 1.600 177.238 175.800 -0.270 0.000 1.097 132 F CA 1.201 58.975 58.000 -0.376 0.000 1.264 132 F CB -0.423 38.159 39.000 -0.696 0.000 1.001 132 F HN -0.110 nan 8.300 nan 0.000 0.479 133 F N 0.639 120.503 119.950 -0.143 0.000 2.502 133 F HA 0.054 4.582 4.527 0.002 0.000 0.298 133 F C 2.367 178.058 175.800 -0.182 0.000 1.111 133 F CA 0.863 58.746 58.000 -0.194 0.000 1.445 133 F CB -0.681 38.305 39.000 -0.024 0.000 1.081 133 F HN -0.106 nan 8.300 nan 0.000 0.558 134 R N -0.271 120.219 120.500 -0.017 0.000 2.093 134 R HA 0.011 4.352 4.340 0.002 0.000 0.224 134 R C 2.046 178.265 176.300 -0.134 0.000 1.101 134 R CA 0.884 56.957 56.100 -0.045 0.000 0.979 134 R CB -0.303 29.983 30.300 -0.024 0.000 0.877 134 R HN 0.298 nan 8.270 nan 0.000 0.441 135 L N -0.822 120.272 121.223 -0.215 0.000 2.131 135 L HA 0.012 4.353 4.340 0.002 0.000 0.206 135 L C 0.346 176.817 176.870 -0.665 0.000 1.087 135 L CA 0.858 55.471 54.840 -0.378 0.000 0.767 135 L CB 0.144 42.003 42.059 -0.333 0.000 0.917 135 L HN 0.068 nan 8.230 nan 0.000 0.441 136 F N -0.054 119.525 119.950 -0.619 0.000 2.530 136 F HA 0.292 4.820 4.527 0.002 0.000 0.318 136 F C -1.459 174.121 175.800 -0.366 0.000 1.356 136 F CA -2.007 55.633 58.000 -0.601 0.000 1.135 136 F CB 0.111 38.538 39.000 -0.956 0.000 1.315 136 F HN -0.142 nan 8.300 nan 0.000 0.549 137 P HA -0.245 nan 4.420 nan 0.000 0.219 137 P C 1.261 178.540 177.300 -0.035 0.000 1.146 137 P CA 1.574 64.655 63.100 -0.032 0.000 0.808 137 P CB 0.230 31.891 31.700 -0.066 0.000 0.779 138 E N -0.534 119.578 120.200 -0.148 0.000 2.265 138 E HA -0.193 4.159 4.350 0.002 0.000 0.196 138 E C 0.999 177.492 176.600 -0.179 0.000 0.996 138 E CA 1.148 57.419 56.400 -0.215 0.000 0.832 138 E CB -1.075 28.410 29.700 -0.359 0.000 0.756 138 E HN 0.313 nan 8.360 nan 0.000 0.491 139 Y N 1.297 121.705 120.300 0.181 0.000 2.461 139 Y HA 0.251 4.802 4.550 0.002 0.000 0.277 139 Y C 1.884 177.983 175.900 0.332 0.000 1.182 139 Y CA -0.473 57.794 58.100 0.278 0.000 1.276 139 Y CB 0.190 38.837 38.460 0.311 0.000 1.087 139 Y HN -0.037 nan 8.280 nan 0.000 0.519 140 K N 0.208 120.772 120.400 0.272 0.000 2.097 140 K HA -0.170 4.151 4.320 0.002 0.000 0.206 140 K C 1.023 177.589 176.600 -0.057 0.000 1.049 140 K CA 1.767 58.042 56.287 -0.021 0.000 0.933 140 K CB -0.168 32.284 32.500 -0.081 0.000 0.717 140 K HN 0.464 nan 8.250 nan 0.000 0.442 141 N N 0.298 119.023 118.700 0.043 0.000 2.353 141 N HA -0.010 4.731 4.740 0.002 0.000 0.185 141 N C -0.496 175.060 175.510 0.077 0.000 1.098 141 N CA -0.303 52.765 53.050 0.030 0.000 0.872 141 N CB 0.175 38.681 38.487 0.031 0.000 0.970 141 N HN 0.105 nan 8.380 nan 0.000 0.467 142 N N 1.705 120.505 118.700 0.166 0.000 2.492 142 N HA 0.027 4.769 4.740 0.002 0.000 0.260 142 N C -0.484 175.110 175.510 0.140 0.000 1.215 142 N CA 0.171 53.342 53.050 0.201 0.000 0.923 142 N CB 0.592 39.281 38.487 0.335 0.000 1.092 142 N HN 0.051 nan 8.380 nan 0.000 0.448 143 K N 1.213 121.676 120.400 0.106 0.000 2.484 143 K HA 0.044 4.365 4.320 0.002 0.000 0.280 143 K C -0.465 176.147 176.600 0.021 0.000 1.013 143 K CA -0.193 56.099 56.287 0.007 0.000 1.029 143 K CB 0.352 32.862 32.500 0.017 0.000 0.902 143 K HN 0.311 nan 8.250 nan 0.000 0.481 144 L N 3.820 124.977 121.223 -0.111 0.000 2.309 144 L HA 0.501 4.843 4.340 0.002 0.000 0.282 144 L C -1.369 175.342 176.870 -0.264 0.000 1.036 144 L CA -0.148 54.685 54.840 -0.012 0.000 0.806 144 L CB 0.571 42.682 42.059 0.087 0.000 1.220 144 L HN 0.424 nan 8.230 nan 0.000 0.429 145 F N 4.879 124.897 119.950 0.114 0.000 2.556 145 F HA 0.558 5.087 4.527 0.002 0.000 0.314 145 F C -0.718 175.175 175.800 0.156 0.000 1.106 145 F CA -0.520 57.574 58.000 0.156 0.000 0.911 145 F CB 1.850 40.976 39.000 0.210 0.000 1.190 145 F HN 0.202 nan 8.300 nan 0.000 0.448 146 L N 3.526 124.929 121.223 0.300 0.000 2.298 146 L HA 0.645 4.987 4.340 0.002 0.000 0.284 146 L C -0.205 176.795 176.870 0.216 0.000 1.013 146 L CA -0.502 54.447 54.840 0.181 0.000 0.824 146 L CB 1.502 43.599 42.059 0.063 0.000 1.221 146 L HN 0.707 nan 8.230 nan 0.000 0.418 147 T N -0.362 114.315 114.554 0.205 0.000 2.907 147 T HA 0.947 5.299 4.350 0.002 0.000 0.292 147 T C -0.172 174.433 174.700 -0.159 0.000 1.043 147 T CA -0.580 61.647 62.100 0.212 0.000 1.003 147 T CB 2.602 71.815 68.868 0.576 0.000 1.084 147 T HN 0.749 nan 8.240 nan 0.000 0.483 148 G N 0.171 108.713 108.800 -0.430 0.000 2.488 148 G HA2 0.588 4.549 3.960 0.002 0.000 0.301 148 G HA3 0.588 4.549 3.960 0.002 0.000 0.301 148 G C -2.017 172.403 174.900 -0.800 0.000 1.339 148 G CA -0.725 43.767 45.100 -1.013 0.000 0.803 148 G HN 1.008 nan 8.290 nan 0.000 0.482 149 E N -0.951 118.835 120.200 -0.690 0.000 2.390 149 E HA 0.566 4.918 4.350 0.002 0.000 0.277 149 E C 0.295 176.671 176.600 -0.373 0.000 0.939 149 E CA 0.272 56.411 56.400 -0.435 0.000 0.769 149 E CB 2.053 31.620 29.700 -0.221 0.000 1.251 149 E HN 1.454 nan 8.360 nan 0.000 0.450 150 S N 1.282 116.741 115.700 -0.402 0.000 4.118 150 S HA -0.357 4.115 4.470 0.002 0.000 0.624 150 S C 0.799 175.246 174.600 -0.255 0.000 1.929 150 S CA 1.137 59.185 58.200 -0.253 0.000 4.219 150 S CB -1.627 61.522 63.200 -0.085 0.000 0.206 150 S HN 0.823 nan 8.310 nan 0.000 0.525 151 Y N 2.313 122.417 120.300 -0.326 0.000 2.483 151 Y HA 0.248 4.799 4.550 0.002 0.000 0.291 151 Y C 2.232 177.722 175.900 -0.683 0.000 1.143 151 Y CA 1.855 59.654 58.100 -0.502 0.000 1.289 151 Y CB -0.673 37.431 38.460 -0.593 0.000 0.983 151 Y HN 0.591 nan 8.280 nan 0.000 0.556 152 A N -0.473 122.064 122.820 -0.473 0.000 2.264 152 A HA 0.039 4.361 4.320 0.002 0.000 0.207 152 A C 2.295 179.674 177.584 -0.341 0.000 1.196 152 A CA 0.998 52.840 52.037 -0.325 0.000 0.778 152 A CB -1.338 17.532 19.000 -0.217 0.000 0.779 152 A HN 0.530 nan 8.150 nan 0.000 0.483 153 G N -0.444 108.088 108.800 -0.447 0.000 2.511 153 G HA2 0.027 3.989 3.960 0.002 0.000 0.217 153 G HA3 0.027 3.989 3.960 0.002 0.000 0.217 153 G C 1.228 175.887 174.900 -0.400 0.000 1.133 153 G CA 0.857 45.728 45.100 -0.381 0.000 0.792 153 G HN 0.437 nan 8.290 nan 0.000 0.539 154 I N -0.693 119.543 120.570 -0.557 0.000 2.729 154 I HA 0.106 4.278 4.170 0.002 0.000 0.256 154 I C 2.231 178.220 176.117 -0.213 0.000 1.115 154 I CA 0.294 61.316 61.300 -0.462 0.000 1.446 154 I CB -1.011 36.581 38.000 -0.680 0.000 1.176 154 I HN 0.047 nan 8.210 nan 0.000 0.446 155 Y N 1.599 121.770 120.300 -0.214 0.000 2.114 155 Y HA -0.223 4.329 4.550 0.003 0.000 0.282 155 Y C 2.720 178.534 175.900 -0.143 0.000 1.165 155 Y CA 0.942 58.983 58.100 -0.097 0.000 1.148 155 Y CB -1.001 37.426 38.460 -0.054 0.000 0.972 155 Y HN 0.042 nan 8.280 nan 0.000 0.504 156 I N 0.085 120.648 120.570 -0.011 0.000 2.142 156 I HA -0.183 3.989 4.170 0.002 0.000 0.240 156 I C -0.400 175.622 176.117 -0.158 0.000 1.078 156 I CA 1.509 62.760 61.300 -0.082 0.000 1.343 156 I CB -2.410 35.532 38.000 -0.098 0.000 1.046 156 I HN 0.125 nan 8.210 nan 0.000 0.405 157 P HA -0.086 nan 4.420 nan 0.000 0.219 157 P C 1.712 178.819 177.300 -0.321 0.000 1.150 157 P CA 1.725 64.573 63.100 -0.420 0.000 0.814 157 P CB -0.227 31.037 31.700 -0.725 0.000 0.787 158 T N -2.313 112.077 114.554 -0.273 0.000 2.857 158 T HA -0.114 4.237 4.350 0.002 0.000 0.266 158 T C 1.728 176.345 174.700 -0.139 0.000 1.048 158 T CA 0.796 62.753 62.100 -0.239 0.000 1.139 158 T CB -1.220 67.501 68.868 -0.245 0.000 0.874 158 T HN -0.045 nan 8.240 nan 0.000 0.455 159 L N 1.874 123.042 121.223 -0.091 0.000 2.056 159 L HA 0.355 4.696 4.340 0.002 0.000 0.207 159 L C 2.807 179.634 176.870 -0.071 0.000 1.078 159 L CA 1.701 56.518 54.840 -0.039 0.000 0.749 159 L CB -1.270 40.790 42.059 0.003 0.000 0.901 159 L HN 0.320 nan 8.230 nan 0.000 0.433 160 A N -0.911 121.834 122.820 -0.124 0.000 1.940 160 A HA -0.150 4.171 4.320 0.002 0.000 0.219 160 A C 2.261 179.729 177.584 -0.193 0.000 1.176 160 A CA 1.949 53.881 52.037 -0.174 0.000 0.631 160 A CB -1.129 17.734 19.000 -0.228 0.000 0.814 160 A HN 0.323 nan 8.150 nan 0.000 0.446 161 V N 0.099 119.904 119.914 -0.181 0.000 2.515 161 V HA -0.221 3.900 4.120 0.002 0.000 0.250 161 V C 2.487 178.476 176.094 -0.175 0.000 1.058 161 V CA 1.708 63.914 62.300 -0.155 0.000 1.064 161 V CB -0.599 31.140 31.823 -0.140 0.000 0.675 161 V HN 0.559 nan 8.190 nan 0.000 0.461 162 L N -0.823 120.262 121.223 -0.230 0.000 2.044 162 L HA -0.090 4.251 4.340 0.002 0.000 0.205 162 L C 2.495 179.095 176.870 -0.451 0.000 1.075 162 L CA 1.075 55.648 54.840 -0.446 0.000 0.747 162 L CB -0.663 41.022 42.059 -0.624 0.000 0.903 162 L HN 0.180 nan 8.230 nan 0.000 0.435 163 V N -0.022 119.795 119.914 -0.162 0.000 2.392 163 V HA -0.356 3.765 4.120 0.002 0.000 0.249 163 V C 2.482 178.575 176.094 -0.001 0.000 1.059 163 V CA 1.882 64.239 62.300 0.095 0.000 1.051 163 V CB -0.422 31.459 31.823 0.097 0.000 0.658 163 V HN 0.463 nan 8.190 nan 0.000 0.455 164 M N -0.488 119.056 119.600 -0.094 0.000 2.213 164 M HA -0.257 4.225 4.480 0.002 0.000 0.263 164 M C 2.103 178.410 176.300 0.012 0.000 1.062 164 M CA 1.792 57.067 55.300 -0.043 0.000 1.105 164 M CB -0.093 32.482 32.600 -0.043 0.000 1.385 164 M HN 0.393 nan 8.290 nan 0.000 0.417 165 Q N -0.588 119.185 119.800 -0.044 0.000 2.432 165 Q HA -0.034 4.307 4.340 0.002 0.000 0.205 165 Q C -0.157 175.849 176.000 0.010 0.000 0.945 165 Q CA 0.235 56.016 55.803 -0.037 0.000 0.924 165 Q CB 0.164 28.843 28.738 -0.098 0.000 1.016 165 Q HN 0.305 nan 8.270 nan 0.000 0.503 166 D N 1.032 121.471 120.400 0.065 0.000 2.443 166 D HA 0.081 4.723 4.640 0.002 0.000 0.221 166 D C -1.686 174.658 176.300 0.073 0.000 1.097 166 D CA -2.372 51.708 54.000 0.133 0.000 0.865 166 D CB 1.325 42.323 40.800 0.330 0.000 1.034 166 D HN -0.056 nan 8.370 nan 0.000 0.511 167 P HA -0.149 nan 4.420 nan 0.000 0.223 167 P C 1.054 178.345 177.300 -0.015 0.000 1.144 167 P CA 0.652 63.761 63.100 0.015 0.000 0.783 167 P CB 0.209 31.915 31.700 0.011 0.000 0.771 168 S N -1.637 114.048 115.700 -0.025 0.000 2.489 168 S HA 0.032 4.504 4.470 0.002 0.000 0.228 168 S C 1.138 175.631 174.600 -0.179 0.000 0.995 168 S CA 0.061 58.211 58.200 -0.085 0.000 0.934 168 S CB -0.797 62.357 63.200 -0.076 0.000 0.771 168 S HN 0.074 nan 8.310 nan 0.000 0.522 169 M N 2.760 122.278 119.600 -0.136 0.000 2.157 169 M HA 0.310 4.791 4.480 0.002 0.000 0.354 169 M C -0.003 176.229 176.300 -0.114 0.000 1.170 169 M CA -0.398 54.778 55.300 -0.207 0.000 1.060 169 M CB 0.864 33.424 32.600 -0.067 0.000 1.615 169 M HN -0.001 nan 8.290 nan 0.000 0.460 170 N N 3.769 122.386 118.700 -0.138 0.000 3.091 170 N HA 0.119 4.861 4.740 0.002 0.000 0.301 170 N C -1.044 174.423 175.510 -0.072 0.000 1.325 170 N CA -0.278 52.728 53.050 -0.073 0.000 1.143 170 N CB -0.218 38.230 38.487 -0.065 0.000 1.450 170 N HN 0.541 nan 8.380 nan 0.000 0.542 171 L N 0.908 122.101 121.223 -0.050 0.000 2.559 171 L HA 0.008 4.350 4.340 0.002 0.000 0.274 171 L C 1.012 177.855 176.870 -0.045 0.000 1.205 171 L CA 0.975 55.747 54.840 -0.114 0.000 0.907 171 L CB 0.767 42.693 42.059 -0.222 0.000 1.153 171 L HN 0.345 nan 8.230 nan 0.000 0.490 172 Q N 3.750 123.361 119.800 -0.315 0.000 2.288 172 Q HA 0.440 4.782 4.340 0.002 0.000 0.256 172 Q C 0.378 176.247 176.000 -0.220 0.000 0.835 172 Q CA 0.638 56.245 55.803 -0.326 0.000 0.958 172 Q CB 1.429 29.749 28.738 -0.697 0.000 1.125 172 Q HN 0.856 nan 8.270 nan 0.000 0.513 173 G N 0.732 109.352 108.800 -0.300 0.000 2.451 173 G HA2 0.519 4.481 3.960 0.002 0.000 0.292 173 G HA3 0.519 4.481 3.960 0.002 0.000 0.292 173 G C -1.932 173.225 174.900 0.429 0.000 1.427 173 G CA -0.728 44.526 45.100 0.255 0.000 0.792 173 G HN 0.057 nan 8.290 nan 0.000 0.498 174 L N -2.703 118.855 121.223 0.557 0.000 2.424 174 L HA 1.025 5.366 4.340 0.002 0.000 0.258 174 L C -0.343 176.733 176.870 0.343 0.000 0.995 174 L CA -1.319 53.769 54.840 0.413 0.000 0.821 174 L CB 2.151 44.315 42.059 0.176 0.000 1.383 174 L HN 1.401 nan 8.230 nan 0.000 0.410 175 A N 1.772 124.700 122.820 0.181 0.000 2.427 175 A HA 0.836 5.158 4.320 0.002 0.000 0.298 175 A C -1.304 176.307 177.584 0.046 0.000 1.036 175 A CA -0.578 51.454 52.037 -0.008 0.000 0.701 175 A CB 2.088 20.913 19.000 -0.290 0.000 1.250 175 A HN 0.524 nan 8.150 nan 0.000 0.412 176 V N 1.645 121.498 119.914 -0.102 0.000 2.487 176 V HA 0.730 4.851 4.120 0.002 0.000 0.298 176 V C 0.633 176.271 176.094 -0.761 0.000 1.028 176 V CA -0.109 62.021 62.300 -0.284 0.000 0.860 176 V CB 2.023 33.748 31.823 -0.163 0.000 0.991 176 V HN 1.245 nan 8.190 nan 0.000 0.427 177 G N 2.181 110.460 108.800 -0.869 0.000 2.368 177 G HA2 0.490 4.451 3.960 0.002 0.000 0.320 177 G HA3 0.490 4.451 3.960 0.002 0.000 0.320 177 G C 0.030 174.582 174.900 -0.579 0.000 1.158 177 G CA -0.602 43.777 45.100 -1.202 0.000 0.912 177 G HN 0.852 nan 8.290 nan 0.000 0.456 178 N N -0.090 118.354 118.700 -0.427 0.000 2.698 178 N HA -0.152 4.590 4.740 0.002 0.000 0.258 178 N C 0.802 176.128 175.510 -0.307 0.000 0.978 178 N CA 1.124 54.005 53.050 -0.281 0.000 0.777 178 N CB -0.503 37.795 38.487 -0.314 0.000 0.907 178 N HN 0.878 nan 8.380 nan 0.000 0.543 179 G N -0.435 108.181 108.800 -0.308 0.000 2.420 179 G HA2 0.446 4.408 3.960 0.002 0.000 0.284 179 G HA3 0.446 4.408 3.960 0.002 0.000 0.284 179 G C 0.015 174.714 174.900 -0.335 0.000 1.177 179 G CA -0.705 44.200 45.100 -0.326 0.000 0.841 179 G HN 0.303 nan 8.290 nan 0.000 0.527 180 L N 2.452 123.437 121.223 -0.396 0.000 2.399 180 L HA 0.298 4.639 4.340 0.002 0.000 0.257 180 L C 1.412 177.950 176.870 -0.553 0.000 1.236 180 L CA 0.059 54.612 54.840 -0.478 0.000 1.144 180 L CB 0.020 41.758 42.059 -0.536 0.000 1.379 180 L HN 0.374 nan 8.230 nan 0.000 0.414 181 S N 0.396 115.754 115.700 -0.570 0.000 2.461 181 S HA 0.080 4.551 4.470 0.002 0.000 0.228 181 S C 0.711 174.955 174.600 -0.593 0.000 1.005 181 S CA 0.623 58.357 58.200 -0.777 0.000 0.942 181 S CB -0.082 62.198 63.200 -1.534 0.000 0.776 181 S HN 0.640 nan 8.310 nan 0.000 0.514 182 S N -0.538 114.919 115.700 -0.405 0.000 2.616 182 S HA 0.420 4.891 4.470 0.002 0.000 0.276 182 S C -0.106 174.400 174.600 -0.155 0.000 1.159 182 S CA -0.681 57.433 58.200 -0.144 0.000 1.000 182 S CB 0.198 63.430 63.200 0.053 0.000 1.117 182 S HN 0.179 nan 8.310 nan 0.000 0.464 183 Y N 2.720 122.958 120.300 -0.102 0.000 2.145 183 Y HA -0.096 4.455 4.550 0.002 0.000 0.286 183 Y C 2.408 178.157 175.900 -0.251 0.000 1.145 183 Y CA 2.036 60.093 58.100 -0.072 0.000 1.148 183 Y CB -0.160 38.364 38.460 0.108 0.000 0.981 183 Y HN 0.843 nan 8.280 nan 0.000 0.507 184 E N 0.217 120.125 120.200 -0.487 0.000 2.051 184 E HA -0.265 4.087 4.350 0.002 0.000 0.192 184 E C 2.054 178.567 176.600 -0.145 0.000 0.991 184 E CA 1.547 57.451 56.400 -0.826 0.000 0.799 184 E CB -0.137 29.065 29.700 -0.831 0.000 0.748 184 E HN 0.525 nan 8.360 nan 0.000 0.449 185 Q N -0.219 119.570 119.800 -0.018 0.000 2.224 185 Q HA -0.140 4.201 4.340 0.002 0.000 0.203 185 Q C 1.822 177.866 176.000 0.073 0.000 0.970 185 Q CA 1.140 57.044 55.803 0.168 0.000 0.865 185 Q CB -0.015 28.865 28.738 0.236 0.000 0.922 185 Q HN 0.210 nan 8.270 nan 0.000 0.445 186 N N 0.642 119.314 118.700 -0.047 0.000 2.135 186 N HA -0.140 4.601 4.740 0.002 0.000 0.186 186 N C 1.039 176.490 175.510 -0.098 0.000 1.027 186 N CA 1.407 54.377 53.050 -0.133 0.000 0.849 186 N CB 0.038 38.404 38.487 -0.202 0.000 1.002 186 N HN 0.078 nan 8.380 nan 0.000 0.425 187 D N -0.056 120.330 120.400 -0.023 0.000 2.117 187 D HA -0.079 4.562 4.640 0.002 0.000 0.197 187 D C 1.479 177.966 176.300 0.310 0.000 0.987 187 D CA 0.814 54.820 54.000 0.009 0.000 0.829 187 D CB -0.381 40.561 40.800 0.236 0.000 0.961 187 D HN 0.298 nan 8.370 nan 0.000 0.460 188 N N 0.146 119.108 118.700 0.437 0.000 2.142 188 N HA -0.102 4.640 4.740 0.002 0.000 0.186 188 N C 1.849 177.830 175.510 0.785 0.000 1.023 188 N CA 1.263 54.751 53.050 0.730 0.000 0.852 188 N CB -0.325 38.576 38.487 0.690 0.000 0.998 188 N HN 0.190 nan 8.380 nan 0.000 0.424 189 S N 0.549 116.480 115.700 0.384 0.000 2.428 189 S HA -0.020 4.451 4.470 0.002 0.000 0.230 189 S C 1.946 176.650 174.600 0.174 0.000 1.014 189 S CA 0.272 58.473 58.200 0.001 0.000 0.957 189 S CB -0.385 62.272 63.200 -0.905 0.000 0.784 189 S HN 0.166 nan 8.310 nan 0.000 0.499 190 L N 1.949 123.249 121.223 0.128 0.000 2.141 190 L HA 0.114 4.455 4.340 0.002 0.000 0.209 190 L C 2.329 179.372 176.870 0.287 0.000 1.094 190 L CA 1.242 56.146 54.840 0.106 0.000 0.763 190 L CB -0.633 41.387 42.059 -0.064 0.000 0.908 190 L HN 0.218 nan 8.230 nan 0.000 0.437 191 V N -1.205 118.890 119.914 0.300 0.000 2.358 191 V HA -0.288 3.834 4.120 0.002 0.000 0.246 191 V C 2.249 178.484 176.094 0.234 0.000 1.047 191 V CA 1.722 64.096 62.300 0.124 0.000 1.035 191 V CB -0.909 30.658 31.823 -0.427 0.000 0.658 191 V HN 0.389 nan 8.190 nan 0.000 0.452 192 Y N -0.794 119.786 120.300 0.466 0.000 2.145 192 Y HA -0.247 4.305 4.550 0.003 0.000 0.286 192 Y C 2.299 178.481 175.900 0.469 0.000 1.145 192 Y CA 2.197 60.641 58.100 0.574 0.000 1.148 192 Y CB -0.709 38.114 38.460 0.606 0.000 0.981 192 Y HN 0.222 nan 8.280 nan 0.000 0.507 193 F N 0.222 120.408 119.950 0.394 0.000 2.065 193 F HA -0.317 4.211 4.527 0.002 0.000 0.298 193 F C 2.386 178.352 175.800 0.276 0.000 1.112 193 F CA 1.521 59.703 58.000 0.304 0.000 1.212 193 F CB -0.804 38.227 39.000 0.051 0.000 0.975 193 F HN 0.005 nan 8.300 nan 0.000 0.476 194 A N -0.612 122.487 122.820 0.465 0.000 1.892 194 A HA -0.299 4.022 4.320 0.002 0.000 0.218 194 A C 2.136 179.795 177.584 0.124 0.000 1.188 194 A CA 2.004 54.215 52.037 0.291 0.000 0.631 194 A CB -1.727 17.405 19.000 0.221 0.000 0.822 194 A HN 0.622 nan 8.150 nan 0.000 0.447 195 Y N -0.878 119.329 120.300 -0.155 0.000 2.109 195 Y HA -0.218 4.334 4.550 0.003 0.000 0.285 195 Y C 2.102 177.672 175.900 -0.551 0.000 1.131 195 Y CA 1.783 59.563 58.100 -0.533 0.000 1.121 195 Y CB -0.744 36.928 38.460 -1.313 0.000 0.987 195 Y HN 0.376 nan 8.280 nan 0.000 0.495 196 Y N -0.798 119.312 120.300 -0.316 0.000 2.639 196 Y HA -0.152 4.400 4.550 0.002 0.000 0.297 196 Y C 2.014 177.654 175.900 -0.434 0.000 1.151 196 Y CA 1.474 59.339 58.100 -0.392 0.000 1.335 196 Y CB -0.419 37.925 38.460 -0.194 0.000 0.994 196 Y HN 0.348 nan 8.280 nan 0.000 0.548 197 H N -1.638 117.301 119.070 -0.219 0.000 2.586 197 H HA 0.271 4.829 4.556 0.002 0.000 0.273 197 H C 1.559 176.825 175.328 -0.103 0.000 0.997 197 H CA 0.658 56.609 56.048 -0.162 0.000 1.177 197 H CB 0.603 30.212 29.762 -0.255 0.000 1.471 197 H HN 0.363 nan 8.280 nan 0.000 0.538 198 G N 1.571 110.290 108.800 -0.136 0.000 2.142 198 G HA2 -0.230 3.731 3.960 0.002 0.000 0.225 198 G HA3 -0.230 3.731 3.960 0.002 0.000 0.225 198 G C 0.835 175.706 174.900 -0.048 0.000 1.015 198 G CA 0.339 45.357 45.100 -0.136 0.000 0.716 198 G HN 0.371 nan 8.290 nan 0.000 0.508 199 L N -1.200 120.017 121.223 -0.010 0.000 2.513 199 L HA 0.391 4.733 4.340 0.002 0.000 0.222 199 L C 2.567 179.461 176.870 0.040 0.000 1.096 199 L CA 0.185 55.046 54.840 0.034 0.000 0.857 199 L CB -0.165 41.939 42.059 0.075 0.000 1.026 199 L HN 0.285 nan 8.230 nan 0.000 0.469 200 L N -0.421 120.831 121.223 0.049 0.000 2.347 200 L HA 0.436 4.777 4.340 0.002 0.000 0.196 200 L C 0.936 177.886 176.870 0.132 0.000 1.072 200 L CA 0.563 55.472 54.840 0.116 0.000 0.817 200 L CB -0.359 41.823 42.059 0.204 0.000 1.029 200 L HN 0.305 nan 8.230 nan 0.000 0.478 201 G N 0.397 109.297 108.800 0.166 0.000 2.675 201 G HA2 -0.236 3.726 3.960 0.002 0.000 0.686 201 G HA3 -0.236 3.726 3.960 0.002 0.000 0.686 201 G C -0.054 175.027 174.900 0.302 0.000 1.215 201 G CA -0.112 45.088 45.100 0.166 0.000 0.777 201 G HN 0.142 nan 8.290 nan 0.000 0.638 202 N N 0.027 118.886 118.700 0.264 0.000 2.409 202 N HA -0.065 4.677 4.740 0.002 0.000 0.179 202 N C 2.284 177.887 175.510 0.156 0.000 1.032 202 N CA 1.261 54.459 53.050 0.247 0.000 0.898 202 N CB -0.098 38.519 38.487 0.218 0.000 0.971 202 N HN 0.682 nan 8.380 nan 0.000 0.441 203 R N 0.264 120.833 120.500 0.114 0.000 2.081 203 R HA -0.106 4.235 4.340 0.002 0.000 0.235 203 R C 2.103 178.443 176.300 0.067 0.000 1.131 203 R CA 1.041 57.185 56.100 0.073 0.000 0.960 203 R CB -0.251 30.084 30.300 0.057 0.000 0.856 203 R HN 0.128 nan 8.270 nan 0.000 0.436 204 L N 0.119 121.397 121.223 0.092 0.000 2.131 204 L HA -0.094 4.247 4.340 0.002 0.000 0.206 204 L C 1.910 178.832 176.870 0.088 0.000 1.087 204 L CA 1.545 56.432 54.840 0.078 0.000 0.767 204 L CB -0.783 41.326 42.059 0.083 0.000 0.917 204 L HN 0.358 nan 8.230 nan 0.000 0.441 205 W N -0.330 120.869 121.300 -0.168 0.000 2.363 205 W HA -0.217 4.445 4.660 0.002 0.000 0.296 205 W C 2.126 178.497 176.519 -0.247 0.000 1.212 205 W CA 1.303 58.433 57.345 -0.358 0.000 1.260 205 W CB 0.035 28.982 29.460 -0.855 0.000 1.131 205 W HN 0.220 nan 8.180 nan 0.000 0.530 206 S N 0.061 115.710 115.700 -0.084 0.000 2.355 206 S HA -0.222 4.250 4.470 0.002 0.000 0.222 206 S C 1.918 176.390 174.600 -0.214 0.000 1.031 206 S CA 1.584 59.684 58.200 -0.166 0.000 0.993 206 S CB -0.767 62.400 63.200 -0.054 0.000 0.859 206 S HN 0.265 nan 8.310 nan 0.000 0.453 207 S N 1.074 116.700 115.700 -0.124 0.000 2.383 207 S HA -0.020 4.452 4.470 0.002 0.000 0.229 207 S C 1.763 176.307 174.600 -0.093 0.000 1.030 207 S CA 0.943 59.090 58.200 -0.088 0.000 1.002 207 S CB -0.433 62.795 63.200 0.048 0.000 0.829 207 S HN 0.379 nan 8.310 nan 0.000 0.467 208 L N 0.935 122.075 121.223 -0.138 0.000 2.027 208 L HA -0.089 4.253 4.340 0.002 0.000 0.206 208 L C 2.954 179.716 176.870 -0.179 0.000 1.074 208 L CA 1.122 55.894 54.840 -0.115 0.000 0.745 208 L CB -0.516 41.391 42.059 -0.254 0.000 0.898 208 L HN 0.280 nan 8.230 nan 0.000 0.433 209 Q N -0.606 118.928 119.800 -0.443 0.000 2.170 209 Q HA -0.168 4.173 4.340 0.002 0.000 0.203 209 Q C 2.216 178.051 176.000 -0.275 0.000 0.976 209 Q CA 1.912 57.462 55.803 -0.421 0.000 0.858 209 Q CB -0.435 27.965 28.738 -0.564 0.000 0.907 209 Q HN 0.481 nan 8.270 nan 0.000 0.433 210 T N -0.353 114.011 114.554 -0.316 0.000 2.812 210 T HA -0.094 4.257 4.350 0.002 0.000 0.264 210 T C 1.223 175.718 174.700 -0.341 0.000 1.042 210 T CA 1.316 63.197 62.100 -0.365 0.000 1.140 210 T CB -0.125 68.436 68.868 -0.511 0.000 0.870 210 T HN 0.477 nan 8.240 nan 0.000 0.445 211 H N -1.446 117.584 119.070 -0.067 0.000 2.595 211 H HA 0.253 4.810 4.556 0.001 0.000 0.265 211 H C 1.661 176.966 175.328 -0.038 0.000 0.953 211 H CA 0.259 56.280 56.048 -0.044 0.000 1.197 211 H CB 0.242 29.986 29.762 -0.031 0.000 1.438 211 H HN 0.330 nan 8.280 nan 0.000 0.531 212 c N -0.252 118.376 118.600 0.046 0.000 3.392 212 c HA 0.353 4.925 4.570 0.002 0.000 0.301 212 c C 0.495 174.492 174.090 -0.155 0.000 1.354 212 c CA -0.707 55.617 56.329 -0.010 0.000 1.732 212 c CB -0.518 42.054 42.510 0.103 0.000 2.269 212 c HN 0.445 nan 8.230 nan 0.000 0.673 213 c N 1.309 119.817 118.600 -0.152 0.000 2.562 213 c HA 0.792 5.363 4.570 0.002 0.000 0.332 213 c C -0.064 173.962 174.090 -0.106 0.000 1.201 213 c CA -0.242 55.984 56.329 -0.173 0.000 1.803 213 c CB 1.133 43.527 42.510 -0.194 0.000 2.328 213 c HN 0.499 nan 8.230 nan 0.000 0.500 214 S N 0.412 116.060 115.700 -0.086 0.000 2.653 214 S HA 0.566 5.038 4.470 0.002 0.000 0.268 214 S C -0.134 174.438 174.600 -0.047 0.000 1.153 214 S CA 0.347 58.513 58.200 -0.058 0.000 1.036 214 S CB 1.047 64.218 63.200 -0.048 0.000 1.103 214 S HN 1.568 nan 8.310 nan 0.000 0.466 215 Q N 1.880 121.659 119.800 -0.036 0.000 2.493 215 Q HA -0.223 4.118 4.340 0.002 0.000 0.278 215 Q C 0.295 176.284 176.000 -0.019 0.000 1.216 215 Q CA 1.262 57.050 55.803 -0.025 0.000 0.875 215 Q CB -2.818 25.905 28.738 -0.025 0.000 1.262 215 Q HN 1.216 nan 8.270 nan 0.000 0.468 216 N N -3.049 115.644 118.700 -0.011 0.000 2.780 216 N HA -0.161 4.580 4.740 0.002 0.000 0.248 216 N C -0.053 175.449 175.510 -0.013 0.000 1.102 216 N CA 1.729 54.784 53.050 0.010 0.000 0.697 216 N CB -1.396 37.101 38.487 0.017 0.000 1.028 216 N HN 1.926 nan 8.380 nan 0.000 0.554 217 K N -0.007 120.374 120.400 -0.030 0.000 2.259 217 K HA 0.680 5.001 4.320 0.002 0.000 0.252 217 K C -0.273 176.269 176.600 -0.097 0.000 0.936 217 K CA -0.108 56.149 56.287 -0.051 0.000 0.810 217 K CB 1.423 33.882 32.500 -0.067 0.000 1.143 217 K HN 0.302 nan 8.250 nan 0.000 0.427 218 c N 1.666 120.183 118.600 -0.137 0.000 2.435 218 c HA 0.618 5.189 4.570 0.002 0.000 0.333 218 c C 0.167 174.003 174.090 -0.423 0.000 1.202 218 c CA -0.852 55.229 56.329 -0.414 0.000 1.830 218 c CB 0.924 42.936 42.510 -0.830 0.000 2.326 218 c HN 0.985 nan 8.230 nan 0.000 0.507 219 N N 1.294 119.722 118.700 -0.453 0.000 2.626 219 N HA 0.332 5.074 4.740 0.002 0.000 0.249 219 N C -0.793 174.655 175.510 -0.103 0.000 1.021 219 N CA -0.283 52.662 53.050 -0.174 0.000 0.886 219 N CB 0.431 38.901 38.487 -0.028 0.000 1.149 219 N HN 0.586 nan 8.380 nan 0.000 0.517 220 F N 2.168 122.263 119.950 0.242 0.000 2.664 220 F HA 0.169 4.697 4.527 0.001 0.000 0.303 220 F C 1.082 177.107 175.800 0.374 0.000 1.092 220 F CA -0.382 57.776 58.000 0.263 0.000 1.305 220 F CB -0.436 38.743 39.000 0.298 0.000 1.054 220 F HN 0.526 nan 8.300 nan 0.000 0.565 221 Y N 1.964 122.455 120.300 0.318 0.000 2.254 221 Y HA 0.027 4.578 4.550 0.002 0.000 0.274 221 Y C 1.201 177.222 175.900 0.202 0.000 1.093 221 Y CA 1.267 59.527 58.100 0.267 0.000 1.105 221 Y CB -0.298 38.285 38.460 0.205 0.000 1.041 221 Y HN 0.073 nan 8.280 nan 0.000 0.489 222 D N -0.575 119.800 120.400 -0.041 0.000 2.772 222 D HA 0.105 4.747 4.640 0.002 0.000 0.272 222 D C -0.622 175.671 176.300 -0.012 0.000 1.314 222 D CA -0.314 53.588 54.000 -0.164 0.000 0.835 222 D CB -1.171 39.515 40.800 -0.191 0.000 1.080 222 D HN 0.089 nan 8.370 nan 0.000 0.482 223 N N 1.386 120.111 118.700 0.041 0.000 2.492 223 N HA -0.031 4.711 4.740 0.002 0.000 0.262 223 N C 0.634 176.151 175.510 0.012 0.000 1.202 223 N CA 0.027 53.100 53.050 0.038 0.000 0.926 223 N CB 0.874 39.398 38.487 0.062 0.000 1.078 223 N HN -0.004 nan 8.380 nan 0.000 0.454 224 K N 1.080 121.483 120.400 0.004 0.000 2.367 224 K HA 0.034 4.355 4.320 0.002 0.000 0.194 224 K C -0.037 176.556 176.600 -0.012 0.000 1.027 224 K CA 0.022 56.305 56.287 -0.007 0.000 1.075 224 K CB -0.068 32.426 32.500 -0.008 0.000 0.845 224 K HN 0.597 nan 8.250 nan 0.000 0.529 225 D N 1.416 121.813 120.400 -0.005 0.000 2.401 225 D HA -0.026 4.615 4.640 0.002 0.000 0.254 225 D C 1.170 177.443 176.300 -0.046 0.000 1.192 225 D CA 0.038 54.028 54.000 -0.017 0.000 0.885 225 D CB 0.934 41.741 40.800 0.012 0.000 1.147 225 D HN -0.039 nan 8.370 nan 0.000 0.478 226 L N 3.632 124.814 121.223 -0.069 0.000 2.083 226 L HA -0.171 4.170 4.340 0.002 0.000 0.209 226 L C 2.323 179.113 176.870 -0.133 0.000 1.083 226 L CA 1.141 55.929 54.840 -0.086 0.000 0.752 226 L CB -0.161 41.852 42.059 -0.077 0.000 0.899 226 L HN 0.518 nan 8.230 nan 0.000 0.433 227 E N -1.239 118.819 120.200 -0.238 0.000 2.158 227 E HA -0.199 4.152 4.350 0.002 0.000 0.191 227 E C 2.290 178.744 176.600 -0.244 0.000 0.982 227 E CA 1.113 57.289 56.400 -0.373 0.000 0.823 227 E CB -0.187 28.998 29.700 -0.858 0.000 0.766 227 E HN 0.563 nan 8.360 nan 0.000 0.468 228 c N 0.612 119.134 118.600 -0.130 0.000 2.429 228 c HA -0.092 4.480 4.570 0.002 0.000 0.277 228 c C 2.635 176.728 174.090 0.006 0.000 1.262 228 c CA 0.554 56.905 56.329 0.037 0.000 1.733 228 c CB -0.747 41.813 42.510 0.085 0.000 2.010 228 c HN 0.172 nan 8.230 nan 0.000 0.483 229 V N 0.986 120.884 119.914 -0.028 0.000 2.407 229 V HA -0.168 3.953 4.120 0.002 0.000 0.248 229 V C 2.681 178.736 176.094 -0.065 0.000 1.055 229 V CA 2.612 64.889 62.300 -0.038 0.000 1.049 229 V CB -1.077 30.722 31.823 -0.040 0.000 0.662 229 V HN 0.673 nan 8.190 nan 0.000 0.455 230 T N -0.009 114.501 114.554 -0.075 0.000 2.788 230 T HA -0.179 4.173 4.350 0.002 0.000 0.268 230 T C 1.666 176.323 174.700 -0.071 0.000 1.044 230 T CA 1.909 63.964 62.100 -0.075 0.000 1.139 230 T CB -0.430 68.389 68.868 -0.082 0.000 0.867 230 T HN 0.622 nan 8.240 nan 0.000 0.454 231 N N 0.803 119.469 118.700 -0.056 0.000 2.135 231 N HA 0.069 4.811 4.740 0.002 0.000 0.186 231 N C 1.820 177.265 175.510 -0.108 0.000 1.027 231 N CA 0.736 53.757 53.050 -0.048 0.000 0.849 231 N CB -0.245 38.244 38.487 0.003 0.000 1.002 231 N HN 0.228 nan 8.380 nan 0.000 0.425 232 L N 1.194 122.341 121.223 -0.126 0.000 2.127 232 L HA -0.203 4.139 4.340 0.002 0.000 0.211 232 L C 2.260 178.903 176.870 -0.379 0.000 1.089 232 L CA 1.231 55.913 54.840 -0.264 0.000 0.757 232 L CB -0.373 41.582 42.059 -0.174 0.000 0.899 232 L HN 0.275 nan 8.230 nan 0.000 0.434 233 Q N -0.537 119.125 119.800 -0.230 0.000 2.224 233 Q HA -0.243 4.099 4.340 0.002 0.000 0.203 233 Q C 2.028 177.925 176.000 -0.172 0.000 0.970 233 Q CA 1.356 57.040 55.803 -0.199 0.000 0.865 233 Q CB 0.060 28.730 28.738 -0.113 0.000 0.922 233 Q HN 0.355 nan 8.270 nan 0.000 0.445 234 E N 0.112 120.226 120.200 -0.144 0.000 2.112 234 E HA -0.106 4.246 4.350 0.002 0.000 0.190 234 E C 1.771 178.308 176.600 -0.106 0.000 0.979 234 E CA 0.806 57.149 56.400 -0.096 0.000 0.814 234 E CB 0.011 29.674 29.700 -0.062 0.000 0.762 234 E HN 0.083 nan 8.360 nan 0.000 0.460 235 V N 1.098 120.912 119.914 -0.167 0.000 2.343 235 V HA -0.242 3.880 4.120 0.002 0.000 0.247 235 V C 2.425 178.436 176.094 -0.139 0.000 1.051 235 V CA 1.811 64.023 62.300 -0.146 0.000 1.036 235 V CB -1.027 30.668 31.823 -0.214 0.000 0.654 235 V HN 0.453 nan 8.190 nan 0.000 0.451 236 A N 0.032 122.651 122.820 -0.336 0.000 1.933 236 A HA -0.253 4.068 4.320 0.002 0.000 0.218 236 A C 2.437 180.026 177.584 0.009 0.000 1.175 236 A CA 2.041 53.996 52.037 -0.135 0.000 0.628 236 A CB -0.562 18.286 19.000 -0.253 0.000 0.814 236 A HN 0.493 nan 8.150 nan 0.000 0.444 237 R N -0.246 120.229 120.500 -0.041 0.000 2.075 237 R HA -0.067 4.275 4.340 0.002 0.000 0.232 237 R C 1.936 178.237 176.300 0.002 0.000 1.126 237 R CA 1.724 57.815 56.100 -0.014 0.000 0.963 237 R CB -0.379 29.904 30.300 -0.028 0.000 0.858 237 R HN 0.542 nan 8.270 nan 0.000 0.435 238 I N 0.316 120.888 120.570 0.002 0.000 2.202 238 I HA -0.245 3.927 4.170 0.002 0.000 0.242 238 I C 2.323 178.459 176.117 0.031 0.000 1.091 238 I CA 0.953 62.263 61.300 0.016 0.000 1.368 238 I CB -0.179 37.834 38.000 0.022 0.000 1.058 238 I HN 0.023 nan 8.210 nan 0.000 0.410 239 V N 0.642 120.590 119.914 0.056 0.000 2.295 239 V HA -0.177 3.944 4.120 0.002 0.000 0.246 239 V C 2.070 178.182 176.094 0.030 0.000 1.049 239 V CA 2.199 64.538 62.300 0.065 0.000 1.024 239 V CB -0.903 31.000 31.823 0.132 0.000 0.648 239 V HN 0.606 nan 8.190 nan 0.000 0.447 240 G N -1.683 107.142 108.800 0.041 0.000 3.377 240 G HA2 0.113 4.075 3.960 0.002 0.000 0.257 240 G HA3 0.113 4.075 3.960 0.002 0.000 0.257 240 G C 0.500 175.396 174.900 -0.006 0.000 1.038 240 G CA 0.100 45.204 45.100 0.006 0.000 0.809 240 G HN 0.482 nan 8.290 nan 0.000 0.526 241 N N 0.278 118.978 118.700 0.000 0.000 2.545 241 N HA 0.020 4.761 4.740 0.002 0.000 0.283 241 N C 0.971 176.477 175.510 -0.006 0.000 1.596 241 N CA 0.484 53.531 53.050 -0.006 0.000 0.862 241 N CB 0.522 39.008 38.487 -0.002 0.000 1.422 241 N HN 0.181 nan 8.380 nan 0.000 0.489 242 S N -1.972 113.724 115.700 -0.006 0.000 2.733 242 S HA 0.368 4.840 4.470 0.002 0.000 0.247 242 S C 1.161 175.759 174.600 -0.004 0.000 1.043 242 S CA 0.479 58.677 58.200 -0.003 0.000 1.066 242 S CB 1.005 64.207 63.200 0.003 0.000 1.045 242 S HN 0.331 nan 8.310 nan 0.000 0.586 243 G N 1.071 109.864 108.800 -0.011 0.000 2.211 243 G HA2 -0.135 3.826 3.960 0.002 0.000 0.201 243 G HA3 -0.135 3.826 3.960 0.002 0.000 0.201 243 G C -0.163 174.729 174.900 -0.013 0.000 0.997 243 G CA -0.152 44.942 45.100 -0.011 0.000 0.652 243 G HN 0.476 nan 8.290 nan 0.000 0.500 244 L N 1.109 122.323 121.223 -0.015 0.000 2.395 244 L HA 0.457 4.798 4.340 0.002 0.000 0.269 244 L C 0.471 177.316 176.870 -0.041 0.000 1.133 244 L CA -0.984 53.845 54.840 -0.019 0.000 0.812 244 L CB 0.850 42.901 42.059 -0.013 0.000 1.125 244 L HN 0.131 nan 8.230 nan 0.000 0.452 245 N N 2.415 121.090 118.700 -0.043 0.000 2.406 245 N HA 0.082 4.823 4.740 0.002 0.000 0.251 245 N C 0.647 176.116 175.510 -0.068 0.000 1.069 245 N CA 0.141 53.153 53.050 -0.063 0.000 0.947 245 N CB 1.005 39.478 38.487 -0.024 0.000 1.111 245 N HN 0.685 nan 8.380 nan 0.000 0.497 246 I N 4.065 124.563 120.570 -0.121 0.000 2.567 246 I HA -0.232 3.939 4.170 0.002 0.000 0.257 246 I C 0.534 176.658 176.117 0.011 0.000 1.184 246 I CA 1.026 62.266 61.300 -0.101 0.000 1.451 246 I CB 0.032 37.944 38.000 -0.145 0.000 1.089 246 I HN 0.504 nan 8.210 nan 0.000 0.441 247 Y N 0.102 120.324 120.300 -0.129 0.000 2.544 247 Y HA 0.156 4.707 4.550 0.002 0.000 0.286 247 Y C 0.685 176.574 175.900 -0.019 0.000 1.141 247 Y CA 0.007 58.052 58.100 -0.092 0.000 1.299 247 Y CB -0.378 38.062 38.460 -0.034 0.000 1.030 247 Y HN 0.210 nan 8.280 nan 0.000 0.543 248 N N -0.100 118.668 118.700 0.113 0.000 2.905 248 N HA -0.002 4.739 4.740 0.002 0.000 0.255 248 N C 0.076 175.568 175.510 -0.030 0.000 1.199 248 N CA -0.074 53.016 53.050 0.067 0.000 0.911 248 N CB 0.539 39.094 38.487 0.114 0.000 1.550 248 N HN 0.088 nan 8.380 nan 0.000 0.599 249 L N 4.126 125.248 121.223 -0.168 0.000 2.083 249 L HA 0.058 4.399 4.340 0.002 0.000 0.209 249 L C 0.625 177.275 176.870 -0.367 0.000 1.083 249 L CA 1.983 56.617 54.840 -0.343 0.000 0.752 249 L CB -0.421 41.314 42.059 -0.541 0.000 0.899 249 L HN 0.582 nan 8.230 nan 0.000 0.433 250 Y N -0.282 120.081 120.300 0.105 0.000 2.495 250 Y HA 0.577 5.128 4.550 0.002 0.000 0.293 250 Y C 0.798 176.733 175.900 0.059 0.000 1.186 250 Y CA -0.261 57.886 58.100 0.078 0.000 1.266 250 Y CB -0.998 37.508 38.460 0.077 0.000 1.101 250 Y HN 0.167 nan 8.280 nan 0.000 0.517 251 A N 1.042 123.938 122.820 0.127 0.000 2.380 251 A HA 0.710 5.032 4.320 0.002 0.000 0.315 251 A C -2.452 175.170 177.584 0.063 0.000 1.101 251 A CA -1.826 50.270 52.037 0.098 0.000 0.771 251 A CB 1.055 20.110 19.000 0.092 0.000 1.287 251 A HN -0.056 nan 8.150 nan 0.000 0.436 252 P HA 0.238 nan 4.420 nan 0.000 0.272 252 P C -0.454 176.859 177.300 0.023 0.000 1.240 252 P CA -0.227 62.895 63.100 0.036 0.000 0.791 252 P CB 0.729 32.449 31.700 0.034 0.000 0.978 253 c N 1.647 120.253 118.600 0.010 0.000 2.273 253 c HA 0.612 5.184 4.570 0.002 0.000 0.328 253 c C 0.810 174.900 174.090 -0.000 0.000 1.275 253 c CA -0.393 55.933 56.329 -0.006 0.000 1.704 253 c CB -1.162 41.337 42.510 -0.017 0.000 2.326 253 c HN 0.682 nan 8.230 nan 0.000 0.517 254 A N 4.726 127.547 122.820 0.001 0.000 2.553 254 A HA 0.442 4.763 4.320 0.002 0.000 0.258 254 A C 1.504 179.090 177.584 0.002 0.000 1.069 254 A CA 1.037 53.078 52.037 0.008 0.000 0.767 254 A CB -0.637 18.371 19.000 0.012 0.000 0.997 254 A HN 2.528 nan 8.150 nan 0.000 0.512 255 G N 1.536 110.340 108.800 0.007 0.000 2.176 255 G HA2 0.246 4.207 3.960 0.002 0.000 0.232 255 G HA3 0.246 4.207 3.960 0.002 0.000 0.232 255 G C 1.654 176.555 174.900 0.003 0.000 0.986 255 G CA 0.571 45.673 45.100 0.004 0.000 0.643 255 G HN 3.084 nan 8.290 nan 0.000 0.522 256 G N -1.977 106.824 108.800 0.003 0.000 2.750 256 G HA2 0.138 4.099 3.960 0.002 0.000 0.228 256 G HA3 0.138 4.099 3.960 0.002 0.000 0.228 256 G C -0.073 174.827 174.900 -0.001 0.000 1.367 256 G CA 0.159 45.261 45.100 0.003 0.000 0.871 256 G HN 1.525 nan 8.290 nan 0.000 0.560 257 V N 3.260 123.175 119.914 0.001 0.000 2.394 257 V HA 0.535 4.657 4.120 0.002 0.000 0.282 257 V C -0.166 175.927 176.094 -0.000 0.000 1.031 257 V CA -0.477 61.822 62.300 -0.001 0.000 0.881 257 V CB 0.837 32.661 31.823 0.002 0.000 0.982 257 V HN 0.949 nan 8.190 nan 0.000 0.451 262 R N 1.181 121.673 120.500 -0.012 0.000 2.489 262 R HA 0.572 4.913 4.340 0.002 0.000 0.287 262 R C 0.037 176.329 176.300 -0.012 0.000 1.053 262 R CA 0.896 56.990 56.100 -0.010 0.000 1.036 262 R CB 0.423 30.718 30.300 -0.009 0.000 0.966 262 R HN 1.144 nan 8.270 nan 0.000 0.432 263 Y N 0.809 121.104 120.300 -0.008 0.000 2.409 263 Y HA 0.332 4.883 4.550 0.002 0.000 0.339 263 Y C 0.339 176.236 175.900 -0.005 0.000 1.033 263 Y CA -1.144 56.950 58.100 -0.010 0.000 1.094 263 Y CB 1.129 39.585 38.460 -0.006 0.000 1.210 263 Y HN 0.784 nan 8.280 nan 0.000 0.456 264 E N 1.856 122.052 120.200 -0.006 0.000 2.968 264 E HA 0.406 4.757 4.350 0.002 0.000 0.202 264 E C 0.098 176.699 176.600 0.001 0.000 0.979 264 E CA 0.131 56.532 56.400 0.000 0.000 1.192 264 E CB 0.302 30.003 29.700 0.002 0.000 1.059 264 E HN 1.055 nan 8.360 nan 0.000 0.470 265 K N 1.706 122.106 120.400 -0.001 0.000 6.320 265 K HA -0.141 4.180 4.320 0.002 0.000 0.744 265 K C -0.034 176.566 176.600 -0.001 0.000 1.766 265 K CA 0.763 57.050 56.287 0.001 0.000 1.669 265 K CB -2.721 29.782 32.500 0.004 0.000 2.014 265 K HN 0.385 nan 8.250 nan 0.000 0.322 266 D N -1.480 118.918 120.400 -0.004 0.000 3.070 266 D HA -0.099 4.543 4.640 0.002 0.000 0.210 266 D C 0.009 176.301 176.300 -0.014 0.000 1.103 266 D CA 2.212 56.209 54.000 -0.006 0.000 0.980 266 D CB -1.564 39.235 40.800 -0.002 0.000 1.100 266 D HN 1.398 nan 8.370 nan 0.000 0.423 267 T N 0.094 114.637 114.554 -0.019 0.000 3.031 267 T HA 0.495 4.846 4.350 0.002 0.000 0.305 267 T C -0.150 174.526 174.700 -0.039 0.000 0.985 267 T CA -0.483 61.597 62.100 -0.032 0.000 1.008 267 T CB 2.335 71.189 68.868 -0.024 0.000 1.005 267 T HN -0.133 nan 8.240 nan 0.000 0.444 268 V N 4.289 124.166 119.914 -0.062 0.000 2.432 268 V HA 0.402 4.523 4.120 0.002 0.000 0.275 268 V C 0.143 176.184 176.094 -0.088 0.000 1.043 268 V CA -0.541 61.720 62.300 -0.064 0.000 0.925 268 V CB 1.528 33.310 31.823 -0.069 0.000 0.985 268 V HN 0.677 nan 8.190 nan 0.000 0.466 269 V N 6.300 126.178 119.914 -0.059 0.000 2.394 269 V HA 0.452 4.574 4.120 0.002 0.000 0.282 269 V C 0.012 176.078 176.094 -0.046 0.000 1.031 269 V CA -0.441 61.825 62.300 -0.057 0.000 0.881 269 V CB 1.694 33.498 31.823 -0.031 0.000 0.982 269 V HN 0.586 nan 8.190 nan 0.000 0.451 270 V N 4.978 124.864 119.914 -0.047 0.000 2.667 270 V HA 0.411 4.533 4.120 0.002 0.000 0.308 270 V C 0.195 176.309 176.094 0.033 0.000 1.048 270 V CA -0.409 61.897 62.300 0.009 0.000 0.928 270 V CB 1.938 33.785 31.823 0.039 0.000 1.004 270 V HN 0.962 nan 8.190 nan 0.000 0.444 271 Q N 1.189 121.006 119.800 0.030 0.000 2.110 271 Q HA 0.219 4.560 4.340 0.002 0.000 0.232 271 Q C -0.741 175.258 176.000 -0.001 0.000 0.810 271 Q CA -0.248 55.553 55.803 -0.003 0.000 1.083 271 Q CB 0.946 29.656 28.738 -0.047 0.000 1.193 271 Q HN 0.751 nan 8.270 nan 0.000 0.471 272 D N 1.008 121.442 120.400 0.055 0.000 2.467 272 D HA 0.162 4.804 4.640 0.002 0.000 0.220 272 D C 0.706 177.037 176.300 0.051 0.000 1.103 272 D CA -0.232 53.800 54.000 0.053 0.000 0.886 272 D CB 0.689 41.541 40.800 0.086 0.000 1.025 272 D HN 0.132 nan 8.370 nan 0.000 0.514 273 L N 2.739 123.969 121.223 0.011 0.000 2.376 273 L HA 0.168 4.509 4.340 0.002 0.000 0.219 273 L C 1.647 178.508 176.870 -0.014 0.000 1.133 273 L CA 0.553 55.384 54.840 -0.015 0.000 0.816 273 L CB -0.337 41.710 42.059 -0.020 0.000 0.933 273 L HN 0.713 nan 8.230 nan 0.000 0.449 274 G N 0.532 109.348 108.800 0.027 0.000 2.149 274 G HA2 -0.252 3.709 3.960 0.002 0.000 0.235 274 G HA3 -0.252 3.709 3.960 0.002 0.000 0.235 274 G C 0.432 175.396 174.900 0.107 0.000 1.018 274 G CA 0.330 45.466 45.100 0.060 0.000 0.728 274 G HN 0.428 nan 8.290 nan 0.000 0.508 275 N N -0.208 118.549 118.700 0.094 0.000 2.205 275 N HA 0.204 4.946 4.740 0.002 0.000 0.201 275 N C 1.064 176.633 175.510 0.098 0.000 1.128 275 N CA 0.869 54.004 53.050 0.143 0.000 0.867 275 N CB 0.702 39.236 38.487 0.079 0.000 0.996 275 N HN 0.852 nan 8.380 nan 0.000 0.503 276 I N -3.530 117.066 120.570 0.043 0.000 2.603 276 I HA 0.441 4.612 4.170 0.002 0.000 0.300 276 I C -0.471 175.657 176.117 0.018 0.000 1.017 276 I CA -0.846 60.395 61.300 -0.099 0.000 1.098 276 I CB 1.051 38.893 38.000 -0.264 0.000 1.279 276 I HN -0.229 nan 8.210 nan 0.000 0.437 277 F N 1.836 121.887 119.950 0.168 0.000 3.090 277 F HA -0.233 4.296 4.527 0.003 0.000 0.282 277 F C 1.776 177.634 175.800 0.096 0.000 0.923 277 F CA 1.158 59.239 58.000 0.136 0.000 0.977 277 F CB -2.449 36.601 39.000 0.083 0.000 0.954 277 F HN 0.834 nan 8.300 nan 0.000 0.695 278 T N -3.362 111.330 114.554 0.230 0.000 2.977 278 T HA -0.144 4.207 4.350 0.002 0.000 0.271 278 T C 1.678 176.394 174.700 0.026 0.000 1.105 278 T CA 1.021 63.203 62.100 0.135 0.000 1.116 278 T CB -0.004 68.944 68.868 0.134 0.000 0.878 278 T HN 0.276 nan 8.240 nan 0.000 0.509 279 R N 0.621 121.093 120.500 -0.047 0.000 2.426 279 R HA 0.477 4.819 4.340 0.002 0.000 0.263 279 R C 0.229 176.478 176.300 -0.085 0.000 0.961 279 R CA -0.170 55.815 56.100 -0.192 0.000 1.086 279 R CB -0.509 29.422 30.300 -0.615 0.000 1.186 279 R HN 0.467 nan 8.270 nan 0.000 0.537 280 L N 0.797 122.028 121.223 0.013 0.000 2.400 280 L HA 0.438 4.779 4.340 0.002 0.000 0.264 280 L C -1.831 175.039 176.870 0.001 0.000 1.061 280 L CA -2.149 52.699 54.840 0.013 0.000 0.799 280 L CB 0.434 42.516 42.059 0.038 0.000 1.240 280 L HN -0.194 nan 8.230 nan 0.000 0.461 281 P HA -0.011 nan 4.420 nan 0.000 0.266 281 P C -0.575 176.727 177.300 0.004 0.000 1.195 281 P CA -0.432 62.663 63.100 -0.008 0.000 0.768 281 P CB 0.302 31.992 31.700 -0.016 0.000 0.838 282 L N 2.192 123.421 121.223 0.010 0.000 2.678 282 L HA 0.235 4.576 4.340 0.002 0.000 0.285 282 L C 0.215 177.095 176.870 0.016 0.000 1.233 282 L CA 1.282 56.136 54.840 0.023 0.000 0.920 282 L CB -1.269 40.813 42.059 0.039 0.000 1.176 282 L HN 0.486 nan 8.230 nan 0.000 0.495 283 K N 5.363 125.763 120.400 0.000 0.000 2.615 283 K HA 0.726 5.047 4.320 0.002 0.000 0.249 283 K C -0.938 175.598 176.600 -0.106 0.000 0.977 283 K CA -0.795 55.472 56.287 -0.033 0.000 0.833 283 K CB 1.209 33.701 32.500 -0.013 0.000 1.208 283 K HN 0.587 nan 8.250 nan 0.000 0.443 284 R N 3.457 123.785 120.500 -0.286 0.000 2.476 284 R HA 0.444 4.785 4.340 0.002 0.000 0.305 284 R C 0.625 176.675 176.300 -0.417 0.000 0.965 284 R CA -1.074 54.739 56.100 -0.479 0.000 0.867 284 R CB 1.497 31.050 30.300 -1.245 0.000 1.176 284 R HN 0.740 nan 8.270 nan 0.000 0.447 285 M N 1.789 121.304 119.600 -0.141 0.000 2.117 285 M HA -0.131 4.351 4.480 0.002 0.000 0.262 285 M C 1.928 178.220 176.300 -0.013 0.000 1.065 285 M CA 1.614 56.886 55.300 -0.047 0.000 1.114 285 M CB -0.575 32.047 32.600 0.037 0.000 1.361 285 M HN 0.681 nan 8.290 nan 0.000 0.408 286 W N 0.152 121.454 121.300 0.003 0.000 2.387 286 W HA -0.172 4.490 4.660 0.003 0.000 0.272 286 W C 1.417 178.004 176.519 0.114 0.000 1.224 286 W CA 0.841 58.219 57.345 0.054 0.000 1.210 286 W CB -1.842 27.730 29.460 0.187 0.000 1.125 286 W HN 0.437 nan 8.180 nan 0.000 0.572 287 H N 1.040 119.682 119.070 -0.713 0.000 2.489 287 H HA -0.117 4.440 4.556 0.002 0.000 0.293 287 H C 2.065 177.237 175.328 -0.260 0.000 1.066 287 H CA 1.648 57.264 56.048 -0.720 0.000 1.305 287 H CB 0.082 29.452 29.762 -0.654 0.000 1.386 287 H HN 0.324 nan 8.280 nan 0.000 0.551 288 Q N 0.371 120.154 119.800 -0.028 0.000 2.389 288 Q HA 0.125 4.466 4.340 0.002 0.000 0.204 288 Q C 0.724 176.742 176.000 0.030 0.000 0.944 288 Q CA 0.040 55.843 55.803 -0.001 0.000 0.908 288 Q CB 0.548 29.282 28.738 -0.007 0.000 1.002 288 Q HN 0.300 nan 8.270 nan 0.000 0.493 289 A N 1.297 124.161 122.820 0.074 0.000 2.488 289 A HA 0.218 4.540 4.320 0.002 0.000 0.249 289 A C -0.394 177.235 177.584 0.075 0.000 1.083 289 A CA 0.098 52.183 52.037 0.080 0.000 0.768 289 A CB 0.098 19.168 19.000 0.116 0.000 1.017 289 A HN 0.305 nan 8.150 nan 0.000 0.496 290 L N 4.340 125.590 121.223 0.044 0.000 2.301 290 L HA 0.314 4.656 4.340 0.002 0.000 0.278 290 L C -0.591 176.298 176.870 0.032 0.000 1.022 290 L CA -0.144 54.719 54.840 0.038 0.000 0.854 290 L CB 0.615 42.688 42.059 0.022 0.000 1.226 290 L HN 0.603 nan 8.230 nan 0.000 0.429 291 L N 3.496 124.743 121.223 0.041 0.000 2.312 291 L HA 0.470 4.811 4.340 0.002 0.000 0.281 291 L C 0.530 177.413 176.870 0.022 0.000 1.070 291 L CA -0.525 54.331 54.840 0.026 0.000 0.805 291 L CB 1.589 43.666 42.059 0.030 0.000 1.174 291 L HN 0.575 nan 8.230 nan 0.000 0.434 292 R N 0.830 121.338 120.500 0.013 0.000 2.560 292 R HA 0.165 4.507 4.340 0.002 0.000 0.270 292 R C 0.077 176.385 176.300 0.013 0.000 1.074 292 R CA -0.306 55.801 56.100 0.012 0.000 1.140 292 R CB 1.298 31.602 30.300 0.008 0.000 1.073 292 R HN 0.566 nan 8.270 nan 0.000 0.527 293 S N 0.569 116.277 115.700 0.014 0.000 2.481 293 S HA 0.244 4.715 4.470 0.002 0.000 0.282 293 S C 0.838 175.444 174.600 0.011 0.000 1.243 293 S CA 1.065 59.274 58.200 0.015 0.000 1.078 293 S CB 0.100 63.308 63.200 0.014 0.000 0.916 293 S HN 0.823 nan 8.310 nan 0.000 0.495 294 G N 4.065 112.870 108.800 0.009 0.000 2.179 294 G HA2 -0.152 3.809 3.960 0.002 0.000 0.220 294 G HA3 -0.152 3.809 3.960 0.002 0.000 0.220 294 G C -0.428 174.473 174.900 0.001 0.000 0.990 294 G CA -0.149 44.955 45.100 0.006 0.000 0.646 294 G HN 0.653 nan 8.290 nan 0.000 0.517 295 D N 1.109 121.508 120.400 -0.002 0.000 2.225 295 D HA 0.677 5.319 4.640 0.002 0.000 0.249 295 D C 0.589 176.875 176.300 -0.023 0.000 1.052 295 D CA 0.765 54.758 54.000 -0.011 0.000 0.909 295 D CB 1.348 42.141 40.800 -0.012 0.000 1.186 295 D HN 0.697 nan 8.370 nan 0.000 0.431 296 K N 0.209 120.588 120.400 -0.036 0.000 2.203 296 K HA 0.671 4.992 4.320 0.002 0.000 0.251 296 K C -0.688 175.849 176.600 -0.105 0.000 0.944 296 K CA -0.780 55.474 56.287 -0.056 0.000 0.829 296 K CB 1.334 33.813 32.500 -0.035 0.000 1.125 296 K HN 0.307 nan 8.250 nan 0.000 0.430 297 V N 2.801 122.606 119.914 -0.182 0.000 2.370 297 V HA 0.547 4.669 4.120 0.002 0.000 0.283 297 V C 0.118 176.034 176.094 -0.297 0.000 1.023 297 V CA -0.810 61.289 62.300 -0.334 0.000 0.857 297 V CB 1.073 32.486 31.823 -0.684 0.000 0.985 297 V HN 0.866 nan 8.190 nan 0.000 0.443 298 R N 4.987 125.366 120.500 -0.202 0.000 2.514 298 R HA 0.683 5.024 4.340 0.002 0.000 0.301 298 R C -0.784 175.470 176.300 -0.076 0.000 0.962 298 R CA -0.686 55.353 56.100 -0.102 0.000 0.882 298 R CB 1.612 31.874 30.300 -0.063 0.000 1.143 298 R HN 0.760 nan 8.270 nan 0.000 0.452 299 M N 3.889 123.504 119.600 0.024 0.000 2.205 299 M HA 0.319 4.800 4.480 0.002 0.000 0.344 299 M C -1.529 174.778 176.300 0.012 0.000 1.085 299 M CA -0.322 55.024 55.300 0.077 0.000 1.001 299 M CB 1.382 34.122 32.600 0.233 0.000 1.626 299 M HN 0.607 nan 8.290 nan 0.000 0.442 300 D N 5.758 126.160 120.400 0.002 0.000 2.419 300 D HA 0.590 5.231 4.640 0.002 0.000 0.234 300 D C -2.644 173.649 176.300 -0.013 0.000 1.014 300 D CA -1.323 52.671 54.000 -0.011 0.000 0.919 300 D CB 1.864 42.658 40.800 -0.011 0.000 1.366 300 D HN 0.293 nan 8.370 nan 0.000 0.490 301 P HA 0.160 nan 4.420 nan 0.000 0.269 301 P C -2.444 174.765 177.300 -0.152 0.000 1.209 301 P CA -0.885 62.203 63.100 -0.020 0.000 0.776 301 P CB -0.134 31.642 31.700 0.126 0.000 0.876 302 P HA -0.156 nan 4.420 nan 0.000 0.264 302 P C -0.277 176.819 177.300 -0.340 0.000 1.193 302 P CA 0.374 63.269 63.100 -0.342 0.000 0.763 302 P CB -0.048 31.388 31.700 -0.440 0.000 0.810 303 c N 1.048 119.542 118.600 -0.178 0.000 4.331 303 c HA -0.129 4.443 4.570 0.002 0.000 0.293 303 c C 1.114 175.166 174.090 -0.064 0.000 1.436 303 c CA 1.570 57.833 56.329 -0.110 0.000 1.993 303 c CB -3.171 39.270 42.510 -0.114 0.000 1.266 303 c HN 0.858 nan 8.230 nan 0.000 0.795 304 T N -1.926 112.598 114.554 -0.049 0.000 2.912 304 T HA 0.606 4.957 4.350 0.002 0.000 0.288 304 T C -0.690 174.024 174.700 0.023 0.000 1.030 304 T CA -0.545 61.565 62.100 0.016 0.000 1.020 304 T CB 2.028 70.932 68.868 0.061 0.000 1.056 304 T HN 0.284 nan 8.240 nan 0.000 0.480 305 N N 0.926 119.652 118.700 0.043 0.000 2.446 305 N HA 0.305 5.046 4.740 0.002 0.000 0.265 305 N C 0.757 176.309 175.510 0.070 0.000 0.975 305 N CA -0.463 52.614 53.050 0.046 0.000 0.928 305 N CB 1.817 40.328 38.487 0.041 0.000 1.160 305 N HN 0.897 nan 8.380 nan 0.000 0.495 306 T N -0.888 113.714 114.554 0.081 0.000 3.069 306 T HA 0.047 4.398 4.350 0.002 0.000 0.252 306 T C 1.300 176.092 174.700 0.153 0.000 1.053 306 T CA 0.202 62.380 62.100 0.129 0.000 0.964 306 T CB -0.187 68.755 68.868 0.123 0.000 1.005 306 T HN 0.324 nan 8.240 nan 0.000 0.532 307 T N 2.537 117.157 114.554 0.109 0.000 2.665 307 T HA -0.108 4.243 4.350 0.002 0.000 0.268 307 T C 2.406 177.175 174.700 0.116 0.000 1.035 307 T CA 1.676 63.840 62.100 0.106 0.000 1.151 307 T CB -0.793 68.119 68.868 0.073 0.000 0.862 307 T HN 0.632 nan 8.240 nan 0.000 0.438 308 A N 1.397 124.275 122.820 0.097 0.000 1.877 308 A HA 0.151 4.473 4.320 0.002 0.000 0.216 308 A C 2.665 180.315 177.584 0.110 0.000 1.186 308 A CA 1.945 54.033 52.037 0.085 0.000 0.620 308 A CB -1.152 17.876 19.000 0.047 0.000 0.822 308 A HN 0.533 nan 8.150 nan 0.000 0.443 309 A N -0.990 121.901 122.820 0.120 0.000 1.873 309 A HA -0.063 4.258 4.320 0.002 0.000 0.215 309 A C 2.503 180.141 177.584 0.091 0.000 1.186 309 A CA 2.111 54.203 52.037 0.092 0.000 0.616 309 A CB -0.965 18.114 19.000 0.132 0.000 0.823 309 A HN 0.592 nan 8.150 nan 0.000 0.442 310 S N -0.960 114.922 115.700 0.302 0.000 2.382 310 S HA -0.134 4.337 4.470 0.002 0.000 0.228 310 S C 2.034 176.763 174.600 0.216 0.000 1.027 310 S CA 2.182 60.627 58.200 0.409 0.000 0.991 310 S CB -0.582 62.865 63.200 0.412 0.000 0.823 310 S HN 0.590 nan 8.310 nan 0.000 0.469 311 T N 0.435 115.089 114.554 0.167 0.000 2.777 311 T HA -0.062 4.289 4.350 0.002 0.000 0.266 311 T C 1.423 176.187 174.700 0.107 0.000 1.040 311 T CA 1.539 63.713 62.100 0.124 0.000 1.141 311 T CB -0.491 68.444 68.868 0.111 0.000 0.868 311 T HN 0.631 nan 8.240 nan 0.000 0.444 312 Y N 1.667 121.971 120.300 0.007 0.000 2.133 312 Y HA 0.025 4.576 4.550 0.002 0.000 0.287 312 Y C 2.006 177.891 175.900 -0.025 0.000 1.134 312 Y CA 1.084 59.174 58.100 -0.017 0.000 1.133 312 Y CB -0.519 37.917 38.460 -0.039 0.000 0.987 312 Y HN 0.078 nan 8.280 nan 0.000 0.502 313 L N 0.480 121.630 121.223 -0.122 0.000 2.131 313 L HA -0.236 4.105 4.340 0.002 0.000 0.210 313 L C 1.308 178.174 176.870 -0.007 0.000 1.092 313 L CA 1.227 55.943 54.840 -0.207 0.000 0.759 313 L CB -0.529 41.147 42.059 -0.638 0.000 0.903 313 L HN 0.326 nan 8.230 nan 0.000 0.435 314 N N 0.213 118.942 118.700 0.049 0.000 2.370 314 N HA -0.032 4.709 4.740 0.002 0.000 0.198 314 N C 0.253 175.770 175.510 0.013 0.000 1.156 314 N CA 0.069 53.187 53.050 0.113 0.000 0.839 314 N CB -0.254 38.327 38.487 0.157 0.000 0.989 314 N HN 0.224 nan 8.380 nan 0.000 0.468 315 N N 2.008 120.659 118.700 -0.081 0.000 2.442 315 N HA 0.103 4.844 4.740 0.002 0.000 0.265 315 N C -1.704 173.747 175.510 -0.099 0.000 1.138 315 N CA -1.742 51.255 53.050 -0.088 0.000 0.956 315 N CB 1.388 39.776 38.487 -0.166 0.000 1.067 315 N HN -0.083 nan 8.380 nan 0.000 0.474 316 P HA -0.150 nan 4.420 nan 0.000 0.217 316 P C 0.546 177.714 177.300 -0.221 0.000 1.151 316 P CA 1.454 64.441 63.100 -0.188 0.000 0.849 316 P CB -0.004 31.540 31.700 -0.261 0.000 0.787 317 Y N -1.415 118.802 120.300 -0.137 0.000 2.263 317 Y HA -0.110 4.441 4.550 0.002 0.000 0.292 317 Y C 2.371 178.154 175.900 -0.195 0.000 1.130 317 Y CA 0.793 58.806 58.100 -0.145 0.000 1.179 317 Y CB -1.171 37.216 38.460 -0.123 0.000 0.998 317 Y HN -0.236 nan 8.280 nan 0.000 0.532 318 V N -0.098 119.755 119.914 -0.100 0.000 2.307 318 V HA -0.274 3.847 4.120 0.002 0.000 0.245 318 V C 2.316 178.259 176.094 -0.251 0.000 1.045 318 V CA 1.733 63.882 62.300 -0.252 0.000 1.024 318 V CB -0.467 31.041 31.823 -0.525 0.000 0.651 318 V HN 0.296 nan 8.190 nan 0.000 0.449 319 R N 0.059 120.410 120.500 -0.247 0.000 2.096 319 R HA -0.202 4.139 4.340 0.002 0.000 0.240 319 R C 2.441 178.558 176.300 -0.305 0.000 1.139 319 R CA 1.738 57.630 56.100 -0.347 0.000 0.952 319 R CB -0.373 29.738 30.300 -0.314 0.000 0.854 319 R HN 0.490 nan 8.270 nan 0.000 0.436 320 K N 0.064 120.337 120.400 -0.211 0.000 2.032 320 K HA -0.119 4.203 4.320 0.002 0.000 0.209 320 K C 2.102 178.615 176.600 -0.145 0.000 1.048 320 K CA 1.488 57.679 56.287 -0.160 0.000 0.927 320 K CB -0.204 32.229 32.500 -0.112 0.000 0.712 320 K HN 0.174 nan 8.250 nan 0.000 0.441 321 A N 1.072 123.808 122.820 -0.140 0.000 2.121 321 A HA -0.049 4.272 4.320 0.002 0.000 0.218 321 A C 1.879 179.332 177.584 -0.220 0.000 1.154 321 A CA 0.968 52.918 52.037 -0.145 0.000 0.679 321 A CB -0.319 18.604 19.000 -0.128 0.000 0.795 321 A HN 0.175 nan 8.150 nan 0.000 0.458 322 L N -0.876 120.172 121.223 -0.292 0.000 2.592 322 L HA 0.073 4.415 4.340 0.002 0.000 0.227 322 L C -0.090 176.614 176.870 -0.277 0.000 1.127 322 L CA -0.149 54.466 54.840 -0.375 0.000 0.884 322 L CB -0.292 41.477 42.059 -0.484 0.000 1.065 322 L HN 0.397 nan 8.230 nan 0.000 0.457 323 N N 0.848 119.426 118.700 -0.203 0.000 2.758 323 N HA -0.153 4.588 4.740 0.002 0.000 0.248 323 N C -0.463 174.993 175.510 -0.090 0.000 1.076 323 N CA 0.603 53.588 53.050 -0.108 0.000 0.696 323 N CB -1.089 37.382 38.487 -0.027 0.000 0.979 323 N HN 0.126 nan 8.380 nan 0.000 0.550 324 I N 0.829 121.255 120.570 -0.241 0.000 2.325 324 I HA 0.270 4.442 4.170 0.002 0.000 0.291 324 I C -1.621 174.363 176.117 -0.222 0.000 1.019 324 I CA -2.365 58.763 61.300 -0.287 0.000 1.302 324 I CB 0.208 37.736 38.000 -0.787 0.000 1.401 324 I HN -0.211 nan 8.210 nan 0.000 0.485 325 P HA 0.072 nan 4.420 nan 0.000 0.260 325 P C 1.102 178.282 177.300 -0.200 0.000 1.172 325 P CA 0.448 63.422 63.100 -0.210 0.000 0.760 325 P CB 0.547 32.049 31.700 -0.331 0.000 0.773 326 E N 3.801 123.905 120.200 -0.159 0.000 2.209 326 E HA -0.265 4.087 4.350 0.002 0.000 0.196 326 E C 1.634 178.170 176.600 -0.107 0.000 0.993 326 E CA 1.436 57.759 56.400 -0.129 0.000 0.819 326 E CB -0.942 28.692 29.700 -0.109 0.000 0.745 326 E HN 0.700 nan 8.360 nan 0.000 0.477 327 Q N 0.097 119.823 119.800 -0.125 0.000 2.435 327 Q HA 0.055 4.396 4.340 0.002 0.000 0.207 327 Q C 0.902 176.849 176.000 -0.088 0.000 0.956 327 Q CA 0.111 55.854 55.803 -0.100 0.000 0.917 327 Q CB -0.492 28.181 28.738 -0.108 0.000 0.997 327 Q HN 0.532 nan 8.270 nan 0.000 0.497 328 L N 3.105 124.259 121.223 -0.115 0.000 2.456 328 L HA 0.186 4.527 4.340 0.002 0.000 0.272 328 L C -1.803 175.111 176.870 0.074 0.000 1.189 328 L CA -1.577 53.239 54.840 -0.040 0.000 0.846 328 L CB -0.158 41.890 42.059 -0.018 0.000 1.111 328 L HN 0.043 nan 8.230 nan 0.000 0.475 329 P HA -0.003 nan 4.420 nan 0.000 0.272 329 P C -0.771 176.642 177.300 0.188 0.000 1.254 329 P CA -0.537 62.639 63.100 0.125 0.000 0.795 329 P CB 0.334 32.103 31.700 0.115 0.000 1.022 330 Q N 0.297 120.185 119.800 0.147 0.000 2.395 330 Q HA -0.007 4.334 4.340 0.002 0.000 0.271 330 Q C -0.953 175.144 176.000 0.161 0.000 1.026 330 Q CA -0.290 55.621 55.803 0.179 0.000 0.900 330 Q CB 0.276 29.083 28.738 0.115 0.000 1.266 330 Q HN 0.408 nan 8.270 nan 0.000 0.430 331 W N 4.273 125.558 121.300 -0.025 0.000 2.218 331 W HA 0.202 4.864 4.660 0.002 0.000 0.326 331 W C -1.020 175.423 176.519 -0.127 0.000 1.276 331 W CA 0.138 57.320 57.345 -0.271 0.000 1.210 331 W CB 0.853 29.950 29.460 -0.605 0.000 1.143 331 W HN 0.599 nan 8.180 nan 0.000 0.563 332 D N 5.215 125.078 120.400 -0.894 0.000 2.732 332 D HA 0.103 4.744 4.640 0.002 0.000 0.229 332 D C 0.677 176.071 176.300 -1.509 0.000 1.152 332 D CA -0.657 52.861 54.000 -0.803 0.000 0.854 332 D CB 2.097 42.659 40.800 -0.397 0.000 1.590 332 D HN 0.506 nan 8.370 nan 0.000 0.468 333 M N 0.066 119.015 119.600 -1.084 0.000 2.374 333 M HA -0.011 4.470 4.480 0.002 0.000 0.264 333 M C -0.290 175.747 176.300 -0.439 0.000 1.067 333 M CA 1.432 56.245 55.300 -0.812 0.000 1.103 333 M CB 0.244 32.736 32.600 -0.180 0.000 1.402 333 M HN 0.352 nan 8.290 nan 0.000 0.444 334 c N -0.045 118.347 118.600 -0.346 0.000 2.888 334 c HA 0.423 4.994 4.570 0.002 0.000 0.308 334 c C -0.395 173.586 174.090 -0.182 0.000 1.213 334 c CA -1.550 54.657 56.329 -0.203 0.000 1.461 334 c CB 1.565 44.016 42.510 -0.099 0.000 1.934 334 c HN 0.342 nan 8.230 nan 0.000 0.474 335 N N 1.037 119.651 118.700 -0.144 0.000 2.501 335 N HA 0.192 4.933 4.740 0.002 0.000 0.245 335 N C 0.391 175.872 175.510 -0.049 0.000 0.974 335 N CA -0.317 52.675 53.050 -0.096 0.000 0.941 335 N CB 0.610 39.022 38.487 -0.124 0.000 1.122 335 N HN 0.727 nan 8.380 nan 0.000 0.507 336 F N 4.813 124.691 119.950 -0.119 0.000 2.065 336 F HA -0.183 4.345 4.527 0.002 0.000 0.298 336 F C 1.702 177.424 175.800 -0.130 0.000 1.112 336 F CA 1.516 59.441 58.000 -0.124 0.000 1.212 336 F CB -0.000 38.922 39.000 -0.130 0.000 0.975 336 F HN 0.542 nan 8.300 nan 0.000 0.476 337 L N -0.691 120.446 121.223 -0.144 0.000 2.079 337 L HA -0.236 4.106 4.340 0.002 0.000 0.210 337 L C 2.407 179.160 176.870 -0.195 0.000 1.081 337 L CA 1.097 55.814 54.840 -0.204 0.000 0.752 337 L CB -0.889 41.168 42.059 -0.003 0.000 0.896 337 L HN 0.091 nan 8.230 nan 0.000 0.433 338 V N 0.272 120.113 119.914 -0.123 0.000 2.307 338 V HA -0.288 3.833 4.120 0.002 0.000 0.245 338 V C 2.390 178.429 176.094 -0.092 0.000 1.045 338 V CA 2.081 64.336 62.300 -0.076 0.000 1.024 338 V CB -0.680 31.099 31.823 -0.075 0.000 0.651 338 V HN 0.589 nan 8.190 nan 0.000 0.449 339 N N 0.357 118.941 118.700 -0.192 0.000 2.166 339 N HA -0.174 4.567 4.740 0.002 0.000 0.186 339 N C 1.958 177.336 175.510 -0.220 0.000 1.019 339 N CA 1.693 54.613 53.050 -0.217 0.000 0.856 339 N CB -0.109 38.231 38.487 -0.245 0.000 0.993 339 N HN 0.428 nan 8.380 nan 0.000 0.426 340 L N 1.416 122.388 121.223 -0.419 0.000 2.083 340 L HA -0.115 4.227 4.340 0.002 0.000 0.209 340 L C 1.826 178.585 176.870 -0.184 0.000 1.083 340 L CA 1.698 56.277 54.840 -0.435 0.000 0.752 340 L CB -0.311 41.271 42.059 -0.795 0.000 0.899 340 L HN 0.218 nan 8.230 nan 0.000 0.433 341 Q N -2.023 117.695 119.800 -0.136 0.000 2.319 341 Q HA 0.028 4.370 4.340 0.002 0.000 0.202 341 Q C -0.454 175.521 176.000 -0.042 0.000 0.896 341 Q CA -0.278 55.479 55.803 -0.077 0.000 0.942 341 Q CB 0.195 28.867 28.738 -0.109 0.000 1.083 341 Q HN 0.455 nan 8.270 nan 0.000 0.510 342 Y N 2.069 122.299 120.300 -0.116 0.000 2.442 342 Y HA 0.061 4.612 4.550 0.002 0.000 0.330 342 Y C -0.195 175.681 175.900 -0.040 0.000 1.129 342 Y CA -0.167 57.884 58.100 -0.082 0.000 1.365 342 Y CB 0.498 38.886 38.460 -0.121 0.000 1.233 342 Y HN -0.145 nan 8.280 nan 0.000 0.529 343 R N 6.453 126.702 120.500 -0.418 0.000 2.310 343 R HA 0.318 4.659 4.340 0.002 0.000 0.324 343 R C -0.674 175.536 176.300 -0.151 0.000 0.955 343 R CA -0.661 55.322 56.100 -0.195 0.000 0.830 343 R CB 1.011 31.212 30.300 -0.165 0.000 1.154 343 R HN 0.763 nan 8.270 nan 0.000 0.458 344 R N 3.297 123.865 120.500 0.114 0.000 2.298 344 R HA 0.259 4.600 4.340 0.002 0.000 0.310 344 R C 0.954 177.312 176.300 0.097 0.000 1.068 344 R CA -0.122 56.141 56.100 0.272 0.000 0.957 344 R CB 0.840 31.333 30.300 0.321 0.000 1.003 344 R HN 0.481 nan 8.270 nan 0.000 0.454 345 L N 2.088 123.367 121.223 0.093 0.000 2.445 345 L HA 0.210 4.551 4.340 0.002 0.000 0.207 345 L C 0.031 176.793 176.870 -0.180 0.000 1.053 345 L CA 0.163 54.928 54.840 -0.126 0.000 0.841 345 L CB 0.015 41.899 42.059 -0.292 0.000 1.074 345 L HN 0.482 nan 8.230 nan 0.000 0.479 346 Y N 0.221 120.596 120.300 0.125 0.000 2.304 346 Y HA 0.260 4.811 4.550 0.002 0.000 0.328 346 Y C 1.282 177.293 175.900 0.186 0.000 1.123 346 Y CA -0.515 57.660 58.100 0.125 0.000 1.218 346 Y CB 0.780 39.306 38.460 0.110 0.000 1.207 346 Y HN -0.116 nan 8.280 nan 0.000 0.495 347 R N 0.555 121.234 120.500 0.299 0.000 2.254 347 R HA 0.159 4.500 4.340 0.002 0.000 0.193 347 R C 0.023 176.551 176.300 0.379 0.000 0.929 347 R CA 0.255 56.533 56.100 0.296 0.000 1.038 347 R CB 0.671 31.063 30.300 0.153 0.000 1.009 347 R HN 0.559 nan 8.270 nan 0.000 0.512 348 S N -0.744 115.132 115.700 0.293 0.000 2.556 348 S HA 0.381 4.852 4.470 0.002 0.000 0.271 348 S C -0.114 174.618 174.600 0.219 0.000 1.135 348 S CA -0.599 57.742 58.200 0.235 0.000 0.858 348 S CB 1.325 64.669 63.200 0.240 0.000 1.114 348 S HN -0.075 nan 8.310 nan 0.000 0.468 349 M N 3.458 123.192 119.600 0.223 0.000 2.475 349 M HA 0.263 4.745 4.480 0.002 0.000 0.283 349 M C 1.189 177.815 176.300 0.545 0.000 1.165 349 M CA -0.050 55.392 55.300 0.237 0.000 0.976 349 M CB -1.274 31.393 32.600 0.112 0.000 1.428 349 M HN 0.618 nan 8.290 nan 0.000 0.495 350 N N 0.612 119.608 118.700 0.493 0.000 2.069 350 N HA -0.113 4.628 4.740 0.002 0.000 0.191 350 N C 1.446 177.067 175.510 0.185 0.000 1.031 350 N CA 1.616 54.829 53.050 0.271 0.000 0.852 350 N CB 0.160 38.704 38.487 0.096 0.000 1.018 350 N HN 0.303 nan 8.380 nan 0.000 0.423 351 S N 1.387 117.174 115.700 0.145 0.000 2.356 351 S HA -0.138 4.334 4.470 0.002 0.000 0.223 351 S C 1.967 176.604 174.600 0.062 0.000 1.032 351 S CA 1.050 59.303 58.200 0.089 0.000 1.005 351 S CB -0.352 62.900 63.200 0.087 0.000 0.867 351 S HN 0.301 nan 8.310 nan 0.000 0.449 352 Q N 0.477 120.289 119.800 0.021 0.000 2.061 352 Q HA -0.088 4.254 4.340 0.002 0.000 0.204 352 Q C 1.897 177.853 176.000 -0.073 0.000 0.984 352 Q CA 1.805 57.548 55.803 -0.099 0.000 0.846 352 Q CB -0.661 27.920 28.738 -0.262 0.000 0.902 352 Q HN 0.632 nan 8.270 nan 0.000 0.421 353 Y N -0.083 120.258 120.300 0.069 0.000 2.242 353 Y HA -0.119 4.432 4.550 0.002 0.000 0.291 353 Y C 1.918 177.848 175.900 0.050 0.000 1.137 353 Y CA 0.858 59.009 58.100 0.085 0.000 1.181 353 Y CB -0.168 38.384 38.460 0.153 0.000 0.989 353 Y HN 0.065 nan 8.280 nan 0.000 0.527 354 L N -0.300 121.025 121.223 0.170 0.000 2.093 354 L HA -0.235 4.107 4.340 0.002 0.000 0.208 354 L C 2.273 179.184 176.870 0.068 0.000 1.085 354 L CA 1.398 56.290 54.840 0.086 0.000 0.755 354 L CB -0.443 41.641 42.059 0.043 0.000 0.904 354 L HN 0.187 nan 8.230 nan 0.000 0.435 355 K N 0.162 120.596 120.400 0.057 0.000 2.057 355 K HA -0.154 4.167 4.320 0.002 0.000 0.207 355 K C 2.052 178.692 176.600 0.066 0.000 1.049 355 K CA 1.219 57.530 56.287 0.040 0.000 0.931 355 K CB -0.154 32.354 32.500 0.013 0.000 0.714 355 K HN 0.241 nan 8.250 nan 0.000 0.440 356 L N 0.623 121.901 121.223 0.092 0.000 2.179 356 L HA -0.104 4.238 4.340 0.002 0.000 0.208 356 L C 2.137 179.120 176.870 0.188 0.000 1.096 356 L CA 0.663 55.616 54.840 0.189 0.000 0.779 356 L CB -0.186 41.958 42.059 0.141 0.000 0.922 356 L HN 0.113 nan 8.230 nan 0.000 0.443 357 L N -0.712 120.592 121.223 0.135 0.000 2.156 357 L HA -0.124 4.217 4.340 0.002 0.000 0.208 357 L C 2.833 179.702 176.870 -0.002 0.000 1.095 357 L CA 1.099 55.990 54.840 0.085 0.000 0.770 357 L CB -0.468 41.659 42.059 0.114 0.000 0.914 357 L HN 0.370 nan 8.230 nan 0.000 0.439 358 S N -0.482 115.224 115.700 0.009 0.000 2.383 358 S HA -0.225 4.246 4.470 0.002 0.000 0.229 358 S C 2.142 176.702 174.600 -0.067 0.000 1.030 358 S CA 1.448 59.638 58.200 -0.017 0.000 1.002 358 S CB -0.728 62.471 63.200 -0.001 0.000 0.829 358 S HN 0.543 nan 8.310 nan 0.000 0.467 359 S N 1.110 116.749 115.700 -0.102 0.000 2.453 359 S HA -0.062 4.409 4.470 0.002 0.000 0.231 359 S C 0.845 175.266 174.600 -0.299 0.000 1.005 359 S CA 0.764 58.852 58.200 -0.187 0.000 0.949 359 S CB -0.909 62.148 63.200 -0.239 0.000 0.774 359 S HN 0.671 nan 8.310 nan 0.000 0.510 360 Q N -0.123 119.432 119.800 -0.407 0.000 2.457 360 Q HA -0.210 4.131 4.340 0.002 0.000 0.283 360 Q C 0.752 176.298 176.000 -0.755 0.000 1.234 360 Q CA 1.265 56.591 55.803 -0.795 0.000 0.877 360 Q CB -1.677 26.856 28.738 -0.340 0.000 1.250 360 Q HN 0.703 nan 8.270 nan 0.000 0.481 361 K N -0.757 119.214 120.400 -0.714 0.000 2.435 361 K HA 0.115 4.437 4.320 0.002 0.000 0.199 361 K C -0.503 175.713 176.600 -0.639 0.000 1.153 361 K CA 0.219 56.093 56.287 -0.689 0.000 0.974 361 K CB 0.697 32.645 32.500 -0.920 0.000 0.997 361 K HN 0.159 nan 8.250 nan 0.000 0.547 362 Y N 1.351 121.601 120.300 -0.083 0.000 2.420 362 Y HA 0.344 4.895 4.550 0.002 0.000 0.334 362 Y C -0.175 175.840 175.900 0.191 0.000 1.094 362 Y CA -1.095 57.026 58.100 0.035 0.000 1.126 362 Y CB 1.177 39.658 38.460 0.034 0.000 1.217 362 Y HN -0.129 nan 8.280 nan 0.000 0.462 363 Q N 2.966 123.009 119.800 0.406 0.000 2.296 363 Q HA 0.543 4.884 4.340 0.002 0.000 0.257 363 Q C -1.280 175.055 176.000 0.559 0.000 0.942 363 Q CA -0.219 55.847 55.803 0.438 0.000 0.939 363 Q CB 0.620 29.559 28.738 0.336 0.000 1.198 363 Q HN 0.660 nan 8.270 nan 0.000 0.429 364 I N 4.238 125.110 120.570 0.503 0.000 2.509 364 I HA 0.424 4.595 4.170 0.002 0.000 0.293 364 I C -1.059 175.273 176.117 0.357 0.000 1.020 364 I CA -1.071 60.500 61.300 0.452 0.000 1.088 364 I CB 1.783 40.034 38.000 0.417 0.000 1.267 364 I HN 0.444 nan 8.210 nan 0.000 0.430 365 L N 7.098 128.448 121.223 0.212 0.000 2.438 365 L HA 0.618 4.960 4.340 0.002 0.000 0.270 365 L C -1.864 175.011 176.870 0.010 0.000 0.972 365 L CA -0.321 54.544 54.840 0.042 0.000 0.831 365 L CB 1.769 43.701 42.059 -0.212 0.000 1.273 365 L HN 0.422 nan 8.230 nan 0.000 0.405 366 L N 6.240 127.468 121.223 0.008 0.000 2.325 366 L HA 0.578 4.920 4.340 0.002 0.000 0.281 366 L C -1.179 175.599 176.870 -0.154 0.000 1.004 366 L CA -0.273 54.542 54.840 -0.043 0.000 0.823 366 L CB 1.499 43.621 42.059 0.104 0.000 1.236 366 L HN 0.613 nan 8.230 nan 0.000 0.415 367 Y N 0.970 121.145 120.300 -0.209 0.000 2.391 367 Y HA 0.800 5.351 4.550 0.002 0.000 0.341 367 Y C -0.864 174.942 175.900 -0.157 0.000 0.965 367 Y CA -1.389 56.519 58.100 -0.319 0.000 1.067 367 Y CB 1.168 39.456 38.460 -0.287 0.000 1.199 367 Y HN 0.515 nan 8.280 nan 0.000 0.450 368 N N 1.325 120.006 118.700 -0.032 0.000 2.238 368 N HA 0.599 5.341 4.740 0.002 0.000 0.302 368 N C -0.580 175.049 175.510 0.199 0.000 1.072 368 N CA -0.641 52.479 53.050 0.118 0.000 0.792 368 N CB 2.152 40.805 38.487 0.277 0.000 1.425 368 N HN 1.048 nan 8.380 nan 0.000 0.478 369 G N -0.312 108.605 108.800 0.195 0.000 2.355 369 G HA2 0.131 4.093 3.960 0.002 0.000 0.276 369 G HA3 0.131 4.093 3.960 0.002 0.000 0.276 369 G C 0.334 175.377 174.900 0.239 0.000 1.198 369 G CA -0.490 44.727 45.100 0.195 0.000 0.876 369 G HN 0.769 nan 8.290 nan 0.000 0.478 370 D N 0.495 121.022 120.400 0.212 0.000 2.378 370 D HA -0.152 4.489 4.640 0.002 0.000 0.227 370 D C 1.704 178.251 176.300 0.411 0.000 1.012 370 D CA 0.753 54.900 54.000 0.244 0.000 0.905 370 D CB 0.080 40.793 40.800 -0.146 0.000 0.895 370 D HN 0.356 nan 8.370 nan 0.000 0.532 371 V N -3.155 116.957 119.914 0.330 0.000 3.276 371 V HA 0.255 4.376 4.120 0.002 0.000 0.319 371 V C -0.008 176.188 176.094 0.170 0.000 1.427 371 V CA -0.650 61.849 62.300 0.332 0.000 1.102 371 V CB -0.454 31.573 31.823 0.340 0.000 1.020 371 V HN -0.082 nan 8.190 nan 0.000 0.456 372 D N 0.722 121.193 120.400 0.118 0.000 2.256 372 D HA 0.433 5.074 4.640 0.002 0.000 0.250 372 D C 0.718 176.826 176.300 -0.320 0.000 1.093 372 D CA -0.117 53.875 54.000 -0.012 0.000 0.882 372 D CB 1.539 42.385 40.800 0.077 0.000 1.185 372 D HN 0.213 nan 8.370 nan 0.000 0.437 373 M N 2.581 121.983 119.600 -0.331 0.000 2.313 373 M HA 0.228 4.709 4.480 0.002 0.000 0.273 373 M C 1.414 177.517 176.300 -0.329 0.000 1.049 373 M CA -0.259 54.718 55.300 -0.538 0.000 1.004 373 M CB 0.721 33.087 32.600 -0.391 0.000 1.461 373 M HN 0.481 nan 8.290 nan 0.000 0.514 374 A N -0.026 122.664 122.820 -0.215 0.000 1.898 374 A HA -0.015 4.306 4.320 0.002 0.000 0.214 374 A C 1.120 178.592 177.584 -0.188 0.000 1.183 374 A CA 0.814 52.726 52.037 -0.209 0.000 0.622 374 A CB -0.121 18.688 19.000 -0.318 0.000 0.824 374 A HN 0.556 nan 8.150 nan 0.000 0.444 375 C N 1.099 120.330 119.300 -0.114 0.000 3.495 375 C HA 0.310 4.771 4.460 0.002 0.000 0.201 375 C C 0.095 175.008 174.990 -0.128 0.000 1.408 375 C CA -1.299 57.650 59.018 -0.115 0.000 1.367 375 C CB -1.734 25.976 27.740 -0.050 0.000 1.845 375 C HN 0.751 nan 8.230 nan 0.000 0.500 376 N N 0.229 118.771 118.700 -0.264 0.000 2.283 376 N HA -0.012 4.729 4.740 0.002 0.000 0.236 376 N C 0.795 176.215 175.510 -0.150 0.000 1.252 376 N CA 0.022 52.896 53.050 -0.294 0.000 0.856 376 N CB 0.342 38.434 38.487 -0.659 0.000 1.099 376 N HN 0.536 nan 8.380 nan 0.000 0.444 377 F N 0.800 120.781 119.950 0.052 0.000 2.202 377 F HA -0.131 4.398 4.527 0.002 0.000 0.301 377 F C 2.130 177.954 175.800 0.040 0.000 1.082 377 F CA 0.988 59.114 58.000 0.211 0.000 1.313 377 F CB -0.380 38.826 39.000 0.343 0.000 1.024 377 F HN 0.559 nan 8.300 nan 0.000 0.495 378 M N 1.150 119.888 119.600 -1.437 0.000 2.132 378 M HA 0.045 4.526 4.480 0.002 0.000 0.263 378 M C 2.411 178.056 176.300 -1.091 0.000 1.065 378 M CA 1.931 56.439 55.300 -1.320 0.000 1.122 378 M CB -0.788 30.975 32.600 -1.395 0.000 1.365 378 M HN 0.353 nan 8.290 nan 0.000 0.411 379 G N 0.009 108.343 108.800 -0.777 0.000 2.440 379 G HA2 -0.246 3.716 3.960 0.002 0.000 0.218 379 G HA3 -0.246 3.716 3.960 0.002 0.000 0.218 379 G C 1.117 175.887 174.900 -0.216 0.000 1.154 379 G CA 1.300 46.123 45.100 -0.460 0.000 0.767 379 G HN 0.443 nan 8.290 nan 0.000 0.552 380 D N -0.198 120.072 120.400 -0.217 0.000 2.234 380 D HA -0.021 4.620 4.640 0.002 0.000 0.205 380 D C 2.220 178.321 176.300 -0.331 0.000 0.962 380 D CA 0.684 54.627 54.000 -0.095 0.000 0.855 380 D CB 0.090 40.940 40.800 0.083 0.000 0.951 380 D HN 0.539 nan 8.370 nan 0.000 0.500 381 E N -0.381 119.355 120.200 -0.773 0.000 2.072 381 E HA -0.144 4.208 4.350 0.002 0.000 0.190 381 E C 1.758 178.216 176.600 -0.237 0.000 0.982 381 E CA 0.691 56.447 56.400 -1.075 0.000 0.803 381 E CB 0.062 29.219 29.700 -0.905 0.000 0.755 381 E HN 0.136 nan 8.360 nan 0.000 0.453 382 W N 0.311 121.444 121.300 -0.279 0.000 2.354 382 W HA -0.160 4.501 4.660 0.002 0.000 0.315 382 W C 2.178 178.609 176.519 -0.146 0.000 1.206 382 W CA 0.782 58.026 57.345 -0.169 0.000 1.290 382 W CB -1.507 27.880 29.460 -0.121 0.000 1.152 382 W HN 0.186 nan 8.180 nan 0.000 0.489 383 F N 0.783 120.748 119.950 0.024 0.000 2.091 383 F HA -0.291 4.237 4.527 0.002 0.000 0.299 383 F C 2.097 177.808 175.800 -0.148 0.000 1.103 383 F CA 2.343 60.300 58.000 -0.071 0.000 1.228 383 F CB -0.725 38.209 39.000 -0.109 0.000 0.984 383 F HN -0.307 nan 8.300 nan 0.000 0.477 384 V N 0.263 120.096 119.914 -0.134 0.000 2.515 384 V HA -0.247 3.874 4.120 0.002 0.000 0.250 384 V C 1.999 177.845 176.094 -0.414 0.000 1.058 384 V CA 2.024 64.162 62.300 -0.269 0.000 1.064 384 V CB -0.710 31.114 31.823 0.002 0.000 0.675 384 V HN 0.316 nan 8.190 nan 0.000 0.461 385 D N 0.477 120.734 120.400 -0.237 0.000 2.149 385 D HA -0.109 4.533 4.640 0.002 0.000 0.201 385 D C 2.418 178.545 176.300 -0.290 0.000 0.972 385 D CA 1.711 55.590 54.000 -0.202 0.000 0.835 385 D CB -0.226 40.569 40.800 -0.009 0.000 0.966 385 D HN 0.582 nan 8.370 nan 0.000 0.476 386 S N 0.182 115.706 115.700 -0.293 0.000 2.469 386 S HA -0.084 4.387 4.470 0.002 0.000 0.238 386 S C 2.078 176.471 174.600 -0.345 0.000 0.998 386 S CA 0.410 58.435 58.200 -0.292 0.000 0.957 386 S CB -0.543 62.500 63.200 -0.262 0.000 0.764 386 S HN 0.237 nan 8.310 nan 0.000 0.514 387 L N 0.876 121.823 121.223 -0.460 0.000 2.376 387 L HA 0.067 4.409 4.340 0.002 0.000 0.219 387 L C 0.429 177.120 176.870 -0.298 0.000 1.133 387 L CA 0.207 54.807 54.840 -0.400 0.000 0.816 387 L CB -0.867 40.919 42.059 -0.455 0.000 0.933 387 L HN 0.292 nan 8.230 nan 0.000 0.449 388 N N 1.134 119.640 118.700 -0.324 0.000 2.727 388 N HA -0.150 4.591 4.740 0.002 0.000 0.251 388 N C -0.278 175.129 175.510 -0.171 0.000 1.040 388 N CA 0.661 53.583 53.050 -0.214 0.000 0.712 388 N CB -0.588 37.822 38.487 -0.128 0.000 0.912 388 N HN 0.426 nan 8.380 nan 0.000 0.545 389 Q N 0.429 120.058 119.800 -0.284 0.000 2.185 389 Q HA 0.269 4.610 4.340 0.002 0.000 0.225 389 Q C 0.757 176.853 176.000 0.160 0.000 0.983 389 Q CA -0.480 55.269 55.803 -0.091 0.000 0.950 389 Q CB 1.248 29.907 28.738 -0.133 0.000 1.176 389 Q HN 0.277 nan 8.270 nan 0.000 0.510 390 K N 1.080 121.600 120.400 0.199 0.000 2.416 390 K HA 0.119 4.440 4.320 0.002 0.000 0.283 390 K C -0.159 176.625 176.600 0.307 0.000 1.037 390 K CA -0.009 56.407 56.287 0.215 0.000 0.995 390 K CB 0.335 32.911 32.500 0.125 0.000 0.938 390 K HN 0.569 nan 8.250 nan 0.000 0.475 391 M N 5.482 125.209 119.600 0.212 0.000 2.194 391 M HA 0.023 4.504 4.480 0.002 0.000 0.347 391 M C 0.271 176.544 176.300 -0.044 0.000 1.439 391 M CA 0.255 55.541 55.300 -0.024 0.000 1.131 391 M CB 0.821 33.357 32.600 -0.107 0.000 1.733 391 M HN 0.718 nan 8.290 nan 0.000 0.467 392 E N 3.640 123.792 120.200 -0.079 0.000 2.079 392 E HA 0.114 4.466 4.350 0.002 0.000 0.191 392 E C -0.202 176.359 176.600 -0.065 0.000 0.961 392 E CA 0.754 57.125 56.400 -0.047 0.000 0.823 392 E CB 0.341 30.024 29.700 -0.029 0.000 0.789 392 E HN 0.544 nan 8.360 nan 0.000 0.459 393 V N 2.980 122.833 119.914 -0.103 0.000 2.407 393 V HA 0.162 4.283 4.120 0.002 0.000 0.291 393 V C -0.511 175.521 176.094 -0.104 0.000 1.018 393 V CA -0.665 61.593 62.300 -0.069 0.000 0.842 393 V CB 1.575 33.386 31.823 -0.021 0.000 0.996 393 V HN 0.053 nan 8.190 nan 0.000 0.426 394 Q N 2.973 122.738 119.800 -0.059 0.000 2.364 394 Q HA 0.247 4.588 4.340 0.002 0.000 0.267 394 Q C 0.445 176.448 176.000 0.006 0.000 0.999 394 Q CA 0.242 56.019 55.803 -0.043 0.000 0.886 394 Q CB 0.317 29.049 28.738 -0.010 0.000 1.243 394 Q HN 0.515 nan 8.270 nan 0.000 0.415 395 R N 2.449 122.964 120.500 0.026 0.000 2.494 395 R HA -0.042 4.299 4.340 0.002 0.000 0.291 395 R C -0.359 176.046 176.300 0.174 0.000 0.953 395 R CA 0.758 56.926 56.100 0.113 0.000 1.098 395 R CB 0.146 30.520 30.300 0.124 0.000 0.911 395 R HN 0.737 nan 8.270 nan 0.000 0.407 396 R N 3.010 123.658 120.500 0.248 0.000 2.734 396 R HA 0.549 4.891 4.340 0.002 0.000 0.271 396 R C -3.060 173.401 176.300 0.269 0.000 1.021 396 R CA -2.063 54.191 56.100 0.256 0.000 0.893 396 R CB 1.345 31.730 30.300 0.143 0.000 1.244 396 R HN 0.283 nan 8.270 nan 0.000 0.464 397 P HA 0.170 nan 4.420 nan 0.000 0.277 397 P C -0.975 176.288 177.300 -0.061 0.000 1.240 397 P CA -0.479 62.400 63.100 -0.368 0.000 0.798 397 P CB 0.368 31.773 31.700 -0.491 0.000 0.979 398 W N 2.781 123.929 121.300 -0.253 0.000 2.719 398 W HA 0.694 5.355 4.660 0.002 0.000 0.352 398 W C -2.125 174.316 176.519 -0.130 0.000 1.085 398 W CA -1.130 56.145 57.345 -0.117 0.000 1.187 398 W CB 0.085 29.520 29.460 -0.042 0.000 1.417 398 W HN 0.134 nan 8.180 nan 0.000 0.557 399 L N 1.878 123.058 121.223 -0.071 0.000 2.319 399 L HA 0.802 5.143 4.340 0.002 0.000 0.267 399 L C -0.553 176.198 176.870 -0.198 0.000 1.011 399 L CA -1.396 53.311 54.840 -0.222 0.000 0.818 399 L CB 1.712 43.707 42.059 -0.107 0.000 1.316 399 L HN 0.174 nan 8.230 nan 0.000 0.432 400 V N 1.046 120.798 119.914 -0.270 0.000 2.686 400 V HA 0.303 4.424 4.120 0.002 0.000 0.306 400 V C -0.491 175.376 176.094 -0.378 0.000 1.065 400 V CA -0.822 61.275 62.300 -0.338 0.000 0.894 400 V CB 2.143 33.658 31.823 -0.513 0.000 1.004 400 V HN 0.594 nan 8.190 nan 0.000 0.424 401 K N 3.506 123.714 120.400 -0.320 0.000 2.285 401 K HA 0.476 4.797 4.320 0.002 0.000 0.286 401 K C -1.387 175.016 176.600 -0.328 0.000 1.072 401 K CA -0.270 55.891 56.287 -0.210 0.000 0.913 401 K CB 0.473 32.911 32.500 -0.104 0.000 1.067 401 K HN 0.562 nan 8.250 nan 0.000 0.479 402 Y N 0.988 121.269 120.300 -0.033 0.000 2.352 402 Y HA 0.203 4.755 4.550 0.002 0.000 0.326 402 Y C 1.503 177.397 175.900 -0.009 0.000 1.166 402 Y CA -0.044 58.041 58.100 -0.024 0.000 1.182 402 Y CB 1.771 40.204 38.460 -0.045 0.000 1.216 402 Y HN 0.802 nan 8.280 nan 0.000 0.474 403 G N 1.289 110.190 108.800 0.169 0.000 2.480 403 G HA2 -0.296 3.666 3.960 0.002 0.000 0.216 403 G HA3 -0.296 3.666 3.960 0.002 0.000 0.216 403 G C 1.099 176.053 174.900 0.089 0.000 1.200 403 G CA 1.343 46.504 45.100 0.101 0.000 0.782 403 G HN 0.770 nan 8.290 nan 0.000 0.554 404 D N 0.626 121.083 120.400 0.096 0.000 2.103 404 D HA -0.020 4.622 4.640 0.002 0.000 0.199 404 D C 2.339 178.662 176.300 0.038 0.000 0.978 404 D CA 1.460 55.489 54.000 0.049 0.000 0.829 404 D CB -0.848 39.964 40.800 0.020 0.000 0.981 404 D HN 0.303 nan 8.370 nan 0.000 0.464 405 S N -0.476 115.259 115.700 0.059 0.000 2.527 405 S HA 0.413 4.884 4.470 0.002 0.000 0.222 405 S C 1.289 175.932 174.600 0.070 0.000 0.985 405 S CA 0.288 58.506 58.200 0.030 0.000 0.921 405 S CB -0.165 63.000 63.200 -0.060 0.000 0.772 405 S HN 0.803 nan 8.310 nan 0.000 0.529 406 G N 1.969 110.831 108.800 0.103 0.000 2.693 406 G HA2 -0.276 3.685 3.960 0.002 0.000 0.226 406 G HA3 -0.276 3.685 3.960 0.002 0.000 0.226 406 G C -0.480 174.474 174.900 0.089 0.000 1.354 406 G CA -0.391 44.748 45.100 0.066 0.000 0.873 406 G HN 0.423 nan 8.290 nan 0.000 0.562 407 E N 0.383 120.603 120.200 0.034 0.000 2.299 407 E HA 0.404 4.755 4.350 0.002 0.000 0.272 407 E C 0.203 176.817 176.600 0.024 0.000 1.043 407 E CA 0.079 56.485 56.400 0.010 0.000 0.895 407 E CB 0.267 29.954 29.700 -0.022 0.000 1.011 407 E HN 0.406 nan 8.360 nan 0.000 0.432 408 Q N 3.134 122.964 119.800 0.050 0.000 2.458 408 Q HA 0.382 4.724 4.340 0.002 0.000 0.282 408 Q C -0.330 175.603 176.000 -0.111 0.000 1.106 408 Q CA -0.958 54.850 55.803 0.008 0.000 0.814 408 Q CB 1.682 30.465 28.738 0.075 0.000 1.425 408 Q HN 0.641 nan 8.270 nan 0.000 0.437 409 I N 1.618 122.078 120.570 -0.183 0.000 2.436 409 I HA 0.033 4.205 4.170 0.002 0.000 0.289 409 I C 0.910 176.762 176.117 -0.442 0.000 1.083 409 I CA 0.165 61.258 61.300 -0.345 0.000 1.372 409 I CB 0.986 38.776 38.000 -0.350 0.000 1.408 409 I HN 0.739 nan 8.210 nan 0.000 0.516 410 A N 5.201 127.561 122.820 -0.766 0.000 2.195 410 A HA 0.537 4.858 4.320 0.002 0.000 0.210 410 A C 0.979 178.024 177.584 -0.898 0.000 1.165 410 A CA 0.754 52.237 52.037 -0.924 0.000 0.806 410 A CB 0.001 18.129 19.000 -1.453 0.000 0.847 410 A HN 0.923 nan 8.150 nan 0.000 0.482 411 G N -1.964 106.276 108.800 -0.934 0.000 2.351 411 G HA2 0.385 4.346 3.960 0.002 0.000 0.279 411 G HA3 0.385 4.346 3.960 0.002 0.000 0.279 411 G C -1.481 173.181 174.900 -0.397 0.000 1.297 411 G CA -0.813 44.070 45.100 -0.361 0.000 0.886 411 G HN 0.191 nan 8.290 nan 0.000 0.493 412 F N -0.525 119.591 119.950 0.278 0.000 2.551 412 F HA 0.746 5.275 4.527 0.003 0.000 0.316 412 F C 0.180 176.144 175.800 0.273 0.000 1.089 412 F CA -0.859 57.312 58.000 0.284 0.000 0.915 412 F CB 2.463 41.559 39.000 0.161 0.000 1.186 412 F HN 0.412 nan 8.300 nan 0.000 0.456 413 V N 3.784 123.911 119.914 0.354 0.000 2.656 413 V HA 0.585 4.707 4.120 0.002 0.000 0.307 413 V C -1.330 174.860 176.094 0.159 0.000 1.051 413 V CA -0.621 61.756 62.300 0.128 0.000 0.893 413 V CB 1.854 33.638 31.823 -0.066 0.000 0.999 413 V HN 0.795 nan 8.190 nan 0.000 0.426 414 K N 5.249 125.735 120.400 0.142 0.000 2.376 414 K HA 0.592 4.914 4.320 0.002 0.000 0.257 414 K C -0.831 175.750 176.600 -0.031 0.000 0.939 414 K CA -0.525 55.792 56.287 0.051 0.000 0.809 414 K CB 1.718 34.297 32.500 0.132 0.000 1.121 414 K HN 0.803 nan 8.250 nan 0.000 0.425 415 E N 3.571 123.672 120.200 -0.165 0.000 2.199 415 E HA 0.368 4.719 4.350 0.002 0.000 0.269 415 E C -1.123 175.286 176.600 -0.318 0.000 0.899 415 E CA -0.711 55.626 56.400 -0.105 0.000 0.772 415 E CB 1.359 31.069 29.700 0.016 0.000 1.155 415 E HN 0.354 nan 8.360 nan 0.000 0.408 416 F N -0.170 119.826 119.950 0.077 0.000 2.618 416 F HA 0.270 4.799 4.527 0.002 0.000 0.332 416 F C 0.515 176.333 175.800 0.030 0.000 1.061 416 F CA -1.008 57.024 58.000 0.053 0.000 0.974 416 F CB 1.439 40.474 39.000 0.058 0.000 1.310 416 F HN 0.187 nan 8.300 nan 0.000 0.491 417 S N 0.519 116.354 115.700 0.225 0.000 2.509 417 S HA 0.085 4.556 4.470 0.002 0.000 0.287 417 S C -0.217 174.447 174.600 0.107 0.000 1.248 417 S CA 0.291 58.524 58.200 0.054 0.000 1.089 417 S CB -0.755 62.505 63.200 0.099 0.000 0.900 417 S HN 0.823 nan 8.310 nan 0.000 0.496 418 H N -0.558 118.608 119.070 0.160 0.000 3.395 418 H HA -0.181 4.376 4.556 0.002 0.000 0.222 418 H C -0.288 175.174 175.328 0.225 0.000 1.099 418 H CA 1.235 57.388 56.048 0.174 0.000 1.182 418 H CB -1.152 28.694 29.762 0.139 0.000 1.188 418 H HN 0.612 nan 8.280 nan 0.000 0.317 419 I N -0.208 120.545 120.570 0.305 0.000 2.649 419 I HA 0.611 4.783 4.170 0.002 0.000 0.289 419 I C -1.281 175.046 176.117 0.350 0.000 1.222 419 I CA -0.523 60.960 61.300 0.305 0.000 1.046 419 I CB 1.343 39.480 38.000 0.228 0.000 1.272 419 I HN 0.170 nan 8.210 nan 0.000 0.425 420 A N 6.412 129.405 122.820 0.287 0.000 2.355 420 A HA 0.757 5.078 4.320 0.002 0.000 0.317 420 A C -1.691 176.003 177.584 0.184 0.000 1.094 420 A CA -0.410 51.766 52.037 0.232 0.000 0.764 420 A CB 1.215 20.314 19.000 0.166 0.000 1.230 420 A HN 0.614 nan 8.150 nan 0.000 0.448 421 F N 2.300 122.311 119.950 0.102 0.000 2.469 421 F HA 0.774 5.303 4.527 0.003 0.000 0.332 421 F C -0.892 174.909 175.800 0.002 0.000 1.103 421 F CA -1.123 56.925 58.000 0.080 0.000 0.979 421 F CB 1.435 40.539 39.000 0.174 0.000 1.137 421 F HN 0.602 nan 8.300 nan 0.000 0.463 422 L N 5.419 125.994 121.223 -1.080 0.000 2.482 422 L HA 0.610 4.952 4.340 0.002 0.000 0.263 422 L C -1.047 175.428 176.870 -0.658 0.000 0.957 422 L CA -0.322 54.083 54.840 -0.725 0.000 0.836 422 L CB 2.329 43.924 42.059 -0.773 0.000 1.324 422 L HN 0.832 nan 8.230 nan 0.000 0.406 423 T N 1.368 115.823 114.554 -0.165 0.000 2.925 423 T HA 0.720 5.071 4.350 0.002 0.000 0.285 423 T C -0.489 174.383 174.700 0.288 0.000 1.021 423 T CA -0.595 61.543 62.100 0.064 0.000 1.042 423 T CB 1.645 70.611 68.868 0.164 0.000 1.037 423 T HN 0.341 nan 8.240 nan 0.000 0.481 424 I N 1.842 122.553 120.570 0.236 0.000 2.390 424 I HA 0.361 4.532 4.170 0.002 0.000 0.283 424 I C 0.307 176.503 176.117 0.133 0.000 1.016 424 I CA -0.577 60.875 61.300 0.253 0.000 1.151 424 I CB 1.552 39.705 38.000 0.255 0.000 1.293 424 I HN 0.673 nan 8.210 nan 0.000 0.458 425 K N 4.808 125.240 120.400 0.053 0.000 2.436 425 K HA 0.323 4.644 4.320 0.002 0.000 0.282 425 K C 1.244 177.867 176.600 0.039 0.000 1.044 425 K CA 1.153 57.458 56.287 0.030 0.000 1.028 425 K CB 0.154 32.637 32.500 -0.028 0.000 0.919 425 K HN 0.896 nan 8.250 nan 0.000 0.474 426 G N 1.997 110.848 108.800 0.085 0.000 2.179 426 G HA2 -0.302 3.659 3.960 0.002 0.000 0.260 426 G HA3 -0.302 3.659 3.960 0.002 0.000 0.260 426 G C 0.068 175.044 174.900 0.126 0.000 0.977 426 G CA 0.174 45.337 45.100 0.105 0.000 0.641 426 G HN 0.880 nan 8.290 nan 0.000 0.533 427 A N -0.051 122.845 122.820 0.127 0.000 2.293 427 A HA 0.892 5.213 4.320 0.002 0.000 0.302 427 A C 1.031 178.705 177.584 0.149 0.000 1.119 427 A CA 0.892 53.006 52.037 0.128 0.000 0.823 427 A CB 1.011 20.088 19.000 0.128 0.000 1.097 427 A HN 1.586 nan 8.150 nan 0.000 0.491 428 G N -1.225 107.654 108.800 0.132 0.000 2.782 428 G HA2 0.356 4.317 3.960 0.002 0.000 0.201 428 G HA3 0.356 4.317 3.960 0.002 0.000 0.201 428 G C 0.739 175.708 174.900 0.115 0.000 1.374 428 G CA 0.350 45.531 45.100 0.135 0.000 1.039 428 G HN 0.881 nan 8.290 nan 0.000 0.576 429 H N -0.372 118.659 119.070 -0.065 0.000 2.319 429 H HA 0.032 4.589 4.556 0.002 0.000 0.297 429 H C 1.515 176.740 175.328 -0.173 0.000 1.097 429 H CA 1.544 57.460 56.048 -0.220 0.000 1.285 429 H CB -0.106 29.279 29.762 -0.628 0.000 1.368 429 H HN 0.118 nan 8.280 nan 0.000 0.495 430 M N 0.356 119.914 119.600 -0.071 0.000 3.028 430 M HA 0.075 4.557 4.480 0.002 0.000 0.296 430 M C 1.059 177.356 176.300 -0.005 0.000 1.314 430 M CA -0.440 54.815 55.300 -0.074 0.000 1.383 430 M CB 1.367 33.934 32.600 -0.056 0.000 1.128 430 M HN 0.002 nan 8.290 nan 0.000 0.544 431 V N 2.883 122.829 119.914 0.053 0.000 2.277 431 V HA -0.234 3.887 4.120 0.002 0.000 0.253 431 V C -0.675 175.459 176.094 0.066 0.000 1.067 431 V CA 2.244 64.614 62.300 0.115 0.000 1.047 431 V CB -1.296 30.684 31.823 0.262 0.000 0.649 431 V HN 0.574 nan 8.190 nan 0.000 0.447 432 P HA -0.062 nan 4.420 nan 0.000 0.219 432 P C 1.739 178.998 177.300 -0.068 0.000 1.150 432 P CA 1.376 64.441 63.100 -0.060 0.000 0.814 432 P CB -0.152 31.364 31.700 -0.308 0.000 0.787 433 T N -0.573 113.928 114.554 -0.087 0.000 2.737 433 T HA -0.121 4.230 4.350 0.002 0.000 0.265 433 T C 1.305 176.002 174.700 -0.005 0.000 1.038 433 T CA 1.584 63.651 62.100 -0.054 0.000 1.144 433 T CB -0.924 67.919 68.868 -0.043 0.000 0.866 433 T HN 0.125 nan 8.240 nan 0.000 0.434 434 D N 0.962 121.373 120.400 0.018 0.000 2.103 434 D HA 0.000 4.642 4.640 0.002 0.000 0.199 434 D C 0.894 177.212 176.300 0.030 0.000 0.978 434 D CA 1.077 55.100 54.000 0.038 0.000 0.829 434 D CB 0.117 40.956 40.800 0.065 0.000 0.981 434 D HN 0.238 nan 8.370 nan 0.000 0.464 435 K N 0.751 121.173 120.400 0.037 0.000 2.842 435 K HA 0.188 4.509 4.320 0.002 0.000 0.176 435 K C -2.054 174.554 176.600 0.014 0.000 1.080 435 K CA -1.340 54.965 56.287 0.031 0.000 0.954 435 K CB 2.365 34.906 32.500 0.069 0.000 1.203 435 K HN -0.019 nan 8.250 nan 0.000 0.611 436 P HA -0.214 nan 4.420 nan 0.000 0.216 436 P C 1.372 178.558 177.300 -0.191 0.000 1.153 436 P CA 0.845 63.898 63.100 -0.077 0.000 0.858 436 P CB 0.453 32.107 31.700 -0.077 0.000 0.789 437 L N -0.251 120.683 121.223 -0.481 0.000 2.109 437 L HA 0.040 4.381 4.340 0.002 0.000 0.207 437 L C 2.508 179.378 176.870 0.000 0.000 1.086 437 L CA 1.850 56.454 54.840 -0.394 0.000 0.760 437 L CB -1.576 40.210 42.059 -0.456 0.000 0.910 437 L HN -0.100 nan 8.230 nan 0.000 0.437 438 A N -0.368 122.486 122.820 0.057 0.000 1.873 438 A HA -0.072 4.249 4.320 0.002 0.000 0.215 438 A C 2.464 180.227 177.584 0.299 0.000 1.186 438 A CA 1.753 53.901 52.037 0.186 0.000 0.616 438 A CB -1.191 17.903 19.000 0.156 0.000 0.823 438 A HN 0.545 nan 8.150 nan 0.000 0.442 439 A N -1.048 121.910 122.820 0.231 0.000 1.883 439 A HA -0.112 4.209 4.320 0.002 0.000 0.217 439 A C 2.095 179.813 177.584 0.222 0.000 1.186 439 A CA 1.759 53.937 52.037 0.236 0.000 0.624 439 A CB -0.801 18.393 19.000 0.323 0.000 0.822 439 A HN 0.751 nan 8.150 nan 0.000 0.444 440 F N 1.359 121.446 119.950 0.227 0.000 2.171 440 F HA -0.129 4.399 4.527 0.002 0.000 0.300 440 F C 2.418 178.229 175.800 0.019 0.000 1.090 440 F CA 2.193 60.258 58.000 0.108 0.000 1.293 440 F CB -0.581 38.564 39.000 0.242 0.000 1.013 440 F HN 0.207 nan 8.300 nan 0.000 0.486 441 T N 1.448 116.047 114.554 0.074 0.000 2.746 441 T HA -0.257 4.094 4.350 0.002 0.000 0.267 441 T C 2.085 176.721 174.700 -0.106 0.000 1.039 441 T CA 1.705 63.818 62.100 0.021 0.000 1.142 441 T CB -0.387 68.605 68.868 0.206 0.000 0.866 441 T HN 0.376 nan 8.240 nan 0.000 0.444 442 M N 0.299 119.837 119.600 -0.104 0.000 2.059 442 M HA -0.094 4.388 4.480 0.002 0.000 0.259 442 M C 2.132 178.263 176.300 -0.282 0.000 1.072 442 M CA 1.837 56.956 55.300 -0.302 0.000 1.117 442 M CB -0.427 31.877 32.600 -0.494 0.000 1.320 442 M HN 0.265 nan 8.290 nan 0.000 0.408 443 F N 0.624 120.170 119.950 -0.673 0.000 2.115 443 F HA -0.282 4.246 4.527 0.002 0.000 0.300 443 F C 2.701 178.095 175.800 -0.677 0.000 1.092 443 F CA 2.231 59.704 58.000 -0.878 0.000 1.245 443 F CB -0.851 37.087 39.000 -1.770 0.000 0.995 443 F HN 0.277 nan 8.300 nan 0.000 0.481 444 S N -0.263 114.929 115.700 -0.847 0.000 2.383 444 S HA -0.155 4.316 4.470 0.002 0.000 0.227 444 S C 2.191 176.461 174.600 -0.548 0.000 1.026 444 S CA 1.269 58.989 58.200 -0.799 0.000 0.981 444 S CB -0.277 62.475 63.200 -0.748 0.000 0.818 444 S HN 0.494 nan 8.310 nan 0.000 0.472 445 R N -0.767 119.489 120.500 -0.407 0.000 2.115 445 R HA 0.034 4.375 4.340 0.002 0.000 0.226 445 R C 2.019 178.056 176.300 -0.439 0.000 1.100 445 R CA 1.349 57.212 56.100 -0.394 0.000 0.980 445 R CB -0.401 29.675 30.300 -0.374 0.000 0.875 445 R HN 0.530 nan 8.270 nan 0.000 0.445 446 F N 1.507 121.185 119.950 -0.454 0.000 2.039 446 F HA -0.142 4.387 4.527 0.003 0.000 0.294 446 F C 1.810 177.312 175.800 -0.496 0.000 1.130 446 F CA 1.408 59.204 58.000 -0.341 0.000 1.189 446 F CB -0.598 38.242 39.000 -0.266 0.000 0.983 446 F HN -0.144 nan 8.300 nan 0.000 0.471 447 L N 0.568 121.187 121.223 -1.007 0.000 2.043 447 L HA -0.299 4.042 4.340 0.002 0.000 0.212 447 L C 1.599 178.063 176.870 -0.677 0.000 1.075 447 L CA 1.783 55.924 54.840 -1.165 0.000 0.752 447 L CB -0.855 40.523 42.059 -1.135 0.000 0.891 447 L HN 0.307 nan 8.230 nan 0.000 0.432 448 N N 0.259 118.649 118.700 -0.518 0.000 2.370 448 N HA -0.025 4.716 4.740 0.002 0.000 0.198 448 N C -0.043 175.295 175.510 -0.287 0.000 1.156 448 N CA 0.106 52.952 53.050 -0.340 0.000 0.839 448 N CB 0.310 38.627 38.487 -0.284 0.000 0.989 448 N HN 0.218 nan 8.380 nan 0.000 0.468 449 K N 0.853 121.054 120.400 -0.331 0.000 3.077 449 K HA -0.213 4.109 4.320 0.002 0.000 0.264 449 K C -0.540 175.897 176.600 -0.271 0.000 1.008 449 K CA 0.731 56.861 56.287 -0.263 0.000 0.740 449 K CB -1.246 31.154 32.500 -0.166 0.000 1.273 449 K HN 0.499 nan 8.250 nan 0.000 0.477 450 Q N 0.386 119.976 119.800 -0.351 0.000 2.226 450 Q HA 0.359 4.700 4.340 0.002 0.000 0.256 450 Q C -2.202 173.536 176.000 -0.435 0.000 0.962 450 Q CA -2.078 53.538 55.803 -0.312 0.000 0.887 450 Q CB 1.251 29.828 28.738 -0.268 0.000 1.282 450 Q HN 0.036 nan 8.270 nan 0.000 0.449 451 P HA -0.083 nan 4.420 nan 0.000 0.268 451 P C -1.045 176.073 177.300 -0.303 0.000 1.204 451 P CA 0.341 63.271 63.100 -0.283 0.000 0.768 451 P CB 0.400 32.026 31.700 -0.123 0.000 0.842 452 Y N 0.000 120.247 120.300 -0.089 0.000 2.660 452 Y HA 0.000 4.552 4.550 0.003 0.000 0.201 452 Y CA 0.000 58.027 58.100 -0.122 0.000 1.940 452 Y CB 0.000 38.272 38.460 -0.314 0.000 1.050 452 Y HN 0.000 nan 8.280 nan 0.000 0.758