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 1fnm_1_A DATA FIRST_RESID 6 DATA SEQUENCE EYDLKRLRNI GIAAHIDAGK TTTTERILYY TGRIXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXAVTTCFWK DHRINIIDTP GHVDFTIEVE RSMRVLDGAI DATA SEQUENCE VVFDSSQGVE PQSETVWRQA EKYKVPRIAF ANKMDKTGAD LWLVIRTMQE DATA SEQUENCE RLGARPVVMQ LPIGREDTFS GIIDVLRMKA YTYGNDLGTD IREIPIPEEY DATA SEQUENCE LDQAREYHEK LVEVAADFDE NIMLKYLEGE EPTEEELVAA IRKGTIDLKI DATA SEQUENCE TPVFLGSALK NKGVQLLLDA VVDYLPSPLD IPPIKGTTPE GEVVEIHPDP DATA SEQUENCE NGPLAALAFK IMADPYVGRL TFIRVYSGTL TSGSYVYNTT KGRKERVARL DATA SEQUENCE LRMHANHREE VEELKAGDLG AVVGLKETIT GDTLVGEDAP RVILESIEVP DATA SEQUENCE EPVIDVAIEP KTKADQEKLS QALARLAEED PTFRVSTHPE TGQTIISGMG DATA SEQUENCE ELHLEIIVDR LKREFKVDAN VGKPQVAYRE TITKPVDVEG KFIRQTGGRG DATA SEQUENCE QYGHVKIKVE PLPRGSGFEF VNAIVGGVIP KEYIPAVQKG IEEAMQSGPL DATA SEQUENCE IGFPVVDIKV TLYDGSYAEV DSSEMAFKIA GSMAIKEAVQ KGDPVILEPI DATA SEQUENCE MRVEVTTPEE YMGDVIGDLN ARRGQILGME PRGNAQVIRA FVPLAEMFGY DATA SEQUENCE ATDLRSKTQG RGSFVMFFDH YQEVPKQVQE KLI 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 6 E HA 0.000 nan 4.350 nan 0.000 0.291 6 E C 0.000 176.695 176.600 0.159 0.000 1.382 6 E CA 0.000 56.451 56.400 0.085 0.000 0.976 6 E CB 0.000 29.749 29.700 0.081 0.000 0.812 7 Y N 1.062 121.375 120.300 0.022 0.000 2.393 7 Y HA 0.656 5.210 4.550 0.007 0.000 0.341 7 Y C -1.591 174.310 175.900 0.002 0.000 0.988 7 Y CA -0.900 57.212 58.100 0.021 0.000 1.078 7 Y CB 1.790 40.262 38.460 0.020 0.000 1.203 7 Y HN -0.054 nan 8.280 nan 0.000 0.453 8 D N 5.508 125.464 120.400 -0.740 0.000 2.296 8 D HA 0.138 4.782 4.640 0.007 0.000 0.224 8 D C -0.037 175.926 176.300 -0.560 0.000 1.324 8 D CA -0.334 53.283 54.000 -0.638 0.000 0.940 8 D CB 0.524 41.152 40.800 -0.286 0.000 1.492 8 D HN 0.686 nan 8.370 nan 0.000 0.531 9 L N 2.676 123.519 121.223 -0.634 0.000 2.026 9 L HA -0.320 4.024 4.340 0.007 0.000 0.231 9 L C 2.263 179.030 176.870 -0.173 0.000 1.095 9 L CA 1.723 56.385 54.840 -0.298 0.000 0.810 9 L CB -0.446 41.520 42.059 -0.156 0.000 0.909 9 L HN 0.455 nan 8.230 nan 0.000 0.444 10 K N -0.500 119.813 120.400 -0.146 0.000 2.259 10 K HA -0.226 4.098 4.320 0.007 0.000 0.206 10 K C 1.577 178.129 176.600 -0.081 0.000 1.044 10 K CA 1.556 57.792 56.287 -0.085 0.000 0.931 10 K CB -0.206 32.248 32.500 -0.078 0.000 0.726 10 K HN 0.366 nan 8.250 nan 0.000 0.467 11 R N -0.055 120.342 120.500 -0.170 0.000 2.613 11 R HA 0.163 4.507 4.340 0.007 0.000 0.361 11 R C -0.688 175.547 176.300 -0.110 0.000 1.072 11 R CA -0.386 55.558 56.100 -0.260 0.000 1.089 11 R CB 0.418 30.367 30.300 -0.586 0.000 1.343 11 R HN -0.040 nan 8.270 nan 0.000 0.571 12 L N 0.595 121.783 121.223 -0.059 0.000 2.360 12 L HA 0.406 4.750 4.340 0.007 0.000 0.271 12 L C -0.321 176.554 176.870 0.009 0.000 1.057 12 L CA -0.350 54.474 54.840 -0.026 0.000 0.803 12 L CB 1.204 43.242 42.059 -0.036 0.000 1.207 12 L HN -0.064 nan 8.230 nan 0.000 0.445 13 R N 2.493 122.988 120.500 -0.010 0.000 2.985 13 R HA 0.338 4.683 4.340 0.007 0.000 0.259 13 R C -1.397 174.865 176.300 -0.063 0.000 1.815 13 R CA -0.307 55.780 56.100 -0.021 0.000 1.278 13 R CB 0.137 30.438 30.300 0.002 0.000 1.403 13 R HN 0.600 nan 8.270 nan 0.000 0.534 14 N N 5.182 123.840 118.700 -0.070 0.000 2.402 14 N HA 0.212 4.956 4.740 0.007 0.000 0.252 14 N C 0.078 175.524 175.510 -0.106 0.000 1.118 14 N CA 0.015 53.007 53.050 -0.098 0.000 0.945 14 N CB 0.900 39.322 38.487 -0.107 0.000 1.147 14 N HN 0.556 nan 8.380 nan 0.000 0.495 15 I N -2.041 118.458 120.570 -0.119 0.000 3.237 15 I HA 0.925 5.099 4.170 0.007 0.000 0.308 15 I C 0.131 176.167 176.117 -0.136 0.000 1.093 15 I CA -1.212 60.015 61.300 -0.122 0.000 1.001 15 I CB 2.269 40.194 38.000 -0.126 0.000 1.245 15 I HN 0.288 nan 8.210 nan 0.000 0.485 16 G N 2.658 111.378 108.800 -0.132 0.000 2.608 16 G HA2 0.570 4.534 3.960 0.007 0.000 0.285 16 G HA3 0.570 4.534 3.960 0.007 0.000 0.285 16 G C -1.421 173.404 174.900 -0.125 0.000 1.407 16 G CA -0.416 44.602 45.100 -0.136 0.000 1.276 16 G HN 0.409 nan 8.290 nan 0.000 0.587 17 I N 1.795 122.292 120.570 -0.122 0.000 2.529 17 I HA 0.594 4.768 4.170 0.007 0.000 0.284 17 I C 0.719 176.768 176.117 -0.113 0.000 1.082 17 I CA -0.053 61.180 61.300 -0.111 0.000 1.406 17 I CB 1.617 39.556 38.000 -0.102 0.000 1.405 17 I HN 0.672 nan 8.210 nan 0.000 0.548 18 A N 4.846 127.597 122.820 -0.115 0.000 2.455 18 A HA 0.986 5.310 4.320 0.007 0.000 0.300 18 A C -0.966 176.531 177.584 -0.145 0.000 1.040 18 A CA -0.174 51.790 52.037 -0.123 0.000 0.697 18 A CB 1.550 20.482 19.000 -0.114 0.000 1.265 18 A HN 0.991 nan 8.150 nan 0.000 0.407 19 A N 1.119 123.856 122.820 -0.138 0.000 2.599 19 A HA 0.698 5.022 4.320 0.007 0.000 0.290 19 A C -0.854 176.673 177.584 -0.094 0.000 1.101 19 A CA -0.592 51.359 52.037 -0.143 0.000 0.674 19 A CB 0.505 19.429 19.000 -0.127 0.000 1.277 19 A HN 1.209 nan 8.150 nan 0.000 0.419 20 H N 0.677 119.675 119.070 -0.120 0.000 2.815 20 H HA 0.235 4.795 4.556 0.007 0.000 0.350 20 H C 0.283 175.552 175.328 -0.097 0.000 1.080 20 H CA 0.543 56.535 56.048 -0.093 0.000 1.433 20 H CB 0.643 30.385 29.762 -0.033 0.000 1.432 20 H HN 0.699 nan 8.280 nan 0.000 0.592 21 I N 3.653 123.940 120.570 -0.471 0.000 3.017 21 I HA -0.243 3.932 4.170 0.007 0.000 0.310 21 I C 1.024 177.153 176.117 0.021 0.000 1.220 21 I CA 1.352 62.517 61.300 -0.225 0.000 1.450 21 I CB -0.157 37.695 38.000 -0.247 0.000 1.317 21 I HN 1.020 nan 8.210 nan 0.000 0.570 22 D N 2.765 123.170 120.400 0.009 0.000 3.059 22 D HA -0.271 4.373 4.640 0.007 0.000 0.213 22 D C 1.171 177.497 176.300 0.042 0.000 1.144 22 D CA 1.458 55.480 54.000 0.037 0.000 0.975 22 D CB -0.958 39.879 40.800 0.062 0.000 1.125 22 D HN 0.798 nan 8.370 nan 0.000 0.412 23 A N -0.211 122.636 122.820 0.044 0.000 2.016 23 A HA 0.486 4.811 4.320 0.007 0.000 0.217 23 A C 1.971 179.558 177.584 0.006 0.000 1.162 23 A CA 1.706 53.760 52.037 0.029 0.000 0.662 23 A CB 0.061 19.079 19.000 0.030 0.000 0.812 23 A HN 1.186 nan 8.150 nan 0.000 0.450 24 G N -0.911 107.891 108.800 0.004 0.000 2.215 24 G HA2 -0.117 3.847 3.960 0.007 0.000 0.187 24 G HA3 -0.117 3.847 3.960 0.007 0.000 0.187 24 G C 0.712 175.622 174.900 0.017 0.000 1.039 24 G CA 0.603 45.715 45.100 0.018 0.000 0.771 24 G HN 0.439 nan 8.290 nan 0.000 0.507 25 K N 0.183 120.573 120.400 -0.017 0.000 1.985 25 K HA -0.073 4.251 4.320 0.007 0.000 0.210 25 K C 2.373 178.951 176.600 -0.037 0.000 1.047 25 K CA 2.108 58.372 56.287 -0.037 0.000 0.932 25 K CB -0.371 32.087 32.500 -0.071 0.000 0.716 25 K HN 0.175 nan 8.250 nan 0.000 0.439 26 T N 0.742 115.272 114.554 -0.039 0.000 2.684 26 T HA -0.131 4.223 4.350 0.007 0.000 0.267 26 T C 1.845 176.532 174.700 -0.022 0.000 1.036 26 T CA 2.089 64.166 62.100 -0.038 0.000 1.148 26 T CB -0.539 68.307 68.868 -0.037 0.000 0.863 26 T HN 0.422 nan 8.240 nan 0.000 0.436 27 T N 1.679 116.230 114.554 -0.006 0.000 2.684 27 T HA -0.127 4.227 4.350 0.007 0.000 0.267 27 T C 2.277 176.987 174.700 0.018 0.000 1.036 27 T CA 1.686 63.791 62.100 0.009 0.000 1.148 27 T CB -0.787 68.095 68.868 0.023 0.000 0.863 27 T HN 0.375 nan 8.240 nan 0.000 0.436 28 T N 1.770 116.339 114.554 0.025 0.000 2.788 28 T HA -0.111 4.243 4.350 0.007 0.000 0.268 28 T C 2.273 176.942 174.700 -0.053 0.000 1.044 28 T CA 1.631 63.733 62.100 0.003 0.000 1.139 28 T CB -0.606 68.279 68.868 0.028 0.000 0.867 28 T HN 0.425 nan 8.240 nan 0.000 0.454 29 T N 1.543 116.066 114.554 -0.051 0.000 2.777 29 T HA -0.062 4.292 4.350 0.007 0.000 0.266 29 T C 1.937 176.616 174.700 -0.035 0.000 1.040 29 T CA 0.851 62.912 62.100 -0.066 0.000 1.141 29 T CB -0.164 68.662 68.868 -0.070 0.000 0.868 29 T HN 0.319 nan 8.240 nan 0.000 0.444 30 E N 1.296 121.487 120.200 -0.014 0.000 2.051 30 E HA -0.149 4.205 4.350 0.007 0.000 0.192 30 E C 2.359 178.990 176.600 0.052 0.000 0.991 30 E CA 0.932 57.338 56.400 0.010 0.000 0.799 30 E CB -0.024 29.675 29.700 -0.001 0.000 0.748 30 E HN 0.186 nan 8.360 nan 0.000 0.449 31 R N 0.321 120.857 120.500 0.060 0.000 2.148 31 R HA -0.019 4.326 4.340 0.007 0.000 0.227 31 R C 2.457 178.870 176.300 0.189 0.000 1.103 31 R CA 0.447 56.638 56.100 0.151 0.000 0.983 31 R CB -0.545 29.848 30.300 0.154 0.000 0.874 31 R HN 0.368 nan 8.270 nan 0.000 0.451 32 I N 0.361 120.951 120.570 0.034 0.000 2.202 32 I HA -0.261 3.913 4.170 0.007 0.000 0.242 32 I C 1.854 177.972 176.117 0.002 0.000 1.091 32 I CA 0.856 62.121 61.300 -0.059 0.000 1.368 32 I CB -0.218 37.687 38.000 -0.158 0.000 1.058 32 I HN 0.045 nan 8.210 nan 0.000 0.410 33 L N 0.012 121.250 121.223 0.026 0.000 2.127 33 L HA -0.252 4.092 4.340 0.007 0.000 0.211 33 L C 2.366 179.299 176.870 0.105 0.000 1.089 33 L CA 1.814 56.687 54.840 0.056 0.000 0.757 33 L CB -1.531 40.559 42.059 0.051 0.000 0.899 33 L HN 0.287 nan 8.230 nan 0.000 0.434 34 Y N -0.727 119.570 120.300 -0.005 0.000 2.092 34 Y HA -0.281 4.273 4.550 0.007 0.000 0.282 34 Y C 2.628 178.499 175.900 -0.048 0.000 1.126 34 Y CA 1.453 59.516 58.100 -0.063 0.000 1.111 34 Y CB -0.930 37.426 38.460 -0.173 0.000 0.987 34 Y HN 0.148 nan 8.280 nan 0.000 0.489 35 Y N 0.642 120.760 120.300 -0.302 0.000 2.128 35 Y HA -0.292 4.263 4.550 0.007 0.000 0.284 35 Y C 2.937 178.815 175.900 -0.036 0.000 1.154 35 Y CA 2.649 60.566 58.100 -0.304 0.000 1.149 35 Y CB -0.932 37.399 38.460 -0.215 0.000 0.976 35 Y HN 0.336 nan 8.280 nan 0.000 0.505 36 T N -3.440 111.224 114.554 0.183 0.000 2.962 36 T HA -0.067 4.287 4.350 0.007 0.000 0.270 36 T C 2.078 176.905 174.700 0.212 0.000 1.088 36 T CA 0.977 63.271 62.100 0.324 0.000 1.127 36 T CB -0.840 68.170 68.868 0.236 0.000 0.883 36 T HN 0.376 nan 8.240 nan 0.000 0.493 37 G N 1.228 110.085 108.800 0.095 0.000 2.679 37 G HA2 0.042 4.006 3.960 0.007 0.000 0.212 37 G HA3 0.042 4.006 3.960 0.007 0.000 0.212 37 G C 0.764 175.686 174.900 0.037 0.000 1.137 37 G CA -0.555 44.602 45.100 0.094 0.000 0.787 37 G HN 0.481 nan 8.290 nan 0.000 0.534 38 R N 0.838 121.318 120.500 -0.034 0.000 2.205 38 R HA 0.496 4.840 4.340 0.007 0.000 0.342 38 R C -0.040 176.266 176.300 0.009 0.000 1.058 38 R CA -0.130 55.942 56.100 -0.047 0.000 0.904 38 R CB 0.555 30.769 30.300 -0.145 0.000 1.089 38 R HN 0.434 nan 8.270 nan 0.000 0.471 69 V N 1.886 121.572 119.914 -0.381 0.000 2.716 69 V HA 0.580 4.704 4.120 0.007 0.000 0.284 69 V C -1.617 174.442 176.094 -0.057 0.000 1.129 69 V CA 0.410 62.650 62.300 -0.101 0.000 0.926 69 V CB 1.278 33.160 31.823 0.097 0.000 1.051 69 V HN 0.407 nan 8.190 nan 0.000 0.458 70 T N 5.081 119.581 114.554 -0.090 0.000 2.829 70 T HA 0.558 4.912 4.350 0.007 0.000 0.282 70 T C -0.059 174.547 174.700 -0.156 0.000 0.990 70 T CA -0.017 62.024 62.100 -0.098 0.000 1.028 70 T CB 1.540 70.358 68.868 -0.084 0.000 0.951 70 T HN 0.850 nan 8.240 nan 0.000 0.460 71 T N 1.354 115.756 114.554 -0.253 0.000 2.944 71 T HA 0.721 5.075 4.350 0.007 0.000 0.284 71 T C -0.402 174.052 174.700 -0.410 0.000 1.010 71 T CA -0.451 61.428 62.100 -0.368 0.000 1.025 71 T CB 0.139 68.720 68.868 -0.479 0.000 1.079 71 T HN 1.029 nan 8.240 nan 0.000 0.516 72 C N 1.194 120.218 119.300 -0.461 0.000 3.231 72 C HA 0.757 5.221 4.460 0.007 0.000 0.343 72 C C -1.905 172.819 174.990 -0.443 0.000 1.349 72 C CA -1.481 57.363 59.018 -0.290 0.000 1.209 72 C CB -0.287 27.412 27.740 -0.069 0.000 1.475 72 C HN 0.727 nan 8.230 nan 0.000 0.460 73 F N 0.915 120.937 119.950 0.121 0.000 2.546 73 F HA 0.865 5.396 4.527 0.007 0.000 0.320 73 F C -0.218 175.748 175.800 0.276 0.000 1.076 73 F CA -0.406 57.687 58.000 0.156 0.000 0.928 73 F CB 1.684 40.751 39.000 0.111 0.000 1.189 73 F HN 0.932 nan 8.300 nan 0.000 0.465 74 W N 3.903 125.319 121.300 0.195 0.000 3.405 74 W HA 0.227 4.891 4.660 0.007 0.000 0.329 74 W C -0.956 175.624 176.519 0.100 0.000 1.142 74 W CA -1.080 56.317 57.345 0.088 0.000 1.235 74 W CB 1.506 30.956 29.460 -0.015 0.000 1.341 74 W HN 0.484 nan 8.180 nan 0.000 0.481 75 K N 5.100 125.187 120.400 -0.523 0.000 3.311 75 K HA -0.247 4.077 4.320 0.007 0.000 0.270 75 K C -0.177 176.481 176.600 0.096 0.000 0.927 75 K CA 1.923 58.014 56.287 -0.325 0.000 0.706 75 K CB -1.496 30.776 32.500 -0.379 0.000 1.418 75 K HN 0.695 nan 8.250 nan 0.000 0.459 76 D N -1.105 119.351 120.400 0.095 0.000 2.800 76 D HA -0.180 4.464 4.640 0.007 0.000 0.232 76 D C -0.383 176.009 176.300 0.154 0.000 1.137 76 D CA 1.343 55.414 54.000 0.119 0.000 0.718 76 D CB -1.126 39.693 40.800 0.031 0.000 1.084 76 D HN 0.625 nan 8.370 nan 0.000 0.432 77 H N -0.718 118.439 119.070 0.145 0.000 2.806 77 H HA 0.448 5.008 4.556 0.007 0.000 0.367 77 H C 0.132 175.539 175.328 0.132 0.000 1.136 77 H CA -0.734 55.387 56.048 0.123 0.000 1.178 77 H CB 1.415 31.219 29.762 0.070 0.000 1.718 77 H HN -0.045 nan 8.280 nan 0.000 0.540 78 R N 3.320 123.881 120.500 0.101 0.000 2.221 78 R HA 0.421 4.765 4.340 0.007 0.000 0.327 78 R C -0.989 175.228 176.300 -0.139 0.000 1.033 78 R CA -0.386 55.591 56.100 -0.203 0.000 0.887 78 R CB 0.264 30.420 30.300 -0.241 0.000 1.057 78 R HN 0.610 nan 8.270 nan 0.000 0.455 79 I N 4.368 124.818 120.570 -0.199 0.000 2.362 79 I HA 0.214 4.388 4.170 0.007 0.000 0.289 79 I C -0.398 175.604 176.117 -0.192 0.000 0.994 79 I CA -0.818 60.396 61.300 -0.143 0.000 1.158 79 I CB 1.710 39.641 38.000 -0.114 0.000 1.315 79 I HN 0.510 nan 8.210 nan 0.000 0.451 80 N N 7.936 126.544 118.700 -0.154 0.000 2.546 80 N HA 0.401 5.145 4.740 0.007 0.000 0.238 80 N C -0.470 174.960 175.510 -0.133 0.000 0.984 80 N CA -0.323 52.639 53.050 -0.146 0.000 0.935 80 N CB 1.659 40.076 38.487 -0.117 0.000 1.122 80 N HN 0.489 nan 8.380 nan 0.000 0.510 81 I N 3.569 124.058 120.570 -0.135 0.000 2.329 81 I HA 0.115 4.290 4.170 0.007 0.000 0.295 81 I C 0.351 176.395 176.117 -0.122 0.000 1.109 81 I CA -0.475 60.747 61.300 -0.130 0.000 1.297 81 I CB 0.054 37.978 38.000 -0.127 0.000 1.433 81 I HN 0.185 nan 8.210 nan 0.000 0.509 82 I N 5.660 126.149 120.570 -0.136 0.000 2.588 82 I HA -0.038 4.136 4.170 0.007 0.000 0.283 82 I C 0.559 176.597 176.117 -0.133 0.000 1.119 82 I CA 0.331 61.545 61.300 -0.144 0.000 1.419 82 I CB 0.288 38.148 38.000 -0.232 0.000 1.394 82 I HN 0.440 nan 8.210 nan 0.000 0.562 83 D N 4.565 124.901 120.400 -0.107 0.000 2.365 83 D HA 0.175 4.819 4.640 0.007 0.000 0.237 83 D C -0.066 176.166 176.300 -0.114 0.000 1.190 83 D CA -0.224 53.705 54.000 -0.118 0.000 0.867 83 D CB 0.444 41.163 40.800 -0.136 0.000 1.050 83 D HN 0.638 nan 8.370 nan 0.000 0.491 84 T N 1.940 116.416 114.554 -0.131 0.000 2.898 84 T HA 0.368 4.722 4.350 0.007 0.000 0.301 84 T C -2.142 172.462 174.700 -0.160 0.000 1.049 84 T CA -1.515 60.505 62.100 -0.134 0.000 1.095 84 T CB 0.914 69.703 68.868 -0.131 0.000 0.976 84 T HN 0.131 nan 8.240 nan 0.000 0.539 85 P HA 0.103 nan 4.420 nan 0.000 0.269 85 P C 1.314 178.369 177.300 -0.408 0.000 1.205 85 P CA 0.164 63.084 63.100 -0.300 0.000 0.780 85 P CB -0.006 31.571 31.700 -0.205 0.000 0.858 86 G N 0.413 108.805 108.800 -0.679 0.000 2.422 86 G HA2 -0.151 3.813 3.960 0.007 0.000 0.218 86 G HA3 -0.151 3.813 3.960 0.007 0.000 0.218 86 G C 0.344 175.049 174.900 -0.325 0.000 1.146 86 G CA 1.045 45.847 45.100 -0.497 0.000 0.769 86 G HN 0.610 nan 8.290 nan 0.000 0.547 87 H N -0.954 117.808 119.070 -0.514 0.000 2.894 87 H HA 0.229 4.789 4.556 0.007 0.000 0.367 87 H C 1.321 176.719 175.328 0.117 0.000 1.144 87 H CA -0.087 55.935 56.048 -0.043 0.000 1.180 87 H CB 2.275 32.192 29.762 0.259 0.000 1.758 87 H HN -0.018 nan 8.280 nan 0.000 0.541 88 V N 0.846 120.796 119.914 0.059 0.000 2.546 88 V HA -0.189 3.935 4.120 0.007 0.000 0.254 88 V C 1.433 177.701 176.094 0.290 0.000 1.076 88 V CA 2.156 64.537 62.300 0.135 0.000 1.087 88 V CB -0.264 31.562 31.823 0.004 0.000 0.674 88 V HN 0.565 nan 8.190 nan 0.000 0.470 89 D N 0.571 121.280 120.400 0.516 0.000 2.221 89 D HA -0.097 4.547 4.640 0.007 0.000 0.204 89 D C 0.934 177.309 176.300 0.124 0.000 0.982 89 D CA 1.082 55.194 54.000 0.186 0.000 0.857 89 D CB -0.499 40.291 40.800 -0.017 0.000 0.934 89 D HN 0.593 nan 8.370 nan 0.000 0.475 90 F N 1.626 121.605 119.950 0.048 0.000 2.591 90 F HA 0.040 4.571 4.527 0.007 0.000 0.378 90 F C 1.866 177.682 175.800 0.027 0.000 1.181 90 F CA -0.006 58.011 58.000 0.028 0.000 1.340 90 F CB -1.080 37.942 39.000 0.037 0.000 1.749 90 F HN -0.222 nan 8.300 nan 0.000 0.662 91 T N 0.782 115.417 114.554 0.135 0.000 2.570 91 T HA -0.314 4.040 4.350 0.007 0.000 0.266 91 T C 2.222 177.020 174.700 0.164 0.000 1.071 91 T CA 1.894 64.064 62.100 0.117 0.000 1.172 91 T CB -0.360 68.530 68.868 0.036 0.000 0.864 91 T HN 0.435 nan 8.240 nan 0.000 0.421 92 I N 1.424 122.097 120.570 0.172 0.000 2.113 92 I HA -0.224 3.950 4.170 0.007 0.000 0.242 92 I C 2.379 178.564 176.117 0.113 0.000 1.064 92 I CA 1.725 63.118 61.300 0.155 0.000 1.320 92 I CB -0.517 37.556 38.000 0.120 0.000 1.028 92 I HN 0.340 nan 8.210 nan 0.000 0.406 93 E N -0.390 119.890 120.200 0.134 0.000 2.097 93 E HA -0.233 4.122 4.350 0.007 0.000 0.196 93 E C 2.252 178.887 176.600 0.057 0.000 1.000 93 E CA 1.975 58.444 56.400 0.114 0.000 0.804 93 E CB -0.306 29.496 29.700 0.169 0.000 0.740 93 E HN 0.462 nan 8.360 nan 0.000 0.454 94 V N 1.722 121.681 119.914 0.074 0.000 2.295 94 V HA -0.258 3.866 4.120 0.007 0.000 0.246 94 V C 2.126 178.211 176.094 -0.016 0.000 1.049 94 V CA 1.938 64.255 62.300 0.028 0.000 1.024 94 V CB -0.546 31.318 31.823 0.069 0.000 0.648 94 V HN 0.250 nan 8.190 nan 0.000 0.447 95 E N 0.109 120.329 120.200 0.033 0.000 2.085 95 E HA -0.288 4.066 4.350 0.007 0.000 0.194 95 E C 2.399 178.781 176.600 -0.364 0.000 0.994 95 E CA 1.464 57.819 56.400 -0.075 0.000 0.801 95 E CB -0.288 29.521 29.700 0.182 0.000 0.743 95 E HN 0.496 nan 8.360 nan 0.000 0.453 96 R N 1.237 121.637 120.500 -0.167 0.000 2.096 96 R HA -0.133 4.211 4.340 0.007 0.000 0.235 96 R C 2.468 178.635 176.300 -0.222 0.000 1.127 96 R CA 1.750 57.753 56.100 -0.162 0.000 0.968 96 R CB -0.146 30.139 30.300 -0.024 0.000 0.861 96 R HN 0.166 nan 8.270 nan 0.000 0.440 97 S N -0.367 115.213 115.700 -0.199 0.000 2.453 97 S HA -0.074 4.400 4.470 0.007 0.000 0.231 97 S C 1.954 176.389 174.600 -0.276 0.000 1.005 97 S CA 0.599 58.645 58.200 -0.256 0.000 0.949 97 S CB 0.008 63.102 63.200 -0.178 0.000 0.774 97 S HN 0.213 nan 8.310 nan 0.000 0.510 98 M N 1.827 121.246 119.600 -0.301 0.000 2.175 98 M HA 0.112 4.596 4.480 0.007 0.000 0.264 98 M C 2.273 178.388 176.300 -0.309 0.000 1.063 98 M CA 1.268 56.394 55.300 -0.291 0.000 1.119 98 M CB -1.139 31.261 32.600 -0.333 0.000 1.377 98 M HN 0.428 nan 8.290 nan 0.000 0.415 99 R N -1.101 119.154 120.500 -0.408 0.000 2.153 99 R HA 0.011 4.356 4.340 0.007 0.000 0.218 99 R C 2.193 178.442 176.300 -0.085 0.000 1.072 99 R CA 0.686 56.637 56.100 -0.248 0.000 0.990 99 R CB -0.256 29.878 30.300 -0.276 0.000 0.889 99 R HN 0.157 nan 8.270 nan 0.000 0.452 100 V N 1.765 121.551 119.914 -0.213 0.000 2.788 100 V HA -0.029 4.095 4.120 0.007 0.000 0.251 100 V C 0.745 176.656 176.094 -0.306 0.000 1.068 100 V CA 0.722 62.831 62.300 -0.318 0.000 1.090 100 V CB -0.147 31.203 31.823 -0.788 0.000 0.710 100 V HN 0.135 nan 8.190 nan 0.000 0.467 101 L N -2.523 118.549 121.223 -0.251 0.000 2.448 101 L HA 0.620 4.964 4.340 0.007 0.000 0.258 101 L C 0.613 177.411 176.870 -0.120 0.000 1.104 101 L CA 0.294 55.019 54.840 -0.193 0.000 0.800 101 L CB -0.031 41.918 42.059 -0.183 0.000 1.241 101 L HN -0.166 nan 8.230 nan 0.000 0.472 102 D N -0.924 119.419 120.400 -0.096 0.000 2.626 102 D HA 0.284 4.928 4.640 0.007 0.000 0.274 102 D C 0.517 176.782 176.300 -0.059 0.000 1.045 102 D CA 0.929 54.894 54.000 -0.058 0.000 0.925 102 D CB 0.850 41.624 40.800 -0.043 0.000 1.260 102 D HN 0.780 nan 8.370 nan 0.000 0.490 103 G N -0.285 108.471 108.800 -0.073 0.000 2.630 103 G HA2 0.690 4.654 3.960 0.007 0.000 0.296 103 G HA3 0.690 4.654 3.960 0.007 0.000 0.296 103 G C -1.415 173.430 174.900 -0.091 0.000 1.285 103 G CA -0.339 44.718 45.100 -0.071 0.000 0.958 103 G HN 0.198 nan 8.290 nan 0.000 0.479 104 A N -0.344 122.422 122.820 -0.090 0.000 2.515 104 A HA 0.812 5.136 4.320 0.007 0.000 0.296 104 A C -1.202 176.336 177.584 -0.077 0.000 1.094 104 A CA -0.601 51.374 52.037 -0.102 0.000 0.718 104 A CB 1.401 20.325 19.000 -0.127 0.000 1.307 104 A HN 0.636 nan 8.150 nan 0.000 0.408 105 I N 1.850 122.373 120.570 -0.077 0.000 2.411 105 I HA 0.298 4.472 4.170 0.007 0.000 0.284 105 I C -0.877 175.216 176.117 -0.041 0.000 1.012 105 I CA -0.721 60.557 61.300 -0.036 0.000 1.119 105 I CB 1.826 39.781 38.000 -0.075 0.000 1.261 105 I HN 0.323 nan 8.210 nan 0.000 0.448 106 V N 7.418 127.324 119.914 -0.014 0.000 2.406 106 V HA 0.250 4.374 4.120 0.007 0.000 0.272 106 V C 0.245 176.192 176.094 -0.246 0.000 1.043 106 V CA -0.554 61.652 62.300 -0.155 0.000 0.915 106 V CB 1.515 33.270 31.823 -0.113 0.000 0.988 106 V HN 0.347 nan 8.190 nan 0.000 0.466 107 V N 6.359 126.102 119.914 -0.284 0.000 2.407 107 V HA 0.497 4.622 4.120 0.007 0.000 0.278 107 V C -0.343 175.498 176.094 -0.422 0.000 1.037 107 V CA -0.256 61.942 62.300 -0.169 0.000 0.900 107 V CB 1.105 32.932 31.823 0.007 0.000 0.983 107 V HN 0.641 nan 8.190 nan 0.000 0.459 108 F N 1.874 121.817 119.950 -0.011 0.000 2.538 108 F HA 0.416 4.947 4.527 0.007 0.000 0.325 108 F C 0.373 176.108 175.800 -0.109 0.000 1.066 108 F CA -0.966 57.007 58.000 -0.045 0.000 0.946 108 F CB 1.279 40.239 39.000 -0.066 0.000 1.199 108 F HN 0.392 nan 8.300 nan 0.000 0.473 109 D N 0.992 121.446 120.400 0.089 0.000 2.336 109 D HA 0.067 4.711 4.640 0.007 0.000 0.249 109 D C 0.590 176.868 176.300 -0.037 0.000 1.213 109 D CA 0.261 54.255 54.000 -0.011 0.000 0.870 109 D CB 1.213 42.003 40.800 -0.017 0.000 1.076 109 D HN 0.473 nan 8.370 nan 0.000 0.483 110 S N 1.895 117.527 115.700 -0.112 0.000 2.584 110 S HA -0.136 4.339 4.470 0.007 0.000 0.240 110 S C 1.748 176.263 174.600 -0.142 0.000 0.975 110 S CA 0.947 59.050 58.200 -0.162 0.000 0.949 110 S CB -0.011 63.033 63.200 -0.260 0.000 0.761 110 S HN 0.638 nan 8.310 nan 0.000 0.536 111 S N -0.208 115.430 115.700 -0.104 0.000 2.502 111 S HA 0.194 4.668 4.470 0.007 0.000 0.215 111 S C 1.555 176.113 174.600 -0.070 0.000 1.009 111 S CA -0.311 57.839 58.200 -0.084 0.000 0.908 111 S CB 0.084 63.242 63.200 -0.069 0.000 0.801 111 S HN 0.215 nan 8.310 nan 0.000 0.505 112 Q N 1.004 120.763 119.800 -0.069 0.000 2.394 112 Q HA 0.383 4.727 4.340 0.007 0.000 0.218 112 Q C 1.411 177.366 176.000 -0.075 0.000 0.907 112 Q CA 0.942 56.703 55.803 -0.071 0.000 0.919 112 Q CB 0.212 28.900 28.738 -0.084 0.000 1.051 112 Q HN 0.676 nan 8.270 nan 0.000 0.538 113 G N 0.518 109.274 108.800 -0.073 0.000 2.545 113 G HA2 -0.271 3.693 3.960 0.007 0.000 0.216 113 G HA3 -0.271 3.693 3.960 0.007 0.000 0.216 113 G C -0.541 174.331 174.900 -0.048 0.000 1.314 113 G CA -0.235 44.794 45.100 -0.118 0.000 0.906 113 G HN 0.312 nan 8.290 nan 0.000 0.563 114 V N 2.146 121.987 119.914 -0.122 0.000 2.326 114 V HA 0.464 4.588 4.120 0.007 0.000 0.249 114 V C 0.909 177.034 176.094 0.052 0.000 1.114 114 V CA 0.510 62.839 62.300 0.049 0.000 1.028 114 V CB -0.617 31.130 31.823 -0.127 0.000 1.170 114 V HN 0.643 nan 8.190 nan 0.000 0.494 115 E N 6.627 126.857 120.200 0.050 0.000 2.416 115 E HA 0.153 4.508 4.350 0.007 0.000 0.254 115 E C -1.557 175.077 176.600 0.057 0.000 1.241 115 E CA -1.060 55.291 56.400 -0.082 0.000 0.969 115 E CB 0.186 29.602 29.700 -0.473 0.000 0.999 115 E HN 0.419 nan 8.360 nan 0.000 0.481 116 P HA -0.255 nan 4.420 nan 0.000 0.217 116 P C 0.919 178.350 177.300 0.218 0.000 1.162 116 P CA 1.745 64.934 63.100 0.149 0.000 0.901 116 P CB 0.145 31.936 31.700 0.151 0.000 0.793 117 Q N -1.053 118.975 119.800 0.381 0.000 2.167 117 Q HA -0.087 4.257 4.340 0.007 0.000 0.202 117 Q C 2.253 178.350 176.000 0.162 0.000 0.970 117 Q CA 1.399 57.302 55.803 0.166 0.000 0.855 117 Q CB -0.532 28.118 28.738 -0.146 0.000 0.911 117 Q HN 0.246 nan 8.270 nan 0.000 0.438 118 S N 1.397 117.242 115.700 0.241 0.000 2.365 118 S HA -0.266 4.209 4.470 0.007 0.000 0.225 118 S C 1.871 176.639 174.600 0.280 0.000 1.039 118 S CA 1.742 60.075 58.200 0.223 0.000 1.033 118 S CB -0.266 63.132 63.200 0.330 0.000 0.887 118 S HN 0.445 nan 8.310 nan 0.000 0.447 119 E N 0.828 121.167 120.200 0.232 0.000 2.077 119 E HA -0.147 4.207 4.350 0.007 0.000 0.193 119 E C 1.938 178.682 176.600 0.240 0.000 0.989 119 E CA 1.689 58.217 56.400 0.213 0.000 0.800 119 E CB -0.325 29.452 29.700 0.128 0.000 0.746 119 E HN 0.430 nan 8.360 nan 0.000 0.452 120 T N 0.724 115.383 114.554 0.175 0.000 2.684 120 T HA -0.183 4.171 4.350 0.007 0.000 0.267 120 T C 1.983 176.765 174.700 0.136 0.000 1.036 120 T CA 1.980 64.161 62.100 0.136 0.000 1.148 120 T CB -0.503 68.419 68.868 0.089 0.000 0.863 120 T HN 0.336 nan 8.240 nan 0.000 0.436 121 V N -0.696 119.291 119.914 0.123 0.000 2.427 121 V HA -0.082 4.043 4.120 0.007 0.000 0.248 121 V C 2.082 178.242 176.094 0.110 0.000 1.051 121 V CA 1.183 63.531 62.300 0.080 0.000 1.048 121 V CB -1.043 30.794 31.823 0.023 0.000 0.666 121 V HN 0.611 nan 8.190 nan 0.000 0.456 122 W N 1.546 122.874 121.300 0.046 0.000 2.355 122 W HA -0.123 4.541 4.660 0.007 0.000 0.309 122 W C 2.759 179.312 176.519 0.056 0.000 1.206 122 W CA 2.283 59.667 57.345 0.065 0.000 1.284 122 W CB -0.262 29.258 29.460 0.100 0.000 1.145 122 W HN 0.231 nan 8.180 nan 0.000 0.502 123 R N 0.215 120.901 120.500 0.309 0.000 2.091 123 R HA -0.189 4.156 4.340 0.007 0.000 0.238 123 R C 1.991 178.331 176.300 0.067 0.000 1.136 123 R CA 1.392 57.606 56.100 0.191 0.000 0.959 123 R CB -1.257 29.141 30.300 0.162 0.000 0.856 123 R HN 0.304 nan 8.270 nan 0.000 0.437 124 Q N 0.427 120.269 119.800 0.071 0.000 2.030 124 Q HA -0.058 4.286 4.340 0.007 0.000 0.204 124 Q C 2.140 178.172 176.000 0.053 0.000 0.986 124 Q CA 1.975 57.824 55.803 0.076 0.000 0.843 124 Q CB -0.637 28.169 28.738 0.113 0.000 0.904 124 Q HN 0.357 nan 8.270 nan 0.000 0.420 125 A N 0.979 123.773 122.820 -0.043 0.000 1.940 125 A HA -0.224 4.100 4.320 0.007 0.000 0.219 125 A C 2.015 179.512 177.584 -0.145 0.000 1.176 125 A CA 1.699 53.659 52.037 -0.128 0.000 0.631 125 A CB -0.439 18.361 19.000 -0.333 0.000 0.814 125 A HN 0.442 nan 8.150 nan 0.000 0.446 126 E N -0.622 119.482 120.200 -0.161 0.000 2.072 126 E HA -0.179 4.175 4.350 0.007 0.000 0.191 126 E C 2.088 178.631 176.600 -0.096 0.000 0.985 126 E CA 1.202 57.543 56.400 -0.099 0.000 0.801 126 E CB -0.136 29.567 29.700 0.005 0.000 0.750 126 E HN 0.664 nan 8.360 nan 0.000 0.452 127 K N 0.309 120.620 120.400 -0.148 0.000 2.103 127 K HA -0.178 4.146 4.320 0.007 0.000 0.207 127 K C 0.905 177.230 176.600 -0.458 0.000 1.048 127 K CA 1.342 57.434 56.287 -0.325 0.000 0.930 127 K CB -0.022 32.192 32.500 -0.476 0.000 0.716 127 K HN 0.138 nan 8.250 nan 0.000 0.444 128 Y N 0.980 121.256 120.300 -0.040 0.000 2.532 128 Y HA 0.230 4.784 4.550 0.007 0.000 0.283 128 Y C -0.328 175.538 175.900 -0.058 0.000 1.181 128 Y CA -0.237 57.835 58.100 -0.048 0.000 1.256 128 Y CB 0.188 38.616 38.460 -0.053 0.000 1.112 128 Y HN -0.048 nan 8.280 nan 0.000 0.521 129 K N 0.475 120.878 120.400 0.005 0.000 3.356 129 K HA -0.181 4.144 4.320 0.007 0.000 0.270 129 K C -0.163 176.429 176.600 -0.013 0.000 0.901 129 K CA 0.686 56.965 56.287 -0.015 0.000 0.688 129 K CB -1.446 31.049 32.500 -0.008 0.000 1.460 129 K HN 0.232 nan 8.250 nan 0.000 0.458 130 V N -0.846 119.050 119.914 -0.030 0.000 2.407 130 V HA 0.408 4.532 4.120 0.007 0.000 0.278 130 V C -2.184 173.855 176.094 -0.091 0.000 1.037 130 V CA -2.196 60.075 62.300 -0.048 0.000 0.900 130 V CB 1.252 33.048 31.823 -0.045 0.000 0.983 130 V HN 0.016 nan 8.190 nan 0.000 0.459 131 P HA 0.257 nan 4.420 nan 0.000 0.268 131 P C -0.878 176.370 177.300 -0.088 0.000 1.208 131 P CA 0.102 63.161 63.100 -0.068 0.000 0.777 131 P CB 0.273 31.952 31.700 -0.036 0.000 0.875 132 R N 1.795 122.247 120.500 -0.080 0.000 2.710 132 R HA 0.736 5.080 4.340 0.007 0.000 0.270 132 R C -1.223 175.101 176.300 0.039 0.000 1.021 132 R CA -0.946 55.111 56.100 -0.071 0.000 0.889 132 R CB 1.058 31.230 30.300 -0.215 0.000 1.243 132 R HN 0.460 nan 8.270 nan 0.000 0.464 133 I N -1.920 118.713 120.570 0.106 0.000 3.002 133 I HA 0.911 5.085 4.170 0.007 0.000 0.310 133 I C -0.876 175.421 176.117 0.299 0.000 1.087 133 I CA -1.297 60.156 61.300 0.255 0.000 1.017 133 I CB 2.454 40.666 38.000 0.353 0.000 1.226 133 I HN 0.832 nan 8.210 nan 0.000 0.443 134 A N 2.702 125.774 122.820 0.419 0.000 2.380 134 A HA 0.839 5.163 4.320 0.007 0.000 0.315 134 A C -1.587 176.324 177.584 0.545 0.000 1.101 134 A CA -0.418 51.911 52.037 0.487 0.000 0.771 134 A CB 1.487 20.856 19.000 0.616 0.000 1.287 134 A HN 0.691 nan 8.150 nan 0.000 0.436 135 F N 1.838 121.957 119.950 0.282 0.000 2.539 135 F HA 0.622 5.153 4.527 0.007 0.000 0.328 135 F C 0.096 176.010 175.800 0.190 0.000 1.148 135 F CA -1.133 56.988 58.000 0.203 0.000 0.940 135 F CB 1.502 40.553 39.000 0.085 0.000 1.194 135 F HN 0.702 nan 8.300 nan 0.000 0.438 136 A N 6.510 129.134 122.820 -0.326 0.000 2.539 136 A HA 0.247 4.571 4.320 0.007 0.000 0.306 136 A C 0.021 177.111 177.584 -0.823 0.000 1.392 136 A CA -0.371 51.426 52.037 -0.399 0.000 1.060 136 A CB -0.574 18.237 19.000 -0.315 0.000 1.134 136 A HN 0.896 nan 8.150 nan 0.000 0.542 137 N N 1.478 119.739 118.700 -0.732 0.000 2.463 137 N HA 0.234 4.978 4.740 0.007 0.000 0.270 137 N C -0.297 175.012 175.510 -0.336 0.000 1.205 137 N CA -0.481 52.182 53.050 -0.645 0.000 0.974 137 N CB 0.271 38.553 38.487 -0.342 0.000 1.197 137 N HN 0.553 nan 8.380 nan 0.000 0.504 138 K N 0.957 121.217 120.400 -0.233 0.000 3.192 138 K HA -0.145 4.179 4.320 0.007 0.000 0.278 138 K C 0.635 177.098 176.600 -0.230 0.000 1.164 138 K CA 0.168 56.358 56.287 -0.161 0.000 0.816 138 K CB -1.068 31.364 32.500 -0.114 0.000 1.256 138 K HN 0.673 nan 8.250 nan 0.000 0.497 139 M N 0.867 120.241 119.600 -0.377 0.000 2.446 139 M HA -0.129 4.355 4.480 0.007 0.000 0.263 139 M C 1.843 177.883 176.300 -0.433 0.000 1.066 139 M CA 1.823 56.770 55.300 -0.589 0.000 1.087 139 M CB -0.587 31.294 32.600 -1.198 0.000 1.406 139 M HN 0.374 nan 8.290 nan 0.000 0.459 140 D N -0.481 119.814 120.400 -0.175 0.000 2.249 140 D HA -0.088 4.557 4.640 0.007 0.000 0.205 140 D C 0.933 177.232 176.300 -0.001 0.000 0.962 140 D CA 0.286 54.305 54.000 0.032 0.000 0.860 140 D CB 0.030 40.905 40.800 0.125 0.000 0.955 140 D HN 0.270 nan 8.370 nan 0.000 0.505 141 K N 1.700 122.072 120.400 -0.046 0.000 2.258 141 K HA 0.077 4.401 4.320 0.007 0.000 0.264 141 K C 0.079 176.658 176.600 -0.034 0.000 1.007 141 K CA -0.273 55.994 56.287 -0.033 0.000 0.941 141 K CB 0.763 33.237 32.500 -0.043 0.000 0.966 141 K HN 0.029 nan 8.250 nan 0.000 0.480 142 T N 0.213 114.757 114.554 -0.017 0.000 2.916 142 T HA 0.293 4.647 4.350 0.007 0.000 0.303 142 T C 1.052 175.737 174.700 -0.024 0.000 1.025 142 T CA 0.165 62.258 62.100 -0.012 0.000 1.142 142 T CB 0.755 69.622 68.868 -0.002 0.000 0.947 142 T HN 0.882 nan 8.240 nan 0.000 0.544 143 G N 1.830 110.616 108.800 -0.023 0.000 2.195 143 G HA2 -0.037 3.927 3.960 0.007 0.000 0.246 143 G HA3 -0.037 3.927 3.960 0.007 0.000 0.246 143 G C 0.389 175.258 174.900 -0.053 0.000 0.984 143 G CA -0.097 44.986 45.100 -0.029 0.000 0.633 143 G HN 1.650 nan 8.290 nan 0.000 0.525 144 A N 0.222 122.995 122.820 -0.078 0.000 2.548 144 A HA 0.493 4.817 4.320 0.007 0.000 0.247 144 A C 0.147 177.650 177.584 -0.135 0.000 1.067 144 A CA 1.371 53.330 52.037 -0.130 0.000 0.757 144 A CB 0.269 19.159 19.000 -0.184 0.000 0.996 144 A HN 0.865 nan 8.150 nan 0.000 0.504 145 D N 2.259 122.564 120.400 -0.157 0.000 2.763 145 D HA 0.172 4.816 4.640 0.007 0.000 0.235 145 D C 0.652 176.783 176.300 -0.282 0.000 1.334 145 D CA -0.657 53.248 54.000 -0.158 0.000 0.950 145 D CB 0.842 41.621 40.800 -0.036 0.000 1.433 145 D HN 0.238 nan 8.370 nan 0.000 0.580 146 L N 3.835 124.757 121.223 -0.501 0.000 2.191 146 L HA -0.010 4.334 4.340 0.007 0.000 0.212 146 L C 0.737 177.187 176.870 -0.700 0.000 1.103 146 L CA 1.635 56.047 54.840 -0.713 0.000 0.769 146 L CB -0.489 40.963 42.059 -1.012 0.000 0.908 146 L HN 0.629 nan 8.230 nan 0.000 0.438 147 W N -0.841 120.388 121.300 -0.119 0.000 2.584 147 W HA -0.083 4.581 4.660 0.007 0.000 0.264 147 W C 2.208 178.660 176.519 -0.112 0.000 1.264 147 W CA -0.256 57.029 57.345 -0.101 0.000 1.306 147 W CB -0.307 29.116 29.460 -0.063 0.000 1.110 147 W HN 0.106 nan 8.180 nan 0.000 0.606 148 L N 0.232 121.465 121.223 0.017 0.000 2.156 148 L HA -0.053 4.291 4.340 0.007 0.000 0.208 148 L C 1.918 178.705 176.870 -0.139 0.000 1.095 148 L CA 1.689 56.503 54.840 -0.042 0.000 0.770 148 L CB -0.809 41.216 42.059 -0.058 0.000 0.914 148 L HN -0.118 nan 8.230 nan 0.000 0.439 149 V N -0.416 119.366 119.914 -0.220 0.000 2.591 149 V HA -0.178 3.947 4.120 0.007 0.000 0.249 149 V C 2.463 178.341 176.094 -0.359 0.000 1.053 149 V CA 1.097 63.181 62.300 -0.360 0.000 1.068 149 V CB -0.429 31.152 31.823 -0.404 0.000 0.689 149 V HN 0.315 nan 8.190 nan 0.000 0.462 150 I N 0.067 120.502 120.570 -0.225 0.000 2.233 150 I HA -0.120 4.054 4.170 0.007 0.000 0.243 150 I C 2.631 178.687 176.117 -0.101 0.000 1.093 150 I CA 1.517 62.733 61.300 -0.141 0.000 1.380 150 I CB -1.122 36.880 38.000 0.003 0.000 1.067 150 I HN 0.264 nan 8.210 nan 0.000 0.413 151 R N 0.496 120.970 120.500 -0.043 0.000 2.073 151 R HA -0.157 4.187 4.340 0.007 0.000 0.234 151 R C 2.342 178.579 176.300 -0.105 0.000 1.134 151 R CA 2.274 58.349 56.100 -0.042 0.000 0.952 151 R CB -0.536 29.763 30.300 -0.002 0.000 0.850 151 R HN 0.541 nan 8.270 nan 0.000 0.433 152 T N -1.456 113.010 114.554 -0.147 0.000 2.915 152 T HA -0.097 4.257 4.350 0.007 0.000 0.269 152 T C 1.894 176.442 174.700 -0.253 0.000 1.071 152 T CA 0.938 62.933 62.100 -0.176 0.000 1.132 152 T CB -0.062 68.700 68.868 -0.175 0.000 0.878 152 T HN 0.101 nan 8.240 nan 0.000 0.479 153 M N 0.718 120.119 119.600 -0.332 0.000 2.099 153 M HA -0.073 4.411 4.480 0.007 0.000 0.262 153 M C 2.792 178.899 176.300 -0.323 0.000 1.067 153 M CA 1.735 56.776 55.300 -0.430 0.000 1.124 153 M CB -0.312 32.023 32.600 -0.442 0.000 1.353 153 M HN 0.314 nan 8.290 nan 0.000 0.410 154 Q N -0.286 119.393 119.800 -0.202 0.000 2.002 154 Q HA -0.195 4.149 4.340 0.007 0.000 0.204 154 Q C 2.068 177.993 176.000 -0.126 0.000 0.988 154 Q CA 1.357 57.082 55.803 -0.130 0.000 0.843 154 Q CB -0.106 28.588 28.738 -0.074 0.000 0.908 154 Q HN 0.389 nan 8.270 nan 0.000 0.420 155 E N 0.632 120.762 120.200 -0.117 0.000 2.000 155 E HA -0.187 4.167 4.350 0.007 0.000 0.199 155 E C 2.059 178.596 176.600 -0.106 0.000 1.011 155 E CA 1.357 57.700 56.400 -0.095 0.000 0.836 155 E CB -0.209 29.443 29.700 -0.079 0.000 0.778 155 E HN 0.285 nan 8.360 nan 0.000 0.462 156 R N 0.146 120.569 120.500 -0.128 0.000 2.066 156 R HA -0.025 4.319 4.340 0.007 0.000 0.232 156 R C 2.506 178.707 176.300 -0.165 0.000 1.131 156 R CA 1.091 57.120 56.100 -0.117 0.000 0.955 156 R CB -0.278 29.958 30.300 -0.107 0.000 0.851 156 R HN 0.175 nan 8.270 nan 0.000 0.432 157 L N -0.782 120.255 121.223 -0.309 0.000 2.554 157 L HA 0.295 4.639 4.340 0.007 0.000 0.225 157 L C 1.050 177.744 176.870 -0.293 0.000 1.104 157 L CA 0.181 54.733 54.840 -0.480 0.000 0.866 157 L CB 0.040 41.388 42.059 -1.185 0.000 1.047 157 L HN 0.360 nan 8.230 nan 0.000 0.468 158 G N 1.137 109.826 108.800 -0.185 0.000 2.341 158 G HA2 -0.338 3.626 3.960 0.007 0.000 0.292 158 G HA3 -0.338 3.626 3.960 0.007 0.000 0.292 158 G C 0.997 175.884 174.900 -0.021 0.000 1.021 158 G CA 0.537 45.594 45.100 -0.072 0.000 0.905 158 G HN 0.493 nan 8.290 nan 0.000 0.508 159 A N -0.232 122.521 122.820 -0.111 0.000 2.067 159 A HA 0.419 4.744 4.320 0.007 0.000 0.217 159 A C 1.803 179.451 177.584 0.107 0.000 1.156 159 A CA 1.663 53.732 52.037 0.053 0.000 0.683 159 A CB -0.119 18.772 19.000 -0.181 0.000 0.808 159 A HN 1.623 nan 8.150 nan 0.000 0.455 160 R N -1.024 119.495 120.500 0.032 0.000 3.205 160 R HA -0.118 4.226 4.340 0.007 0.000 0.249 160 R C -2.413 173.920 176.300 0.055 0.000 0.937 160 R CA 0.499 56.627 56.100 0.046 0.000 0.641 160 R CB -1.539 28.806 30.300 0.075 0.000 1.114 160 R HN 0.413 nan 8.270 nan 0.000 0.451 161 P HA 0.123 nan 4.420 nan 0.000 0.271 161 P C -0.564 176.742 177.300 0.010 0.000 1.244 161 P CA -0.146 62.964 63.100 0.017 0.000 0.793 161 P CB 1.107 32.786 31.700 -0.034 0.000 0.984 162 V N 0.968 120.866 119.914 -0.027 0.000 2.655 162 V HA 0.165 4.289 4.120 0.007 0.000 0.301 162 V C -0.685 175.352 176.094 -0.094 0.000 1.082 162 V CA -0.895 61.386 62.300 -0.031 0.000 0.899 162 V CB 1.895 33.692 31.823 -0.044 0.000 1.014 162 V HN 0.214 nan 8.190 nan 0.000 0.429 163 V N 9.164 129.070 119.914 -0.013 0.000 2.420 163 V HA 0.074 4.198 4.120 0.007 0.000 0.274 163 V C 1.310 177.344 176.094 -0.100 0.000 1.003 163 V CA 0.320 62.576 62.300 -0.073 0.000 1.092 163 V CB 0.809 32.644 31.823 0.020 0.000 1.002 163 V HN 0.911 nan 8.190 nan 0.000 0.473 164 M N 3.653 123.099 119.600 -0.257 0.000 2.509 164 M HA 0.203 4.687 4.480 0.007 0.000 0.250 164 M C 0.560 176.827 176.300 -0.056 0.000 1.132 164 M CA 0.704 55.861 55.300 -0.239 0.000 1.080 164 M CB -0.416 31.759 32.600 -0.708 0.000 1.408 164 M HN 0.881 nan 8.290 nan 0.000 0.484 165 Q N -0.386 119.367 119.800 -0.078 0.000 2.647 165 Q HA 0.597 4.941 4.340 0.007 0.000 0.283 165 Q C -1.597 174.357 176.000 -0.076 0.000 0.943 165 Q CA -0.940 54.870 55.803 0.012 0.000 0.813 165 Q CB 1.679 30.489 28.738 0.120 0.000 1.477 165 Q HN -0.104 nan 8.270 nan 0.000 0.393 166 L N 1.397 122.605 121.223 -0.025 0.000 2.330 166 L HA 0.731 5.075 4.340 0.007 0.000 0.271 166 L C -2.295 174.565 176.870 -0.017 0.000 1.013 166 L CA -2.006 52.795 54.840 -0.065 0.000 0.816 166 L CB 0.957 43.033 42.059 0.028 0.000 1.287 166 L HN 0.640 nan 8.230 nan 0.000 0.435 167 P HA 0.452 nan 4.420 nan 0.000 0.283 167 P C -1.001 176.287 177.300 -0.019 0.000 1.271 167 P CA -0.506 62.678 63.100 0.140 0.000 0.841 167 P CB 1.983 33.727 31.700 0.073 0.000 1.122 168 I N 0.285 120.899 120.570 0.073 0.000 2.439 168 I HA 0.537 4.712 4.170 0.007 0.000 0.283 168 I C 0.348 176.550 176.117 0.141 0.000 1.023 168 I CA -0.145 61.055 61.300 -0.167 0.000 1.100 168 I CB 1.124 38.980 38.000 -0.241 0.000 1.238 168 I HN 0.709 nan 8.210 nan 0.000 0.445 169 G N 4.672 113.625 108.800 0.255 0.000 2.629 169 G HA2 -0.169 3.795 3.960 0.007 0.000 0.686 169 G HA3 -0.169 3.795 3.960 0.007 0.000 0.686 169 G C -0.337 174.740 174.900 0.295 0.000 1.232 169 G CA -0.150 45.111 45.100 0.268 0.000 0.803 169 G HN 0.773 nan 8.290 nan 0.000 0.638 170 R N -0.092 120.537 120.500 0.215 0.000 2.144 170 R HA 0.455 4.799 4.340 0.007 0.000 0.195 170 R C 1.751 178.103 176.300 0.087 0.000 1.077 170 R CA 1.726 57.911 56.100 0.141 0.000 1.120 170 R CB 0.146 30.515 30.300 0.115 0.000 1.060 170 R HN 0.614 nan 8.270 nan 0.000 0.520 171 E N -0.224 120.038 120.200 0.102 0.000 3.076 171 E HA 0.025 4.379 4.350 0.007 0.000 0.279 171 E C 0.618 177.286 176.600 0.113 0.000 0.945 171 E CA 0.513 56.954 56.400 0.068 0.000 1.046 171 E CB 0.292 30.018 29.700 0.044 0.000 2.828 171 E HN 0.324 nan 8.360 nan 0.000 0.582 172 D N 0.315 120.770 120.400 0.091 0.000 2.348 172 D HA -0.102 4.542 4.640 0.007 0.000 0.216 172 D C 1.185 177.552 176.300 0.112 0.000 0.970 172 D CA 1.238 55.294 54.000 0.093 0.000 0.889 172 D CB -0.239 40.599 40.800 0.063 0.000 0.912 172 D HN 0.292 nan 8.370 nan 0.000 0.524 173 T N -2.269 112.361 114.554 0.127 0.000 3.188 173 T HA 0.113 4.468 4.350 0.007 0.000 0.250 173 T C 0.293 175.096 174.700 0.172 0.000 1.077 173 T CA -0.840 61.335 62.100 0.126 0.000 0.967 173 T CB -0.964 67.974 68.868 0.116 0.000 1.006 173 T HN 0.027 nan 8.240 nan 0.000 0.552 174 F N 3.830 123.806 119.950 0.043 0.000 2.471 174 F HA 0.470 5.001 4.527 0.007 0.000 0.365 174 F C 0.943 176.778 175.800 0.058 0.000 1.095 174 F CA -1.182 56.840 58.000 0.038 0.000 1.174 174 F CB 0.766 39.770 39.000 0.008 0.000 1.105 174 F HN 0.196 nan 8.300 nan 0.000 0.535 175 S N 2.729 118.162 115.700 -0.445 0.000 2.679 175 S HA 0.547 5.022 4.470 0.007 0.000 0.258 175 S C 0.377 174.817 174.600 -0.266 0.000 1.068 175 S CA 0.097 58.093 58.200 -0.340 0.000 1.115 175 S CB 0.115 63.264 63.200 -0.084 0.000 1.078 175 S HN 0.933 nan 8.310 nan 0.000 0.603 176 G N 0.764 109.348 108.800 -0.361 0.000 2.677 176 G HA2 0.677 4.641 3.960 0.007 0.000 0.291 176 G HA3 0.677 4.641 3.960 0.007 0.000 0.291 176 G C -1.777 173.144 174.900 0.034 0.000 1.435 176 G CA -0.838 44.223 45.100 -0.065 0.000 0.826 176 G HN 0.257 nan 8.290 nan 0.000 0.491 177 I N 0.607 121.300 120.570 0.206 0.000 2.509 177 I HA 0.437 4.611 4.170 0.007 0.000 0.293 177 I C -0.525 175.722 176.117 0.216 0.000 1.020 177 I CA -0.827 60.625 61.300 0.254 0.000 1.088 177 I CB 2.366 40.580 38.000 0.356 0.000 1.267 177 I HN 0.196 nan 8.210 nan 0.000 0.430 178 I N 4.469 125.122 120.570 0.138 0.000 2.312 178 I HA 0.161 4.335 4.170 0.007 0.000 0.290 178 I C -0.175 176.048 176.117 0.177 0.000 1.008 178 I CA -0.441 60.929 61.300 0.117 0.000 1.226 178 I CB 1.172 39.204 38.000 0.054 0.000 1.371 178 I HN 0.527 nan 8.210 nan 0.000 0.468 179 D N 6.570 127.109 120.400 0.231 0.000 2.339 179 D HA 0.049 4.693 4.640 0.007 0.000 0.256 179 D C 0.889 177.312 176.300 0.205 0.000 1.214 179 D CA -0.163 53.991 54.000 0.257 0.000 0.877 179 D CB 1.690 42.684 40.800 0.324 0.000 1.111 179 D HN 0.398 nan 8.370 nan 0.000 0.478 180 V N 2.822 122.857 119.914 0.203 0.000 3.608 180 V HA 0.014 4.138 4.120 0.007 0.000 0.269 180 V C 1.702 178.001 176.094 0.342 0.000 1.245 180 V CA 0.035 62.481 62.300 0.243 0.000 1.138 180 V CB -0.143 31.826 31.823 0.243 0.000 0.841 180 V HN 0.443 nan 8.190 nan 0.000 0.451 181 L N 1.418 122.811 121.223 0.283 0.000 2.162 181 L HA 0.266 4.610 4.340 0.007 0.000 0.205 181 L C 2.321 179.388 176.870 0.328 0.000 1.086 181 L CA 1.623 56.640 54.840 0.295 0.000 0.778 181 L CB -0.740 41.460 42.059 0.234 0.000 0.928 181 L HN 0.272 nan 8.230 nan 0.000 0.446 182 R N -0.951 119.694 120.500 0.242 0.000 2.362 182 R HA 0.257 4.601 4.340 0.007 0.000 0.227 182 R C -0.099 176.256 176.300 0.092 0.000 0.905 182 R CA -0.192 56.008 56.100 0.167 0.000 1.067 182 R CB 0.132 30.527 30.300 0.158 0.000 1.078 182 R HN 0.146 nan 8.270 nan 0.000 0.516 183 M N 2.343 122.001 119.600 0.097 0.000 2.917 183 M HA -0.195 4.289 4.480 0.007 0.000 0.176 183 M C -0.642 175.660 176.300 0.003 0.000 1.181 183 M CA 1.423 56.739 55.300 0.027 0.000 0.723 183 M CB -1.717 30.835 32.600 -0.081 0.000 1.207 183 M HN 0.347 nan 8.290 nan 0.000 0.761 184 K N -0.355 120.047 120.400 0.004 0.000 2.532 184 K HA 0.934 5.258 4.320 0.007 0.000 0.265 184 K C -1.081 175.422 176.600 -0.162 0.000 0.948 184 K CA -0.482 55.741 56.287 -0.107 0.000 0.842 184 K CB 2.430 34.844 32.500 -0.143 0.000 1.392 184 K HN 0.234 nan 8.250 nan 0.000 0.436 185 A N 1.404 124.042 122.820 -0.302 0.000 2.346 185 A HA 0.803 5.127 4.320 0.007 0.000 0.313 185 A C -1.795 175.442 177.584 -0.579 0.000 1.140 185 A CA -0.757 51.127 52.037 -0.256 0.000 0.826 185 A CB 0.856 19.779 19.000 -0.128 0.000 1.332 185 A HN 0.631 nan 8.150 nan 0.000 0.457 186 Y N -0.958 119.297 120.300 -0.076 0.000 2.396 186 Y HA 0.565 5.120 4.550 0.007 0.000 0.332 186 Y C 0.309 176.034 175.900 -0.291 0.000 1.034 186 Y CA -0.277 57.705 58.100 -0.196 0.000 1.057 186 Y CB 2.540 40.881 38.460 -0.199 0.000 1.220 186 Y HN 0.710 nan 8.280 nan 0.000 0.440 187 T N 2.317 116.730 114.554 -0.235 0.000 2.912 187 T HA 0.626 4.980 4.350 0.007 0.000 0.288 187 T C -1.721 172.737 174.700 -0.403 0.000 1.030 187 T CA -0.503 61.468 62.100 -0.216 0.000 1.020 187 T CB 0.570 69.381 68.868 -0.095 0.000 1.056 187 T HN 0.423 nan 8.240 nan 0.000 0.480 188 Y N 2.207 122.489 120.300 -0.030 0.000 2.345 188 Y HA 0.422 4.976 4.550 0.007 0.000 0.331 188 Y C 1.414 177.313 175.900 -0.002 0.000 0.959 188 Y CA -0.761 57.334 58.100 -0.008 0.000 1.204 188 Y CB 1.572 40.010 38.460 -0.036 0.000 1.135 188 Y HN 0.856 nan 8.280 nan 0.000 0.477 189 G N 2.953 111.822 108.800 0.115 0.000 2.469 189 G HA2 -0.217 3.747 3.960 0.007 0.000 0.220 189 G HA3 -0.217 3.747 3.960 0.007 0.000 0.220 189 G C 0.323 175.278 174.900 0.091 0.000 1.136 189 G CA 0.998 46.148 45.100 0.083 0.000 0.759 189 G HN 0.744 nan 8.290 nan 0.000 0.562 190 N N -1.978 116.795 118.700 0.122 0.000 3.204 190 N HA 0.232 4.976 4.740 0.007 0.000 0.285 190 N C -1.301 174.265 175.510 0.093 0.000 1.536 190 N CA -0.705 52.400 53.050 0.091 0.000 0.832 190 N CB 0.912 39.444 38.487 0.074 0.000 1.645 190 N HN -0.238 nan 8.380 nan 0.000 0.586 191 D N 0.145 120.580 120.400 0.058 0.000 2.370 191 D HA 0.232 4.876 4.640 0.007 0.000 0.230 191 D C 0.678 177.001 176.300 0.038 0.000 1.143 191 D CA 0.217 54.241 54.000 0.040 0.000 0.834 191 D CB -0.008 40.808 40.800 0.027 0.000 0.944 191 D HN 0.389 nan 8.370 nan 0.000 0.504 192 L N -1.039 120.221 121.223 0.062 0.000 2.766 192 L HA 0.288 4.632 4.340 0.007 0.000 0.242 192 L C 1.183 178.112 176.870 0.098 0.000 1.136 192 L CA -0.216 54.648 54.840 0.040 0.000 0.933 192 L CB 0.367 42.440 42.059 0.023 0.000 1.241 192 L HN 0.025 nan 8.230 nan 0.000 0.522 193 G N 0.977 109.900 108.800 0.205 0.000 2.323 193 G HA2 -0.304 3.660 3.960 0.007 0.000 0.292 193 G HA3 -0.304 3.660 3.960 0.007 0.000 0.292 193 G C 0.493 175.593 174.900 0.334 0.000 1.040 193 G CA 0.859 46.193 45.100 0.390 0.000 0.942 193 G HN 0.285 nan 8.290 nan 0.000 0.506 194 T N -1.220 113.483 114.554 0.247 0.000 3.475 194 T HA 0.370 4.724 4.350 0.007 0.000 0.310 194 T C -0.512 174.280 174.700 0.153 0.000 0.963 194 T CA 0.589 62.802 62.100 0.188 0.000 0.985 194 T CB 0.146 69.096 68.868 0.135 0.000 1.198 194 T HN 0.430 nan 8.240 nan 0.000 0.508 195 D N 1.641 122.147 120.400 0.176 0.000 2.668 195 D HA 0.170 4.815 4.640 0.007 0.000 0.234 195 D C -1.297 175.064 176.300 0.102 0.000 1.349 195 D CA -0.342 53.730 54.000 0.119 0.000 0.889 195 D CB 0.228 41.086 40.800 0.096 0.000 1.520 195 D HN 0.200 nan 8.370 nan 0.000 0.521 196 I N 2.607 123.217 120.570 0.068 0.000 2.377 196 I HA 0.498 4.672 4.170 0.007 0.000 0.293 196 I C -0.646 175.441 176.117 -0.050 0.000 0.987 196 I CA -0.498 60.758 61.300 -0.073 0.000 1.185 196 I CB 1.096 39.089 38.000 -0.011 0.000 1.341 196 I HN 0.290 nan 8.210 nan 0.000 0.455 197 R N 5.253 125.691 120.500 -0.103 0.000 2.514 197 R HA 0.266 4.611 4.340 0.007 0.000 0.296 197 R C -0.667 175.596 176.300 -0.062 0.000 1.012 197 R CA -0.761 55.312 56.100 -0.045 0.000 0.897 197 R CB 1.889 32.160 30.300 -0.049 0.000 1.184 197 R HN 0.537 nan 8.270 nan 0.000 0.440 198 E N 5.441 125.611 120.200 -0.051 0.000 1.881 198 E HA 0.079 4.433 4.350 0.007 0.000 0.264 198 E C -0.180 176.287 176.600 -0.220 0.000 1.243 198 E CA -0.313 55.935 56.400 -0.254 0.000 0.965 198 E CB 0.172 29.741 29.700 -0.217 0.000 1.055 198 E HN 0.496 nan 8.360 nan 0.000 0.412 199 I N 1.449 121.886 120.570 -0.222 0.000 2.566 199 I HA 0.586 4.760 4.170 0.007 0.000 0.303 199 I C -2.404 173.623 176.117 -0.150 0.000 0.983 199 I CA -3.025 58.191 61.300 -0.140 0.000 1.235 199 I CB 1.211 39.156 38.000 -0.092 0.000 1.386 199 I HN 0.224 nan 8.210 nan 0.000 0.494 200 P HA 0.261 nan 4.420 nan 0.000 0.272 200 P C -0.437 176.837 177.300 -0.044 0.000 1.230 200 P CA -0.253 62.803 63.100 -0.074 0.000 0.788 200 P CB 0.528 32.203 31.700 -0.042 0.000 0.949 201 I N 3.166 123.722 120.570 -0.023 0.000 2.752 201 I HA -0.038 4.137 4.170 0.007 0.000 0.286 201 I C -1.768 174.390 176.117 0.069 0.000 1.180 201 I CA -1.080 60.237 61.300 0.028 0.000 1.404 201 I CB -0.415 37.617 38.000 0.055 0.000 1.389 201 I HN 0.186 nan 8.210 nan 0.000 0.549 202 P HA -0.020 nan 4.420 nan 0.000 0.267 202 P C 0.518 177.910 177.300 0.152 0.000 1.209 202 P CA -0.135 63.051 63.100 0.144 0.000 0.763 202 P CB 0.567 32.402 31.700 0.225 0.000 0.816 203 E N 3.132 123.383 120.200 0.084 0.000 2.233 203 E HA -0.349 4.005 4.350 0.007 0.000 0.210 203 E C 1.403 178.030 176.600 0.045 0.000 1.046 203 E CA 1.771 58.206 56.400 0.058 0.000 0.844 203 E CB -0.875 28.844 29.700 0.031 0.000 0.741 203 E HN 0.475 nan 8.360 nan 0.000 0.465 204 E N -0.769 119.444 120.200 0.021 0.000 2.401 204 E HA -0.156 4.198 4.350 0.007 0.000 0.199 204 E C 0.420 176.860 176.600 -0.265 0.000 1.023 204 E CA 0.914 57.237 56.400 -0.128 0.000 0.859 204 E CB 0.049 29.628 29.700 -0.201 0.000 0.780 204 E HN 0.614 nan 8.360 nan 0.000 0.523 205 Y N -1.592 118.747 120.300 0.065 0.000 2.563 205 Y HA 0.057 4.611 4.550 0.007 0.000 0.250 205 Y C 1.410 177.363 175.900 0.089 0.000 1.126 205 Y CA -0.389 57.764 58.100 0.089 0.000 1.231 205 Y CB 0.328 38.848 38.460 0.100 0.000 1.288 205 Y HN -0.026 nan 8.280 nan 0.000 0.537 206 L N 0.867 122.204 121.223 0.190 0.000 2.051 206 L HA -0.254 4.090 4.340 0.007 0.000 0.214 206 L C 1.637 178.579 176.870 0.120 0.000 1.076 206 L CA 2.093 57.012 54.840 0.133 0.000 0.758 206 L CB -0.438 41.670 42.059 0.082 0.000 0.890 206 L HN 0.172 nan 8.230 nan 0.000 0.433 207 D N -1.282 119.179 120.400 0.102 0.000 2.123 207 D HA -0.218 4.426 4.640 0.007 0.000 0.200 207 D C 2.024 178.404 176.300 0.133 0.000 0.976 207 D CA 1.253 55.306 54.000 0.090 0.000 0.831 207 D CB -0.039 40.793 40.800 0.054 0.000 0.974 207 D HN 0.563 nan 8.370 nan 0.000 0.469 208 Q N 0.579 120.491 119.800 0.186 0.000 2.124 208 Q HA -0.134 4.210 4.340 0.007 0.000 0.202 208 Q C 2.083 178.306 176.000 0.372 0.000 0.977 208 Q CA 1.415 57.392 55.803 0.289 0.000 0.850 208 Q CB 0.014 28.953 28.738 0.336 0.000 0.901 208 Q HN 0.173 nan 8.270 nan 0.000 0.429 209 A N 1.177 124.175 122.820 0.296 0.000 1.865 209 A HA -0.217 4.107 4.320 0.007 0.000 0.217 209 A C 2.046 179.794 177.584 0.274 0.000 1.191 209 A CA 1.603 53.808 52.037 0.280 0.000 0.623 209 A CB -0.563 18.555 19.000 0.197 0.000 0.826 209 A HN 0.357 nan 8.150 nan 0.000 0.444 210 R N -0.717 119.900 120.500 0.194 0.000 2.120 210 R HA -0.153 4.191 4.340 0.007 0.000 0.234 210 R C 2.280 178.682 176.300 0.170 0.000 1.123 210 R CA 1.398 57.600 56.100 0.170 0.000 0.975 210 R CB -0.318 30.042 30.300 0.101 0.000 0.866 210 R HN 0.803 nan 8.270 nan 0.000 0.446 211 E N 0.110 120.384 120.200 0.124 0.000 2.047 211 E HA -0.196 4.158 4.350 0.007 0.000 0.191 211 E C 1.339 177.873 176.600 -0.110 0.000 0.987 211 E CA 1.216 57.607 56.400 -0.014 0.000 0.799 211 E CB 0.001 29.652 29.700 -0.082 0.000 0.752 211 E HN 0.362 nan 8.360 nan 0.000 0.449 212 Y N -0.970 119.411 120.300 0.135 0.000 2.457 212 Y HA -0.088 4.466 4.550 0.007 0.000 0.292 212 Y C 2.217 178.186 175.900 0.114 0.000 1.125 212 Y CA 1.446 59.621 58.100 0.125 0.000 1.254 212 Y CB -0.207 38.349 38.460 0.160 0.000 1.012 212 Y HN 0.295 nan 8.280 nan 0.000 0.555 213 H N -0.164 119.014 119.070 0.180 0.000 2.395 213 H HA -0.103 4.457 4.556 0.007 0.000 0.299 213 H C 2.128 177.519 175.328 0.104 0.000 1.070 213 H CA 1.795 57.925 56.048 0.137 0.000 1.356 213 H CB 0.232 30.070 29.762 0.127 0.000 1.401 213 H HN 0.208 nan 8.280 nan 0.000 0.524 214 E N 0.804 121.081 120.200 0.129 0.000 2.047 214 E HA -0.128 4.226 4.350 0.007 0.000 0.191 214 E C 2.029 178.637 176.600 0.012 0.000 0.987 214 E CA 1.429 57.902 56.400 0.122 0.000 0.799 214 E CB -0.023 29.765 29.700 0.146 0.000 0.752 214 E HN 0.440 nan 8.360 nan 0.000 0.449 215 K N -0.106 120.273 120.400 -0.036 0.000 2.097 215 K HA -0.098 4.226 4.320 0.007 0.000 0.206 215 K C 2.263 178.802 176.600 -0.101 0.000 1.049 215 K CA 1.170 57.408 56.287 -0.081 0.000 0.933 215 K CB -0.220 32.209 32.500 -0.118 0.000 0.717 215 K HN 0.219 nan 8.250 nan 0.000 0.442 216 L N 0.678 121.849 121.223 -0.087 0.000 2.056 216 L HA -0.161 4.183 4.340 0.007 0.000 0.207 216 L C 1.999 178.758 176.870 -0.185 0.000 1.078 216 L CA 0.928 55.706 54.840 -0.104 0.000 0.749 216 L CB -0.044 41.967 42.059 -0.081 0.000 0.901 216 L HN -0.069 nan 8.230 nan 0.000 0.433 217 V N 0.067 119.815 119.914 -0.277 0.000 2.407 217 V HA -0.309 3.815 4.120 0.007 0.000 0.248 217 V C 2.442 178.259 176.094 -0.462 0.000 1.055 217 V CA 2.103 64.234 62.300 -0.281 0.000 1.049 217 V CB -0.604 31.117 31.823 -0.170 0.000 0.662 217 V HN 0.557 nan 8.190 nan 0.000 0.455 218 E N 0.253 120.063 120.200 -0.651 0.000 2.023 218 E HA -0.225 4.130 4.350 0.007 0.000 0.196 218 E C 2.226 178.574 176.600 -0.420 0.000 1.003 218 E CA 2.120 58.013 56.400 -0.845 0.000 0.809 218 E CB -0.116 29.267 29.700 -0.528 0.000 0.755 218 E HN 0.403 nan 8.360 nan 0.000 0.449 219 V N 1.363 121.136 119.914 -0.235 0.000 2.324 219 V HA -0.328 3.796 4.120 0.007 0.000 0.250 219 V C 2.477 178.550 176.094 -0.035 0.000 1.060 219 V CA 2.007 64.245 62.300 -0.103 0.000 1.042 219 V CB -0.963 30.856 31.823 -0.006 0.000 0.650 219 V HN 0.466 nan 8.190 nan 0.000 0.450 220 A N -0.097 122.705 122.820 -0.030 0.000 1.972 220 A HA -0.048 4.276 4.320 0.007 0.000 0.219 220 A C 2.373 179.962 177.584 0.008 0.000 1.169 220 A CA 1.807 53.890 52.037 0.076 0.000 0.635 220 A CB -0.669 18.344 19.000 0.022 0.000 0.810 220 A HN 0.611 nan 8.150 nan 0.000 0.446 221 A N -0.349 122.387 122.820 -0.140 0.000 2.070 221 A HA -0.118 4.206 4.320 0.007 0.000 0.220 221 A C 1.483 178.952 177.584 -0.191 0.000 1.159 221 A CA 1.570 53.526 52.037 -0.136 0.000 0.656 221 A CB -0.405 18.480 19.000 -0.191 0.000 0.800 221 A HN 0.407 nan 8.150 nan 0.000 0.453 222 D N -1.524 118.660 120.400 -0.360 0.000 2.363 222 D HA 0.037 4.681 4.640 0.007 0.000 0.226 222 D C 0.047 175.816 176.300 -0.885 0.000 1.020 222 D CA 0.754 54.371 54.000 -0.639 0.000 0.892 222 D CB -0.052 40.229 40.800 -0.865 0.000 0.900 222 D HN 0.530 nan 8.370 nan 0.000 0.531 223 F N -0.389 119.549 119.950 -0.020 0.000 2.781 223 F HA 0.240 4.772 4.527 0.007 0.000 0.322 223 F C 0.074 175.878 175.800 0.006 0.000 1.108 223 F CA -0.639 57.359 58.000 -0.004 0.000 1.179 223 F CB 0.976 39.975 39.000 -0.002 0.000 1.072 223 F HN -0.322 nan 8.300 nan 0.000 0.545 224 D N 0.065 120.521 120.400 0.093 0.000 2.688 224 D HA 0.128 4.772 4.640 0.007 0.000 0.210 224 D C 0.691 177.016 176.300 0.041 0.000 1.333 224 D CA 0.018 54.066 54.000 0.080 0.000 0.920 224 D CB 1.388 42.247 40.800 0.098 0.000 1.554 224 D HN -0.175 nan 8.370 nan 0.000 0.579 225 E N 2.144 122.366 120.200 0.037 0.000 2.150 225 E HA -0.063 4.291 4.350 0.007 0.000 0.193 225 E C 1.108 177.732 176.600 0.040 0.000 0.985 225 E CA 0.711 57.128 56.400 0.029 0.000 0.814 225 E CB -0.000 29.715 29.700 0.025 0.000 0.752 225 E HN 0.613 nan 8.360 nan 0.000 0.466 226 N N 0.360 119.087 118.700 0.046 0.000 2.205 226 N HA -0.106 4.638 4.740 0.007 0.000 0.186 226 N C 1.922 177.467 175.510 0.058 0.000 1.015 226 N CA 0.793 53.872 53.050 0.049 0.000 0.862 226 N CB -0.052 38.466 38.487 0.050 0.000 0.986 226 N HN 0.146 nan 8.380 nan 0.000 0.429 227 I N 0.108 120.715 120.570 0.061 0.000 2.400 227 I HA -0.141 4.033 4.170 0.007 0.000 0.248 227 I C 2.354 178.525 176.117 0.090 0.000 1.109 227 I CA 0.471 61.815 61.300 0.072 0.000 1.425 227 I CB -0.057 37.978 38.000 0.058 0.000 1.094 227 I HN 0.122 nan 8.210 nan 0.000 0.425 228 M N 1.262 120.901 119.600 0.064 0.000 2.106 228 M HA -0.225 4.259 4.480 0.007 0.000 0.259 228 M C 2.107 178.472 176.300 0.108 0.000 1.068 228 M CA 2.010 57.360 55.300 0.084 0.000 1.100 228 M CB -0.531 32.090 32.600 0.036 0.000 1.351 228 M HN 0.111 nan 8.290 nan 0.000 0.404 229 L N -0.501 120.765 121.223 0.072 0.000 1.989 229 L HA -0.297 4.047 4.340 0.007 0.000 0.211 229 L C 2.424 179.331 176.870 0.063 0.000 1.071 229 L CA 1.752 56.625 54.840 0.056 0.000 0.749 229 L CB -0.813 41.272 42.059 0.042 0.000 0.890 229 L HN 0.324 nan 8.230 nan 0.000 0.431 230 K N -1.064 119.384 120.400 0.080 0.000 2.026 230 K HA -0.245 4.079 4.320 0.007 0.000 0.208 230 K C 2.155 178.817 176.600 0.104 0.000 1.048 230 K CA 1.657 57.993 56.287 0.082 0.000 0.929 230 K CB -0.487 32.070 32.500 0.094 0.000 0.713 230 K HN 0.132 nan 8.250 nan 0.000 0.439 231 Y N 1.912 122.220 120.300 0.013 0.000 2.114 231 Y HA -0.268 4.287 4.550 0.007 0.000 0.282 231 Y C 1.926 177.828 175.900 0.003 0.000 1.165 231 Y CA 1.328 59.432 58.100 0.007 0.000 1.148 231 Y CB -0.386 38.070 38.460 -0.007 0.000 0.972 231 Y HN -0.099 nan 8.280 nan 0.000 0.504 232 L N 0.374 121.573 121.223 -0.040 0.000 2.042 232 L HA -0.197 4.147 4.340 0.007 0.000 0.210 232 L C 2.316 179.115 176.870 -0.119 0.000 1.076 232 L CA 2.029 56.800 54.840 -0.115 0.000 0.749 232 L CB -1.299 40.752 42.059 -0.013 0.000 0.893 232 L HN 0.194 nan 8.230 nan 0.000 0.432 233 E N -0.583 119.584 120.200 -0.056 0.000 2.472 233 E HA 0.006 4.360 4.350 0.007 0.000 0.200 233 E C 1.528 178.093 176.600 -0.058 0.000 1.046 233 E CA 0.737 57.113 56.400 -0.041 0.000 0.871 233 E CB -0.345 29.352 29.700 -0.006 0.000 0.806 233 E HN 0.469 nan 8.360 nan 0.000 0.533 234 G N 0.572 109.308 108.800 -0.106 0.000 2.162 234 G HA2 -0.392 3.572 3.960 0.007 0.000 0.260 234 G HA3 -0.392 3.572 3.960 0.007 0.000 0.260 234 G C 0.201 175.090 174.900 -0.019 0.000 0.976 234 G CA 0.526 45.567 45.100 -0.098 0.000 0.655 234 G HN 0.431 nan 8.290 nan 0.000 0.533 235 E N 0.006 120.212 120.200 0.009 0.000 2.392 235 E HA 0.462 4.816 4.350 0.007 0.000 0.256 235 E C -0.007 176.646 176.600 0.089 0.000 1.145 235 E CA -0.435 55.992 56.400 0.044 0.000 0.929 235 E CB 0.383 30.109 29.700 0.043 0.000 0.998 235 E HN 0.142 nan 8.360 nan 0.000 0.442 236 E N 3.064 123.320 120.200 0.093 0.000 2.113 236 E HA 0.262 4.616 4.350 0.007 0.000 0.273 236 E C -2.330 174.343 176.600 0.122 0.000 0.924 236 E CA -2.283 54.195 56.400 0.131 0.000 0.764 236 E CB 0.921 30.688 29.700 0.112 0.000 1.104 236 E HN 0.198 nan 8.360 nan 0.000 0.406 237 P HA 0.110 nan 4.420 nan 0.000 0.274 237 P C -0.267 177.103 177.300 0.116 0.000 1.237 237 P CA -0.511 62.657 63.100 0.114 0.000 0.793 237 P CB 0.884 32.650 31.700 0.109 0.000 0.977 238 T N 1.179 115.790 114.554 0.095 0.000 2.919 238 T HA 0.011 4.365 4.350 0.007 0.000 0.302 238 T C 1.506 176.269 174.700 0.104 0.000 1.031 238 T CA 0.003 62.157 62.100 0.090 0.000 1.127 238 T CB 0.113 69.024 68.868 0.072 0.000 0.952 238 T HN 0.359 nan 8.240 nan 0.000 0.540 239 E N 2.279 122.543 120.200 0.106 0.000 2.070 239 E HA -0.220 4.134 4.350 0.007 0.000 0.197 239 E C 1.853 178.520 176.600 0.111 0.000 1.004 239 E CA 1.557 58.029 56.400 0.121 0.000 0.805 239 E CB 0.044 29.811 29.700 0.112 0.000 0.744 239 E HN 0.641 nan 8.360 nan 0.000 0.451 240 E N 0.810 121.062 120.200 0.088 0.000 2.160 240 E HA -0.185 4.170 4.350 0.007 0.000 0.195 240 E C 1.775 178.427 176.600 0.087 0.000 0.991 240 E CA 1.047 57.494 56.400 0.078 0.000 0.810 240 E CB -0.062 29.674 29.700 0.060 0.000 0.742 240 E HN 0.336 nan 8.360 nan 0.000 0.466 241 E N 0.153 120.406 120.200 0.089 0.000 2.028 241 E HA -0.098 4.256 4.350 0.007 0.000 0.190 241 E C 2.104 178.766 176.600 0.104 0.000 0.984 241 E CA 0.725 57.179 56.400 0.089 0.000 0.800 241 E CB -0.133 29.616 29.700 0.083 0.000 0.758 241 E HN 0.191 nan 8.360 nan 0.000 0.448 242 L N 0.720 122.010 121.223 0.111 0.000 1.989 242 L HA -0.212 4.132 4.340 0.007 0.000 0.211 242 L C 2.541 179.506 176.870 0.157 0.000 1.071 242 L CA 0.898 55.807 54.840 0.115 0.000 0.749 242 L CB -0.575 41.553 42.059 0.115 0.000 0.890 242 L HN 0.066 nan 8.230 nan 0.000 0.431 243 V N 0.102 120.136 119.914 0.200 0.000 2.469 243 V HA -0.317 3.807 4.120 0.007 0.000 0.251 243 V C 2.649 178.906 176.094 0.270 0.000 1.064 243 V CA 1.891 64.376 62.300 0.309 0.000 1.066 243 V CB -0.825 31.114 31.823 0.193 0.000 0.667 243 V HN 0.512 nan 8.190 nan 0.000 0.461 244 A N -0.565 122.351 122.820 0.160 0.000 1.970 244 A HA 0.131 4.455 4.320 0.007 0.000 0.216 244 A C 2.355 180.002 177.584 0.104 0.000 1.170 244 A CA 1.500 53.610 52.037 0.121 0.000 0.645 244 A CB -0.477 18.576 19.000 0.088 0.000 0.816 244 A HN 0.528 nan 8.150 nan 0.000 0.447 245 A N -0.069 122.817 122.820 0.109 0.000 1.897 245 A HA 0.051 4.376 4.320 0.007 0.000 0.215 245 A C 1.957 179.546 177.584 0.009 0.000 1.181 245 A CA 1.282 53.383 52.037 0.107 0.000 0.620 245 A CB -0.395 18.706 19.000 0.169 0.000 0.821 245 A HN 0.356 nan 8.150 nan 0.000 0.443 246 I N -0.125 120.454 120.570 0.016 0.000 2.286 246 I HA -0.194 3.980 4.170 0.007 0.000 0.248 246 I C 2.520 178.542 176.117 -0.160 0.000 1.115 246 I CA 1.591 62.807 61.300 -0.141 0.000 1.392 246 I CB -1.032 36.798 38.000 -0.284 0.000 1.065 246 I HN 0.455 nan 8.210 nan 0.000 0.418 247 R N 1.321 121.868 120.500 0.078 0.000 2.070 247 R HA -0.221 4.123 4.340 0.007 0.000 0.233 247 R C 2.376 178.650 176.300 -0.044 0.000 1.137 247 R CA 1.844 58.034 56.100 0.150 0.000 0.945 247 R CB -0.202 30.228 30.300 0.216 0.000 0.845 247 R HN 0.183 nan 8.270 nan 0.000 0.430 248 K N -0.569 119.780 120.400 -0.085 0.000 2.034 248 K HA -0.167 4.158 4.320 0.007 0.000 0.214 248 K C 1.954 178.331 176.600 -0.371 0.000 1.051 248 K CA 2.032 58.228 56.287 -0.151 0.000 0.931 248 K CB -0.543 31.905 32.500 -0.087 0.000 0.715 248 K HN 0.380 nan 8.250 nan 0.000 0.446 249 G N -0.316 108.026 108.800 -0.762 0.000 2.421 249 G HA2 -0.232 3.732 3.960 0.007 0.000 0.216 249 G HA3 -0.232 3.732 3.960 0.007 0.000 0.216 249 G C 1.424 176.043 174.900 -0.468 0.000 1.171 249 G CA 1.393 45.794 45.100 -1.165 0.000 0.775 249 G HN 0.380 nan 8.290 nan 0.000 0.543 250 T N 1.297 115.678 114.554 -0.288 0.000 2.759 250 T HA -0.049 4.305 4.350 0.007 0.000 0.269 250 T C 2.288 176.939 174.700 -0.083 0.000 1.042 250 T CA 0.960 62.984 62.100 -0.126 0.000 1.140 250 T CB -0.128 68.711 68.868 -0.048 0.000 0.864 250 T HN 0.260 nan 8.240 nan 0.000 0.455 251 I N 0.776 121.295 120.570 -0.085 0.000 3.059 251 I HA -0.024 4.150 4.170 0.007 0.000 0.270 251 I C 1.242 177.326 176.117 -0.055 0.000 1.238 251 I CA 0.742 62.012 61.300 -0.051 0.000 1.478 251 I CB -0.104 37.879 38.000 -0.029 0.000 1.097 251 I HN 0.042 nan 8.210 nan 0.000 0.455 252 D N 0.550 120.897 120.400 -0.089 0.000 2.328 252 D HA 0.129 4.774 4.640 0.007 0.000 0.221 252 D C 0.638 176.926 176.300 -0.021 0.000 1.072 252 D CA 0.131 54.102 54.000 -0.049 0.000 0.850 252 D CB 0.450 41.217 40.800 -0.056 0.000 0.922 252 D HN -0.063 nan 8.370 nan 0.000 0.516 253 L N 0.030 121.234 121.223 -0.032 0.000 3.717 253 L HA -0.247 4.097 4.340 0.007 0.000 0.411 253 L C 1.127 178.023 176.870 0.044 0.000 1.233 253 L CA 0.647 55.487 54.840 0.001 0.000 0.917 253 L CB -1.475 40.588 42.059 0.007 0.000 1.902 253 L HN 0.077 nan 8.230 nan 0.000 0.894 254 K N -0.478 119.940 120.400 0.031 0.000 2.370 254 K HA 0.489 4.814 4.320 0.007 0.000 0.194 254 K C 0.793 177.476 176.600 0.138 0.000 1.070 254 K CA 0.775 57.134 56.287 0.121 0.000 0.998 254 K CB 1.160 33.804 32.500 0.241 0.000 0.911 254 K HN 0.670 nan 8.250 nan 0.000 0.533 255 I N -3.138 117.467 120.570 0.057 0.000 3.195 255 I HA 0.450 4.624 4.170 0.007 0.000 0.313 255 I C -1.303 174.850 176.117 0.060 0.000 1.237 255 I CA -0.834 60.508 61.300 0.071 0.000 0.963 255 I CB 2.627 40.657 38.000 0.051 0.000 1.278 255 I HN -0.306 nan 8.210 nan 0.000 0.460 256 T N 2.498 117.100 114.554 0.081 0.000 3.008 256 T HA 0.441 4.795 4.350 0.007 0.000 0.328 256 T C -2.738 171.983 174.700 0.034 0.000 1.020 256 T CA -0.905 61.265 62.100 0.118 0.000 1.043 256 T CB 1.306 70.352 68.868 0.296 0.000 1.010 256 T HN 0.392 nan 8.240 nan 0.000 0.466 257 P HA 0.235 nan 4.420 nan 0.000 0.268 257 P C -0.849 176.312 177.300 -0.232 0.000 1.205 257 P CA -0.302 62.665 63.100 -0.222 0.000 0.771 257 P CB 0.608 32.200 31.700 -0.180 0.000 0.858 258 V N 4.722 124.344 119.914 -0.487 0.000 2.444 258 V HA 0.454 4.578 4.120 0.007 0.000 0.294 258 V C -0.339 175.430 176.094 -0.542 0.000 1.022 258 V CA -0.303 61.817 62.300 -0.300 0.000 0.850 258 V CB 0.665 32.385 31.823 -0.171 0.000 0.992 258 V HN 0.348 nan 8.190 nan 0.000 0.426 259 F N 5.185 125.215 119.950 0.133 0.000 2.556 259 F HA 0.822 5.353 4.527 0.007 0.000 0.327 259 F C -0.066 175.842 175.800 0.179 0.000 1.059 259 F CA -1.056 57.046 58.000 0.170 0.000 0.953 259 F CB 1.733 40.867 39.000 0.224 0.000 1.227 259 F HN 0.326 nan 8.300 nan 0.000 0.478 260 L N -0.050 121.354 121.223 0.303 0.000 2.277 260 L HA 1.106 5.450 4.340 0.007 0.000 0.254 260 L C -0.409 176.589 176.870 0.214 0.000 1.044 260 L CA -0.716 54.135 54.840 0.018 0.000 0.842 260 L CB 1.214 43.162 42.059 -0.185 0.000 1.422 260 L HN 0.821 nan 8.230 nan 0.000 0.422 261 G N -0.216 108.520 108.800 -0.106 0.000 2.327 261 G HA2 0.386 4.350 3.960 0.007 0.000 0.291 261 G HA3 0.386 4.350 3.960 0.007 0.000 0.291 261 G C -1.789 173.110 174.900 -0.002 0.000 1.290 261 G CA 0.077 45.298 45.100 0.202 0.000 0.857 261 G HN 1.014 nan 8.290 nan 0.000 0.520 262 S N -0.681 115.146 115.700 0.211 0.000 2.774 262 S HA 0.636 5.110 4.470 0.007 0.000 0.297 262 S C 1.139 175.839 174.600 0.166 0.000 1.143 262 S CA 0.824 59.097 58.200 0.122 0.000 1.090 262 S CB 0.968 64.267 63.200 0.165 0.000 1.019 262 S HN 1.971 nan 8.310 nan 0.000 0.482 263 A N 5.025 127.961 122.820 0.193 0.000 1.858 263 A HA 0.020 4.344 4.320 0.007 0.000 0.216 263 A C 1.946 179.589 177.584 0.099 0.000 1.190 263 A CA 1.388 53.530 52.037 0.175 0.000 0.617 263 A CB -0.967 18.139 19.000 0.177 0.000 0.827 263 A HN 0.851 nan 8.150 nan 0.000 0.443 264 L N -1.079 120.184 121.223 0.066 0.000 2.079 264 L HA -0.127 4.217 4.340 0.007 0.000 0.210 264 L C 1.137 178.027 176.870 0.032 0.000 1.081 264 L CA 1.335 56.196 54.840 0.036 0.000 0.752 264 L CB -0.092 41.981 42.059 0.023 0.000 0.896 264 L HN 0.153 nan 8.230 nan 0.000 0.433 265 K N 0.619 121.047 120.400 0.046 0.000 2.520 265 K HA 0.107 4.431 4.320 0.007 0.000 0.205 265 K C -0.053 176.554 176.600 0.012 0.000 1.035 265 K CA -0.134 56.173 56.287 0.033 0.000 1.188 265 K CB -0.507 32.024 32.500 0.052 0.000 0.894 265 K HN 0.303 nan 8.250 nan 0.000 0.497 266 N N 2.036 120.764 118.700 0.048 0.000 2.699 266 N HA -0.216 4.528 4.740 0.007 0.000 0.256 266 N C -0.954 174.487 175.510 -0.115 0.000 0.993 266 N CA 1.059 54.169 53.050 0.099 0.000 0.759 266 N CB -0.710 37.880 38.487 0.172 0.000 0.906 266 N HN 0.354 nan 8.380 nan 0.000 0.541 267 K N -0.279 119.980 120.400 -0.235 0.000 2.471 267 K HA 0.455 4.779 4.320 0.007 0.000 0.252 267 K C 0.993 177.439 176.600 -0.255 0.000 0.938 267 K CA -0.026 55.832 56.287 -0.714 0.000 0.796 267 K CB 1.900 34.008 32.500 -0.652 0.000 1.161 267 K HN 0.180 nan 8.250 nan 0.000 0.425 268 G N 0.886 109.543 108.800 -0.239 0.000 2.199 268 G HA2 -0.297 3.667 3.960 0.007 0.000 0.254 268 G HA3 -0.297 3.667 3.960 0.007 0.000 0.254 268 G C 0.842 175.647 174.900 -0.159 0.000 0.982 268 G CA 0.443 45.560 45.100 0.029 0.000 0.632 268 G HN 0.388 nan 8.290 nan 0.000 0.529 269 V N 0.829 120.564 119.914 -0.298 0.000 2.343 269 V HA -0.237 3.888 4.120 0.007 0.000 0.247 269 V C 2.824 178.509 176.094 -0.681 0.000 1.051 269 V CA 2.927 64.924 62.300 -0.504 0.000 1.036 269 V CB -0.576 31.020 31.823 -0.377 0.000 0.654 269 V HN 0.636 nan 8.190 nan 0.000 0.451 270 Q N -0.288 119.057 119.800 -0.759 0.000 2.124 270 Q HA -0.139 4.205 4.340 0.007 0.000 0.202 270 Q C 2.241 177.989 176.000 -0.420 0.000 0.977 270 Q CA 1.405 56.805 55.803 -0.672 0.000 0.850 270 Q CB -0.267 28.227 28.738 -0.407 0.000 0.901 270 Q HN 0.539 nan 8.270 nan 0.000 0.429 271 L N 0.006 121.027 121.223 -0.335 0.000 2.217 271 L HA -0.147 4.198 4.340 0.007 0.000 0.211 271 L C 2.187 178.838 176.870 -0.364 0.000 1.107 271 L CA 0.297 54.988 54.840 -0.248 0.000 0.783 271 L CB -0.203 41.787 42.059 -0.115 0.000 0.919 271 L HN 0.230 nan 8.230 nan 0.000 0.442 272 L N -0.786 120.139 121.223 -0.497 0.000 2.072 272 L HA -0.131 4.213 4.340 0.007 0.000 0.205 272 L C 2.221 178.704 176.870 -0.646 0.000 1.079 272 L CA 1.445 55.886 54.840 -0.665 0.000 0.752 272 L CB -0.306 41.275 42.059 -0.798 0.000 0.906 272 L HN 0.047 nan 8.230 nan 0.000 0.436 273 L N -0.252 120.543 121.223 -0.714 0.000 2.079 273 L HA -0.230 4.114 4.340 0.007 0.000 0.210 273 L C 2.178 178.736 176.870 -0.520 0.000 1.081 273 L CA 1.577 55.895 54.840 -0.871 0.000 0.752 273 L CB -1.621 39.323 42.059 -1.859 0.000 0.896 273 L HN 0.348 nan 8.230 nan 0.000 0.433 274 D N -0.516 119.705 120.400 -0.299 0.000 2.178 274 D HA -0.074 4.570 4.640 0.007 0.000 0.202 274 D C 2.227 178.349 176.300 -0.297 0.000 0.974 274 D CA 1.265 55.200 54.000 -0.108 0.000 0.841 274 D CB 0.155 40.932 40.800 -0.038 0.000 0.953 274 D HN 0.265 nan 8.370 nan 0.000 0.478 275 A N 0.602 123.147 122.820 -0.458 0.000 1.898 275 A HA -0.113 4.211 4.320 0.007 0.000 0.216 275 A C 2.496 179.864 177.584 -0.359 0.000 1.181 275 A CA 0.984 52.711 52.037 -0.517 0.000 0.620 275 A CB -0.737 17.522 19.000 -1.235 0.000 0.819 275 A HN 0.115 nan 8.150 nan 0.000 0.442 276 V N 0.456 120.162 119.914 -0.347 0.000 2.231 276 V HA -0.323 3.801 4.120 0.007 0.000 0.250 276 V C 2.789 178.758 176.094 -0.208 0.000 1.058 276 V CA 2.428 64.586 62.300 -0.237 0.000 1.022 276 V CB -1.220 30.454 31.823 -0.249 0.000 0.640 276 V HN 0.621 nan 8.190 nan 0.000 0.445 277 V N -1.583 118.181 119.914 -0.250 0.000 2.427 277 V HA -0.187 3.937 4.120 0.007 0.000 0.248 277 V C 2.089 177.987 176.094 -0.326 0.000 1.051 277 V CA 2.283 64.396 62.300 -0.312 0.000 1.048 277 V CB -0.920 30.616 31.823 -0.479 0.000 0.666 277 V HN 0.450 nan 8.190 nan 0.000 0.456 278 D N -0.211 119.918 120.400 -0.451 0.000 2.117 278 D HA -0.082 4.562 4.640 0.007 0.000 0.198 278 D C 1.885 177.793 176.300 -0.653 0.000 0.982 278 D CA 2.039 55.625 54.000 -0.690 0.000 0.828 278 D CB -0.157 39.911 40.800 -1.220 0.000 0.967 278 D HN 0.697 nan 8.370 nan 0.000 0.464 279 Y N -0.875 119.416 120.300 -0.015 0.000 2.467 279 Y HA 0.279 4.833 4.550 0.007 0.000 0.259 279 Y C 0.483 176.373 175.900 -0.017 0.000 1.084 279 Y CA -0.718 57.385 58.100 0.005 0.000 1.275 279 Y CB 0.034 38.535 38.460 0.068 0.000 1.208 279 Y HN -0.173 nan 8.280 nan 0.000 0.511 280 L N 4.606 125.865 121.223 0.059 0.000 2.380 280 L HA 0.296 4.640 4.340 0.007 0.000 0.273 280 L C -2.088 174.783 176.870 0.001 0.000 1.138 280 L CA -2.448 52.401 54.840 0.016 0.000 0.832 280 L CB 0.153 42.192 42.059 -0.033 0.000 1.124 280 L HN -0.096 nan 8.230 nan 0.000 0.454 281 P HA 0.094 nan 4.420 nan 0.000 0.269 281 P C -0.869 176.429 177.300 -0.003 0.000 1.215 281 P CA -0.334 62.767 63.100 0.000 0.000 0.780 281 P CB 0.890 32.588 31.700 -0.005 0.000 0.898 282 S N 1.322 117.025 115.700 0.005 0.000 2.718 282 S HA 0.469 4.943 4.470 0.007 0.000 0.300 282 S C -2.016 172.585 174.600 0.002 0.000 1.117 282 S CA -1.675 56.526 58.200 0.001 0.000 1.002 282 S CB 0.745 63.946 63.200 0.002 0.000 1.092 282 S HN 0.178 nan 8.310 nan 0.000 0.542 283 P HA 0.025 nan 4.420 nan 0.000 0.234 283 P C 0.573 177.892 177.300 0.032 0.000 1.162 283 P CA 0.549 63.661 63.100 0.021 0.000 0.759 283 P CB 0.007 31.725 31.700 0.030 0.000 0.813 284 L N -1.285 119.951 121.223 0.021 0.000 2.556 284 L HA 0.110 4.454 4.340 0.007 0.000 0.226 284 L C 1.579 178.465 176.870 0.026 0.000 1.089 284 L CA 1.428 56.285 54.840 0.028 0.000 0.864 284 L CB -0.626 41.444 42.059 0.018 0.000 1.067 284 L HN -0.090 nan 8.230 nan 0.000 0.477 285 D N 0.031 120.442 120.400 0.018 0.000 2.289 285 D HA 0.097 4.742 4.640 0.007 0.000 0.207 285 D C 0.939 177.246 176.300 0.012 0.000 0.966 285 D CA 0.538 54.547 54.000 0.015 0.000 0.868 285 D CB 0.812 41.619 40.800 0.012 0.000 0.943 285 D HN 0.340 nan 8.370 nan 0.000 0.514 286 I N -0.709 119.868 120.570 0.012 0.000 2.676 286 I HA 0.426 4.600 4.170 0.007 0.000 0.309 286 I C -2.413 173.709 176.117 0.008 0.000 0.990 286 I CA -2.229 59.076 61.300 0.008 0.000 1.168 286 I CB 1.171 39.174 38.000 0.006 0.000 1.343 286 I HN -0.338 nan 8.210 nan 0.000 0.482 287 P HA 0.223 nan 4.420 nan 0.000 0.271 287 P C -2.518 174.758 177.300 -0.039 0.000 1.218 287 P CA -0.791 62.300 63.100 -0.015 0.000 0.780 287 P CB -0.155 31.537 31.700 -0.014 0.000 0.901 288 P HA 0.058 nan 4.420 nan 0.000 0.268 288 P C 0.252 177.468 177.300 -0.140 0.000 1.208 288 P CA -0.225 62.790 63.100 -0.141 0.000 0.777 288 P CB 0.534 32.016 31.700 -0.363 0.000 0.875 289 I N 1.474 121.949 120.570 -0.158 0.000 2.938 289 I HA 0.062 4.236 4.170 0.007 0.000 0.285 289 I C 0.454 176.432 176.117 -0.232 0.000 1.182 289 I CA 0.167 61.313 61.300 -0.257 0.000 1.388 289 I CB 0.080 37.702 38.000 -0.630 0.000 1.390 289 I HN 0.267 nan 8.210 nan 0.000 0.600 290 K N 3.968 124.252 120.400 -0.195 0.000 2.324 290 K HA 0.714 5.038 4.320 0.007 0.000 0.253 290 K C -0.578 175.945 176.600 -0.129 0.000 0.932 290 K CA -0.793 55.411 56.287 -0.137 0.000 0.799 290 K CB 1.849 34.297 32.500 -0.086 0.000 1.154 290 K HN 0.824 nan 8.250 nan 0.000 0.425 291 G N 0.567 109.311 108.800 -0.094 0.000 2.605 291 G HA2 0.492 4.456 3.960 0.007 0.000 0.296 291 G HA3 0.492 4.456 3.960 0.007 0.000 0.296 291 G C -1.098 173.782 174.900 -0.033 0.000 1.304 291 G CA -0.403 44.656 45.100 -0.069 0.000 0.941 291 G HN 0.373 nan 8.290 nan 0.000 0.475 292 T N 0.681 115.223 114.554 -0.020 0.000 2.824 292 T HA 0.610 4.964 4.350 0.007 0.000 0.280 292 T C 0.740 175.445 174.700 0.007 0.000 0.995 292 T CA -0.303 61.794 62.100 -0.005 0.000 1.009 292 T CB 1.428 70.293 68.868 -0.004 0.000 0.955 292 T HN 0.866 nan 8.240 nan 0.000 0.452 293 T N 0.607 115.168 114.554 0.012 0.000 2.847 293 T HA 0.350 4.704 4.350 0.007 0.000 0.279 293 T C -1.888 172.825 174.700 0.022 0.000 0.984 293 T CA -1.894 60.218 62.100 0.020 0.000 0.988 293 T CB 0.688 69.567 68.868 0.018 0.000 1.040 293 T HN 0.128 nan 8.240 nan 0.000 0.528 294 P HA -0.016 nan 4.420 nan 0.000 0.222 294 P C 0.890 178.202 177.300 0.021 0.000 1.147 294 P CA 0.793 63.910 63.100 0.028 0.000 0.790 294 P CB -0.012 31.709 31.700 0.035 0.000 0.780 295 E N -1.156 119.054 120.200 0.017 0.000 2.512 295 E HA 0.101 4.455 4.350 0.007 0.000 0.195 295 E C 1.330 177.937 176.600 0.012 0.000 1.083 295 E CA 0.590 56.998 56.400 0.013 0.000 0.873 295 E CB -0.616 29.091 29.700 0.011 0.000 0.897 295 E HN 0.191 nan 8.360 nan 0.000 0.514 296 G N 2.644 111.451 108.800 0.012 0.000 2.189 296 G HA2 -0.367 3.597 3.960 0.007 0.000 0.267 296 G HA3 -0.367 3.597 3.960 0.007 0.000 0.267 296 G C 0.144 175.048 174.900 0.007 0.000 0.975 296 G CA 0.552 45.658 45.100 0.010 0.000 0.644 296 G HN 0.451 nan 8.290 nan 0.000 0.537 297 E N 0.887 121.092 120.200 0.008 0.000 2.180 297 E HA 0.428 4.783 4.350 0.007 0.000 0.283 297 E C 0.562 177.165 176.600 0.005 0.000 1.061 297 E CA -0.614 55.791 56.400 0.008 0.000 0.861 297 E CB 0.805 30.511 29.700 0.010 0.000 1.056 297 E HN 0.102 nan 8.360 nan 0.000 0.407 298 V N 4.585 124.500 119.914 0.002 0.000 2.843 298 V HA 0.093 4.217 4.120 0.007 0.000 0.305 298 V C 0.132 176.225 176.094 -0.001 0.000 1.065 298 V CA 0.100 62.398 62.300 -0.004 0.000 1.116 298 V CB 1.394 33.212 31.823 -0.008 0.000 0.968 298 V HN 0.534 nan 8.190 nan 0.000 0.487 299 V N 3.820 123.729 119.914 -0.009 0.000 2.932 299 V HA 0.335 4.459 4.120 0.007 0.000 0.307 299 V C -0.416 175.662 176.094 -0.027 0.000 1.147 299 V CA -0.855 61.445 62.300 -0.000 0.000 0.951 299 V CB 2.228 34.059 31.823 0.014 0.000 1.031 299 V HN 0.886 nan 8.190 nan 0.000 0.426 300 E N 3.363 123.552 120.200 -0.019 0.000 2.089 300 E HA 0.434 4.788 4.350 0.007 0.000 0.284 300 E C -0.876 175.638 176.600 -0.144 0.000 1.023 300 E CA -0.283 56.042 56.400 -0.125 0.000 0.819 300 E CB 0.990 30.599 29.700 -0.152 0.000 1.076 300 E HN 0.472 nan 8.360 nan 0.000 0.396 301 I N 4.681 125.151 120.570 -0.165 0.000 2.322 301 I HA 0.100 4.274 4.170 0.007 0.000 0.292 301 I C -0.169 175.872 176.117 -0.127 0.000 1.060 301 I CA -0.375 60.886 61.300 -0.064 0.000 1.309 301 I CB 0.198 38.165 38.000 -0.055 0.000 1.415 301 I HN 0.439 nan 8.210 nan 0.000 0.492 302 H N 7.274 126.370 119.070 0.044 0.000 2.525 302 H HA 0.213 4.773 4.556 0.007 0.000 0.339 302 H C -1.879 173.495 175.328 0.078 0.000 1.109 302 H CA -1.914 54.166 56.048 0.054 0.000 1.352 302 H CB 0.491 30.278 29.762 0.041 0.000 1.461 302 H HN 0.383 nan 8.280 nan 0.000 0.533 303 P HA -0.049 nan 4.420 nan 0.000 0.235 303 P C -0.629 176.759 177.300 0.146 0.000 1.720 303 P CA 0.116 63.307 63.100 0.152 0.000 1.003 303 P CB -0.293 31.481 31.700 0.123 0.000 1.968 304 D N 2.598 123.084 120.400 0.143 0.000 2.473 304 D HA 0.138 4.782 4.640 0.007 0.000 0.226 304 D C -1.003 175.358 176.300 0.102 0.000 1.089 304 D CA -2.679 51.390 54.000 0.115 0.000 0.883 304 D CB 1.100 41.956 40.800 0.094 0.000 1.029 304 D HN 0.047 nan 8.370 nan 0.000 0.517 305 P HA -0.194 nan 4.420 nan 0.000 0.217 305 P C 0.253 177.580 177.300 0.043 0.000 1.148 305 P CA 1.080 64.230 63.100 0.084 0.000 0.834 305 P CB 0.341 32.138 31.700 0.161 0.000 0.783 306 N N -0.561 118.172 118.700 0.055 0.000 2.268 306 N HA 0.097 4.841 4.740 0.007 0.000 0.204 306 N C 1.236 176.767 175.510 0.035 0.000 1.124 306 N CA 0.279 53.350 53.050 0.036 0.000 0.838 306 N CB 0.253 38.762 38.487 0.037 0.000 0.994 306 N HN 0.184 nan 8.380 nan 0.000 0.489 307 G N 1.643 110.471 108.800 0.046 0.000 2.532 307 G HA2 0.339 4.303 3.960 0.007 0.000 0.291 307 G HA3 0.339 4.303 3.960 0.007 0.000 0.291 307 G C -2.542 172.385 174.900 0.046 0.000 1.349 307 G CA -0.975 44.153 45.100 0.047 0.000 1.038 307 G HN -0.053 nan 8.290 nan 0.000 0.518 308 P HA 0.175 nan 4.420 nan 0.000 0.276 308 P C -0.240 177.096 177.300 0.061 0.000 1.230 308 P CA -0.512 62.617 63.100 0.048 0.000 0.776 308 P CB 1.439 33.165 31.700 0.044 0.000 0.888 309 L N 2.997 124.254 121.223 0.057 0.000 2.514 309 L HA 0.350 4.694 4.340 0.007 0.000 0.280 309 L C -0.268 176.654 176.870 0.088 0.000 1.223 309 L CA 0.541 55.420 54.840 0.065 0.000 0.864 309 L CB -0.537 41.555 42.059 0.055 0.000 1.118 309 L HN 0.595 nan 8.230 nan 0.000 0.494 310 A N 4.596 127.482 122.820 0.109 0.000 2.485 310 A HA 0.861 5.186 4.320 0.007 0.000 0.285 310 A C -0.972 176.732 177.584 0.199 0.000 1.045 310 A CA 0.070 52.193 52.037 0.142 0.000 0.792 310 A CB 0.812 19.897 19.000 0.141 0.000 1.307 310 A HN 1.377 nan 8.150 nan 0.000 0.406 311 A N 2.163 125.094 122.820 0.184 0.000 2.556 311 A HA 0.866 5.191 4.320 0.007 0.000 0.294 311 A C -1.588 176.128 177.584 0.219 0.000 1.091 311 A CA -0.523 51.630 52.037 0.194 0.000 0.704 311 A CB 1.485 20.539 19.000 0.090 0.000 1.300 311 A HN 1.483 nan 8.150 nan 0.000 0.406 312 L N 1.177 122.554 121.223 0.257 0.000 2.365 312 L HA 0.815 5.159 4.340 0.007 0.000 0.273 312 L C -0.105 176.911 176.870 0.242 0.000 1.000 312 L CA -0.377 54.617 54.840 0.257 0.000 0.819 312 L CB 1.489 43.765 42.059 0.363 0.000 1.284 312 L HN 1.006 nan 8.230 nan 0.000 0.418 313 A N 4.334 127.257 122.820 0.171 0.000 2.252 313 A HA 0.474 4.798 4.320 0.007 0.000 0.309 313 A C -0.143 177.537 177.584 0.160 0.000 1.285 313 A CA -0.510 51.588 52.037 0.102 0.000 0.900 313 A CB -0.030 18.988 19.000 0.030 0.000 1.157 313 A HN 0.731 nan 8.150 nan 0.000 0.536 314 F N 0.608 120.599 119.950 0.068 0.000 2.746 314 F HA 0.555 5.086 4.527 0.007 0.000 0.313 314 F C 0.245 176.071 175.800 0.043 0.000 1.095 314 F CA -0.385 57.641 58.000 0.044 0.000 1.224 314 F CB 0.650 39.661 39.000 0.018 0.000 1.060 314 F HN 0.263 nan 8.300 nan 0.000 0.584 315 K N 2.202 122.337 120.400 -0.441 0.000 2.656 315 K HA 0.310 4.634 4.320 0.007 0.000 0.253 315 K C -1.480 175.082 176.600 -0.063 0.000 1.002 315 K CA -0.274 55.866 56.287 -0.245 0.000 0.880 315 K CB 1.919 34.159 32.500 -0.434 0.000 1.232 315 K HN 0.063 nan 8.250 nan 0.000 0.456 316 I N 4.960 125.531 120.570 0.002 0.000 2.291 316 I HA 0.318 4.492 4.170 0.007 0.000 0.292 316 I C 0.416 176.572 176.117 0.066 0.000 1.064 316 I CA -0.264 61.056 61.300 0.033 0.000 1.269 316 I CB 0.565 38.580 38.000 0.025 0.000 1.418 316 I HN 0.477 nan 8.210 nan 0.000 0.485 317 M N 4.200 123.869 119.600 0.116 0.000 2.644 317 M HA 0.612 5.096 4.480 0.007 0.000 0.316 317 M C -0.140 176.188 176.300 0.046 0.000 1.200 317 M CA -0.604 54.760 55.300 0.106 0.000 0.944 317 M CB 2.519 35.255 32.600 0.227 0.000 1.691 317 M HN 0.592 nan 8.290 nan 0.000 0.471 318 A N 2.305 125.140 122.820 0.025 0.000 2.644 318 A HA 0.250 4.575 4.320 0.007 0.000 0.343 318 A C -0.681 176.885 177.584 -0.029 0.000 1.324 318 A CA -0.664 51.374 52.037 0.001 0.000 0.846 318 A CB -0.112 18.901 19.000 0.021 0.000 1.128 318 A HN 0.807 nan 8.150 nan 0.000 0.484 319 D N 3.275 123.639 120.400 -0.060 0.000 2.414 319 D HA 0.097 4.741 4.640 0.007 0.000 0.242 319 D C -1.480 174.727 176.300 -0.155 0.000 1.129 319 D CA -1.164 52.756 54.000 -0.133 0.000 0.885 319 D CB 1.338 42.035 40.800 -0.171 0.000 1.198 319 D HN 0.151 nan 8.370 nan 0.000 0.437 320 P HA -0.159 nan 4.420 nan 0.000 0.214 320 P C -0.521 176.779 177.300 0.001 0.000 1.169 320 P CA 1.480 64.510 63.100 -0.116 0.000 0.908 320 P CB -0.080 31.539 31.700 -0.135 0.000 0.791 321 Y N -1.419 118.885 120.300 0.006 0.000 2.491 321 Y HA 0.524 5.078 4.550 0.007 0.000 0.334 321 Y C 0.832 176.728 175.900 -0.007 0.000 0.969 321 Y CA -1.511 56.590 58.100 0.002 0.000 1.241 321 Y CB 0.248 38.710 38.460 0.004 0.000 1.105 321 Y HN -0.075 nan 8.280 nan 0.000 0.503 322 V N -0.491 119.472 119.914 0.083 0.000 2.541 322 V HA 0.079 4.203 4.120 0.007 0.000 0.743 322 V C 0.599 176.688 176.094 -0.008 0.000 2.802 322 V CA 0.233 62.548 62.300 0.025 0.000 3.872 322 V CB -1.703 30.118 31.823 -0.004 0.000 1.038 322 V HN 2.134 nan 8.190 nan 0.000 1.165 323 G N 2.291 111.088 108.800 -0.006 0.000 2.552 323 G HA2 -0.226 3.739 3.960 0.007 0.000 0.267 323 G HA3 -0.226 3.739 3.960 0.007 0.000 0.267 323 G C 0.032 174.914 174.900 -0.029 0.000 1.174 323 G CA 1.321 46.416 45.100 -0.009 0.000 0.955 323 G HN 2.165 nan 8.290 nan 0.000 0.546 324 R N 0.499 120.980 120.500 -0.031 0.000 2.207 324 R HA 0.700 5.044 4.340 0.007 0.000 0.334 324 R C -0.449 175.797 176.300 -0.090 0.000 1.013 324 R CA -0.798 55.277 56.100 -0.041 0.000 0.858 324 R CB 0.908 31.196 30.300 -0.020 0.000 1.094 324 R HN 0.423 nan 8.270 nan 0.000 0.457 325 L N 3.309 124.455 121.223 -0.129 0.000 2.264 325 L HA 0.267 4.612 4.340 0.007 0.000 0.289 325 L C 0.383 177.082 176.870 -0.283 0.000 1.044 325 L CA -0.481 54.191 54.840 -0.280 0.000 0.807 325 L CB 1.911 43.717 42.059 -0.423 0.000 1.192 325 L HN 0.764 nan 8.230 nan 0.000 0.425 326 T N 3.139 117.520 114.554 -0.289 0.000 2.753 326 T HA 0.432 4.786 4.350 0.007 0.000 0.297 326 T C -0.315 174.200 174.700 -0.309 0.000 0.981 326 T CA -0.421 61.558 62.100 -0.201 0.000 0.956 326 T CB -0.104 68.692 68.868 -0.120 0.000 0.936 326 T HN 0.145 nan 8.240 nan 0.000 0.463 327 F N 6.112 125.869 119.950 -0.322 0.000 2.456 327 F HA 0.471 5.002 4.527 0.007 0.000 0.358 327 F C 0.792 176.330 175.800 -0.437 0.000 1.095 327 F CA -0.805 56.932 58.000 -0.439 0.000 1.216 327 F CB 0.774 39.334 39.000 -0.733 0.000 1.125 327 F HN 0.498 nan 8.300 nan 0.000 0.549 328 I N 2.340 122.915 120.570 0.009 0.000 2.730 328 I HA 0.627 4.802 4.170 0.007 0.000 0.298 328 I C -1.300 174.973 176.117 0.261 0.000 1.089 328 I CA -1.264 60.126 61.300 0.149 0.000 1.041 328 I CB 1.943 39.975 38.000 0.054 0.000 1.235 328 I HN 0.569 nan 8.210 nan 0.000 0.423 329 R N 4.944 125.582 120.500 0.229 0.000 2.295 329 R HA 0.648 4.992 4.340 0.007 0.000 0.324 329 R C -1.723 174.432 176.300 -0.241 0.000 0.968 329 R CA -0.457 55.598 56.100 -0.076 0.000 0.837 329 R CB 1.005 31.118 30.300 -0.312 0.000 1.133 329 R HN 0.552 nan 8.270 nan 0.000 0.450 330 V N 6.797 126.572 119.914 -0.232 0.000 2.465 330 V HA 0.216 4.341 4.120 0.007 0.000 0.279 330 V C 0.061 175.973 176.094 -0.304 0.000 1.045 330 V CA -0.213 61.989 62.300 -0.164 0.000 0.938 330 V CB 1.002 32.779 31.823 -0.076 0.000 0.986 330 V HN 0.822 nan 8.190 nan 0.000 0.467 331 Y N 2.041 122.360 120.300 0.031 0.000 2.464 331 Y HA 0.180 4.734 4.550 0.007 0.000 0.288 331 Y C 1.419 177.342 175.900 0.038 0.000 1.133 331 Y CA 0.708 58.822 58.100 0.024 0.000 1.223 331 Y CB 0.541 39.007 38.460 0.010 0.000 1.187 331 Y HN 0.749 nan 8.280 nan 0.000 0.539 332 S N -1.406 114.398 115.700 0.174 0.000 2.638 332 S HA 0.717 5.191 4.470 0.007 0.000 0.274 332 S C 0.104 174.755 174.600 0.085 0.000 1.157 332 S CA -0.436 57.841 58.200 0.128 0.000 0.826 332 S CB 1.690 64.974 63.200 0.140 0.000 1.139 332 S HN 0.834 nan 8.310 nan 0.000 0.474 333 G N 0.599 109.439 108.800 0.067 0.000 2.601 333 G HA2 0.057 4.021 3.960 0.007 0.000 0.252 333 G HA3 0.057 4.021 3.960 0.007 0.000 0.252 333 G C -0.386 174.515 174.900 0.003 0.000 1.294 333 G CA -0.089 45.034 45.100 0.039 0.000 0.912 333 G HN 1.584 nan 8.290 nan 0.000 0.574 334 T N 0.007 114.556 114.554 -0.008 0.000 2.912 334 T HA 0.547 4.901 4.350 0.007 0.000 0.299 334 T C -0.834 173.850 174.700 -0.027 0.000 1.052 334 T CA -0.350 61.725 62.100 -0.042 0.000 0.996 334 T CB 1.905 70.737 68.868 -0.059 0.000 1.070 334 T HN 0.992 nan 8.240 nan 0.000 0.465 335 L N 2.928 124.127 121.223 -0.041 0.000 2.272 335 L HA 0.612 4.956 4.340 0.007 0.000 0.289 335 L C -0.023 176.821 176.870 -0.043 0.000 1.032 335 L CA 0.203 55.025 54.840 -0.030 0.000 0.810 335 L CB 1.184 43.224 42.059 -0.031 0.000 1.205 335 L HN 0.616 nan 8.230 nan 0.000 0.422 336 T N 3.001 117.533 114.554 -0.036 0.000 2.902 336 T HA 0.314 4.668 4.350 0.007 0.000 0.283 336 T C -0.193 174.474 174.700 -0.055 0.000 1.009 336 T CA -0.235 61.840 62.100 -0.043 0.000 1.051 336 T CB 1.334 70.183 68.868 -0.032 0.000 0.999 336 T HN 0.671 nan 8.240 nan 0.000 0.474 337 S N 1.708 117.375 115.700 -0.056 0.000 2.572 337 S HA 0.441 4.915 4.470 0.007 0.000 0.279 337 S C 1.026 175.578 174.600 -0.080 0.000 1.341 337 S CA 0.434 58.595 58.200 -0.065 0.000 1.043 337 S CB -0.186 62.983 63.200 -0.052 0.000 0.887 337 S HN 1.247 nan 8.310 nan 0.000 0.516 338 G N 2.939 111.675 108.800 -0.105 0.000 2.342 338 G HA2 -0.076 3.888 3.960 0.007 0.000 0.267 338 G HA3 -0.076 3.888 3.960 0.007 0.000 0.267 338 G C 0.006 174.805 174.900 -0.169 0.000 0.922 338 G CA 0.490 45.507 45.100 -0.138 0.000 1.342 338 G HN 1.633 nan 8.290 nan 0.000 0.430 339 S N 0.195 115.744 115.700 -0.252 0.000 2.724 339 S HA 0.787 5.261 4.470 0.007 0.000 0.278 339 S C -1.162 173.191 174.600 -0.411 0.000 1.190 339 S CA -1.147 56.905 58.200 -0.246 0.000 0.860 339 S CB 1.456 64.609 63.200 -0.079 0.000 1.206 339 S HN 0.899 nan 8.310 nan 0.000 0.507 340 Y N 0.490 120.799 120.300 0.015 0.000 2.376 340 Y HA 0.666 5.220 4.550 0.007 0.000 0.340 340 Y C 0.082 176.008 175.900 0.043 0.000 0.965 340 Y CA -0.712 57.405 58.100 0.028 0.000 1.078 340 Y CB 2.124 40.606 38.460 0.036 0.000 1.193 340 Y HN 0.790 nan 8.280 nan 0.000 0.452 341 V N 0.149 120.180 119.914 0.194 0.000 2.919 341 V HA 0.575 4.699 4.120 0.007 0.000 0.316 341 V C -1.563 174.650 176.094 0.199 0.000 1.077 341 V CA -1.258 61.136 62.300 0.156 0.000 0.977 341 V CB 2.056 33.929 31.823 0.085 0.000 1.039 341 V HN 0.658 nan 8.190 nan 0.000 0.441 342 Y N 2.734 123.071 120.300 0.062 0.000 2.330 342 Y HA 0.506 5.061 4.550 0.007 0.000 0.336 342 Y C 0.312 176.237 175.900 0.042 0.000 1.036 342 Y CA -0.636 57.493 58.100 0.048 0.000 1.125 342 Y CB 1.404 39.885 38.460 0.036 0.000 1.194 342 Y HN 0.875 nan 8.280 nan 0.000 0.469 343 N N 3.953 122.328 118.700 -0.541 0.000 2.521 343 N HA 0.019 4.763 4.740 0.007 0.000 0.236 343 N C 0.747 175.959 175.510 -0.497 0.000 1.067 343 N CA 0.463 53.295 53.050 -0.363 0.000 0.939 343 N CB 1.025 39.361 38.487 -0.251 0.000 1.201 343 N HN 0.929 nan 8.380 nan 0.000 0.511 344 T N -0.779 113.678 114.554 -0.161 0.000 2.915 344 T HA -0.083 4.271 4.350 0.007 0.000 0.269 344 T C 1.234 175.928 174.700 -0.009 0.000 1.071 344 T CA 1.043 63.156 62.100 0.023 0.000 1.132 344 T CB -0.269 68.691 68.868 0.154 0.000 0.878 344 T HN 0.309 nan 8.240 nan 0.000 0.479 345 T N 1.245 115.777 114.554 -0.036 0.000 3.284 345 T HA 0.248 4.602 4.350 0.007 0.000 0.252 345 T C 0.880 175.556 174.700 -0.040 0.000 1.144 345 T CA 0.402 62.491 62.100 -0.019 0.000 1.021 345 T CB -0.118 68.745 68.868 -0.009 0.000 0.984 345 T HN 0.560 nan 8.240 nan 0.000 0.545 346 K N -0.924 119.427 120.400 -0.083 0.000 2.997 346 K HA 0.440 4.764 4.320 0.007 0.000 0.259 346 K C 0.690 177.229 176.600 -0.100 0.000 2.334 346 K CA 0.147 56.382 56.287 -0.086 0.000 1.377 346 K CB 0.672 33.111 32.500 -0.103 0.000 2.602 346 K HN 0.068 nan 8.250 nan 0.000 0.425 347 G N 2.175 110.829 108.800 -0.243 0.000 2.334 347 G HA2 -0.029 3.935 3.960 0.007 0.000 0.222 347 G HA3 -0.029 3.935 3.960 0.007 0.000 0.222 347 G C -0.943 173.868 174.900 -0.149 0.000 1.077 347 G CA -0.249 44.748 45.100 -0.172 0.000 0.861 347 G HN 0.263 nan 8.290 nan 0.000 0.508 348 R N -0.811 119.490 120.500 -0.331 0.000 2.740 348 R HA 0.795 5.139 4.340 0.007 0.000 0.273 348 R C -0.749 175.463 176.300 -0.147 0.000 0.998 348 R CA -1.211 54.817 56.100 -0.120 0.000 0.900 348 R CB 1.392 31.652 30.300 -0.066 0.000 1.223 348 R HN -0.081 nan 8.270 nan 0.000 0.466 349 K N 1.869 122.292 120.400 0.038 0.000 2.339 349 K HA 0.200 4.524 4.320 0.007 0.000 0.286 349 K C -0.430 176.238 176.600 0.114 0.000 1.050 349 K CA -0.231 56.124 56.287 0.114 0.000 0.956 349 K CB 0.936 33.477 32.500 0.068 0.000 0.990 349 K HN 0.551 nan 8.250 nan 0.000 0.475 350 E N 1.826 122.103 120.200 0.128 0.000 2.212 350 E HA 0.231 4.585 4.350 0.007 0.000 0.270 350 E C -0.448 176.252 176.600 0.167 0.000 0.956 350 E CA -0.989 55.475 56.400 0.106 0.000 0.825 350 E CB 1.940 31.654 29.700 0.023 0.000 1.167 350 E HN 0.215 nan 8.360 nan 0.000 0.400 351 R N 1.660 122.206 120.500 0.078 0.000 2.239 351 R HA 0.192 4.536 4.340 0.007 0.000 0.332 351 R C -1.197 175.024 176.300 -0.133 0.000 0.988 351 R CA -0.532 55.505 56.100 -0.106 0.000 0.859 351 R CB 0.453 30.683 30.300 -0.116 0.000 1.148 351 R HN 0.248 nan 8.270 nan 0.000 0.482 352 V N 5.793 125.613 119.914 -0.157 0.000 2.387 352 V HA 0.474 4.598 4.120 0.007 0.000 0.260 352 V C 0.722 176.730 176.094 -0.144 0.000 1.054 352 V CA 0.644 62.871 62.300 -0.122 0.000 0.967 352 V CB 0.265 32.032 31.823 -0.093 0.000 1.036 352 V HN 0.955 nan 8.190 nan 0.000 0.481 353 A N 7.971 130.721 122.820 -0.118 0.000 1.833 353 A HA 0.301 4.625 4.320 0.007 0.000 0.215 353 A C 1.337 178.867 177.584 -0.090 0.000 1.275 353 A CA 0.664 52.638 52.037 -0.105 0.000 0.602 353 A CB -0.071 18.881 19.000 -0.081 0.000 0.929 353 A HN 0.784 nan 8.150 nan 0.000 0.462 354 R N -1.378 119.075 120.500 -0.080 0.000 2.778 354 R HA 0.707 5.051 4.340 0.007 0.000 0.277 354 R C -1.538 174.714 176.300 -0.081 0.000 0.977 354 R CA -0.519 55.539 56.100 -0.069 0.000 0.950 354 R CB 1.607 31.876 30.300 -0.053 0.000 1.165 354 R HN 0.384 nan 8.270 nan 0.000 0.474 355 L N 3.488 124.669 121.223 -0.070 0.000 2.346 355 L HA 0.603 4.947 4.340 0.007 0.000 0.276 355 L C -0.919 175.915 176.870 -0.060 0.000 1.006 355 L CA -0.704 54.089 54.840 -0.077 0.000 0.817 355 L CB 1.442 43.463 42.059 -0.063 0.000 1.272 355 L HN 0.350 nan 8.230 nan 0.000 0.421 356 L N 2.706 123.881 121.223 -0.080 0.000 2.371 356 L HA 0.640 4.985 4.340 0.007 0.000 0.262 356 L C -0.688 176.167 176.870 -0.026 0.000 1.006 356 L CA -0.864 53.950 54.840 -0.044 0.000 0.818 356 L CB 2.457 44.480 42.059 -0.060 0.000 1.354 356 L HN 0.523 nan 8.230 nan 0.000 0.415 357 R N 1.848 122.369 120.500 0.035 0.000 2.445 357 R HA 0.607 4.951 4.340 0.007 0.000 0.308 357 R C -1.023 175.326 176.300 0.083 0.000 0.961 357 R CA -0.853 55.276 56.100 0.048 0.000 0.862 357 R CB 1.887 32.230 30.300 0.071 0.000 1.144 357 R HN 0.405 nan 8.270 nan 0.000 0.447 358 M N 3.898 123.531 119.600 0.055 0.000 2.084 358 M HA 0.253 4.738 4.480 0.007 0.000 0.351 358 M C 0.228 176.511 176.300 -0.028 0.000 1.240 358 M CA 0.027 55.361 55.300 0.057 0.000 1.083 358 M CB 0.536 33.207 32.600 0.119 0.000 1.593 358 M HN 0.526 nan 8.290 nan 0.000 0.463 359 H N 0.898 119.860 119.070 -0.180 0.000 2.645 359 H HA 0.421 4.981 4.556 0.007 0.000 0.308 359 H C 0.899 176.201 175.328 -0.043 0.000 1.495 359 H CA -0.309 55.647 56.048 -0.153 0.000 1.518 359 H CB 1.062 30.613 29.762 -0.351 0.000 1.752 359 H HN 0.746 nan 8.280 nan 0.000 0.797 360 A N 0.528 123.450 122.820 0.170 0.000 1.877 360 A HA -0.161 4.164 4.320 0.007 0.000 0.216 360 A C 1.161 178.840 177.584 0.158 0.000 1.186 360 A CA 1.551 53.669 52.037 0.135 0.000 0.620 360 A CB -0.143 18.945 19.000 0.145 0.000 0.822 360 A HN 0.644 nan 8.150 nan 0.000 0.443 361 N N -0.306 118.551 118.700 0.262 0.000 2.365 361 N HA 0.147 4.891 4.740 0.007 0.000 0.257 361 N C -0.716 175.000 175.510 0.342 0.000 1.287 361 N CA 0.125 53.322 53.050 0.245 0.000 0.882 361 N CB 0.628 39.230 38.487 0.191 0.000 1.250 361 N HN 0.838 nan 8.380 nan 0.000 0.507 362 H N -1.854 117.282 119.070 0.109 0.000 2.919 362 H HA 0.285 4.845 4.556 0.007 0.000 0.270 362 H C -1.234 174.160 175.328 0.110 0.000 1.412 362 H CA -0.630 55.470 56.048 0.086 0.000 1.261 362 H CB 0.564 30.345 29.762 0.032 0.000 1.850 362 H HN -0.152 nan 8.280 nan 0.000 0.478 363 R N 0.572 121.082 120.500 0.016 0.000 2.536 363 R HA 0.453 4.797 4.340 0.007 0.000 0.279 363 R C -0.250 176.039 176.300 -0.019 0.000 1.001 363 R CA -0.788 55.303 56.100 -0.014 0.000 1.027 363 R CB 1.645 31.974 30.300 0.048 0.000 1.096 363 R HN 0.687 nan 8.270 nan 0.000 0.502 364 E N 2.106 122.308 120.200 0.004 0.000 2.244 364 E HA 0.068 4.422 4.350 0.007 0.000 0.260 364 E C -1.326 175.301 176.600 0.045 0.000 0.884 364 E CA -0.406 56.011 56.400 0.028 0.000 0.777 364 E CB 1.691 31.405 29.700 0.024 0.000 1.197 364 E HN 0.538 nan 8.360 nan 0.000 0.416 365 E N 3.441 123.660 120.200 0.033 0.000 2.344 365 E HA 0.237 4.592 4.350 0.007 0.000 0.270 365 E C -0.510 176.104 176.600 0.023 0.000 1.021 365 E CA -0.493 55.916 56.400 0.016 0.000 0.887 365 E CB 0.995 30.701 29.700 0.009 0.000 0.997 365 E HN 0.367 nan 8.360 nan 0.000 0.429 366 V N 1.497 121.418 119.914 0.011 0.000 2.864 366 V HA 0.364 4.488 4.120 0.007 0.000 0.314 366 V C 0.580 176.669 176.094 -0.008 0.000 1.073 366 V CA -0.778 61.531 62.300 0.014 0.000 0.956 366 V CB 1.924 33.761 31.823 0.024 0.000 1.023 366 V HN 0.706 nan 8.190 nan 0.000 0.435 367 E N 1.476 121.670 120.200 -0.009 0.000 2.435 367 E HA 0.109 4.463 4.350 0.007 0.000 0.195 367 E C 0.208 176.787 176.600 -0.035 0.000 1.029 367 E CA 0.958 57.345 56.400 -0.021 0.000 0.865 367 E CB 0.320 30.011 29.700 -0.016 0.000 0.833 367 E HN 1.004 nan 8.360 nan 0.000 0.510 368 E N -0.965 119.211 120.200 -0.041 0.000 2.389 368 E HA 0.360 4.714 4.350 0.007 0.000 0.281 368 E C -1.446 175.108 176.600 -0.077 0.000 1.111 368 E CA -0.725 55.638 56.400 -0.061 0.000 0.869 368 E CB 0.638 30.295 29.700 -0.072 0.000 1.259 368 E HN -0.207 nan 8.360 nan 0.000 0.434 369 L N 1.568 122.737 121.223 -0.091 0.000 2.406 369 L HA 0.518 4.862 4.340 0.007 0.000 0.272 369 L C -0.456 176.326 176.870 -0.147 0.000 0.980 369 L CA -0.638 54.139 54.840 -0.105 0.000 0.831 369 L CB 1.459 43.480 42.059 -0.064 0.000 1.253 369 L HN 0.616 nan 8.230 nan 0.000 0.406 370 K N 1.405 121.652 120.400 -0.255 0.000 2.267 370 K HA 0.817 5.141 4.320 0.007 0.000 0.236 370 K C -0.125 176.403 176.600 -0.119 0.000 1.030 370 K CA -0.993 55.125 56.287 -0.282 0.000 0.930 370 K CB 0.933 33.037 32.500 -0.660 0.000 1.182 370 K HN 0.633 nan 8.250 nan 0.000 0.474 371 A N 0.311 123.117 122.820 -0.022 0.000 2.603 371 A HA 0.264 4.588 4.320 0.007 0.000 0.235 371 A C 1.206 178.859 177.584 0.115 0.000 1.035 371 A CA 1.253 53.330 52.037 0.066 0.000 0.755 371 A CB -1.260 17.813 19.000 0.121 0.000 0.954 371 A HN 0.930 nan 8.150 nan 0.000 0.511 372 G N 1.332 110.147 108.800 0.026 0.000 2.179 372 G HA2 -0.218 3.746 3.960 0.007 0.000 0.260 372 G HA3 -0.218 3.746 3.960 0.007 0.000 0.260 372 G C 0.125 175.021 174.900 -0.006 0.000 0.977 372 G CA 0.575 45.683 45.100 0.012 0.000 0.641 372 G HN 0.967 nan 8.290 nan 0.000 0.533 373 D N -0.462 119.935 120.400 -0.005 0.000 2.384 373 D HA 0.769 5.413 4.640 0.007 0.000 0.250 373 D C -0.113 176.158 176.300 -0.049 0.000 1.029 373 D CA -0.196 53.799 54.000 -0.009 0.000 0.990 373 D CB 1.591 42.404 40.800 0.021 0.000 1.175 373 D HN 0.095 nan 8.370 nan 0.000 0.532 374 L N -0.020 121.193 121.223 -0.017 0.000 2.393 374 L HA 0.775 5.119 4.340 0.007 0.000 0.260 374 L C 0.498 177.402 176.870 0.057 0.000 1.002 374 L CA -0.389 54.473 54.840 0.036 0.000 0.818 374 L CB 2.334 44.433 42.059 0.067 0.000 1.369 374 L HN 0.562 nan 8.230 nan 0.000 0.412 375 G N 0.137 108.996 108.800 0.098 0.000 2.489 375 G HA2 0.716 4.681 3.960 0.007 0.000 0.305 375 G HA3 0.716 4.681 3.960 0.007 0.000 0.305 375 G C -2.229 172.655 174.900 -0.026 0.000 1.311 375 G CA -0.029 45.104 45.100 0.055 0.000 0.813 375 G HN 0.728 nan 8.290 nan 0.000 0.480 376 A N -0.668 122.009 122.820 -0.239 0.000 2.318 376 A HA 0.773 5.097 4.320 0.007 0.000 0.317 376 A C -0.449 176.919 177.584 -0.360 0.000 1.159 376 A CA -0.493 51.177 52.037 -0.612 0.000 0.799 376 A CB 1.568 19.886 19.000 -1.136 0.000 1.194 376 A HN 2.024 nan 8.150 nan 0.000 0.479 377 V N 4.075 123.803 119.914 -0.310 0.000 2.472 377 V HA 0.650 4.774 4.120 0.007 0.000 0.290 377 V C -0.343 175.630 176.094 -0.202 0.000 1.037 377 V CA -0.299 61.882 62.300 -0.199 0.000 0.908 377 V CB 1.480 33.220 31.823 -0.137 0.000 0.985 377 V HN 0.699 nan 8.190 nan 0.000 0.454 378 V N 7.215 127.038 119.914 -0.152 0.000 2.539 378 V HA 0.934 5.058 4.120 0.007 0.000 0.292 378 V C 0.982 177.018 176.094 -0.097 0.000 1.045 378 V CA 0.882 63.106 62.300 -0.125 0.000 0.945 378 V CB 0.451 32.216 31.823 -0.097 0.000 0.993 378 V HN 1.686 nan 8.190 nan 0.000 0.464 379 G N 3.098 111.850 108.800 -0.080 0.000 2.451 379 G HA2 0.143 4.107 3.960 0.007 0.000 0.208 379 G HA3 0.143 4.107 3.960 0.007 0.000 0.208 379 G C -0.600 174.265 174.900 -0.058 0.000 1.248 379 G CA -0.588 44.475 45.100 -0.062 0.000 0.989 379 G HN 1.548 nan 8.290 nan 0.000 0.559 380 L N -1.006 120.191 121.223 -0.044 0.000 3.295 380 L HA -0.098 4.246 4.340 0.007 0.000 0.686 380 L C 1.582 178.435 176.870 -0.029 0.000 1.088 380 L CA 1.280 56.099 54.840 -0.035 0.000 1.255 380 L CB -0.764 41.266 42.059 -0.049 0.000 1.713 380 L HN 0.779 nan 8.230 nan 0.000 0.868 381 K N 0.731 121.121 120.400 -0.017 0.000 2.323 381 K HA 0.189 4.513 4.320 0.007 0.000 0.197 381 K C 1.094 177.687 176.600 -0.012 0.000 1.043 381 K CA 0.547 56.826 56.287 -0.013 0.000 0.997 381 K CB 0.461 32.957 32.500 -0.007 0.000 0.807 381 K HN 0.483 nan 8.250 nan 0.000 0.497 382 E N 0.821 121.012 120.200 -0.015 0.000 2.476 382 E HA 0.078 4.432 4.350 0.007 0.000 0.196 382 E C -0.337 176.248 176.600 -0.025 0.000 1.029 382 E CA 0.143 56.531 56.400 -0.020 0.000 0.896 382 E CB 0.725 30.411 29.700 -0.023 0.000 1.012 382 E HN -0.008 nan 8.360 nan 0.000 0.475 383 T N 2.464 117.004 114.554 -0.024 0.000 2.767 383 T HA 0.524 4.878 4.350 0.007 0.000 0.284 383 T C 0.595 175.288 174.700 -0.012 0.000 0.973 383 T CA -0.467 61.619 62.100 -0.023 0.000 0.996 383 T CB 0.843 69.695 68.868 -0.027 0.000 0.927 383 T HN 0.082 nan 8.240 nan 0.000 0.456 384 I N -0.188 120.381 120.570 -0.003 0.000 2.693 384 I HA 0.602 4.776 4.170 0.007 0.000 0.303 384 I C 0.559 176.689 176.117 0.021 0.000 1.025 384 I CA -1.136 60.171 61.300 0.011 0.000 1.086 384 I CB 1.677 39.688 38.000 0.018 0.000 1.268 384 I HN 0.462 nan 8.210 nan 0.000 0.440 385 T N 3.345 117.917 114.554 0.030 0.000 2.765 385 T HA 0.289 4.643 4.350 0.007 0.000 0.275 385 T C 1.111 175.846 174.700 0.059 0.000 1.007 385 T CA 1.405 63.532 62.100 0.044 0.000 1.175 385 T CB -0.445 68.454 68.868 0.052 0.000 0.993 385 T HN 1.521 nan 8.240 nan 0.000 0.510 386 G N 4.280 113.126 108.800 0.076 0.000 2.278 386 G HA2 -0.165 3.799 3.960 0.007 0.000 0.210 386 G HA3 -0.165 3.799 3.960 0.007 0.000 0.210 386 G C -0.087 174.848 174.900 0.058 0.000 1.000 386 G CA 0.035 45.178 45.100 0.072 0.000 0.635 386 G HN 0.766 nan 8.290 nan 0.000 0.495 387 D N 1.059 121.486 120.400 0.046 0.000 2.360 387 D HA 0.527 5.171 4.640 0.007 0.000 0.242 387 D C 0.324 176.655 176.300 0.050 0.000 1.184 387 D CA 0.743 54.762 54.000 0.032 0.000 0.930 387 D CB 0.860 41.665 40.800 0.009 0.000 1.161 387 D HN 0.090 nan 8.370 nan 0.000 0.447 388 T N 1.245 115.824 114.554 0.041 0.000 2.823 388 T HA 0.432 4.786 4.350 0.007 0.000 0.279 388 T C -0.500 174.231 174.700 0.053 0.000 0.998 388 T CA -0.708 61.430 62.100 0.064 0.000 0.994 388 T CB 0.857 69.762 68.868 0.061 0.000 0.960 388 T HN 0.001 nan 8.240 nan 0.000 0.448 389 L N 4.115 125.382 121.223 0.073 0.000 2.346 389 L HA 0.787 5.131 4.340 0.007 0.000 0.276 389 L C 0.166 177.098 176.870 0.103 0.000 1.006 389 L CA -0.825 54.056 54.840 0.070 0.000 0.817 389 L CB 1.278 43.369 42.059 0.053 0.000 1.272 389 L HN 0.569 nan 8.230 nan 0.000 0.421 390 V N -0.835 119.161 119.914 0.136 0.000 3.158 390 V HA 0.794 4.918 4.120 0.007 0.000 0.311 390 V C 0.949 177.123 176.094 0.133 0.000 1.181 390 V CA -0.248 62.134 62.300 0.136 0.000 1.054 390 V CB 1.403 33.313 31.823 0.145 0.000 1.085 390 V HN 0.734 nan 8.190 nan 0.000 0.446 391 G N -0.528 108.330 108.800 0.097 0.000 2.601 391 G HA2 -0.137 3.827 3.960 0.007 0.000 0.214 391 G HA3 -0.137 3.827 3.960 0.007 0.000 0.214 391 G C 0.827 175.774 174.900 0.077 0.000 1.132 391 G CA 1.337 46.483 45.100 0.076 0.000 0.761 391 G HN 1.735 nan 8.290 nan 0.000 0.550 392 E N -1.863 118.396 120.200 0.099 0.000 4.584 392 E HA -0.267 4.087 4.350 0.007 0.000 0.282 392 E C 0.096 176.673 176.600 -0.040 0.000 0.747 392 E CA 1.592 58.027 56.400 0.059 0.000 1.563 392 E CB -1.233 28.530 29.700 0.105 0.000 1.779 392 E HN 0.405 nan 8.360 nan 0.000 0.408 393 D N -0.242 120.151 120.400 -0.012 0.000 2.740 393 D HA 0.489 5.133 4.640 0.007 0.000 0.301 393 D C -0.618 175.674 176.300 -0.014 0.000 1.408 393 D CA 0.723 54.706 54.000 -0.027 0.000 0.808 393 D CB 0.951 41.746 40.800 -0.009 0.000 1.128 393 D HN 0.347 nan 8.370 nan 0.000 0.465 394 A N 0.456 123.271 122.820 -0.008 0.000 2.430 394 A HA 0.773 5.097 4.320 0.007 0.000 0.300 394 A C -2.632 174.956 177.584 0.007 0.000 1.124 394 A CA -1.519 50.525 52.037 0.012 0.000 0.766 394 A CB 0.998 20.021 19.000 0.039 0.000 1.328 394 A HN -0.159 nan 8.150 nan 0.000 0.424 395 P HA 0.223 nan 4.420 nan 0.000 0.265 395 P C -0.594 176.732 177.300 0.042 0.000 1.187 395 P CA 0.210 63.322 63.100 0.022 0.000 0.766 395 P CB 0.304 32.022 31.700 0.029 0.000 0.820 396 R N 2.084 122.609 120.500 0.043 0.000 4.138 396 R HA 0.170 4.514 4.340 0.007 0.000 0.206 396 R C -0.126 176.221 176.300 0.079 0.000 1.667 396 R CA -0.344 55.811 56.100 0.091 0.000 1.481 396 R CB -1.076 29.286 30.300 0.104 0.000 1.388 396 R HN 0.303 nan 8.270 nan 0.000 0.776 397 V N -0.602 119.352 119.914 0.066 0.000 2.953 397 V HA 0.546 4.670 4.120 0.007 0.000 0.304 397 V C 0.528 176.649 176.094 0.045 0.000 1.073 397 V CA -0.932 61.394 62.300 0.044 0.000 1.064 397 V CB 1.113 32.952 31.823 0.027 0.000 1.047 397 V HN 0.467 nan 8.190 nan 0.000 0.478 398 I N 1.351 121.935 120.570 0.023 0.000 2.447 398 I HA 0.431 4.606 4.170 0.007 0.000 0.287 398 I C 0.319 176.431 176.117 -0.009 0.000 1.023 398 I CA -0.803 60.508 61.300 0.018 0.000 1.083 398 I CB 1.912 39.924 38.000 0.020 0.000 1.245 398 I HN 0.386 nan 8.210 nan 0.000 0.434 399 L N 3.639 124.853 121.223 -0.015 0.000 2.313 399 L HA 0.281 4.625 4.340 0.007 0.000 0.214 399 L C 0.972 177.816 176.870 -0.043 0.000 1.119 399 L CA 1.298 56.103 54.840 -0.058 0.000 0.809 399 L CB -1.257 40.760 42.059 -0.069 0.000 0.933 399 L HN 0.770 nan 8.230 nan 0.000 0.449 400 E N -0.995 119.196 120.200 -0.015 0.000 2.378 400 E HA 0.307 4.661 4.350 0.007 0.000 0.265 400 E C -0.180 176.413 176.600 -0.012 0.000 0.932 400 E CA -0.562 55.828 56.400 -0.016 0.000 0.795 400 E CB 1.969 31.667 29.700 -0.003 0.000 1.296 400 E HN 0.013 nan 8.360 nan 0.000 0.438 401 S N 0.304 115.993 115.700 -0.020 0.000 2.576 401 S HA 0.188 4.662 4.470 0.007 0.000 0.276 401 S C 1.000 175.600 174.600 0.000 0.000 1.339 401 S CA -0.426 57.766 58.200 -0.013 0.000 1.039 401 S CB 0.464 63.647 63.200 -0.027 0.000 0.902 401 S HN 0.499 nan 8.310 nan 0.000 0.516 402 I N 0.371 120.947 120.570 0.009 0.000 3.030 402 I HA -0.009 4.165 4.170 0.007 0.000 0.270 402 I C 1.628 177.759 176.117 0.023 0.000 1.211 402 I CA 0.216 61.525 61.300 0.016 0.000 1.479 402 I CB -0.279 37.732 38.000 0.019 0.000 1.105 402 I HN 0.810 nan 8.210 nan 0.000 0.447 403 E N 2.924 123.140 120.200 0.028 0.000 2.521 403 E HA -0.119 4.235 4.350 0.007 0.000 0.270 403 E C -0.868 175.761 176.600 0.048 0.000 1.082 403 E CA 0.606 57.033 56.400 0.046 0.000 0.997 403 E CB 0.950 30.683 29.700 0.055 0.000 0.990 403 E HN -0.045 nan 8.360 nan 0.000 0.458 404 V N 4.692 124.644 119.914 0.064 0.000 2.581 404 V HA 0.295 4.419 4.120 0.007 0.000 0.303 404 V C -1.995 174.145 176.094 0.077 0.000 1.041 404 V CA -1.602 60.733 62.300 0.058 0.000 0.907 404 V CB 1.656 33.506 31.823 0.045 0.000 0.994 404 V HN 0.714 nan 8.190 nan 0.000 0.442 405 P HA 0.118 nan 4.420 nan 0.000 0.267 405 P C -0.129 177.176 177.300 0.008 0.000 1.328 405 P CA -0.191 62.954 63.100 0.074 0.000 0.990 405 P CB 0.321 32.067 31.700 0.077 0.000 1.168 406 E N 4.641 124.784 120.200 -0.095 0.000 2.606 406 E HA -0.004 4.350 4.350 0.007 0.000 0.248 406 E C -1.951 174.509 176.600 -0.233 0.000 1.005 406 E CA -1.075 55.170 56.400 -0.258 0.000 0.946 406 E CB -0.122 29.138 29.700 -0.734 0.000 0.928 406 E HN 0.368 nan 8.360 nan 0.000 0.494 407 P HA -0.080 nan 4.420 nan 0.000 0.260 407 P C 0.633 177.906 177.300 -0.045 0.000 1.207 407 P CA 0.314 63.413 63.100 -0.001 0.000 0.780 407 P CB 0.316 32.049 31.700 0.055 0.000 0.789 408 V N 2.015 121.896 119.914 -0.056 0.000 3.528 408 V HA 0.340 4.464 4.120 0.007 0.000 0.294 408 V C 0.307 176.391 176.094 -0.017 0.000 1.404 408 V CA 0.403 62.652 62.300 -0.086 0.000 1.065 408 V CB -0.109 31.620 31.823 -0.156 0.000 0.904 408 V HN 0.222 nan 8.190 nan 0.000 0.435 409 I N 1.761 122.356 120.570 0.042 0.000 2.512 409 I HA 0.606 4.780 4.170 0.007 0.000 0.287 409 I C -1.525 174.645 176.117 0.088 0.000 1.069 409 I CA -0.171 61.175 61.300 0.076 0.000 1.056 409 I CB 1.906 39.956 38.000 0.085 0.000 1.229 409 I HN 0.146 nan 8.210 nan 0.000 0.429 410 D N 5.783 126.253 120.400 0.116 0.000 2.217 410 D HA 0.558 5.202 4.640 0.007 0.000 0.243 410 D C -0.453 175.896 176.300 0.082 0.000 1.054 410 D CA -0.258 53.810 54.000 0.113 0.000 0.838 410 D CB 3.122 44.025 40.800 0.172 0.000 1.162 410 D HN 0.049 nan 8.370 nan 0.000 0.472 411 V N 1.504 121.446 119.914 0.047 0.000 2.524 411 V HA 0.552 4.676 4.120 0.007 0.000 0.297 411 V C -0.152 175.949 176.094 0.011 0.000 1.035 411 V CA -0.892 61.419 62.300 0.019 0.000 0.867 411 V CB 1.719 33.535 31.823 -0.011 0.000 1.004 411 V HN 0.725 nan 8.190 nan 0.000 0.426 412 A N 6.837 129.661 122.820 0.006 0.000 2.354 412 A HA 0.852 5.176 4.320 0.007 0.000 0.269 412 A C -0.273 177.302 177.584 -0.015 0.000 1.109 412 A CA -0.233 51.801 52.037 -0.004 0.000 0.800 412 A CB 0.253 19.238 19.000 -0.025 0.000 1.045 412 A HN 1.002 nan 8.150 nan 0.000 0.489 413 I N -1.331 119.231 120.570 -0.013 0.000 2.608 413 I HA 0.708 4.882 4.170 0.007 0.000 0.295 413 I C -0.827 175.280 176.117 -0.016 0.000 1.049 413 I CA -0.653 60.637 61.300 -0.017 0.000 1.063 413 I CB 2.378 40.366 38.000 -0.019 0.000 1.248 413 I HN 0.609 nan 8.210 nan 0.000 0.424 414 E N 6.051 126.240 120.200 -0.017 0.000 2.460 414 E HA 0.343 4.697 4.350 0.007 0.000 0.249 414 E C -2.644 173.948 176.600 -0.013 0.000 0.962 414 E CA -1.870 54.521 56.400 -0.016 0.000 0.787 414 E CB 1.832 31.519 29.700 -0.021 0.000 1.341 414 E HN 0.475 nan 8.360 nan 0.000 0.407 415 P HA -0.074 nan 4.420 nan 0.000 0.267 415 P C 0.074 177.370 177.300 -0.007 0.000 1.201 415 P CA -0.095 63.001 63.100 -0.007 0.000 0.775 415 P CB 1.176 32.872 31.700 -0.008 0.000 0.854 416 K N 0.667 121.065 120.400 -0.004 0.000 2.393 416 K HA 0.066 4.390 4.320 0.007 0.000 0.193 416 K C 0.978 177.577 176.600 -0.003 0.000 1.026 416 K CA 0.935 57.219 56.287 -0.004 0.000 1.064 416 K CB -0.014 32.485 32.500 -0.002 0.000 0.833 416 K HN 0.647 nan 8.250 nan 0.000 0.521 417 T N -3.278 111.275 114.554 -0.002 0.000 3.684 417 T HA 0.303 4.657 4.350 0.007 0.000 0.317 417 T C 0.400 175.099 174.700 -0.002 0.000 0.922 417 T CA -0.493 61.606 62.100 -0.002 0.000 0.999 417 T CB 0.337 69.206 68.868 0.001 0.000 1.204 417 T HN 0.033 nan 8.240 nan 0.000 0.534 418 K N 0.121 120.519 120.400 -0.004 0.000 3.870 418 K HA -0.336 3.988 4.320 0.007 0.000 0.370 418 K C 1.854 178.451 176.600 -0.003 0.000 0.607 418 K CA 1.738 58.022 56.287 -0.004 0.000 1.617 418 K CB -1.953 30.544 32.500 -0.004 0.000 1.221 418 K HN 0.539 nan 8.250 nan 0.000 0.485 419 A N 1.004 123.823 122.820 -0.001 0.000 1.929 419 A HA -0.146 4.178 4.320 0.007 0.000 0.216 419 A C 1.574 179.160 177.584 0.003 0.000 1.176 419 A CA 2.181 54.219 52.037 0.002 0.000 0.628 419 A CB -0.231 18.772 19.000 0.005 0.000 0.816 419 A HN 0.405 nan 8.150 nan 0.000 0.444 420 D N -1.369 119.033 120.400 0.003 0.000 2.234 420 D HA -0.088 4.556 4.640 0.007 0.000 0.205 420 D C 2.106 178.403 176.300 -0.004 0.000 0.962 420 D CA 0.749 54.752 54.000 0.004 0.000 0.855 420 D CB -0.032 40.772 40.800 0.006 0.000 0.951 420 D HN 0.314 nan 8.370 nan 0.000 0.500 421 Q N 0.800 120.596 119.800 -0.007 0.000 2.083 421 Q HA -0.160 4.184 4.340 0.007 0.000 0.198 421 Q C 1.923 177.912 176.000 -0.018 0.000 0.969 421 Q CA 1.258 57.054 55.803 -0.012 0.000 0.838 421 Q CB -0.073 28.659 28.738 -0.010 0.000 0.900 421 Q HN 0.440 nan 8.270 nan 0.000 0.436 422 E N 0.671 120.862 120.200 -0.014 0.000 2.038 422 E HA -0.205 4.149 4.350 0.007 0.000 0.195 422 E C 1.561 178.144 176.600 -0.028 0.000 1.000 422 E CA 1.756 58.146 56.400 -0.017 0.000 0.803 422 E CB -0.060 29.634 29.700 -0.009 0.000 0.750 422 E HN 0.384 nan 8.360 nan 0.000 0.448 423 K N 0.186 120.572 120.400 -0.023 0.000 2.487 423 K HA -0.031 4.293 4.320 0.007 0.000 0.192 423 K C 1.921 178.474 176.600 -0.079 0.000 1.027 423 K CA 0.275 56.539 56.287 -0.037 0.000 1.054 423 K CB 0.168 32.669 32.500 0.001 0.000 0.824 423 K HN 0.119 nan 8.250 nan 0.000 0.510 424 L N 1.937 123.122 121.223 -0.064 0.000 2.062 424 L HA -0.051 4.293 4.340 0.007 0.000 0.202 424 L C 2.268 179.074 176.870 -0.107 0.000 1.079 424 L CA 2.023 56.815 54.840 -0.079 0.000 0.755 424 L CB -0.694 41.342 42.059 -0.040 0.000 0.913 424 L HN 0.321 nan 8.230 nan 0.000 0.445 425 S N -1.194 114.464 115.700 -0.070 0.000 2.440 425 S HA -0.198 4.276 4.470 0.007 0.000 0.238 425 S C 1.785 176.331 174.600 -0.090 0.000 1.010 425 S CA 0.941 59.105 58.200 -0.060 0.000 0.972 425 S CB -0.595 62.583 63.200 -0.037 0.000 0.774 425 S HN 0.585 nan 8.310 nan 0.000 0.501 426 Q N 1.715 121.444 119.800 -0.118 0.000 1.994 426 Q HA 0.155 4.499 4.340 0.007 0.000 0.198 426 Q C 2.745 178.584 176.000 -0.267 0.000 0.976 426 Q CA 1.592 57.310 55.803 -0.141 0.000 0.828 426 Q CB -1.201 27.469 28.738 -0.113 0.000 0.894 426 Q HN 0.679 nan 8.270 nan 0.000 0.432 427 A N 1.132 123.671 122.820 -0.468 0.000 1.986 427 A HA -0.182 4.142 4.320 0.007 0.000 0.220 427 A C 2.270 179.479 177.584 -0.624 0.000 1.171 427 A CA 1.288 52.670 52.037 -1.092 0.000 0.640 427 A CB -0.767 17.392 19.000 -1.401 0.000 0.811 427 A HN 0.290 nan 8.150 nan 0.000 0.451 428 L N -1.178 119.883 121.223 -0.270 0.000 2.023 428 L HA -0.142 4.202 4.340 0.007 0.000 0.205 428 L C 3.157 180.030 176.870 0.006 0.000 1.073 428 L CA 1.011 55.828 54.840 -0.038 0.000 0.745 428 L CB -0.699 41.373 42.059 0.021 0.000 0.900 428 L HN 0.414 nan 8.230 nan 0.000 0.435 429 A N 0.155 122.947 122.820 -0.046 0.000 1.884 429 A HA -0.294 4.030 4.320 0.007 0.000 0.219 429 A C 2.308 179.885 177.584 -0.013 0.000 1.197 429 A CA 2.143 54.162 52.037 -0.031 0.000 0.637 429 A CB -0.537 18.438 19.000 -0.043 0.000 0.827 429 A HN 0.250 nan 8.150 nan 0.000 0.450 430 R N -1.124 119.353 120.500 -0.039 0.000 2.088 430 R HA -0.062 4.282 4.340 0.007 0.000 0.232 430 R C 2.061 178.422 176.300 0.102 0.000 1.136 430 R CA 1.487 57.600 56.100 0.022 0.000 0.926 430 R CB -1.145 29.167 30.300 0.019 0.000 0.837 430 R HN 0.460 nan 8.270 nan 0.000 0.429 431 L N 0.400 121.704 121.223 0.136 0.000 2.187 431 L HA -0.082 4.262 4.340 0.007 0.000 0.213 431 L C 1.930 178.980 176.870 0.301 0.000 1.100 431 L CA 1.833 56.834 54.840 0.267 0.000 0.765 431 L CB -0.651 41.598 42.059 0.316 0.000 0.904 431 L HN 0.284 nan 8.230 nan 0.000 0.437 432 A N -1.014 121.940 122.820 0.223 0.000 1.972 432 A HA -0.204 4.120 4.320 0.007 0.000 0.219 432 A C 2.147 179.730 177.584 -0.001 0.000 1.169 432 A CA 1.720 53.788 52.037 0.051 0.000 0.635 432 A CB -0.408 18.536 19.000 -0.094 0.000 0.810 432 A HN 0.597 nan 8.150 nan 0.000 0.446 433 E N -0.118 120.106 120.200 0.040 0.000 2.076 433 E HA -0.135 4.219 4.350 0.007 0.000 0.190 433 E C 1.827 178.460 176.600 0.054 0.000 0.979 433 E CA 0.969 57.384 56.400 0.026 0.000 0.807 433 E CB -0.155 29.560 29.700 0.025 0.000 0.761 433 E HN 0.587 nan 8.360 nan 0.000 0.454 434 E N 0.922 121.180 120.200 0.096 0.000 2.153 434 E HA -0.124 4.230 4.350 0.007 0.000 0.194 434 E C 0.459 177.131 176.600 0.120 0.000 0.988 434 E CA 0.911 57.373 56.400 0.103 0.000 0.811 434 E CB -0.046 29.730 29.700 0.128 0.000 0.746 434 E HN 0.135 nan 8.360 nan 0.000 0.466 435 D N -0.463 120.038 120.400 0.168 0.000 2.602 435 D HA 0.109 4.754 4.640 0.007 0.000 0.245 435 D C -2.408 173.987 176.300 0.159 0.000 1.325 435 D CA -1.810 52.314 54.000 0.206 0.000 0.952 435 D CB 2.205 43.199 40.800 0.323 0.000 1.317 435 D HN -0.198 nan 8.370 nan 0.000 0.577 436 P HA 0.095 nan 4.420 nan 0.000 0.268 436 P C 0.802 178.082 177.300 -0.034 0.000 1.329 436 P CA 0.042 63.091 63.100 -0.085 0.000 0.899 436 P CB -0.020 31.645 31.700 -0.059 0.000 1.378 437 T N -1.942 112.693 114.554 0.135 0.000 3.361 437 T HA 0.179 4.533 4.350 0.007 0.000 0.251 437 T C 0.237 175.161 174.700 0.374 0.000 1.131 437 T CA -0.360 61.855 62.100 0.192 0.000 1.001 437 T CB -1.453 67.501 68.868 0.143 0.000 1.003 437 T HN 0.142 nan 8.240 nan 0.000 0.558 438 F N -0.810 119.244 119.950 0.172 0.000 2.601 438 F HA 0.836 5.367 4.527 0.007 0.000 0.309 438 F C -1.109 174.718 175.800 0.046 0.000 1.089 438 F CA -1.639 56.428 58.000 0.111 0.000 0.940 438 F CB 1.485 40.499 39.000 0.022 0.000 1.273 438 F HN -0.309 nan 8.300 nan 0.000 0.450 439 R N 2.359 122.925 120.500 0.109 0.000 2.740 439 R HA 0.789 5.133 4.340 0.007 0.000 0.282 439 R C -1.532 174.844 176.300 0.127 0.000 0.969 439 R CA -1.198 54.894 56.100 -0.013 0.000 0.918 439 R CB 2.044 32.340 30.300 -0.006 0.000 1.175 439 R HN 0.657 nan 8.270 nan 0.000 0.464 440 V N 0.977 120.929 119.914 0.063 0.000 2.715 440 V HA 0.698 4.822 4.120 0.007 0.000 0.310 440 V C -0.055 176.060 176.094 0.035 0.000 1.054 440 V CA -0.555 61.799 62.300 0.091 0.000 0.928 440 V CB 1.960 33.848 31.823 0.109 0.000 1.007 440 V HN 1.038 nan 8.190 nan 0.000 0.437 441 S N 1.433 117.153 115.700 0.034 0.000 2.596 441 S HA 0.567 5.041 4.470 0.007 0.000 0.270 441 S C -0.817 173.792 174.600 0.014 0.000 1.155 441 S CA -0.761 57.444 58.200 0.008 0.000 0.827 441 S CB 2.061 65.256 63.200 -0.007 0.000 1.130 441 S HN 0.548 nan 8.310 nan 0.000 0.467 442 T N 2.764 117.318 114.554 -0.001 0.000 2.832 442 T HA 0.295 4.649 4.350 0.007 0.000 0.313 442 T C -0.090 174.619 174.700 0.016 0.000 1.035 442 T CA -0.230 61.879 62.100 0.014 0.000 0.950 442 T CB -0.281 68.587 68.868 0.001 0.000 0.984 442 T HN 0.676 nan 8.240 nan 0.000 0.486 443 H N 5.246 124.288 119.070 -0.046 0.000 3.195 443 H HA -0.046 4.514 4.556 0.007 0.000 0.302 443 H C -1.785 173.502 175.328 -0.068 0.000 0.950 443 H CA -0.875 55.132 56.048 -0.068 0.000 1.398 443 H CB 0.719 30.437 29.762 -0.074 0.000 1.377 443 H HN 0.318 nan 8.280 nan 0.000 0.572 444 P HA -0.289 nan 4.420 nan 0.000 0.208 444 P C 1.349 178.674 177.300 0.042 0.000 0.999 444 P CA 2.787 65.801 63.100 -0.143 0.000 0.988 444 P CB 0.079 31.617 31.700 -0.268 0.000 0.745 445 E N -1.036 119.249 120.200 0.142 0.000 2.015 445 E HA -0.175 4.179 4.350 0.007 0.000 0.191 445 E C 1.980 178.636 176.600 0.095 0.000 0.991 445 E CA 2.032 58.497 56.400 0.108 0.000 0.802 445 E CB -1.790 27.963 29.700 0.089 0.000 0.759 445 E HN 0.270 nan 8.360 nan 0.000 0.447 446 T N -2.142 112.472 114.554 0.101 0.000 2.778 446 T HA -0.064 4.290 4.350 0.007 0.000 0.269 446 T C 1.840 176.544 174.700 0.006 0.000 1.050 446 T CA 1.727 63.801 62.100 -0.042 0.000 1.137 446 T CB -0.855 67.855 68.868 -0.264 0.000 0.860 446 T HN 0.683 nan 8.240 nan 0.000 0.468 447 G N 0.767 109.611 108.800 0.072 0.000 2.184 447 G HA2 -0.303 3.661 3.960 0.007 0.000 0.264 447 G HA3 -0.303 3.661 3.960 0.007 0.000 0.264 447 G C 0.024 174.943 174.900 0.031 0.000 0.975 447 G CA 0.449 45.574 45.100 0.040 0.000 0.642 447 G HN 0.768 nan 8.290 nan 0.000 0.536 448 Q N 0.426 120.241 119.800 0.026 0.000 2.524 448 Q HA 0.402 4.746 4.340 0.007 0.000 0.246 448 Q C 0.292 176.314 176.000 0.036 0.000 1.063 448 Q CA 0.899 56.707 55.803 0.008 0.000 0.945 448 Q CB 0.307 29.024 28.738 -0.035 0.000 1.292 448 Q HN 0.288 nan 8.270 nan 0.000 0.518 449 T N 2.309 116.874 114.554 0.018 0.000 2.771 449 T HA 0.391 4.745 4.350 0.007 0.000 0.291 449 T C -0.319 174.400 174.700 0.033 0.000 0.954 449 T CA -0.463 61.651 62.100 0.024 0.000 1.045 449 T CB 0.375 69.249 68.868 0.011 0.000 0.917 449 T HN 0.248 nan 8.240 nan 0.000 0.484 450 I N 4.601 125.199 120.570 0.047 0.000 2.411 450 I HA 0.407 4.582 4.170 0.007 0.000 0.284 450 I C 0.007 176.162 176.117 0.064 0.000 1.012 450 I CA -0.987 60.346 61.300 0.055 0.000 1.119 450 I CB 0.924 38.968 38.000 0.074 0.000 1.261 450 I HN 0.583 nan 8.210 nan 0.000 0.448 451 I N 4.762 125.363 120.570 0.052 0.000 2.396 451 I HA 0.354 4.528 4.170 0.007 0.000 0.292 451 I C 0.304 176.461 176.117 0.066 0.000 0.999 451 I CA -0.030 61.313 61.300 0.073 0.000 1.310 451 I CB 1.307 39.291 38.000 -0.026 0.000 1.404 451 I HN 0.504 nan 8.210 nan 0.000 0.496 452 S N 3.294 119.069 115.700 0.125 0.000 2.521 452 S HA 0.790 5.264 4.470 0.007 0.000 0.295 452 S C 0.086 174.765 174.600 0.132 0.000 1.098 452 S CA -0.670 57.594 58.200 0.106 0.000 0.999 452 S CB 2.101 65.368 63.200 0.112 0.000 1.034 452 S HN 0.869 nan 8.310 nan 0.000 0.483 453 G N 0.602 109.460 108.800 0.097 0.000 3.243 453 G HA2 0.534 4.498 3.960 0.007 0.000 0.248 453 G HA3 0.534 4.498 3.960 0.007 0.000 0.248 453 G C 0.074 175.133 174.900 0.266 0.000 1.267 453 G CA -0.755 44.473 45.100 0.214 0.000 0.906 453 G HN 0.601 nan 8.290 nan 0.000 0.592 454 M N 0.054 119.890 119.600 0.392 0.000 2.465 454 M HA 0.344 4.828 4.480 0.007 0.000 0.249 454 M C 0.857 177.226 176.300 0.114 0.000 1.130 454 M CA 0.794 56.199 55.300 0.175 0.000 1.067 454 M CB 0.782 33.440 32.600 0.097 0.000 1.394 454 M HN 0.650 nan 8.290 nan 0.000 0.483 455 G N -0.285 108.595 108.800 0.133 0.000 2.368 455 G HA2 0.175 4.139 3.960 0.007 0.000 0.293 455 G HA3 0.175 4.139 3.960 0.007 0.000 0.293 455 G C -0.485 174.463 174.900 0.081 0.000 1.467 455 G CA -0.734 44.411 45.100 0.076 0.000 0.804 455 G HN 0.165 nan 8.290 nan 0.000 0.535 456 E N -0.703 119.543 120.200 0.077 0.000 2.114 456 E HA -0.214 4.140 4.350 0.007 0.000 0.199 456 E C 2.457 179.064 176.600 0.011 0.000 1.008 456 E CA 1.515 57.956 56.400 0.069 0.000 0.810 456 E CB -0.021 29.749 29.700 0.117 0.000 0.739 456 E HN 0.303 nan 8.360 nan 0.000 0.456 457 L N 0.747 121.961 121.223 -0.015 0.000 1.994 457 L HA -0.212 4.132 4.340 0.007 0.000 0.208 457 L C 2.388 179.217 176.870 -0.067 0.000 1.071 457 L CA 2.060 56.843 54.840 -0.095 0.000 0.745 457 L CB -0.732 41.227 42.059 -0.167 0.000 0.892 457 L HN 0.182 nan 8.230 nan 0.000 0.431 458 H N -0.504 118.491 119.070 -0.124 0.000 2.265 458 H HA -0.207 4.353 4.556 0.007 0.000 0.293 458 H C 2.083 177.345 175.328 -0.110 0.000 1.089 458 H CA 2.405 58.393 56.048 -0.100 0.000 1.244 458 H CB -0.449 29.294 29.762 -0.032 0.000 1.355 458 H HN 0.197 nan 8.280 nan 0.000 0.485 459 L N 0.924 122.071 121.223 -0.128 0.000 2.127 459 L HA -0.144 4.200 4.340 0.007 0.000 0.211 459 L C 2.449 179.229 176.870 -0.150 0.000 1.089 459 L CA 1.692 56.405 54.840 -0.211 0.000 0.757 459 L CB -1.297 40.692 42.059 -0.117 0.000 0.899 459 L HN 0.475 nan 8.230 nan 0.000 0.434 460 E N -0.063 120.077 120.200 -0.100 0.000 2.031 460 E HA -0.240 4.114 4.350 0.007 0.000 0.193 460 E C 2.246 178.794 176.600 -0.088 0.000 0.994 460 E CA 1.425 57.773 56.400 -0.088 0.000 0.800 460 E CB -0.168 29.479 29.700 -0.089 0.000 0.752 460 E HN 0.539 nan 8.360 nan 0.000 0.447 461 I N 0.333 120.844 120.570 -0.098 0.000 2.315 461 I HA -0.237 3.937 4.170 0.007 0.000 0.248 461 I C 2.056 178.142 176.117 -0.051 0.000 1.117 461 I CA 1.219 62.488 61.300 -0.051 0.000 1.404 461 I CB -0.049 37.935 38.000 -0.026 0.000 1.071 461 I HN 0.067 nan 8.210 nan 0.000 0.419 462 I N 0.634 121.129 120.570 -0.125 0.000 2.113 462 I HA -0.250 3.925 4.170 0.007 0.000 0.238 462 I C 2.648 178.693 176.117 -0.121 0.000 1.070 462 I CA 1.541 62.727 61.300 -0.190 0.000 1.332 462 I CB -0.644 37.086 38.000 -0.449 0.000 1.044 462 I HN 0.112 nan 8.210 nan 0.000 0.402 463 V N 1.373 121.211 119.914 -0.126 0.000 2.250 463 V HA -0.398 3.726 4.120 0.007 0.000 0.250 463 V C 2.296 178.373 176.094 -0.029 0.000 1.060 463 V CA 2.598 64.854 62.300 -0.073 0.000 1.030 463 V CB -0.823 30.960 31.823 -0.068 0.000 0.643 463 V HN 0.558 nan 8.190 nan 0.000 0.445 464 D N -0.197 120.185 120.400 -0.030 0.000 2.103 464 D HA -0.259 4.385 4.640 0.007 0.000 0.190 464 D C 2.352 178.653 176.300 0.002 0.000 0.997 464 D CA 1.899 55.892 54.000 -0.011 0.000 0.833 464 D CB -0.284 40.510 40.800 -0.009 0.000 0.961 464 D HN 0.223 nan 8.370 nan 0.000 0.447 465 R N -1.057 119.444 120.500 0.002 0.000 2.154 465 R HA -0.178 4.166 4.340 0.007 0.000 0.248 465 R C 2.163 178.501 176.300 0.064 0.000 1.155 465 R CA 1.084 57.186 56.100 0.002 0.000 0.979 465 R CB -0.267 30.047 30.300 0.023 0.000 0.869 465 R HN 0.278 nan 8.270 nan 0.000 0.452 466 L N 0.386 121.691 121.223 0.137 0.000 2.109 466 L HA -0.109 4.236 4.340 0.007 0.000 0.207 466 L C 1.999 178.975 176.870 0.176 0.000 1.086 466 L CA 1.709 56.705 54.840 0.260 0.000 0.760 466 L CB -0.213 41.923 42.059 0.130 0.000 0.910 466 L HN 0.003 nan 8.230 nan 0.000 0.437 467 K N -1.401 119.046 120.400 0.078 0.000 2.228 467 K HA -0.011 4.313 4.320 0.007 0.000 0.202 467 K C 1.962 178.583 176.600 0.034 0.000 1.051 467 K CA 0.417 56.735 56.287 0.052 0.000 0.960 467 K CB 0.195 32.709 32.500 0.023 0.000 0.743 467 K HN 0.112 nan 8.250 nan 0.000 0.458 468 R N 0.907 121.411 120.500 0.007 0.000 1.950 468 R HA -0.010 4.334 4.340 0.007 0.000 0.197 468 R C 2.089 178.339 176.300 -0.084 0.000 1.471 468 R CA 0.824 56.905 56.100 -0.031 0.000 1.156 468 R CB -0.990 29.285 30.300 -0.042 0.000 0.905 468 R HN 0.189 nan 8.270 nan 0.000 0.489 469 E N 0.057 120.141 120.200 -0.193 0.000 2.208 469 E HA -0.201 4.154 4.350 0.007 0.000 0.202 469 E C 0.748 177.067 176.600 -0.468 0.000 1.014 469 E CA 1.427 57.587 56.400 -0.400 0.000 0.819 469 E CB 0.041 29.348 29.700 -0.655 0.000 0.735 469 E HN 0.201 nan 8.360 nan 0.000 0.469 470 F N 0.015 119.967 119.950 0.004 0.000 2.682 470 F HA 0.261 4.793 4.527 0.009 0.000 0.308 470 F C 0.243 176.044 175.800 0.002 0.000 1.093 470 F CA -0.315 57.688 58.000 0.005 0.000 1.244 470 F CB 0.664 39.667 39.000 0.004 0.000 1.052 470 F HN -0.243 nan 8.300 nan 0.000 0.573 471 K N 1.025 121.501 120.400 0.127 0.000 3.213 471 K HA -0.168 4.156 4.320 0.007 0.000 0.266 471 K C -0.613 176.038 176.600 0.084 0.000 0.911 471 K CA 0.219 56.554 56.287 0.080 0.000 0.684 471 K CB -2.067 30.466 32.500 0.055 0.000 1.402 471 K HN 0.091 nan 8.250 nan 0.000 0.465 472 V N 1.428 121.401 119.914 0.098 0.000 2.311 472 V HA 0.148 4.272 4.120 0.007 0.000 0.275 472 V C 0.484 176.602 176.094 0.039 0.000 1.022 472 V CA -0.635 61.703 62.300 0.064 0.000 0.830 472 V CB 1.515 33.374 31.823 0.061 0.000 1.012 472 V HN 0.138 nan 8.190 nan 0.000 0.452 473 D N 4.130 124.545 120.400 0.025 0.000 2.274 473 D HA 0.705 5.349 4.640 0.007 0.000 0.239 473 D C -0.120 176.183 176.300 0.006 0.000 1.104 473 D CA 0.290 54.298 54.000 0.014 0.000 0.840 473 D CB 2.268 43.075 40.800 0.011 0.000 1.100 473 D HN 0.666 nan 8.370 nan 0.000 0.477 474 A N 3.415 126.236 122.820 0.001 0.000 2.524 474 A HA 0.510 4.835 4.320 0.007 0.000 0.286 474 A C -0.644 176.935 177.584 -0.009 0.000 1.203 474 A CA -0.833 51.201 52.037 -0.005 0.000 0.736 474 A CB 1.278 20.273 19.000 -0.007 0.000 1.322 474 A HN 0.487 nan 8.150 nan 0.000 0.424 475 N N 0.468 119.161 118.700 -0.013 0.000 2.426 475 N HA 0.427 5.171 4.740 0.007 0.000 0.257 475 N C -1.160 174.338 175.510 -0.020 0.000 1.002 475 N CA -0.048 52.992 53.050 -0.016 0.000 0.942 475 N CB 1.662 40.138 38.487 -0.018 0.000 1.112 475 N HN 0.315 nan 8.380 nan 0.000 0.499 476 V N 1.355 121.257 119.914 -0.020 0.000 2.370 476 V HA 0.454 4.578 4.120 0.007 0.000 0.279 476 V C 1.158 177.237 176.094 -0.025 0.000 1.029 476 V CA -0.837 61.449 62.300 -0.024 0.000 0.870 476 V CB 1.245 33.053 31.823 -0.026 0.000 0.984 476 V HN 0.672 nan 8.190 nan 0.000 0.451 477 G N 3.824 112.609 108.800 -0.025 0.000 2.572 477 G HA2 0.319 4.283 3.960 0.007 0.000 0.261 477 G HA3 0.319 4.283 3.960 0.007 0.000 0.261 477 G C -0.142 174.742 174.900 -0.026 0.000 1.197 477 G CA -0.636 44.448 45.100 -0.027 0.000 0.870 477 G HN 0.529 nan 8.290 nan 0.000 0.548 478 K N 1.487 121.866 120.400 -0.034 0.000 2.401 478 K HA 0.170 4.494 4.320 0.007 0.000 0.278 478 K C -2.003 174.574 176.600 -0.038 0.000 1.018 478 K CA -1.311 54.946 56.287 -0.049 0.000 0.981 478 K CB 1.177 33.631 32.500 -0.076 0.000 0.933 478 K HN 0.324 nan 8.250 nan 0.000 0.477 479 P HA 0.060 nan 4.420 nan 0.000 0.268 479 P C -0.868 176.439 177.300 0.012 0.000 1.205 479 P CA 0.018 63.130 63.100 0.020 0.000 0.771 479 P CB 0.804 32.541 31.700 0.062 0.000 0.858 480 Q N 0.222 120.087 119.800 0.107 0.000 2.495 480 Q HA 0.497 4.841 4.340 0.007 0.000 0.287 480 Q C -0.791 175.319 176.000 0.183 0.000 1.078 480 Q CA -1.286 54.613 55.803 0.160 0.000 0.793 480 Q CB 2.297 31.141 28.738 0.176 0.000 1.459 480 Q HN 0.365 nan 8.270 nan 0.000 0.422 481 V N -0.474 119.496 119.914 0.093 0.000 2.461 481 V HA 0.641 4.765 4.120 0.007 0.000 0.275 481 V C 0.077 175.979 176.094 -0.321 0.000 1.047 481 V CA -0.208 61.981 62.300 -0.186 0.000 0.955 481 V CB 0.623 32.173 31.823 -0.455 0.000 0.988 481 V HN 0.862 nan 8.190 nan 0.000 0.471 482 A N 5.969 128.716 122.820 -0.121 0.000 3.076 482 A HA 0.318 4.642 4.320 0.007 0.000 0.269 482 A C 0.078 177.633 177.584 -0.048 0.000 1.916 482 A CA -0.169 51.899 52.037 0.052 0.000 1.492 482 A CB -1.444 17.639 19.000 0.139 0.000 1.000 482 A HN 0.891 nan 8.150 nan 0.000 0.615 483 Y N 0.942 120.994 120.300 -0.413 0.000 2.459 483 Y HA 0.260 4.813 4.550 0.006 0.000 0.349 483 Y C 1.246 177.008 175.900 -0.230 0.000 1.266 483 Y CA 0.641 58.488 58.100 -0.422 0.000 1.483 483 Y CB 0.477 38.426 38.460 -0.850 0.000 1.362 483 Y HN 0.482 nan 8.280 nan 0.000 0.628 484 R N 0.781 121.301 120.500 0.032 0.000 2.774 484 R HA 0.437 4.782 4.340 0.007 0.000 0.272 484 R C -1.148 175.151 176.300 -0.001 0.000 1.000 484 R CA -1.057 55.027 56.100 -0.026 0.000 0.906 484 R CB 2.069 32.178 30.300 -0.318 0.000 1.227 484 R HN 0.718 nan 8.270 nan 0.000 0.468 485 E N 0.069 120.278 120.200 0.016 0.000 2.263 485 E HA 0.603 4.957 4.350 0.007 0.000 0.264 485 E C -0.824 175.774 176.600 -0.004 0.000 0.923 485 E CA -0.728 55.681 56.400 0.015 0.000 0.802 485 E CB 2.655 32.380 29.700 0.043 0.000 1.228 485 E HN 0.402 nan 8.360 nan 0.000 0.417 486 T N 0.487 115.043 114.554 0.005 0.000 2.893 486 T HA 0.362 4.716 4.350 0.007 0.000 0.337 486 T C -1.252 173.458 174.700 0.018 0.000 1.587 486 T CA -0.708 61.399 62.100 0.011 0.000 1.066 486 T CB 0.672 69.545 68.868 0.009 0.000 1.414 486 T HN 0.514 nan 8.240 nan 0.000 0.488 487 I N 1.214 121.799 120.570 0.025 0.000 2.970 487 I HA 0.721 4.895 4.170 0.007 0.000 0.310 487 I C 0.965 177.096 176.117 0.024 0.000 1.010 487 I CA -0.449 60.865 61.300 0.025 0.000 1.228 487 I CB 1.490 39.508 38.000 0.030 0.000 1.433 487 I HN 0.741 nan 8.210 nan 0.000 0.573 488 T N -0.842 113.724 114.554 0.021 0.000 3.337 488 T HA 0.378 4.732 4.350 0.007 0.000 0.299 488 T C -0.228 174.482 174.700 0.017 0.000 0.998 488 T CA -0.524 61.588 62.100 0.019 0.000 0.948 488 T CB -0.436 68.442 68.868 0.017 0.000 1.170 488 T HN 0.923 nan 8.240 nan 0.000 0.508 489 K N -0.526 119.885 120.400 0.018 0.000 2.572 489 K HA 0.622 4.947 4.320 0.007 0.000 0.263 489 K C -3.681 172.929 176.600 0.017 0.000 0.932 489 K CA -1.812 54.484 56.287 0.015 0.000 0.838 489 K CB 0.861 33.369 32.500 0.013 0.000 1.366 489 K HN -0.211 nan 8.250 nan 0.000 0.425 490 P HA 0.062 nan 4.420 nan 0.000 0.268 490 P C -0.837 176.473 177.300 0.018 0.000 1.205 490 P CA -0.556 62.552 63.100 0.013 0.000 0.771 490 P CB 0.879 32.579 31.700 0.001 0.000 0.858 491 V N -0.938 118.992 119.914 0.028 0.000 3.007 491 V HA 0.721 4.845 4.120 0.007 0.000 0.311 491 V C -1.217 174.909 176.094 0.053 0.000 1.120 491 V CA -0.802 61.521 62.300 0.037 0.000 0.980 491 V CB 2.693 34.541 31.823 0.043 0.000 1.033 491 V HN 0.347 nan 8.190 nan 0.000 0.429 492 D N 1.991 122.431 120.400 0.066 0.000 2.473 492 D HA 0.631 5.275 4.640 0.007 0.000 0.253 492 D C -0.528 175.845 176.300 0.121 0.000 1.233 492 D CA 0.005 54.072 54.000 0.111 0.000 0.908 492 D CB 1.740 42.591 40.800 0.085 0.000 1.170 492 D HN 1.006 nan 8.370 nan 0.000 0.558 493 V N 0.873 120.866 119.914 0.131 0.000 3.164 493 V HA 0.854 4.978 4.120 0.007 0.000 0.313 493 V C -0.586 175.568 176.094 0.101 0.000 1.188 493 V CA -0.924 61.437 62.300 0.102 0.000 1.058 493 V CB 1.894 33.763 31.823 0.077 0.000 1.110 493 V HN 0.547 nan 8.190 nan 0.000 0.453 494 E N 0.222 120.473 120.200 0.085 0.000 2.393 494 E HA 0.797 5.152 4.350 0.007 0.000 0.273 494 E C -0.588 176.062 176.600 0.083 0.000 0.918 494 E CA -0.927 55.526 56.400 0.088 0.000 0.773 494 E CB 2.340 32.126 29.700 0.143 0.000 1.275 494 E HN 1.227 nan 8.360 nan 0.000 0.451 495 G N 1.473 110.331 108.800 0.098 0.000 2.666 495 G HA2 0.498 4.462 3.960 0.007 0.000 0.303 495 G HA3 0.498 4.462 3.960 0.007 0.000 0.303 495 G C -1.257 173.685 174.900 0.071 0.000 1.412 495 G CA -0.738 44.401 45.100 0.066 0.000 0.979 495 G HN 0.299 nan 8.290 nan 0.000 0.507 496 K N 1.020 121.416 120.400 -0.007 0.000 2.316 496 K HA 0.549 4.874 4.320 0.007 0.000 0.251 496 K C -1.880 174.672 176.600 -0.081 0.000 0.934 496 K CA -0.869 55.335 56.287 -0.137 0.000 0.802 496 K CB 2.702 35.044 32.500 -0.264 0.000 1.171 496 K HN 0.362 nan 8.250 nan 0.000 0.426 497 F N 4.845 124.577 119.950 -0.364 0.000 2.810 497 F HA 0.446 4.977 4.527 0.006 0.000 0.373 497 F C -1.468 174.135 175.800 -0.329 0.000 1.174 497 F CA -0.646 57.186 58.000 -0.280 0.000 1.141 497 F CB 0.523 39.382 39.000 -0.235 0.000 1.420 497 F HN 0.323 nan 8.300 nan 0.000 0.518 498 I N 6.700 126.882 120.570 -0.647 0.000 2.420 498 I HA 0.545 4.719 4.170 0.007 0.000 0.282 498 I C -0.598 175.202 176.117 -0.529 0.000 1.019 498 I CA -0.488 60.502 61.300 -0.516 0.000 1.130 498 I CB 1.343 39.143 38.000 -0.332 0.000 1.262 498 I HN 0.507 nan 8.210 nan 0.000 0.454 499 R N 4.051 124.212 120.500 -0.564 0.000 2.663 499 R HA 0.303 4.648 4.340 0.007 0.000 0.267 499 R C -0.889 175.269 176.300 -0.237 0.000 1.038 499 R CA -0.971 54.882 56.100 -0.412 0.000 0.886 499 R CB 2.046 32.021 30.300 -0.543 0.000 1.249 499 R HN 0.379 nan 8.270 nan 0.000 0.463 500 Q N 1.457 121.173 119.800 -0.140 0.000 3.122 500 Q HA 0.124 4.469 4.340 0.007 0.000 0.360 500 Q C -0.574 175.398 176.000 -0.047 0.000 1.300 500 Q CA 0.226 55.986 55.803 -0.072 0.000 0.982 500 Q CB 0.575 29.282 28.738 -0.053 0.000 1.534 500 Q HN 0.485 nan 8.270 nan 0.000 0.474 501 T N 0.178 114.708 114.554 -0.040 0.000 2.853 501 T HA 0.179 4.534 4.350 0.007 0.000 0.298 501 T C 0.845 175.559 174.700 0.024 0.000 0.978 501 T CA 0.636 62.743 62.100 0.012 0.000 1.152 501 T CB 0.489 69.406 68.868 0.081 0.000 0.914 501 T HN 0.710 nan 8.240 nan 0.000 0.539 502 G N 2.800 111.612 108.800 0.021 0.000 2.386 502 G HA2 -0.017 3.947 3.960 0.007 0.000 0.295 502 G HA3 -0.017 3.947 3.960 0.007 0.000 0.295 502 G C 1.219 176.129 174.900 0.015 0.000 0.979 502 G CA 0.416 45.528 45.100 0.020 0.000 1.193 502 G HN 1.601 nan 8.290 nan 0.000 0.508 503 G N 0.357 109.162 108.800 0.007 0.000 4.148 503 G HA2 -0.297 3.667 3.960 0.007 0.000 0.221 503 G HA3 -0.297 3.667 3.960 0.007 0.000 0.221 503 G C 0.936 175.840 174.900 0.006 0.000 1.373 503 G CA 1.425 46.529 45.100 0.005 0.000 0.940 503 G HN 2.056 nan 8.290 nan 0.000 0.610 504 R N 1.516 122.024 120.500 0.015 0.000 2.707 504 R HA 0.560 4.905 4.340 0.007 0.000 0.270 504 R C 0.602 176.909 176.300 0.012 0.000 1.083 504 R CA 0.139 56.250 56.100 0.019 0.000 1.182 504 R CB 0.463 30.782 30.300 0.033 0.000 1.084 504 R HN 0.865 nan 8.270 nan 0.000 0.528 505 G N 0.879 109.687 108.800 0.013 0.000 2.367 505 G HA2 0.310 4.275 3.960 0.007 0.000 0.314 505 G HA3 0.310 4.275 3.960 0.007 0.000 0.314 505 G C -0.926 173.986 174.900 0.021 0.000 1.130 505 G CA -0.704 44.395 45.100 -0.001 0.000 0.864 505 G HN 0.459 nan 8.290 nan 0.000 0.486 506 Q N 0.176 119.968 119.800 -0.013 0.000 2.353 506 Q HA 0.340 4.684 4.340 0.007 0.000 0.268 506 Q C -1.911 174.089 176.000 0.001 0.000 1.045 506 Q CA -0.801 55.023 55.803 0.036 0.000 0.811 506 Q CB 2.933 31.742 28.738 0.118 0.000 1.305 506 Q HN 0.634 nan 8.270 nan 0.000 0.447 507 Y N -0.031 120.214 120.300 -0.092 0.000 2.315 507 Y HA 0.574 5.127 4.550 0.005 0.000 0.324 507 Y C -0.899 174.810 175.900 -0.318 0.000 1.062 507 Y CA -0.581 57.423 58.100 -0.160 0.000 1.159 507 Y CB 1.517 39.913 38.460 -0.107 0.000 1.145 507 Y HN 0.643 nan 8.280 nan 0.000 0.442 508 G N 4.749 113.185 108.800 -0.607 0.000 2.609 508 G HA2 0.400 4.364 3.960 0.007 0.000 0.308 508 G HA3 0.400 4.364 3.960 0.007 0.000 0.308 508 G C -2.275 172.153 174.900 -0.787 0.000 1.369 508 G CA -0.667 43.779 45.100 -1.089 0.000 0.958 508 G HN 0.778 nan 8.290 nan 0.000 0.499 509 H N 1.589 120.199 119.070 -0.767 0.000 2.924 509 H HA 0.555 5.114 4.556 0.006 0.000 0.333 509 H C -1.060 174.312 175.328 0.073 0.000 0.979 509 H CA -0.774 55.121 56.048 -0.255 0.000 1.326 509 H CB 2.064 31.761 29.762 -0.109 0.000 1.600 509 H HN 0.553 nan 8.280 nan 0.000 0.520 510 V N 2.346 122.251 119.914 -0.016 0.000 2.914 510 V HA 0.597 4.721 4.120 0.007 0.000 0.314 510 V C -1.084 174.902 176.094 -0.180 0.000 1.084 510 V CA -0.990 61.268 62.300 -0.071 0.000 0.963 510 V CB 2.259 34.145 31.823 0.105 0.000 1.025 510 V HN 0.695 nan 8.190 nan 0.000 0.432 511 K N 5.137 125.360 120.400 -0.296 0.000 2.616 511 K HA 0.561 4.885 4.320 0.007 0.000 0.241 511 K C -0.871 175.472 176.600 -0.429 0.000 0.961 511 K CA -0.311 55.757 56.287 -0.364 0.000 0.942 511 K CB 2.107 34.258 32.500 -0.583 0.000 1.153 511 K HN 0.940 nan 8.250 nan 0.000 0.452 512 I N -1.334 119.219 120.570 -0.029 0.000 2.707 512 I HA 0.506 4.680 4.170 0.007 0.000 0.309 512 I C -0.705 175.604 176.117 0.321 0.000 1.001 512 I CA -0.953 60.438 61.300 0.151 0.000 1.129 512 I CB 1.467 39.548 38.000 0.136 0.000 1.308 512 I HN 0.199 nan 8.210 nan 0.000 0.466 513 K N 4.053 124.627 120.400 0.290 0.000 2.394 513 K HA 0.632 4.956 4.320 0.007 0.000 0.260 513 K C -1.459 175.190 176.600 0.080 0.000 0.967 513 K CA -0.638 55.739 56.287 0.150 0.000 0.855 513 K CB 2.358 34.862 32.500 0.008 0.000 1.101 513 K HN 0.497 nan 8.250 nan 0.000 0.433 514 V N 3.510 123.468 119.914 0.074 0.000 2.495 514 V HA 0.352 4.476 4.120 0.007 0.000 0.298 514 V C -0.348 175.774 176.094 0.047 0.000 1.031 514 V CA -0.818 61.523 62.300 0.069 0.000 0.871 514 V CB 1.461 33.339 31.823 0.092 0.000 0.988 514 V HN 0.833 nan 8.190 nan 0.000 0.432 515 E N 5.453 125.676 120.200 0.038 0.000 2.343 515 E HA 0.602 4.957 4.350 0.007 0.000 0.270 515 E C -3.054 173.569 176.600 0.037 0.000 0.895 515 E CA -2.486 53.931 56.400 0.027 0.000 0.767 515 E CB 2.792 32.496 29.700 0.007 0.000 1.248 515 E HN 0.400 nan 8.360 nan 0.000 0.440 516 P HA 0.042 nan 4.420 nan 0.000 0.267 516 P C -0.801 176.520 177.300 0.034 0.000 1.205 516 P CA -0.336 62.785 63.100 0.036 0.000 0.765 516 P CB 0.712 32.429 31.700 0.029 0.000 0.828 517 L N 6.843 128.092 121.223 0.044 0.000 2.360 517 L HA 0.535 4.880 4.340 0.007 0.000 0.271 517 L C -2.174 174.720 176.870 0.039 0.000 1.057 517 L CA -2.461 52.403 54.840 0.040 0.000 0.803 517 L CB 0.518 42.610 42.059 0.055 0.000 1.207 517 L HN 0.256 nan 8.230 nan 0.000 0.445 518 P HA 0.076 nan 4.420 nan 0.000 0.264 518 P C -1.006 176.324 177.300 0.050 0.000 1.193 518 P CA -0.399 62.722 63.100 0.036 0.000 0.763 518 P CB 0.287 32.004 31.700 0.028 0.000 0.810 519 R N 3.397 123.930 120.500 0.055 0.000 2.730 519 R HA 0.117 4.461 4.340 0.007 0.000 0.327 519 R C 1.409 177.767 176.300 0.096 0.000 0.825 519 R CA 1.876 58.023 56.100 0.079 0.000 1.130 519 R CB -1.625 28.729 30.300 0.090 0.000 0.883 519 R HN 0.836 nan 8.270 nan 0.000 0.407 520 G N 1.767 110.629 108.800 0.104 0.000 2.195 520 G HA2 -0.279 3.686 3.960 0.007 0.000 0.224 520 G HA3 -0.279 3.686 3.960 0.007 0.000 0.224 520 G C 0.982 175.938 174.900 0.094 0.000 0.990 520 G CA 0.275 45.447 45.100 0.120 0.000 0.639 520 G HN 0.560 nan 8.290 nan 0.000 0.514 521 S N 0.418 116.164 115.700 0.077 0.000 2.447 521 S HA 0.340 4.815 4.470 0.007 0.000 0.233 521 S C 2.234 176.882 174.600 0.080 0.000 1.006 521 S CA 1.857 60.097 58.200 0.067 0.000 0.957 521 S CB -0.307 62.924 63.200 0.052 0.000 0.773 521 S HN 2.285 nan 8.310 nan 0.000 0.507 522 G N 1.199 110.056 108.800 0.095 0.000 2.554 522 G HA2 -0.248 3.716 3.960 0.007 0.000 0.253 522 G HA3 -0.248 3.716 3.960 0.007 0.000 0.253 522 G C -0.470 174.557 174.900 0.211 0.000 1.172 522 G CA 0.055 45.232 45.100 0.128 0.000 0.950 522 G HN 0.456 nan 8.290 nan 0.000 0.557 523 F N 2.367 122.337 119.950 0.034 0.000 2.563 523 F HA 0.801 5.331 4.527 0.006 0.000 0.316 523 F C -0.387 175.449 175.800 0.060 0.000 1.076 523 F CA -0.644 57.384 58.000 0.047 0.000 0.921 523 F CB 2.239 41.268 39.000 0.049 0.000 1.209 523 F HN 0.775 nan 8.300 nan 0.000 0.462 524 E N 5.336 125.132 120.200 -0.673 0.000 2.291 524 E HA 0.336 4.690 4.350 0.007 0.000 0.276 524 E C -2.303 173.827 176.600 -0.784 0.000 0.896 524 E CA -0.613 55.425 56.400 -0.602 0.000 0.774 524 E CB 1.648 31.206 29.700 -0.237 0.000 1.227 524 E HN 0.551 nan 8.360 nan 0.000 0.413 525 F N 4.988 124.493 119.950 -0.741 0.000 2.467 525 F HA 0.551 5.085 4.527 0.011 0.000 0.336 525 F C -1.599 174.084 175.800 -0.195 0.000 1.123 525 F CA -0.548 57.199 58.000 -0.422 0.000 0.964 525 F CB 1.325 40.150 39.000 -0.292 0.000 1.136 525 F HN 0.214 nan 8.300 nan 0.000 0.447 526 V N 5.465 124.878 119.914 -0.834 0.000 2.409 526 V HA 0.271 4.395 4.120 0.007 0.000 0.291 526 V C -0.814 174.871 176.094 -0.682 0.000 1.020 526 V CA -0.879 61.116 62.300 -0.507 0.000 0.848 526 V CB 1.630 33.272 31.823 -0.302 0.000 0.990 526 V HN 0.715 nan 8.190 nan 0.000 0.430 527 N N 4.106 122.642 118.700 -0.273 0.000 2.500 527 N HA 0.435 5.179 4.740 0.007 0.000 0.236 527 N C 0.424 175.913 175.510 -0.035 0.000 1.022 527 N CA -0.020 52.983 53.050 -0.078 0.000 0.935 527 N CB 1.656 40.269 38.487 0.210 0.000 1.147 527 N HN 0.730 nan 8.380 nan 0.000 0.512 528 A N 4.556 127.356 122.820 -0.033 0.000 2.379 528 A HA 0.219 4.543 4.320 0.007 0.000 0.236 528 A C 0.672 178.286 177.584 0.049 0.000 1.272 528 A CA -0.361 51.685 52.037 0.015 0.000 0.886 528 A CB -0.384 18.638 19.000 0.038 0.000 0.962 528 A HN 0.621 nan 8.150 nan 0.000 0.504 529 I N 0.197 120.793 120.570 0.043 0.000 2.880 529 I HA -0.074 4.100 4.170 0.007 0.000 0.296 529 I C 1.336 177.475 176.117 0.036 0.000 1.220 529 I CA 0.724 62.048 61.300 0.040 0.000 1.435 529 I CB 0.871 38.889 38.000 0.030 0.000 1.339 529 I HN 0.106 nan 8.210 nan 0.000 0.583 530 V N 4.679 124.618 119.914 0.041 0.000 3.250 530 V HA 0.177 4.301 4.120 0.007 0.000 0.240 530 V C 1.349 177.462 176.094 0.033 0.000 1.275 530 V CA 0.864 63.185 62.300 0.036 0.000 1.206 530 V CB 0.696 32.546 31.823 0.045 0.000 0.976 530 V HN 0.888 nan 8.190 nan 0.000 0.467 531 G N -0.507 108.320 108.800 0.044 0.000 4.222 531 G HA2 0.462 4.426 3.960 0.007 0.000 0.301 531 G HA3 0.462 4.426 3.960 0.007 0.000 0.301 531 G C 1.065 175.994 174.900 0.049 0.000 1.171 531 G CA 0.382 45.509 45.100 0.046 0.000 0.937 531 G HN 0.885 nan 8.290 nan 0.000 0.557 532 G N -0.517 108.295 108.800 0.020 0.000 2.160 532 G HA2 -0.322 3.642 3.960 0.007 0.000 0.251 532 G HA3 -0.322 3.642 3.960 0.007 0.000 0.251 532 G C 1.235 176.165 174.900 0.049 0.000 1.008 532 G CA 0.446 45.537 45.100 -0.015 0.000 0.724 532 G HN 0.637 nan 8.290 nan 0.000 0.514 533 V N -0.380 119.589 119.914 0.091 0.000 2.392 533 V HA 0.004 4.128 4.120 0.007 0.000 0.249 533 V C 1.611 177.842 176.094 0.227 0.000 1.059 533 V CA 2.036 64.442 62.300 0.176 0.000 1.051 533 V CB -0.187 31.703 31.823 0.111 0.000 0.658 533 V HN 0.553 nan 8.190 nan 0.000 0.455 534 I N 0.692 121.302 120.570 0.067 0.000 2.448 534 I HA 0.333 4.507 4.170 0.007 0.000 0.281 534 I C -2.647 173.357 176.117 -0.188 0.000 1.027 534 I CA -2.008 59.280 61.300 -0.020 0.000 1.111 534 I CB 2.007 39.967 38.000 -0.068 0.000 1.236 534 I HN 0.053 nan 8.210 nan 0.000 0.452 535 P HA -0.088 nan 4.420 nan 0.000 0.257 535 P C 0.260 177.352 177.300 -0.346 0.000 1.162 535 P CA -0.002 62.872 63.100 -0.377 0.000 0.762 535 P CB 0.443 31.869 31.700 -0.457 0.000 0.753 536 K N 3.961 124.200 120.400 -0.267 0.000 2.189 536 K HA -0.265 4.059 4.320 0.007 0.000 0.207 536 K C 1.117 177.537 176.600 -0.301 0.000 1.046 536 K CA 1.950 58.105 56.287 -0.220 0.000 0.928 536 K CB -1.144 31.262 32.500 -0.157 0.000 0.720 536 K HN 0.485 nan 8.250 nan 0.000 0.458 537 E N -0.330 119.587 120.200 -0.472 0.000 2.284 537 E HA -0.213 4.141 4.350 0.007 0.000 0.200 537 E C 1.000 177.228 176.600 -0.621 0.000 1.008 537 E CA 1.430 57.468 56.400 -0.604 0.000 0.829 537 E CB -0.377 28.800 29.700 -0.872 0.000 0.744 537 E HN 0.595 nan 8.360 nan 0.000 0.491 538 Y N -0.744 119.412 120.300 -0.240 0.000 2.462 538 Y HA 0.150 4.700 4.550 0.001 0.000 0.253 538 Y C 1.898 177.664 175.900 -0.223 0.000 1.095 538 Y CA -0.566 57.377 58.100 -0.262 0.000 1.283 538 Y CB 0.146 38.269 38.460 -0.561 0.000 1.138 538 Y HN -0.047 nan 8.280 nan 0.000 0.522 539 I N 2.191 122.704 120.570 -0.095 0.000 2.113 539 I HA -0.271 3.903 4.170 0.007 0.000 0.242 539 I C -0.244 175.818 176.117 -0.092 0.000 1.057 539 I CA 1.908 63.172 61.300 -0.059 0.000 1.314 539 I CB -2.245 35.735 38.000 -0.033 0.000 1.022 539 I HN 0.137 nan 8.210 nan 0.000 0.408 540 P HA -0.121 nan 4.420 nan 0.000 0.217 540 P C 1.532 178.784 177.300 -0.079 0.000 1.150 540 P CA 2.026 65.059 63.100 -0.113 0.000 0.832 540 P CB -0.017 31.637 31.700 -0.077 0.000 0.787 541 A N 0.105 122.921 122.820 -0.007 0.000 1.972 541 A HA -0.103 4.221 4.320 0.007 0.000 0.219 541 A C 2.412 180.023 177.584 0.045 0.000 1.169 541 A CA 1.622 53.687 52.037 0.047 0.000 0.635 541 A CB -1.640 17.452 19.000 0.154 0.000 0.810 541 A HN 0.175 nan 8.150 nan 0.000 0.446 542 V N -0.435 119.509 119.914 0.050 0.000 2.871 542 V HA -0.176 3.948 4.120 0.007 0.000 0.256 542 V C 2.161 178.240 176.094 -0.026 0.000 1.082 542 V CA 2.095 64.442 62.300 0.078 0.000 1.105 542 V CB -0.485 31.436 31.823 0.165 0.000 0.713 542 V HN 0.699 nan 8.190 nan 0.000 0.473 543 Q N -0.235 119.464 119.800 -0.169 0.000 2.137 543 Q HA -0.163 4.182 4.340 0.007 0.000 0.198 543 Q C 2.251 178.183 176.000 -0.114 0.000 0.960 543 Q CA 1.515 57.151 55.803 -0.277 0.000 0.847 543 Q CB -0.184 28.263 28.738 -0.485 0.000 0.915 543 Q HN 0.589 nan 8.270 nan 0.000 0.448 544 K N 0.554 120.903 120.400 -0.085 0.000 2.097 544 K HA -0.144 4.180 4.320 0.007 0.000 0.206 544 K C 1.981 178.547 176.600 -0.056 0.000 1.049 544 K CA 1.411 57.662 56.287 -0.059 0.000 0.933 544 K CB -0.264 32.211 32.500 -0.041 0.000 0.717 544 K HN 0.250 nan 8.250 nan 0.000 0.442 545 G N 1.287 110.062 108.800 -0.043 0.000 2.408 545 G HA2 -0.188 3.776 3.960 0.007 0.000 0.217 545 G HA3 -0.188 3.776 3.960 0.007 0.000 0.217 545 G C 1.492 176.365 174.900 -0.045 0.000 1.150 545 G CA 0.799 45.872 45.100 -0.045 0.000 0.776 545 G HN 0.264 nan 8.290 nan 0.000 0.542 546 I N 0.478 121.033 120.570 -0.025 0.000 2.202 546 I HA -0.109 4.065 4.170 0.007 0.000 0.242 546 I C 2.620 178.663 176.117 -0.124 0.000 1.091 546 I CA 1.351 62.636 61.300 -0.025 0.000 1.368 546 I CB -0.298 37.752 38.000 0.085 0.000 1.058 546 I HN 0.285 nan 8.210 nan 0.000 0.410 547 E N 1.585 121.699 120.200 -0.143 0.000 2.130 547 E HA -0.291 4.063 4.350 0.007 0.000 0.196 547 E C 1.923 178.427 176.600 -0.160 0.000 0.998 547 E CA 1.722 58.001 56.400 -0.202 0.000 0.806 547 E CB 0.025 29.651 29.700 -0.124 0.000 0.738 547 E HN 0.536 nan 8.360 nan 0.000 0.459 548 E N -0.465 119.666 120.200 -0.114 0.000 2.158 548 E HA -0.040 4.315 4.350 0.007 0.000 0.191 548 E C 1.666 178.206 176.600 -0.100 0.000 0.982 548 E CA 0.734 57.074 56.400 -0.101 0.000 0.823 548 E CB 0.069 29.719 29.700 -0.084 0.000 0.766 548 E HN 0.337 nan 8.360 nan 0.000 0.468 549 A N 0.129 122.894 122.820 -0.092 0.000 2.238 549 A HA 0.059 4.383 4.320 0.007 0.000 0.208 549 A C 1.732 179.265 177.584 -0.085 0.000 1.177 549 A CA 0.336 52.327 52.037 -0.077 0.000 0.804 549 A CB -0.095 18.872 19.000 -0.055 0.000 0.823 549 A HN 0.137 nan 8.150 nan 0.000 0.482 550 M N -1.187 118.340 119.600 -0.121 0.000 2.465 550 M HA 0.018 4.503 4.480 0.007 0.000 0.249 550 M C 1.377 177.604 176.300 -0.121 0.000 1.130 550 M CA 0.376 55.595 55.300 -0.136 0.000 1.067 550 M CB 0.062 32.522 32.600 -0.232 0.000 1.394 550 M HN 0.455 nan 8.290 nan 0.000 0.483 551 Q N -0.145 119.580 119.800 -0.126 0.000 2.515 551 Q HA 0.027 4.371 4.340 0.007 0.000 0.212 551 Q C 0.292 176.206 176.000 -0.144 0.000 0.970 551 Q CA 0.362 56.084 55.803 -0.136 0.000 0.941 551 Q CB 0.228 28.878 28.738 -0.146 0.000 0.998 551 Q HN 0.167 nan 8.270 nan 0.000 0.518 552 S N -0.026 115.612 115.700 -0.103 0.000 2.446 552 S HA 0.432 4.906 4.470 0.007 0.000 0.230 552 S C -0.170 174.410 174.600 -0.032 0.000 1.051 552 S CA -0.652 57.498 58.200 -0.083 0.000 1.113 552 S CB 0.431 63.573 63.200 -0.096 0.000 1.184 552 S HN 0.333 nan 8.310 nan 0.000 0.435 553 G N 4.420 113.224 108.800 0.007 0.000 2.716 553 G HA2 0.385 4.350 3.960 0.007 0.000 0.251 553 G HA3 0.385 4.350 3.960 0.007 0.000 0.251 553 G C -1.269 173.646 174.900 0.024 0.000 1.224 553 G CA -0.909 44.204 45.100 0.022 0.000 0.891 553 G HN 0.504 nan 8.290 nan 0.000 0.561 554 P HA -0.040 nan 4.420 nan 0.000 0.216 554 P C 2.195 179.511 177.300 0.026 0.000 1.156 554 P CA 0.700 63.812 63.100 0.019 0.000 0.855 554 P CB 0.195 31.903 31.700 0.013 0.000 0.786 555 L N 0.041 121.279 121.223 0.025 0.000 2.021 555 L HA -0.129 4.215 4.340 0.007 0.000 0.215 555 L C 2.263 179.154 176.870 0.035 0.000 1.074 555 L CA 2.110 56.961 54.840 0.018 0.000 0.760 555 L CB -0.863 41.196 42.059 0.000 0.000 0.889 555 L HN 0.081 nan 8.230 nan 0.000 0.433 556 I N -5.406 115.213 120.570 0.081 0.000 4.051 556 I HA 0.405 4.579 4.170 0.007 0.000 0.333 556 I C 0.861 177.100 176.117 0.203 0.000 1.399 556 I CA 0.116 61.505 61.300 0.147 0.000 1.087 556 I CB 0.531 38.640 38.000 0.182 0.000 1.625 556 I HN 0.153 nan 8.210 nan 0.000 0.617 557 G N 1.667 110.534 108.800 0.112 0.000 2.225 557 G HA2 -0.309 3.655 3.960 0.007 0.000 0.267 557 G HA3 -0.309 3.655 3.960 0.007 0.000 0.267 557 G C -0.244 174.631 174.900 -0.042 0.000 1.024 557 G CA 0.396 45.513 45.100 0.029 0.000 0.784 557 G HN 0.460 nan 8.290 nan 0.000 0.507 558 F N -0.010 119.946 119.950 0.010 0.000 2.440 558 F HA 0.570 5.101 4.527 0.008 0.000 0.328 558 F C -1.677 174.107 175.800 -0.026 0.000 1.070 558 F CA -2.412 55.597 58.000 0.015 0.000 1.011 558 F CB 1.519 40.567 39.000 0.080 0.000 1.226 558 F HN -0.161 nan 8.300 nan 0.000 0.491 559 P HA -0.026 nan 4.420 nan 0.000 0.264 559 P C -1.067 176.244 177.300 0.018 0.000 1.179 559 P CA 0.145 63.264 63.100 0.030 0.000 0.763 559 P CB 0.293 32.005 31.700 0.019 0.000 0.806 560 V N 4.670 124.564 119.914 -0.032 0.000 2.439 560 V HA 0.443 4.567 4.120 0.007 0.000 0.282 560 V C 0.717 176.777 176.094 -0.057 0.000 1.039 560 V CA -0.133 62.145 62.300 -0.036 0.000 0.913 560 V CB 1.165 32.962 31.823 -0.044 0.000 0.983 560 V HN 0.470 nan 8.190 nan 0.000 0.460 561 V N 0.597 120.488 119.914 -0.037 0.000 3.182 561 V HA 0.729 4.853 4.120 0.007 0.000 0.308 561 V C -0.691 175.416 176.094 0.023 0.000 1.240 561 V CA -1.076 61.212 62.300 -0.020 0.000 1.063 561 V CB 2.002 33.785 31.823 -0.066 0.000 1.076 561 V HN 0.703 nan 8.190 nan 0.000 0.446 562 D N 0.707 121.144 120.400 0.062 0.000 2.746 562 D HA -0.148 4.496 4.640 0.007 0.000 0.241 562 D C -0.396 175.959 176.300 0.092 0.000 1.140 562 D CA 1.798 55.843 54.000 0.075 0.000 0.707 562 D CB -1.267 39.561 40.800 0.046 0.000 1.034 562 D HN 1.208 nan 8.370 nan 0.000 0.423 563 I N -3.842 116.820 120.570 0.153 0.000 2.802 563 I HA 0.546 4.720 4.170 0.007 0.000 0.298 563 I C -0.613 175.625 176.117 0.202 0.000 1.176 563 I CA -1.196 60.200 61.300 0.159 0.000 1.025 563 I CB 2.631 40.727 38.000 0.160 0.000 1.243 563 I HN -0.154 nan 8.210 nan 0.000 0.424 564 K N 4.364 124.830 120.400 0.110 0.000 2.235 564 K HA 0.694 5.018 4.320 0.007 0.000 0.266 564 K C -1.715 174.916 176.600 0.052 0.000 0.980 564 K CA -0.622 55.685 56.287 0.034 0.000 0.849 564 K CB 1.999 34.489 32.500 -0.017 0.000 1.098 564 K HN 0.641 nan 8.250 nan 0.000 0.445 565 V N 3.715 123.642 119.914 0.023 0.000 2.378 565 V HA 0.286 4.410 4.120 0.007 0.000 0.288 565 V C -0.620 175.331 176.094 -0.239 0.000 1.016 565 V CA -0.635 61.693 62.300 0.045 0.000 0.840 565 V CB 1.704 33.736 31.823 0.348 0.000 0.994 565 V HN 0.823 nan 8.190 nan 0.000 0.431 566 T N 6.295 120.758 114.554 -0.152 0.000 2.842 566 T HA 0.411 4.765 4.350 0.007 0.000 0.308 566 T C -0.459 174.219 174.700 -0.037 0.000 1.041 566 T CA -0.238 61.733 62.100 -0.214 0.000 0.964 566 T CB 0.986 69.792 68.868 -0.103 0.000 0.972 566 T HN 0.459 nan 8.240 nan 0.000 0.460 567 L N 5.706 126.836 121.223 -0.154 0.000 2.325 567 L HA 0.357 4.701 4.340 0.007 0.000 0.284 567 L C 0.272 177.165 176.870 0.039 0.000 1.089 567 L CA 0.054 54.897 54.840 0.005 0.000 0.836 567 L CB -0.193 41.948 42.059 0.136 0.000 1.184 567 L HN 0.734 nan 8.230 nan 0.000 0.444 568 Y N 1.412 121.701 120.300 -0.018 0.000 2.426 568 Y HA 0.561 5.116 4.550 0.008 0.000 0.249 568 Y C 0.080 175.983 175.900 0.006 0.000 1.103 568 Y CA -0.662 57.430 58.100 -0.014 0.000 1.256 568 Y CB 0.157 38.604 38.460 -0.022 0.000 1.208 568 Y HN 0.533 nan 8.280 nan 0.000 0.519 569 D N -0.888 119.166 120.400 -0.577 0.000 2.759 569 D HA 0.596 5.240 4.640 0.007 0.000 0.321 569 D C -0.158 175.945 176.300 -0.329 0.000 1.267 569 D CA 0.553 54.343 54.000 -0.350 0.000 0.933 569 D CB 1.785 42.369 40.800 -0.360 0.000 1.431 569 D HN 0.452 nan 8.370 nan 0.000 0.504 570 G N -0.461 108.177 108.800 -0.270 0.000 2.332 570 G HA2 0.547 4.512 3.960 0.007 0.000 0.265 570 G HA3 0.547 4.512 3.960 0.007 0.000 0.265 570 G C -1.412 173.474 174.900 -0.023 0.000 1.329 570 G CA 0.344 45.189 45.100 -0.424 0.000 0.949 570 G HN 1.385 nan 8.290 nan 0.000 0.476 571 S N -1.647 114.225 115.700 0.287 0.000 2.615 571 S HA 0.831 5.305 4.470 0.007 0.000 0.268 571 S C -1.166 173.905 174.600 0.785 0.000 1.146 571 S CA -0.068 58.442 58.200 0.516 0.000 0.818 571 S CB 1.673 65.178 63.200 0.509 0.000 1.111 571 S HN 2.382 nan 8.310 nan 0.000 0.465 572 Y N -1.023 119.498 120.300 0.368 0.000 2.609 572 Y HA 0.935 5.489 4.550 0.007 0.000 0.342 572 Y C -0.774 175.011 175.900 -0.191 0.000 1.058 572 Y CA -1.231 57.049 58.100 0.300 0.000 1.055 572 Y CB 1.031 39.735 38.460 0.407 0.000 1.292 572 Y HN 1.118 nan 8.280 nan 0.000 0.476 573 A N 1.807 124.493 122.820 -0.224 0.000 2.273 573 A HA 0.390 4.714 4.320 0.007 0.000 0.315 573 A C 0.832 178.421 177.584 0.008 0.000 1.256 573 A CA -0.296 51.514 52.037 -0.379 0.000 0.851 573 A CB 0.152 18.882 19.000 -0.451 0.000 1.172 573 A HN 0.982 nan 8.150 nan 0.000 0.508 574 E N 2.425 122.605 120.200 -0.034 0.000 2.172 574 E HA -0.295 4.059 4.350 0.007 0.000 0.213 574 E C 1.197 177.887 176.600 0.150 0.000 1.051 574 E CA 2.037 58.519 56.400 0.136 0.000 0.860 574 E CB -0.285 29.442 29.700 0.044 0.000 0.755 574 E HN 0.553 nan 8.360 nan 0.000 0.462 575 V N 0.578 120.539 119.914 0.078 0.000 3.212 575 V HA -0.031 4.093 4.120 0.007 0.000 0.244 575 V C 0.912 177.063 176.094 0.095 0.000 1.151 575 V CA 1.091 63.442 62.300 0.086 0.000 1.119 575 V CB 0.355 32.208 31.823 0.049 0.000 0.838 575 V HN 0.052 nan 8.190 nan 0.000 0.470 576 D N 0.711 121.152 120.400 0.068 0.000 2.277 576 D HA 0.060 4.704 4.640 0.007 0.000 0.208 576 D C 1.294 177.676 176.300 0.136 0.000 0.962 576 D CA 0.495 54.544 54.000 0.083 0.000 0.865 576 D CB -0.033 40.800 40.800 0.054 0.000 0.939 576 D HN 0.406 nan 8.370 nan 0.000 0.510 577 S N -0.128 115.683 115.700 0.185 0.000 2.580 577 S HA 0.370 4.844 4.470 0.007 0.000 0.266 577 S C 0.483 175.160 174.600 0.128 0.000 1.354 577 S CA -0.234 58.082 58.200 0.193 0.000 1.008 577 S CB 0.817 64.231 63.200 0.358 0.000 0.898 577 S HN 0.345 nan 8.310 nan 0.000 0.555 578 S N -0.301 115.361 115.700 -0.063 0.000 2.611 578 S HA 0.299 4.773 4.470 0.007 0.000 0.270 578 S C 0.116 174.705 174.600 -0.018 0.000 1.131 578 S CA -0.921 57.322 58.200 0.072 0.000 0.826 578 S CB 0.642 63.922 63.200 0.134 0.000 1.095 578 S HN 0.590 nan 8.310 nan 0.000 0.461 579 E N 0.249 120.632 120.200 0.306 0.000 2.160 579 E HA -0.168 4.187 4.350 0.007 0.000 0.195 579 E C 1.673 178.363 176.600 0.150 0.000 0.991 579 E CA 1.423 58.020 56.400 0.329 0.000 0.810 579 E CB -0.182 29.681 29.700 0.273 0.000 0.742 579 E HN 0.630 nan 8.360 nan 0.000 0.466 580 M N 0.399 120.052 119.600 0.089 0.000 2.099 580 M HA -0.132 4.352 4.480 0.007 0.000 0.262 580 M C 2.326 178.581 176.300 -0.074 0.000 1.067 580 M CA 1.502 56.805 55.300 0.005 0.000 1.124 580 M CB -0.042 32.568 32.600 0.017 0.000 1.353 580 M HN 0.117 nan 8.290 nan 0.000 0.410 581 A N -0.039 122.779 122.820 -0.004 0.000 1.902 581 A HA -0.181 4.143 4.320 0.007 0.000 0.217 581 A C 1.764 179.235 177.584 -0.189 0.000 1.181 581 A CA 1.568 53.610 52.037 0.009 0.000 0.623 581 A CB -1.174 17.859 19.000 0.055 0.000 0.818 581 A HN 0.566 nan 8.150 nan 0.000 0.443 582 F N -0.023 119.867 119.950 -0.100 0.000 2.206 582 F HA -0.080 4.448 4.527 0.003 0.000 0.298 582 F C 2.369 178.129 175.800 -0.067 0.000 1.090 582 F CA 1.653 59.609 58.000 -0.074 0.000 1.323 582 F CB 0.002 38.950 39.000 -0.086 0.000 1.028 582 F HN 0.107 nan 8.300 nan 0.000 0.492 583 K N 1.171 121.615 120.400 0.073 0.000 1.991 583 K HA -0.200 4.125 4.320 0.007 0.000 0.212 583 K C 2.031 178.573 176.600 -0.097 0.000 1.049 583 K CA 1.856 58.140 56.287 -0.005 0.000 0.932 583 K CB -0.688 31.793 32.500 -0.032 0.000 0.717 583 K HN 0.263 nan 8.250 nan 0.000 0.441 584 I N 0.958 121.383 120.570 -0.241 0.000 2.286 584 I HA -0.243 3.931 4.170 0.007 0.000 0.248 584 I C 2.506 178.489 176.117 -0.223 0.000 1.115 584 I CA 1.055 62.138 61.300 -0.363 0.000 1.392 584 I CB -0.399 37.069 38.000 -0.887 0.000 1.065 584 I HN 0.190 nan 8.210 nan 0.000 0.418 585 A N 1.063 123.787 122.820 -0.160 0.000 1.933 585 A HA -0.122 4.203 4.320 0.007 0.000 0.218 585 A C 2.434 180.019 177.584 0.003 0.000 1.175 585 A CA 1.897 53.898 52.037 -0.060 0.000 0.628 585 A CB -1.275 17.659 19.000 -0.110 0.000 0.814 585 A HN 0.463 nan 8.150 nan 0.000 0.444 586 G N -1.094 107.722 108.800 0.026 0.000 2.402 586 G HA2 -0.139 3.826 3.960 0.007 0.000 0.216 586 G HA3 -0.139 3.826 3.960 0.007 0.000 0.216 586 G C 1.905 176.819 174.900 0.024 0.000 1.162 586 G CA 1.373 46.509 45.100 0.061 0.000 0.777 586 G HN 0.557 nan 8.290 nan 0.000 0.539 587 S N 0.069 115.755 115.700 -0.025 0.000 2.356 587 S HA -0.118 4.356 4.470 0.007 0.000 0.223 587 S C 2.523 177.108 174.600 -0.024 0.000 1.032 587 S CA 1.685 59.860 58.200 -0.041 0.000 1.005 587 S CB -0.303 62.847 63.200 -0.083 0.000 0.867 587 S HN 0.372 nan 8.310 nan 0.000 0.449 588 M N 0.961 120.546 119.600 -0.025 0.000 2.086 588 M HA -0.050 4.434 4.480 0.007 0.000 0.261 588 M C 2.556 178.867 176.300 0.018 0.000 1.067 588 M CA 1.534 56.832 55.300 -0.003 0.000 1.116 588 M CB -0.689 31.915 32.600 0.006 0.000 1.348 588 M HN 0.483 nan 8.290 nan 0.000 0.407 589 A N 0.372 123.212 122.820 0.033 0.000 1.917 589 A HA -0.198 4.126 4.320 0.007 0.000 0.219 589 A C 2.071 179.688 177.584 0.055 0.000 1.182 589 A CA 1.811 53.880 52.037 0.053 0.000 0.633 589 A CB -0.785 18.259 19.000 0.072 0.000 0.819 589 A HN 0.400 nan 8.150 nan 0.000 0.448 590 I N -0.545 120.055 120.570 0.050 0.000 2.353 590 I HA -0.132 4.042 4.170 0.007 0.000 0.248 590 I C 2.108 178.240 176.117 0.025 0.000 1.119 590 I CA 1.220 62.547 61.300 0.045 0.000 1.417 590 I CB -0.159 37.861 38.000 0.035 0.000 1.078 590 I HN 0.109 nan 8.210 nan 0.000 0.421 591 K N 0.077 120.484 120.400 0.013 0.000 2.057 591 K HA -0.220 4.104 4.320 0.007 0.000 0.207 591 K C 2.072 178.682 176.600 0.017 0.000 1.049 591 K CA 1.365 57.656 56.287 0.007 0.000 0.931 591 K CB -0.437 32.063 32.500 -0.000 0.000 0.714 591 K HN 0.274 nan 8.250 nan 0.000 0.440 592 E N 1.101 121.316 120.200 0.024 0.000 2.051 592 E HA -0.105 4.250 4.350 0.007 0.000 0.192 592 E C 1.814 178.435 176.600 0.035 0.000 0.991 592 E CA 1.572 57.989 56.400 0.029 0.000 0.799 592 E CB -0.257 29.464 29.700 0.035 0.000 0.748 592 E HN 0.224 nan 8.360 nan 0.000 0.449 593 A N 0.026 122.873 122.820 0.044 0.000 1.877 593 A HA -0.140 4.184 4.320 0.007 0.000 0.216 593 A C 2.529 180.138 177.584 0.041 0.000 1.186 593 A CA 1.767 53.834 52.037 0.051 0.000 0.620 593 A CB -0.800 18.240 19.000 0.068 0.000 0.822 593 A HN 0.208 nan 8.150 nan 0.000 0.443 594 V N 0.050 119.984 119.914 0.034 0.000 2.453 594 V HA -0.237 3.888 4.120 0.007 0.000 0.247 594 V C 2.667 178.774 176.094 0.022 0.000 1.048 594 V CA 2.048 64.364 62.300 0.027 0.000 1.049 594 V CB -0.639 31.195 31.823 0.019 0.000 0.672 594 V HN 0.737 nan 8.190 nan 0.000 0.457 595 Q N -0.319 119.493 119.800 0.020 0.000 2.172 595 Q HA -0.182 4.162 4.340 0.007 0.000 0.200 595 Q C 2.057 178.068 176.000 0.018 0.000 0.964 595 Q CA 1.031 56.844 55.803 0.017 0.000 0.855 595 Q CB 0.123 28.870 28.738 0.015 0.000 0.918 595 Q HN 0.402 nan 8.270 nan 0.000 0.444 596 K N -0.574 119.840 120.400 0.023 0.000 2.314 596 K HA 0.056 4.380 4.320 0.007 0.000 0.198 596 K C 1.433 178.047 176.600 0.023 0.000 1.045 596 K CA 0.794 57.095 56.287 0.023 0.000 0.988 596 K CB 0.063 32.580 32.500 0.029 0.000 0.783 596 K HN 0.206 nan 8.250 nan 0.000 0.484 597 G N 1.703 110.518 108.800 0.025 0.000 3.374 597 G HA2 -0.045 3.919 3.960 0.007 0.000 0.252 597 G HA3 -0.045 3.919 3.960 0.007 0.000 0.252 597 G C -0.661 174.251 174.900 0.019 0.000 1.326 597 G CA -0.292 44.822 45.100 0.023 0.000 1.133 597 G HN 0.154 nan 8.290 nan 0.000 0.528 598 D N 0.310 120.720 120.400 0.016 0.000 2.737 598 D HA -0.111 4.534 4.640 0.007 0.000 0.238 598 D C -1.992 174.315 176.300 0.013 0.000 1.157 598 D CA 0.735 54.743 54.000 0.013 0.000 0.694 598 D CB -0.483 40.324 40.800 0.012 0.000 1.021 598 D HN 0.366 nan 8.370 nan 0.000 0.420 599 P HA 0.144 nan 4.420 nan 0.000 0.269 599 P C -0.126 177.178 177.300 0.007 0.000 1.217 599 P CA -0.233 62.874 63.100 0.012 0.000 0.783 599 P CB 1.434 33.141 31.700 0.012 0.000 0.898 600 V N 3.490 123.407 119.914 0.006 0.000 2.888 600 V HA 0.357 4.481 4.120 0.007 0.000 0.309 600 V C -0.109 175.984 176.094 -0.003 0.000 1.114 600 V CA -1.156 61.145 62.300 0.002 0.000 0.940 600 V CB 1.960 33.789 31.823 0.010 0.000 1.021 600 V HN 0.333 nan 8.190 nan 0.000 0.426 601 I N 6.170 126.727 120.570 -0.022 0.000 2.575 601 I HA 0.322 4.497 4.170 0.007 0.000 0.285 601 I C -0.480 175.646 176.117 0.016 0.000 1.085 601 I CA -0.118 61.158 61.300 -0.040 0.000 1.403 601 I CB 0.889 38.803 38.000 -0.143 0.000 1.409 601 I HN 0.341 nan 8.210 nan 0.000 0.557 602 L N 6.371 127.631 121.223 0.063 0.000 2.333 602 L HA 0.434 4.778 4.340 0.007 0.000 0.280 602 L C -0.168 176.918 176.870 0.359 0.000 1.004 602 L CA -0.552 54.383 54.840 0.158 0.000 0.820 602 L CB 1.619 43.721 42.059 0.072 0.000 1.247 602 L HN 0.665 nan 8.230 nan 0.000 0.416 603 E N 4.529 124.967 120.200 0.396 0.000 2.244 603 E HA 0.584 4.938 4.350 0.007 0.000 0.266 603 E C -2.796 173.901 176.600 0.161 0.000 0.914 603 E CA -2.370 54.260 56.400 0.382 0.000 0.794 603 E CB 2.210 32.120 29.700 0.350 0.000 1.210 603 E HN 0.181 nan 8.360 nan 0.000 0.414 604 P HA 0.152 nan 4.420 nan 0.000 0.276 604 P C -0.554 176.592 177.300 -0.256 0.000 1.230 604 P CA -0.308 62.571 63.100 -0.368 0.000 0.776 604 P CB 0.661 32.133 31.700 -0.380 0.000 0.888 605 I N 4.594 124.917 120.570 -0.412 0.000 2.355 605 I HA 0.294 4.468 4.170 0.007 0.000 0.288 605 I C 0.737 176.642 176.117 -0.354 0.000 0.999 605 I CA -0.987 60.023 61.300 -0.483 0.000 1.163 605 I CB 0.841 38.253 38.000 -0.979 0.000 1.316 605 I HN 0.246 nan 8.210 nan 0.000 0.454 606 M N 5.604 125.116 119.600 -0.147 0.000 2.274 606 M HA 0.348 4.832 4.480 0.007 0.000 0.344 606 M C 0.284 176.640 176.300 0.093 0.000 1.161 606 M CA -0.386 54.893 55.300 -0.036 0.000 1.126 606 M CB 0.469 33.035 32.600 -0.057 0.000 1.522 606 M HN 0.410 nan 8.290 nan 0.000 0.461 607 R N 1.318 121.895 120.500 0.127 0.000 2.207 607 R HA 0.582 4.927 4.340 0.007 0.000 0.334 607 R C -1.647 174.670 176.300 0.027 0.000 1.013 607 R CA -0.293 55.887 56.100 0.133 0.000 0.858 607 R CB 0.659 31.083 30.300 0.206 0.000 1.094 607 R HN 0.549 nan 8.270 nan 0.000 0.457 608 V N 4.462 124.359 119.914 -0.029 0.000 2.409 608 V HA 0.258 4.383 4.120 0.007 0.000 0.291 608 V C -0.418 175.679 176.094 0.005 0.000 1.020 608 V CA -0.683 61.604 62.300 -0.021 0.000 0.848 608 V CB 1.713 33.488 31.823 -0.080 0.000 0.990 608 V HN 0.794 nan 8.190 nan 0.000 0.430 609 E N 3.355 123.592 120.200 0.061 0.000 2.073 609 E HA 0.432 4.786 4.350 0.007 0.000 0.269 609 E C -1.113 175.580 176.600 0.154 0.000 0.917 609 E CA -0.339 56.108 56.400 0.079 0.000 0.757 609 E CB 1.870 31.621 29.700 0.085 0.000 1.111 609 E HN 0.488 nan 8.360 nan 0.000 0.410 610 V N 4.139 124.136 119.914 0.139 0.000 2.304 610 V HA 0.141 4.265 4.120 0.007 0.000 0.269 610 V C 0.136 176.314 176.094 0.141 0.000 1.036 610 V CA -0.493 61.922 62.300 0.192 0.000 0.840 610 V CB 1.167 33.085 31.823 0.159 0.000 1.036 610 V HN 0.632 nan 8.190 nan 0.000 0.466 611 T N 4.153 118.795 114.554 0.147 0.000 2.761 611 T HA 0.427 4.781 4.350 0.007 0.000 0.296 611 T C 0.228 175.002 174.700 0.124 0.000 0.934 611 T CA 0.228 62.398 62.100 0.116 0.000 1.091 611 T CB 0.941 69.873 68.868 0.107 0.000 0.896 611 T HN 0.787 nan 8.240 nan 0.000 0.515 612 T N 3.764 118.389 114.554 0.119 0.000 2.883 612 T HA 0.551 4.905 4.350 0.007 0.000 0.301 612 T C -2.919 171.874 174.700 0.155 0.000 1.158 612 T CA -2.233 59.956 62.100 0.148 0.000 1.007 612 T CB 1.532 70.497 68.868 0.161 0.000 1.186 612 T HN 0.120 nan 8.240 nan 0.000 0.499 613 P HA 0.204 nan 4.420 nan 0.000 0.271 613 P C 0.902 178.224 177.300 0.036 0.000 1.218 613 P CA -0.133 63.045 63.100 0.130 0.000 0.780 613 P CB 0.511 32.328 31.700 0.194 0.000 0.901 614 E N 2.886 123.069 120.200 -0.028 0.000 2.068 614 E HA -0.301 4.053 4.350 0.007 0.000 0.207 614 E C 1.599 178.129 176.600 -0.117 0.000 1.032 614 E CA 2.067 58.436 56.400 -0.052 0.000 0.839 614 E CB -0.235 29.431 29.700 -0.056 0.000 0.758 614 E HN 0.615 nan 8.360 nan 0.000 0.457 615 E N -0.058 119.986 120.200 -0.258 0.000 2.082 615 E HA -0.240 4.114 4.350 0.007 0.000 0.215 615 E C 0.686 177.102 176.600 -0.306 0.000 1.048 615 E CA 1.552 57.729 56.400 -0.371 0.000 0.869 615 E CB -1.155 28.172 29.700 -0.622 0.000 0.773 615 E HN 0.393 nan 8.360 nan 0.000 0.466 616 Y N 0.832 121.134 120.300 0.003 0.000 2.568 616 Y HA 0.167 4.721 4.550 0.007 0.000 0.338 616 Y C 1.227 177.132 175.900 0.008 0.000 1.245 616 Y CA -0.507 57.595 58.100 0.004 0.000 1.667 616 Y CB 0.130 38.592 38.460 0.002 0.000 1.568 616 Y HN 0.136 nan 8.280 nan 0.000 0.471 617 M N 1.280 120.934 119.600 0.089 0.000 2.935 617 M HA 0.241 4.725 4.480 0.007 0.000 0.213 617 M C 2.118 178.453 176.300 0.059 0.000 1.427 617 M CA 1.143 56.480 55.300 0.062 0.000 1.367 617 M CB -0.645 31.968 32.600 0.023 0.000 1.038 617 M HN 0.641 nan 8.290 nan 0.000 0.547 618 G N 0.487 109.312 108.800 0.041 0.000 2.625 618 G HA2 -0.143 3.821 3.960 0.007 0.000 0.214 618 G HA3 -0.143 3.821 3.960 0.007 0.000 0.214 618 G C 0.608 175.535 174.900 0.045 0.000 1.132 618 G CA 0.787 45.909 45.100 0.036 0.000 0.782 618 G HN 0.522 nan 8.290 nan 0.000 0.538 619 D N 0.569 121.009 120.400 0.066 0.000 2.103 619 D HA -0.078 4.566 4.640 0.007 0.000 0.199 619 D C 2.517 178.854 176.300 0.062 0.000 0.978 619 D CA 0.464 54.508 54.000 0.073 0.000 0.829 619 D CB -0.455 40.418 40.800 0.121 0.000 0.981 619 D HN 0.200 nan 8.370 nan 0.000 0.464 620 V N 1.173 121.131 119.914 0.073 0.000 2.719 620 V HA -0.086 4.038 4.120 0.007 0.000 0.252 620 V C 2.179 178.307 176.094 0.058 0.000 1.065 620 V CA 0.615 62.954 62.300 0.065 0.000 1.086 620 V CB -0.131 31.738 31.823 0.076 0.000 0.700 620 V HN 0.188 nan 8.190 nan 0.000 0.467 621 I N 1.042 121.640 120.570 0.046 0.000 2.493 621 I HA -0.099 4.075 4.170 0.007 0.000 0.254 621 I C 2.436 178.566 176.117 0.023 0.000 1.160 621 I CA 1.786 63.104 61.300 0.029 0.000 1.445 621 I CB -1.452 36.563 38.000 0.025 0.000 1.086 621 I HN 0.399 nan 8.210 nan 0.000 0.433 622 G N 0.181 108.998 108.800 0.028 0.000 2.453 622 G HA2 -0.211 3.754 3.960 0.007 0.000 0.215 622 G HA3 -0.211 3.754 3.960 0.007 0.000 0.215 622 G C 1.439 176.352 174.900 0.022 0.000 1.147 622 G CA 0.407 45.521 45.100 0.022 0.000 0.802 622 G HN 0.381 nan 8.290 nan 0.000 0.535 623 D N 0.803 121.223 120.400 0.034 0.000 2.097 623 D HA -0.081 4.563 4.640 0.007 0.000 0.197 623 D C 2.497 178.809 176.300 0.021 0.000 0.984 623 D CA 0.601 54.627 54.000 0.045 0.000 0.826 623 D CB -0.065 40.784 40.800 0.082 0.000 0.973 623 D HN 0.297 nan 8.370 nan 0.000 0.460 624 L N 0.544 121.769 121.223 0.003 0.000 2.127 624 L HA -0.157 4.187 4.340 0.007 0.000 0.211 624 L C 2.180 179.023 176.870 -0.045 0.000 1.089 624 L CA 1.063 55.865 54.840 -0.063 0.000 0.757 624 L CB -0.456 41.562 42.059 -0.067 0.000 0.899 624 L HN 0.094 nan 8.230 nan 0.000 0.434 625 N N -0.446 118.245 118.700 -0.015 0.000 2.331 625 N HA -0.084 4.660 4.740 0.007 0.000 0.180 625 N C 1.891 177.398 175.510 -0.005 0.000 1.019 625 N CA 0.743 53.790 53.050 -0.006 0.000 0.881 625 N CB -0.049 38.440 38.487 0.004 0.000 0.972 625 N HN 0.297 nan 8.380 nan 0.000 0.435 626 A N 1.441 124.259 122.820 -0.003 0.000 1.968 626 A HA -0.005 4.319 4.320 0.007 0.000 0.217 626 A C 1.688 179.268 177.584 -0.007 0.000 1.169 626 A CA 0.811 52.849 52.037 0.002 0.000 0.638 626 A CB 0.039 19.046 19.000 0.012 0.000 0.812 626 A HN 0.128 nan 8.150 nan 0.000 0.446 627 R N -0.346 120.137 120.500 -0.029 0.000 2.391 627 R HA 0.119 4.463 4.340 0.007 0.000 0.225 627 R C -0.235 176.036 176.300 -0.049 0.000 1.079 627 R CA 0.142 56.209 56.100 -0.055 0.000 1.147 627 R CB -0.604 29.619 30.300 -0.129 0.000 1.103 627 R HN 0.558 nan 8.270 nan 0.000 0.499 628 R N -0.621 119.865 120.500 -0.023 0.000 3.531 628 R HA -0.146 4.198 4.340 0.007 0.000 0.280 628 R C 0.529 176.822 176.300 -0.012 0.000 1.130 628 R CA 0.640 56.733 56.100 -0.012 0.000 0.757 628 R CB -1.954 28.341 30.300 -0.007 0.000 1.218 628 R HN 0.416 nan 8.270 nan 0.000 0.454 629 G N 0.138 108.927 108.800 -0.018 0.000 2.535 629 G HA2 0.402 4.366 3.960 0.007 0.000 0.303 629 G HA3 0.402 4.366 3.960 0.007 0.000 0.303 629 G C -0.681 174.238 174.900 0.032 0.000 1.237 629 G CA -0.330 44.768 45.100 -0.004 0.000 0.986 629 G HN 0.152 nan 8.290 nan 0.000 0.494 630 Q N -0.200 119.640 119.800 0.066 0.000 2.374 630 Q HA 0.348 4.692 4.340 0.007 0.000 0.250 630 Q C -1.271 174.753 176.000 0.040 0.000 0.918 630 Q CA -0.738 55.114 55.803 0.080 0.000 0.778 630 Q CB 1.305 30.138 28.738 0.158 0.000 1.328 630 Q HN 0.333 nan 8.270 nan 0.000 0.445 631 I N 4.157 124.730 120.570 0.004 0.000 2.648 631 I HA -0.040 4.134 4.170 0.007 0.000 0.284 631 I C 0.659 176.750 176.117 -0.043 0.000 1.153 631 I CA 0.589 61.871 61.300 -0.030 0.000 1.426 631 I CB 0.833 38.822 38.000 -0.017 0.000 1.381 631 I HN 0.759 nan 8.210 nan 0.000 0.571 632 L N 5.183 126.348 121.223 -0.096 0.000 2.766 632 L HA 0.542 4.886 4.340 0.007 0.000 0.242 632 L C 0.728 177.556 176.870 -0.070 0.000 1.136 632 L CA -0.095 54.683 54.840 -0.104 0.000 0.933 632 L CB -0.464 41.459 42.059 -0.226 0.000 1.241 632 L HN 0.888 nan 8.230 nan 0.000 0.522 633 G N 1.396 110.165 108.800 -0.052 0.000 2.334 633 G HA2 0.165 4.129 3.960 0.007 0.000 0.566 633 G HA3 0.165 4.129 3.960 0.007 0.000 0.566 633 G C -1.239 173.645 174.900 -0.026 0.000 1.413 633 G CA -0.781 44.300 45.100 -0.033 0.000 0.993 633 G HN -0.065 nan 8.290 nan 0.000 0.642 634 M N 0.174 119.766 119.600 -0.013 0.000 2.124 634 M HA 0.708 5.192 4.480 0.007 0.000 0.280 634 M C -0.919 175.381 176.300 -0.001 0.000 0.954 634 M CA -0.741 54.556 55.300 -0.004 0.000 0.958 634 M CB 1.704 34.307 32.600 0.004 0.000 1.611 634 M HN 0.704 nan 8.290 nan 0.000 0.449 635 E N 5.797 125.996 120.200 -0.001 0.000 2.145 635 E HA 0.534 4.888 4.350 0.007 0.000 0.262 635 E C -2.532 174.072 176.600 0.007 0.000 0.883 635 E CA -1.726 54.674 56.400 0.000 0.000 0.748 635 E CB 2.089 31.786 29.700 -0.006 0.000 1.140 635 E HN 0.441 nan 8.360 nan 0.000 0.417 636 P HA -0.037 nan 4.420 nan 0.000 0.267 636 P C -0.923 176.390 177.300 0.021 0.000 1.200 636 P CA 0.072 63.183 63.100 0.019 0.000 0.772 636 P CB 0.662 32.373 31.700 0.018 0.000 0.855 637 R N 1.482 122.002 120.500 0.033 0.000 2.502 637 R HA 0.476 4.820 4.340 0.007 0.000 0.298 637 R C 0.551 176.891 176.300 0.067 0.000 1.018 637 R CA 0.195 56.318 56.100 0.039 0.000 0.899 637 R CB 0.932 31.253 30.300 0.035 0.000 1.181 637 R HN 0.834 nan 8.270 nan 0.000 0.444 638 G N 3.844 112.689 108.800 0.076 0.000 2.582 638 G HA2 -0.424 3.540 3.960 0.007 0.000 0.288 638 G HA3 -0.424 3.540 3.960 0.007 0.000 0.288 638 G C 0.238 175.184 174.900 0.077 0.000 1.247 638 G CA 0.461 45.627 45.100 0.109 0.000 0.972 638 G HN 0.804 nan 8.290 nan 0.000 0.557 639 N N 1.794 120.538 118.700 0.073 0.000 2.313 639 N HA 0.504 5.248 4.740 0.007 0.000 0.207 639 N C 0.427 175.956 175.510 0.033 0.000 1.141 639 N CA 1.240 54.312 53.050 0.038 0.000 0.830 639 N CB 0.104 38.600 38.487 0.015 0.000 1.008 639 N HN 1.384 nan 8.380 nan 0.000 0.481 640 A N -0.162 122.690 122.820 0.053 0.000 2.346 640 A HA 0.637 4.961 4.320 0.007 0.000 0.313 640 A C -0.867 176.748 177.584 0.051 0.000 1.140 640 A CA -0.595 51.475 52.037 0.055 0.000 0.826 640 A CB 1.380 20.427 19.000 0.080 0.000 1.332 640 A HN 0.183 nan 8.150 nan 0.000 0.457 641 Q N 0.219 120.051 119.800 0.054 0.000 2.325 641 Q HA 0.538 4.882 4.340 0.007 0.000 0.262 641 Q C -1.331 174.703 176.000 0.056 0.000 0.968 641 Q CA -0.119 55.712 55.803 0.046 0.000 0.877 641 Q CB 1.541 30.303 28.738 0.039 0.000 1.253 641 Q HN 0.444 nan 8.270 nan 0.000 0.448 642 V N 6.231 126.172 119.914 0.044 0.000 2.348 642 V HA 0.374 4.498 4.120 0.007 0.000 0.270 642 V C -0.030 176.084 176.094 0.033 0.000 1.037 642 V CA -0.425 61.903 62.300 0.046 0.000 0.872 642 V CB 0.636 32.481 31.823 0.036 0.000 1.002 642 V HN 0.709 nan 8.190 nan 0.000 0.464 643 I N 5.854 126.448 120.570 0.040 0.000 2.331 643 I HA 0.457 4.631 4.170 0.007 0.000 0.292 643 I C 0.506 176.623 176.117 0.001 0.000 0.998 643 I CA -0.386 60.926 61.300 0.019 0.000 1.267 643 I CB 0.936 38.952 38.000 0.026 0.000 1.386 643 I HN 0.456 nan 8.210 nan 0.000 0.476 644 R N 4.849 125.329 120.500 -0.032 0.000 2.407 644 R HA 0.856 5.200 4.340 0.007 0.000 0.303 644 R C -0.684 175.539 176.300 -0.128 0.000 0.981 644 R CA -0.491 55.563 56.100 -0.075 0.000 0.905 644 R CB 1.951 32.196 30.300 -0.092 0.000 1.099 644 R HN 0.808 nan 8.270 nan 0.000 0.459 645 A N 2.277 124.989 122.820 -0.180 0.000 2.586 645 A HA 0.610 4.934 4.320 0.007 0.000 0.290 645 A C -1.875 175.567 177.584 -0.236 0.000 1.086 645 A CA -0.710 51.206 52.037 -0.202 0.000 0.665 645 A CB 1.041 19.983 19.000 -0.097 0.000 1.279 645 A HN 0.463 nan 8.150 nan 0.000 0.423 646 F N 0.447 120.378 119.950 -0.031 0.000 2.427 646 F HA 0.624 5.156 4.527 0.007 0.000 0.346 646 F C 0.224 175.973 175.800 -0.084 0.000 1.120 646 F CA -0.730 57.248 58.000 -0.037 0.000 1.033 646 F CB 2.002 41.015 39.000 0.021 0.000 1.126 646 F HN 0.591 nan 8.300 nan 0.000 0.462 647 V N 6.055 126.021 119.914 0.087 0.000 2.808 647 V HA 0.671 4.795 4.120 0.007 0.000 0.308 647 V C -2.691 173.341 176.094 -0.103 0.000 1.099 647 V CA -2.533 59.734 62.300 -0.056 0.000 0.920 647 V CB 2.618 34.334 31.823 -0.178 0.000 1.014 647 V HN 0.493 nan 8.190 nan 0.000 0.425 648 P HA 0.113 nan 4.420 nan 0.000 0.271 648 P C 0.803 177.996 177.300 -0.178 0.000 1.226 648 P CA -0.052 62.969 63.100 -0.131 0.000 0.765 648 P CB 1.577 33.232 31.700 -0.075 0.000 0.835 649 L N 5.168 126.265 121.223 -0.210 0.000 2.051 649 L HA -0.261 4.084 4.340 0.007 0.000 0.214 649 L C 2.382 178.994 176.870 -0.430 0.000 1.076 649 L CA 2.606 57.267 54.840 -0.299 0.000 0.758 649 L CB -1.375 40.522 42.059 -0.270 0.000 0.890 649 L HN 0.472 nan 8.230 nan 0.000 0.433 650 A N -1.339 121.318 122.820 -0.271 0.000 2.186 650 A HA -0.159 4.165 4.320 0.007 0.000 0.219 650 A C 1.867 179.387 177.584 -0.105 0.000 1.159 650 A CA 1.695 53.652 52.037 -0.133 0.000 0.680 650 A CB -0.475 18.590 19.000 0.108 0.000 0.787 650 A HN 0.603 nan 8.150 nan 0.000 0.467 651 E N -1.137 118.958 120.200 -0.175 0.000 2.476 651 E HA 0.139 4.493 4.350 0.007 0.000 0.196 651 E C 0.584 177.064 176.600 -0.199 0.000 1.029 651 E CA 0.040 56.368 56.400 -0.120 0.000 0.896 651 E CB 0.283 29.919 29.700 -0.107 0.000 1.012 651 E HN 0.509 nan 8.360 nan 0.000 0.475 652 M N -0.086 119.303 119.600 -0.351 0.000 2.356 652 M HA 0.194 4.678 4.480 0.007 0.000 0.262 652 M C -0.138 176.068 176.300 -0.158 0.000 1.097 652 M CA -0.244 54.873 55.300 -0.305 0.000 0.991 652 M CB -0.435 31.958 32.600 -0.345 0.000 1.450 652 M HN -0.123 nan 8.290 nan 0.000 0.495 653 F N 1.755 121.724 119.950 0.032 0.000 2.533 653 F HA 0.416 4.947 4.527 0.007 0.000 0.378 653 F C 1.648 177.489 175.800 0.067 0.000 1.070 653 F CA 0.453 58.482 58.000 0.048 0.000 1.172 653 F CB -0.305 38.713 39.000 0.030 0.000 1.085 653 F HN 0.570 nan 8.300 nan 0.000 0.552 654 G N 2.894 111.855 108.800 0.269 0.000 2.198 654 G HA2 -0.390 3.574 3.960 0.007 0.000 0.257 654 G HA3 -0.390 3.574 3.960 0.007 0.000 0.257 654 G C 0.644 175.631 174.900 0.144 0.000 1.042 654 G CA 0.342 45.544 45.100 0.170 0.000 0.791 654 G HN 0.714 nan 8.290 nan 0.000 0.502 655 Y N 0.461 120.766 120.300 0.009 0.000 2.243 655 Y HA 0.233 4.787 4.550 0.007 0.000 0.293 655 Y C 2.746 178.614 175.900 -0.054 0.000 1.124 655 Y CA 1.957 59.996 58.100 -0.101 0.000 1.159 655 Y CB -0.598 37.692 38.460 -0.282 0.000 1.008 655 Y HN 0.507 nan 8.280 nan 0.000 0.527 656 A N -0.248 122.613 122.820 0.068 0.000 1.927 656 A HA -0.332 3.992 4.320 0.007 0.000 0.220 656 A C 2.361 179.909 177.584 -0.061 0.000 1.185 656 A CA 3.175 55.276 52.037 0.107 0.000 0.639 656 A CB -1.645 17.475 19.000 0.200 0.000 0.820 656 A HN 0.632 nan 8.150 nan 0.000 0.451 657 T N -2.446 112.080 114.554 -0.046 0.000 2.732 657 T HA -0.144 4.210 4.350 0.007 0.000 0.261 657 T C 1.478 176.106 174.700 -0.120 0.000 1.040 657 T CA 1.647 63.715 62.100 -0.054 0.000 1.145 657 T CB -0.600 68.262 68.868 -0.011 0.000 0.866 657 T HN 0.333 nan 8.240 nan 0.000 0.427 658 D N 1.060 121.368 120.400 -0.153 0.000 2.182 658 D HA -0.009 4.635 4.640 0.007 0.000 0.201 658 D C 2.063 178.190 176.300 -0.289 0.000 0.986 658 D CA 0.543 54.440 54.000 -0.171 0.000 0.847 658 D CB -0.490 40.249 40.800 -0.102 0.000 0.942 658 D HN 0.337 nan 8.370 nan 0.000 0.467 659 L N 0.828 121.740 121.223 -0.518 0.000 1.948 659 L HA -0.194 4.150 4.340 0.007 0.000 0.212 659 L C 2.551 179.255 176.870 -0.276 0.000 1.074 659 L CA 1.572 56.102 54.840 -0.518 0.000 0.753 659 L CB -0.250 41.423 42.059 -0.644 0.000 0.888 659 L HN 0.019 nan 8.230 nan 0.000 0.432 660 R N -0.758 119.622 120.500 -0.199 0.000 2.211 660 R HA -0.193 4.151 4.340 0.007 0.000 0.240 660 R C 2.070 178.279 176.300 -0.153 0.000 1.144 660 R CA 1.751 57.766 56.100 -0.142 0.000 0.992 660 R CB -0.475 29.783 30.300 -0.071 0.000 0.869 660 R HN 0.296 nan 8.270 nan 0.000 0.462 661 S N -0.227 115.384 115.700 -0.148 0.000 2.453 661 S HA 0.020 4.494 4.470 0.007 0.000 0.231 661 S C 1.204 175.721 174.600 -0.138 0.000 1.005 661 S CA 0.804 58.934 58.200 -0.117 0.000 0.949 661 S CB 0.143 63.289 63.200 -0.090 0.000 0.774 661 S HN 0.532 nan 8.310 nan 0.000 0.510 662 K N -0.125 120.163 120.400 -0.187 0.000 2.425 662 K HA 0.119 4.443 4.320 0.007 0.000 0.201 662 K C 0.919 177.277 176.600 -0.403 0.000 1.128 662 K CA 0.741 56.912 56.287 -0.193 0.000 1.000 662 K CB 0.624 33.055 32.500 -0.114 0.000 0.961 662 K HN 0.412 nan 8.250 nan 0.000 0.555 663 T N -1.321 112.919 114.554 -0.523 0.000 3.214 663 T HA 0.061 4.415 4.350 0.007 0.000 0.264 663 T C 0.261 174.381 174.700 -0.966 0.000 1.012 663 T CA -0.350 61.142 62.100 -1.015 0.000 0.901 663 T CB 0.213 68.822 68.868 -0.431 0.000 1.070 663 T HN -0.012 nan 8.240 nan 0.000 0.561 664 Q N 1.051 120.480 119.800 -0.617 0.000 2.423 664 Q HA -0.182 4.162 4.340 0.007 0.000 0.332 664 Q C 1.317 177.213 176.000 -0.174 0.000 1.355 664 Q CA 1.133 56.764 55.803 -0.287 0.000 0.947 664 Q CB -2.003 26.645 28.738 -0.149 0.000 1.189 664 Q HN 1.231 nan 8.270 nan 0.000 0.418 665 G N -0.501 108.206 108.800 -0.155 0.000 2.196 665 G HA2 -0.423 3.541 3.960 0.007 0.000 0.268 665 G HA3 -0.423 3.541 3.960 0.007 0.000 0.268 665 G C 0.826 175.706 174.900 -0.033 0.000 0.975 665 G CA 0.767 45.825 45.100 -0.070 0.000 0.648 665 G HN 0.567 nan 8.290 nan 0.000 0.538 666 R N 0.425 120.892 120.500 -0.056 0.000 2.223 666 R HA 0.271 4.615 4.340 0.007 0.000 0.198 666 R C 1.931 178.257 176.300 0.044 0.000 0.984 666 R CA 0.424 56.539 56.100 0.026 0.000 1.018 666 R CB 0.092 30.449 30.300 0.096 0.000 0.945 666 R HN 0.385 nan 8.270 nan 0.000 0.479 667 G N 0.579 109.375 108.800 -0.006 0.000 2.634 667 G HA2 0.299 4.263 3.960 0.007 0.000 0.255 667 G HA3 0.299 4.263 3.960 0.007 0.000 0.255 667 G C -0.211 174.735 174.900 0.077 0.000 1.205 667 G CA -0.020 45.103 45.100 0.039 0.000 0.884 667 G HN 0.279 nan 8.290 nan 0.000 0.549 668 S N -1.396 114.387 115.700 0.139 0.000 2.703 668 S HA 0.802 5.276 4.470 0.007 0.000 0.273 668 S C -1.072 173.728 174.600 0.333 0.000 1.178 668 S CA -0.562 57.756 58.200 0.197 0.000 0.838 668 S CB 1.674 64.941 63.200 0.112 0.000 1.178 668 S HN 2.109 nan 8.310 nan 0.000 0.494 669 F N -1.188 118.790 119.950 0.046 0.000 2.769 669 F HA 0.735 5.266 4.527 0.007 0.000 0.313 669 F C -1.458 174.338 175.800 -0.006 0.000 1.146 669 F CA -0.805 57.220 58.000 0.043 0.000 0.934 669 F CB 0.453 39.517 39.000 0.107 0.000 1.283 669 F HN 0.935 nan 8.300 nan 0.000 0.443 670 V N 1.031 120.831 119.914 -0.189 0.000 3.103 670 V HA 0.900 5.024 4.120 0.007 0.000 0.318 670 V C -0.809 175.049 176.094 -0.394 0.000 1.114 670 V CA -0.901 61.144 62.300 -0.426 0.000 1.020 670 V CB 1.946 33.608 31.823 -0.268 0.000 1.085 670 V HN 1.344 nan 8.190 nan 0.000 0.446 671 M N 2.506 121.623 119.600 -0.806 0.000 2.325 671 M HA 0.710 5.195 4.480 0.007 0.000 0.285 671 M C -2.607 173.175 176.300 -0.864 0.000 1.119 671 M CA -0.156 54.789 55.300 -0.591 0.000 0.959 671 M CB 2.021 34.583 32.600 -0.064 0.000 1.737 671 M HN 0.747 nan 8.290 nan 0.000 0.486 672 F N 3.140 123.136 119.950 0.075 0.000 2.599 672 F HA 0.564 5.095 4.527 0.007 0.000 0.311 672 F C -0.683 175.177 175.800 0.100 0.000 1.076 672 F CA -0.895 57.157 58.000 0.086 0.000 0.937 672 F CB 1.280 40.325 39.000 0.075 0.000 1.282 672 F HN 0.487 nan 8.300 nan 0.000 0.460 673 F N 2.439 122.498 119.950 0.182 0.000 2.529 673 F HA 0.166 4.697 4.527 0.008 0.000 0.365 673 F C 0.842 176.709 175.800 0.112 0.000 1.102 673 F CA 0.368 58.399 58.000 0.052 0.000 1.271 673 F CB 0.485 39.481 39.000 -0.007 0.000 1.120 673 F HN 0.615 nan 8.300 nan 0.000 0.579 674 D N 2.370 122.249 120.400 -0.869 0.000 3.084 674 D HA 0.015 4.660 4.640 0.007 0.000 0.294 674 D C -0.311 175.501 176.300 -0.813 0.000 1.165 674 D CA 0.698 54.410 54.000 -0.481 0.000 1.008 674 D CB 0.400 41.278 40.800 0.130 0.000 1.266 674 D HN 0.709 nan 8.370 nan 0.000 0.449 675 H N -2.334 116.023 119.070 -1.188 0.000 2.981 675 H HA 0.272 4.832 4.556 0.007 0.000 0.327 675 H C -1.658 173.462 175.328 -0.346 0.000 1.342 675 H CA -0.700 54.947 56.048 -0.668 0.000 1.123 675 H CB 0.064 29.627 29.762 -0.332 0.000 1.851 675 H HN -0.102 nan 8.280 nan 0.000 0.531 676 Y N 0.456 120.842 120.300 0.144 0.000 2.320 676 Y HA 0.388 4.942 4.550 0.007 0.000 0.324 676 Y C 0.370 176.304 175.900 0.057 0.000 1.190 676 Y CA 0.150 58.337 58.100 0.145 0.000 1.215 676 Y CB 1.829 40.417 38.460 0.213 0.000 1.221 676 Y HN 0.653 nan 8.280 nan 0.000 0.486 677 Q N 1.260 121.177 119.800 0.194 0.000 2.456 677 Q HA 0.340 4.684 4.340 0.007 0.000 0.283 677 Q C -1.654 174.422 176.000 0.127 0.000 1.084 677 Q CA -0.808 55.070 55.803 0.125 0.000 0.801 677 Q CB 1.563 30.306 28.738 0.009 0.000 1.434 677 Q HN 0.626 nan 8.270 nan 0.000 0.419 678 E N 1.126 121.380 120.200 0.089 0.000 2.290 678 E HA 0.274 4.628 4.350 0.007 0.000 0.277 678 E C -0.223 176.407 176.600 0.050 0.000 1.035 678 E CA -0.483 55.957 56.400 0.066 0.000 0.873 678 E CB 0.839 30.566 29.700 0.045 0.000 1.029 678 E HN 0.507 nan 8.360 nan 0.000 0.419 679 V N 1.254 121.194 119.914 0.044 0.000 2.715 679 V HA 0.190 4.315 4.120 0.007 0.000 0.299 679 V C -2.231 173.870 176.094 0.011 0.000 1.054 679 V CA -1.922 60.395 62.300 0.028 0.000 1.077 679 V CB 0.036 31.860 31.823 0.001 0.000 0.972 679 V HN 0.488 nan 8.190 nan 0.000 0.484 680 P HA 0.042 nan 4.420 nan 0.000 0.267 680 P C 0.831 178.131 177.300 0.000 0.000 1.201 680 P CA 0.041 63.145 63.100 0.007 0.000 0.775 680 P CB 0.434 32.139 31.700 0.009 0.000 0.854 681 K N 2.147 122.548 120.400 0.001 0.000 2.052 681 K HA -0.362 3.963 4.320 0.007 0.000 0.215 681 K C 1.862 178.459 176.600 -0.005 0.000 1.053 681 K CA 2.063 58.349 56.287 -0.002 0.000 0.934 681 K CB -0.286 32.214 32.500 0.001 0.000 0.717 681 K HN 0.280 nan 8.250 nan 0.000 0.450 682 Q N 0.551 120.350 119.800 -0.002 0.000 2.030 682 Q HA -0.129 4.215 4.340 0.007 0.000 0.204 682 Q C 2.009 178.005 176.000 -0.006 0.000 0.986 682 Q CA 2.078 57.880 55.803 -0.002 0.000 0.843 682 Q CB -0.365 28.374 28.738 0.003 0.000 0.904 682 Q HN 0.274 nan 8.270 nan 0.000 0.420 683 V N 0.597 120.507 119.914 -0.006 0.000 2.324 683 V HA -0.341 3.783 4.120 0.007 0.000 0.250 683 V C 2.413 178.482 176.094 -0.041 0.000 1.060 683 V CA 2.328 64.620 62.300 -0.013 0.000 1.042 683 V CB -0.739 31.082 31.823 -0.004 0.000 0.650 683 V HN 0.508 nan 8.190 nan 0.000 0.450 684 Q N 0.101 119.876 119.800 -0.043 0.000 2.002 684 Q HA -0.280 4.065 4.340 0.007 0.000 0.204 684 Q C 2.227 178.197 176.000 -0.050 0.000 0.988 684 Q CA 2.371 58.137 55.803 -0.061 0.000 0.843 684 Q CB -0.214 28.499 28.738 -0.041 0.000 0.908 684 Q HN 0.742 nan 8.270 nan 0.000 0.420 685 E N -0.002 120.181 120.200 -0.028 0.000 2.233 685 E HA -0.240 4.114 4.350 0.007 0.000 0.199 685 E C 1.848 178.436 176.600 -0.019 0.000 1.004 685 E CA 1.381 57.770 56.400 -0.019 0.000 0.819 685 E CB 0.010 29.704 29.700 -0.010 0.000 0.738 685 E HN 0.340 nan 8.360 nan 0.000 0.478 686 K N 0.420 120.806 120.400 -0.024 0.000 2.029 686 K HA 0.024 4.349 4.320 0.007 0.000 0.205 686 K C 2.191 178.774 176.600 -0.028 0.000 1.042 686 K CA 0.608 56.885 56.287 -0.017 0.000 0.949 686 K CB -0.116 32.379 32.500 -0.008 0.000 0.740 686 K HN 0.024 nan 8.250 nan 0.000 0.442 687 L N 1.675 122.860 121.223 -0.063 0.000 2.129 687 L HA -0.151 4.193 4.340 0.007 0.000 0.212 687 L C 1.515 178.348 176.870 -0.061 0.000 1.087 687 L CA 0.765 55.544 54.840 -0.101 0.000 0.757 687 L CB -0.751 41.153 42.059 -0.259 0.000 0.896 687 L HN 0.153 nan 8.230 nan 0.000 0.434 688 I N 0.000 120.540 120.570 -0.049 0.000 2.984 688 I HA 0.000 4.174 4.170 0.007 0.000 0.288 688 I CA 0.000 61.288 61.300 -0.021 0.000 1.566 688 I CB 0.000 37.989 38.000 -0.019 0.000 1.214 688 I HN 0.000 nan 8.210 nan 0.000 0.494