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 2om7_1_L 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 TLYDGSYHEV 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 29.748 29.700 0.081 0.000 0.812 7 Y N 1.059 121.373 120.300 0.022 0.000 2.409 7 Y HA 0.656 5.205 4.550 -0.001 0.000 0.343 7 Y C -1.593 174.309 175.900 0.003 0.000 0.973 7 Y CA -0.917 57.195 58.100 0.021 0.000 1.064 7 Y CB 1.802 40.275 38.460 0.020 0.000 1.207 7 Y HN -0.053 nan 8.280 nan 0.000 0.452 8 D N 5.539 125.493 120.400 -0.742 0.000 2.296 8 D HA 0.139 4.779 4.640 -0.001 0.000 0.224 8 D C -0.010 175.954 176.300 -0.560 0.000 1.324 8 D CA -0.326 53.292 54.000 -0.636 0.000 0.940 8 D CB 0.499 41.128 40.800 -0.286 0.000 1.492 8 D HN 0.687 nan 8.370 nan 0.000 0.531 9 L N 2.627 123.469 121.223 -0.636 0.000 2.026 9 L HA -0.326 4.014 4.340 -0.001 0.000 0.231 9 L C 2.262 179.028 176.870 -0.173 0.000 1.095 9 L CA 1.741 56.403 54.840 -0.297 0.000 0.810 9 L CB -0.450 41.516 42.059 -0.156 0.000 0.909 9 L HN 0.451 nan 8.230 nan 0.000 0.444 10 K N -0.518 119.795 120.400 -0.146 0.000 2.259 10 K HA -0.225 4.094 4.320 -0.001 0.000 0.206 10 K C 1.582 178.134 176.600 -0.080 0.000 1.044 10 K CA 1.549 57.785 56.287 -0.085 0.000 0.931 10 K CB -0.202 32.251 32.500 -0.077 0.000 0.726 10 K HN 0.367 nan 8.250 nan 0.000 0.467 11 R N -0.069 120.329 120.500 -0.169 0.000 2.613 11 R HA 0.163 4.502 4.340 -0.001 0.000 0.361 11 R C -0.687 175.547 176.300 -0.111 0.000 1.072 11 R CA -0.386 55.558 56.100 -0.259 0.000 1.089 11 R CB 0.424 30.373 30.300 -0.583 0.000 1.343 11 R HN -0.041 nan 8.270 nan 0.000 0.571 12 L N 0.598 121.785 121.223 -0.059 0.000 2.360 12 L HA 0.405 4.745 4.340 -0.001 0.000 0.271 12 L C -0.321 176.554 176.870 0.008 0.000 1.057 12 L CA -0.347 54.477 54.840 -0.027 0.000 0.803 12 L CB 1.205 43.243 42.059 -0.036 0.000 1.207 12 L HN -0.067 nan 8.230 nan 0.000 0.445 13 R N 2.501 122.995 120.500 -0.010 0.000 2.985 13 R HA 0.341 4.680 4.340 -0.001 0.000 0.259 13 R C -1.390 174.872 176.300 -0.063 0.000 1.815 13 R CA -0.308 55.779 56.100 -0.022 0.000 1.278 13 R CB 0.136 30.437 30.300 0.001 0.000 1.403 13 R HN 0.599 nan 8.270 nan 0.000 0.534 14 N N 5.157 123.815 118.700 -0.070 0.000 2.402 14 N HA 0.213 4.953 4.740 -0.001 0.000 0.252 14 N C 0.075 175.521 175.510 -0.106 0.000 1.118 14 N CA 0.013 53.004 53.050 -0.098 0.000 0.945 14 N CB 0.904 39.327 38.487 -0.107 0.000 1.147 14 N HN 0.555 nan 8.380 nan 0.000 0.495 15 I N -2.031 118.468 120.570 -0.119 0.000 3.237 15 I HA 0.926 5.096 4.170 -0.001 0.000 0.308 15 I C 0.139 176.175 176.117 -0.136 0.000 1.093 15 I CA -1.214 60.012 61.300 -0.123 0.000 1.001 15 I CB 2.256 40.180 38.000 -0.126 0.000 1.245 15 I HN 0.289 nan 8.210 nan 0.000 0.485 16 G N 2.599 111.320 108.800 -0.133 0.000 2.608 16 G HA2 0.570 4.530 3.960 -0.001 0.000 0.285 16 G HA3 0.570 4.530 3.960 -0.001 0.000 0.285 16 G C -1.426 173.398 174.900 -0.126 0.000 1.407 16 G CA -0.415 44.603 45.100 -0.137 0.000 1.276 16 G HN 0.408 nan 8.290 nan 0.000 0.587 17 I N 1.777 122.274 120.570 -0.122 0.000 2.474 17 I HA 0.600 4.769 4.170 -0.001 0.000 0.287 17 I C 0.715 176.764 176.117 -0.114 0.000 1.048 17 I CA -0.072 61.161 61.300 -0.112 0.000 1.383 17 I CB 1.634 39.573 38.000 -0.102 0.000 1.412 17 I HN 0.675 nan 8.210 nan 0.000 0.531 18 A N 4.832 127.582 122.820 -0.116 0.000 2.459 18 A HA 0.983 5.303 4.320 -0.001 0.000 0.296 18 A C -0.967 176.529 177.584 -0.146 0.000 1.039 18 A CA -0.171 51.791 52.037 -0.124 0.000 0.698 18 A CB 1.530 20.460 19.000 -0.115 0.000 1.261 18 A HN 0.991 nan 8.150 nan 0.000 0.405 19 A N 1.149 123.885 122.820 -0.139 0.000 2.599 19 A HA 0.703 5.022 4.320 -0.001 0.000 0.290 19 A C -0.842 176.686 177.584 -0.094 0.000 1.101 19 A CA -0.592 51.359 52.037 -0.144 0.000 0.674 19 A CB 0.506 19.430 19.000 -0.127 0.000 1.277 19 A HN 1.205 nan 8.150 nan 0.000 0.419 20 H N 0.667 119.665 119.070 -0.120 0.000 2.815 20 H HA 0.229 4.785 4.556 -0.001 0.000 0.350 20 H C 0.292 175.562 175.328 -0.097 0.000 1.080 20 H CA 0.548 56.540 56.048 -0.092 0.000 1.433 20 H CB 0.632 30.375 29.762 -0.031 0.000 1.432 20 H HN 0.699 nan 8.280 nan 0.000 0.592 21 I N 3.674 123.962 120.570 -0.470 0.000 3.017 21 I HA -0.249 3.920 4.170 -0.001 0.000 0.310 21 I C 1.028 177.157 176.117 0.019 0.000 1.220 21 I CA 1.381 62.544 61.300 -0.228 0.000 1.450 21 I CB -0.157 37.693 38.000 -0.250 0.000 1.317 21 I HN 1.022 nan 8.210 nan 0.000 0.570 22 D N 2.736 123.141 120.400 0.008 0.000 2.978 22 D HA -0.271 4.368 4.640 -0.001 0.000 0.205 22 D C 1.179 177.505 176.300 0.043 0.000 1.093 22 D CA 1.471 55.493 54.000 0.038 0.000 1.006 22 D CB -0.971 39.867 40.800 0.063 0.000 1.116 22 D HN 0.799 nan 8.370 nan 0.000 0.419 23 A N -0.204 122.643 122.820 0.045 0.000 2.016 23 A HA 0.484 4.803 4.320 -0.001 0.000 0.217 23 A C 1.975 179.563 177.584 0.006 0.000 1.162 23 A CA 1.732 53.786 52.037 0.029 0.000 0.662 23 A CB 0.049 19.067 19.000 0.030 0.000 0.812 23 A HN 1.189 nan 8.150 nan 0.000 0.450 24 G N -0.934 107.869 108.800 0.004 0.000 2.215 24 G HA2 -0.119 3.841 3.960 -0.001 0.000 0.187 24 G HA3 -0.119 3.841 3.960 -0.001 0.000 0.187 24 G C 0.716 175.627 174.900 0.018 0.000 1.039 24 G CA 0.608 45.719 45.100 0.019 0.000 0.771 24 G HN 0.441 nan 8.290 nan 0.000 0.507 25 K N 0.190 120.580 120.400 -0.017 0.000 1.985 25 K HA -0.072 4.247 4.320 -0.001 0.000 0.210 25 K C 2.376 178.954 176.600 -0.037 0.000 1.047 25 K CA 2.101 58.366 56.287 -0.037 0.000 0.932 25 K CB -0.373 32.084 32.500 -0.071 0.000 0.716 25 K HN 0.174 nan 8.250 nan 0.000 0.439 26 T N 0.743 115.274 114.554 -0.038 0.000 2.684 26 T HA -0.134 4.216 4.350 -0.001 0.000 0.267 26 T C 1.845 176.533 174.700 -0.021 0.000 1.036 26 T CA 2.112 64.190 62.100 -0.037 0.000 1.148 26 T CB -0.542 68.305 68.868 -0.036 0.000 0.863 26 T HN 0.422 nan 8.240 nan 0.000 0.436 27 T N 1.654 116.205 114.554 -0.005 0.000 2.684 27 T HA -0.123 4.226 4.350 -0.001 0.000 0.267 27 T C 2.277 176.988 174.700 0.019 0.000 1.036 27 T CA 1.664 63.770 62.100 0.009 0.000 1.148 27 T CB -0.775 68.108 68.868 0.024 0.000 0.863 27 T HN 0.376 nan 8.240 nan 0.000 0.436 28 T N 1.788 116.357 114.554 0.026 0.000 2.746 28 T HA -0.113 4.237 4.350 -0.001 0.000 0.267 28 T C 2.272 176.942 174.700 -0.051 0.000 1.039 28 T CA 1.642 63.745 62.100 0.005 0.000 1.142 28 T CB -0.609 68.278 68.868 0.032 0.000 0.866 28 T HN 0.424 nan 8.240 nan 0.000 0.444 29 T N 1.543 116.066 114.554 -0.050 0.000 2.777 29 T HA -0.062 4.288 4.350 -0.001 0.000 0.266 29 T C 1.935 176.614 174.700 -0.035 0.000 1.040 29 T CA 0.850 62.911 62.100 -0.065 0.000 1.141 29 T CB -0.162 68.665 68.868 -0.069 0.000 0.868 29 T HN 0.323 nan 8.240 nan 0.000 0.444 30 E N 1.296 121.488 120.200 -0.013 0.000 2.077 30 E HA -0.148 4.201 4.350 -0.001 0.000 0.193 30 E C 2.351 178.982 176.600 0.052 0.000 0.989 30 E CA 0.923 57.330 56.400 0.011 0.000 0.800 30 E CB -0.019 29.681 29.700 -0.000 0.000 0.746 30 E HN 0.191 nan 8.360 nan 0.000 0.452 31 R N 0.313 120.849 120.500 0.060 0.000 2.148 31 R HA -0.014 4.325 4.340 -0.001 0.000 0.227 31 R C 2.454 178.868 176.300 0.190 0.000 1.103 31 R CA 0.433 56.623 56.100 0.151 0.000 0.983 31 R CB -0.528 29.866 30.300 0.157 0.000 0.874 31 R HN 0.367 nan 8.270 nan 0.000 0.451 32 I N 0.369 120.959 120.570 0.034 0.000 2.163 32 I HA -0.261 3.908 4.170 -0.001 0.000 0.240 32 I C 1.858 177.977 176.117 0.003 0.000 1.081 32 I CA 0.856 62.121 61.300 -0.058 0.000 1.353 32 I CB -0.221 37.684 38.000 -0.158 0.000 1.054 32 I HN 0.044 nan 8.210 nan 0.000 0.407 33 L N 0.030 121.269 121.223 0.025 0.000 2.127 33 L HA -0.256 4.084 4.340 -0.001 0.000 0.211 33 L C 2.372 179.305 176.870 0.105 0.000 1.089 33 L CA 1.828 56.701 54.840 0.055 0.000 0.757 33 L CB -1.541 40.548 42.059 0.050 0.000 0.899 33 L HN 0.289 nan 8.230 nan 0.000 0.434 34 Y N -0.737 119.559 120.300 -0.006 0.000 2.092 34 Y HA -0.281 4.269 4.550 -0.001 0.000 0.282 34 Y C 2.631 178.501 175.900 -0.049 0.000 1.126 34 Y CA 1.450 59.512 58.100 -0.063 0.000 1.111 34 Y CB -0.924 37.431 38.460 -0.175 0.000 0.987 34 Y HN 0.149 nan 8.280 nan 0.000 0.489 35 Y N 0.633 120.752 120.300 -0.301 0.000 2.128 35 Y HA -0.295 4.255 4.550 -0.001 0.000 0.284 35 Y C 2.933 178.812 175.900 -0.035 0.000 1.154 35 Y CA 2.643 60.562 58.100 -0.302 0.000 1.149 35 Y CB -0.933 37.398 38.460 -0.216 0.000 0.976 35 Y HN 0.336 nan 8.280 nan 0.000 0.505 36 T N -3.462 111.204 114.554 0.186 0.000 2.962 36 T HA -0.064 4.286 4.350 -0.001 0.000 0.270 36 T C 2.079 176.906 174.700 0.212 0.000 1.088 36 T CA 0.971 63.266 62.100 0.326 0.000 1.127 36 T CB -0.835 68.174 68.868 0.234 0.000 0.883 36 T HN 0.376 nan 8.240 nan 0.000 0.493 37 G N 1.232 110.089 108.800 0.094 0.000 2.679 37 G HA2 0.043 4.003 3.960 -0.001 0.000 0.212 37 G HA3 0.043 4.003 3.960 -0.001 0.000 0.212 37 G C 0.763 175.685 174.900 0.037 0.000 1.137 37 G CA -0.553 44.603 45.100 0.093 0.000 0.787 37 G HN 0.480 nan 8.290 nan 0.000 0.534 38 R N 0.827 121.307 120.500 -0.033 0.000 2.205 38 R HA 0.501 4.841 4.340 -0.001 0.000 0.342 38 R C -0.051 176.255 176.300 0.010 0.000 1.058 38 R CA -0.132 55.940 56.100 -0.046 0.000 0.904 38 R CB 0.574 30.788 30.300 -0.144 0.000 1.089 38 R HN 0.434 nan 8.270 nan 0.000 0.471 69 V N 1.892 121.575 119.914 -0.386 0.000 2.716 69 V HA 0.579 4.698 4.120 -0.001 0.000 0.284 69 V C -1.616 174.442 176.094 -0.060 0.000 1.129 69 V CA 0.407 62.644 62.300 -0.105 0.000 0.926 69 V CB 1.287 33.165 31.823 0.091 0.000 1.051 69 V HN 0.407 nan 8.190 nan 0.000 0.458 70 T N 5.076 119.574 114.554 -0.092 0.000 2.829 70 T HA 0.552 4.902 4.350 -0.001 0.000 0.282 70 T C -0.052 174.553 174.700 -0.158 0.000 0.990 70 T CA -0.017 62.023 62.100 -0.100 0.000 1.028 70 T CB 1.537 70.354 68.868 -0.085 0.000 0.951 70 T HN 0.847 nan 8.240 nan 0.000 0.460 71 T N 1.372 115.773 114.554 -0.255 0.000 2.944 71 T HA 0.716 5.066 4.350 -0.001 0.000 0.284 71 T C -0.387 174.065 174.700 -0.413 0.000 1.010 71 T CA -0.447 61.431 62.100 -0.371 0.000 1.025 71 T CB 0.126 68.705 68.868 -0.481 0.000 1.079 71 T HN 1.029 nan 8.240 nan 0.000 0.516 72 C N 1.221 120.243 119.300 -0.464 0.000 3.231 72 C HA 0.752 5.211 4.460 -0.001 0.000 0.343 72 C C -1.897 172.826 174.990 -0.445 0.000 1.349 72 C CA -1.487 57.353 59.018 -0.295 0.000 1.209 72 C CB -0.298 27.399 27.740 -0.071 0.000 1.475 72 C HN 0.727 nan 8.230 nan 0.000 0.460 73 F N 0.927 120.949 119.950 0.119 0.000 2.546 73 F HA 0.861 5.387 4.527 -0.001 0.000 0.320 73 F C -0.209 175.756 175.800 0.275 0.000 1.076 73 F CA -0.403 57.690 58.000 0.156 0.000 0.928 73 F CB 1.675 40.741 39.000 0.111 0.000 1.189 73 F HN 0.928 nan 8.300 nan 0.000 0.465 74 W N 3.940 125.356 121.300 0.193 0.000 3.405 74 W HA 0.230 4.889 4.660 -0.001 0.000 0.329 74 W C -0.944 175.634 176.519 0.099 0.000 1.142 74 W CA -1.083 56.314 57.345 0.086 0.000 1.235 74 W CB 1.504 30.954 29.460 -0.016 0.000 1.341 74 W HN 0.484 nan 8.180 nan 0.000 0.481 75 K N 5.099 125.192 120.400 -0.512 0.000 3.311 75 K HA -0.246 4.073 4.320 -0.001 0.000 0.270 75 K C -0.183 176.476 176.600 0.098 0.000 0.927 75 K CA 1.915 58.009 56.287 -0.321 0.000 0.706 75 K CB -1.514 30.760 32.500 -0.376 0.000 1.418 75 K HN 0.700 nan 8.250 nan 0.000 0.459 76 D N -1.103 119.355 120.400 0.096 0.000 2.800 76 D HA -0.181 4.458 4.640 -0.001 0.000 0.232 76 D C -0.373 176.021 176.300 0.157 0.000 1.137 76 D CA 1.346 55.419 54.000 0.121 0.000 0.718 76 D CB -1.122 39.698 40.800 0.033 0.000 1.084 76 D HN 0.625 nan 8.370 nan 0.000 0.432 77 H N -0.737 118.421 119.070 0.146 0.000 2.806 77 H HA 0.448 5.004 4.556 -0.001 0.000 0.367 77 H C 0.121 175.529 175.328 0.134 0.000 1.136 77 H CA -0.735 55.386 56.048 0.123 0.000 1.178 77 H CB 1.412 31.217 29.762 0.071 0.000 1.718 77 H HN -0.044 nan 8.280 nan 0.000 0.540 78 R N 3.288 123.850 120.500 0.103 0.000 2.254 78 R HA 0.425 4.764 4.340 -0.001 0.000 0.318 78 R C -0.990 175.228 176.300 -0.137 0.000 1.031 78 R CA -0.381 55.599 56.100 -0.201 0.000 0.905 78 R CB 0.264 30.421 30.300 -0.238 0.000 1.050 78 R HN 0.608 nan 8.270 nan 0.000 0.456 79 I N 4.351 124.801 120.570 -0.200 0.000 2.362 79 I HA 0.214 4.383 4.170 -0.001 0.000 0.289 79 I C -0.397 175.604 176.117 -0.192 0.000 0.994 79 I CA -0.831 60.383 61.300 -0.144 0.000 1.158 79 I CB 1.733 39.664 38.000 -0.116 0.000 1.315 79 I HN 0.513 nan 8.210 nan 0.000 0.451 80 N N 7.944 126.551 118.700 -0.155 0.000 2.546 80 N HA 0.396 5.136 4.740 -0.001 0.000 0.238 80 N C -0.457 174.973 175.510 -0.134 0.000 0.984 80 N CA -0.317 52.645 53.050 -0.147 0.000 0.935 80 N CB 1.620 40.036 38.487 -0.117 0.000 1.122 80 N HN 0.490 nan 8.380 nan 0.000 0.510 81 I N 3.546 124.034 120.570 -0.136 0.000 2.329 81 I HA 0.108 4.277 4.170 -0.001 0.000 0.295 81 I C 0.354 176.397 176.117 -0.123 0.000 1.109 81 I CA -0.460 60.761 61.300 -0.131 0.000 1.297 81 I CB 0.041 37.964 38.000 -0.128 0.000 1.433 81 I HN 0.183 nan 8.210 nan 0.000 0.509 82 I N 5.681 126.169 120.570 -0.136 0.000 2.588 82 I HA -0.039 4.131 4.170 -0.001 0.000 0.283 82 I C 0.562 176.599 176.117 -0.133 0.000 1.119 82 I CA 0.327 61.541 61.300 -0.145 0.000 1.419 82 I CB 0.283 38.143 38.000 -0.233 0.000 1.394 82 I HN 0.440 nan 8.210 nan 0.000 0.562 83 D N 4.602 124.937 120.400 -0.108 0.000 2.365 83 D HA 0.174 4.813 4.640 -0.001 0.000 0.237 83 D C -0.052 176.179 176.300 -0.114 0.000 1.190 83 D CA -0.217 53.712 54.000 -0.118 0.000 0.867 83 D CB 0.448 41.167 40.800 -0.136 0.000 1.050 83 D HN 0.640 nan 8.370 nan 0.000 0.491 84 T N 1.926 116.401 114.554 -0.131 0.000 2.898 84 T HA 0.377 4.726 4.350 -0.001 0.000 0.301 84 T C -2.144 172.460 174.700 -0.160 0.000 1.049 84 T CA -1.526 60.494 62.100 -0.134 0.000 1.095 84 T CB 0.930 69.718 68.868 -0.132 0.000 0.976 84 T HN 0.130 nan 8.240 nan 0.000 0.539 85 P HA 0.106 nan 4.420 nan 0.000 0.269 85 P C 1.312 178.366 177.300 -0.411 0.000 1.205 85 P CA 0.151 63.070 63.100 -0.302 0.000 0.780 85 P CB -0.010 31.565 31.700 -0.209 0.000 0.858 86 G N 0.330 108.720 108.800 -0.683 0.000 2.422 86 G HA2 -0.149 3.811 3.960 -0.001 0.000 0.218 86 G HA3 -0.149 3.811 3.960 -0.001 0.000 0.218 86 G C 0.339 175.039 174.900 -0.334 0.000 1.146 86 G CA 1.047 45.848 45.100 -0.499 0.000 0.769 86 G HN 0.608 nan 8.290 nan 0.000 0.547 87 H N -0.940 117.810 119.070 -0.533 0.000 2.894 87 H HA 0.231 4.786 4.556 -0.001 0.000 0.367 87 H C 1.335 176.719 175.328 0.093 0.000 1.144 87 H CA -0.087 55.924 56.048 -0.062 0.000 1.180 87 H CB 2.286 32.189 29.762 0.236 0.000 1.758 87 H HN -0.017 nan 8.280 nan 0.000 0.541 88 V N 0.850 120.792 119.914 0.047 0.000 2.546 88 V HA -0.193 3.927 4.120 -0.001 0.000 0.254 88 V C 1.426 177.696 176.094 0.293 0.000 1.076 88 V CA 2.166 64.547 62.300 0.134 0.000 1.087 88 V CB -0.265 31.566 31.823 0.013 0.000 0.674 88 V HN 0.566 nan 8.190 nan 0.000 0.470 89 D N 0.573 121.275 120.400 0.503 0.000 2.221 89 D HA -0.097 4.542 4.640 -0.001 0.000 0.204 89 D C 0.959 177.302 176.300 0.071 0.000 0.982 89 D CA 1.081 55.181 54.000 0.167 0.000 0.857 89 D CB -0.507 40.233 40.800 -0.100 0.000 0.934 89 D HN 0.594 nan 8.370 nan 0.000 0.475 90 F N 1.658 121.593 119.950 -0.025 0.000 2.591 90 F HA 0.031 4.557 4.527 -0.001 0.000 0.378 90 F C 1.869 177.672 175.800 0.005 0.000 1.181 90 F CA 0.020 58.001 58.000 -0.031 0.000 1.340 90 F CB -1.110 37.891 39.000 0.000 0.000 1.749 90 F HN -0.218 nan 8.300 nan 0.000 0.662 91 T N 0.756 115.386 114.554 0.127 0.000 2.570 91 T HA -0.316 4.034 4.350 -0.001 0.000 0.266 91 T C 2.219 176.984 174.700 0.108 0.000 1.071 91 T CA 1.915 64.078 62.100 0.105 0.000 1.172 91 T CB -0.362 68.543 68.868 0.061 0.000 0.864 91 T HN 0.436 nan 8.240 nan 0.000 0.421 92 I N 1.413 122.039 120.570 0.093 0.000 2.113 92 I HA -0.221 3.948 4.170 -0.001 0.000 0.242 92 I C 2.377 178.548 176.117 0.089 0.000 1.064 92 I CA 1.729 63.080 61.300 0.086 0.000 1.320 92 I CB -0.524 37.521 38.000 0.075 0.000 1.028 92 I HN 0.339 nan 8.210 nan 0.000 0.406 93 E N -0.375 119.903 120.200 0.128 0.000 2.097 93 E HA -0.237 4.112 4.350 -0.001 0.000 0.196 93 E C 2.250 178.881 176.600 0.053 0.000 1.000 93 E CA 1.993 58.463 56.400 0.116 0.000 0.804 93 E CB -0.319 29.487 29.700 0.177 0.000 0.740 93 E HN 0.465 nan 8.360 nan 0.000 0.454 94 V N 1.707 121.660 119.914 0.064 0.000 2.261 94 V HA -0.257 3.862 4.120 -0.001 0.000 0.246 94 V C 2.129 178.206 176.094 -0.029 0.000 1.047 94 V CA 1.943 64.254 62.300 0.018 0.000 1.015 94 V CB -0.547 31.311 31.823 0.058 0.000 0.642 94 V HN 0.250 nan 8.190 nan 0.000 0.446 95 E N 0.115 120.321 120.200 0.011 0.000 2.085 95 E HA -0.289 4.061 4.350 -0.001 0.000 0.194 95 E C 2.398 178.775 176.600 -0.373 0.000 0.994 95 E CA 1.473 57.814 56.400 -0.097 0.000 0.801 95 E CB -0.290 29.500 29.700 0.150 0.000 0.743 95 E HN 0.496 nan 8.360 nan 0.000 0.453 96 R N 1.243 121.640 120.500 -0.171 0.000 2.096 96 R HA -0.133 4.207 4.340 -0.001 0.000 0.235 96 R C 2.472 178.641 176.300 -0.219 0.000 1.127 96 R CA 1.748 57.753 56.100 -0.158 0.000 0.968 96 R CB -0.149 30.141 30.300 -0.017 0.000 0.861 96 R HN 0.167 nan 8.270 nan 0.000 0.440 97 S N -0.333 115.248 115.700 -0.198 0.000 2.453 97 S HA -0.079 4.391 4.470 -0.001 0.000 0.231 97 S C 1.958 176.392 174.600 -0.277 0.000 1.005 97 S CA 0.629 58.676 58.200 -0.254 0.000 0.949 97 S CB 0.000 63.093 63.200 -0.178 0.000 0.774 97 S HN 0.215 nan 8.310 nan 0.000 0.510 98 M N 1.807 121.224 119.600 -0.304 0.000 2.175 98 M HA 0.113 4.592 4.480 -0.001 0.000 0.264 98 M C 2.265 178.380 176.300 -0.310 0.000 1.063 98 M CA 1.259 56.382 55.300 -0.294 0.000 1.119 98 M CB -1.139 31.256 32.600 -0.342 0.000 1.377 98 M HN 0.428 nan 8.290 nan 0.000 0.415 99 R N -1.107 119.149 120.500 -0.408 0.000 2.153 99 R HA 0.016 4.356 4.340 -0.001 0.000 0.218 99 R C 2.179 178.430 176.300 -0.081 0.000 1.072 99 R CA 0.653 56.607 56.100 -0.244 0.000 0.990 99 R CB -0.231 29.907 30.300 -0.270 0.000 0.889 99 R HN 0.156 nan 8.270 nan 0.000 0.452 100 V N 1.732 121.520 119.914 -0.210 0.000 2.788 100 V HA -0.025 4.095 4.120 -0.001 0.000 0.251 100 V C 0.722 176.633 176.094 -0.304 0.000 1.068 100 V CA 0.712 62.823 62.300 -0.316 0.000 1.090 100 V CB -0.138 31.213 31.823 -0.787 0.000 0.710 100 V HN 0.134 nan 8.190 nan 0.000 0.467 101 L N -2.582 118.492 121.223 -0.249 0.000 2.448 101 L HA 0.630 4.970 4.340 -0.001 0.000 0.258 101 L C 0.602 177.401 176.870 -0.119 0.000 1.104 101 L CA 0.276 55.000 54.840 -0.192 0.000 0.800 101 L CB -0.013 41.936 42.059 -0.184 0.000 1.241 101 L HN -0.171 nan 8.230 nan 0.000 0.472 102 D N -0.909 119.433 120.400 -0.096 0.000 2.626 102 D HA 0.282 4.922 4.640 -0.001 0.000 0.274 102 D C 0.517 176.782 176.300 -0.060 0.000 1.045 102 D CA 0.928 54.893 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 0.779 nan 8.370 nan 0.000 0.490 103 G N -0.276 108.480 108.800 -0.074 0.000 2.630 103 G HA2 0.688 4.648 3.960 -0.001 0.000 0.296 103 G HA3 0.688 4.648 3.960 -0.001 0.000 0.296 103 G C -1.405 173.440 174.900 -0.092 0.000 1.285 103 G CA -0.341 44.716 45.100 -0.071 0.000 0.958 103 G HN 0.198 nan 8.290 nan 0.000 0.479 104 A N -0.328 122.437 122.820 -0.092 0.000 2.498 104 A HA 0.810 5.129 4.320 -0.001 0.000 0.298 104 A C -1.192 176.346 177.584 -0.078 0.000 1.075 104 A CA -0.600 51.375 52.037 -0.103 0.000 0.714 104 A CB 1.397 20.320 19.000 -0.129 0.000 1.299 104 A HN 0.634 nan 8.150 nan 0.000 0.407 105 I N 1.870 122.393 120.570 -0.078 0.000 2.411 105 I HA 0.298 4.467 4.170 -0.001 0.000 0.284 105 I C -0.862 175.231 176.117 -0.041 0.000 1.012 105 I CA -0.733 60.545 61.300 -0.036 0.000 1.119 105 I CB 1.830 39.785 38.000 -0.075 0.000 1.261 105 I HN 0.324 nan 8.210 nan 0.000 0.448 106 V N 7.432 127.337 119.914 -0.015 0.000 2.406 106 V HA 0.246 4.365 4.120 -0.001 0.000 0.272 106 V C 0.247 176.194 176.094 -0.246 0.000 1.043 106 V CA -0.546 61.660 62.300 -0.156 0.000 0.915 106 V CB 1.503 33.258 31.823 -0.113 0.000 0.988 106 V HN 0.349 nan 8.190 nan 0.000 0.466 107 V N 6.359 126.103 119.914 -0.284 0.000 2.407 107 V HA 0.500 4.620 4.120 -0.001 0.000 0.278 107 V C -0.349 175.494 176.094 -0.419 0.000 1.037 107 V CA -0.262 61.936 62.300 -0.170 0.000 0.900 107 V CB 1.126 32.952 31.823 0.005 0.000 0.983 107 V HN 0.643 nan 8.190 nan 0.000 0.459 108 F N 1.876 121.819 119.950 -0.013 0.000 2.522 108 F HA 0.414 4.940 4.527 -0.001 0.000 0.324 108 F C 0.369 176.103 175.800 -0.109 0.000 1.077 108 F CA -0.963 57.010 58.000 -0.045 0.000 0.944 108 F CB 1.292 40.252 39.000 -0.067 0.000 1.175 108 F HN 0.394 nan 8.300 nan 0.000 0.468 109 D N 1.025 121.479 120.400 0.090 0.000 2.336 109 D HA 0.064 4.704 4.640 -0.001 0.000 0.249 109 D C 0.597 176.875 176.300 -0.036 0.000 1.213 109 D CA 0.269 54.263 54.000 -0.009 0.000 0.870 109 D CB 1.208 41.999 40.800 -0.015 0.000 1.076 109 D HN 0.474 nan 8.370 nan 0.000 0.483 110 S N 1.904 117.537 115.700 -0.112 0.000 2.584 110 S HA -0.136 4.333 4.470 -0.001 0.000 0.240 110 S C 1.758 176.274 174.600 -0.141 0.000 0.975 110 S CA 0.954 59.057 58.200 -0.161 0.000 0.949 110 S CB -0.007 63.037 63.200 -0.260 0.000 0.761 110 S HN 0.640 nan 8.310 nan 0.000 0.536 111 S N -0.161 115.477 115.700 -0.103 0.000 2.502 111 S HA 0.189 4.658 4.470 -0.001 0.000 0.215 111 S C 1.569 176.128 174.600 -0.068 0.000 1.009 111 S CA -0.296 57.855 58.200 -0.083 0.000 0.908 111 S CB 0.071 63.230 63.200 -0.067 0.000 0.801 111 S HN 0.216 nan 8.310 nan 0.000 0.505 112 Q N 1.019 120.779 119.800 -0.066 0.000 2.349 112 Q HA 0.381 4.721 4.340 -0.001 0.000 0.209 112 Q C 1.417 177.374 176.000 -0.072 0.000 0.920 112 Q CA 0.940 56.703 55.803 -0.067 0.000 0.901 112 Q CB 0.188 28.879 28.738 -0.079 0.000 1.021 112 Q HN 0.679 nan 8.270 nan 0.000 0.519 113 G N 0.501 109.258 108.800 -0.071 0.000 2.545 113 G HA2 -0.270 3.689 3.960 -0.001 0.000 0.216 113 G HA3 -0.270 3.689 3.960 -0.001 0.000 0.216 113 G C -0.547 174.325 174.900 -0.046 0.000 1.314 113 G CA -0.235 44.795 45.100 -0.117 0.000 0.906 113 G HN 0.316 nan 8.290 nan 0.000 0.563 114 V N 2.135 121.977 119.914 -0.120 0.000 2.326 114 V HA 0.471 4.590 4.120 -0.001 0.000 0.249 114 V C 0.897 177.024 176.094 0.055 0.000 1.114 114 V CA 0.484 62.815 62.300 0.051 0.000 1.028 114 V CB -0.589 31.157 31.823 -0.127 0.000 1.170 114 V HN 0.646 nan 8.190 nan 0.000 0.494 115 E N 6.629 126.862 120.200 0.055 0.000 2.416 115 E HA 0.154 4.503 4.350 -0.001 0.000 0.254 115 E C -1.557 175.085 176.600 0.069 0.000 1.241 115 E CA -1.057 55.300 56.400 -0.072 0.000 0.969 115 E CB 0.188 29.610 29.700 -0.463 0.000 0.999 115 E HN 0.421 nan 8.360 nan 0.000 0.481 116 P HA -0.259 nan 4.420 nan 0.000 0.217 116 P C 0.916 178.355 177.300 0.232 0.000 1.162 116 P CA 1.750 64.955 63.100 0.174 0.000 0.901 116 P CB 0.145 31.955 31.700 0.184 0.000 0.793 117 Q N -1.072 118.963 119.800 0.391 0.000 2.167 117 Q HA -0.085 4.254 4.340 -0.001 0.000 0.202 117 Q C 2.256 178.355 176.000 0.166 0.000 0.970 117 Q CA 1.405 57.312 55.803 0.174 0.000 0.855 117 Q CB -0.528 28.124 28.738 -0.143 0.000 0.911 117 Q HN 0.246 nan 8.270 nan 0.000 0.438 118 S N 1.397 117.244 115.700 0.245 0.000 2.374 118 S HA -0.265 4.205 4.470 -0.001 0.000 0.227 118 S C 1.868 176.637 174.600 0.281 0.000 1.037 118 S CA 1.735 60.070 58.200 0.224 0.000 1.024 118 S CB -0.262 63.136 63.200 0.331 0.000 0.861 118 S HN 0.444 nan 8.310 nan 0.000 0.456 119 E N 0.852 121.192 120.200 0.233 0.000 2.077 119 E HA -0.147 4.202 4.350 -0.001 0.000 0.193 119 E C 1.937 178.679 176.600 0.236 0.000 0.989 119 E CA 1.690 58.217 56.400 0.211 0.000 0.800 119 E CB -0.329 29.446 29.700 0.125 0.000 0.746 119 E HN 0.428 nan 8.360 nan 0.000 0.452 120 T N 0.739 115.399 114.554 0.176 0.000 2.652 120 T HA -0.184 4.165 4.350 -0.001 0.000 0.267 120 T C 1.983 176.765 174.700 0.137 0.000 1.039 120 T CA 1.997 64.180 62.100 0.139 0.000 1.153 120 T CB -0.509 68.418 68.868 0.098 0.000 0.863 120 T HN 0.338 nan 8.240 nan 0.000 0.428 121 V N -0.700 119.287 119.914 0.122 0.000 2.515 121 V HA -0.081 4.039 4.120 -0.001 0.000 0.250 121 V C 2.077 178.233 176.094 0.104 0.000 1.058 121 V CA 1.175 63.522 62.300 0.078 0.000 1.064 121 V CB -1.036 30.800 31.823 0.021 0.000 0.675 121 V HN 0.610 nan 8.190 nan 0.000 0.461 122 W N 1.547 122.872 121.300 0.042 0.000 2.354 122 W HA -0.123 4.536 4.660 -0.001 0.000 0.315 122 W C 2.762 179.310 176.519 0.048 0.000 1.206 122 W CA 2.285 59.666 57.345 0.059 0.000 1.290 122 W CB -0.261 29.255 29.460 0.093 0.000 1.152 122 W HN 0.232 nan 8.180 nan 0.000 0.489 123 R N 0.207 120.886 120.500 0.298 0.000 2.091 123 R HA -0.187 4.152 4.340 -0.001 0.000 0.238 123 R C 1.985 178.317 176.300 0.053 0.000 1.136 123 R CA 1.379 57.586 56.100 0.177 0.000 0.959 123 R CB -1.251 29.137 30.300 0.145 0.000 0.856 123 R HN 0.304 nan 8.270 nan 0.000 0.437 124 Q N 0.418 120.253 119.800 0.059 0.000 2.030 124 Q HA -0.052 4.288 4.340 -0.001 0.000 0.204 124 Q C 2.138 178.164 176.000 0.043 0.000 0.986 124 Q CA 1.960 57.801 55.803 0.064 0.000 0.843 124 Q CB -0.626 28.174 28.738 0.103 0.000 0.904 124 Q HN 0.355 nan 8.270 nan 0.000 0.420 125 A N 0.967 123.756 122.820 -0.052 0.000 1.978 125 A HA -0.223 4.097 4.320 -0.001 0.000 0.220 125 A C 2.010 179.503 177.584 -0.152 0.000 1.170 125 A CA 1.694 53.650 52.037 -0.135 0.000 0.636 125 A CB -0.433 18.363 19.000 -0.339 0.000 0.810 125 A HN 0.439 nan 8.150 nan 0.000 0.448 126 E N -0.639 119.459 120.200 -0.169 0.000 2.072 126 E HA -0.172 4.177 4.350 -0.001 0.000 0.190 126 E C 2.083 178.620 176.600 -0.105 0.000 0.982 126 E CA 1.176 57.511 56.400 -0.108 0.000 0.803 126 E CB -0.128 29.569 29.700 -0.004 0.000 0.755 126 E HN 0.663 nan 8.360 nan 0.000 0.453 127 K N 0.301 120.604 120.400 -0.162 0.000 2.103 127 K HA -0.174 4.145 4.320 -0.001 0.000 0.207 127 K C 0.880 177.197 176.600 -0.471 0.000 1.048 127 K CA 1.322 57.405 56.287 -0.341 0.000 0.930 127 K CB -0.011 32.190 32.500 -0.500 0.000 0.716 127 K HN 0.137 nan 8.250 nan 0.000 0.444 128 Y N 0.975 121.246 120.300 -0.049 0.000 2.571 128 Y HA 0.232 4.782 4.550 -0.001 0.000 0.275 128 Y C -0.337 175.526 175.900 -0.061 0.000 1.179 128 Y CA -0.246 57.822 58.100 -0.053 0.000 1.242 128 Y CB 0.206 38.631 38.460 -0.058 0.000 1.126 128 Y HN -0.051 nan 8.280 nan 0.000 0.524 129 K N 0.476 120.877 120.400 0.001 0.000 3.356 129 K HA -0.180 4.139 4.320 -0.001 0.000 0.270 129 K C -0.168 176.422 176.600 -0.016 0.000 0.901 129 K CA 0.689 56.965 56.287 -0.018 0.000 0.688 129 K CB -1.443 31.051 32.500 -0.010 0.000 1.460 129 K HN 0.232 nan 8.250 nan 0.000 0.458 130 V N -0.813 119.081 119.914 -0.033 0.000 2.383 130 V HA 0.402 4.521 4.120 -0.001 0.000 0.275 130 V C -2.179 173.859 176.094 -0.093 0.000 1.036 130 V CA -2.183 60.087 62.300 -0.050 0.000 0.889 130 V CB 1.231 33.025 31.823 -0.048 0.000 0.985 130 V HN 0.017 nan 8.190 nan 0.000 0.459 131 P HA 0.258 nan 4.420 nan 0.000 0.269 131 P C -0.885 176.361 177.300 -0.089 0.000 1.217 131 P CA 0.092 63.150 63.100 -0.069 0.000 0.783 131 P CB 0.276 31.954 31.700 -0.037 0.000 0.898 132 R N 1.773 122.225 120.500 -0.081 0.000 2.710 132 R HA 0.731 5.070 4.340 -0.001 0.000 0.270 132 R C -1.222 175.102 176.300 0.039 0.000 1.021 132 R CA -0.939 55.117 56.100 -0.072 0.000 0.889 132 R CB 1.056 31.226 30.300 -0.216 0.000 1.243 132 R HN 0.461 nan 8.270 nan 0.000 0.464 133 I N -1.841 118.793 120.570 0.106 0.000 3.002 133 I HA 0.913 5.083 4.170 -0.001 0.000 0.310 133 I C -0.865 175.432 176.117 0.300 0.000 1.087 133 I CA -1.297 60.156 61.300 0.254 0.000 1.017 133 I CB 2.450 40.661 38.000 0.352 0.000 1.226 133 I HN 0.831 nan 8.210 nan 0.000 0.443 134 A N 2.670 125.742 122.820 0.419 0.000 2.380 134 A HA 0.839 5.159 4.320 -0.001 0.000 0.315 134 A C -1.587 176.324 177.584 0.545 0.000 1.101 134 A CA -0.418 51.912 52.037 0.488 0.000 0.771 134 A CB 1.494 20.864 19.000 0.617 0.000 1.287 134 A HN 0.691 nan 8.150 nan 0.000 0.436 135 F N 1.823 121.943 119.950 0.282 0.000 2.539 135 F HA 0.622 5.149 4.527 -0.001 0.000 0.328 135 F C 0.094 176.007 175.800 0.189 0.000 1.148 135 F CA -1.134 56.988 58.000 0.204 0.000 0.940 135 F CB 1.504 40.555 39.000 0.085 0.000 1.194 135 F HN 0.707 nan 8.300 nan 0.000 0.438 136 A N 6.502 129.129 122.820 -0.322 0.000 2.539 136 A HA 0.245 4.565 4.320 -0.001 0.000 0.306 136 A C 0.023 177.112 177.584 -0.825 0.000 1.392 136 A CA -0.359 51.437 52.037 -0.402 0.000 1.060 136 A CB -0.581 18.229 19.000 -0.316 0.000 1.134 136 A HN 0.897 nan 8.150 nan 0.000 0.542 137 N N 1.478 119.738 118.700 -0.733 0.000 2.463 137 N HA 0.238 4.978 4.740 -0.001 0.000 0.270 137 N C -0.293 175.016 175.510 -0.335 0.000 1.205 137 N CA -0.490 52.174 53.050 -0.644 0.000 0.974 137 N CB 0.273 38.553 38.487 -0.345 0.000 1.197 137 N HN 0.554 nan 8.380 nan 0.000 0.504 138 K N 0.945 121.206 120.400 -0.232 0.000 3.192 138 K HA -0.145 4.175 4.320 -0.001 0.000 0.278 138 K C 0.645 177.108 176.600 -0.229 0.000 1.164 138 K CA 0.170 56.361 56.287 -0.161 0.000 0.816 138 K CB -1.074 31.358 32.500 -0.113 0.000 1.256 138 K HN 0.675 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 -0.132 4.348 4.480 -0.001 0.000 0.263 139 M C 1.852 177.891 176.300 -0.435 0.000 1.066 139 M CA 1.839 56.783 55.300 -0.593 0.000 1.087 139 M CB -0.592 31.291 32.600 -1.195 0.000 1.406 139 M HN 0.373 nan 8.290 nan 0.000 0.459 140 D N -0.473 119.821 120.400 -0.176 0.000 2.289 140 D HA -0.089 4.551 4.640 -0.001 0.000 0.207 140 D C 0.931 177.231 176.300 0.000 0.000 0.966 140 D CA 0.293 54.313 54.000 0.033 0.000 0.868 140 D CB 0.028 40.905 40.800 0.127 0.000 0.943 140 D HN 0.270 nan 8.370 nan 0.000 0.514 141 K N 1.682 122.055 120.400 -0.045 0.000 2.258 141 K HA 0.076 4.396 4.320 -0.001 0.000 0.264 141 K C 0.073 176.654 176.600 -0.033 0.000 1.007 141 K CA -0.270 55.998 56.287 -0.032 0.000 0.941 141 K CB 0.767 33.242 32.500 -0.042 0.000 0.966 141 K HN 0.030 nan 8.250 nan 0.000 0.480 142 T N 0.192 114.737 114.554 -0.015 0.000 2.916 142 T HA 0.301 4.651 4.350 -0.001 0.000 0.303 142 T C 1.044 175.730 174.700 -0.023 0.000 1.025 142 T CA 0.159 62.253 62.100 -0.010 0.000 1.142 142 T CB 0.788 69.656 68.868 -0.000 0.000 0.947 142 T HN 0.879 nan 8.240 nan 0.000 0.544 143 G N 1.814 110.601 108.800 -0.022 0.000 2.195 143 G HA2 -0.034 3.926 3.960 -0.001 0.000 0.246 143 G HA3 -0.034 3.926 3.960 -0.001 0.000 0.246 143 G C 0.387 175.256 174.900 -0.051 0.000 0.984 143 G CA -0.100 44.983 45.100 -0.028 0.000 0.633 143 G HN 1.641 nan 8.290 nan 0.000 0.525 144 A N 0.216 122.990 122.820 -0.077 0.000 2.548 144 A HA 0.493 4.813 4.320 -0.001 0.000 0.247 144 A C 0.150 177.653 177.584 -0.134 0.000 1.067 144 A CA 1.370 53.329 52.037 -0.129 0.000 0.757 144 A CB 0.274 19.164 19.000 -0.184 0.000 0.996 144 A HN 0.868 nan 8.150 nan 0.000 0.504 145 D N 2.257 122.563 120.400 -0.157 0.000 2.616 145 D HA 0.169 4.808 4.640 -0.001 0.000 0.238 145 D C 0.647 176.778 176.300 -0.282 0.000 1.354 145 D CA -0.656 53.250 54.000 -0.157 0.000 0.970 145 D CB 0.837 41.615 40.800 -0.036 0.000 1.369 145 D HN 0.238 nan 8.370 nan 0.000 0.585 146 L N 3.826 124.748 121.223 -0.502 0.000 2.191 146 L HA -0.011 4.329 4.340 -0.001 0.000 0.212 146 L C 0.728 177.173 176.870 -0.709 0.000 1.103 146 L CA 1.634 56.045 54.840 -0.716 0.000 0.769 146 L CB -0.492 40.959 42.059 -1.014 0.000 0.908 146 L HN 0.628 nan 8.230 nan 0.000 0.438 147 W N -0.845 120.383 121.300 -0.120 0.000 2.584 147 W HA -0.081 4.578 4.660 -0.001 0.000 0.264 147 W C 2.204 178.655 176.519 -0.113 0.000 1.264 147 W CA -0.242 57.041 57.345 -0.102 0.000 1.306 147 W CB -0.309 29.113 29.460 -0.065 0.000 1.110 147 W HN 0.107 nan 8.180 nan 0.000 0.606 148 L N 0.205 121.436 121.223 0.012 0.000 2.156 148 L HA -0.046 4.294 4.340 -0.001 0.000 0.208 148 L C 1.917 178.701 176.870 -0.143 0.000 1.095 148 L CA 1.687 56.500 54.840 -0.045 0.000 0.770 148 L CB -0.813 41.210 42.059 -0.059 0.000 0.914 148 L HN -0.119 nan 8.230 nan 0.000 0.439 149 V N -0.388 119.392 119.914 -0.223 0.000 2.488 149 V HA -0.178 3.942 4.120 -0.001 0.000 0.246 149 V C 2.471 178.347 176.094 -0.362 0.000 1.046 149 V CA 1.111 63.193 62.300 -0.363 0.000 1.053 149 V CB -0.431 31.147 31.823 -0.407 0.000 0.679 149 V HN 0.315 nan 8.190 nan 0.000 0.458 150 I N 0.076 120.508 120.570 -0.229 0.000 2.233 150 I HA -0.127 4.042 4.170 -0.001 0.000 0.243 150 I C 2.632 178.687 176.117 -0.104 0.000 1.093 150 I CA 1.537 62.751 61.300 -0.144 0.000 1.380 150 I CB -1.131 36.869 38.000 0.000 0.000 1.067 150 I HN 0.266 nan 8.210 nan 0.000 0.413 151 R N 0.486 120.958 120.500 -0.047 0.000 2.073 151 R HA -0.156 4.183 4.340 -0.001 0.000 0.234 151 R C 2.347 178.581 176.300 -0.110 0.000 1.134 151 R CA 2.275 58.348 56.100 -0.046 0.000 0.952 151 R CB -0.533 29.764 30.300 -0.006 0.000 0.850 151 R HN 0.543 nan 8.270 nan 0.000 0.433 152 T N -1.452 113.011 114.554 -0.152 0.000 2.915 152 T HA -0.097 4.253 4.350 -0.001 0.000 0.269 152 T C 1.897 176.441 174.700 -0.260 0.000 1.071 152 T CA 0.941 62.932 62.100 -0.182 0.000 1.132 152 T CB -0.065 68.694 68.868 -0.182 0.000 0.878 152 T HN 0.100 nan 8.240 nan 0.000 0.479 153 M N 0.721 120.118 119.600 -0.337 0.000 2.099 153 M HA -0.074 4.406 4.480 -0.001 0.000 0.262 153 M C 2.794 178.897 176.300 -0.329 0.000 1.067 153 M CA 1.742 56.781 55.300 -0.435 0.000 1.124 153 M CB -0.313 32.018 32.600 -0.448 0.000 1.353 153 M HN 0.315 nan 8.290 nan 0.000 0.410 154 Q N -0.307 119.369 119.800 -0.206 0.000 1.993 154 Q HA -0.190 4.149 4.340 -0.001 0.000 0.202 154 Q C 2.068 177.990 176.000 -0.130 0.000 0.984 154 Q CA 1.312 57.035 55.803 -0.134 0.000 0.837 154 Q CB -0.092 28.600 28.738 -0.077 0.000 0.902 154 Q HN 0.387 nan 8.270 nan 0.000 0.423 155 E N 0.662 120.789 120.200 -0.122 0.000 2.000 155 E HA -0.188 4.161 4.350 -0.001 0.000 0.199 155 E C 2.055 178.586 176.600 -0.114 0.000 1.011 155 E CA 1.362 57.702 56.400 -0.100 0.000 0.836 155 E CB -0.212 29.435 29.700 -0.087 0.000 0.778 155 E HN 0.284 nan 8.360 nan 0.000 0.462 156 R N 0.154 120.570 120.500 -0.141 0.000 2.073 156 R HA -0.031 4.309 4.340 -0.001 0.000 0.234 156 R C 2.506 178.698 176.300 -0.180 0.000 1.134 156 R CA 1.116 57.134 56.100 -0.136 0.000 0.952 156 R CB -0.293 29.930 30.300 -0.128 0.000 0.850 156 R HN 0.177 nan 8.270 nan 0.000 0.433 157 L N -0.749 120.282 121.223 -0.319 0.000 2.585 157 L HA 0.293 4.632 4.340 -0.001 0.000 0.226 157 L C 1.049 177.738 176.870 -0.302 0.000 1.113 157 L CA 0.181 54.728 54.840 -0.487 0.000 0.876 157 L CB 0.054 41.402 42.059 -1.185 0.000 1.072 157 L HN 0.371 nan 8.230 nan 0.000 0.468 158 G N 1.113 109.798 108.800 -0.191 0.000 2.341 158 G HA2 -0.342 3.617 3.960 -0.001 0.000 0.292 158 G HA3 -0.342 3.617 3.960 -0.001 0.000 0.292 158 G C 1.006 175.891 174.900 -0.026 0.000 1.021 158 G CA 0.539 45.594 45.100 -0.075 0.000 0.905 158 G HN 0.492 nan 8.290 nan 0.000 0.508 159 A N -0.242 122.508 122.820 -0.118 0.000 2.067 159 A HA 0.409 4.729 4.320 -0.001 0.000 0.217 159 A C 1.802 179.448 177.584 0.103 0.000 1.156 159 A CA 1.680 53.744 52.037 0.046 0.000 0.683 159 A CB -0.130 18.755 19.000 -0.191 0.000 0.808 159 A HN 1.624 nan 8.150 nan 0.000 0.455 160 R N -1.022 119.495 120.500 0.029 0.000 3.205 160 R HA -0.119 4.221 4.340 -0.001 0.000 0.249 160 R C -2.402 173.929 176.300 0.053 0.000 0.937 160 R CA 0.496 56.623 56.100 0.044 0.000 0.641 160 R CB -1.532 28.813 30.300 0.074 0.000 1.114 160 R HN 0.414 nan 8.270 nan 0.000 0.451 161 P HA 0.115 nan 4.420 nan 0.000 0.271 161 P C -0.556 176.749 177.300 0.009 0.000 1.244 161 P CA -0.134 62.975 63.100 0.015 0.000 0.793 161 P CB 1.096 32.774 31.700 -0.036 0.000 0.984 162 V N 1.003 120.900 119.914 -0.028 0.000 2.655 162 V HA 0.168 4.288 4.120 -0.001 0.000 0.301 162 V C -0.681 175.357 176.094 -0.094 0.000 1.082 162 V CA -0.898 61.383 62.300 -0.032 0.000 0.899 162 V CB 1.899 33.696 31.823 -0.044 0.000 1.014 162 V HN 0.215 nan 8.190 nan 0.000 0.429 163 V N 9.158 129.065 119.914 -0.013 0.000 2.409 163 V HA 0.078 4.198 4.120 -0.001 0.000 0.270 163 V C 1.302 177.336 176.094 -0.100 0.000 1.019 163 V CA 0.306 62.562 62.300 -0.073 0.000 1.066 163 V CB 0.818 32.654 31.823 0.020 0.000 1.021 163 V HN 0.912 nan 8.190 nan 0.000 0.476 164 M N 3.641 123.086 119.600 -0.258 0.000 2.510 164 M HA 0.202 4.682 4.480 -0.001 0.000 0.256 164 M C 0.562 176.828 176.300 -0.057 0.000 1.132 164 M CA 0.715 55.868 55.300 -0.243 0.000 1.105 164 M CB -0.394 31.780 32.600 -0.710 0.000 1.375 164 M HN 0.880 nan 8.290 nan 0.000 0.477 165 Q N -0.399 119.353 119.800 -0.080 0.000 2.647 165 Q HA 0.598 4.937 4.340 -0.001 0.000 0.283 165 Q C -1.596 174.358 176.000 -0.077 0.000 0.943 165 Q CA -0.943 54.867 55.803 0.011 0.000 0.813 165 Q CB 1.687 30.497 28.738 0.119 0.000 1.477 165 Q HN -0.105 nan 8.270 nan 0.000 0.393 166 L N 1.406 122.614 121.223 -0.025 0.000 2.330 166 L HA 0.729 5.069 4.340 -0.001 0.000 0.271 166 L C -2.289 174.571 176.870 -0.017 0.000 1.013 166 L CA -2.013 52.788 54.840 -0.065 0.000 0.816 166 L CB 0.958 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 0.449 nan 4.420 nan 0.000 0.280 167 P C -1.000 176.290 177.300 -0.017 0.000 1.272 167 P CA -0.500 62.687 63.100 0.144 0.000 0.819 167 P CB 1.971 33.716 31.700 0.076 0.000 1.122 168 I N 0.173 120.788 120.570 0.075 0.000 2.439 168 I HA 0.534 4.704 4.170 -0.001 0.000 0.283 168 I C 0.321 176.524 176.117 0.143 0.000 1.023 168 I CA -0.156 61.044 61.300 -0.167 0.000 1.100 168 I CB 1.164 39.021 38.000 -0.239 0.000 1.238 168 I HN 0.711 nan 8.210 nan 0.000 0.445 169 G N 4.665 113.618 108.800 0.257 0.000 2.663 169 G HA2 -0.171 3.789 3.960 -0.001 0.000 0.686 169 G HA3 -0.171 3.789 3.960 -0.001 0.000 0.686 169 G C -0.343 174.735 174.900 0.297 0.000 1.246 169 G CA -0.135 45.126 45.100 0.268 0.000 0.795 169 G HN 0.779 nan 8.290 nan 0.000 0.627 170 R N -0.073 120.557 120.500 0.216 0.000 2.144 170 R HA 0.454 4.794 4.340 -0.001 0.000 0.195 170 R C 1.759 178.112 176.300 0.089 0.000 1.077 170 R CA 1.723 57.909 56.100 0.143 0.000 1.120 170 R CB 0.145 30.514 30.300 0.116 0.000 1.060 170 R HN 0.615 nan 8.270 nan 0.000 0.520 171 E N -0.233 120.030 120.200 0.104 0.000 3.076 171 E HA 0.026 4.375 4.350 -0.001 0.000 0.279 171 E C 0.620 177.289 176.600 0.114 0.000 0.945 171 E CA 0.519 56.961 56.400 0.070 0.000 1.046 171 E CB 0.293 30.021 29.700 0.045 0.000 2.828 171 E HN 0.325 nan 8.360 nan 0.000 0.582 172 D N 0.309 120.765 120.400 0.093 0.000 2.348 172 D HA -0.102 4.537 4.640 -0.001 0.000 0.216 172 D C 1.206 177.574 176.300 0.113 0.000 0.970 172 D CA 1.232 55.288 54.000 0.094 0.000 0.889 172 D CB -0.252 40.586 40.800 0.064 0.000 0.912 172 D HN 0.292 nan 8.370 nan 0.000 0.524 173 T N -2.296 112.335 114.554 0.128 0.000 3.188 173 T HA 0.111 4.460 4.350 -0.001 0.000 0.250 173 T C 0.295 175.097 174.700 0.172 0.000 1.077 173 T CA -0.839 61.337 62.100 0.127 0.000 0.967 173 T CB -0.971 67.967 68.868 0.117 0.000 1.006 173 T HN 0.026 nan 8.240 nan 0.000 0.552 174 F N 3.814 123.790 119.950 0.044 0.000 2.471 174 F HA 0.470 4.997 4.527 -0.001 0.000 0.365 174 F C 0.946 176.781 175.800 0.059 0.000 1.095 174 F CA -1.174 56.850 58.000 0.039 0.000 1.174 174 F CB 0.767 39.773 39.000 0.009 0.000 1.105 174 F HN 0.197 nan 8.300 nan 0.000 0.535 175 S N 2.713 118.139 115.700 -0.457 0.000 2.679 175 S HA 0.548 5.017 4.470 -0.001 0.000 0.258 175 S C 0.389 174.830 174.600 -0.265 0.000 1.068 175 S CA 0.099 58.095 58.200 -0.340 0.000 1.115 175 S CB 0.127 63.276 63.200 -0.086 0.000 1.078 175 S HN 0.930 nan 8.310 nan 0.000 0.603 176 G N 0.754 109.338 108.800 -0.361 0.000 2.677 176 G HA2 0.679 4.639 3.960 -0.001 0.000 0.291 176 G HA3 0.679 4.639 3.960 -0.001 0.000 0.291 176 G C -1.795 173.126 174.900 0.036 0.000 1.435 176 G CA -0.841 44.222 45.100 -0.063 0.000 0.826 176 G HN 0.255 nan 8.290 nan 0.000 0.491 177 I N 0.577 121.271 120.570 0.206 0.000 2.509 177 I HA 0.435 4.605 4.170 -0.001 0.000 0.293 177 I C -0.538 175.710 176.117 0.218 0.000 1.020 177 I CA -0.820 60.633 61.300 0.254 0.000 1.088 177 I CB 2.374 40.588 38.000 0.357 0.000 1.267 177 I HN 0.196 nan 8.210 nan 0.000 0.430 178 I N 4.481 125.134 120.570 0.138 0.000 2.312 178 I HA 0.160 4.330 4.170 -0.001 0.000 0.290 178 I C -0.171 176.051 176.117 0.176 0.000 1.008 178 I CA -0.437 60.933 61.300 0.117 0.000 1.226 178 I CB 1.163 39.195 38.000 0.053 0.000 1.371 178 I HN 0.527 nan 8.210 nan 0.000 0.468 179 D N 6.588 127.126 120.400 0.230 0.000 2.339 179 D HA 0.048 4.687 4.640 -0.001 0.000 0.256 179 D C 0.887 177.309 176.300 0.204 0.000 1.214 179 D CA -0.161 53.992 54.000 0.256 0.000 0.877 179 D CB 1.686 42.681 40.800 0.324 0.000 1.111 179 D HN 0.397 nan 8.370 nan 0.000 0.478 180 V N 2.815 122.850 119.914 0.202 0.000 3.649 180 V HA 0.017 4.137 4.120 -0.001 0.000 0.275 180 V C 1.686 177.984 176.094 0.340 0.000 1.281 180 V CA 0.027 62.472 62.300 0.242 0.000 1.143 180 V CB -0.131 31.837 31.823 0.242 0.000 0.892 180 V HN 0.442 nan 8.190 nan 0.000 0.441 181 L N 1.429 122.821 121.223 0.282 0.000 2.162 181 L HA 0.271 4.611 4.340 -0.001 0.000 0.205 181 L C 2.324 179.390 176.870 0.326 0.000 1.086 181 L CA 1.620 56.636 54.840 0.293 0.000 0.778 181 L CB -0.735 41.463 42.059 0.232 0.000 0.928 181 L HN 0.270 nan 8.230 nan 0.000 0.446 182 R N -0.918 119.727 120.500 0.242 0.000 2.362 182 R HA 0.255 4.594 4.340 -0.001 0.000 0.227 182 R C -0.097 176.259 176.300 0.092 0.000 0.905 182 R CA -0.185 56.015 56.100 0.167 0.000 1.067 182 R CB 0.122 30.517 30.300 0.158 0.000 1.078 182 R HN 0.148 nan 8.270 nan 0.000 0.516 183 M N 2.320 121.979 119.600 0.098 0.000 2.917 183 M HA -0.195 4.284 4.480 -0.001 0.000 0.176 183 M C -0.641 175.660 176.300 0.003 0.000 1.181 183 M CA 1.421 56.737 55.300 0.027 0.000 0.723 183 M CB -1.731 30.820 32.600 -0.081 0.000 1.207 183 M HN 0.349 nan 8.290 nan 0.000 0.761 184 K N -0.397 120.005 120.400 0.004 0.000 2.532 184 K HA 0.934 5.253 4.320 -0.001 0.000 0.265 184 K C -1.074 175.429 176.600 -0.163 0.000 0.948 184 K CA -0.480 55.743 56.287 -0.107 0.000 0.842 184 K CB 2.439 34.853 32.500 -0.143 0.000 1.392 184 K HN 0.229 nan 8.250 nan 0.000 0.436 185 A N 1.404 124.042 122.820 -0.303 0.000 2.346 185 A HA 0.801 5.120 4.320 -0.001 0.000 0.313 185 A C -1.791 175.443 177.584 -0.583 0.000 1.140 185 A CA -0.756 51.127 52.037 -0.257 0.000 0.826 185 A CB 0.848 19.771 19.000 -0.129 0.000 1.332 185 A HN 0.630 nan 8.150 nan 0.000 0.457 186 Y N -0.953 119.303 120.300 -0.075 0.000 2.433 186 Y HA 0.571 5.121 4.550 -0.001 0.000 0.337 186 Y C 0.317 176.043 175.900 -0.290 0.000 1.026 186 Y CA -0.279 57.704 58.100 -0.195 0.000 1.037 186 Y CB 2.555 40.897 38.460 -0.197 0.000 1.245 186 Y HN 0.709 nan 8.280 nan 0.000 0.443 187 T N 2.310 116.722 114.554 -0.237 0.000 2.912 187 T HA 0.629 4.979 4.350 -0.001 0.000 0.288 187 T C -1.739 172.716 174.700 -0.408 0.000 1.030 187 T CA -0.509 61.460 62.100 -0.218 0.000 1.020 187 T CB 0.574 69.384 68.868 -0.096 0.000 1.056 187 T HN 0.423 nan 8.240 nan 0.000 0.480 188 Y N 2.181 122.463 120.300 -0.030 0.000 2.345 188 Y HA 0.425 4.975 4.550 -0.001 0.000 0.331 188 Y C 1.408 177.307 175.900 -0.003 0.000 0.959 188 Y CA -0.756 57.340 58.100 -0.007 0.000 1.204 188 Y CB 1.615 40.054 38.460 -0.035 0.000 1.135 188 Y HN 0.853 nan 8.280 nan 0.000 0.477 189 G N 2.967 111.837 108.800 0.116 0.000 2.469 189 G HA2 -0.217 3.742 3.960 -0.001 0.000 0.220 189 G HA3 -0.217 3.742 3.960 -0.001 0.000 0.220 189 G C 0.324 175.279 174.900 0.092 0.000 1.136 189 G CA 1.016 46.166 45.100 0.083 0.000 0.759 189 G HN 0.746 nan 8.290 nan 0.000 0.562 190 N N -1.980 116.794 118.700 0.123 0.000 3.204 190 N HA 0.236 4.976 4.740 -0.001 0.000 0.285 190 N C -1.276 174.290 175.510 0.094 0.000 1.536 190 N CA -0.696 52.410 53.050 0.092 0.000 0.832 190 N CB 0.908 39.440 38.487 0.075 0.000 1.645 190 N HN -0.237 nan 8.380 nan 0.000 0.586 191 D N 0.110 120.545 120.400 0.059 0.000 2.370 191 D HA 0.234 4.873 4.640 -0.001 0.000 0.230 191 D C 0.671 176.994 176.300 0.039 0.000 1.143 191 D CA 0.217 54.241 54.000 0.040 0.000 0.834 191 D CB 0.002 40.819 40.800 0.028 0.000 0.944 191 D HN 0.387 nan 8.370 nan 0.000 0.504 192 L N -1.008 120.253 121.223 0.063 0.000 2.766 192 L HA 0.287 4.627 4.340 -0.001 0.000 0.242 192 L C 1.175 178.104 176.870 0.098 0.000 1.136 192 L CA -0.220 54.644 54.840 0.040 0.000 0.933 192 L CB 0.368 42.441 42.059 0.023 0.000 1.241 192 L HN 0.024 nan 8.230 nan 0.000 0.522 193 G N 0.968 109.891 108.800 0.205 0.000 2.338 193 G HA2 -0.305 3.655 3.960 -0.001 0.000 0.296 193 G HA3 -0.305 3.655 3.960 -0.001 0.000 0.296 193 G C 0.496 175.595 174.900 0.333 0.000 1.040 193 G CA 0.868 46.201 45.100 0.389 0.000 1.004 193 G HN 0.286 nan 8.290 nan 0.000 0.509 194 T N -1.208 113.494 114.554 0.247 0.000 3.475 194 T HA 0.369 4.719 4.350 -0.001 0.000 0.310 194 T C -0.509 174.283 174.700 0.153 0.000 0.963 194 T CA 0.582 62.794 62.100 0.188 0.000 0.985 194 T CB 0.144 69.094 68.868 0.135 0.000 1.198 194 T HN 0.429 nan 8.240 nan 0.000 0.508 195 D N 1.644 122.150 120.400 0.177 0.000 2.634 195 D HA 0.171 4.810 4.640 -0.001 0.000 0.236 195 D C -1.292 175.069 176.300 0.102 0.000 1.323 195 D CA -0.342 53.729 54.000 0.119 0.000 0.884 195 D CB 0.229 41.087 40.800 0.097 0.000 1.496 195 D HN 0.199 nan 8.370 nan 0.000 0.525 196 I N 2.601 123.212 120.570 0.067 0.000 2.377 196 I HA 0.498 4.667 4.170 -0.001 0.000 0.293 196 I C -0.645 175.443 176.117 -0.049 0.000 0.987 196 I CA -0.496 60.761 61.300 -0.072 0.000 1.185 196 I CB 1.096 39.090 38.000 -0.011 0.000 1.341 196 I HN 0.290 nan 8.210 nan 0.000 0.455 197 R N 5.236 125.674 120.500 -0.103 0.000 2.514 197 R HA 0.264 4.604 4.340 -0.001 0.000 0.296 197 R C -0.661 175.602 176.300 -0.061 0.000 1.012 197 R CA -0.762 55.311 56.100 -0.045 0.000 0.897 197 R CB 1.894 32.164 30.300 -0.049 0.000 1.184 197 R HN 0.537 nan 8.270 nan 0.000 0.440 198 E N 5.448 125.617 120.200 -0.051 0.000 1.881 198 E HA 0.076 4.425 4.350 -0.001 0.000 0.264 198 E C -0.172 176.295 176.600 -0.221 0.000 1.243 198 E CA -0.305 55.944 56.400 -0.252 0.000 0.965 198 E CB 0.152 29.720 29.700 -0.219 0.000 1.055 198 E HN 0.494 nan 8.360 nan 0.000 0.412 199 I N 1.369 121.806 120.570 -0.222 0.000 2.566 199 I HA 0.589 4.758 4.170 -0.001 0.000 0.303 199 I C -2.408 173.619 176.117 -0.151 0.000 0.983 199 I CA -3.014 58.202 61.300 -0.140 0.000 1.235 199 I CB 1.213 39.158 38.000 -0.092 0.000 1.386 199 I HN 0.217 nan 8.210 nan 0.000 0.494 200 P HA 0.274 nan 4.420 nan 0.000 0.274 200 P C -0.452 176.821 177.300 -0.044 0.000 1.237 200 P CA -0.277 62.778 63.100 -0.074 0.000 0.793 200 P CB 0.549 32.223 31.700 -0.042 0.000 0.977 201 I N 3.148 123.704 120.570 -0.023 0.000 2.742 201 I HA -0.036 4.134 4.170 -0.001 0.000 0.287 201 I C -1.776 174.382 176.117 0.069 0.000 1.186 201 I CA -1.077 60.239 61.300 0.027 0.000 1.417 201 I CB -0.403 37.630 38.000 0.054 0.000 1.377 201 I HN 0.183 nan 8.210 nan 0.000 0.556 202 P HA -0.016 nan 4.420 nan 0.000 0.267 202 P C 0.518 177.909 177.300 0.152 0.000 1.209 202 P CA -0.143 63.043 63.100 0.143 0.000 0.763 202 P CB 0.580 32.415 31.700 0.225 0.000 0.816 203 E N 3.131 123.382 120.200 0.084 0.000 2.233 203 E HA -0.349 4.000 4.350 -0.001 0.000 0.210 203 E C 1.404 178.031 176.600 0.045 0.000 1.046 203 E CA 1.776 58.211 56.400 0.057 0.000 0.844 203 E CB -0.873 28.846 29.700 0.031 0.000 0.741 203 E HN 0.473 nan 8.360 nan 0.000 0.465 204 E N -0.772 119.441 120.200 0.022 0.000 2.333 204 E HA -0.159 4.191 4.350 -0.001 0.000 0.198 204 E C 0.443 176.884 176.600 -0.265 0.000 1.007 204 E CA 0.939 57.263 56.400 -0.128 0.000 0.845 204 E CB 0.043 29.623 29.700 -0.201 0.000 0.766 204 E HN 0.614 nan 8.360 nan 0.000 0.507 205 Y N -1.594 118.745 120.300 0.065 0.000 2.527 205 Y HA 0.056 4.606 4.550 -0.001 0.000 0.247 205 Y C 1.421 177.374 175.900 0.089 0.000 1.138 205 Y CA -0.386 57.767 58.100 0.089 0.000 1.228 205 Y CB 0.319 38.839 38.460 0.100 0.000 1.252 205 Y HN -0.026 nan 8.280 nan 0.000 0.531 206 L N 0.876 122.213 121.223 0.189 0.000 2.051 206 L HA -0.256 4.084 4.340 -0.001 0.000 0.214 206 L C 1.639 178.581 176.870 0.120 0.000 1.076 206 L CA 2.099 57.018 54.840 0.132 0.000 0.758 206 L CB -0.445 41.663 42.059 0.082 0.000 0.890 206 L HN 0.172 nan 8.230 nan 0.000 0.433 207 D N -1.282 119.178 120.400 0.101 0.000 2.123 207 D HA -0.218 4.421 4.640 -0.001 0.000 0.200 207 D C 2.026 178.406 176.300 0.133 0.000 0.976 207 D CA 1.248 55.302 54.000 0.090 0.000 0.831 207 D CB -0.033 40.800 40.800 0.054 0.000 0.974 207 D HN 0.567 nan 8.370 nan 0.000 0.469 208 Q N 0.568 120.479 119.800 0.185 0.000 2.124 208 Q HA -0.127 4.213 4.340 -0.001 0.000 0.202 208 Q C 2.079 178.301 176.000 0.371 0.000 0.977 208 Q CA 1.367 57.343 55.803 0.288 0.000 0.850 208 Q CB 0.023 28.962 28.738 0.335 0.000 0.901 208 Q HN 0.172 nan 8.270 nan 0.000 0.429 209 A N 1.182 124.178 122.820 0.294 0.000 1.865 209 A HA -0.215 4.104 4.320 -0.001 0.000 0.217 209 A C 2.045 179.793 177.584 0.272 0.000 1.191 209 A CA 1.588 53.792 52.037 0.278 0.000 0.623 209 A CB -0.556 18.562 19.000 0.196 0.000 0.826 209 A HN 0.353 nan 8.150 nan 0.000 0.444 210 R N -0.716 119.900 120.500 0.193 0.000 2.120 210 R HA -0.152 4.187 4.340 -0.001 0.000 0.234 210 R C 2.278 178.680 176.300 0.170 0.000 1.123 210 R CA 1.398 57.600 56.100 0.169 0.000 0.975 210 R CB -0.319 30.041 30.300 0.100 0.000 0.866 210 R HN 0.802 nan 8.270 nan 0.000 0.446 211 E N 0.100 120.375 120.200 0.124 0.000 2.047 211 E HA -0.197 4.153 4.350 -0.001 0.000 0.191 211 E C 1.343 177.877 176.600 -0.110 0.000 0.987 211 E CA 1.221 57.612 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 0.361 nan 8.360 nan 0.000 0.449 212 Y N -0.968 119.412 120.300 0.134 0.000 2.457 212 Y HA -0.090 4.460 4.550 -0.001 0.000 0.292 212 Y C 2.219 178.187 175.900 0.114 0.000 1.125 212 Y CA 1.457 59.632 58.100 0.125 0.000 1.254 212 Y CB -0.207 38.348 38.460 0.159 0.000 1.012 212 Y HN 0.294 nan 8.280 nan 0.000 0.555 213 H N -0.170 119.008 119.070 0.180 0.000 2.395 213 H HA -0.106 4.449 4.556 -0.001 0.000 0.299 213 H C 2.134 177.524 175.328 0.103 0.000 1.070 213 H CA 1.807 57.936 56.048 0.136 0.000 1.356 213 H CB 0.230 30.067 29.762 0.126 0.000 1.401 213 H HN 0.207 nan 8.280 nan 0.000 0.524 214 E N 0.810 121.089 120.200 0.131 0.000 2.051 214 E HA -0.131 4.218 4.350 -0.001 0.000 0.192 214 E C 2.037 178.643 176.600 0.011 0.000 0.991 214 E CA 1.449 57.922 56.400 0.123 0.000 0.799 214 E CB -0.027 29.760 29.700 0.145 0.000 0.748 214 E HN 0.442 nan 8.360 nan 0.000 0.449 215 K N -0.091 120.287 120.400 -0.036 0.000 2.097 215 K HA -0.106 4.214 4.320 -0.001 0.000 0.206 215 K C 2.273 178.813 176.600 -0.101 0.000 1.049 215 K CA 1.197 57.436 56.287 -0.081 0.000 0.933 215 K CB -0.236 32.193 32.500 -0.119 0.000 0.717 215 K HN 0.219 nan 8.250 nan 0.000 0.442 216 L N 0.705 121.876 121.223 -0.087 0.000 2.056 216 L HA -0.169 4.171 4.340 -0.001 0.000 0.207 216 L C 2.017 178.776 176.870 -0.186 0.000 1.078 216 L CA 0.960 55.737 54.840 -0.105 0.000 0.749 216 L CB -0.064 41.946 42.059 -0.082 0.000 0.901 216 L HN -0.064 nan 8.230 nan 0.000 0.433 217 V N 0.073 119.821 119.914 -0.277 0.000 2.343 217 V HA -0.317 3.803 4.120 -0.001 0.000 0.247 217 V C 2.446 178.263 176.094 -0.460 0.000 1.051 217 V CA 2.129 64.260 62.300 -0.282 0.000 1.036 217 V CB -0.619 31.100 31.823 -0.173 0.000 0.654 217 V HN 0.560 nan 8.190 nan 0.000 0.451 218 E N 0.236 120.046 120.200 -0.649 0.000 2.023 218 E HA -0.225 4.124 4.350 -0.001 0.000 0.196 218 E C 2.227 178.575 176.600 -0.419 0.000 1.003 218 E CA 2.125 58.019 56.400 -0.844 0.000 0.809 218 E CB -0.122 29.261 29.700 -0.528 0.000 0.755 218 E HN 0.400 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 -0.331 3.789 4.120 -0.001 0.000 0.250 219 V C 2.474 178.548 176.094 -0.033 0.000 1.060 219 V CA 2.019 64.258 62.300 -0.102 0.000 1.042 219 V CB -0.960 30.859 31.823 -0.005 0.000 0.650 219 V HN 0.469 nan 8.190 nan 0.000 0.450 220 A N -0.122 122.680 122.820 -0.029 0.000 1.972 220 A HA -0.041 4.278 4.320 -0.001 0.000 0.219 220 A C 2.373 179.962 177.584 0.008 0.000 1.169 220 A CA 1.793 53.876 52.037 0.076 0.000 0.635 220 A CB -0.665 18.349 19.000 0.022 0.000 0.810 220 A HN 0.611 nan 8.150 nan 0.000 0.446 221 A N -0.331 122.406 122.820 -0.140 0.000 2.067 221 A HA -0.117 4.202 4.320 -0.001 0.000 0.219 221 A C 1.477 178.946 177.584 -0.190 0.000 1.158 221 A CA 1.564 53.520 52.037 -0.135 0.000 0.661 221 A CB -0.407 18.480 19.000 -0.189 0.000 0.801 221 A HN 0.407 nan 8.150 nan 0.000 0.452 222 D N -1.511 118.673 120.400 -0.359 0.000 2.378 222 D HA 0.032 4.672 4.640 -0.001 0.000 0.227 222 D C 0.053 175.820 176.300 -0.888 0.000 1.012 222 D CA 0.761 54.378 54.000 -0.639 0.000 0.905 222 D CB -0.056 40.226 40.800 -0.863 0.000 0.895 222 D HN 0.531 nan 8.370 nan 0.000 0.532 223 F N -0.391 119.547 119.950 -0.019 0.000 2.781 223 F HA 0.238 4.764 4.527 -0.001 0.000 0.322 223 F C 0.082 175.886 175.800 0.007 0.000 1.108 223 F CA -0.638 57.360 58.000 -0.003 0.000 1.179 223 F CB 0.977 39.976 39.000 -0.002 0.000 1.072 223 F HN -0.321 nan 8.300 nan 0.000 0.545 224 D N 0.060 120.515 120.400 0.093 0.000 2.738 224 D HA 0.128 4.768 4.640 -0.001 0.000 0.218 224 D C 0.699 177.024 176.300 0.042 0.000 1.345 224 D CA 0.016 54.064 54.000 0.080 0.000 0.943 224 D CB 1.392 42.252 40.800 0.098 0.000 1.514 224 D HN -0.175 nan 8.370 nan 0.000 0.585 225 E N 2.159 122.381 120.200 0.037 0.000 2.150 225 E HA -0.068 4.281 4.350 -0.001 0.000 0.193 225 E C 1.109 177.733 176.600 0.040 0.000 0.985 225 E CA 0.725 57.142 56.400 0.030 0.000 0.814 225 E CB -0.003 29.713 29.700 0.026 0.000 0.752 225 E HN 0.614 nan 8.360 nan 0.000 0.466 226 N N 0.352 119.080 118.700 0.046 0.000 2.205 226 N HA -0.107 4.632 4.740 -0.001 0.000 0.186 226 N C 1.922 177.467 175.510 0.058 0.000 1.015 226 N CA 0.794 53.874 53.050 0.049 0.000 0.862 226 N CB -0.052 38.465 38.487 0.051 0.000 0.986 226 N HN 0.146 nan 8.380 nan 0.000 0.429 227 I N 0.088 120.695 120.570 0.061 0.000 2.400 227 I HA -0.137 4.032 4.170 -0.001 0.000 0.248 227 I C 2.343 178.514 176.117 0.089 0.000 1.109 227 I CA 0.469 61.813 61.300 0.072 0.000 1.425 227 I CB -0.048 37.987 38.000 0.058 0.000 1.094 227 I HN 0.123 nan 8.210 nan 0.000 0.425 228 M N 1.222 120.861 119.600 0.064 0.000 2.106 228 M HA -0.219 4.261 4.480 -0.001 0.000 0.259 228 M C 2.097 178.461 176.300 0.107 0.000 1.068 228 M CA 1.998 57.349 55.300 0.084 0.000 1.100 228 M CB -0.510 32.112 32.600 0.036 0.000 1.351 228 M HN 0.112 nan 8.290 nan 0.000 0.404 229 L N -0.519 120.747 121.223 0.072 0.000 1.989 229 L HA -0.289 4.050 4.340 -0.001 0.000 0.211 229 L C 2.415 179.323 176.870 0.063 0.000 1.071 229 L CA 1.707 56.580 54.840 0.055 0.000 0.749 229 L CB -0.796 41.288 42.059 0.042 0.000 0.890 229 L HN 0.319 nan 8.230 nan 0.000 0.431 230 K N -1.045 119.403 120.400 0.080 0.000 2.026 230 K HA -0.245 4.075 4.320 -0.001 0.000 0.208 230 K C 2.153 178.815 176.600 0.104 0.000 1.048 230 K CA 1.644 57.981 56.287 0.082 0.000 0.929 230 K CB -0.491 32.065 32.500 0.093 0.000 0.713 230 K HN 0.126 nan 8.250 nan 0.000 0.439 231 Y N 1.927 122.235 120.300 0.013 0.000 2.114 231 Y HA -0.272 4.277 4.550 -0.001 0.000 0.282 231 Y C 1.932 177.834 175.900 0.003 0.000 1.165 231 Y CA 1.352 59.456 58.100 0.007 0.000 1.148 231 Y CB -0.395 38.061 38.460 -0.006 0.000 0.972 231 Y HN -0.097 nan 8.280 nan 0.000 0.504 232 L N 0.361 121.558 121.223 -0.042 0.000 2.046 232 L HA -0.193 4.146 4.340 -0.001 0.000 0.208 232 L C 2.330 179.129 176.870 -0.119 0.000 1.077 232 L CA 2.022 56.792 54.840 -0.116 0.000 0.747 232 L CB -1.311 40.740 42.059 -0.013 0.000 0.896 232 L HN 0.194 nan 8.230 nan 0.000 0.432 233 E N -0.565 119.602 120.200 -0.056 0.000 2.472 233 E HA -0.009 4.340 4.350 -0.001 0.000 0.200 233 E C 1.541 178.106 176.600 -0.058 0.000 1.046 233 E CA 0.766 57.142 56.400 -0.040 0.000 0.871 233 E CB -0.337 29.360 29.700 -0.006 0.000 0.806 233 E HN 0.473 nan 8.360 nan 0.000 0.533 234 G N 0.527 109.265 108.800 -0.105 0.000 2.162 234 G HA2 -0.389 3.570 3.960 -0.001 0.000 0.260 234 G HA3 -0.389 3.570 3.960 -0.001 0.000 0.260 234 G C 0.198 175.087 174.900 -0.017 0.000 0.976 234 G CA 0.498 45.540 45.100 -0.096 0.000 0.655 234 G HN 0.428 nan 8.290 nan 0.000 0.533 235 E N 0.043 120.249 120.200 0.010 0.000 2.392 235 E HA 0.456 4.806 4.350 -0.001 0.000 0.256 235 E C -0.017 176.637 176.600 0.089 0.000 1.145 235 E CA -0.412 56.016 56.400 0.045 0.000 0.929 235 E CB 0.379 30.105 29.700 0.043 0.000 0.998 235 E HN 0.142 nan 8.360 nan 0.000 0.442 236 E N 3.167 123.423 120.200 0.093 0.000 2.092 236 E HA 0.261 4.610 4.350 -0.001 0.000 0.271 236 E C -2.328 174.345 176.600 0.122 0.000 0.919 236 E CA -2.291 54.188 56.400 0.131 0.000 0.760 236 E CB 0.914 30.681 29.700 0.112 0.000 1.106 236 E HN 0.201 nan 8.360 nan 0.000 0.408 237 P HA 0.106 nan 4.420 nan 0.000 0.274 237 P C -0.261 177.109 177.300 0.116 0.000 1.237 237 P CA -0.505 62.664 63.100 0.114 0.000 0.793 237 P CB 0.865 32.630 31.700 0.109 0.000 0.977 238 T N 1.191 115.802 114.554 0.095 0.000 2.919 238 T HA 0.010 4.360 4.350 -0.001 0.000 0.302 238 T C 1.508 176.270 174.700 0.104 0.000 1.031 238 T CA 0.006 62.159 62.100 0.089 0.000 1.127 238 T CB 0.110 69.021 68.868 0.072 0.000 0.952 238 T HN 0.359 nan 8.240 nan 0.000 0.540 239 E N 2.294 122.558 120.200 0.106 0.000 2.070 239 E HA -0.222 4.128 4.350 -0.001 0.000 0.197 239 E C 1.854 178.521 176.600 0.112 0.000 1.004 239 E CA 1.566 58.038 56.400 0.121 0.000 0.805 239 E CB 0.043 29.810 29.700 0.112 0.000 0.744 239 E HN 0.642 nan 8.360 nan 0.000 0.451 240 E N 0.807 121.059 120.200 0.088 0.000 2.160 240 E HA -0.187 4.163 4.350 -0.001 0.000 0.195 240 E C 1.776 178.429 176.600 0.087 0.000 0.991 240 E CA 1.063 57.510 56.400 0.078 0.000 0.810 240 E CB -0.065 29.671 29.700 0.060 0.000 0.742 240 E HN 0.338 nan 8.360 nan 0.000 0.466 241 E N 0.148 120.401 120.200 0.089 0.000 2.028 241 E HA -0.096 4.254 4.350 -0.001 0.000 0.190 241 E C 2.106 178.768 176.600 0.103 0.000 0.984 241 E CA 0.712 57.165 56.400 0.089 0.000 0.800 241 E CB -0.134 29.616 29.700 0.083 0.000 0.758 241 E HN 0.188 nan 8.360 nan 0.000 0.448 242 L N 0.730 122.020 121.223 0.111 0.000 1.989 242 L HA -0.218 4.121 4.340 -0.001 0.000 0.211 242 L C 2.545 179.509 176.870 0.156 0.000 1.071 242 L CA 0.922 55.831 54.840 0.115 0.000 0.749 242 L CB -0.604 41.524 42.059 0.114 0.000 0.890 242 L HN 0.066 nan 8.230 nan 0.000 0.431 243 V N 0.110 120.144 119.914 0.200 0.000 2.392 243 V HA -0.326 3.793 4.120 -0.001 0.000 0.249 243 V C 2.658 178.914 176.094 0.271 0.000 1.059 243 V CA 1.921 64.405 62.300 0.308 0.000 1.051 243 V CB -0.849 31.090 31.823 0.194 0.000 0.658 243 V HN 0.517 nan 8.190 nan 0.000 0.455 244 A N -0.570 122.346 122.820 0.160 0.000 1.930 244 A HA 0.122 4.442 4.320 -0.001 0.000 0.215 244 A C 2.361 180.007 177.584 0.105 0.000 1.176 244 A CA 1.519 53.629 52.037 0.122 0.000 0.632 244 A CB -0.499 18.555 19.000 0.089 0.000 0.819 244 A HN 0.531 nan 8.150 nan 0.000 0.445 245 A N -0.057 122.829 122.820 0.109 0.000 1.897 245 A HA 0.042 4.362 4.320 -0.001 0.000 0.215 245 A C 1.966 179.556 177.584 0.010 0.000 1.181 245 A CA 1.307 53.409 52.037 0.109 0.000 0.620 245 A CB -0.404 18.698 19.000 0.170 0.000 0.821 245 A HN 0.358 nan 8.150 nan 0.000 0.443 246 I N -0.134 120.446 120.570 0.016 0.000 2.286 246 I HA -0.198 3.972 4.170 -0.001 0.000 0.248 246 I C 2.530 178.551 176.117 -0.159 0.000 1.115 246 I CA 1.631 62.847 61.300 -0.140 0.000 1.392 246 I CB -1.036 36.794 38.000 -0.282 0.000 1.065 246 I HN 0.456 nan 8.210 nan 0.000 0.418 247 R N 1.308 121.858 120.500 0.083 0.000 2.070 247 R HA -0.222 4.117 4.340 -0.001 0.000 0.233 247 R C 2.376 178.651 176.300 -0.042 0.000 1.137 247 R CA 1.848 58.039 56.100 0.152 0.000 0.945 247 R CB -0.201 30.230 30.300 0.217 0.000 0.845 247 R HN 0.188 nan 8.270 nan 0.000 0.430 248 K N -0.560 119.790 120.400 -0.084 0.000 2.034 248 K HA -0.167 4.153 4.320 -0.001 0.000 0.214 248 K C 1.958 178.337 176.600 -0.369 0.000 1.051 248 K CA 2.041 58.238 56.287 -0.150 0.000 0.931 248 K CB -0.555 31.894 32.500 -0.086 0.000 0.715 248 K HN 0.378 nan 8.250 nan 0.000 0.446 249 G N -0.321 108.021 108.800 -0.764 0.000 2.421 249 G HA2 -0.235 3.725 3.960 -0.001 0.000 0.216 249 G HA3 -0.235 3.725 3.960 -0.001 0.000 0.216 249 G C 1.427 176.046 174.900 -0.469 0.000 1.171 249 G CA 1.410 45.811 45.100 -1.165 0.000 0.775 249 G HN 0.384 nan 8.290 nan 0.000 0.543 250 T N 1.282 115.664 114.554 -0.287 0.000 2.788 250 T HA -0.039 4.310 4.350 -0.001 0.000 0.268 250 T C 2.290 176.940 174.700 -0.083 0.000 1.044 250 T CA 0.922 62.946 62.100 -0.126 0.000 1.139 250 T CB -0.124 68.715 68.868 -0.047 0.000 0.867 250 T HN 0.263 nan 8.240 nan 0.000 0.454 251 I N 0.808 121.327 120.570 -0.084 0.000 3.059 251 I HA -0.028 4.142 4.170 -0.001 0.000 0.270 251 I C 1.267 177.351 176.117 -0.055 0.000 1.238 251 I CA 0.757 62.026 61.300 -0.051 0.000 1.478 251 I CB -0.113 37.869 38.000 -0.029 0.000 1.097 251 I HN 0.043 nan 8.210 nan 0.000 0.455 252 D N 0.513 120.860 120.400 -0.089 0.000 2.339 252 D HA 0.128 4.768 4.640 -0.001 0.000 0.217 252 D C 0.648 176.935 176.300 -0.021 0.000 1.050 252 D CA 0.142 54.112 54.000 -0.049 0.000 0.856 252 D CB 0.455 41.221 40.800 -0.056 0.000 0.922 252 D HN -0.062 nan 8.370 nan 0.000 0.518 253 L N 0.021 121.225 121.223 -0.032 0.000 3.865 253 L HA -0.244 4.096 4.340 -0.001 0.000 0.408 253 L C 1.113 178.009 176.870 0.043 0.000 1.209 253 L CA 0.630 55.470 54.840 0.001 0.000 0.940 253 L CB -1.465 40.597 42.059 0.006 0.000 1.971 253 L HN 0.070 nan 8.230 nan 0.000 0.899 254 K N -0.465 119.953 120.400 0.030 0.000 2.370 254 K HA 0.492 4.812 4.320 -0.001 0.000 0.194 254 K C 0.786 177.469 176.600 0.138 0.000 1.070 254 K CA 0.767 57.126 56.287 0.121 0.000 0.998 254 K CB 1.144 33.789 32.500 0.242 0.000 0.911 254 K HN 0.673 nan 8.250 nan 0.000 0.533 255 I N -3.203 117.401 120.570 0.057 0.000 3.195 255 I HA 0.449 4.618 4.170 -0.001 0.000 0.313 255 I C -1.305 174.848 176.117 0.060 0.000 1.237 255 I CA -0.837 60.506 61.300 0.071 0.000 0.963 255 I CB 2.620 40.650 38.000 0.050 0.000 1.278 255 I HN -0.307 nan 8.210 nan 0.000 0.460 256 T N 2.471 117.073 114.554 0.081 0.000 3.008 256 T HA 0.443 4.793 4.350 -0.001 0.000 0.328 256 T C -2.744 171.977 174.700 0.035 0.000 1.020 256 T CA -0.903 61.267 62.100 0.116 0.000 1.043 256 T CB 1.341 70.385 68.868 0.293 0.000 1.010 256 T HN 0.390 nan 8.240 nan 0.000 0.466 257 P HA 0.246 nan 4.420 nan 0.000 0.268 257 P C -0.855 176.308 177.300 -0.228 0.000 1.205 257 P CA -0.309 62.658 63.100 -0.221 0.000 0.771 257 P CB 0.618 32.212 31.700 -0.177 0.000 0.858 258 V N 4.761 124.385 119.914 -0.483 0.000 2.444 258 V HA 0.455 4.574 4.120 -0.001 0.000 0.294 258 V C -0.329 175.443 176.094 -0.537 0.000 1.022 258 V CA -0.302 61.818 62.300 -0.300 0.000 0.850 258 V CB 0.669 32.388 31.823 -0.173 0.000 0.992 258 V HN 0.351 nan 8.190 nan 0.000 0.426 259 F N 5.159 125.189 119.950 0.133 0.000 2.575 259 F HA 0.823 5.349 4.527 -0.001 0.000 0.330 259 F C -0.064 175.843 175.800 0.178 0.000 1.056 259 F CA -1.050 57.051 58.000 0.169 0.000 0.964 259 F CB 1.725 40.859 39.000 0.224 0.000 1.258 259 F HN 0.324 nan 8.300 nan 0.000 0.484 260 L N -0.084 121.323 121.223 0.306 0.000 2.277 260 L HA 1.105 5.445 4.340 -0.001 0.000 0.254 260 L C -0.412 176.589 176.870 0.218 0.000 1.044 260 L CA -0.736 54.116 54.840 0.021 0.000 0.842 260 L CB 1.199 43.147 42.059 -0.184 0.000 1.422 260 L HN 0.822 nan 8.230 nan 0.000 0.422 261 G N -0.242 108.497 108.800 -0.101 0.000 2.327 261 G HA2 0.387 4.347 3.960 -0.001 0.000 0.291 261 G HA3 0.387 4.347 3.960 -0.001 0.000 0.291 261 G C -1.789 173.112 174.900 0.002 0.000 1.290 261 G CA 0.074 45.295 45.100 0.203 0.000 0.857 261 G HN 1.022 nan 8.290 nan 0.000 0.520 262 S N -0.684 115.144 115.700 0.213 0.000 2.774 262 S HA 0.638 5.108 4.470 -0.001 0.000 0.297 262 S C 1.142 175.842 174.600 0.167 0.000 1.143 262 S CA 0.824 59.098 58.200 0.123 0.000 1.090 262 S CB 0.968 64.268 63.200 0.166 0.000 1.019 262 S HN 1.986 nan 8.310 nan 0.000 0.482 263 A N 5.013 127.949 122.820 0.193 0.000 1.858 263 A HA 0.018 4.338 4.320 -0.001 0.000 0.216 263 A C 1.945 179.589 177.584 0.099 0.000 1.190 263 A CA 1.401 53.543 52.037 0.175 0.000 0.617 263 A CB -0.970 18.136 19.000 0.177 0.000 0.827 263 A HN 0.852 nan 8.150 nan 0.000 0.443 264 L N -1.079 120.184 121.223 0.067 0.000 2.079 264 L HA -0.125 4.214 4.340 -0.001 0.000 0.210 264 L C 1.124 178.014 176.870 0.033 0.000 1.081 264 L CA 1.323 56.184 54.840 0.036 0.000 0.752 264 L CB -0.089 41.984 42.059 0.024 0.000 0.896 264 L HN 0.153 nan 8.230 nan 0.000 0.433 265 K N 0.631 121.059 120.400 0.047 0.000 2.520 265 K HA 0.108 4.428 4.320 -0.001 0.000 0.205 265 K C -0.062 176.546 176.600 0.013 0.000 1.035 265 K CA -0.137 56.171 56.287 0.034 0.000 1.188 265 K CB -0.508 32.023 32.500 0.053 0.000 0.894 265 K HN 0.302 nan 8.250 nan 0.000 0.497 266 N N 2.057 120.787 118.700 0.049 0.000 2.699 266 N HA -0.217 4.523 4.740 -0.001 0.000 0.256 266 N C -0.953 174.489 175.510 -0.114 0.000 0.993 266 N CA 1.067 54.177 53.050 0.100 0.000 0.759 266 N CB -0.701 37.890 38.487 0.173 0.000 0.906 266 N HN 0.355 nan 8.380 nan 0.000 0.541 267 K N -0.282 119.978 120.400 -0.232 0.000 2.471 267 K HA 0.454 4.773 4.320 -0.001 0.000 0.252 267 K C 0.992 177.439 176.600 -0.255 0.000 0.938 267 K CA -0.029 55.830 56.287 -0.714 0.000 0.796 267 K CB 1.906 34.015 32.500 -0.652 0.000 1.161 267 K HN 0.179 nan 8.250 nan 0.000 0.425 268 G N 0.877 109.532 108.800 -0.241 0.000 2.225 268 G HA2 -0.298 3.662 3.960 -0.001 0.000 0.254 268 G HA3 -0.298 3.662 3.960 -0.001 0.000 0.254 268 G C 0.842 175.645 174.900 -0.162 0.000 0.988 268 G CA 0.444 45.560 45.100 0.027 0.000 0.625 268 G HN 0.388 nan 8.290 nan 0.000 0.527 269 V N 0.850 120.585 119.914 -0.299 0.000 2.343 269 V HA -0.233 3.887 4.120 -0.001 0.000 0.247 269 V C 2.823 178.508 176.094 -0.682 0.000 1.051 269 V CA 2.920 64.916 62.300 -0.506 0.000 1.036 269 V CB -0.560 31.039 31.823 -0.374 0.000 0.654 269 V HN 0.638 nan 8.190 nan 0.000 0.451 270 Q N -0.282 119.060 119.800 -0.763 0.000 2.124 270 Q HA -0.141 4.198 4.340 -0.001 0.000 0.202 270 Q C 2.242 177.990 176.000 -0.420 0.000 0.977 270 Q CA 1.409 56.809 55.803 -0.672 0.000 0.850 270 Q CB -0.267 28.226 28.738 -0.409 0.000 0.901 270 Q HN 0.539 nan 8.270 nan 0.000 0.429 271 L N 0.001 121.023 121.223 -0.335 0.000 2.217 271 L HA -0.148 4.192 4.340 -0.001 0.000 0.211 271 L C 2.193 178.846 176.870 -0.361 0.000 1.107 271 L CA 0.302 54.994 54.840 -0.247 0.000 0.783 271 L CB -0.209 41.781 42.059 -0.114 0.000 0.919 271 L HN 0.229 nan 8.230 nan 0.000 0.442 272 L N -0.775 120.150 121.223 -0.496 0.000 2.072 272 L HA -0.133 4.206 4.340 -0.001 0.000 0.205 272 L C 2.228 178.711 176.870 -0.645 0.000 1.079 272 L CA 1.449 55.890 54.840 -0.664 0.000 0.752 272 L CB -0.311 41.270 42.059 -0.796 0.000 0.906 272 L HN 0.047 nan 8.230 nan 0.000 0.436 273 L N -0.247 120.549 121.223 -0.713 0.000 2.079 273 L HA -0.233 4.106 4.340 -0.001 0.000 0.210 273 L C 2.195 178.755 176.870 -0.517 0.000 1.081 273 L CA 1.592 55.910 54.840 -0.869 0.000 0.752 273 L CB -1.631 39.316 42.059 -1.854 0.000 0.896 273 L HN 0.349 nan 8.230 nan 0.000 0.433 274 D N -0.496 119.725 120.400 -0.298 0.000 2.144 274 D HA -0.081 4.559 4.640 -0.001 0.000 0.200 274 D C 2.229 178.351 176.300 -0.297 0.000 0.978 274 D CA 1.288 55.224 54.000 -0.107 0.000 0.833 274 D CB 0.138 40.916 40.800 -0.036 0.000 0.961 274 D HN 0.268 nan 8.370 nan 0.000 0.470 275 A N 0.632 123.177 122.820 -0.458 0.000 1.898 275 A HA -0.117 4.203 4.320 -0.001 0.000 0.216 275 A C 2.505 179.872 177.584 -0.362 0.000 1.181 275 A CA 1.017 52.742 52.037 -0.520 0.000 0.620 275 A CB -0.751 17.503 19.000 -1.244 0.000 0.819 275 A HN 0.117 nan 8.150 nan 0.000 0.442 276 V N 0.449 120.154 119.914 -0.349 0.000 2.231 276 V HA -0.322 3.797 4.120 -0.001 0.000 0.250 276 V C 2.792 178.760 176.094 -0.210 0.000 1.058 276 V CA 2.420 64.577 62.300 -0.238 0.000 1.022 276 V CB -1.218 30.454 31.823 -0.251 0.000 0.640 276 V HN 0.622 nan 8.190 nan 0.000 0.445 277 V N -1.529 118.234 119.914 -0.251 0.000 2.427 277 V HA -0.193 3.926 4.120 -0.001 0.000 0.248 277 V C 2.098 177.996 176.094 -0.327 0.000 1.051 277 V CA 2.299 64.411 62.300 -0.313 0.000 1.048 277 V CB -0.936 30.599 31.823 -0.480 0.000 0.666 277 V HN 0.451 nan 8.190 nan 0.000 0.456 278 D N -0.194 119.934 120.400 -0.452 0.000 2.117 278 D HA -0.090 4.549 4.640 -0.001 0.000 0.198 278 D C 1.900 177.806 176.300 -0.656 0.000 0.982 278 D CA 2.088 55.672 54.000 -0.693 0.000 0.828 278 D CB -0.173 39.895 40.800 -1.220 0.000 0.967 278 D HN 0.698 nan 8.370 nan 0.000 0.464 279 Y N -0.876 119.414 120.300 -0.016 0.000 2.467 279 Y HA 0.279 4.829 4.550 -0.001 0.000 0.259 279 Y C 0.497 176.386 175.900 -0.018 0.000 1.084 279 Y CA -0.718 57.385 58.100 0.004 0.000 1.275 279 Y CB 0.017 38.517 38.460 0.067 0.000 1.208 279 Y HN -0.171 nan 8.280 nan 0.000 0.511 280 L N 4.565 125.823 121.223 0.058 0.000 2.397 280 L HA 0.289 4.629 4.340 -0.001 0.000 0.271 280 L C -2.078 174.792 176.870 0.000 0.000 1.148 280 L CA -2.418 52.432 54.840 0.015 0.000 0.825 280 L CB 0.133 42.171 42.059 -0.034 0.000 1.117 280 L HN -0.095 nan 8.230 nan 0.000 0.456 281 P HA 0.088 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 -0.320 62.780 63.100 0.000 0.000 0.780 281 P CB 0.862 32.559 31.700 -0.005 0.000 0.898 282 S N 1.337 117.040 115.700 0.005 0.000 2.718 282 S HA 0.473 4.943 4.470 -0.001 0.000 0.300 282 S C -2.017 172.584 174.600 0.002 0.000 1.117 282 S CA -1.673 56.528 58.200 0.001 0.000 1.002 282 S CB 0.756 63.957 63.200 0.002 0.000 1.092 282 S HN 0.176 nan 8.310 nan 0.000 0.542 283 P HA 0.031 nan 4.420 nan 0.000 0.234 283 P C 0.590 177.909 177.300 0.033 0.000 1.162 283 P CA 0.545 63.658 63.100 0.022 0.000 0.759 283 P CB 0.011 31.730 31.700 0.031 0.000 0.813 284 L N -1.273 119.963 121.223 0.022 0.000 2.556 284 L HA 0.108 4.448 4.340 -0.001 0.000 0.226 284 L C 1.563 178.449 176.870 0.027 0.000 1.089 284 L CA 1.433 56.290 54.840 0.029 0.000 0.864 284 L CB -0.626 41.445 42.059 0.019 0.000 1.067 284 L HN -0.087 nan 8.230 nan 0.000 0.477 285 D N -0.003 120.409 120.400 0.019 0.000 2.289 285 D HA 0.102 4.741 4.640 -0.001 0.000 0.207 285 D C 0.937 177.245 176.300 0.013 0.000 0.966 285 D CA 0.519 54.528 54.000 0.016 0.000 0.868 285 D CB 0.831 41.638 40.800 0.012 0.000 0.943 285 D HN 0.340 nan 8.370 nan 0.000 0.514 286 I N -0.697 119.880 120.570 0.013 0.000 2.676 286 I HA 0.427 4.597 4.170 -0.001 0.000 0.309 286 I C -2.414 173.708 176.117 0.009 0.000 0.990 286 I CA -2.227 59.078 61.300 0.009 0.000 1.168 286 I CB 1.162 39.166 38.000 0.006 0.000 1.343 286 I HN -0.340 nan 8.210 nan 0.000 0.482 287 P HA 0.223 nan 4.420 nan 0.000 0.271 287 P C -2.519 174.759 177.300 -0.038 0.000 1.218 287 P CA -0.796 62.296 63.100 -0.013 0.000 0.780 287 P CB -0.146 31.547 31.700 -0.012 0.000 0.901 288 P HA 0.061 nan 4.420 nan 0.000 0.268 288 P C 0.248 177.465 177.300 -0.138 0.000 1.208 288 P CA -0.228 62.788 63.100 -0.140 0.000 0.777 288 P CB 0.545 32.028 31.700 -0.362 0.000 0.875 289 I N 1.514 121.991 120.570 -0.155 0.000 2.938 289 I HA 0.062 4.232 4.170 -0.001 0.000 0.285 289 I C 0.452 176.433 176.117 -0.227 0.000 1.182 289 I CA 0.171 61.319 61.300 -0.253 0.000 1.388 289 I CB 0.088 37.714 38.000 -0.623 0.000 1.390 289 I HN 0.269 nan 8.210 nan 0.000 0.600 290 K N 3.946 124.233 120.400 -0.188 0.000 2.324 290 K HA 0.711 5.031 4.320 -0.001 0.000 0.253 290 K C -0.579 175.949 176.600 -0.120 0.000 0.932 290 K CA -0.786 55.423 56.287 -0.130 0.000 0.799 290 K CB 1.846 34.299 32.500 -0.078 0.000 1.154 290 K HN 0.824 nan 8.250 nan 0.000 0.425 291 G N 0.583 109.331 108.800 -0.086 0.000 2.605 291 G HA2 0.496 4.456 3.960 -0.001 0.000 0.296 291 G HA3 0.496 4.456 3.960 -0.001 0.000 0.296 291 G C -1.095 173.791 174.900 -0.025 0.000 1.304 291 G CA -0.401 44.663 45.100 -0.060 0.000 0.941 291 G HN 0.373 nan 8.290 nan 0.000 0.475 292 T N 0.656 115.204 114.554 -0.011 0.000 2.823 292 T HA 0.611 4.960 4.350 -0.001 0.000 0.279 292 T C 0.735 175.443 174.700 0.013 0.000 0.998 292 T CA -0.303 61.798 62.100 0.002 0.000 0.994 292 T CB 1.434 70.304 68.868 0.004 0.000 0.960 292 T HN 0.867 nan 8.240 nan 0.000 0.448 293 T N 0.586 115.150 114.554 0.016 0.000 2.847 293 T HA 0.347 4.696 4.350 -0.001 0.000 0.279 293 T C -1.892 172.823 174.700 0.024 0.000 0.984 293 T CA -1.878 60.236 62.100 0.023 0.000 0.988 293 T CB 0.679 69.559 68.868 0.021 0.000 1.040 293 T HN 0.130 nan 8.240 nan 0.000 0.528 294 P HA -0.012 nan 4.420 nan 0.000 0.225 294 P C 0.883 178.196 177.300 0.020 0.000 1.148 294 P CA 0.777 63.894 63.100 0.028 0.000 0.779 294 P CB -0.010 31.710 31.700 0.034 0.000 0.780 295 E N -1.153 119.057 120.200 0.017 0.000 2.512 295 E HA 0.103 4.453 4.350 -0.001 0.000 0.195 295 E C 1.328 177.936 176.600 0.012 0.000 1.083 295 E CA 0.588 56.996 56.400 0.013 0.000 0.873 295 E CB -0.602 29.105 29.700 0.012 0.000 0.897 295 E HN 0.191 nan 8.360 nan 0.000 0.514 296 G N 2.640 111.448 108.800 0.013 0.000 2.184 296 G HA2 -0.365 3.595 3.960 -0.001 0.000 0.264 296 G HA3 -0.365 3.595 3.960 -0.001 0.000 0.264 296 G C 0.144 175.049 174.900 0.010 0.000 0.975 296 G CA 0.533 45.639 45.100 0.011 0.000 0.642 296 G HN 0.448 nan 8.290 nan 0.000 0.536 297 E N 0.908 121.114 120.200 0.011 0.000 2.180 297 E HA 0.428 4.778 4.350 -0.001 0.000 0.283 297 E C 0.564 177.169 176.600 0.009 0.000 1.061 297 E CA -0.606 55.800 56.400 0.010 0.000 0.861 297 E CB 0.797 30.504 29.700 0.012 0.000 1.056 297 E HN 0.104 nan 8.360 nan 0.000 0.407 298 V N 4.586 124.504 119.914 0.006 0.000 2.843 298 V HA 0.092 4.212 4.120 -0.001 0.000 0.305 298 V C 0.133 176.229 176.094 0.004 0.000 1.065 298 V CA 0.099 62.400 62.300 0.001 0.000 1.116 298 V CB 1.397 33.220 31.823 -0.001 0.000 0.968 298 V HN 0.533 nan 8.190 nan 0.000 0.487 299 V N 3.813 123.725 119.914 -0.004 0.000 2.932 299 V HA 0.335 4.455 4.120 -0.001 0.000 0.307 299 V C -0.413 175.668 176.094 -0.022 0.000 1.147 299 V CA -0.855 61.448 62.300 0.005 0.000 0.951 299 V CB 2.224 34.058 31.823 0.019 0.000 1.031 299 V HN 0.886 nan 8.190 nan 0.000 0.426 300 E N 3.369 123.561 120.200 -0.013 0.000 2.089 300 E HA 0.431 4.781 4.350 -0.001 0.000 0.284 300 E C -0.871 175.644 176.600 -0.142 0.000 1.023 300 E CA -0.278 56.050 56.400 -0.120 0.000 0.819 300 E CB 0.971 30.585 29.700 -0.143 0.000 1.076 300 E HN 0.472 nan 8.360 nan 0.000 0.396 301 I N 4.667 125.139 120.570 -0.163 0.000 2.322 301 I HA 0.098 4.268 4.170 -0.001 0.000 0.292 301 I C -0.161 175.879 176.117 -0.129 0.000 1.060 301 I CA -0.374 60.888 61.300 -0.063 0.000 1.309 301 I CB 0.198 38.167 38.000 -0.051 0.000 1.415 301 I HN 0.438 nan 8.210 nan 0.000 0.492 302 H N 7.284 126.382 119.070 0.046 0.000 2.525 302 H HA 0.209 4.765 4.556 -0.001 0.000 0.339 302 H C -1.873 173.503 175.328 0.080 0.000 1.109 302 H CA -1.907 54.175 56.048 0.057 0.000 1.352 302 H CB 0.485 30.273 29.762 0.043 0.000 1.461 302 H HN 0.384 nan 8.280 nan 0.000 0.533 303 P HA -0.052 nan 4.420 nan 0.000 0.235 303 P C -0.625 176.764 177.300 0.148 0.000 1.720 303 P CA 0.121 63.313 63.100 0.153 0.000 1.003 303 P CB -0.291 31.484 31.700 0.125 0.000 1.968 304 D N 2.602 123.089 120.400 0.145 0.000 2.473 304 D HA 0.137 4.776 4.640 -0.001 0.000 0.226 304 D C -0.992 175.370 176.300 0.103 0.000 1.089 304 D CA -2.679 51.391 54.000 0.117 0.000 0.883 304 D CB 1.090 41.947 40.800 0.096 0.000 1.029 304 D HN 0.050 nan 8.370 nan 0.000 0.517 305 P HA -0.195 nan 4.420 nan 0.000 0.217 305 P C 0.256 177.582 177.300 0.044 0.000 1.148 305 P CA 1.073 64.224 63.100 0.084 0.000 0.834 305 P CB 0.348 32.143 31.700 0.159 0.000 0.783 306 N N -0.583 118.150 118.700 0.056 0.000 2.270 306 N HA 0.093 4.833 4.740 -0.001 0.000 0.198 306 N C 1.250 176.782 175.510 0.036 0.000 1.117 306 N CA 0.287 53.360 53.050 0.037 0.000 0.845 306 N CB 0.245 38.755 38.487 0.038 0.000 0.980 306 N HN 0.185 nan 8.380 nan 0.000 0.486 307 G N 1.677 110.505 108.800 0.048 0.000 2.532 307 G HA2 0.336 4.296 3.960 -0.001 0.000 0.291 307 G HA3 0.336 4.296 3.960 -0.001 0.000 0.291 307 G C -2.536 172.392 174.900 0.047 0.000 1.349 307 G CA -0.957 44.172 45.100 0.048 0.000 1.038 307 G HN -0.052 nan 8.290 nan 0.000 0.518 308 P HA 0.177 nan 4.420 nan 0.000 0.276 308 P C -0.229 177.108 177.300 0.062 0.000 1.230 308 P CA -0.518 62.612 63.100 0.049 0.000 0.776 308 P CB 1.428 33.155 31.700 0.046 0.000 0.888 309 L N 2.935 124.193 121.223 0.058 0.000 2.514 309 L HA 0.348 4.688 4.340 -0.001 0.000 0.280 309 L C -0.268 176.655 176.870 0.089 0.000 1.223 309 L CA 0.554 55.434 54.840 0.067 0.000 0.864 309 L CB -0.536 41.557 42.059 0.056 0.000 1.118 309 L HN 0.596 nan 8.230 nan 0.000 0.494 310 A N 4.576 127.462 122.820 0.111 0.000 2.485 310 A HA 0.860 5.179 4.320 -0.001 0.000 0.285 310 A C -0.980 176.725 177.584 0.201 0.000 1.045 310 A CA 0.069 52.193 52.037 0.145 0.000 0.792 310 A CB 0.806 19.893 19.000 0.145 0.000 1.307 310 A HN 1.385 nan 8.150 nan 0.000 0.406 311 A N 2.173 125.105 122.820 0.186 0.000 2.556 311 A HA 0.861 5.181 4.320 -0.001 0.000 0.294 311 A C -1.588 176.128 177.584 0.220 0.000 1.091 311 A CA -0.517 51.637 52.037 0.195 0.000 0.704 311 A CB 1.483 20.538 19.000 0.091 0.000 1.300 311 A HN 1.486 nan 8.150 nan 0.000 0.406 312 L N 1.222 122.601 121.223 0.260 0.000 2.346 312 L HA 0.817 5.157 4.340 -0.001 0.000 0.276 312 L C -0.095 176.922 176.870 0.244 0.000 1.006 312 L CA -0.376 54.620 54.840 0.261 0.000 0.817 312 L CB 1.491 43.772 42.059 0.369 0.000 1.272 312 L HN 1.005 nan 8.230 nan 0.000 0.421 313 A N 4.353 127.277 122.820 0.174 0.000 2.252 313 A HA 0.471 4.790 4.320 -0.001 0.000 0.309 313 A C -0.139 177.542 177.584 0.161 0.000 1.285 313 A CA -0.516 51.584 52.037 0.105 0.000 0.900 313 A CB -0.037 18.981 19.000 0.031 0.000 1.157 313 A HN 0.730 nan 8.150 nan 0.000 0.536 314 F N 0.627 120.619 119.950 0.071 0.000 2.746 314 F HA 0.555 5.082 4.527 -0.001 0.000 0.313 314 F C 0.247 176.075 175.800 0.047 0.000 1.095 314 F CA -0.381 57.648 58.000 0.049 0.000 1.224 314 F CB 0.645 39.659 39.000 0.022 0.000 1.060 314 F HN 0.261 nan 8.300 nan 0.000 0.584 315 K N 2.187 122.322 120.400 -0.443 0.000 2.656 315 K HA 0.310 4.629 4.320 -0.001 0.000 0.253 315 K C -1.489 175.073 176.600 -0.063 0.000 1.002 315 K CA -0.274 55.867 56.287 -0.244 0.000 0.880 315 K CB 1.925 34.167 32.500 -0.429 0.000 1.232 315 K HN 0.061 nan 8.250 nan 0.000 0.456 316 I N 4.949 125.519 120.570 -0.001 0.000 2.291 316 I HA 0.321 4.490 4.170 -0.001 0.000 0.292 316 I C 0.410 176.560 176.117 0.055 0.000 1.064 316 I CA -0.273 61.042 61.300 0.025 0.000 1.269 316 I CB 0.600 38.609 38.000 0.016 0.000 1.418 316 I HN 0.479 nan 8.210 nan 0.000 0.485 317 M N 4.239 123.901 119.600 0.104 0.000 2.644 317 M HA 0.612 5.091 4.480 -0.001 0.000 0.316 317 M C -0.154 176.162 176.300 0.026 0.000 1.200 317 M CA -0.604 54.751 55.300 0.092 0.000 0.944 317 M CB 2.518 35.248 32.600 0.217 0.000 1.691 317 M HN 0.594 nan 8.290 nan 0.000 0.471 318 A N 2.321 125.140 122.820 -0.001 0.000 2.644 318 A HA 0.255 4.574 4.320 -0.001 0.000 0.343 318 A C -0.701 176.850 177.584 -0.055 0.000 1.324 318 A CA -0.667 51.352 52.037 -0.030 0.000 0.846 318 A CB -0.090 18.892 19.000 -0.029 0.000 1.128 318 A HN 0.806 nan 8.150 nan 0.000 0.484 319 D N 3.326 123.679 120.400 -0.078 0.000 2.414 319 D HA 0.104 4.744 4.640 -0.001 0.000 0.242 319 D C -1.481 174.715 176.300 -0.172 0.000 1.129 319 D CA -1.192 52.720 54.000 -0.147 0.000 0.885 319 D CB 1.351 42.041 40.800 -0.183 0.000 1.198 319 D HN 0.151 nan 8.370 nan 0.000 0.437 320 P HA -0.164 nan 4.420 nan 0.000 0.214 320 P C -0.503 176.789 177.300 -0.013 0.000 1.169 320 P CA 1.500 64.520 63.100 -0.133 0.000 0.908 320 P CB -0.089 31.524 31.700 -0.145 0.000 0.791 321 Y N -1.418 118.879 120.300 -0.006 0.000 2.504 321 Y HA 0.522 5.072 4.550 -0.001 0.000 0.339 321 Y C 0.852 176.742 175.900 -0.018 0.000 0.974 321 Y CA -1.491 56.603 58.100 -0.010 0.000 1.232 321 Y CB 0.220 38.676 38.460 -0.005 0.000 1.108 321 Y HN -0.063 nan 8.280 nan 0.000 0.509 322 V N -0.488 119.469 119.914 0.072 0.000 2.040 322 V HA 0.077 4.197 4.120 -0.001 0.000 0.337 322 V C 0.594 176.676 176.094 -0.020 0.000 2.753 322 V CA 0.243 62.551 62.300 0.014 0.000 3.583 322 V CB -1.714 30.101 31.823 -0.013 0.000 1.083 322 V HN 2.150 nan 8.190 nan 0.000 1.212 323 G N 2.280 111.067 108.800 -0.022 0.000 2.552 323 G HA2 -0.214 3.745 3.960 -0.001 0.000 0.267 323 G HA3 -0.214 3.745 3.960 -0.001 0.000 0.267 323 G C 0.016 174.887 174.900 -0.049 0.000 1.174 323 G CA 1.273 46.357 45.100 -0.028 0.000 0.955 323 G HN 2.163 nan 8.290 nan 0.000 0.546 324 R N 0.508 120.979 120.500 -0.048 0.000 2.207 324 R HA 0.698 5.038 4.340 -0.001 0.000 0.334 324 R C -0.445 175.793 176.300 -0.103 0.000 1.013 324 R CA -0.789 55.277 56.100 -0.058 0.000 0.858 324 R CB 0.894 31.173 30.300 -0.035 0.000 1.094 324 R HN 0.424 nan 8.270 nan 0.000 0.457 325 L N 3.317 124.455 121.223 -0.142 0.000 2.264 325 L HA 0.265 4.605 4.340 -0.001 0.000 0.289 325 L C 0.386 177.079 176.870 -0.295 0.000 1.044 325 L CA -0.484 54.182 54.840 -0.290 0.000 0.807 325 L CB 1.919 43.718 42.059 -0.434 0.000 1.192 325 L HN 0.764 nan 8.230 nan 0.000 0.425 326 T N 3.130 117.506 114.554 -0.296 0.000 2.753 326 T HA 0.428 4.778 4.350 -0.001 0.000 0.297 326 T C -0.309 174.203 174.700 -0.314 0.000 0.981 326 T CA -0.420 61.556 62.100 -0.207 0.000 0.956 326 T CB -0.112 68.681 68.868 -0.124 0.000 0.936 326 T HN 0.146 nan 8.240 nan 0.000 0.463 327 F N 6.135 125.892 119.950 -0.321 0.000 2.456 327 F HA 0.462 4.989 4.527 -0.001 0.000 0.358 327 F C 0.799 176.339 175.800 -0.434 0.000 1.095 327 F CA -0.800 56.937 58.000 -0.438 0.000 1.216 327 F CB 0.756 39.319 39.000 -0.727 0.000 1.125 327 F HN 0.499 nan 8.300 nan 0.000 0.549 328 I N 2.359 122.936 120.570 0.010 0.000 2.730 328 I HA 0.631 4.801 4.170 -0.001 0.000 0.298 328 I C -1.282 174.993 176.117 0.263 0.000 1.089 328 I CA -1.272 60.118 61.300 0.150 0.000 1.041 328 I CB 1.938 39.971 38.000 0.055 0.000 1.235 328 I HN 0.566 nan 8.210 nan 0.000 0.423 329 R N 4.900 125.537 120.500 0.230 0.000 2.338 329 R HA 0.649 4.988 4.340 -0.001 0.000 0.317 329 R C -1.726 174.432 176.300 -0.238 0.000 0.968 329 R CA -0.459 55.597 56.100 -0.074 0.000 0.849 329 R CB 1.016 31.132 30.300 -0.306 0.000 1.128 329 R HN 0.553 nan 8.270 nan 0.000 0.448 330 V N 6.789 126.565 119.914 -0.229 0.000 2.465 330 V HA 0.220 4.340 4.120 -0.001 0.000 0.279 330 V C 0.057 175.971 176.094 -0.300 0.000 1.045 330 V CA -0.215 61.989 62.300 -0.161 0.000 0.938 330 V CB 1.005 32.784 31.823 -0.074 0.000 0.986 330 V HN 0.822 nan 8.190 nan 0.000 0.467 331 Y N 2.044 122.364 120.300 0.033 0.000 2.464 331 Y HA 0.177 4.727 4.550 -0.001 0.000 0.288 331 Y C 1.431 177.356 175.900 0.041 0.000 1.133 331 Y CA 0.730 58.846 58.100 0.026 0.000 1.223 331 Y CB 0.523 38.990 38.460 0.013 0.000 1.187 331 Y HN 0.745 nan 8.280 nan 0.000 0.539 332 S N -1.355 114.451 115.700 0.177 0.000 2.638 332 S HA 0.721 5.190 4.470 -0.001 0.000 0.274 332 S C 0.114 174.766 174.600 0.087 0.000 1.157 332 S CA -0.424 57.854 58.200 0.130 0.000 0.826 332 S CB 1.696 64.981 63.200 0.142 0.000 1.139 332 S HN 0.840 nan 8.310 nan 0.000 0.474 333 G N 0.592 109.433 108.800 0.068 0.000 2.601 333 G HA2 0.052 4.011 3.960 -0.001 0.000 0.252 333 G HA3 0.052 4.011 3.960 -0.001 0.000 0.252 333 G C -0.387 174.515 174.900 0.004 0.000 1.294 333 G CA -0.090 45.034 45.100 0.040 0.000 0.912 333 G HN 1.577 nan 8.290 nan 0.000 0.574 334 T N 0.014 114.563 114.554 -0.007 0.000 2.893 334 T HA 0.548 4.898 4.350 -0.001 0.000 0.293 334 T C -0.826 173.858 174.700 -0.026 0.000 1.027 334 T CA -0.353 61.722 62.100 -0.041 0.000 0.988 334 T CB 1.909 70.742 68.868 -0.059 0.000 1.043 334 T HN 0.988 nan 8.240 nan 0.000 0.461 335 L N 2.912 124.110 121.223 -0.040 0.000 2.272 335 L HA 0.613 4.953 4.340 -0.001 0.000 0.289 335 L C -0.026 176.818 176.870 -0.043 0.000 1.032 335 L CA 0.200 55.022 54.840 -0.030 0.000 0.810 335 L CB 1.196 43.236 42.059 -0.030 0.000 1.205 335 L HN 0.617 nan 8.230 nan 0.000 0.422 336 T N 2.988 117.520 114.554 -0.036 0.000 2.902 336 T HA 0.316 4.665 4.350 -0.001 0.000 0.283 336 T C -0.200 174.467 174.700 -0.055 0.000 1.009 336 T CA -0.237 61.837 62.100 -0.043 0.000 1.051 336 T CB 1.341 70.189 68.868 -0.032 0.000 0.999 336 T HN 0.671 nan 8.240 nan 0.000 0.474 337 S N 1.698 117.364 115.700 -0.056 0.000 2.572 337 S HA 0.440 4.909 4.470 -0.001 0.000 0.279 337 S C 1.025 175.577 174.600 -0.080 0.000 1.341 337 S CA 0.429 58.590 58.200 -0.066 0.000 1.043 337 S CB -0.190 62.978 63.200 -0.053 0.000 0.887 337 S HN 1.245 nan 8.310 nan 0.000 0.516 338 G N 2.958 111.694 108.800 -0.106 0.000 2.296 338 G HA2 -0.074 3.886 3.960 -0.001 0.000 0.263 338 G HA3 -0.074 3.886 3.960 -0.001 0.000 0.263 338 G C 0.011 174.810 174.900 -0.169 0.000 0.887 338 G CA 0.497 45.514 45.100 -0.139 0.000 1.318 338 G HN 1.637 nan 8.290 nan 0.000 0.403 339 S N 0.249 115.797 115.700 -0.253 0.000 2.724 339 S HA 0.783 5.252 4.470 -0.001 0.000 0.278 339 S C -1.179 173.174 174.600 -0.413 0.000 1.190 339 S CA -1.145 56.907 58.200 -0.247 0.000 0.860 339 S CB 1.443 64.596 63.200 -0.080 0.000 1.206 339 S HN 0.905 nan 8.310 nan 0.000 0.507 340 Y N 0.506 120.815 120.300 0.016 0.000 2.376 340 Y HA 0.665 5.215 4.550 -0.001 0.000 0.340 340 Y C 0.076 176.003 175.900 0.044 0.000 0.965 340 Y CA -0.702 57.415 58.100 0.028 0.000 1.078 340 Y CB 2.123 40.606 38.460 0.037 0.000 1.193 340 Y HN 0.794 nan 8.280 nan 0.000 0.452 341 V N 0.214 120.244 119.914 0.192 0.000 2.815 341 V HA 0.577 4.697 4.120 -0.001 0.000 0.314 341 V C -1.567 174.646 176.094 0.198 0.000 1.064 341 V CA -1.251 61.142 62.300 0.155 0.000 0.952 341 V CB 2.057 33.931 31.823 0.085 0.000 1.020 341 V HN 0.657 nan 8.190 nan 0.000 0.439 342 Y N 2.747 123.085 120.300 0.063 0.000 2.330 342 Y HA 0.509 5.059 4.550 -0.001 0.000 0.336 342 Y C 0.299 176.225 175.900 0.043 0.000 1.036 342 Y CA -0.657 57.473 58.100 0.050 0.000 1.125 342 Y CB 1.418 39.900 38.460 0.038 0.000 1.194 342 Y HN 0.875 nan 8.280 nan 0.000 0.469 343 N N 3.947 122.325 118.700 -0.535 0.000 2.521 343 N HA 0.018 4.758 4.740 -0.001 0.000 0.236 343 N C 0.748 175.963 175.510 -0.493 0.000 1.067 343 N CA 0.472 53.306 53.050 -0.361 0.000 0.939 343 N CB 1.018 39.357 38.487 -0.247 0.000 1.201 343 N HN 0.929 nan 8.380 nan 0.000 0.511 344 T N -0.796 113.666 114.554 -0.154 0.000 2.995 344 T HA -0.080 4.270 4.350 -0.001 0.000 0.269 344 T C 1.234 175.930 174.700 -0.006 0.000 1.091 344 T CA 1.020 63.137 62.100 0.028 0.000 1.128 344 T CB -0.264 68.698 68.868 0.158 0.000 0.891 344 T HN 0.308 nan 8.240 nan 0.000 0.492 345 T N 1.245 115.780 114.554 -0.032 0.000 3.284 345 T HA 0.244 4.593 4.350 -0.001 0.000 0.252 345 T C 0.889 175.566 174.700 -0.039 0.000 1.144 345 T CA 0.420 62.510 62.100 -0.017 0.000 1.021 345 T CB -0.117 68.747 68.868 -0.006 0.000 0.984 345 T HN 0.560 nan 8.240 nan 0.000 0.545 346 K N -0.933 119.419 120.400 -0.081 0.000 2.997 346 K HA 0.440 4.760 4.320 -0.001 0.000 0.259 346 K C 0.692 177.232 176.600 -0.099 0.000 2.334 346 K CA 0.151 56.387 56.287 -0.085 0.000 1.377 346 K CB 0.678 33.117 32.500 -0.100 0.000 2.602 346 K HN 0.067 nan 8.250 nan 0.000 0.425 347 G N 2.184 110.840 108.800 -0.240 0.000 2.334 347 G HA2 -0.032 3.928 3.960 -0.001 0.000 0.222 347 G HA3 -0.032 3.928 3.960 -0.001 0.000 0.222 347 G C -0.937 173.875 174.900 -0.147 0.000 1.077 347 G CA -0.244 44.754 45.100 -0.171 0.000 0.861 347 G HN 0.264 nan 8.290 nan 0.000 0.508 348 R N -0.830 119.472 120.500 -0.330 0.000 2.774 348 R HA 0.795 5.134 4.340 -0.001 0.000 0.272 348 R C -0.745 175.467 176.300 -0.147 0.000 1.000 348 R CA -1.215 54.814 56.100 -0.119 0.000 0.906 348 R CB 1.382 31.643 30.300 -0.065 0.000 1.227 348 R HN -0.080 nan 8.270 nan 0.000 0.468 349 K N 1.858 122.281 120.400 0.039 0.000 2.339 349 K HA 0.198 4.518 4.320 -0.001 0.000 0.286 349 K C -0.428 176.241 176.600 0.115 0.000 1.050 349 K CA -0.223 56.134 56.287 0.116 0.000 0.956 349 K CB 0.924 33.468 32.500 0.073 0.000 0.990 349 K HN 0.549 nan 8.250 nan 0.000 0.475 350 E N 1.823 122.101 120.200 0.129 0.000 2.212 350 E HA 0.232 4.581 4.350 -0.001 0.000 0.270 350 E C -0.450 176.250 176.600 0.166 0.000 0.956 350 E CA -0.990 55.474 56.400 0.106 0.000 0.825 350 E CB 1.936 31.650 29.700 0.024 0.000 1.167 350 E HN 0.214 nan 8.360 nan 0.000 0.400 351 R N 1.651 122.197 120.500 0.077 0.000 2.239 351 R HA 0.193 4.532 4.340 -0.001 0.000 0.332 351 R C -1.199 175.021 176.300 -0.133 0.000 0.988 351 R CA -0.530 55.505 56.100 -0.108 0.000 0.859 351 R CB 0.446 30.676 30.300 -0.117 0.000 1.148 351 R HN 0.247 nan 8.270 nan 0.000 0.482 352 V N 5.798 125.618 119.914 -0.157 0.000 2.387 352 V HA 0.477 4.597 4.120 -0.001 0.000 0.260 352 V C 0.731 176.738 176.094 -0.145 0.000 1.054 352 V CA 0.629 62.855 62.300 -0.122 0.000 0.967 352 V CB 0.265 32.032 31.823 -0.094 0.000 1.036 352 V HN 0.954 nan 8.190 nan 0.000 0.481 353 A N 7.972 130.720 122.820 -0.119 0.000 1.833 353 A HA 0.295 4.615 4.320 -0.001 0.000 0.215 353 A C 1.334 178.863 177.584 -0.091 0.000 1.275 353 A CA 0.683 52.656 52.037 -0.106 0.000 0.602 353 A CB -0.075 18.875 19.000 -0.082 0.000 0.929 353 A HN 0.785 nan 8.150 nan 0.000 0.462 354 R N -1.403 119.048 120.500 -0.081 0.000 2.778 354 R HA 0.706 5.045 4.340 -0.001 0.000 0.277 354 R C -1.542 174.708 176.300 -0.083 0.000 0.977 354 R CA -0.523 55.535 56.100 -0.071 0.000 0.950 354 R CB 1.609 31.876 30.300 -0.055 0.000 1.165 354 R HN 0.387 nan 8.270 nan 0.000 0.474 355 L N 3.507 124.687 121.223 -0.071 0.000 2.346 355 L HA 0.599 4.939 4.340 -0.001 0.000 0.276 355 L C -0.915 175.918 176.870 -0.062 0.000 1.006 355 L CA -0.695 54.098 54.840 -0.079 0.000 0.817 355 L CB 1.424 43.444 42.059 -0.064 0.000 1.272 355 L HN 0.348 nan 8.230 nan 0.000 0.421 356 L N 2.749 123.923 121.223 -0.081 0.000 2.371 356 L HA 0.642 4.982 4.340 -0.001 0.000 0.262 356 L C -0.678 176.176 176.870 -0.026 0.000 1.006 356 L CA -0.867 53.945 54.840 -0.045 0.000 0.818 356 L CB 2.450 44.472 42.059 -0.062 0.000 1.354 356 L HN 0.524 nan 8.230 nan 0.000 0.415 357 R N 1.849 122.370 120.500 0.035 0.000 2.445 357 R HA 0.606 4.945 4.340 -0.001 0.000 0.308 357 R C -1.022 175.329 176.300 0.085 0.000 0.961 357 R CA -0.848 55.281 56.100 0.049 0.000 0.862 357 R CB 1.893 32.236 30.300 0.073 0.000 1.144 357 R HN 0.407 nan 8.270 nan 0.000 0.447 358 M N 3.853 123.486 119.600 0.056 0.000 2.108 358 M HA 0.255 4.735 4.480 -0.001 0.000 0.354 358 M C 0.234 176.516 176.300 -0.031 0.000 1.229 358 M CA 0.031 55.364 55.300 0.056 0.000 1.081 358 M CB 0.574 33.245 32.600 0.118 0.000 1.606 358 M HN 0.527 nan 8.290 nan 0.000 0.467 359 H N 0.877 119.837 119.070 -0.183 0.000 2.645 359 H HA 0.424 4.979 4.556 -0.001 0.000 0.308 359 H C 0.897 176.197 175.328 -0.046 0.000 1.495 359 H CA -0.320 55.635 56.048 -0.155 0.000 1.518 359 H CB 1.081 30.630 29.762 -0.355 0.000 1.752 359 H HN 0.750 nan 8.280 nan 0.000 0.797 360 A N 0.545 123.465 122.820 0.166 0.000 1.877 360 A HA -0.164 4.156 4.320 -0.001 0.000 0.216 360 A C 1.169 178.847 177.584 0.158 0.000 1.186 360 A CA 1.571 53.688 52.037 0.133 0.000 0.620 360 A CB -0.154 18.932 19.000 0.143 0.000 0.822 360 A HN 0.645 nan 8.150 nan 0.000 0.443 361 N N -0.307 118.550 118.700 0.261 0.000 2.351 361 N HA 0.147 4.886 4.740 -0.001 0.000 0.254 361 N C -0.708 175.007 175.510 0.341 0.000 1.241 361 N CA 0.134 53.330 53.050 0.244 0.000 0.883 361 N CB 0.622 39.224 38.487 0.190 0.000 1.202 361 N HN 0.840 nan 8.380 nan 0.000 0.512 362 H N -1.861 117.274 119.070 0.108 0.000 2.919 362 H HA 0.285 4.841 4.556 -0.001 0.000 0.270 362 H C -1.228 174.165 175.328 0.109 0.000 1.412 362 H CA -0.633 55.466 56.048 0.084 0.000 1.261 362 H CB 0.562 30.342 29.762 0.031 0.000 1.850 362 H HN -0.153 nan 8.280 nan 0.000 0.478 363 R N 0.575 121.085 120.500 0.016 0.000 2.536 363 R HA 0.453 4.792 4.340 -0.001 0.000 0.279 363 R C -0.249 176.039 176.300 -0.020 0.000 1.001 363 R CA -0.785 55.306 56.100 -0.015 0.000 1.027 363 R CB 1.649 31.977 30.300 0.046 0.000 1.096 363 R HN 0.687 nan 8.270 nan 0.000 0.502 364 E N 2.101 122.303 120.200 0.002 0.000 2.244 364 E HA 0.069 4.418 4.350 -0.001 0.000 0.260 364 E C -1.322 175.303 176.600 0.042 0.000 0.884 364 E CA -0.410 56.005 56.400 0.025 0.000 0.777 364 E CB 1.689 31.400 29.700 0.018 0.000 1.197 364 E HN 0.537 nan 8.360 nan 0.000 0.416 365 E N 3.444 123.662 120.200 0.030 0.000 2.344 365 E HA 0.234 4.584 4.350 -0.001 0.000 0.270 365 E C -0.504 176.109 176.600 0.021 0.000 1.021 365 E CA -0.495 55.914 56.400 0.014 0.000 0.887 365 E CB 0.999 30.704 29.700 0.007 0.000 0.997 365 E HN 0.367 nan 8.360 nan 0.000 0.429 366 V N 1.505 121.425 119.914 0.010 0.000 2.864 366 V HA 0.365 4.485 4.120 -0.001 0.000 0.314 366 V C 0.584 176.673 176.094 -0.009 0.000 1.073 366 V CA -0.766 61.542 62.300 0.013 0.000 0.956 366 V CB 1.926 33.764 31.823 0.024 0.000 1.023 366 V HN 0.709 nan 8.190 nan 0.000 0.435 367 E N 1.481 121.676 120.200 -0.010 0.000 2.371 367 E HA 0.109 4.459 4.350 -0.001 0.000 0.194 367 E C 0.214 176.793 176.600 -0.035 0.000 1.012 367 E CA 0.971 57.358 56.400 -0.022 0.000 0.860 367 E CB 0.322 30.012 29.700 -0.016 0.000 0.811 367 E HN 1.004 nan 8.360 nan 0.000 0.502 368 E N -0.957 119.218 120.200 -0.041 0.000 2.389 368 E HA 0.365 4.715 4.350 -0.001 0.000 0.281 368 E C -1.444 175.110 176.600 -0.077 0.000 1.111 368 E CA -0.727 55.636 56.400 -0.061 0.000 0.869 368 E CB 0.652 30.309 29.700 -0.073 0.000 1.259 368 E HN -0.207 nan 8.360 nan 0.000 0.434 369 L N 1.563 122.732 121.223 -0.091 0.000 2.406 369 L HA 0.516 4.855 4.340 -0.001 0.000 0.272 369 L C -0.466 176.317 176.870 -0.146 0.000 0.980 369 L CA -0.638 54.140 54.840 -0.104 0.000 0.831 369 L CB 1.482 43.503 42.059 -0.063 0.000 1.253 369 L HN 0.615 nan 8.230 nan 0.000 0.406 370 K N 1.403 121.651 120.400 -0.253 0.000 2.267 370 K HA 0.819 5.138 4.320 -0.001 0.000 0.236 370 K C -0.129 176.401 176.600 -0.116 0.000 1.030 370 K CA -0.988 55.131 56.287 -0.280 0.000 0.930 370 K CB 0.935 33.040 32.500 -0.658 0.000 1.182 370 K HN 0.635 nan 8.250 nan 0.000 0.474 371 A N 0.289 123.097 122.820 -0.020 0.000 2.603 371 A HA 0.273 4.592 4.320 -0.001 0.000 0.235 371 A C 1.201 178.856 177.584 0.117 0.000 1.035 371 A CA 1.231 53.308 52.037 0.068 0.000 0.755 371 A CB -1.235 17.839 19.000 0.123 0.000 0.954 371 A HN 0.926 nan 8.150 nan 0.000 0.511 372 G N 1.294 110.111 108.800 0.028 0.000 2.179 372 G HA2 -0.218 3.742 3.960 -0.001 0.000 0.260 372 G HA3 -0.218 3.742 3.960 -0.001 0.000 0.260 372 G C 0.124 175.021 174.900 -0.005 0.000 0.977 372 G CA 0.575 45.683 45.100 0.014 0.000 0.641 372 G HN 0.965 nan 8.290 nan 0.000 0.533 373 D N -0.448 119.950 120.400 -0.004 0.000 2.384 373 D HA 0.767 5.407 4.640 -0.001 0.000 0.250 373 D C -0.119 176.153 176.300 -0.047 0.000 1.029 373 D CA -0.193 53.803 54.000 -0.007 0.000 0.990 373 D CB 1.584 42.398 40.800 0.024 0.000 1.175 373 D HN 0.095 nan 8.370 nan 0.000 0.532 374 L N 0.032 121.245 121.223 -0.016 0.000 2.393 374 L HA 0.772 5.112 4.340 -0.001 0.000 0.260 374 L C 0.497 177.402 176.870 0.058 0.000 1.002 374 L CA -0.390 54.472 54.840 0.037 0.000 0.818 374 L CB 2.335 44.434 42.059 0.067 0.000 1.369 374 L HN 0.559 nan 8.230 nan 0.000 0.412 375 G N 0.176 109.035 108.800 0.099 0.000 2.489 375 G HA2 0.723 4.683 3.960 -0.001 0.000 0.305 375 G HA3 0.723 4.683 3.960 -0.001 0.000 0.305 375 G C -2.222 172.663 174.900 -0.024 0.000 1.311 375 G CA -0.032 45.102 45.100 0.056 0.000 0.813 375 G HN 0.728 nan 8.290 nan 0.000 0.480 376 A N -0.662 122.014 122.820 -0.240 0.000 2.318 376 A HA 0.774 5.093 4.320 -0.001 0.000 0.317 376 A C -0.459 176.908 177.584 -0.362 0.000 1.159 376 A CA -0.495 51.171 52.037 -0.617 0.000 0.799 376 A CB 1.557 19.877 19.000 -1.133 0.000 1.194 376 A HN 2.022 nan 8.150 nan 0.000 0.479 377 V N 3.996 123.722 119.914 -0.313 0.000 2.532 377 V HA 0.668 4.787 4.120 -0.001 0.000 0.295 377 V C -0.373 175.598 176.094 -0.206 0.000 1.041 377 V CA -0.314 61.865 62.300 -0.202 0.000 0.926 377 V CB 1.528 33.268 31.823 -0.138 0.000 0.992 377 V HN 0.700 nan 8.190 nan 0.000 0.457 378 V N 7.125 126.946 119.914 -0.155 0.000 2.539 378 V HA 0.939 5.059 4.120 -0.001 0.000 0.292 378 V C 0.970 177.003 176.094 -0.101 0.000 1.045 378 V CA 0.876 63.098 62.300 -0.129 0.000 0.945 378 V CB 0.451 32.213 31.823 -0.101 0.000 0.993 378 V HN 1.692 nan 8.190 nan 0.000 0.464 379 G N 3.136 111.886 108.800 -0.084 0.000 2.451 379 G HA2 0.143 4.103 3.960 -0.001 0.000 0.208 379 G HA3 0.143 4.103 3.960 -0.001 0.000 0.208 379 G C -0.602 174.262 174.900 -0.060 0.000 1.248 379 G CA -0.591 44.471 45.100 -0.064 0.000 0.989 379 G HN 1.537 nan 8.290 nan 0.000 0.559 380 L N -0.974 120.222 121.223 -0.045 0.000 3.423 380 L HA -0.099 4.241 4.340 -0.001 0.000 0.671 380 L C 1.581 178.433 176.870 -0.029 0.000 1.083 380 L CA 1.287 56.105 54.840 -0.036 0.000 1.201 380 L CB -0.759 41.270 42.059 -0.049 0.000 1.578 380 L HN 0.779 nan 8.230 nan 0.000 0.839 381 K N 0.741 121.132 120.400 -0.016 0.000 2.334 381 K HA 0.191 4.510 4.320 -0.001 0.000 0.195 381 K C 1.101 177.696 176.600 -0.008 0.000 1.045 381 K CA 0.541 56.821 56.287 -0.011 0.000 1.004 381 K CB 0.465 32.962 32.500 -0.004 0.000 0.837 381 K HN 0.479 nan 8.250 nan 0.000 0.510 382 E N 0.826 121.020 120.200 -0.010 0.000 2.476 382 E HA 0.077 4.427 4.350 -0.001 0.000 0.196 382 E C -0.334 176.254 176.600 -0.020 0.000 1.029 382 E CA 0.147 56.539 56.400 -0.013 0.000 0.896 382 E CB 0.711 30.400 29.700 -0.017 0.000 1.012 382 E HN -0.007 nan 8.360 nan 0.000 0.475 383 T N 2.482 117.024 114.554 -0.020 0.000 2.767 383 T HA 0.521 4.870 4.350 -0.001 0.000 0.284 383 T C 0.602 175.296 174.700 -0.010 0.000 0.973 383 T CA -0.460 61.628 62.100 -0.021 0.000 0.996 383 T CB 0.821 69.674 68.868 -0.025 0.000 0.927 383 T HN 0.081 nan 8.240 nan 0.000 0.456 384 I N -0.180 120.390 120.570 -0.001 0.000 2.693 384 I HA 0.604 4.774 4.170 -0.001 0.000 0.303 384 I C 0.554 176.684 176.117 0.020 0.000 1.025 384 I CA -1.140 60.166 61.300 0.011 0.000 1.086 384 I CB 1.687 39.698 38.000 0.018 0.000 1.268 384 I HN 0.462 nan 8.210 nan 0.000 0.440 385 T N 3.275 117.846 114.554 0.028 0.000 2.819 385 T HA 0.290 4.639 4.350 -0.001 0.000 0.282 385 T C 1.117 175.854 174.700 0.061 0.000 1.013 385 T CA 1.400 63.526 62.100 0.044 0.000 1.159 385 T CB -0.404 68.494 68.868 0.051 0.000 1.007 385 T HN 1.533 nan 8.240 nan 0.000 0.514 386 G N 4.260 113.109 108.800 0.081 0.000 2.259 386 G HA2 -0.168 3.792 3.960 -0.001 0.000 0.217 386 G HA3 -0.168 3.792 3.960 -0.001 0.000 0.217 386 G C -0.083 174.856 174.900 0.065 0.000 1.001 386 G CA 0.044 45.192 45.100 0.080 0.000 0.627 386 G HN 0.772 nan 8.290 nan 0.000 0.501 387 D N 1.054 121.485 120.400 0.051 0.000 2.360 387 D HA 0.527 5.167 4.640 -0.001 0.000 0.242 387 D C 0.329 176.663 176.300 0.056 0.000 1.184 387 D CA 0.749 54.771 54.000 0.036 0.000 0.930 387 D CB 0.861 41.668 40.800 0.012 0.000 1.161 387 D HN 0.091 nan 8.370 nan 0.000 0.447 388 T N 1.278 115.859 114.554 0.046 0.000 2.823 388 T HA 0.430 4.779 4.350 -0.001 0.000 0.279 388 T C -0.505 174.229 174.700 0.056 0.000 0.998 388 T CA -0.708 61.433 62.100 0.068 0.000 0.994 388 T CB 0.855 69.763 68.868 0.067 0.000 0.960 388 T HN -0.000 nan 8.240 nan 0.000 0.448 389 L N 4.159 125.428 121.223 0.076 0.000 2.329 389 L HA 0.788 5.128 4.340 -0.001 0.000 0.279 389 L C 0.167 177.100 176.870 0.105 0.000 1.014 389 L CA -0.819 54.064 54.840 0.072 0.000 0.814 389 L CB 1.278 43.370 42.059 0.055 0.000 1.257 389 L HN 0.569 nan 8.230 nan 0.000 0.424 390 V N -0.842 119.154 119.914 0.138 0.000 3.158 390 V HA 0.792 4.912 4.120 -0.001 0.000 0.311 390 V C 0.947 177.122 176.094 0.134 0.000 1.181 390 V CA -0.254 62.128 62.300 0.137 0.000 1.054 390 V CB 1.390 33.301 31.823 0.146 0.000 1.085 390 V HN 0.732 nan 8.190 nan 0.000 0.446 391 G N -0.538 108.320 108.800 0.098 0.000 2.601 391 G HA2 -0.136 3.823 3.960 -0.001 0.000 0.214 391 G HA3 -0.136 3.823 3.960 -0.001 0.000 0.214 391 G C 0.826 175.773 174.900 0.079 0.000 1.132 391 G CA 1.343 46.489 45.100 0.078 0.000 0.761 391 G HN 1.736 nan 8.290 nan 0.000 0.550 392 E N -1.879 118.381 120.200 0.101 0.000 4.584 392 E HA -0.266 4.084 4.350 -0.001 0.000 0.282 392 E C 0.093 176.671 176.600 -0.037 0.000 0.747 392 E CA 1.584 58.021 56.400 0.061 0.000 1.563 392 E CB -1.238 28.527 29.700 0.107 0.000 1.779 392 E HN 0.404 nan 8.360 nan 0.000 0.408 393 D N -0.247 120.147 120.400 -0.010 0.000 2.740 393 D HA 0.487 5.126 4.640 -0.001 0.000 0.301 393 D C -0.619 175.674 176.300 -0.012 0.000 1.408 393 D CA 0.721 54.706 54.000 -0.026 0.000 0.808 393 D CB 0.953 41.748 40.800 -0.008 0.000 1.128 393 D HN 0.347 nan 8.370 nan 0.000 0.465 394 A N 0.467 123.283 122.820 -0.006 0.000 2.435 394 A HA 0.775 5.095 4.320 -0.001 0.000 0.296 394 A C -2.627 174.962 177.584 0.009 0.000 1.147 394 A CA -1.520 50.525 52.037 0.014 0.000 0.775 394 A CB 0.985 20.009 19.000 0.041 0.000 1.340 394 A HN -0.159 nan 8.150 nan 0.000 0.427 395 P HA 0.220 nan 4.420 nan 0.000 0.265 395 P C -0.603 176.723 177.300 0.044 0.000 1.187 395 P CA 0.203 63.317 63.100 0.023 0.000 0.766 395 P CB 0.300 32.019 31.700 0.031 0.000 0.820 396 R N 2.070 122.596 120.500 0.044 0.000 4.138 396 R HA 0.172 4.512 4.340 -0.001 0.000 0.206 396 R C -0.121 176.228 176.300 0.081 0.000 1.667 396 R CA -0.349 55.806 56.100 0.091 0.000 1.481 396 R CB -1.087 29.276 30.300 0.105 0.000 1.388 396 R HN 0.303 nan 8.270 nan 0.000 0.776 397 V N -0.600 119.356 119.914 0.069 0.000 2.953 397 V HA 0.555 4.675 4.120 -0.001 0.000 0.304 397 V C 0.527 176.651 176.094 0.050 0.000 1.073 397 V CA -0.942 61.386 62.300 0.048 0.000 1.064 397 V CB 1.143 32.985 31.823 0.032 0.000 1.047 397 V HN 0.470 nan 8.190 nan 0.000 0.478 398 I N 1.309 121.897 120.570 0.030 0.000 2.447 398 I HA 0.432 4.601 4.170 -0.001 0.000 0.287 398 I C 0.316 176.434 176.117 0.002 0.000 1.023 398 I CA -0.804 60.512 61.300 0.026 0.000 1.083 398 I CB 1.920 39.936 38.000 0.027 0.000 1.245 398 I HN 0.387 nan 8.210 nan 0.000 0.434 399 L N 3.596 124.817 121.223 -0.003 0.000 2.313 399 L HA 0.275 4.615 4.340 -0.001 0.000 0.214 399 L C 0.896 177.752 176.870 -0.023 0.000 1.119 399 L CA 1.292 56.106 54.840 -0.044 0.000 0.809 399 L CB -1.245 40.780 42.059 -0.057 0.000 0.933 399 L HN 0.760 nan 8.230 nan 0.000 0.449 400 E N -0.778 119.425 120.200 0.005 0.000 2.312 400 E HA 0.271 4.620 4.350 -0.001 0.000 0.267 400 E C -0.025 176.584 176.600 0.016 0.000 0.894 400 E CA -0.552 55.856 56.400 0.013 0.000 0.773 400 E CB 2.054 31.769 29.700 0.026 0.000 1.241 400 E HN 0.073 nan 8.360 nan 0.000 0.432 401 S N 0.982 116.722 115.700 0.067 0.000 2.605 401 S HA -0.142 4.327 4.470 -0.001 0.000 0.309 401 S C 1.055 175.690 174.600 0.058 0.000 1.257 401 S CA 0.205 58.408 58.200 0.006 0.000 1.033 401 S CB 0.169 63.386 63.200 0.028 0.000 0.742 401 S HN 0.530 nan 8.310 nan 0.000 0.487 402 I N 0.483 121.066 120.570 0.023 0.000 3.030 402 I HA -0.018 4.152 4.170 -0.001 0.000 0.270 402 I C 1.642 177.786 176.117 0.045 0.000 1.211 402 I CA 0.288 61.622 61.300 0.056 0.000 1.479 402 I CB -0.362 37.658 38.000 0.034 0.000 1.105 402 I HN 0.827 nan 8.210 nan 0.000 0.447 403 E N 2.924 123.141 120.200 0.030 0.000 2.521 403 E HA -0.119 4.231 4.350 -0.001 0.000 0.270 403 E C -0.868 175.741 176.600 0.016 0.000 1.082 403 E CA 0.606 57.019 56.400 0.021 0.000 0.997 403 E CB 0.950 30.659 29.700 0.016 0.000 0.990 403 E HN -0.045 nan 8.360 nan 0.000 0.458 404 V N 4.710 124.622 119.914 -0.004 0.000 2.581 404 V HA 0.297 4.417 4.120 -0.001 0.000 0.303 404 V C -2.024 174.031 176.094 -0.066 0.000 1.041 404 V CA -1.646 60.642 62.300 -0.021 0.000 0.907 404 V CB 1.699 33.512 31.823 -0.016 0.000 0.994 404 V HN 0.708 nan 8.190 nan 0.000 0.442 405 P HA 0.110 nan 4.420 nan 0.000 0.267 405 P C -0.127 177.080 177.300 -0.155 0.000 1.328 405 P CA -0.177 62.864 63.100 -0.099 0.000 0.990 405 P CB 0.315 31.972 31.700 -0.072 0.000 1.168 406 E N 4.726 124.732 120.200 -0.322 0.000 2.606 406 E HA -0.007 4.343 4.350 -0.001 0.000 0.248 406 E C -1.975 174.442 176.600 -0.305 0.000 1.005 406 E CA -1.106 54.987 56.400 -0.512 0.000 0.946 406 E CB -0.134 28.800 29.700 -1.276 0.000 0.928 406 E HN 0.364 nan 8.360 nan 0.000 0.494 407 P HA -0.082 nan 4.420 nan 0.000 0.260 407 P C 0.643 178.056 177.300 0.188 0.000 1.207 407 P CA 0.326 63.461 63.100 0.058 0.000 0.780 407 P CB 0.317 32.062 31.700 0.075 0.000 0.789 408 V N 2.091 122.143 119.914 0.229 0.000 3.528 408 V HA 0.340 4.460 4.120 -0.001 0.000 0.294 408 V C 0.307 176.488 176.094 0.146 0.000 1.404 408 V CA 0.413 62.900 62.300 0.311 0.000 1.065 408 V CB -0.112 31.925 31.823 0.358 0.000 0.904 408 V HN 0.221 nan 8.190 nan 0.000 0.435 409 I N 1.760 122.405 120.570 0.125 0.000 2.512 409 I HA 0.606 4.775 4.170 -0.001 0.000 0.287 409 I C -1.526 174.658 176.117 0.112 0.000 1.069 409 I CA -0.171 61.184 61.300 0.092 0.000 1.056 409 I CB 1.906 39.931 38.000 0.042 0.000 1.229 409 I HN 0.146 nan 8.210 nan 0.000 0.429 410 D N 5.783 126.276 120.400 0.155 0.000 2.217 410 D HA 0.558 5.198 4.640 -0.001 0.000 0.243 410 D C -0.453 175.876 176.300 0.049 0.000 1.054 410 D CA -0.258 53.834 54.000 0.153 0.000 0.838 410 D CB 3.121 44.118 40.800 0.327 0.000 1.162 410 D HN 0.049 nan 8.370 nan 0.000 0.472 411 V N 1.503 121.426 119.914 0.014 0.000 2.524 411 V HA 0.552 4.671 4.120 -0.001 0.000 0.297 411 V C -0.153 175.924 176.094 -0.029 0.000 1.035 411 V CA -0.892 61.393 62.300 -0.025 0.000 0.867 411 V CB 1.719 33.517 31.823 -0.042 0.000 1.004 411 V HN 0.725 nan 8.190 nan 0.000 0.426 412 A N 6.836 129.627 122.820 -0.049 0.000 2.354 412 A HA 0.852 5.172 4.320 -0.001 0.000 0.269 412 A C -0.274 177.286 177.584 -0.040 0.000 1.109 412 A CA -0.234 51.776 52.037 -0.046 0.000 0.800 412 A CB 0.254 19.205 19.000 -0.082 0.000 1.045 412 A HN 1.002 nan 8.150 nan 0.000 0.489 413 I N -1.332 119.221 120.570 -0.028 0.000 2.608 413 I HA 0.708 4.877 4.170 -0.001 0.000 0.295 413 I C -0.827 175.276 176.117 -0.022 0.000 1.049 413 I CA -0.652 60.632 61.300 -0.027 0.000 1.063 413 I CB 2.378 40.362 38.000 -0.026 0.000 1.248 413 I HN 0.609 nan 8.210 nan 0.000 0.424 414 E N 6.053 126.240 120.200 -0.022 0.000 2.460 414 E HA 0.343 4.693 4.350 -0.001 0.000 0.249 414 E C -2.644 173.947 176.600 -0.015 0.000 0.962 414 E CA -1.870 54.519 56.400 -0.019 0.000 0.787 414 E CB 1.833 31.518 29.700 -0.024 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 0.073 177.369 177.300 -0.008 0.000 1.201 415 P CA -0.094 63.001 63.100 -0.009 0.000 0.775 415 P CB 1.176 32.871 31.700 -0.009 0.000 0.854 416 K N 0.669 121.066 120.400 -0.005 0.000 2.393 416 K HA 0.066 4.386 4.320 -0.001 0.000 0.193 416 K C 0.979 177.576 176.600 -0.004 0.000 1.026 416 K CA 0.934 57.218 56.287 -0.005 0.000 1.064 416 K CB -0.014 32.484 32.500 -0.004 0.000 0.833 416 K HN 0.647 nan 8.250 nan 0.000 0.521 417 T N -3.278 111.274 114.554 -0.003 0.000 3.684 417 T HA 0.303 4.653 4.350 -0.001 0.000 0.317 417 T C 0.400 175.098 174.700 -0.003 0.000 0.922 417 T CA -0.493 61.605 62.100 -0.003 0.000 0.999 417 T CB 0.338 69.205 68.868 -0.001 0.000 1.204 417 T HN 0.033 nan 8.240 nan 0.000 0.534 418 K N 0.120 120.518 120.400 -0.005 0.000 3.870 418 K HA -0.336 3.984 4.320 -0.001 0.000 0.370 418 K C 1.854 178.451 176.600 -0.004 0.000 0.607 418 K CA 1.737 58.021 56.287 -0.005 0.000 1.617 418 K CB -1.953 30.544 32.500 -0.005 0.000 1.221 418 K HN 0.539 nan 8.250 nan 0.000 0.485 419 A N 1.003 123.822 122.820 -0.002 0.000 1.929 419 A HA -0.146 4.174 4.320 -0.001 0.000 0.216 419 A C 1.574 179.159 177.584 0.001 0.000 1.176 419 A CA 2.182 54.219 52.037 0.000 0.000 0.628 419 A CB -0.231 18.771 19.000 0.003 0.000 0.816 419 A HN 0.405 nan 8.150 nan 0.000 0.444 420 D N -1.370 119.031 120.400 0.001 0.000 2.234 420 D HA -0.088 4.551 4.640 -0.001 0.000 0.205 420 D C 2.106 178.402 176.300 -0.006 0.000 0.962 420 D CA 0.748 54.750 54.000 0.003 0.000 0.855 420 D CB -0.031 40.771 40.800 0.004 0.000 0.951 420 D HN 0.314 nan 8.370 nan 0.000 0.500 421 Q N 0.800 120.595 119.800 -0.008 0.000 2.083 421 Q HA -0.160 4.179 4.340 -0.001 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 0.671 120.863 120.200 -0.015 0.000 2.038 422 E HA -0.205 4.145 4.350 -0.001 0.000 0.195 422 E C 1.560 178.143 176.600 -0.028 0.000 1.000 422 E CA 1.755 58.144 56.400 -0.018 0.000 0.803 422 E CB -0.060 29.634 29.700 -0.010 0.000 0.750 422 E HN 0.384 nan 8.360 nan 0.000 0.448 423 K N 0.187 120.572 120.400 -0.025 0.000 2.487 423 K HA -0.031 4.289 4.320 -0.001 0.000 0.192 423 K C 1.920 178.471 176.600 -0.081 0.000 1.027 423 K CA 0.274 56.538 56.287 -0.039 0.000 1.054 423 K CB 0.169 32.668 32.500 -0.001 0.000 0.824 423 K HN 0.119 nan 8.250 nan 0.000 0.510 424 L N 1.932 123.116 121.223 -0.065 0.000 2.062 424 L HA -0.051 4.289 4.340 -0.001 0.000 0.202 424 L C 2.268 179.073 176.870 -0.108 0.000 1.079 424 L CA 2.020 56.812 54.840 -0.080 0.000 0.755 424 L CB -0.693 41.342 42.059 -0.040 0.000 0.913 424 L HN 0.320 nan 8.230 nan 0.000 0.445 425 S N -1.192 114.467 115.700 -0.069 0.000 2.440 425 S HA -0.198 4.271 4.470 -0.001 0.000 0.238 425 S C 1.785 176.332 174.600 -0.089 0.000 1.010 425 S CA 0.941 59.106 58.200 -0.058 0.000 0.972 425 S CB -0.596 62.584 63.200 -0.033 0.000 0.774 425 S HN 0.585 nan 8.310 nan 0.000 0.501 426 Q N 1.717 121.446 119.800 -0.118 0.000 1.994 426 Q HA 0.155 4.494 4.340 -0.001 0.000 0.198 426 Q C 2.745 178.584 176.000 -0.268 0.000 0.976 426 Q CA 1.593 57.311 55.803 -0.141 0.000 0.828 426 Q CB -1.202 27.468 28.738 -0.114 0.000 0.894 426 Q HN 0.679 nan 8.270 nan 0.000 0.432 427 A N 1.132 123.669 122.820 -0.470 0.000 1.986 427 A HA -0.182 4.138 4.320 -0.001 0.000 0.220 427 A C 2.270 179.478 177.584 -0.626 0.000 1.171 427 A CA 1.288 52.669 52.037 -1.094 0.000 0.640 427 A CB -0.767 17.391 19.000 -1.403 0.000 0.811 427 A HN 0.290 nan 8.150 nan 0.000 0.451 428 L N -1.177 119.882 121.223 -0.272 0.000 2.023 428 L HA -0.142 4.197 4.340 -0.001 0.000 0.205 428 L C 3.156 180.030 176.870 0.005 0.000 1.073 428 L CA 1.012 55.827 54.840 -0.041 0.000 0.745 428 L CB -0.699 41.372 42.059 0.020 0.000 0.900 428 L HN 0.414 nan 8.230 nan 0.000 0.435 429 A N 0.154 122.947 122.820 -0.046 0.000 1.884 429 A HA -0.294 4.025 4.320 -0.001 0.000 0.219 429 A C 2.309 179.886 177.584 -0.011 0.000 1.197 429 A CA 2.142 54.161 52.037 -0.030 0.000 0.637 429 A CB -0.536 18.439 19.000 -0.040 0.000 0.827 429 A HN 0.250 nan 8.150 nan 0.000 0.450 430 R N -1.124 119.354 120.500 -0.038 0.000 2.088 430 R HA -0.062 4.277 4.340 -0.001 0.000 0.232 430 R C 2.061 178.424 176.300 0.105 0.000 1.136 430 R CA 1.487 57.601 56.100 0.024 0.000 0.926 430 R CB -1.144 29.168 30.300 0.019 0.000 0.837 430 R HN 0.460 nan 8.270 nan 0.000 0.429 431 L N 0.401 121.706 121.223 0.137 0.000 2.187 431 L HA -0.082 4.257 4.340 -0.001 0.000 0.213 431 L C 1.930 178.980 176.870 0.300 0.000 1.100 431 L CA 1.832 56.833 54.840 0.268 0.000 0.765 431 L CB -0.650 41.597 42.059 0.313 0.000 0.904 431 L HN 0.284 nan 8.230 nan 0.000 0.437 432 A N -1.012 121.941 122.820 0.222 0.000 1.972 432 A HA -0.204 4.115 4.320 -0.001 0.000 0.219 432 A C 2.147 179.732 177.584 0.002 0.000 1.169 432 A CA 1.722 53.788 52.037 0.048 0.000 0.635 432 A CB -0.408 18.535 19.000 -0.096 0.000 0.810 432 A HN 0.597 nan 8.150 nan 0.000 0.446 433 E N -0.119 120.110 120.200 0.048 0.000 2.076 433 E HA -0.135 4.215 4.350 -0.001 0.000 0.190 433 E C 1.828 178.473 176.600 0.076 0.000 0.979 433 E CA 0.969 57.393 56.400 0.040 0.000 0.807 433 E CB -0.155 29.569 29.700 0.040 0.000 0.761 433 E HN 0.587 nan 8.360 nan 0.000 0.454 434 E N 0.922 121.193 120.200 0.119 0.000 2.153 434 E HA -0.124 4.226 4.350 -0.001 0.000 0.194 434 E C 0.458 177.158 176.600 0.165 0.000 0.988 434 E CA 0.911 57.394 56.400 0.137 0.000 0.811 434 E CB -0.046 29.749 29.700 0.159 0.000 0.746 434 E HN 0.135 nan 8.360 nan 0.000 0.466 435 D N -0.465 120.052 120.400 0.195 0.000 2.602 435 D HA 0.109 4.749 4.640 -0.001 0.000 0.245 435 D C -2.411 173.975 176.300 0.143 0.000 1.325 435 D CA -1.814 52.318 54.000 0.220 0.000 0.952 435 D CB 2.209 43.202 40.800 0.321 0.000 1.317 435 D HN -0.199 nan 8.370 nan 0.000 0.577 436 P HA 0.095 nan 4.420 nan 0.000 0.268 436 P C 0.804 178.059 177.300 -0.076 0.000 1.329 436 P CA 0.043 63.080 63.100 -0.105 0.000 0.899 436 P CB -0.021 31.642 31.700 -0.062 0.000 1.378 437 T N -1.946 112.645 114.554 0.062 0.000 3.361 437 T HA 0.178 4.528 4.350 -0.001 0.000 0.251 437 T C 0.237 175.095 174.700 0.263 0.000 1.131 437 T CA -0.359 61.795 62.100 0.090 0.000 1.001 437 T CB -1.454 67.406 68.868 -0.015 0.000 1.003 437 T HN 0.142 nan 8.240 nan 0.000 0.558 438 F N -0.810 119.195 119.950 0.090 0.000 2.601 438 F HA 0.836 5.362 4.527 -0.001 0.000 0.309 438 F C -1.111 174.695 175.800 0.009 0.000 1.089 438 F CA -1.639 56.388 58.000 0.044 0.000 0.940 438 F CB 1.485 40.451 39.000 -0.057 0.000 1.273 438 F HN -0.309 nan 8.300 nan 0.000 0.450 439 R N 2.362 122.915 120.500 0.087 0.000 2.740 439 R HA 0.789 5.128 4.340 -0.001 0.000 0.282 439 R C -1.533 174.848 176.300 0.135 0.000 0.969 439 R CA -1.198 54.892 56.100 -0.018 0.000 0.918 439 R CB 2.044 32.342 30.300 -0.004 0.000 1.175 439 R HN 0.657 nan 8.270 nan 0.000 0.464 440 V N 0.980 120.940 119.914 0.076 0.000 2.715 440 V HA 0.698 4.817 4.120 -0.001 0.000 0.310 440 V C -0.053 176.082 176.094 0.069 0.000 1.054 440 V CA -0.555 61.812 62.300 0.112 0.000 0.928 440 V CB 1.958 33.855 31.823 0.122 0.000 1.007 440 V HN 1.038 nan 8.190 nan 0.000 0.437 441 S N 1.437 117.184 115.700 0.079 0.000 2.596 441 S HA 0.567 5.037 4.470 -0.001 0.000 0.270 441 S C -0.816 173.830 174.600 0.077 0.000 1.155 441 S CA -0.761 57.479 58.200 0.068 0.000 0.827 441 S CB 2.061 65.307 63.200 0.076 0.000 1.130 441 S HN 0.548 nan 8.310 nan 0.000 0.467 442 T N 2.763 117.357 114.554 0.067 0.000 2.832 442 T HA 0.295 4.644 4.350 -0.001 0.000 0.313 442 T C -0.091 174.675 174.700 0.109 0.000 1.035 442 T CA -0.230 61.917 62.100 0.079 0.000 0.950 442 T CB -0.280 68.619 68.868 0.052 0.000 0.984 442 T HN 0.676 nan 8.240 nan 0.000 0.486 443 H N 5.242 124.346 119.070 0.056 0.000 3.195 443 H HA -0.046 4.510 4.556 -0.000 0.000 0.302 443 H C -1.779 173.602 175.328 0.088 0.000 0.950 443 H CA -0.872 55.224 56.048 0.081 0.000 1.398 443 H CB 0.717 30.505 29.762 0.043 0.000 1.377 443 H HN 0.319 nan 8.280 nan 0.000 0.572 444 P HA -0.289 nan 4.420 nan 0.000 0.208 444 P C 1.350 178.755 177.300 0.175 0.000 0.999 444 P CA 2.781 65.926 63.100 0.074 0.000 0.988 444 P CB 0.078 31.848 31.700 0.116 0.000 0.745 445 E N -1.033 119.361 120.200 0.322 0.000 2.015 445 E HA -0.175 4.174 4.350 -0.001 0.000 0.191 445 E C 1.980 178.667 176.600 0.146 0.000 0.991 445 E CA 2.033 58.532 56.400 0.167 0.000 0.802 445 E CB -1.789 28.051 29.700 0.234 0.000 0.759 445 E HN 0.271 nan 8.360 nan 0.000 0.447 446 T N -2.141 112.525 114.554 0.186 0.000 2.778 446 T HA -0.065 4.284 4.350 -0.001 0.000 0.269 446 T C 1.841 176.566 174.700 0.043 0.000 1.050 446 T CA 1.732 63.838 62.100 0.010 0.000 1.137 446 T CB -0.857 67.882 68.868 -0.214 0.000 0.860 446 T HN 0.684 nan 8.240 nan 0.000 0.468 447 G N 0.767 109.638 108.800 0.119 0.000 2.184 447 G HA2 -0.304 3.656 3.960 -0.001 0.000 0.264 447 G HA3 -0.304 3.656 3.960 -0.001 0.000 0.264 447 G C 0.025 174.963 174.900 0.063 0.000 0.975 447 G CA 0.449 45.595 45.100 0.076 0.000 0.642 447 G HN 0.768 nan 8.290 nan 0.000 0.536 448 Q N 0.427 120.262 119.800 0.059 0.000 2.524 448 Q HA 0.402 4.741 4.340 -0.001 0.000 0.246 448 Q C 0.292 176.329 176.000 0.062 0.000 1.063 448 Q CA 0.901 56.722 55.803 0.030 0.000 0.945 448 Q CB 0.307 29.030 28.738 -0.024 0.000 1.292 448 Q HN 0.288 nan 8.270 nan 0.000 0.518 449 T N 2.310 116.885 114.554 0.035 0.000 2.771 449 T HA 0.391 4.741 4.350 -0.001 0.000 0.291 449 T C -0.319 174.410 174.700 0.048 0.000 0.954 449 T CA -0.464 61.662 62.100 0.043 0.000 1.045 449 T CB 0.375 69.257 68.868 0.023 0.000 0.917 449 T HN 0.248 nan 8.240 nan 0.000 0.484 450 I N 4.601 125.217 120.570 0.076 0.000 2.411 450 I HA 0.407 4.577 4.170 -0.001 0.000 0.284 450 I C 0.006 176.179 176.117 0.092 0.000 1.012 450 I CA -0.986 60.363 61.300 0.083 0.000 1.119 450 I CB 0.922 39.002 38.000 0.133 0.000 1.261 450 I HN 0.583 nan 8.210 nan 0.000 0.448 451 I N 4.761 125.369 120.570 0.063 0.000 2.396 451 I HA 0.354 4.523 4.170 -0.001 0.000 0.292 451 I C 0.305 176.465 176.117 0.072 0.000 0.999 451 I CA -0.030 61.316 61.300 0.077 0.000 1.310 451 I CB 1.307 39.286 38.000 -0.035 0.000 1.404 451 I HN 0.504 nan 8.210 nan 0.000 0.496 452 S N 3.294 119.073 115.700 0.131 0.000 2.521 452 S HA 0.791 5.260 4.470 -0.001 0.000 0.295 452 S C 0.086 174.754 174.600 0.114 0.000 1.098 452 S CA -0.669 57.601 58.200 0.117 0.000 0.999 452 S CB 2.102 65.390 63.200 0.147 0.000 1.034 452 S HN 0.869 nan 8.310 nan 0.000 0.483 453 G N 0.601 109.443 108.800 0.071 0.000 3.243 453 G HA2 0.534 4.493 3.960 -0.001 0.000 0.248 453 G HA3 0.534 4.493 3.960 -0.001 0.000 0.248 453 G C 0.073 175.100 174.900 0.210 0.000 1.267 453 G CA -0.755 44.435 45.100 0.150 0.000 0.906 453 G HN 0.601 nan 8.290 nan 0.000 0.592 454 M N 0.055 119.828 119.600 0.288 0.000 2.465 454 M HA 0.344 4.823 4.480 -0.001 0.000 0.249 454 M C 0.857 177.175 176.300 0.029 0.000 1.130 454 M CA 0.794 56.139 55.300 0.074 0.000 1.067 454 M CB 0.781 33.331 32.600 -0.083 0.000 1.394 454 M HN 0.650 nan 8.290 nan 0.000 0.483 455 G N -0.285 108.543 108.800 0.047 0.000 2.368 455 G HA2 0.175 4.134 3.960 -0.001 0.000 0.293 455 G HA3 0.175 4.134 3.960 -0.001 0.000 0.293 455 G C -0.485 174.415 174.900 0.001 0.000 1.467 455 G CA -0.735 44.365 45.100 -0.001 0.000 0.804 455 G HN 0.165 nan 8.290 nan 0.000 0.535 456 E N -0.704 119.487 120.200 -0.016 0.000 2.114 456 E HA -0.214 4.135 4.350 -0.001 0.000 0.199 456 E C 2.457 179.045 176.600 -0.021 0.000 1.008 456 E CA 1.516 57.904 56.400 -0.019 0.000 0.810 456 E CB -0.021 29.668 29.700 -0.018 0.000 0.739 456 E HN 0.303 nan 8.360 nan 0.000 0.456 457 L N 0.747 121.959 121.223 -0.018 0.000 1.994 457 L HA -0.212 4.128 4.340 -0.001 0.000 0.208 457 L C 2.387 179.264 176.870 0.011 0.000 1.071 457 L CA 2.059 56.893 54.840 -0.010 0.000 0.745 457 L CB -0.732 41.312 42.059 -0.026 0.000 0.892 457 L HN 0.182 nan 8.230 nan 0.000 0.431 458 H N -0.502 118.483 119.070 -0.143 0.000 2.265 458 H HA -0.207 4.348 4.556 -0.001 0.000 0.293 458 H C 2.083 177.312 175.328 -0.165 0.000 1.089 458 H CA 2.406 58.336 56.048 -0.195 0.000 1.244 458 H CB -0.449 29.176 29.762 -0.228 0.000 1.355 458 H HN 0.197 nan 8.280 nan 0.000 0.485 459 L N 0.924 122.041 121.223 -0.178 0.000 2.127 459 L HA -0.144 4.196 4.340 -0.001 0.000 0.211 459 L C 2.449 179.224 176.870 -0.159 0.000 1.089 459 L CA 1.693 56.385 54.840 -0.247 0.000 0.757 459 L CB -1.298 40.669 42.059 -0.155 0.000 0.899 459 L HN 0.476 nan 8.230 nan 0.000 0.434 460 E N -0.063 120.087 120.200 -0.084 0.000 2.031 460 E HA -0.240 4.109 4.350 -0.001 0.000 0.193 460 E C 2.246 178.819 176.600 -0.046 0.000 0.994 460 E CA 1.426 57.794 56.400 -0.052 0.000 0.800 460 E CB -0.168 29.518 29.700 -0.024 0.000 0.752 460 E HN 0.539 nan 8.360 nan 0.000 0.447 461 I N 0.331 120.886 120.570 -0.026 0.000 2.315 461 I HA -0.237 3.932 4.170 -0.001 0.000 0.248 461 I C 2.056 178.148 176.117 -0.041 0.000 1.117 461 I CA 1.218 62.518 61.300 0.000 0.000 1.404 461 I CB -0.049 37.996 38.000 0.076 0.000 1.071 461 I HN 0.067 nan 8.210 nan 0.000 0.419 462 I N 0.636 121.129 120.570 -0.128 0.000 2.113 462 I HA -0.250 3.920 4.170 -0.001 0.000 0.238 462 I C 2.648 178.686 176.117 -0.132 0.000 1.070 462 I CA 1.542 62.717 61.300 -0.207 0.000 1.332 462 I CB -0.644 37.065 38.000 -0.485 0.000 1.044 462 I HN 0.112 nan 8.210 nan 0.000 0.402 463 V N 1.371 121.203 119.914 -0.136 0.000 2.250 463 V HA -0.398 3.722 4.120 -0.001 0.000 0.250 463 V C 2.296 178.369 176.094 -0.034 0.000 1.060 463 V CA 2.597 64.849 62.300 -0.080 0.000 1.030 463 V CB -0.822 30.957 31.823 -0.074 0.000 0.643 463 V HN 0.558 nan 8.190 nan 0.000 0.445 464 D N -0.195 120.185 120.400 -0.032 0.000 2.103 464 D HA -0.259 4.380 4.640 -0.001 0.000 0.190 464 D C 2.352 178.648 176.300 -0.007 0.000 0.997 464 D CA 1.898 55.888 54.000 -0.016 0.000 0.833 464 D CB -0.284 40.507 40.800 -0.015 0.000 0.961 464 D HN 0.223 nan 8.370 nan 0.000 0.447 465 R N -1.057 119.439 120.500 -0.008 0.000 2.154 465 R HA -0.178 4.161 4.340 -0.001 0.000 0.248 465 R C 2.163 178.497 176.300 0.056 0.000 1.155 465 R CA 1.084 57.180 56.100 -0.007 0.000 0.979 465 R CB -0.267 30.041 30.300 0.014 0.000 0.869 465 R HN 0.278 nan 8.270 nan 0.000 0.452 466 L N 0.387 121.688 121.223 0.130 0.000 2.109 466 L HA -0.109 4.231 4.340 -0.001 0.000 0.207 466 L C 1.999 178.972 176.870 0.171 0.000 1.086 466 L CA 1.709 56.701 54.840 0.254 0.000 0.760 466 L CB -0.213 41.920 42.059 0.123 0.000 0.910 466 L HN 0.003 nan 8.230 nan 0.000 0.437 467 K N -1.401 119.043 120.400 0.073 0.000 2.228 467 K HA -0.011 4.309 4.320 -0.001 0.000 0.202 467 K C 1.963 178.580 176.600 0.029 0.000 1.051 467 K CA 0.417 56.732 56.287 0.047 0.000 0.960 467 K CB 0.195 32.706 32.500 0.019 0.000 0.743 467 K HN 0.112 nan 8.250 nan 0.000 0.458 468 R N 0.907 121.408 120.500 0.001 0.000 1.950 468 R HA -0.010 4.329 4.340 -0.001 0.000 0.197 468 R C 2.089 178.336 176.300 -0.089 0.000 1.471 468 R CA 0.825 56.903 56.100 -0.037 0.000 1.156 468 R CB -0.990 29.281 30.300 -0.050 0.000 0.905 468 R HN 0.189 nan 8.270 nan 0.000 0.489 469 E N 0.056 120.136 120.200 -0.199 0.000 2.208 469 E HA -0.200 4.149 4.350 -0.001 0.000 0.202 469 E C 0.747 177.064 176.600 -0.473 0.000 1.014 469 E CA 1.426 57.583 56.400 -0.405 0.000 0.819 469 E CB 0.041 29.346 29.700 -0.659 0.000 0.735 469 E HN 0.201 nan 8.360 nan 0.000 0.469 470 F N 0.014 119.963 119.950 -0.001 0.000 2.682 470 F HA 0.261 4.787 4.527 -0.001 0.000 0.308 470 F C 0.244 176.043 175.800 -0.002 0.000 1.093 470 F CA -0.315 57.685 58.000 0.000 0.000 1.244 470 F CB 0.665 39.665 39.000 -0.000 0.000 1.052 470 F HN -0.243 nan 8.300 nan 0.000 0.573 471 K N 1.023 121.497 120.400 0.123 0.000 3.213 471 K HA -0.168 4.151 4.320 -0.001 0.000 0.266 471 K C -0.612 176.036 176.600 0.081 0.000 0.911 471 K CA 0.220 56.552 56.287 0.076 0.000 0.684 471 K CB -2.068 30.463 32.500 0.051 0.000 1.402 471 K HN 0.091 nan 8.250 nan 0.000 0.465 472 V N 1.426 121.397 119.914 0.094 0.000 2.311 472 V HA 0.148 4.268 4.120 -0.001 0.000 0.275 472 V C 0.485 176.601 176.094 0.036 0.000 1.022 472 V CA -0.635 61.701 62.300 0.060 0.000 0.830 472 V CB 1.515 33.372 31.823 0.057 0.000 1.012 472 V HN 0.138 nan 8.190 nan 0.000 0.452 473 D N 4.129 124.542 120.400 0.022 0.000 2.274 473 D HA 0.705 5.345 4.640 -0.001 0.000 0.239 473 D C -0.121 176.181 176.300 0.003 0.000 1.104 473 D CA 0.289 54.296 54.000 0.011 0.000 0.840 473 D CB 2.268 43.074 40.800 0.009 0.000 1.100 473 D HN 0.666 nan 8.370 nan 0.000 0.477 474 A N 3.414 126.234 122.820 -0.002 0.000 2.524 474 A HA 0.510 4.830 4.320 -0.001 0.000 0.286 474 A C -0.644 176.932 177.584 -0.012 0.000 1.203 474 A CA -0.833 51.199 52.037 -0.008 0.000 0.736 474 A CB 1.277 20.271 19.000 -0.011 0.000 1.322 474 A HN 0.487 nan 8.150 nan 0.000 0.424 475 N N 0.468 119.158 118.700 -0.017 0.000 2.426 475 N HA 0.427 5.167 4.740 -0.001 0.000 0.257 475 N C -1.160 174.335 175.510 -0.026 0.000 1.002 475 N CA -0.048 52.990 53.050 -0.020 0.000 0.942 475 N CB 1.662 40.136 38.487 -0.022 0.000 1.112 475 N HN 0.315 nan 8.380 nan 0.000 0.499 476 V N 1.355 121.253 119.914 -0.027 0.000 2.370 476 V HA 0.454 4.574 4.120 -0.001 0.000 0.279 476 V C 1.158 177.231 176.094 -0.035 0.000 1.029 476 V CA -0.837 61.443 62.300 -0.033 0.000 0.870 476 V CB 1.245 33.048 31.823 -0.033 0.000 0.984 476 V HN 0.671 nan 8.190 nan 0.000 0.451 477 G N 3.824 112.598 108.800 -0.043 0.000 2.572 477 G HA2 0.319 4.279 3.960 -0.001 0.000 0.261 477 G HA3 0.319 4.279 3.960 -0.001 0.000 0.261 477 G C -0.142 174.733 174.900 -0.041 0.000 1.197 477 G CA -0.635 44.436 45.100 -0.047 0.000 0.870 477 G HN 0.529 nan 8.290 nan 0.000 0.548 478 K N 1.486 121.865 120.400 -0.036 0.000 2.401 478 K HA 0.170 4.489 4.320 -0.001 0.000 0.278 478 K C -2.004 174.582 176.600 -0.023 0.000 1.018 478 K CA -1.313 54.959 56.287 -0.025 0.000 0.981 478 K CB 1.179 33.669 32.500 -0.016 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 -0.868 176.442 177.300 0.017 0.000 1.205 479 P CA 0.018 63.116 63.100 -0.003 0.000 0.771 479 P CB 0.805 32.500 31.700 -0.008 0.000 0.858 480 Q N 0.225 120.051 119.800 0.044 0.000 2.495 480 Q HA 0.497 4.837 4.340 -0.001 0.000 0.287 480 Q C -0.790 175.269 176.000 0.099 0.000 1.078 480 Q CA -1.286 54.569 55.803 0.087 0.000 0.793 480 Q CB 2.296 31.112 28.738 0.130 0.000 1.459 480 Q HN 0.365 nan 8.270 nan 0.000 0.422 481 V N -0.476 119.450 119.914 0.021 0.000 2.461 481 V HA 0.641 4.761 4.120 -0.001 0.000 0.275 481 V C 0.076 176.086 176.094 -0.141 0.000 1.047 481 V CA -0.208 62.014 62.300 -0.129 0.000 0.955 481 V CB 0.624 32.231 31.823 -0.360 0.000 0.988 481 V HN 0.862 nan 8.190 nan 0.000 0.471 482 A N 5.966 128.779 122.820 -0.012 0.000 3.076 482 A HA 0.318 4.637 4.320 -0.001 0.000 0.269 482 A C 0.077 177.519 177.584 -0.238 0.000 1.916 482 A CA -0.169 51.832 52.037 -0.060 0.000 1.492 482 A CB -1.444 17.621 19.000 0.109 0.000 1.000 482 A HN 0.891 nan 8.150 nan 0.000 0.615 483 Y N 0.942 121.081 120.300 -0.269 0.000 2.459 483 Y HA 0.260 4.809 4.550 -0.001 0.000 0.349 483 Y C 1.246 176.914 175.900 -0.387 0.000 1.266 483 Y CA 0.642 58.533 58.100 -0.348 0.000 1.483 483 Y CB 0.477 38.778 38.460 -0.264 0.000 1.362 483 Y HN 0.482 nan 8.280 nan 0.000 0.628 484 R N 0.727 121.149 120.500 -0.130 0.000 2.774 484 R HA 0.411 4.751 4.340 -0.001 0.000 0.272 484 R C -0.491 175.734 176.300 -0.125 0.000 1.000 484 R CA -0.844 55.171 56.100 -0.142 0.000 0.906 484 R CB 2.167 32.403 30.300 -0.107 0.000 1.227 484 R HN 0.771 nan 8.270 nan 0.000 0.468 485 E N 0.089 120.210 120.200 -0.132 0.000 4.050 485 E HA 0.426 4.775 4.350 -0.001 0.000 0.283 485 E C -0.741 175.735 176.600 -0.207 0.000 0.811 485 E CA -0.676 55.633 56.400 -0.152 0.000 1.609 485 E CB 0.746 30.345 29.700 -0.169 0.000 2.009 485 E HN 0.493 nan 8.360 nan 0.000 0.442 486 T N -0.138 114.432 114.554 0.027 0.000 2.907 486 T HA -0.016 4.334 4.350 -0.001 0.000 0.408 486 T C -1.287 173.432 174.700 0.031 0.000 1.574 486 T CA -0.001 62.117 62.100 0.030 0.000 1.450 486 T CB -0.667 68.222 68.868 0.036 0.000 2.054 486 T HN 0.456 nan 8.240 nan 0.000 0.515 487 I N 1.355 121.946 120.570 0.035 0.000 2.970 487 I HA 0.786 4.956 4.170 -0.001 0.000 0.310 487 I C 1.251 177.385 176.117 0.029 0.000 1.010 487 I CA 0.107 61.426 61.300 0.032 0.000 1.228 487 I CB 1.593 39.615 38.000 0.036 0.000 1.433 487 I HN 0.823 nan 8.210 nan 0.000 0.573 488 T N -0.833 113.736 114.554 0.024 0.000 3.337 488 T HA 0.377 4.726 4.350 -0.001 0.000 0.299 488 T C -0.216 174.494 174.700 0.017 0.000 0.998 488 T CA -0.518 61.594 62.100 0.020 0.000 0.948 488 T CB -0.431 68.447 68.868 0.016 0.000 1.170 488 T HN 0.920 nan 8.240 nan 0.000 0.508 489 K N -0.503 119.908 120.400 0.019 0.000 2.572 489 K HA 0.633 4.953 4.320 -0.001 0.000 0.263 489 K C -3.681 172.930 176.600 0.018 0.000 0.932 489 K CA -1.844 54.452 56.287 0.015 0.000 0.838 489 K CB 0.897 33.405 32.500 0.014 0.000 1.366 489 K HN -0.212 nan 8.250 nan 0.000 0.425 490 P HA 0.072 nan 4.420 nan 0.000 0.268 490 P C -0.852 176.459 177.300 0.019 0.000 1.205 490 P CA -0.567 62.541 63.100 0.014 0.000 0.771 490 P CB 0.900 32.601 31.700 0.001 0.000 0.858 491 V N -0.988 118.943 119.914 0.029 0.000 3.007 491 V HA 0.720 4.840 4.120 -0.001 0.000 0.311 491 V C -1.227 174.900 176.094 0.055 0.000 1.120 491 V CA -0.799 61.524 62.300 0.039 0.000 0.980 491 V CB 2.690 34.541 31.823 0.045 0.000 1.033 491 V HN 0.347 nan 8.190 nan 0.000 0.429 492 D N 1.973 122.413 120.400 0.067 0.000 2.473 492 D HA 0.628 5.267 4.640 -0.001 0.000 0.253 492 D C -0.518 175.856 176.300 0.122 0.000 1.233 492 D CA 0.007 54.074 54.000 0.113 0.000 0.908 492 D CB 1.738 42.591 40.800 0.088 0.000 1.170 492 D HN 1.002 nan 8.370 nan 0.000 0.558 493 V N 0.881 120.874 119.914 0.132 0.000 3.164 493 V HA 0.856 4.975 4.120 -0.001 0.000 0.313 493 V C -0.587 175.567 176.094 0.101 0.000 1.188 493 V CA -0.914 61.448 62.300 0.103 0.000 1.058 493 V CB 1.897 33.767 31.823 0.079 0.000 1.110 493 V HN 0.546 nan 8.190 nan 0.000 0.453 494 E N 0.208 120.459 120.200 0.086 0.000 2.393 494 E HA 0.792 5.142 4.350 -0.001 0.000 0.273 494 E C -0.599 176.051 176.600 0.084 0.000 0.918 494 E CA -0.917 55.536 56.400 0.088 0.000 0.773 494 E CB 2.325 32.111 29.700 0.143 0.000 1.275 494 E HN 1.228 nan 8.360 nan 0.000 0.451 495 G N 1.548 110.406 108.800 0.098 0.000 2.666 495 G HA2 0.499 4.458 3.960 -0.001 0.000 0.303 495 G HA3 0.499 4.458 3.960 -0.001 0.000 0.303 495 G C -1.258 173.683 174.900 0.069 0.000 1.412 495 G CA -0.739 44.401 45.100 0.066 0.000 0.979 495 G HN 0.301 nan 8.290 nan 0.000 0.507 496 K N 1.032 121.427 120.400 -0.009 0.000 2.316 496 K HA 0.545 4.864 4.320 -0.001 0.000 0.251 496 K C -1.881 174.670 176.600 -0.083 0.000 0.934 496 K CA -0.869 55.334 56.287 -0.140 0.000 0.802 496 K CB 2.696 35.037 32.500 -0.264 0.000 1.171 496 K HN 0.361 nan 8.250 nan 0.000 0.426 497 F N 4.890 124.622 119.950 -0.364 0.000 2.810 497 F HA 0.447 4.974 4.527 -0.001 0.000 0.373 497 F C -1.461 174.143 175.800 -0.327 0.000 1.174 497 F CA -0.654 57.178 58.000 -0.280 0.000 1.141 497 F CB 0.514 39.373 39.000 -0.235 0.000 1.420 497 F HN 0.322 nan 8.300 nan 0.000 0.518 498 I N 6.662 126.847 120.570 -0.642 0.000 2.420 498 I HA 0.542 4.711 4.170 -0.001 0.000 0.282 498 I C -0.592 175.212 176.117 -0.522 0.000 1.019 498 I CA -0.488 60.505 61.300 -0.512 0.000 1.130 498 I CB 1.348 39.151 38.000 -0.328 0.000 1.262 498 I HN 0.502 nan 8.210 nan 0.000 0.454 499 R N 4.035 124.199 120.500 -0.559 0.000 2.680 499 R HA 0.309 4.649 4.340 -0.001 0.000 0.269 499 R C -0.872 175.286 176.300 -0.237 0.000 1.026 499 R CA -0.969 54.884 56.100 -0.411 0.000 0.889 499 R CB 2.062 32.035 30.300 -0.545 0.000 1.241 499 R HN 0.379 nan 8.270 nan 0.000 0.463 500 Q N 1.435 121.151 119.800 -0.140 0.000 2.894 500 Q HA 0.124 4.464 4.340 -0.001 0.000 0.358 500 Q C -0.579 175.393 176.000 -0.047 0.000 1.155 500 Q CA 0.220 55.980 55.803 -0.073 0.000 0.960 500 Q CB 0.578 29.284 28.738 -0.053 0.000 1.428 500 Q HN 0.487 nan 8.270 nan 0.000 0.437 501 T N 0.209 114.738 114.554 -0.041 0.000 2.853 501 T HA 0.177 4.527 4.350 -0.001 0.000 0.298 501 T C 0.846 175.560 174.700 0.023 0.000 0.978 501 T CA 0.637 62.744 62.100 0.011 0.000 1.152 501 T CB 0.472 69.387 68.868 0.078 0.000 0.914 501 T HN 0.707 nan 8.240 nan 0.000 0.539 502 G N 2.824 111.636 108.800 0.020 0.000 2.386 502 G HA2 -0.015 3.944 3.960 -0.001 0.000 0.295 502 G HA3 -0.015 3.944 3.960 -0.001 0.000 0.295 502 G C 1.217 176.126 174.900 0.015 0.000 0.979 502 G CA 0.409 45.520 45.100 0.019 0.000 1.193 502 G HN 1.601 nan 8.290 nan 0.000 0.508 503 G N 0.366 109.170 108.800 0.007 0.000 4.148 503 G HA2 -0.293 3.666 3.960 -0.001 0.000 0.221 503 G HA3 -0.293 3.666 3.960 -0.001 0.000 0.221 503 G C 0.936 175.839 174.900 0.006 0.000 1.373 503 G CA 1.425 46.529 45.100 0.005 0.000 0.940 503 G HN 2.062 nan 8.290 nan 0.000 0.610 504 R N 1.522 122.031 120.500 0.014 0.000 2.707 504 R HA 0.560 4.900 4.340 -0.001 0.000 0.270 504 R C 0.605 176.912 176.300 0.012 0.000 1.083 504 R CA 0.149 56.260 56.100 0.018 0.000 1.182 504 R CB 0.457 30.777 30.300 0.033 0.000 1.084 504 R HN 0.872 nan 8.270 nan 0.000 0.528 505 G N 0.884 109.691 108.800 0.012 0.000 2.367 505 G HA2 0.309 4.269 3.960 -0.001 0.000 0.314 505 G HA3 0.309 4.269 3.960 -0.001 0.000 0.314 505 G C -0.927 173.986 174.900 0.021 0.000 1.130 505 G CA -0.704 44.395 45.100 -0.002 0.000 0.864 505 G HN 0.460 nan 8.290 nan 0.000 0.486 506 Q N 0.195 119.987 119.800 -0.013 0.000 2.353 506 Q HA 0.338 4.678 4.340 -0.001 0.000 0.268 506 Q C -1.908 174.094 176.000 0.002 0.000 1.045 506 Q CA -0.799 55.025 55.803 0.035 0.000 0.811 506 Q CB 2.934 31.742 28.738 0.116 0.000 1.305 506 Q HN 0.636 nan 8.270 nan 0.000 0.447 507 Y N -0.020 120.226 120.300 -0.090 0.000 2.317 507 Y HA 0.571 5.121 4.550 -0.001 0.000 0.325 507 Y C -0.882 174.828 175.900 -0.318 0.000 1.066 507 Y CA -0.565 57.441 58.100 -0.158 0.000 1.203 507 Y CB 1.506 39.903 38.460 -0.106 0.000 1.127 507 Y HN 0.646 nan 8.280 nan 0.000 0.451 508 G N 4.724 113.163 108.800 -0.602 0.000 2.609 508 G HA2 0.392 4.352 3.960 -0.001 0.000 0.308 508 G HA3 0.392 4.352 3.960 -0.001 0.000 0.308 508 G C -2.275 172.156 174.900 -0.782 0.000 1.369 508 G CA -0.664 43.778 45.100 -1.096 0.000 0.958 508 G HN 0.773 nan 8.290 nan 0.000 0.499 509 H N 1.627 120.237 119.070 -0.768 0.000 2.823 509 H HA 0.557 5.113 4.556 -0.001 0.000 0.332 509 H C -1.038 174.334 175.328 0.073 0.000 0.980 509 H CA -0.773 55.122 56.048 -0.255 0.000 1.286 509 H CB 2.042 31.737 29.762 -0.113 0.000 1.541 509 H HN 0.549 nan 8.280 nan 0.000 0.521 510 V N 2.350 122.256 119.914 -0.014 0.000 2.914 510 V HA 0.595 4.715 4.120 -0.001 0.000 0.314 510 V C -1.075 174.912 176.094 -0.179 0.000 1.084 510 V CA -0.994 61.263 62.300 -0.071 0.000 0.963 510 V CB 2.263 34.149 31.823 0.106 0.000 1.025 510 V HN 0.692 nan 8.190 nan 0.000 0.432 511 K N 5.093 125.315 120.400 -0.296 0.000 2.616 511 K HA 0.563 4.883 4.320 -0.001 0.000 0.241 511 K C -0.873 175.470 176.600 -0.427 0.000 0.961 511 K CA -0.307 55.761 56.287 -0.364 0.000 0.942 511 K CB 2.101 34.250 32.500 -0.584 0.000 1.153 511 K HN 0.938 nan 8.250 nan 0.000 0.452 512 I N -1.354 119.200 120.570 -0.028 0.000 2.707 512 I HA 0.508 4.678 4.170 -0.001 0.000 0.309 512 I C -0.696 175.613 176.117 0.321 0.000 1.001 512 I CA -0.974 60.417 61.300 0.152 0.000 1.129 512 I CB 1.477 39.560 38.000 0.138 0.000 1.308 512 I HN 0.194 nan 8.210 nan 0.000 0.466 513 K N 3.919 124.493 120.400 0.290 0.000 2.394 513 K HA 0.632 4.951 4.320 -0.001 0.000 0.260 513 K C -1.463 175.185 176.600 0.081 0.000 0.967 513 K CA -0.633 55.744 56.287 0.151 0.000 0.855 513 K CB 2.347 34.852 32.500 0.008 0.000 1.101 513 K HN 0.494 nan 8.250 nan 0.000 0.433 514 V N 3.507 123.466 119.914 0.076 0.000 2.448 514 V HA 0.350 4.470 4.120 -0.001 0.000 0.295 514 V C -0.350 175.773 176.094 0.049 0.000 1.025 514 V CA -0.823 61.520 62.300 0.071 0.000 0.859 514 V CB 1.447 33.327 31.823 0.094 0.000 0.988 514 V HN 0.832 nan 8.190 nan 0.000 0.431 515 E N 5.475 125.699 120.200 0.040 0.000 2.343 515 E HA 0.604 4.953 4.350 -0.001 0.000 0.270 515 E C -3.050 173.573 176.600 0.039 0.000 0.895 515 E CA -2.491 53.926 56.400 0.029 0.000 0.767 515 E CB 2.789 32.493 29.700 0.007 0.000 1.248 515 E HN 0.400 nan 8.360 nan 0.000 0.440 516 P HA 0.036 nan 4.420 nan 0.000 0.267 516 P C -0.797 176.523 177.300 0.034 0.000 1.205 516 P CA -0.330 62.793 63.100 0.038 0.000 0.765 516 P CB 0.701 32.418 31.700 0.029 0.000 0.828 517 L N 6.838 128.088 121.223 0.045 0.000 2.360 517 L HA 0.533 4.872 4.340 -0.001 0.000 0.271 517 L C -2.171 174.719 176.870 0.034 0.000 1.057 517 L CA -2.451 52.413 54.840 0.039 0.000 0.803 517 L CB 0.526 42.620 42.059 0.057 0.000 1.207 517 L HN 0.256 nan 8.230 nan 0.000 0.445 518 P HA 0.075 nan 4.420 nan 0.000 0.264 518 P C -1.009 176.306 177.300 0.025 0.000 1.193 518 P CA -0.398 62.712 63.100 0.016 0.000 0.763 518 P CB 0.291 31.995 31.700 0.006 0.000 0.810 519 R N 3.410 123.922 120.500 0.021 0.000 2.730 519 R HA 0.124 4.463 4.340 -0.001 0.000 0.327 519 R C 1.407 177.730 176.300 0.039 0.000 0.825 519 R CA 1.869 57.990 56.100 0.035 0.000 1.130 519 R CB -1.621 28.690 30.300 0.018 0.000 0.883 519 R HN 0.835 nan 8.270 nan 0.000 0.407 520 G N 1.817 110.667 108.800 0.083 0.000 2.195 520 G HA2 -0.280 3.679 3.960 -0.001 0.000 0.224 520 G HA3 -0.280 3.679 3.960 -0.001 0.000 0.224 520 G C 0.972 175.926 174.900 0.091 0.000 0.990 520 G CA 0.291 45.452 45.100 0.101 0.000 0.639 520 G HN 0.564 nan 8.290 nan 0.000 0.514 521 S N 0.355 116.099 115.700 0.073 0.000 2.447 521 S HA 0.339 4.809 4.470 -0.001 0.000 0.233 521 S C 2.244 176.899 174.600 0.093 0.000 1.006 521 S CA 1.852 60.093 58.200 0.067 0.000 0.957 521 S CB -0.302 62.927 63.200 0.048 0.000 0.773 521 S HN 2.288 nan 8.310 nan 0.000 0.507 522 G N 1.188 110.059 108.800 0.118 0.000 2.554 522 G HA2 -0.248 3.712 3.960 -0.001 0.000 0.253 522 G HA3 -0.248 3.712 3.960 -0.001 0.000 0.253 522 G C -0.472 174.564 174.900 0.226 0.000 1.172 522 G CA 0.053 45.245 45.100 0.153 0.000 0.950 522 G HN 0.457 nan 8.290 nan 0.000 0.557 523 F N 2.360 122.337 119.950 0.045 0.000 2.563 523 F HA 0.801 5.327 4.527 -0.000 0.000 0.316 523 F C -0.393 175.447 175.800 0.066 0.000 1.076 523 F CA -0.633 57.399 58.000 0.054 0.000 0.921 523 F CB 2.241 41.273 39.000 0.054 0.000 1.209 523 F HN 0.773 nan 8.300 nan 0.000 0.462 524 E N 5.338 125.142 120.200 -0.660 0.000 2.291 524 E HA 0.335 4.685 4.350 -0.001 0.000 0.276 524 E C -2.296 173.837 176.600 -0.778 0.000 0.896 524 E CA -0.619 55.423 56.400 -0.596 0.000 0.774 524 E CB 1.664 31.224 29.700 -0.232 0.000 1.227 524 E HN 0.552 nan 8.360 nan 0.000 0.413 525 F N 4.988 124.495 119.950 -0.739 0.000 2.467 525 F HA 0.547 5.074 4.527 -0.001 0.000 0.336 525 F C -1.592 174.093 175.800 -0.192 0.000 1.123 525 F CA -0.547 57.201 58.000 -0.420 0.000 0.964 525 F CB 1.317 40.142 39.000 -0.292 0.000 1.136 525 F HN 0.212 nan 8.300 nan 0.000 0.447 526 V N 5.489 124.905 119.914 -0.830 0.000 2.409 526 V HA 0.266 4.386 4.120 -0.001 0.000 0.291 526 V C -0.800 174.887 176.094 -0.677 0.000 1.020 526 V CA -0.881 61.119 62.300 -0.500 0.000 0.848 526 V CB 1.613 33.256 31.823 -0.299 0.000 0.990 526 V HN 0.715 nan 8.190 nan 0.000 0.430 527 N N 4.131 122.668 118.700 -0.273 0.000 2.500 527 N HA 0.429 5.169 4.740 -0.001 0.000 0.236 527 N C 0.441 175.931 175.510 -0.034 0.000 1.022 527 N CA -0.011 52.993 53.050 -0.076 0.000 0.935 527 N CB 1.646 40.260 38.487 0.212 0.000 1.147 527 N HN 0.731 nan 8.380 nan 0.000 0.512 528 A N 4.576 127.377 122.820 -0.032 0.000 2.337 528 A HA 0.216 4.536 4.320 -0.001 0.000 0.227 528 A C 0.682 178.295 177.584 0.049 0.000 1.259 528 A CA -0.364 51.683 52.037 0.016 0.000 0.870 528 A CB -0.391 18.631 19.000 0.038 0.000 0.927 528 A HN 0.622 nan 8.150 nan 0.000 0.497 529 I N 0.166 120.763 120.570 0.044 0.000 2.948 529 I HA -0.078 4.092 4.170 -0.001 0.000 0.303 529 I C 1.341 177.480 176.117 0.037 0.000 1.224 529 I CA 0.731 62.056 61.300 0.041 0.000 1.442 529 I CB 0.844 38.863 38.000 0.031 0.000 1.328 529 I HN 0.108 nan 8.210 nan 0.000 0.578 530 V N 4.604 124.543 119.914 0.042 0.000 3.137 530 V HA 0.177 4.297 4.120 -0.001 0.000 0.236 530 V C 1.340 177.454 176.094 0.033 0.000 1.260 530 V CA 0.859 63.181 62.300 0.037 0.000 1.244 530 V CB 0.685 32.535 31.823 0.045 0.000 1.016 530 V HN 0.887 nan 8.190 nan 0.000 0.477 531 G N -0.486 108.341 108.800 0.045 0.000 4.222 531 G HA2 0.462 4.422 3.960 -0.001 0.000 0.301 531 G HA3 0.462 4.422 3.960 -0.001 0.000 0.301 531 G C 1.068 175.997 174.900 0.050 0.000 1.171 531 G CA 0.381 45.509 45.100 0.047 0.000 0.937 531 G HN 0.889 nan 8.290 nan 0.000 0.557 532 G N -0.524 108.289 108.800 0.021 0.000 2.160 532 G HA2 -0.324 3.636 3.960 -0.001 0.000 0.251 532 G HA3 -0.324 3.636 3.960 -0.001 0.000 0.251 532 G C 1.240 176.171 174.900 0.051 0.000 1.008 532 G CA 0.452 45.544 45.100 -0.014 0.000 0.724 532 G HN 0.639 nan 8.290 nan 0.000 0.514 533 V N -0.385 119.584 119.914 0.092 0.000 2.392 533 V HA 0.003 4.122 4.120 -0.001 0.000 0.249 533 V C 1.610 177.840 176.094 0.227 0.000 1.059 533 V CA 2.043 64.449 62.300 0.177 0.000 1.051 533 V CB -0.185 31.705 31.823 0.112 0.000 0.658 533 V HN 0.553 nan 8.190 nan 0.000 0.455 534 I N 0.693 121.303 120.570 0.068 0.000 2.448 534 I HA 0.332 4.502 4.170 -0.001 0.000 0.281 534 I C -2.645 173.361 176.117 -0.185 0.000 1.027 534 I CA -2.005 59.284 61.300 -0.018 0.000 1.111 534 I CB 2.001 39.961 38.000 -0.067 0.000 1.236 534 I HN 0.058 nan 8.210 nan 0.000 0.452 535 P HA -0.098 nan 4.420 nan 0.000 0.257 535 P C 0.267 177.363 177.300 -0.339 0.000 1.162 535 P CA 0.024 62.901 63.100 -0.371 0.000 0.762 535 P CB 0.430 31.860 31.700 -0.450 0.000 0.753 536 K N 3.993 124.235 120.400 -0.263 0.000 2.189 536 K HA -0.265 4.054 4.320 -0.001 0.000 0.207 536 K C 1.127 177.549 176.600 -0.297 0.000 1.046 536 K CA 1.954 58.111 56.287 -0.216 0.000 0.928 536 K CB -1.136 31.272 32.500 -0.154 0.000 0.720 536 K HN 0.486 nan 8.250 nan 0.000 0.458 537 E N -0.309 119.611 120.200 -0.467 0.000 2.233 537 E HA -0.214 4.136 4.350 -0.001 0.000 0.199 537 E C 1.025 177.255 176.600 -0.617 0.000 1.004 537 E CA 1.447 57.487 56.400 -0.601 0.000 0.819 537 E CB -0.381 28.799 29.700 -0.866 0.000 0.738 537 E HN 0.594 nan 8.360 nan 0.000 0.478 538 Y N -0.689 119.468 120.300 -0.239 0.000 2.442 538 Y HA 0.148 4.698 4.550 -0.000 0.000 0.250 538 Y C 1.897 177.666 175.900 -0.219 0.000 1.113 538 Y CA -0.546 57.398 58.100 -0.259 0.000 1.273 538 Y CB 0.146 38.274 38.460 -0.554 0.000 1.138 538 Y HN -0.042 nan 8.280 nan 0.000 0.522 539 I N 2.181 122.697 120.570 -0.090 0.000 2.113 539 I HA -0.266 3.904 4.170 -0.001 0.000 0.242 539 I C -0.232 175.832 176.117 -0.087 0.000 1.057 539 I CA 1.878 63.145 61.300 -0.055 0.000 1.314 539 I CB -2.235 35.748 38.000 -0.029 0.000 1.022 539 I HN 0.138 nan 8.210 nan 0.000 0.408 540 P HA -0.127 nan 4.420 nan 0.000 0.217 540 P C 1.536 178.791 177.300 -0.075 0.000 1.150 540 P CA 2.051 65.086 63.100 -0.108 0.000 0.832 540 P CB -0.017 31.639 31.700 -0.074 0.000 0.787 541 A N 0.081 122.899 122.820 -0.003 0.000 1.972 541 A HA -0.104 4.215 4.320 -0.001 0.000 0.219 541 A C 2.421 180.035 177.584 0.050 0.000 1.169 541 A CA 1.636 53.703 52.037 0.051 0.000 0.635 541 A CB -1.647 17.448 19.000 0.158 0.000 0.810 541 A HN 0.177 nan 8.150 nan 0.000 0.446 542 V N -0.423 119.524 119.914 0.054 0.000 2.871 542 V HA -0.181 3.938 4.120 -0.001 0.000 0.256 542 V C 2.177 178.258 176.094 -0.022 0.000 1.082 542 V CA 2.122 64.470 62.300 0.081 0.000 1.105 542 V CB -0.488 31.437 31.823 0.169 0.000 0.713 542 V HN 0.702 nan 8.190 nan 0.000 0.473 543 Q N -0.220 119.482 119.800 -0.164 0.000 2.137 543 Q HA -0.169 4.171 4.340 -0.001 0.000 0.198 543 Q C 2.254 178.188 176.000 -0.110 0.000 0.960 543 Q CA 1.549 57.189 55.803 -0.272 0.000 0.847 543 Q CB -0.193 28.255 28.738 -0.484 0.000 0.915 543 Q HN 0.591 nan 8.270 nan 0.000 0.448 544 K N 0.561 120.913 120.400 -0.081 0.000 2.097 544 K HA -0.140 4.180 4.320 -0.001 0.000 0.206 544 K C 1.986 178.554 176.600 -0.052 0.000 1.049 544 K CA 1.389 57.643 56.287 -0.055 0.000 0.933 544 K CB -0.260 32.218 32.500 -0.038 0.000 0.717 544 K HN 0.248 nan 8.250 nan 0.000 0.442 545 G N 1.331 110.108 108.800 -0.039 0.000 2.402 545 G HA2 -0.191 3.768 3.960 -0.001 0.000 0.216 545 G HA3 -0.191 3.768 3.960 -0.001 0.000 0.216 545 G C 1.493 176.368 174.900 -0.042 0.000 1.162 545 G CA 0.820 45.895 45.100 -0.042 0.000 0.777 545 G HN 0.264 nan 8.290 nan 0.000 0.539 546 I N 0.500 121.057 120.570 -0.022 0.000 2.202 546 I HA -0.116 4.054 4.170 -0.001 0.000 0.242 546 I C 2.622 178.667 176.117 -0.120 0.000 1.091 546 I CA 1.373 62.660 61.300 -0.022 0.000 1.368 546 I CB -0.310 37.743 38.000 0.088 0.000 1.058 546 I HN 0.290 nan 8.210 nan 0.000 0.410 547 E N 1.607 121.724 120.200 -0.138 0.000 2.097 547 E HA -0.297 4.053 4.350 -0.001 0.000 0.196 547 E C 1.936 178.444 176.600 -0.153 0.000 1.000 547 E CA 1.790 58.073 56.400 -0.195 0.000 0.804 547 E CB 0.008 29.637 29.700 -0.118 0.000 0.740 547 E HN 0.537 nan 8.360 nan 0.000 0.454 548 E N -0.455 119.681 120.200 -0.107 0.000 2.158 548 E HA -0.049 4.300 4.350 -0.001 0.000 0.191 548 E C 1.677 178.224 176.600 -0.089 0.000 0.982 548 E CA 0.757 57.102 56.400 -0.091 0.000 0.823 548 E CB 0.049 29.703 29.700 -0.076 0.000 0.766 548 E HN 0.346 nan 8.360 nan 0.000 0.468 549 A N 0.115 122.884 122.820 -0.085 0.000 2.238 549 A HA 0.057 4.376 4.320 -0.001 0.000 0.208 549 A C 1.738 179.276 177.584 -0.078 0.000 1.177 549 A CA 0.341 52.336 52.037 -0.070 0.000 0.804 549 A CB -0.099 18.870 19.000 -0.050 0.000 0.823 549 A HN 0.138 nan 8.150 nan 0.000 0.482 550 M N -1.215 118.317 119.600 -0.113 0.000 2.465 550 M HA 0.012 4.491 4.480 -0.001 0.000 0.249 550 M C 1.413 177.643 176.300 -0.116 0.000 1.130 550 M CA 0.389 55.610 55.300 -0.132 0.000 1.067 550 M CB 0.031 32.492 32.600 -0.233 0.000 1.394 550 M HN 0.455 nan 8.290 nan 0.000 0.483 551 Q N -0.105 119.629 119.800 -0.110 0.000 2.515 551 Q HA 0.018 4.358 4.340 -0.001 0.000 0.212 551 Q C 0.300 176.243 176.000 -0.094 0.000 0.970 551 Q CA 0.391 56.132 55.803 -0.102 0.000 0.941 551 Q CB 0.190 28.870 28.738 -0.098 0.000 0.998 551 Q HN 0.175 nan 8.270 nan 0.000 0.518 552 S N -0.056 115.600 115.700 -0.074 0.000 2.446 552 S HA 0.433 4.903 4.470 -0.001 0.000 0.230 552 S C -0.183 174.403 174.600 -0.023 0.000 1.051 552 S CA -0.651 57.514 58.200 -0.058 0.000 1.113 552 S CB 0.450 63.609 63.200 -0.068 0.000 1.184 552 S HN 0.328 nan 8.310 nan 0.000 0.435 553 G N 4.401 113.208 108.800 0.012 0.000 2.684 553 G HA2 0.396 4.356 3.960 -0.001 0.000 0.255 553 G HA3 0.396 4.356 3.960 -0.001 0.000 0.255 553 G C -1.220 173.698 174.900 0.030 0.000 1.219 553 G CA -0.915 44.201 45.100 0.027 0.000 0.901 553 G HN 0.511 nan 8.290 nan 0.000 0.548 554 P HA -0.037 nan 4.420 nan 0.000 0.216 554 P C 2.188 179.512 177.300 0.040 0.000 1.156 554 P CA 0.677 63.794 63.100 0.028 0.000 0.855 554 P CB 0.195 31.909 31.700 0.023 0.000 0.786 555 L N 0.027 121.278 121.223 0.047 0.000 2.021 555 L HA -0.125 4.214 4.340 -0.001 0.000 0.215 555 L C 2.246 179.161 176.870 0.075 0.000 1.074 555 L CA 2.076 56.948 54.840 0.052 0.000 0.760 555 L CB -0.832 41.255 42.059 0.048 0.000 0.889 555 L HN 0.081 nan 8.230 nan 0.000 0.433 556 I N -5.433 115.207 120.570 0.117 0.000 4.051 556 I HA 0.403 4.572 4.170 -0.001 0.000 0.333 556 I C 0.861 177.097 176.117 0.199 0.000 1.399 556 I CA 0.118 61.523 61.300 0.175 0.000 1.087 556 I CB 0.522 38.672 38.000 0.250 0.000 1.625 556 I HN 0.147 nan 8.210 nan 0.000 0.617 557 G N 1.659 110.522 108.800 0.105 0.000 2.225 557 G HA2 -0.308 3.651 3.960 -0.001 0.000 0.267 557 G HA3 -0.308 3.651 3.960 -0.001 0.000 0.267 557 G C -0.235 174.632 174.900 -0.055 0.000 1.024 557 G CA 0.383 45.490 45.100 0.012 0.000 0.784 557 G HN 0.457 nan 8.290 nan 0.000 0.507 558 F N 0.029 119.974 119.950 -0.009 0.000 2.440 558 F HA 0.570 5.097 4.527 -0.001 0.000 0.328 558 F C -1.632 174.139 175.800 -0.048 0.000 1.070 558 F CA -2.386 55.604 58.000 -0.017 0.000 1.011 558 F CB 1.428 40.430 39.000 0.003 0.000 1.226 558 F HN -0.156 nan 8.300 nan 0.000 0.491 559 P HA -0.021 nan 4.420 nan 0.000 0.263 559 P C -1.082 176.203 177.300 -0.025 0.000 1.175 559 P CA 0.126 63.218 63.100 -0.014 0.000 0.761 559 P CB 0.281 31.935 31.700 -0.076 0.000 0.794 560 V N 4.649 124.528 119.914 -0.058 0.000 2.465 560 V HA 0.436 4.556 4.120 -0.001 0.000 0.279 560 V C 0.710 176.760 176.094 -0.073 0.000 1.045 560 V CA -0.139 62.132 62.300 -0.048 0.000 0.938 560 V CB 1.140 32.935 31.823 -0.046 0.000 0.986 560 V HN 0.471 nan 8.190 nan 0.000 0.467 561 V N 0.607 120.498 119.914 -0.037 0.000 3.182 561 V HA 0.733 4.853 4.120 -0.001 0.000 0.308 561 V C -0.683 175.441 176.094 0.050 0.000 1.240 561 V CA -1.077 61.215 62.300 -0.013 0.000 1.063 561 V CB 2.004 33.791 31.823 -0.061 0.000 1.076 561 V HN 0.704 nan 8.190 nan 0.000 0.446 562 D N 0.687 121.141 120.400 0.091 0.000 2.746 562 D HA -0.147 4.493 4.640 -0.001 0.000 0.241 562 D C -0.401 175.963 176.300 0.106 0.000 1.140 562 D CA 1.790 55.850 54.000 0.100 0.000 0.707 562 D CB -1.267 39.580 40.800 0.078 0.000 1.034 562 D HN 1.209 nan 8.370 nan 0.000 0.423 563 I N -3.854 116.815 120.570 0.164 0.000 2.802 563 I HA 0.551 4.721 4.170 -0.001 0.000 0.298 563 I C -0.610 175.631 176.117 0.206 0.000 1.176 563 I CA -1.200 60.200 61.300 0.166 0.000 1.025 563 I CB 2.632 40.732 38.000 0.166 0.000 1.243 563 I HN -0.152 nan 8.210 nan 0.000 0.424 564 K N 4.315 124.784 120.400 0.115 0.000 2.235 564 K HA 0.695 5.015 4.320 -0.001 0.000 0.266 564 K C -1.721 174.913 176.600 0.056 0.000 0.980 564 K CA -0.621 55.689 56.287 0.038 0.000 0.849 564 K CB 1.992 34.483 32.500 -0.015 0.000 1.098 564 K HN 0.640 nan 8.250 nan 0.000 0.445 565 V N 3.702 123.633 119.914 0.028 0.000 2.378 565 V HA 0.289 4.409 4.120 -0.001 0.000 0.288 565 V C -0.625 175.326 176.094 -0.238 0.000 1.016 565 V CA -0.643 61.685 62.300 0.048 0.000 0.840 565 V CB 1.715 33.750 31.823 0.354 0.000 0.994 565 V HN 0.824 nan 8.190 nan 0.000 0.431 566 T N 6.277 120.743 114.554 -0.148 0.000 2.842 566 T HA 0.410 4.759 4.350 -0.001 0.000 0.308 566 T C -0.453 174.225 174.700 -0.036 0.000 1.041 566 T CA -0.240 61.732 62.100 -0.213 0.000 0.964 566 T CB 0.985 69.791 68.868 -0.104 0.000 0.972 566 T HN 0.462 nan 8.240 nan 0.000 0.460 567 L N 5.696 126.827 121.223 -0.154 0.000 2.325 567 L HA 0.352 4.692 4.340 -0.001 0.000 0.284 567 L C 0.255 177.151 176.870 0.044 0.000 1.089 567 L CA 0.086 54.930 54.840 0.006 0.000 0.836 567 L CB -0.207 41.933 42.059 0.136 0.000 1.184 567 L HN 0.734 nan 8.230 nan 0.000 0.444 568 Y N 1.389 121.678 120.300 -0.017 0.000 2.426 568 Y HA 0.564 5.113 4.550 -0.001 0.000 0.249 568 Y C 0.082 175.986 175.900 0.006 0.000 1.103 568 Y CA -0.677 57.414 58.100 -0.014 0.000 1.256 568 Y CB 0.143 38.590 38.460 -0.022 0.000 1.208 568 Y HN 0.531 nan 8.280 nan 0.000 0.519 569 D N -0.886 119.171 120.400 -0.572 0.000 2.759 569 D HA 0.597 5.236 4.640 -0.001 0.000 0.321 569 D C -0.144 175.959 176.300 -0.328 0.000 1.267 569 D CA 0.561 54.352 54.000 -0.348 0.000 0.933 569 D CB 1.784 42.364 40.800 -0.367 0.000 1.431 569 D HN 0.451 nan 8.370 nan 0.000 0.504 570 G N -0.458 108.179 108.800 -0.272 0.000 2.332 570 G HA2 0.546 4.506 3.960 -0.001 0.000 0.265 570 G HA3 0.546 4.506 3.960 -0.001 0.000 0.265 570 G C -1.403 173.482 174.900 -0.025 0.000 1.329 570 G CA 0.351 45.194 45.100 -0.428 0.000 0.949 570 G HN 1.388 nan 8.290 nan 0.000 0.476 571 S N -1.644 114.228 115.700 0.286 0.000 2.615 571 S HA 0.833 5.303 4.470 -0.001 0.000 0.268 571 S C -1.164 173.907 174.600 0.786 0.000 1.146 571 S CA -0.055 58.455 58.200 0.516 0.000 0.818 571 S CB 1.679 65.186 63.200 0.511 0.000 1.111 571 S HN 2.388 nan 8.310 nan 0.000 0.465 572 Y N -2.796 117.725 120.300 0.370 0.000 2.615 572 Y HA 0.866 5.416 4.550 -0.001 0.000 0.341 572 Y C -0.391 175.395 175.900 -0.191 0.000 1.089 572 Y CA -0.825 57.455 58.100 0.299 0.000 1.049 572 Y CB 0.058 38.761 38.460 0.405 0.000 1.296 572 Y HN 1.257 nan 8.280 nan 0.000 0.470 573 H N 0.863 119.796 119.070 -0.227 0.000 2.551 573 H HA 0.396 4.952 4.556 -0.001 0.000 0.321 573 H C 0.698 176.029 175.328 0.005 0.000 1.028 573 H CA -0.295 55.524 56.048 -0.382 0.000 1.215 573 H CB 0.795 30.282 29.762 -0.458 0.000 1.414 573 H HN 0.900 nan 8.280 nan 0.000 0.480 574 E N 1.820 121.998 120.200 -0.037 0.000 2.172 574 E HA -0.243 4.106 4.350 -0.001 0.000 0.213 574 E C 1.518 178.208 176.600 0.150 0.000 1.051 574 E CA 2.064 58.545 56.400 0.135 0.000 0.860 574 E CB -0.186 29.540 29.700 0.044 0.000 0.755 574 E HN 0.456 nan 8.360 nan 0.000 0.462 575 V N 0.596 120.557 119.914 0.077 0.000 3.212 575 V HA -0.034 4.085 4.120 -0.001 0.000 0.244 575 V C 0.944 177.095 176.094 0.095 0.000 1.151 575 V CA 1.120 63.471 62.300 0.086 0.000 1.119 575 V CB 0.342 32.195 31.823 0.049 0.000 0.838 575 V HN 0.052 nan 8.190 nan 0.000 0.470 576 D N 0.734 121.174 120.400 0.067 0.000 2.277 576 D HA 0.053 4.692 4.640 -0.001 0.000 0.208 576 D C 1.305 177.687 176.300 0.136 0.000 0.962 576 D CA 0.514 54.563 54.000 0.082 0.000 0.865 576 D CB -0.053 40.779 40.800 0.053 0.000 0.939 576 D HN 0.409 nan 8.370 nan 0.000 0.510 577 S N -0.139 115.672 115.700 0.186 0.000 2.587 577 S HA 0.363 4.833 4.470 -0.001 0.000 0.260 577 S C 0.483 175.161 174.600 0.131 0.000 1.353 577 S CA -0.221 58.097 58.200 0.196 0.000 0.995 577 S CB 0.807 64.223 63.200 0.360 0.000 0.912 577 S HN 0.347 nan 8.310 nan 0.000 0.568 578 S N -0.324 115.342 115.700 -0.057 0.000 2.611 578 S HA 0.294 4.764 4.470 -0.001 0.000 0.270 578 S C 0.104 174.704 174.600 -0.001 0.000 1.131 578 S CA -0.917 57.330 58.200 0.078 0.000 0.826 578 S CB 0.636 63.919 63.200 0.138 0.000 1.095 578 S HN 0.591 nan 8.310 nan 0.000 0.461 579 E N 0.282 120.673 120.200 0.318 0.000 2.160 579 E HA -0.167 4.183 4.350 -0.001 0.000 0.195 579 E C 1.676 178.369 176.600 0.155 0.000 0.991 579 E CA 1.416 58.018 56.400 0.338 0.000 0.810 579 E CB -0.181 29.685 29.700 0.277 0.000 0.742 579 E HN 0.632 nan 8.360 nan 0.000 0.466 580 M N 0.422 120.078 119.600 0.093 0.000 2.099 580 M HA -0.141 4.339 4.480 -0.001 0.000 0.262 580 M C 2.332 178.588 176.300 -0.072 0.000 1.067 580 M CA 1.551 56.856 55.300 0.008 0.000 1.124 580 M CB -0.052 32.559 32.600 0.020 0.000 1.353 580 M HN 0.119 nan 8.290 nan 0.000 0.410 581 A N -0.080 122.739 122.820 -0.002 0.000 1.902 581 A HA -0.181 4.138 4.320 -0.001 0.000 0.217 581 A C 1.767 179.236 177.584 -0.191 0.000 1.181 581 A CA 1.569 53.611 52.037 0.010 0.000 0.623 581 A CB -1.167 17.866 19.000 0.056 0.000 0.818 581 A HN 0.569 nan 8.150 nan 0.000 0.443 582 F N -0.044 119.848 119.950 -0.097 0.000 2.206 582 F HA -0.075 4.452 4.527 -0.000 0.000 0.298 582 F C 2.367 178.128 175.800 -0.065 0.000 1.090 582 F CA 1.641 59.598 58.000 -0.071 0.000 1.323 582 F CB 0.008 38.957 39.000 -0.085 0.000 1.028 582 F HN 0.105 nan 8.300 nan 0.000 0.492 583 K N 1.174 121.618 120.400 0.073 0.000 1.991 583 K HA -0.200 4.119 4.320 -0.001 0.000 0.212 583 K C 2.025 178.568 176.600 -0.095 0.000 1.049 583 K CA 1.862 58.147 56.287 -0.004 0.000 0.932 583 K CB -0.692 31.791 32.500 -0.030 0.000 0.717 583 K HN 0.264 nan 8.250 nan 0.000 0.441 584 I N 0.946 121.372 120.570 -0.240 0.000 2.286 584 I HA -0.238 3.931 4.170 -0.001 0.000 0.248 584 I C 2.496 178.478 176.117 -0.225 0.000 1.115 584 I CA 1.034 62.117 61.300 -0.363 0.000 1.392 584 I CB -0.386 37.082 38.000 -0.887 0.000 1.065 584 I HN 0.189 nan 8.210 nan 0.000 0.418 585 A N 1.045 123.770 122.820 -0.160 0.000 1.933 585 A HA -0.111 4.208 4.320 -0.001 0.000 0.218 585 A C 2.432 180.018 177.584 0.003 0.000 1.175 585 A CA 1.861 53.862 52.037 -0.061 0.000 0.628 585 A CB -1.248 17.684 19.000 -0.114 0.000 0.814 585 A HN 0.460 nan 8.150 nan 0.000 0.444 586 G N -1.097 107.718 108.800 0.026 0.000 2.403 586 G HA2 -0.131 3.829 3.960 -0.001 0.000 0.216 586 G HA3 -0.131 3.829 3.960 -0.001 0.000 0.216 586 G C 1.897 176.812 174.900 0.025 0.000 1.154 586 G CA 1.355 46.492 45.100 0.062 0.000 0.784 586 G HN 0.551 nan 8.290 nan 0.000 0.538 587 S N 0.083 115.769 115.700 -0.023 0.000 2.356 587 S HA -0.120 4.350 4.470 -0.001 0.000 0.223 587 S C 2.521 177.108 174.600 -0.023 0.000 1.032 587 S CA 1.685 59.861 58.200 -0.040 0.000 1.005 587 S CB -0.303 62.849 63.200 -0.081 0.000 0.867 587 S HN 0.371 nan 8.310 nan 0.000 0.449 588 M N 0.951 120.536 119.600 -0.024 0.000 2.086 588 M HA -0.050 4.430 4.480 -0.001 0.000 0.261 588 M C 2.550 178.861 176.300 0.019 0.000 1.067 588 M CA 1.520 56.818 55.300 -0.002 0.000 1.116 588 M CB -0.680 31.923 32.600 0.006 0.000 1.348 588 M HN 0.483 nan 8.290 nan 0.000 0.407 589 A N 0.376 123.216 122.820 0.034 0.000 1.917 589 A HA -0.198 4.122 4.320 -0.001 0.000 0.219 589 A C 2.067 179.685 177.584 0.057 0.000 1.182 589 A CA 1.808 53.878 52.037 0.054 0.000 0.633 589 A CB -0.781 18.263 19.000 0.073 0.000 0.819 589 A HN 0.400 nan 8.150 nan 0.000 0.448 590 I N -0.560 120.040 120.570 0.051 0.000 2.353 590 I HA -0.129 4.041 4.170 -0.001 0.000 0.248 590 I C 2.103 178.237 176.117 0.028 0.000 1.119 590 I CA 1.200 62.528 61.300 0.048 0.000 1.417 590 I CB -0.153 37.869 38.000 0.037 0.000 1.078 590 I HN 0.109 nan 8.210 nan 0.000 0.421 591 K N 0.074 120.483 120.400 0.015 0.000 2.057 591 K HA -0.216 4.104 4.320 -0.001 0.000 0.207 591 K C 2.071 178.683 176.600 0.020 0.000 1.049 591 K CA 1.354 57.647 56.287 0.009 0.000 0.931 591 K CB -0.431 32.070 32.500 0.002 0.000 0.714 591 K HN 0.269 nan 8.250 nan 0.000 0.440 592 E N 1.117 121.332 120.200 0.026 0.000 2.051 592 E HA -0.107 4.243 4.350 -0.001 0.000 0.192 592 E C 1.812 178.435 176.600 0.038 0.000 0.991 592 E CA 1.578 57.996 56.400 0.031 0.000 0.799 592 E CB -0.255 29.467 29.700 0.036 0.000 0.748 592 E HN 0.225 nan 8.360 nan 0.000 0.449 593 A N 0.020 122.868 122.820 0.047 0.000 1.877 593 A HA -0.138 4.182 4.320 -0.001 0.000 0.216 593 A C 2.527 180.138 177.584 0.045 0.000 1.186 593 A CA 1.749 53.819 52.037 0.054 0.000 0.620 593 A CB -0.788 18.255 19.000 0.070 0.000 0.822 593 A HN 0.208 nan 8.150 nan 0.000 0.443 594 V N 0.039 119.976 119.914 0.038 0.000 2.453 594 V HA -0.236 3.884 4.120 -0.001 0.000 0.247 594 V C 2.663 178.774 176.094 0.028 0.000 1.048 594 V CA 2.047 64.367 62.300 0.033 0.000 1.049 594 V CB -0.632 31.206 31.823 0.025 0.000 0.672 594 V HN 0.737 nan 8.190 nan 0.000 0.457 595 Q N -0.328 119.488 119.800 0.026 0.000 2.172 595 Q HA -0.180 4.160 4.340 -0.001 0.000 0.200 595 Q C 2.066 178.080 176.000 0.024 0.000 0.964 595 Q CA 1.020 56.837 55.803 0.023 0.000 0.855 595 Q CB 0.125 28.875 28.738 0.021 0.000 0.918 595 Q HN 0.404 nan 8.270 nan 0.000 0.444 596 K N -0.558 119.859 120.400 0.027 0.000 2.305 596 K HA 0.052 4.371 4.320 -0.001 0.000 0.199 596 K C 1.453 178.069 176.600 0.027 0.000 1.047 596 K CA 0.812 57.115 56.287 0.027 0.000 0.976 596 K CB 0.031 32.550 32.500 0.032 0.000 0.765 596 K HN 0.207 nan 8.250 nan 0.000 0.474 597 G N 1.594 110.411 108.800 0.029 0.000 3.374 597 G HA2 -0.054 3.906 3.960 -0.001 0.000 0.252 597 G HA3 -0.054 3.906 3.960 -0.001 0.000 0.252 597 G C -0.447 174.467 174.900 0.023 0.000 1.326 597 G CA -0.237 44.879 45.100 0.027 0.000 1.133 597 G HN 0.168 nan 8.290 nan 0.000 0.528 598 D N -0.018 120.394 120.400 0.021 0.000 2.882 598 D HA -0.130 4.510 4.640 -0.001 0.000 0.229 598 D C -1.637 174.674 176.300 0.019 0.000 1.167 598 D CA 1.146 55.156 54.000 0.018 0.000 0.759 598 D CB -1.052 39.757 40.800 0.015 0.000 1.088 598 D HN 0.435 nan 8.370 nan 0.000 0.425 599 P HA -0.106 nan 4.420 nan 0.000 0.273 599 P C -0.066 177.250 177.300 0.026 0.000 1.193 599 P CA 0.355 63.471 63.100 0.027 0.000 0.777 599 P CB 0.843 32.559 31.700 0.027 0.000 0.803 600 V N 3.940 123.870 119.914 0.027 0.000 2.808 600 V HA 0.286 4.405 4.120 -0.001 0.000 0.308 600 V C 0.376 176.486 176.094 0.027 0.000 1.099 600 V CA -1.273 61.042 62.300 0.024 0.000 0.920 600 V CB 1.710 33.545 31.823 0.020 0.000 1.014 600 V HN 0.372 nan 8.190 nan 0.000 0.425 601 I N 6.173 126.760 120.570 0.028 0.000 2.996 601 I HA -0.061 4.109 4.170 -0.001 0.000 0.311 601 I C -0.261 175.859 176.117 0.004 0.000 1.219 601 I CA 0.981 62.294 61.300 0.021 0.000 1.452 601 I CB 0.063 38.053 38.000 -0.017 0.000 1.319 601 I HN 0.368 nan 8.210 nan 0.000 0.564 602 L N 6.721 127.950 121.223 0.009 0.000 2.333 602 L HA 0.427 4.766 4.340 -0.001 0.000 0.280 602 L C -0.046 176.898 176.870 0.124 0.000 1.004 602 L CA -0.554 54.321 54.840 0.059 0.000 0.820 602 L CB 1.591 43.667 42.059 0.027 0.000 1.247 602 L HN 0.658 nan 8.230 nan 0.000 0.416 603 E N 4.512 124.803 120.200 0.152 0.000 2.244 603 E HA 0.582 4.932 4.350 -0.001 0.000 0.266 603 E C -2.796 173.851 176.600 0.077 0.000 0.914 603 E CA -2.369 54.095 56.400 0.106 0.000 0.794 603 E CB 2.208 31.876 29.700 -0.053 0.000 1.210 603 E HN 0.181 nan 8.360 nan 0.000 0.414 604 P HA 0.143 nan 4.420 nan 0.000 0.276 604 P C -0.544 176.610 177.300 -0.243 0.000 1.230 604 P CA -0.298 62.598 63.100 -0.341 0.000 0.776 604 P CB 0.655 32.170 31.700 -0.308 0.000 0.888 605 I N 4.578 124.905 120.570 -0.405 0.000 2.355 605 I HA 0.288 4.458 4.170 -0.001 0.000 0.288 605 I C 0.732 176.644 176.117 -0.342 0.000 0.999 605 I CA -0.990 60.019 61.300 -0.485 0.000 1.163 605 I CB 0.815 38.222 38.000 -0.988 0.000 1.316 605 I HN 0.246 nan 8.210 nan 0.000 0.454 606 M N 5.596 125.120 119.600 -0.127 0.000 2.274 606 M HA 0.340 4.819 4.480 -0.001 0.000 0.344 606 M C 0.303 176.669 176.300 0.110 0.000 1.161 606 M CA -0.358 54.934 55.300 -0.014 0.000 1.126 606 M CB 0.431 33.017 32.600 -0.022 0.000 1.522 606 M HN 0.410 nan 8.290 nan 0.000 0.461 607 R N 1.420 122.005 120.500 0.142 0.000 2.207 607 R HA 0.575 4.914 4.340 -0.001 0.000 0.334 607 R C -1.632 174.693 176.300 0.041 0.000 1.013 607 R CA -0.284 55.904 56.100 0.148 0.000 0.858 607 R CB 0.628 31.057 30.300 0.215 0.000 1.094 607 R HN 0.552 nan 8.270 nan 0.000 0.457 608 V N 4.452 124.358 119.914 -0.013 0.000 2.448 608 V HA 0.260 4.379 4.120 -0.001 0.000 0.295 608 V C -0.410 175.694 176.094 0.016 0.000 1.025 608 V CA -0.684 61.613 62.300 -0.006 0.000 0.859 608 V CB 1.731 33.520 31.823 -0.057 0.000 0.988 608 V HN 0.791 nan 8.190 nan 0.000 0.431 609 E N 3.326 123.566 120.200 0.068 0.000 2.073 609 E HA 0.433 4.783 4.350 -0.001 0.000 0.269 609 E C -1.126 175.568 176.600 0.157 0.000 0.917 609 E CA -0.345 56.106 56.400 0.085 0.000 0.757 609 E CB 1.877 31.631 29.700 0.091 0.000 1.111 609 E HN 0.490 nan 8.360 nan 0.000 0.410 610 V N 4.104 124.104 119.914 0.143 0.000 2.304 610 V HA 0.144 4.263 4.120 -0.001 0.000 0.269 610 V C 0.144 176.322 176.094 0.139 0.000 1.036 610 V CA -0.488 61.928 62.300 0.193 0.000 0.840 610 V CB 1.158 33.080 31.823 0.165 0.000 1.036 610 V HN 0.630 nan 8.190 nan 0.000 0.466 611 T N 4.167 118.805 114.554 0.140 0.000 2.761 611 T HA 0.436 4.785 4.350 -0.001 0.000 0.296 611 T C 0.221 174.989 174.700 0.112 0.000 0.934 611 T CA 0.203 62.366 62.100 0.105 0.000 1.091 611 T CB 0.958 69.879 68.868 0.088 0.000 0.896 611 T HN 0.790 nan 8.240 nan 0.000 0.515 612 T N 3.771 118.392 114.554 0.111 0.000 2.883 612 T HA 0.552 4.902 4.350 -0.001 0.000 0.301 612 T C -2.921 171.872 174.700 0.154 0.000 1.158 612 T CA -2.223 59.964 62.100 0.145 0.000 1.007 612 T CB 1.525 70.491 68.868 0.163 0.000 1.186 612 T HN 0.121 nan 8.240 nan 0.000 0.499 613 P HA 0.203 nan 4.420 nan 0.000 0.271 613 P C 0.908 178.232 177.300 0.040 0.000 1.218 613 P CA -0.133 63.048 63.100 0.135 0.000 0.780 613 P CB 0.513 32.337 31.700 0.206 0.000 0.901 614 E N 2.918 123.103 120.200 -0.025 0.000 2.068 614 E HA -0.302 4.048 4.350 -0.001 0.000 0.207 614 E C 1.599 178.131 176.600 -0.115 0.000 1.032 614 E CA 2.080 58.451 56.400 -0.050 0.000 0.839 614 E CB -0.247 29.421 29.700 -0.054 0.000 0.758 614 E HN 0.617 nan 8.360 nan 0.000 0.457 615 E N -0.063 119.985 120.200 -0.253 0.000 2.082 615 E HA -0.242 4.107 4.350 -0.001 0.000 0.215 615 E C 0.695 177.116 176.600 -0.297 0.000 1.048 615 E CA 1.586 57.766 56.400 -0.366 0.000 0.869 615 E CB -1.172 28.162 29.700 -0.611 0.000 0.773 615 E HN 0.395 nan 8.360 nan 0.000 0.466 616 Y N 0.831 121.137 120.300 0.011 0.000 2.568 616 Y HA 0.169 4.718 4.550 -0.001 0.000 0.338 616 Y C 1.229 177.138 175.900 0.016 0.000 1.245 616 Y CA -0.515 57.593 58.100 0.012 0.000 1.667 616 Y CB 0.137 38.604 38.460 0.012 0.000 1.568 616 Y HN 0.139 nan 8.280 nan 0.000 0.471 617 M N 1.273 120.930 119.600 0.095 0.000 2.935 617 M HA 0.240 4.720 4.480 -0.001 0.000 0.213 617 M C 2.116 178.455 176.300 0.066 0.000 1.427 617 M CA 1.136 56.477 55.300 0.068 0.000 1.367 617 M CB -0.645 31.971 32.600 0.027 0.000 1.038 617 M HN 0.641 nan 8.290 nan 0.000 0.547 618 G N 0.462 109.291 108.800 0.048 0.000 2.776 618 G HA2 -0.140 3.820 3.960 -0.001 0.000 0.209 618 G HA3 -0.140 3.820 3.960 -0.001 0.000 0.209 618 G C 0.601 175.534 174.900 0.055 0.000 1.145 618 G CA 0.762 45.888 45.100 0.043 0.000 0.791 618 G HN 0.519 nan 8.290 nan 0.000 0.530 619 D N 0.547 120.992 120.400 0.076 0.000 2.103 619 D HA -0.075 4.564 4.640 -0.001 0.000 0.199 619 D C 2.521 178.868 176.300 0.077 0.000 0.978 619 D CA 0.451 54.502 54.000 0.084 0.000 0.829 619 D CB -0.436 40.443 40.800 0.132 0.000 0.981 619 D HN 0.199 nan 8.370 nan 0.000 0.464 620 V N 1.196 121.162 119.914 0.087 0.000 2.719 620 V HA -0.088 4.031 4.120 -0.001 0.000 0.252 620 V C 2.187 178.328 176.094 0.079 0.000 1.065 620 V CA 0.616 62.966 62.300 0.083 0.000 1.086 620 V CB -0.138 31.739 31.823 0.090 0.000 0.700 620 V HN 0.189 nan 8.190 nan 0.000 0.467 621 I N 1.065 121.673 120.570 0.063 0.000 2.493 621 I HA -0.108 4.062 4.170 -0.001 0.000 0.254 621 I C 2.438 178.579 176.117 0.040 0.000 1.160 621 I CA 1.809 63.136 61.300 0.045 0.000 1.445 621 I CB -1.464 36.558 38.000 0.036 0.000 1.086 621 I HN 0.400 nan 8.210 nan 0.000 0.433 622 G N 0.191 109.018 108.800 0.045 0.000 2.430 622 G HA2 -0.212 3.747 3.960 -0.001 0.000 0.216 622 G HA3 -0.212 3.747 3.960 -0.001 0.000 0.216 622 G C 1.442 176.371 174.900 0.047 0.000 1.146 622 G CA 0.425 45.548 45.100 0.039 0.000 0.793 622 G HN 0.381 nan 8.290 nan 0.000 0.537 623 D N 0.817 121.259 120.400 0.070 0.000 2.097 623 D HA -0.083 4.556 4.640 -0.001 0.000 0.197 623 D C 2.506 178.864 176.300 0.097 0.000 0.984 623 D CA 0.612 54.674 54.000 0.105 0.000 0.826 623 D CB -0.077 40.811 40.800 0.146 0.000 0.973 623 D HN 0.297 nan 8.370 nan 0.000 0.460 624 L N 0.554 121.818 121.223 0.067 0.000 2.127 624 L HA -0.162 4.177 4.340 -0.001 0.000 0.211 624 L C 2.195 179.055 176.870 -0.015 0.000 1.089 624 L CA 1.090 55.930 54.840 0.001 0.000 0.757 624 L CB -0.475 41.572 42.059 -0.021 0.000 0.899 624 L HN 0.095 nan 8.230 nan 0.000 0.434 625 N N -0.421 118.280 118.700 0.001 0.000 2.331 625 N HA -0.093 4.647 4.740 -0.001 0.000 0.180 625 N C 1.885 177.382 175.510 -0.022 0.000 1.019 625 N CA 0.755 53.800 53.050 -0.008 0.000 0.881 625 N CB -0.060 38.429 38.487 0.004 0.000 0.972 625 N HN 0.303 nan 8.380 nan 0.000 0.435 626 A N 1.414 124.226 122.820 -0.013 0.000 1.968 626 A HA -0.001 4.318 4.320 -0.001 0.000 0.217 626 A C 1.692 179.215 177.584 -0.101 0.000 1.169 626 A CA 0.801 52.821 52.037 -0.029 0.000 0.638 626 A CB 0.050 19.058 19.000 0.013 0.000 0.812 626 A HN 0.126 nan 8.150 nan 0.000 0.446 627 R N -0.347 120.077 120.500 -0.126 0.000 2.391 627 R HA 0.122 4.461 4.340 -0.001 0.000 0.225 627 R C -0.233 175.931 176.300 -0.228 0.000 1.079 627 R CA 0.145 56.058 56.100 -0.312 0.000 1.147 627 R CB -0.599 29.571 30.300 -0.217 0.000 1.103 627 R HN 0.563 nan 8.270 nan 0.000 0.499 628 R N -0.706 119.710 120.500 -0.139 0.000 3.531 628 R HA -0.145 4.195 4.340 -0.001 0.000 0.280 628 R C 0.532 176.793 176.300 -0.065 0.000 1.130 628 R CA 0.643 56.686 56.100 -0.096 0.000 0.757 628 R CB -1.976 28.257 30.300 -0.111 0.000 1.218 628 R HN 0.412 nan 8.270 nan 0.000 0.454 629 G N 0.162 108.931 108.800 -0.051 0.000 2.535 629 G HA2 0.409 4.369 3.960 -0.001 0.000 0.303 629 G HA3 0.409 4.369 3.960 -0.001 0.000 0.303 629 G C -0.692 174.222 174.900 0.023 0.000 1.237 629 G CA -0.329 44.762 45.100 -0.015 0.000 0.986 629 G HN 0.146 nan 8.290 nan 0.000 0.494 630 Q N -0.205 119.633 119.800 0.064 0.000 2.374 630 Q HA 0.350 4.690 4.340 -0.001 0.000 0.250 630 Q C -1.276 174.750 176.000 0.043 0.000 0.918 630 Q CA -0.741 55.109 55.803 0.078 0.000 0.778 630 Q CB 1.330 30.160 28.738 0.153 0.000 1.328 630 Q HN 0.334 nan 8.270 nan 0.000 0.445 631 I N 4.228 124.803 120.570 0.008 0.000 2.648 631 I HA -0.044 4.125 4.170 -0.001 0.000 0.284 631 I C 0.651 176.744 176.117 -0.041 0.000 1.153 631 I CA 0.611 61.896 61.300 -0.025 0.000 1.426 631 I CB 0.822 38.815 38.000 -0.012 0.000 1.381 631 I HN 0.761 nan 8.210 nan 0.000 0.571 632 L N 5.260 126.427 121.223 -0.092 0.000 2.766 632 L HA 0.540 4.880 4.340 -0.001 0.000 0.242 632 L C 0.741 177.571 176.870 -0.066 0.000 1.136 632 L CA -0.091 54.688 54.840 -0.101 0.000 0.933 632 L CB -0.467 41.458 42.059 -0.224 0.000 1.241 632 L HN 0.886 nan 8.230 nan 0.000 0.522 633 G N 1.370 110.142 108.800 -0.047 0.000 2.334 633 G HA2 0.176 4.136 3.960 -0.001 0.000 0.566 633 G HA3 0.176 4.136 3.960 -0.001 0.000 0.566 633 G C -1.263 173.625 174.900 -0.020 0.000 1.413 633 G CA -0.789 44.294 45.100 -0.028 0.000 0.993 633 G HN -0.070 nan 8.290 nan 0.000 0.642 634 M N 0.165 119.760 119.600 -0.008 0.000 2.165 634 M HA 0.706 5.185 4.480 -0.001 0.000 0.283 634 M C -0.938 175.364 176.300 0.004 0.000 0.978 634 M CA -0.744 54.557 55.300 0.001 0.000 0.948 634 M CB 1.715 34.320 32.600 0.009 0.000 1.599 634 M HN 0.704 nan 8.290 nan 0.000 0.450 635 E N 5.775 125.979 120.200 0.006 0.000 2.145 635 E HA 0.530 4.880 4.350 -0.001 0.000 0.262 635 E C -2.527 174.082 176.600 0.014 0.000 0.883 635 E CA -1.721 54.684 56.400 0.008 0.000 0.748 635 E CB 2.070 31.773 29.700 0.005 0.000 1.140 635 E HN 0.440 nan 8.360 nan 0.000 0.417 636 P HA -0.044 nan 4.420 nan 0.000 0.266 636 P C -0.918 176.394 177.300 0.020 0.000 1.193 636 P CA 0.090 63.200 63.100 0.018 0.000 0.770 636 P CB 0.652 32.360 31.700 0.012 0.000 0.836 637 R N 1.502 122.017 120.500 0.025 0.000 2.502 637 R HA 0.474 4.814 4.340 -0.001 0.000 0.298 637 R C 0.557 176.873 176.300 0.027 0.000 1.018 637 R CA 0.199 56.314 56.100 0.026 0.000 0.899 637 R CB 0.921 31.241 30.300 0.033 0.000 1.181 637 R HN 0.834 nan 8.270 nan 0.000 0.444 638 G N 3.852 112.665 108.800 0.022 0.000 2.582 638 G HA2 -0.424 3.535 3.960 -0.001 0.000 0.288 638 G HA3 -0.424 3.535 3.960 -0.001 0.000 0.288 638 G C 0.231 175.143 174.900 0.019 0.000 1.247 638 G CA 0.468 45.581 45.100 0.022 0.000 0.972 638 G HN 0.802 nan 8.290 nan 0.000 0.557 639 N N 1.787 120.499 118.700 0.020 0.000 2.313 639 N HA 0.508 5.248 4.740 -0.001 0.000 0.207 639 N C 0.422 175.943 175.510 0.017 0.000 1.141 639 N CA 1.228 54.286 53.050 0.013 0.000 0.830 639 N CB 0.111 38.602 38.487 0.007 0.000 1.008 639 N HN 1.374 nan 8.380 nan 0.000 0.481 640 A N -0.161 122.675 122.820 0.028 0.000 2.346 640 A HA 0.639 4.959 4.320 -0.001 0.000 0.313 640 A C -0.852 176.754 177.584 0.037 0.000 1.140 640 A CA -0.591 51.469 52.037 0.039 0.000 0.826 640 A CB 1.368 20.402 19.000 0.057 0.000 1.332 640 A HN 0.183 nan 8.150 nan 0.000 0.457 641 Q N 0.199 120.026 119.800 0.046 0.000 2.325 641 Q HA 0.537 4.877 4.340 -0.001 0.000 0.262 641 Q C -1.331 174.701 176.000 0.053 0.000 0.968 641 Q CA -0.122 55.707 55.803 0.042 0.000 0.877 641 Q CB 1.553 30.314 28.738 0.038 0.000 1.253 641 Q HN 0.441 nan 8.270 nan 0.000 0.448 642 V N 6.238 126.179 119.914 0.045 0.000 2.334 642 V HA 0.369 4.489 4.120 -0.001 0.000 0.267 642 V C -0.029 176.089 176.094 0.040 0.000 1.040 642 V CA -0.420 61.910 62.300 0.051 0.000 0.866 642 V CB 0.596 32.447 31.823 0.047 0.000 1.019 642 V HN 0.709 nan 8.190 nan 0.000 0.468 643 I N 5.846 126.444 120.570 0.046 0.000 2.342 643 I HA 0.452 4.621 4.170 -0.001 0.000 0.291 643 I C 0.514 176.638 176.117 0.010 0.000 1.010 643 I CA -0.371 60.944 61.300 0.027 0.000 1.308 643 I CB 0.904 38.925 38.000 0.035 0.000 1.400 643 I HN 0.454 nan 8.210 nan 0.000 0.488 644 R N 4.879 125.365 120.500 -0.022 0.000 2.407 644 R HA 0.855 5.194 4.340 -0.001 0.000 0.303 644 R C -0.693 175.536 176.300 -0.118 0.000 0.981 644 R CA -0.497 55.564 56.100 -0.066 0.000 0.905 644 R CB 1.957 32.207 30.300 -0.082 0.000 1.099 644 R HN 0.808 nan 8.270 nan 0.000 0.459 645 A N 2.301 125.020 122.820 -0.168 0.000 2.586 645 A HA 0.612 4.932 4.320 -0.001 0.000 0.290 645 A C -1.865 175.586 177.584 -0.222 0.000 1.086 645 A CA -0.711 51.213 52.037 -0.190 0.000 0.665 645 A CB 1.041 19.993 19.000 -0.081 0.000 1.279 645 A HN 0.464 nan 8.150 nan 0.000 0.423 646 F N 0.453 120.390 119.950 -0.022 0.000 2.427 646 F HA 0.624 5.151 4.527 -0.001 0.000 0.346 646 F C 0.241 175.996 175.800 -0.074 0.000 1.120 646 F CA -0.718 57.265 58.000 -0.029 0.000 1.033 646 F CB 1.994 41.007 39.000 0.021 0.000 1.126 646 F HN 0.592 nan 8.300 nan 0.000 0.462 647 V N 5.980 125.957 119.914 0.105 0.000 2.808 647 V HA 0.673 4.792 4.120 -0.001 0.000 0.308 647 V C -2.725 173.320 176.094 -0.080 0.000 1.099 647 V CA -2.569 59.712 62.300 -0.031 0.000 0.920 647 V CB 2.686 34.439 31.823 -0.116 0.000 1.014 647 V HN 0.483 nan 8.190 nan 0.000 0.425 648 P HA 0.120 nan 4.420 nan 0.000 0.276 648 P C 0.797 178.012 177.300 -0.141 0.000 1.243 648 P CA -0.056 62.960 63.100 -0.141 0.000 0.768 648 P CB 1.604 33.222 31.700 -0.137 0.000 0.856 649 L N 5.264 126.397 121.223 -0.150 0.000 2.051 649 L HA -0.263 4.077 4.340 -0.001 0.000 0.214 649 L C 2.383 179.079 176.870 -0.290 0.000 1.076 649 L CA 2.630 57.352 54.840 -0.196 0.000 0.758 649 L CB -1.410 40.546 42.059 -0.171 0.000 0.890 649 L HN 0.466 nan 8.230 nan 0.000 0.433 650 A N -1.356 121.354 122.820 -0.184 0.000 2.186 650 A HA -0.162 4.158 4.320 -0.001 0.000 0.219 650 A C 1.863 179.442 177.584 -0.008 0.000 1.159 650 A CA 1.715 53.709 52.037 -0.072 0.000 0.680 650 A CB -0.480 18.528 19.000 0.014 0.000 0.787 650 A HN 0.606 nan 8.150 nan 0.000 0.467 651 E N -1.173 118.986 120.200 -0.068 0.000 2.476 651 E HA 0.144 4.494 4.350 -0.001 0.000 0.196 651 E C 0.550 180.050 176.600 4.833 0.000 1.029 651 E CA 0.036 56.235 56.400 -0.334 0.000 0.896 651 E CB 0.309 29.565 29.700 -0.740 0.000 1.012 651 E HN 0.505 nan 8.360 nan 0.000 0.475 652 M N -0.073 119.953 119.600 0.710 0.000 2.404 652 M HA 0.199 4.679 4.480 -0.001 0.000 0.271 652 M C -0.158 175.921 176.300 -0.369 0.000 1.128 652 M CA -0.264 54.915 55.300 -0.203 0.000 0.982 652 M CB -0.437 32.023 32.600 -0.234 0.000 1.445 652 M HN -0.124 nan 8.290 nan 0.000 0.495 653 F N 1.701 121.634 119.950 -0.029 0.000 2.502 653 F HA 0.425 4.951 4.527 -0.000 0.000 0.371 653 F C 1.647 177.364 175.800 -0.140 0.000 1.083 653 F CA 0.438 58.436 58.000 -0.004 0.000 1.174 653 F CB -0.225 38.848 39.000 0.123 0.000 1.096 653 F HN 0.573 nan 8.300 nan 0.000 0.545 654 G N 2.889 111.760 108.800 0.118 0.000 2.198 654 G HA2 -0.391 3.569 3.960 -0.001 0.000 0.257 654 G HA3 -0.391 3.569 3.960 -0.001 0.000 0.257 654 G C 0.658 175.501 174.900 -0.096 0.000 1.042 654 G CA 0.351 45.464 45.100 0.022 0.000 0.791 654 G HN 0.716 nan 8.290 nan 0.000 0.502 655 Y N 0.485 120.612 120.300 -0.288 0.000 2.220 655 Y HA 0.218 4.768 4.550 -0.001 0.000 0.291 655 Y C 2.760 178.538 175.900 -0.204 0.000 1.129 655 Y CA 2.012 59.870 58.100 -0.403 0.000 1.161 655 Y CB -0.602 37.517 38.460 -0.569 0.000 0.997 655 Y HN 0.507 nan 8.280 nan 0.000 0.522 656 A N -0.282 122.516 122.820 -0.037 0.000 1.927 656 A HA -0.331 3.988 4.320 -0.001 0.000 0.220 656 A C 2.359 179.868 177.584 -0.125 0.000 1.185 656 A CA 3.158 55.220 52.037 0.042 0.000 0.639 656 A CB -1.638 17.460 19.000 0.164 0.000 0.820 656 A HN 0.633 nan 8.150 nan 0.000 0.451 657 T N -2.461 112.022 114.554 -0.117 0.000 2.732 657 T HA -0.139 4.210 4.350 -0.001 0.000 0.261 657 T C 1.479 176.075 174.700 -0.173 0.000 1.040 657 T CA 1.627 63.660 62.100 -0.111 0.000 1.145 657 T CB -0.599 68.231 68.868 -0.064 0.000 0.866 657 T HN 0.329 nan 8.240 nan 0.000 0.427 658 D N 1.087 121.353 120.400 -0.223 0.000 2.182 658 D HA -0.012 4.627 4.640 -0.001 0.000 0.201 658 D C 2.063 178.168 176.300 -0.325 0.000 0.986 658 D CA 0.539 54.406 54.000 -0.223 0.000 0.847 658 D CB -0.501 40.194 40.800 -0.174 0.000 0.942 658 D HN 0.336 nan 8.370 nan 0.000 0.467 659 L N 0.849 121.732 121.223 -0.567 0.000 1.943 659 L HA -0.207 4.132 4.340 -0.001 0.000 0.215 659 L C 2.566 179.260 176.870 -0.293 0.000 1.074 659 L CA 1.644 56.157 54.840 -0.544 0.000 0.759 659 L CB -0.266 41.386 42.059 -0.679 0.000 0.888 659 L HN 0.024 nan 8.230 nan 0.000 0.433 660 R N -0.725 119.642 120.500 -0.221 0.000 2.211 660 R HA -0.199 4.140 4.340 -0.001 0.000 0.240 660 R C 2.078 178.287 176.300 -0.153 0.000 1.144 660 R CA 1.798 57.807 56.100 -0.151 0.000 0.992 660 R CB -0.503 29.744 30.300 -0.089 0.000 0.869 660 R HN 0.307 nan 8.270 nan 0.000 0.462 661 S N -0.232 115.375 115.700 -0.154 0.000 2.453 661 S HA 0.015 4.485 4.470 -0.001 0.000 0.231 661 S C 1.202 175.723 174.600 -0.131 0.000 1.005 661 S CA 0.842 58.972 58.200 -0.115 0.000 0.949 661 S CB 0.138 63.282 63.200 -0.094 0.000 0.774 661 S HN 0.537 nan 8.310 nan 0.000 0.510 662 K N -0.148 120.144 120.400 -0.181 0.000 2.425 662 K HA 0.119 4.438 4.320 -0.001 0.000 0.201 662 K C 0.940 177.305 176.600 -0.392 0.000 1.128 662 K CA 0.740 56.917 56.287 -0.184 0.000 1.000 662 K CB 0.614 33.053 32.500 -0.102 0.000 0.961 662 K HN 0.411 nan 8.250 nan 0.000 0.555 663 T N -1.326 112.921 114.554 -0.511 0.000 3.214 663 T HA 0.060 4.409 4.350 -0.001 0.000 0.264 663 T C 0.270 174.402 174.700 -0.947 0.000 1.012 663 T CA -0.345 61.157 62.100 -0.996 0.000 0.901 663 T CB 0.208 68.826 68.868 -0.418 0.000 1.070 663 T HN -0.009 nan 8.240 nan 0.000 0.561 664 Q N 1.046 120.489 119.800 -0.594 0.000 2.423 664 Q HA -0.181 4.159 4.340 -0.001 0.000 0.332 664 Q C 1.310 177.233 176.000 -0.128 0.000 1.355 664 Q CA 1.128 56.778 55.803 -0.254 0.000 0.947 664 Q CB -2.010 26.655 28.738 -0.121 0.000 1.189 664 Q HN 1.231 nan 8.270 nan 0.000 0.418 665 G N -0.516 108.215 108.800 -0.116 0.000 2.205 665 G HA2 -0.423 3.537 3.960 -0.001 0.000 0.269 665 G HA3 -0.423 3.537 3.960 -0.001 0.000 0.269 665 G C 0.825 175.730 174.900 0.007 0.000 0.977 665 G CA 0.772 45.856 45.100 -0.026 0.000 0.652 665 G HN 0.568 nan 8.290 nan 0.000 0.539 666 R N 0.406 120.893 120.500 -0.022 0.000 2.189 666 R HA 0.269 4.608 4.340 -0.001 0.000 0.203 666 R C 1.941 178.271 176.300 0.051 0.000 1.012 666 R CA 0.429 56.561 56.100 0.054 0.000 1.015 666 R CB 0.076 30.456 30.300 0.133 0.000 0.938 666 R HN 0.385 nan 8.270 nan 0.000 0.472 667 G N 0.584 109.382 108.800 -0.004 0.000 2.634 667 G HA2 0.295 4.255 3.960 -0.001 0.000 0.255 667 G HA3 0.295 4.255 3.960 -0.001 0.000 0.255 667 G C -0.213 174.721 174.900 0.056 0.000 1.205 667 G CA -0.018 45.100 45.100 0.030 0.000 0.884 667 G HN 0.282 nan 8.290 nan 0.000 0.549 668 S N -1.377 114.391 115.700 0.113 0.000 2.703 668 S HA 0.804 5.273 4.470 -0.001 0.000 0.273 668 S C -1.066 173.715 174.600 0.303 0.000 1.178 668 S CA -0.566 57.730 58.200 0.160 0.000 0.838 668 S CB 1.689 64.928 63.200 0.065 0.000 1.178 668 S HN 2.105 nan 8.310 nan 0.000 0.494 669 F N -1.200 118.759 119.950 0.015 0.000 2.769 669 F HA 0.737 5.264 4.527 -0.001 0.000 0.313 669 F C -1.458 174.323 175.800 -0.031 0.000 1.146 669 F CA -0.808 57.204 58.000 0.020 0.000 0.934 669 F CB 0.446 39.502 39.000 0.093 0.000 1.283 669 F HN 0.930 nan 8.300 nan 0.000 0.443 670 V N 0.986 120.775 119.914 -0.208 0.000 3.103 670 V HA 0.901 5.020 4.120 -0.001 0.000 0.318 670 V C -0.803 175.051 176.094 -0.401 0.000 1.114 670 V CA -0.899 61.134 62.300 -0.445 0.000 1.020 670 V CB 1.946 33.593 31.823 -0.293 0.000 1.085 670 V HN 1.348 nan 8.190 nan 0.000 0.446 671 M N 2.448 121.562 119.600 -0.810 0.000 2.325 671 M HA 0.710 5.190 4.480 -0.001 0.000 0.285 671 M C -2.620 173.171 176.300 -0.848 0.000 1.119 671 M CA -0.150 54.803 55.300 -0.578 0.000 0.959 671 M CB 2.017 34.588 32.600 -0.049 0.000 1.737 671 M HN 0.743 nan 8.290 nan 0.000 0.486 672 F N 3.153 123.152 119.950 0.082 0.000 2.599 672 F HA 0.564 5.091 4.527 -0.001 0.000 0.311 672 F C -0.692 175.172 175.800 0.107 0.000 1.076 672 F CA -0.912 57.143 58.000 0.091 0.000 0.937 672 F CB 1.301 40.345 39.000 0.074 0.000 1.282 672 F HN 0.490 nan 8.300 nan 0.000 0.460 673 F N 2.453 122.513 119.950 0.185 0.000 2.529 673 F HA 0.170 4.697 4.527 -0.001 0.000 0.365 673 F C 0.850 176.718 175.800 0.114 0.000 1.102 673 F CA 0.365 58.399 58.000 0.056 0.000 1.271 673 F CB 0.487 39.484 39.000 -0.005 0.000 1.120 673 F HN 0.611 nan 8.300 nan 0.000 0.579 674 D N 2.396 122.277 120.400 -0.866 0.000 3.194 674 D HA 0.016 4.655 4.640 -0.001 0.000 0.290 674 D C -0.298 175.506 176.300 -0.828 0.000 1.280 674 D CA 0.724 54.431 54.000 -0.488 0.000 1.058 674 D CB 0.390 41.267 40.800 0.127 0.000 1.241 674 D HN 0.707 nan 8.370 nan 0.000 0.421 675 H N -2.343 116.013 119.070 -1.190 0.000 2.981 675 H HA 0.278 4.833 4.556 -0.001 0.000 0.327 675 H C -1.641 173.476 175.328 -0.352 0.000 1.342 675 H CA -0.706 54.937 56.048 -0.675 0.000 1.123 675 H CB 0.050 29.611 29.762 -0.336 0.000 1.851 675 H HN -0.094 nan 8.280 nan 0.000 0.531 676 Y N 0.431 120.814 120.300 0.139 0.000 2.320 676 Y HA 0.388 4.938 4.550 -0.001 0.000 0.324 676 Y C 0.368 176.289 175.900 0.034 0.000 1.190 676 Y CA 0.144 58.322 58.100 0.131 0.000 1.215 676 Y CB 1.829 40.410 38.460 0.201 0.000 1.221 676 Y HN 0.650 nan 8.280 nan 0.000 0.486 677 Q N 1.256 121.150 119.800 0.157 0.000 2.421 677 Q HA 0.340 4.680 4.340 -0.001 0.000 0.280 677 Q C -1.669 174.376 176.000 0.075 0.000 1.085 677 Q CA -0.805 55.049 55.803 0.086 0.000 0.807 677 Q CB 1.575 30.294 28.738 -0.030 0.000 1.405 677 Q HN 0.624 nan 8.270 nan 0.000 0.419 678 E N 1.172 121.402 120.200 0.051 0.000 2.290 678 E HA 0.278 4.627 4.350 -0.001 0.000 0.277 678 E C -0.220 176.384 176.600 0.005 0.000 1.035 678 E CA -0.509 55.909 56.400 0.031 0.000 0.873 678 E CB 0.871 30.587 29.700 0.027 0.000 1.029 678 E HN 0.514 nan 8.360 nan 0.000 0.419 679 V N 1.297 121.206 119.914 -0.007 0.000 2.740 679 V HA 0.171 4.291 4.120 -0.001 0.000 0.303 679 V C -2.247 173.836 176.094 -0.018 0.000 1.054 679 V CA -1.856 60.429 62.300 -0.026 0.000 1.106 679 V CB 0.005 31.802 31.823 -0.044 0.000 0.957 679 V HN 0.488 nan 8.190 nan 0.000 0.486 680 P HA 0.054 nan 4.420 nan 0.000 0.267 680 P C 0.817 178.110 177.300 -0.011 0.000 1.201 680 P CA 0.011 63.101 63.100 -0.017 0.000 0.775 680 P CB 0.441 32.127 31.700 -0.023 0.000 0.854 681 K N 2.167 122.564 120.400 -0.006 0.000 2.052 681 K HA -0.361 3.959 4.320 -0.001 0.000 0.215 681 K C 1.859 178.457 176.600 -0.003 0.000 1.053 681 K CA 2.058 58.343 56.287 -0.002 0.000 0.934 681 K CB -0.288 32.212 32.500 -0.000 0.000 0.717 681 K HN 0.277 nan 8.250 nan 0.000 0.450 682 Q N 0.546 120.342 119.800 -0.007 0.000 2.030 682 Q HA -0.127 4.212 4.340 -0.001 0.000 0.204 682 Q C 2.005 178.000 176.000 -0.009 0.000 0.986 682 Q CA 2.061 57.860 55.803 -0.007 0.000 0.843 682 Q CB -0.357 28.375 28.738 -0.011 0.000 0.904 682 Q HN 0.274 nan 8.270 nan 0.000 0.420 683 V N 0.592 120.496 119.914 -0.016 0.000 2.324 683 V HA -0.334 3.786 4.120 -0.001 0.000 0.250 683 V C 2.408 178.494 176.094 -0.014 0.000 1.060 683 V CA 2.307 64.595 62.300 -0.021 0.000 1.042 683 V CB -0.720 31.082 31.823 -0.035 0.000 0.650 683 V HN 0.504 nan 8.190 nan 0.000 0.450 684 Q N 0.111 119.905 119.800 -0.010 0.000 2.002 684 Q HA -0.272 4.067 4.340 -0.001 0.000 0.204 684 Q C 2.228 178.234 176.000 0.010 0.000 0.988 684 Q CA 2.311 58.113 55.803 -0.001 0.000 0.843 684 Q CB -0.199 28.541 28.738 0.004 0.000 0.908 684 Q HN 0.741 nan 8.270 nan 0.000 0.420 685 E N 0.028 120.234 120.200 0.009 0.000 2.219 685 E HA -0.236 4.113 4.350 -0.001 0.000 0.198 685 E C 1.848 178.457 176.600 0.015 0.000 0.998 685 E CA 1.356 57.764 56.400 0.013 0.000 0.818 685 E CB 0.016 29.721 29.700 0.009 0.000 0.741 685 E HN 0.337 nan 8.360 nan 0.000 0.477 686 K N 0.472 120.880 120.400 0.013 0.000 2.029 686 K HA 0.014 4.333 4.320 -0.001 0.000 0.205 686 K C 2.199 178.815 176.600 0.027 0.000 1.042 686 K CA 0.648 56.945 56.287 0.016 0.000 0.949 686 K CB -0.140 32.367 32.500 0.010 0.000 0.740 686 K HN 0.023 nan 8.250 nan 0.000 0.442 687 L N 1.680 122.919 121.223 0.027 0.000 2.081 687 L HA -0.160 4.180 4.340 -0.001 0.000 0.212 687 L C 1.529 178.446 176.870 0.077 0.000 1.080 687 L CA 0.787 55.656 54.840 0.048 0.000 0.754 687 L CB -0.767 41.302 42.059 0.018 0.000 0.893 687 L HN 0.157 nan 8.230 nan 0.000 0.433 688 I N 0.000 120.607 120.570 0.061 0.000 2.984 688 I HA 0.000 4.170 4.170 -0.001 0.000 0.288 688 I CA 0.000 61.338 61.300 0.064 0.000 1.566 688 I CB 0.000 38.028 38.000 0.046 0.000 1.214 688 I HN 0.000 nan 8.210 nan 0.000 0.494