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 2qvw_1_B DATA FIRST_RESID 0 DATA SEQUENCE AMHALGHCCT VVTTRGPSHW LLLLDTHLGT LPGFKVSAGR GLPAAEVYFE DATA SEQUENCE AGPRVSLSRT DATIVAVYQS ILFQLLGPTF PASWTEIGAT MPHNEYTFPR DATA SEQUENCE FISNPPQFAT LAFLPLLSPT SPLDLRALMV TAQLMCDAKR LSDEXXXXXX DATA SEQUENCE LSASLHGRMV ATPEISWSLY VVLGIDSTQT SLSYFTRANE SITYMRYYAT DATA SEQUENCE AHNIHLRAAD LPLVAAVRLD DLKDHQIPAP GSXDDLAPKL RFLPPELCLL DATA SEQUENCE LPDEFDLIRV QALQFLPEIA KHICDIQNTI CALDKSFPDC GRIGGERYFA DATA SEQUENCE ITAGLRLDQG RGRGLAGWRT PFGPFGVSHT DVFQRLELLG DAVLGFIVTA DATA SEQUENCE RLLCLFPDAS VGTLVELKME LVRNEALNYL VQTLGLPQLA EXXNNLVAKS DATA SEQUENCE KTWADMYEEI VGSIFTGPNG IYGCEEFLAK TLMSPEHSKT XXXACPDAVT DATA SEQUENCE KASKRVCMGE AGAHEFRSLV DYACEQGISV FCSSRVSTMF LERLRDIPAE DATA SEQUENCE DMLDWYRLGI QFSHRSGLSG XXXXVSVIDI MTHLARGLWL GSPGFYVEXX DATA SEQUENCE XXXXXXXXPP TIPVLYIYHR SVQCPVLYGS LTXXXTGPVA SKVLALYEKI DATA SEQUENCE LAYESSGGSK HIAAQTVSRS LAVPIPSGTI PFLIRLLQIA LTPHVYQKLE DATA SEQUENCE LLGDAFLKCS LALHLHALHP TLTEGALTRM RQSAETNSVL GRLTKRFPSV DATA SEQUENCE VSEVIIESHP KIQPDSKVYG DTFEAILAAI LLACGEEAAG AFVREHVLPQ DATA SEQUENCE VVADA 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 0 A HA 0.000 nan 4.320 nan 0.000 0.244 0 A C 0.000 177.614 177.584 0.051 0.000 1.274 0 A CA 0.000 52.065 52.037 0.047 0.000 0.836 0 A CB 0.000 19.037 19.000 0.062 0.000 0.831 1 M N 1.290 120.917 119.600 0.045 0.000 2.067 1 M HA -0.081 4.397 4.480 -0.003 0.000 0.260 1 M C 0.830 177.156 176.300 0.043 0.000 1.069 1 M CA 1.491 56.805 55.300 0.024 0.000 1.117 1 M CB -0.323 32.272 32.600 -0.007 0.000 1.334 1 M HN 0.837 nan 8.290 nan 0.000 0.407 2 H N 1.723 120.783 119.070 -0.017 0.000 3.214 2 H HA 0.039 4.592 4.556 -0.004 0.000 0.198 2 H C -1.132 174.161 175.328 -0.059 0.000 0.692 2 H CA 1.078 57.101 56.048 -0.041 0.000 1.381 2 H CB -0.753 28.982 29.762 -0.045 0.000 1.483 2 H HN 0.436 nan 8.280 nan 0.000 0.479 3 A N 6.134 128.996 122.820 0.069 0.000 2.604 3 A HA 0.342 4.660 4.320 -0.003 0.000 0.285 3 A C -1.116 176.454 177.584 -0.024 0.000 1.095 3 A CA -0.756 51.294 52.037 0.020 0.000 0.842 3 A CB 0.468 19.474 19.000 0.010 0.000 1.385 3 A HN 0.315 nan 8.150 nan 0.000 0.404 4 L N 2.050 123.242 121.223 -0.052 0.000 2.290 4 L HA 0.592 4.930 4.340 -0.003 0.000 0.284 4 L C 1.110 177.855 176.870 -0.208 0.000 1.078 4 L CA 0.430 55.194 54.840 -0.127 0.000 0.815 4 L CB 1.292 43.271 42.059 -0.132 0.000 1.162 4 L HN 0.729 nan 8.230 nan 0.000 0.435 5 G N 1.979 110.636 108.800 -0.238 0.000 2.400 5 G HA2 0.503 4.461 3.960 -0.003 0.000 0.301 5 G HA3 0.503 4.461 3.960 -0.003 0.000 0.301 5 G C -0.777 173.904 174.900 -0.366 0.000 1.154 5 G CA -0.214 44.771 45.100 -0.192 0.000 0.852 5 G HN 0.566 nan 8.290 nan 0.000 0.511 6 H N -0.014 119.103 119.070 0.079 0.000 2.877 6 H HA 0.217 4.770 4.556 -0.004 0.000 0.347 6 H C -1.043 174.395 175.328 0.183 0.000 1.042 6 H CA -0.554 55.571 56.048 0.128 0.000 1.276 6 H CB 1.732 31.568 29.762 0.124 0.000 1.681 6 H HN 0.450 nan 8.280 nan 0.000 0.521 7 C N 4.072 123.552 119.300 0.299 0.000 2.158 7 C HA 0.245 4.703 4.460 -0.003 0.000 0.350 7 C C 1.216 176.382 174.990 0.293 0.000 1.064 7 C CA -0.518 58.647 59.018 0.244 0.000 1.507 7 C CB -1.629 26.196 27.740 0.142 0.000 1.934 7 C HN 0.662 nan 8.230 nan 0.000 0.479 8 C N 2.613 122.120 119.300 0.345 0.000 2.649 8 C HA 0.587 5.045 4.460 -0.003 0.000 0.377 8 C C 0.853 175.986 174.990 0.239 0.000 1.321 8 C CA 0.135 59.310 59.018 0.262 0.000 2.368 8 C CB 0.196 28.095 27.740 0.266 0.000 2.597 8 C HN 0.831 nan 8.230 nan 0.000 0.678 9 T N 1.292 115.898 114.554 0.085 0.000 3.348 9 T HA 0.239 4.587 4.350 -0.003 0.000 0.328 9 T C -0.819 173.834 174.700 -0.079 0.000 0.913 9 T CA -0.292 61.845 62.100 0.062 0.000 1.043 9 T CB 0.779 69.757 68.868 0.184 0.000 1.021 9 T HN 0.392 nan 8.240 nan 0.000 0.461 10 V N 4.084 123.909 119.914 -0.148 0.000 2.385 10 V HA 0.453 4.571 4.120 -0.003 0.000 0.269 10 V C 0.219 176.148 176.094 -0.276 0.000 1.043 10 V CA -0.468 61.644 62.300 -0.313 0.000 0.906 10 V CB 1.195 32.804 31.823 -0.357 0.000 0.995 10 V HN 0.669 nan 8.190 nan 0.000 0.467 11 V N 5.034 124.793 119.914 -0.257 0.000 2.581 11 V HA 0.821 4.939 4.120 -0.003 0.000 0.303 11 V C 0.309 176.272 176.094 -0.219 0.000 1.041 11 V CA -0.237 61.963 62.300 -0.168 0.000 0.907 11 V CB 2.122 33.949 31.823 0.007 0.000 0.994 11 V HN 1.028 nan 8.190 nan 0.000 0.442 12 T N -0.973 113.483 114.554 -0.164 0.000 2.754 12 T HA 0.264 4.612 4.350 -0.003 0.000 0.296 12 T C 0.921 175.570 174.700 -0.085 0.000 1.205 12 T CA 0.123 62.139 62.100 -0.139 0.000 1.009 12 T CB 1.347 70.130 68.868 -0.142 0.000 1.368 12 T HN 0.389 nan 8.240 nan 0.000 0.509 13 T N 1.191 115.707 114.554 -0.064 0.000 2.649 13 T HA -0.197 4.151 4.350 -0.003 0.000 0.268 13 T C 2.074 176.750 174.700 -0.040 0.000 1.036 13 T CA 2.360 64.434 62.100 -0.044 0.000 1.157 13 T CB -0.487 68.360 68.868 -0.035 0.000 0.861 13 T HN 0.711 nan 8.240 nan 0.000 0.445 14 R N 0.845 121.320 120.500 -0.042 0.000 2.066 14 R HA 0.308 4.646 4.340 -0.003 0.000 0.232 14 R C 1.429 177.702 176.300 -0.046 0.000 1.131 14 R CA 1.097 57.175 56.100 -0.036 0.000 0.955 14 R CB -0.269 30.013 30.300 -0.030 0.000 0.851 14 R HN 0.463 nan 8.270 nan 0.000 0.432 15 G N 0.016 108.776 108.800 -0.067 0.000 2.317 15 G HA2 0.217 4.175 3.960 -0.003 0.000 0.293 15 G HA3 0.217 4.175 3.960 -0.003 0.000 0.293 15 G C -3.136 171.694 174.900 -0.117 0.000 1.287 15 G CA -1.057 43.997 45.100 -0.077 0.000 0.850 15 G HN -0.012 nan 8.290 nan 0.000 0.515 16 P HA 0.489 nan 4.420 nan 0.000 0.290 16 P C -0.862 176.190 177.300 -0.413 0.000 1.276 16 P CA -0.249 62.692 63.100 -0.266 0.000 0.808 16 P CB 1.987 33.551 31.700 -0.226 0.000 0.966 17 S N 2.668 118.098 115.700 -0.449 0.000 2.659 17 S HA 0.352 4.820 4.470 -0.003 0.000 0.312 17 S C -0.538 173.803 174.600 -0.431 0.000 1.114 17 S CA -0.604 57.370 58.200 -0.378 0.000 1.063 17 S CB -0.029 63.148 63.200 -0.038 0.000 0.996 17 S HN 0.350 nan 8.310 nan 0.000 0.478 18 H N 3.153 122.081 119.070 -0.237 0.000 2.467 18 H HA 0.476 5.030 4.556 -0.004 0.000 0.331 18 H C -1.001 174.077 175.328 -0.417 0.000 1.120 18 H CA -0.286 55.663 56.048 -0.165 0.000 1.270 18 H CB 0.858 30.539 29.762 -0.135 0.000 1.466 18 H HN 0.594 nan 8.280 nan 0.000 0.504 19 W N 1.361 122.721 121.300 0.101 0.000 3.107 19 W HA 0.311 4.968 4.660 -0.004 0.000 0.331 19 W C -0.939 175.660 176.519 0.133 0.000 1.204 19 W CA -0.793 56.606 57.345 0.092 0.000 1.184 19 W CB 1.217 30.719 29.460 0.071 0.000 1.421 19 W HN 0.299 nan 8.180 nan 0.000 0.544 20 L N 4.142 125.580 121.223 0.359 0.000 2.277 20 L HA 0.577 4.915 4.340 -0.003 0.000 0.284 20 L C -1.031 175.998 176.870 0.266 0.000 1.028 20 L CA -0.793 54.194 54.840 0.245 0.000 0.835 20 L CB 0.069 42.201 42.059 0.122 0.000 1.215 20 L HN 0.375 nan 8.230 nan 0.000 0.425 21 L N 6.368 127.764 121.223 0.289 0.000 2.281 21 L HA 0.475 4.813 4.340 -0.003 0.000 0.285 21 L C -1.077 175.839 176.870 0.076 0.000 1.074 21 L CA 0.051 54.999 54.840 0.180 0.000 0.817 21 L CB 0.714 42.942 42.059 0.282 0.000 1.168 21 L HN 0.573 nan 8.230 nan 0.000 0.434 22 L N 6.908 128.099 121.223 -0.054 0.000 2.280 22 L HA 0.470 4.808 4.340 -0.003 0.000 0.287 22 L C -0.564 176.263 176.870 -0.072 0.000 1.023 22 L CA -0.356 54.459 54.840 -0.043 0.000 0.819 22 L CB 1.087 43.125 42.059 -0.036 0.000 1.212 22 L HN 0.533 nan 8.230 nan 0.000 0.420 23 L N 3.108 124.318 121.223 -0.022 0.000 2.334 23 L HA 0.325 4.663 4.340 -0.003 0.000 0.276 23 L C 0.608 177.443 176.870 -0.058 0.000 1.014 23 L CA -0.629 54.188 54.840 -0.038 0.000 0.815 23 L CB 2.184 44.254 42.059 0.019 0.000 1.268 23 L HN 0.627 nan 8.230 nan 0.000 0.428 24 D N -0.184 120.160 120.400 -0.093 0.000 2.319 24 D HA 0.015 4.653 4.640 -0.003 0.000 0.230 24 D C 0.003 176.121 176.300 -0.303 0.000 1.094 24 D CA 0.040 53.939 54.000 -0.169 0.000 0.856 24 D CB 0.274 40.973 40.800 -0.168 0.000 0.915 24 D HN 0.414 nan 8.370 nan 0.000 0.517 25 T N -0.761 113.669 114.554 -0.207 0.000 2.883 25 T HA 0.247 4.595 4.350 -0.003 0.000 0.296 25 T C -0.705 173.880 174.700 -0.192 0.000 1.117 25 T CA -0.764 61.202 62.100 -0.223 0.000 1.006 25 T CB 1.742 70.540 68.868 -0.117 0.000 1.191 25 T HN 0.058 nan 8.240 nan 0.000 0.508 26 H N 2.014 121.121 119.070 0.063 0.000 2.761 26 H HA 0.355 4.910 4.556 -0.001 0.000 0.284 26 H C -0.233 175.122 175.328 0.046 0.000 1.105 26 H CA -0.317 55.772 56.048 0.069 0.000 1.352 26 H CB 0.411 30.213 29.762 0.066 0.000 1.423 26 H HN 0.332 nan 8.280 nan 0.000 0.464 27 L N 2.817 124.132 121.223 0.155 0.000 3.186 27 L HA 0.221 4.559 4.340 -0.003 0.000 0.292 27 L C 1.450 178.378 176.870 0.097 0.000 1.303 27 L CA -0.401 54.487 54.840 0.080 0.000 0.940 27 L CB 0.546 42.598 42.059 -0.012 0.000 1.358 27 L HN 0.816 nan 8.230 nan 0.000 0.581 28 G N 1.589 110.471 108.800 0.135 0.000 2.629 28 G HA2 -0.382 3.576 3.960 -0.003 0.000 0.335 28 G HA3 -0.382 3.576 3.960 -0.003 0.000 0.335 28 G C 0.352 175.347 174.900 0.158 0.000 1.347 28 G CA 0.663 45.840 45.100 0.128 0.000 0.979 28 G HN 0.469 nan 8.290 nan 0.000 0.534 29 T N -0.921 113.708 114.554 0.125 0.000 2.922 29 T HA 0.655 5.003 4.350 -0.003 0.000 0.285 29 T C 0.211 174.943 174.700 0.053 0.000 1.005 29 T CA -0.712 61.465 62.100 0.128 0.000 1.061 29 T CB 1.470 70.410 68.868 0.120 0.000 1.007 29 T HN 0.731 nan 8.240 nan 0.000 0.502 30 L N 3.668 124.881 121.223 -0.017 0.000 2.287 30 L HA 0.433 4.771 4.340 -0.003 0.000 0.287 30 L C -2.054 174.918 176.870 0.169 0.000 1.022 30 L CA -2.511 52.259 54.840 -0.117 0.000 0.814 30 L CB 1.660 43.306 42.059 -0.689 0.000 1.217 30 L HN 0.536 nan 8.230 nan 0.000 0.420 31 P HA 0.048 nan 4.420 nan 0.000 0.271 31 P C 0.260 177.715 177.300 0.258 0.000 1.233 31 P CA 0.016 63.205 63.100 0.148 0.000 0.764 31 P CB 1.045 32.809 31.700 0.106 0.000 0.825 32 G N 3.466 112.189 108.800 -0.129 0.000 2.661 32 G HA2 0.409 4.367 3.960 -0.003 0.000 0.272 32 G HA3 0.409 4.367 3.960 -0.003 0.000 0.272 32 G C -0.546 173.862 174.900 -0.819 0.000 1.296 32 G CA -0.242 44.523 45.100 -0.560 0.000 0.998 32 G HN 0.626 nan 8.290 nan 0.000 0.553 33 F N -3.467 115.819 119.950 -1.106 0.000 2.746 33 F HA 0.612 5.137 4.527 -0.004 0.000 0.311 33 F C -0.855 174.924 175.800 -0.036 0.000 1.135 33 F CA -1.617 56.063 58.000 -0.533 0.000 0.954 33 F CB 0.763 39.538 39.000 -0.375 0.000 1.276 33 F HN 0.537 nan 8.300 nan 0.000 0.440 34 K N 1.509 122.068 120.400 0.265 0.000 2.168 34 K HA 0.858 5.176 4.320 -0.003 0.000 0.239 34 K C -1.195 175.501 176.600 0.159 0.000 0.999 34 K CA -1.264 55.054 56.287 0.052 0.000 0.900 34 K CB 2.553 35.102 32.500 0.083 0.000 1.111 34 K HN 0.775 nan 8.250 nan 0.000 0.452 35 V N -1.714 118.261 119.914 0.102 0.000 2.488 35 V HA 0.295 4.413 4.120 -0.003 0.000 0.293 35 V C 0.050 176.276 176.094 0.219 0.000 1.027 35 V CA -1.036 61.407 62.300 0.238 0.000 0.862 35 V CB 1.200 33.206 31.823 0.304 0.000 1.008 35 V HN 0.839 nan 8.190 nan 0.000 0.428 36 S N 4.381 120.239 115.700 0.263 0.000 2.525 36 S HA 0.259 4.727 4.470 -0.003 0.000 0.282 36 S C 1.110 175.859 174.600 0.247 0.000 1.324 36 S CA 0.317 58.669 58.200 0.253 0.000 1.025 36 S CB 0.361 63.753 63.200 0.320 0.000 0.820 36 S HN 2.395 nan 8.310 nan 0.000 0.514 37 A N 4.529 127.461 122.820 0.186 0.000 2.701 37 A HA 0.406 4.724 4.320 -0.003 0.000 0.290 37 A C 1.116 178.796 177.584 0.159 0.000 1.534 37 A CA 0.241 52.358 52.037 0.133 0.000 1.137 37 A CB -1.437 17.624 19.000 0.101 0.000 1.032 37 A HN 1.180 nan 8.150 nan 0.000 0.580 38 G N 1.893 110.723 108.800 0.051 0.000 2.690 38 G HA2 0.352 4.310 3.960 -0.003 0.000 0.239 38 G HA3 0.352 4.310 3.960 -0.003 0.000 0.239 38 G C 0.274 174.890 174.900 -0.473 0.000 1.233 38 G CA -0.849 44.069 45.100 -0.303 0.000 0.847 38 G HN 0.919 nan 8.290 nan 0.000 0.588 39 R N 0.576 120.436 120.500 -1.067 0.000 2.936 39 R HA 0.294 4.632 4.340 -0.003 0.000 0.361 39 R C 1.446 177.554 176.300 -0.320 0.000 0.873 39 R CA 0.208 55.961 56.100 -0.578 0.000 1.041 39 R CB -1.207 28.717 30.300 -0.626 0.000 0.924 39 R HN 1.483 nan 8.270 nan 0.000 0.401 40 G N 0.775 109.474 108.800 -0.169 0.000 2.498 40 G HA2 -0.358 3.600 3.960 -0.003 0.000 0.229 40 G HA3 -0.358 3.600 3.960 -0.003 0.000 0.229 40 G C 0.025 174.854 174.900 -0.119 0.000 1.156 40 G CA 0.199 45.226 45.100 -0.122 0.000 0.680 40 G HN 0.636 nan 8.290 nan 0.000 0.512 41 L N 0.955 122.072 121.223 -0.176 0.000 2.456 41 L HA 0.851 5.189 4.340 -0.003 0.000 0.257 41 L C -1.380 175.473 176.870 -0.029 0.000 1.162 41 L CA -2.206 52.559 54.840 -0.126 0.000 0.808 41 L CB -0.320 41.566 42.059 -0.289 0.000 1.136 41 L HN 0.172 nan 8.230 nan 0.000 0.466 42 P HA 0.267 nan 4.420 nan 0.000 0.279 42 P C -1.003 176.367 177.300 0.118 0.000 1.282 42 P CA -0.516 62.619 63.100 0.059 0.000 0.788 42 P CB 0.594 32.316 31.700 0.036 0.000 1.139 43 A N -0.287 122.570 122.820 0.061 0.000 2.371 43 A HA 0.601 4.919 4.320 -0.003 0.000 0.257 43 A C 0.104 177.684 177.584 -0.007 0.000 1.089 43 A CA 0.268 52.340 52.037 0.058 0.000 0.794 43 A CB -0.540 18.478 19.000 0.029 0.000 1.029 43 A HN 0.770 nan 8.150 nan 0.000 0.488 44 A N 1.636 124.426 122.820 -0.050 0.000 2.564 44 A HA 0.757 5.075 4.320 -0.003 0.000 0.291 44 A C -1.358 176.057 177.584 -0.281 0.000 1.102 44 A CA -0.687 51.208 52.037 -0.236 0.000 0.660 44 A CB 0.977 19.649 19.000 -0.547 0.000 1.283 44 A HN 0.740 nan 8.150 nan 0.000 0.430 45 E N -0.761 119.191 120.200 -0.414 0.000 2.314 45 E HA 0.604 4.952 4.350 -0.003 0.000 0.272 45 E C -1.452 174.644 176.600 -0.839 0.000 0.884 45 E CA -0.599 55.467 56.400 -0.556 0.000 0.753 45 E CB 2.349 31.769 29.700 -0.466 0.000 1.213 45 E HN 0.473 nan 8.360 nan 0.000 0.432 46 V N 2.904 122.115 119.914 -1.172 0.000 2.487 46 V HA 0.460 4.578 4.120 -0.003 0.000 0.298 46 V C -1.243 174.033 176.094 -1.363 0.000 1.028 46 V CA -0.822 60.733 62.300 -1.242 0.000 0.860 46 V CB 0.485 31.424 31.823 -1.474 0.000 0.991 46 V HN 0.585 nan 8.190 nan 0.000 0.427 47 Y N 4.075 123.961 120.300 -0.691 0.000 2.429 47 Y HA 0.773 5.321 4.550 -0.004 0.000 0.342 47 Y C -0.350 175.188 175.900 -0.603 0.000 1.004 47 Y CA -0.830 56.951 58.100 -0.532 0.000 1.075 47 Y CB 1.646 39.986 38.460 -0.200 0.000 1.214 47 Y HN 0.495 nan 8.280 nan 0.000 0.455 48 F N 0.615 120.624 119.950 0.099 0.000 2.594 48 F HA 0.657 5.182 4.527 -0.003 0.000 0.335 48 F C -0.623 175.243 175.800 0.111 0.000 1.058 48 F CA -1.420 56.634 58.000 0.090 0.000 0.981 48 F CB 2.029 41.045 39.000 0.026 0.000 1.289 48 F HN 0.484 nan 8.300 nan 0.000 0.490 49 E N 0.236 120.658 120.200 0.369 0.000 2.879 49 E HA 0.519 4.867 4.350 -0.003 0.000 0.345 49 E C -1.515 175.241 176.600 0.259 0.000 0.955 49 E CA -0.994 55.554 56.400 0.247 0.000 0.801 49 E CB 0.639 30.428 29.700 0.148 0.000 1.324 49 E HN 0.799 nan 8.360 nan 0.000 0.417 50 A N 2.596 125.563 122.820 0.245 0.000 2.632 50 A HA 0.405 4.723 4.320 -0.003 0.000 0.229 50 A C 0.663 178.271 177.584 0.041 0.000 1.047 50 A CA 1.256 53.373 52.037 0.133 0.000 0.754 50 A CB 0.151 19.205 19.000 0.089 0.000 0.969 50 A HN 0.869 nan 8.150 nan 0.000 0.509 51 G N 0.779 109.545 108.800 -0.057 0.000 3.243 51 G HA2 0.761 4.719 3.960 -0.003 0.000 0.248 51 G HA3 0.761 4.719 3.960 -0.003 0.000 0.248 51 G C -2.685 172.182 174.900 -0.054 0.000 1.267 51 G CA -0.434 44.643 45.100 -0.038 0.000 0.906 51 G HN 0.784 nan 8.290 nan 0.000 0.592 52 P HA 0.387 nan 4.420 nan 0.000 0.282 52 P C -0.886 176.386 177.300 -0.048 0.000 1.259 52 P CA -0.581 62.497 63.100 -0.037 0.000 0.826 52 P CB 1.570 33.255 31.700 -0.026 0.000 1.064 53 R N 0.926 121.404 120.500 -0.036 0.000 3.701 53 R HA 0.236 4.574 4.340 -0.003 0.000 0.210 53 R C 0.168 176.450 176.300 -0.030 0.000 1.598 53 R CA -0.553 55.527 56.100 -0.034 0.000 1.427 53 R CB -0.347 29.942 30.300 -0.019 0.000 1.339 53 R HN 0.273 nan 8.270 nan 0.000 0.720 54 V N 2.856 122.752 119.914 -0.030 0.000 2.493 54 V HA -0.038 4.080 4.120 -0.003 0.000 0.292 54 V C 0.492 176.579 176.094 -0.013 0.000 1.016 54 V CA 0.096 62.384 62.300 -0.020 0.000 1.097 54 V CB 0.554 32.367 31.823 -0.017 0.000 0.947 54 V HN 0.731 nan 8.190 nan 0.000 0.479 55 S N 7.651 123.344 115.700 -0.011 0.000 2.652 55 S HA 0.786 5.253 4.470 -0.003 0.000 0.270 55 S C -0.629 173.973 174.600 0.003 0.000 1.243 55 S CA -0.851 57.346 58.200 -0.005 0.000 0.999 55 S CB 1.538 64.733 63.200 -0.008 0.000 0.973 55 S HN 0.708 nan 8.310 nan 0.000 0.544 56 L N 1.588 122.817 121.223 0.011 0.000 2.464 56 L HA 0.434 4.772 4.340 -0.003 0.000 0.266 56 L C -0.170 176.711 176.870 0.018 0.000 0.965 56 L CA -0.714 54.135 54.840 0.015 0.000 0.833 56 L CB 2.544 44.616 42.059 0.021 0.000 1.296 56 L HN 0.944 nan 8.230 nan 0.000 0.405 57 S N 1.812 117.521 115.700 0.016 0.000 2.548 57 S HA 0.238 4.706 4.470 -0.003 0.000 0.277 57 S C 1.099 175.712 174.600 0.022 0.000 1.315 57 S CA -0.548 57.662 58.200 0.017 0.000 1.050 57 S CB 1.507 64.716 63.200 0.014 0.000 0.918 57 S HN 0.795 nan 8.310 nan 0.000 0.497 58 R N 2.261 122.775 120.500 0.022 0.000 2.208 58 R HA -0.211 4.127 4.340 -0.003 0.000 0.262 58 R C 1.601 177.917 176.300 0.028 0.000 1.166 58 R CA 2.509 58.624 56.100 0.025 0.000 0.987 58 R CB -1.289 29.025 30.300 0.023 0.000 0.887 58 R HN 0.848 nan 8.270 nan 0.000 0.459 59 T N 0.728 115.297 114.554 0.025 0.000 2.701 59 T HA -0.108 4.240 4.350 -0.003 0.000 0.263 59 T C 1.155 175.874 174.700 0.032 0.000 1.040 59 T CA 1.436 63.552 62.100 0.027 0.000 1.147 59 T CB -0.380 68.502 68.868 0.023 0.000 0.865 59 T HN 0.371 nan 8.240 nan 0.000 0.426 60 D N 1.605 122.022 120.400 0.029 0.000 2.228 60 D HA -0.072 4.566 4.640 -0.003 0.000 0.203 60 D C 2.243 178.567 176.300 0.040 0.000 0.988 60 D CA 1.134 55.152 54.000 0.031 0.000 0.864 60 D CB -0.341 40.472 40.800 0.023 0.000 0.928 60 D HN 0.429 nan 8.370 nan 0.000 0.469 61 A N 0.764 123.608 122.820 0.040 0.000 1.969 61 A HA -0.142 4.176 4.320 -0.003 0.000 0.218 61 A C 2.374 179.993 177.584 0.058 0.000 1.169 61 A CA 2.207 54.273 52.037 0.047 0.000 0.635 61 A CB -0.753 18.271 19.000 0.041 0.000 0.810 61 A HN 0.386 nan 8.150 nan 0.000 0.445 62 T N -2.047 112.539 114.554 0.053 0.000 2.985 62 T HA 0.080 4.428 4.350 -0.003 0.000 0.266 62 T C 1.701 176.443 174.700 0.070 0.000 1.076 62 T CA 1.100 63.235 62.100 0.057 0.000 1.135 62 T CB -0.491 68.405 68.868 0.046 0.000 0.890 62 T HN 0.367 nan 8.240 nan 0.000 0.480 63 I N 1.186 121.796 120.570 0.068 0.000 2.676 63 I HA -0.045 4.123 4.170 -0.003 0.000 0.259 63 I C 2.357 178.540 176.117 0.110 0.000 1.194 63 I CA 0.499 61.846 61.300 0.079 0.000 1.473 63 I CB -0.279 37.757 38.000 0.060 0.000 1.096 63 I HN 0.150 nan 8.210 nan 0.000 0.443 64 V N 1.022 121.000 119.914 0.107 0.000 2.407 64 V HA -0.130 3.988 4.120 -0.003 0.000 0.245 64 V C 2.812 179.014 176.094 0.181 0.000 1.041 64 V CA 1.557 63.943 62.300 0.144 0.000 1.040 64 V CB -0.889 31.002 31.823 0.114 0.000 0.671 64 V HN 0.434 nan 8.190 nan 0.000 0.455 65 A N 0.569 123.473 122.820 0.139 0.000 1.892 65 A HA -0.209 4.109 4.320 -0.003 0.000 0.218 65 A C 2.396 180.063 177.584 0.138 0.000 1.188 65 A CA 2.517 54.635 52.037 0.134 0.000 0.631 65 A CB -0.856 18.202 19.000 0.096 0.000 0.822 65 A HN 0.346 nan 8.150 nan 0.000 0.447 66 V N -1.523 118.470 119.914 0.132 0.000 2.220 66 V HA -0.330 3.788 4.120 -0.003 0.000 0.246 66 V C 2.347 178.529 176.094 0.147 0.000 1.049 66 V CA 2.296 64.669 62.300 0.122 0.000 1.003 66 V CB -1.325 30.571 31.823 0.121 0.000 0.634 66 V HN 0.674 nan 8.190 nan 0.000 0.444 67 Y N 0.817 121.174 120.300 0.096 0.000 2.139 67 Y HA -0.352 4.196 4.550 -0.004 0.000 0.282 67 Y C 2.681 178.642 175.900 0.102 0.000 1.179 67 Y CA 2.332 60.506 58.100 0.124 0.000 1.161 67 Y CB -0.393 38.158 38.460 0.153 0.000 0.970 67 Y HN 0.249 nan 8.280 nan 0.000 0.511 68 Q N 0.166 120.042 119.800 0.127 0.000 2.014 68 Q HA -0.220 4.118 4.340 -0.003 0.000 0.207 68 Q C 2.735 178.619 176.000 -0.192 0.000 0.993 68 Q CA 2.724 58.506 55.803 -0.036 0.000 0.850 68 Q CB -0.749 28.070 28.738 0.136 0.000 0.916 68 Q HN 0.632 nan 8.270 nan 0.000 0.417 69 S N 0.085 115.798 115.700 0.021 0.000 2.380 69 S HA -0.216 4.252 4.470 -0.003 0.000 0.229 69 S C 1.901 176.430 174.600 -0.118 0.000 1.043 69 S CA 1.453 59.682 58.200 0.049 0.000 1.038 69 S CB -0.756 62.457 63.200 0.022 0.000 0.872 69 S HN 0.342 nan 8.310 nan 0.000 0.456 70 I N 2.615 123.071 120.570 -0.190 0.000 2.068 70 I HA -0.219 3.949 4.170 -0.003 0.000 0.238 70 I C 2.643 178.568 176.117 -0.320 0.000 1.046 70 I CA 1.522 62.658 61.300 -0.274 0.000 1.306 70 I CB -1.708 36.101 38.000 -0.318 0.000 1.023 70 I HN 0.348 nan 8.210 nan 0.000 0.399 71 L N -0.023 120.966 121.223 -0.389 0.000 1.978 71 L HA -0.269 4.068 4.340 -0.003 0.000 0.218 71 L C 2.723 179.396 176.870 -0.329 0.000 1.075 71 L CA 1.799 56.437 54.840 -0.337 0.000 0.767 71 L CB -0.989 40.863 42.059 -0.345 0.000 0.890 71 L HN 0.087 nan 8.230 nan 0.000 0.434 72 F N -0.379 119.390 119.950 -0.301 0.000 2.236 72 F HA -0.296 4.229 4.527 -0.004 0.000 0.302 72 F C 2.796 178.413 175.800 -0.306 0.000 1.073 72 F CA 1.313 59.101 58.000 -0.354 0.000 1.336 72 F CB -0.198 38.572 39.000 -0.383 0.000 1.040 72 F HN 0.240 nan 8.300 nan 0.000 0.507 73 Q N 0.436 120.103 119.800 -0.221 0.000 2.250 73 Q HA -0.046 4.292 4.340 -0.003 0.000 0.200 73 Q C 2.076 177.784 176.000 -0.487 0.000 0.941 73 Q CA 0.587 56.095 55.803 -0.492 0.000 0.872 73 Q CB 0.059 28.340 28.738 -0.762 0.000 0.965 73 Q HN 0.458 nan 8.270 nan 0.000 0.480 74 L N 0.339 121.385 121.223 -0.295 0.000 2.291 74 L HA -0.091 4.247 4.340 -0.003 0.000 0.214 74 L C 1.935 178.805 176.870 -0.000 0.000 1.120 74 L CA 0.470 55.254 54.840 -0.094 0.000 0.799 74 L CB -0.101 41.941 42.059 -0.029 0.000 0.925 74 L HN 0.294 nan 8.230 nan 0.000 0.446 75 L N -0.694 120.516 121.223 -0.022 0.000 2.341 75 L HA 0.151 4.488 4.340 -0.003 0.000 0.214 75 L C 1.157 178.156 176.870 0.215 0.000 1.115 75 L CA 0.493 55.384 54.840 0.084 0.000 0.820 75 L CB -0.316 41.734 42.059 -0.015 0.000 0.944 75 L HN 0.421 nan 8.230 nan 0.000 0.452 76 G N -0.620 108.239 108.800 0.097 0.000 2.631 76 G HA2 -0.168 3.790 3.960 -0.003 0.000 0.504 76 G HA3 -0.168 3.790 3.960 -0.003 0.000 0.504 76 G C -2.434 172.498 174.900 0.053 0.000 1.306 76 G CA -0.479 44.673 45.100 0.087 0.000 0.897 76 G HN -0.073 nan 8.290 nan 0.000 0.520 77 P HA 0.072 nan 4.420 nan 0.000 0.233 77 P C 1.816 179.061 177.300 -0.091 0.000 1.167 77 P CA 2.020 65.103 63.100 -0.029 0.000 0.770 77 P CB 0.035 31.732 31.700 -0.005 0.000 0.837 78 T N -4.620 109.829 114.554 -0.176 0.000 3.148 78 T HA 0.109 4.457 4.350 -0.003 0.000 0.253 78 T C 0.053 174.396 174.700 -0.594 0.000 1.134 78 T CA 0.177 62.041 62.100 -0.393 0.000 1.051 78 T CB -0.761 67.776 68.868 -0.552 0.000 0.959 78 T HN -0.173 nan 8.240 nan 0.000 0.525 79 F N 2.412 122.315 119.950 -0.078 0.000 2.539 79 F HA 0.486 5.011 4.527 -0.003 0.000 0.318 79 F C -2.585 173.109 175.800 -0.177 0.000 1.135 79 F CA -3.031 54.911 58.000 -0.097 0.000 0.915 79 F CB 1.925 40.891 39.000 -0.056 0.000 1.176 79 F HN -0.153 nan 8.300 nan 0.000 0.440 80 P HA 0.216 nan 4.420 nan 0.000 0.282 80 P C -0.479 176.473 177.300 -0.580 0.000 1.262 80 P CA -0.286 62.674 63.100 -0.234 0.000 0.773 80 P CB 1.346 32.936 31.700 -0.183 0.000 0.879 81 A N 2.780 125.149 122.820 -0.752 0.000 3.152 81 A HA 0.269 4.587 4.320 -0.003 0.000 0.280 81 A C 0.549 177.092 177.584 -1.734 0.000 2.009 81 A CA 0.568 51.627 52.037 -1.629 0.000 1.494 81 A CB -1.449 17.079 19.000 -0.787 0.000 0.941 81 A HN 0.506 nan 8.150 nan 0.000 0.601 82 S N -0.066 114.554 115.700 -1.800 0.000 2.388 82 S HA 0.213 4.681 4.470 -0.003 0.000 0.279 82 S C 0.180 174.616 174.600 -0.274 0.000 0.987 82 S CA -0.712 57.044 58.200 -0.741 0.000 0.993 82 S CB -0.265 62.706 63.200 -0.382 0.000 1.207 82 S HN 0.570 nan 8.310 nan 0.000 0.425 83 W N 2.704 124.155 121.300 0.252 0.000 2.335 83 W HA -0.124 4.534 4.660 -0.003 0.000 0.311 83 W C 2.445 179.002 176.519 0.063 0.000 1.213 83 W CA 1.633 59.108 57.345 0.216 0.000 1.274 83 W CB -0.645 28.928 29.460 0.189 0.000 1.148 83 W HN 0.618 nan 8.180 nan 0.000 0.498 84 T N -0.126 114.577 114.554 0.248 0.000 2.759 84 T HA -0.279 4.068 4.350 -0.003 0.000 0.269 84 T C 1.471 176.156 174.700 -0.024 0.000 1.042 84 T CA 1.862 64.019 62.100 0.094 0.000 1.140 84 T CB -0.279 68.627 68.868 0.065 0.000 0.864 84 T HN 0.301 nan 8.240 nan 0.000 0.455 85 E N 0.361 120.534 120.200 -0.044 0.000 2.060 85 E HA 0.001 4.348 4.350 -0.003 0.000 0.189 85 E C 2.194 178.767 176.600 -0.045 0.000 0.974 85 E CA 0.451 56.793 56.400 -0.096 0.000 0.808 85 E CB -0.114 29.506 29.700 -0.134 0.000 0.768 85 E HN 0.443 nan 8.360 nan 0.000 0.453 86 I N 0.888 121.463 120.570 0.009 0.000 2.315 86 I HA -0.238 3.930 4.170 -0.003 0.000 0.251 86 I C 2.380 178.557 176.117 0.100 0.000 1.125 86 I CA 1.312 62.669 61.300 0.095 0.000 1.392 86 I CB -0.408 37.709 38.000 0.195 0.000 1.065 86 I HN 0.245 nan 8.210 nan 0.000 0.424 87 G N 0.210 109.058 108.800 0.081 0.000 2.395 87 G HA2 -0.067 3.891 3.960 -0.003 0.000 0.214 87 G HA3 -0.067 3.891 3.960 -0.003 0.000 0.214 87 G C 1.657 176.550 174.900 -0.012 0.000 1.177 87 G CA 0.548 45.673 45.100 0.042 0.000 0.794 87 G HN 0.470 nan 8.290 nan 0.000 0.532 88 A N 0.686 123.447 122.820 -0.098 0.000 2.252 88 A HA 0.255 4.573 4.320 -0.003 0.000 0.207 88 A C 2.199 179.757 177.584 -0.044 0.000 1.194 88 A CA 1.844 53.783 52.037 -0.163 0.000 0.809 88 A CB -0.590 18.121 19.000 -0.480 0.000 0.814 88 A HN 0.454 nan 8.150 nan 0.000 0.482 89 T N -3.832 110.724 114.554 0.004 0.000 3.040 89 T HA 0.338 4.685 4.350 -0.003 0.000 0.250 89 T C 0.716 175.466 174.700 0.083 0.000 1.058 89 T CA -0.291 61.827 62.100 0.029 0.000 0.988 89 T CB -0.499 68.374 68.868 0.008 0.000 0.993 89 T HN 0.286 nan 8.240 nan 0.000 0.519 90 M N 3.784 123.450 119.600 0.110 0.000 2.255 90 M HA 0.141 4.619 4.480 -0.003 0.000 0.356 90 M C -2.027 174.438 176.300 0.276 0.000 1.338 90 M CA -0.910 54.470 55.300 0.134 0.000 0.962 90 M CB 0.126 32.721 32.600 -0.008 0.000 1.877 90 M HN 0.122 nan 8.290 nan 0.000 0.463 91 P HA 0.078 nan 4.420 nan 0.000 0.278 91 P C -0.253 177.316 177.300 0.448 0.000 1.238 91 P CA -0.017 63.215 63.100 0.220 0.000 0.794 91 P CB 0.383 32.154 31.700 0.117 0.000 0.955 92 H N 1.492 120.698 119.070 0.226 0.000 2.390 92 H HA -0.172 4.382 4.556 -0.003 0.000 0.298 92 H C 1.867 177.364 175.328 0.281 0.000 1.106 92 H CA 1.357 57.521 56.048 0.194 0.000 1.297 92 H CB -0.097 29.659 29.762 -0.009 0.000 1.375 92 H HN 0.570 nan 8.280 nan 0.000 0.509 93 N N 1.730 120.602 118.700 0.287 0.000 2.513 93 N HA -0.178 4.560 4.740 -0.003 0.000 0.187 93 N C 0.829 176.431 175.510 0.154 0.000 1.056 93 N CA 1.010 54.160 53.050 0.167 0.000 0.907 93 N CB -0.210 38.327 38.487 0.083 0.000 0.954 93 N HN 0.542 nan 8.380 nan 0.000 0.445 94 E N -0.872 119.459 120.200 0.217 0.000 2.419 94 E HA 0.108 4.455 4.350 -0.003 0.000 0.190 94 E C -0.682 175.902 176.600 -0.026 0.000 1.040 94 E CA -0.297 56.151 56.400 0.080 0.000 0.900 94 E CB 0.219 29.942 29.700 0.039 0.000 1.054 94 E HN 0.329 nan 8.360 nan 0.000 0.462 95 Y N -1.040 119.276 120.300 0.027 0.000 2.534 95 Y HA 0.145 4.692 4.550 -0.004 0.000 0.329 95 Y C 1.762 177.626 175.900 -0.059 0.000 1.154 95 Y CA -0.621 57.482 58.100 0.006 0.000 1.192 95 Y CB 1.118 39.600 38.460 0.037 0.000 1.275 95 Y HN -0.209 nan 8.280 nan 0.000 0.491 96 T N 0.697 115.274 114.554 0.038 0.000 2.995 96 T HA -0.030 4.318 4.350 -0.003 0.000 0.269 96 T C -0.227 174.066 174.700 -0.678 0.000 1.091 96 T CA 1.325 63.227 62.100 -0.329 0.000 1.128 96 T CB -0.335 68.310 68.868 -0.371 0.000 0.891 96 T HN 0.309 nan 8.240 nan 0.000 0.492 97 F N 1.068 121.133 119.950 0.191 0.000 2.646 97 F HA 0.322 4.847 4.527 -0.003 0.000 0.336 97 F C -1.951 173.909 175.800 0.100 0.000 1.437 97 F CA -2.754 55.349 58.000 0.172 0.000 1.142 97 F CB 1.322 40.464 39.000 0.238 0.000 1.530 97 F HN -0.107 nan 8.300 nan 0.000 0.591 98 P HA -0.157 nan 4.420 nan 0.000 0.229 98 P C 0.876 178.139 177.300 -0.062 0.000 1.150 98 P CA 1.195 64.328 63.100 0.055 0.000 0.765 98 P CB 0.238 31.996 31.700 0.097 0.000 0.783 99 R N -1.856 118.581 120.500 -0.105 0.000 2.334 99 R HA 0.213 4.551 4.340 -0.003 0.000 0.216 99 R C 0.053 175.912 176.300 -0.736 0.000 0.905 99 R CA 0.158 56.018 56.100 -0.400 0.000 1.064 99 R CB 0.127 30.128 30.300 -0.498 0.000 1.046 99 R HN 0.142 nan 8.270 nan 0.000 0.508 100 F N 0.531 120.470 119.950 -0.018 0.000 2.646 100 F HA 0.333 4.858 4.527 -0.002 0.000 0.336 100 F C -0.663 175.062 175.800 -0.124 0.000 1.437 100 F CA -1.108 56.855 58.000 -0.062 0.000 1.142 100 F CB 0.623 39.590 39.000 -0.055 0.000 1.530 100 F HN -0.224 nan 8.300 nan 0.000 0.591 101 I N 1.090 121.570 120.570 -0.150 0.000 2.325 101 I HA 0.325 4.493 4.170 -0.003 0.000 0.291 101 I C 0.427 176.444 176.117 -0.167 0.000 1.019 101 I CA 0.201 61.306 61.300 -0.325 0.000 1.302 101 I CB 1.063 38.597 38.000 -0.777 0.000 1.401 101 I HN 0.179 nan 8.210 nan 0.000 0.485 102 S N 5.298 120.946 115.700 -0.086 0.000 2.621 102 S HA 0.485 4.953 4.470 -0.003 0.000 0.302 102 S C -0.167 174.437 174.600 0.008 0.000 1.093 102 S CA -0.857 57.326 58.200 -0.029 0.000 1.017 102 S CB 1.121 64.313 63.200 -0.013 0.000 1.077 102 S HN 0.492 nan 8.310 nan 0.000 0.517 103 N N 3.595 122.310 118.700 0.025 0.000 2.949 103 N HA 0.245 4.983 4.740 -0.003 0.000 0.243 103 N C -2.456 173.035 175.510 -0.033 0.000 1.113 103 N CA -1.044 52.059 53.050 0.088 0.000 0.980 103 N CB 0.291 38.839 38.487 0.102 0.000 1.256 103 N HN 0.454 nan 8.380 nan 0.000 0.508 104 P HA 0.021 nan 4.420 nan 0.000 0.267 104 P C -1.517 175.524 177.300 -0.431 0.000 1.195 104 P CA -0.604 62.312 63.100 -0.307 0.000 0.773 104 P CB 0.740 32.213 31.700 -0.379 0.000 0.837 105 P HA -0.152 nan 4.420 nan 0.000 0.208 105 P C 0.556 177.652 177.300 -0.342 0.000 1.195 105 P CA 1.479 64.442 63.100 -0.229 0.000 0.927 105 P CB 0.115 31.729 31.700 -0.143 0.000 0.778 106 Q N -1.338 118.259 119.800 -0.339 0.000 2.237 106 Q HA 0.479 4.816 4.340 -0.003 0.000 0.219 106 Q C -0.796 174.873 176.000 -0.552 0.000 0.999 106 Q CA -0.223 55.400 55.803 -0.300 0.000 0.959 106 Q CB 0.562 29.207 28.738 -0.155 0.000 1.173 106 Q HN 0.089 nan 8.270 nan 0.000 0.527 107 F N 0.180 120.119 119.950 -0.019 0.000 2.941 107 F HA 0.364 4.890 4.527 -0.002 0.000 0.359 107 F C -0.164 175.621 175.800 -0.025 0.000 1.231 107 F CA -0.917 57.075 58.000 -0.013 0.000 1.089 107 F CB 0.996 39.999 39.000 0.005 0.000 1.407 107 F HN 0.637 nan 8.300 nan 0.000 0.538 108 A N 1.863 124.754 122.820 0.117 0.000 2.632 108 A HA 0.304 4.622 4.320 -0.003 0.000 0.229 108 A C 0.348 177.963 177.584 0.053 0.000 1.047 108 A CA 0.570 52.628 52.037 0.035 0.000 0.754 108 A CB -0.136 18.860 19.000 -0.006 0.000 0.969 108 A HN 0.628 nan 8.150 nan 0.000 0.509 109 T N 2.724 117.281 114.554 0.005 0.000 2.779 109 T HA 0.564 4.912 4.350 -0.003 0.000 0.280 109 T C -0.197 174.484 174.700 -0.033 0.000 0.987 109 T CA -0.208 61.904 62.100 0.020 0.000 0.966 109 T CB 0.487 69.362 68.868 0.012 0.000 0.933 109 T HN 0.749 nan 8.240 nan 0.000 0.442 110 L N 0.476 121.672 121.223 -0.044 0.000 2.370 110 L HA 1.060 5.398 4.340 -0.003 0.000 0.266 110 L C -0.861 175.806 176.870 -0.337 0.000 1.002 110 L CA -1.409 53.267 54.840 -0.273 0.000 0.818 110 L CB 1.973 43.743 42.059 -0.481 0.000 1.325 110 L HN 0.643 nan 8.230 nan 0.000 0.418 111 A N 2.237 124.765 122.820 -0.486 0.000 2.402 111 A HA 0.804 5.122 4.320 -0.003 0.000 0.291 111 A C -1.428 175.900 177.584 -0.428 0.000 1.051 111 A CA -0.279 51.579 52.037 -0.298 0.000 0.716 111 A CB 0.941 19.944 19.000 0.004 0.000 1.223 111 A HN 0.547 nan 8.150 nan 0.000 0.425 112 F N 2.136 122.080 119.950 -0.011 0.000 2.408 112 F HA 0.634 5.159 4.527 -0.003 0.000 0.344 112 F C 0.250 176.243 175.800 0.322 0.000 1.112 112 F CA -0.543 57.493 58.000 0.060 0.000 1.096 112 F CB 1.337 40.214 39.000 -0.206 0.000 1.129 112 F HN 0.361 nan 8.300 nan 0.000 0.486 113 L N 4.195 125.699 121.223 0.470 0.000 2.333 113 L HA 0.572 4.910 4.340 -0.003 0.000 0.269 113 L C -2.558 174.424 176.870 0.185 0.000 1.010 113 L CA -2.305 52.655 54.840 0.199 0.000 0.818 113 L CB 2.443 44.518 42.059 0.028 0.000 1.306 113 L HN 0.304 nan 8.230 nan 0.000 0.430 114 P HA 0.379 nan 4.420 nan 0.000 0.279 114 P C -1.195 175.908 177.300 -0.328 0.000 1.239 114 P CA -0.160 62.671 63.100 -0.450 0.000 0.789 114 P CB 0.838 32.248 31.700 -0.485 0.000 0.933 115 L N 2.700 123.696 121.223 -0.379 0.000 2.422 115 L HA 0.372 4.710 4.340 -0.003 0.000 0.264 115 L C 1.234 177.985 176.870 -0.198 0.000 0.984 115 L CA -0.729 53.985 54.840 -0.210 0.000 0.819 115 L CB 2.187 44.185 42.059 -0.101 0.000 1.330 115 L HN 0.276 nan 8.230 nan 0.000 0.410 116 L N 0.498 121.632 121.223 -0.148 0.000 2.127 116 L HA 0.105 4.443 4.340 -0.003 0.000 0.203 116 L C 0.721 177.543 176.870 -0.080 0.000 1.080 116 L CA 0.662 55.434 54.840 -0.114 0.000 0.768 116 L CB -0.193 41.803 42.059 -0.106 0.000 0.924 116 L HN 0.711 nan 8.230 nan 0.000 0.444 117 S N -2.145 113.467 115.700 -0.146 0.000 2.564 117 S HA 0.406 4.874 4.470 -0.003 0.000 0.274 117 S C -2.246 172.156 174.600 -0.330 0.000 1.124 117 S CA -1.247 56.797 58.200 -0.261 0.000 0.869 117 S CB 1.849 64.946 63.200 -0.173 0.000 1.105 117 S HN -0.179 nan 8.310 nan 0.000 0.472 118 P HA -0.095 nan 4.420 nan 0.000 0.226 118 P C 1.185 178.389 177.300 -0.161 0.000 1.146 118 P CA 1.432 64.338 63.100 -0.324 0.000 0.773 118 P CB -0.375 31.123 31.700 -0.337 0.000 0.772 119 T N -4.231 110.233 114.554 -0.150 0.000 3.023 119 T HA 0.049 4.397 4.350 -0.003 0.000 0.249 119 T C 1.051 175.704 174.700 -0.080 0.000 1.050 119 T CA 0.129 62.172 62.100 -0.095 0.000 1.088 119 T CB -0.945 67.872 68.868 -0.086 0.000 0.946 119 T HN 0.181 nan 8.240 nan 0.000 0.480 120 S N 3.977 119.621 115.700 -0.093 0.000 2.573 120 S HA 0.216 4.684 4.470 -0.003 0.000 0.297 120 S C -1.717 172.846 174.600 -0.061 0.000 1.280 120 S CA -1.007 57.147 58.200 -0.077 0.000 1.061 120 S CB -0.238 62.909 63.200 -0.089 0.000 0.812 120 S HN 0.483 nan 8.310 nan 0.000 0.500 121 P HA 0.288 nan 4.420 nan 0.000 0.286 121 P C -0.659 176.616 177.300 -0.042 0.000 1.293 121 P CA -0.826 62.250 63.100 -0.040 0.000 0.770 121 P CB 0.400 32.079 31.700 -0.035 0.000 1.206 122 L N 0.900 122.103 121.223 -0.033 0.000 2.260 122 L HA 0.364 4.702 4.340 -0.003 0.000 0.289 122 L C -0.389 176.460 176.870 -0.035 0.000 1.057 122 L CA 0.160 54.980 54.840 -0.034 0.000 0.811 122 L CB -0.361 41.684 42.059 -0.022 0.000 1.184 122 L HN 0.216 nan 8.230 nan 0.000 0.429 123 D N 4.868 125.240 120.400 -0.046 0.000 2.414 123 D HA 0.171 4.809 4.640 -0.003 0.000 0.232 123 D C 0.735 177.012 176.300 -0.039 0.000 1.070 123 D CA -0.229 53.747 54.000 -0.040 0.000 0.839 123 D CB 1.296 42.069 40.800 -0.045 0.000 1.079 123 D HN 0.680 nan 8.370 nan 0.000 0.521 124 L N 3.300 124.510 121.223 -0.022 0.000 2.552 124 L HA 0.103 4.441 4.340 -0.003 0.000 0.227 124 L C 2.384 179.252 176.870 -0.004 0.000 1.146 124 L CA 0.270 55.103 54.840 -0.012 0.000 0.858 124 L CB 0.082 42.141 42.059 0.000 0.000 0.969 124 L HN 0.296 nan 8.230 nan 0.000 0.451 125 R N 0.050 120.546 120.500 -0.007 0.000 2.189 125 R HA 0.046 4.384 4.340 -0.003 0.000 0.203 125 R C 2.163 178.463 176.300 0.001 0.000 1.012 125 R CA 0.854 56.955 56.100 0.003 0.000 1.015 125 R CB 0.086 30.387 30.300 0.001 0.000 0.938 125 R HN 0.255 nan 8.270 nan 0.000 0.472 126 A N 1.087 123.897 122.820 -0.018 0.000 2.121 126 A HA -0.061 4.257 4.320 -0.003 0.000 0.218 126 A C 2.001 179.573 177.584 -0.019 0.000 1.154 126 A CA 0.737 52.759 52.037 -0.026 0.000 0.679 126 A CB -0.286 18.680 19.000 -0.056 0.000 0.795 126 A HN 0.280 nan 8.150 nan 0.000 0.458 127 L N -1.245 119.966 121.223 -0.020 0.000 2.072 127 L HA -0.163 4.175 4.340 -0.003 0.000 0.205 127 L C 2.764 179.684 176.870 0.083 0.000 1.079 127 L CA 0.811 55.653 54.840 0.005 0.000 0.752 127 L CB -0.451 41.606 42.059 -0.004 0.000 0.906 127 L HN 0.331 nan 8.230 nan 0.000 0.436 128 M N -0.413 119.226 119.600 0.065 0.000 2.180 128 M HA -0.208 4.270 4.480 -0.003 0.000 0.260 128 M C 2.438 178.790 176.300 0.087 0.000 1.071 128 M CA 1.656 57.001 55.300 0.076 0.000 1.096 128 M CB -1.255 31.377 32.600 0.052 0.000 1.276 128 M HN 0.047 nan 8.290 nan 0.000 0.426 129 V N 0.593 120.547 119.914 0.067 0.000 2.252 129 V HA -0.378 3.740 4.120 -0.003 0.000 0.255 129 V C 2.461 178.624 176.094 0.115 0.000 1.071 129 V CA 2.636 64.980 62.300 0.073 0.000 1.050 129 V CB -1.557 30.297 31.823 0.050 0.000 0.654 129 V HN 0.552 nan 8.190 nan 0.000 0.448 130 T N 0.217 114.857 114.554 0.143 0.000 2.580 130 T HA -0.247 4.101 4.350 -0.003 0.000 0.265 130 T C 2.033 176.910 174.700 0.294 0.000 1.063 130 T CA 2.027 64.282 62.100 0.258 0.000 1.170 130 T CB -0.649 68.387 68.868 0.280 0.000 0.863 130 T HN 0.636 nan 8.240 nan 0.000 0.418 131 A N 1.387 124.363 122.820 0.258 0.000 1.940 131 A HA -0.222 4.096 4.320 -0.003 0.000 0.219 131 A C 2.307 179.965 177.584 0.123 0.000 1.176 131 A CA 1.850 54.006 52.037 0.198 0.000 0.631 131 A CB -0.746 18.361 19.000 0.179 0.000 0.814 131 A HN 0.633 nan 8.150 nan 0.000 0.446 132 Q N -0.251 119.616 119.800 0.111 0.000 2.002 132 Q HA -0.159 4.179 4.340 -0.003 0.000 0.204 132 Q C 2.145 178.192 176.000 0.077 0.000 0.988 132 Q CA 1.583 57.434 55.803 0.080 0.000 0.843 132 Q CB -0.495 28.285 28.738 0.070 0.000 0.908 132 Q HN 0.683 nan 8.270 nan 0.000 0.420 133 L N 0.017 121.300 121.223 0.099 0.000 2.010 133 L HA -0.296 4.041 4.340 -0.003 0.000 0.219 133 L C 2.667 179.572 176.870 0.059 0.000 1.077 133 L CA 1.157 56.054 54.840 0.095 0.000 0.773 133 L CB -0.712 41.440 42.059 0.154 0.000 0.892 133 L HN 0.396 nan 8.230 nan 0.000 0.436 134 M N -0.556 119.069 119.600 0.041 0.000 2.082 134 M HA -0.288 4.189 4.480 -0.003 0.000 0.258 134 M C 2.624 178.932 176.300 0.014 0.000 1.071 134 M CA 1.991 57.271 55.300 -0.033 0.000 1.103 134 M CB -1.438 31.108 32.600 -0.091 0.000 1.307 134 M HN 0.534 nan 8.290 nan 0.000 0.409 135 C N 0.933 120.253 119.300 0.033 0.000 2.401 135 C HA -0.216 4.241 4.460 -0.003 0.000 0.276 135 C C 2.310 177.321 174.990 0.035 0.000 1.233 135 C CA 1.354 60.395 59.018 0.039 0.000 1.753 135 C CB -1.125 26.640 27.740 0.042 0.000 2.029 135 C HN 0.514 nan 8.230 nan 0.000 0.478 136 D N 0.522 120.943 120.400 0.034 0.000 2.092 136 D HA 0.058 4.696 4.640 -0.003 0.000 0.203 136 D C 1.323 177.636 176.300 0.020 0.000 0.978 136 D CA 1.400 55.417 54.000 0.028 0.000 0.861 136 D CB -0.977 39.843 40.800 0.033 0.000 1.005 136 D HN 0.561 nan 8.370 nan 0.000 0.450 137 A N 2.121 124.953 122.820 0.021 0.000 2.355 137 A HA -0.210 4.108 4.320 -0.003 0.000 0.309 137 A C 0.436 178.019 177.584 -0.002 0.000 0.864 137 A CA 1.121 53.164 52.037 0.011 0.000 1.274 137 A CB -0.552 18.451 19.000 0.005 0.000 0.690 137 A HN 0.166 nan 8.150 nan 0.000 0.335 138 K N 2.080 122.475 120.400 -0.009 0.000 2.267 138 K HA 0.543 4.861 4.320 -0.003 0.000 0.236 138 K C 0.514 177.090 176.600 -0.040 0.000 1.030 138 K CA -1.063 55.210 56.287 -0.023 0.000 0.930 138 K CB 0.679 33.168 32.500 -0.018 0.000 1.182 138 K HN 0.637 nan 8.250 nan 0.000 0.474 139 R N 0.385 120.851 120.500 -0.057 0.000 2.954 139 R HA 0.095 4.433 4.340 -0.003 0.000 0.276 139 R C 1.583 177.851 176.300 -0.054 0.000 1.218 139 R CA 0.339 56.395 56.100 -0.073 0.000 1.149 139 R CB -0.221 30.024 30.300 -0.092 0.000 1.112 139 R HN 0.485 nan 8.270 nan 0.000 0.577 140 L N -0.264 120.922 121.223 -0.061 0.000 2.307 140 L HA 0.040 4.378 4.340 -0.003 0.000 0.211 140 L C 1.560 178.404 176.870 -0.043 0.000 1.099 140 L CA 0.858 55.670 54.840 -0.046 0.000 0.816 140 L CB -0.302 41.727 42.059 -0.050 0.000 0.952 140 L HN 0.646 nan 8.230 nan 0.000 0.455 141 S N -1.635 114.032 115.700 -0.054 0.000 2.803 141 S HA -0.027 4.440 4.470 -0.003 0.000 0.226 141 S C 0.694 175.271 174.600 -0.038 0.000 0.962 141 S CA 0.224 58.395 58.200 -0.048 0.000 0.968 141 S CB -0.301 62.862 63.200 -0.060 0.000 0.786 141 S HN 0.374 nan 8.310 nan 0.000 0.527 142 D N 1.177 121.557 120.400 -0.033 0.000 3.136 142 D HA 0.113 4.751 4.640 -0.003 0.000 0.254 142 D C 0.577 176.867 176.300 -0.016 0.000 1.563 142 D CA 0.040 54.026 54.000 -0.024 0.000 1.225 142 D CB -0.343 40.442 40.800 -0.024 0.000 1.079 142 D HN 0.474 nan 8.370 nan 0.000 0.314 151 S N 0.135 115.847 115.700 0.019 0.000 2.584 151 S HA 0.180 4.647 4.470 -0.003 0.000 0.240 151 S C 1.461 176.085 174.600 0.040 0.000 0.975 151 S CA 0.754 58.972 58.200 0.031 0.000 0.949 151 S CB -0.282 62.934 63.200 0.027 0.000 0.761 151 S HN 0.568 nan 8.310 nan 0.000 0.536 152 A N 1.373 124.209 122.820 0.027 0.000 2.197 152 A HA 0.323 4.641 4.320 -0.003 0.000 0.210 152 A C 2.079 179.697 177.584 0.056 0.000 1.180 152 A CA 0.471 52.523 52.037 0.024 0.000 0.846 152 A CB -0.213 18.784 19.000 -0.004 0.000 0.884 152 A HN 0.654 nan 8.150 nan 0.000 0.487 153 S N -0.633 115.098 115.700 0.050 0.000 2.535 153 S HA 0.243 4.711 4.470 -0.003 0.000 0.214 153 S C 1.265 175.900 174.600 0.058 0.000 0.980 153 S CA 0.242 58.472 58.200 0.050 0.000 0.907 153 S CB -0.227 62.992 63.200 0.032 0.000 0.790 153 S HN 0.393 nan 8.310 nan 0.000 0.510 154 L N 0.056 121.321 121.223 0.070 0.000 2.575 154 L HA 0.347 4.685 4.340 -0.003 0.000 0.228 154 L C 0.816 177.731 176.870 0.075 0.000 1.075 154 L CA -0.266 54.609 54.840 0.059 0.000 0.867 154 L CB -0.531 41.553 42.059 0.040 0.000 1.097 154 L HN 0.296 nan 8.230 nan 0.000 0.485 155 H N 1.225 120.302 119.070 0.011 0.000 3.157 155 H HA 0.206 4.760 4.556 -0.003 0.000 0.299 155 H C 1.198 176.537 175.328 0.019 0.000 0.961 155 H CA 1.052 57.107 56.048 0.012 0.000 1.428 155 H CB 0.367 30.134 29.762 0.010 0.000 1.459 155 H HN 0.329 nan 8.280 nan 0.000 0.566 156 G N 4.143 112.727 108.800 -0.361 0.000 2.241 156 G HA2 -0.284 3.674 3.960 -0.003 0.000 0.244 156 G HA3 -0.284 3.674 3.960 -0.003 0.000 0.244 156 G C 0.486 175.342 174.900 -0.073 0.000 0.998 156 G CA 0.121 45.081 45.100 -0.233 0.000 0.621 156 G HN 0.728 nan 8.290 nan 0.000 0.519 157 R N 0.457 120.941 120.500 -0.027 0.000 2.543 157 R HA 0.518 4.856 4.340 -0.003 0.000 0.277 157 R C 0.804 177.122 176.300 0.030 0.000 1.074 157 R CA -0.230 55.882 56.100 0.020 0.000 1.076 157 R CB 0.373 30.692 30.300 0.033 0.000 0.993 157 R HN 0.179 nan 8.270 nan 0.000 0.459 158 M N 1.652 121.291 119.600 0.064 0.000 2.247 158 M HA 0.361 4.839 4.480 -0.003 0.000 0.326 158 M C -0.228 176.120 176.300 0.080 0.000 1.134 158 M CA -0.385 54.966 55.300 0.085 0.000 1.136 158 M CB 1.319 33.992 32.600 0.123 0.000 1.454 158 M HN 0.444 nan 8.290 nan 0.000 0.467 159 V N 0.764 120.734 119.914 0.093 0.000 2.915 159 V HA 0.729 4.847 4.120 -0.003 0.000 0.282 159 V C -1.754 174.405 176.094 0.108 0.000 1.445 159 V CA -0.588 61.749 62.300 0.063 0.000 0.953 159 V CB 1.760 33.591 31.823 0.013 0.000 1.140 159 V HN 1.102 nan 8.190 nan 0.000 0.440 160 A N 3.748 126.601 122.820 0.056 0.000 2.309 160 A HA 0.990 5.308 4.320 -0.003 0.000 0.317 160 A C 0.116 177.615 177.584 -0.141 0.000 1.134 160 A CA -0.106 51.977 52.037 0.076 0.000 0.866 160 A CB 1.875 20.978 19.000 0.172 0.000 1.329 160 A HN 1.819 nan 8.150 nan 0.000 0.477 161 T N -0.531 113.940 114.554 -0.138 0.000 3.154 161 T HA 0.445 4.793 4.350 -0.003 0.000 0.381 161 T C -1.879 172.509 174.700 -0.521 0.000 1.368 161 T CA -1.479 60.446 62.100 -0.292 0.000 1.155 161 T CB 0.971 69.756 68.868 -0.138 0.000 1.120 161 T HN 0.403 nan 8.240 nan 0.000 0.570 162 P HA -0.209 nan 4.420 nan 0.000 0.215 162 P C 0.954 177.961 177.300 -0.488 0.000 1.163 162 P CA 1.538 63.832 63.100 -1.343 0.000 0.894 162 P CB 0.329 31.368 31.700 -1.103 0.000 0.791 163 E N -1.021 118.984 120.200 -0.326 0.000 2.472 163 E HA -0.005 4.343 4.350 -0.003 0.000 0.200 163 E C 0.722 177.238 176.600 -0.140 0.000 1.046 163 E CA 0.551 56.847 56.400 -0.174 0.000 0.871 163 E CB -0.350 29.239 29.700 -0.185 0.000 0.806 163 E HN 0.309 nan 8.360 nan 0.000 0.533 164 I N 0.486 120.952 120.570 -0.174 0.000 2.779 164 I HA 0.137 4.305 4.170 -0.003 0.000 0.294 164 I C -0.044 176.096 176.117 0.037 0.000 1.241 164 I CA -0.258 60.978 61.300 -0.106 0.000 1.069 164 I CB -0.434 37.459 38.000 -0.178 0.000 1.772 164 I HN -0.109 nan 8.210 nan 0.000 0.582 165 S N 1.480 117.243 115.700 0.106 0.000 3.257 165 S HA -0.247 4.221 4.470 -0.003 0.000 0.300 165 S C 0.594 175.373 174.600 0.298 0.000 1.275 165 S CA 1.175 59.485 58.200 0.183 0.000 1.023 165 S CB -1.828 61.455 63.200 0.139 0.000 1.180 165 S HN 0.754 nan 8.310 nan 0.000 0.660 166 W N 0.501 121.819 121.300 0.030 0.000 4.233 166 W HA -0.288 4.370 4.660 -0.003 0.000 0.328 166 W C 0.559 177.108 176.519 0.050 0.000 1.212 166 W CA 0.708 58.072 57.345 0.032 0.000 0.752 166 W CB -2.283 27.187 29.460 0.016 0.000 2.277 166 W HN 0.449 nan 8.180 nan 0.000 1.465 167 S N 0.707 116.530 115.700 0.205 0.000 2.554 167 S HA 0.264 4.732 4.470 -0.003 0.000 0.290 167 S C 0.531 175.199 174.600 0.113 0.000 1.309 167 S CA -0.135 58.130 58.200 0.107 0.000 1.047 167 S CB 0.398 63.640 63.200 0.069 0.000 0.828 167 S HN 0.169 nan 8.310 nan 0.000 0.509 168 L N 2.545 123.734 121.223 -0.057 0.000 2.334 168 L HA 0.656 4.994 4.340 -0.003 0.000 0.275 168 L C -0.968 175.779 176.870 -0.206 0.000 1.036 168 L CA -0.737 54.112 54.840 0.014 0.000 0.807 168 L CB 0.673 42.758 42.059 0.042 0.000 1.231 168 L HN 0.612 nan 8.230 nan 0.000 0.438 169 Y N 0.303 120.618 120.300 0.024 0.000 2.625 169 Y HA 0.527 5.075 4.550 -0.003 0.000 0.338 169 Y C -0.532 175.368 175.900 -0.001 0.000 1.123 169 Y CA -0.937 57.166 58.100 0.006 0.000 1.046 169 Y CB 2.158 40.612 38.460 -0.010 0.000 1.299 169 Y HN 0.172 nan 8.280 nan 0.000 0.464 170 V N 2.882 122.889 119.914 0.154 0.000 2.350 170 V HA 0.524 4.641 4.120 -0.003 0.000 0.285 170 V C -0.973 175.131 176.094 0.017 0.000 1.014 170 V CA -0.747 61.588 62.300 0.057 0.000 0.831 170 V CB 0.771 32.602 31.823 0.012 0.000 1.000 170 V HN 0.628 nan 8.190 nan 0.000 0.433 171 V N 8.305 128.219 119.914 -0.000 0.000 2.557 171 V HA 0.021 4.139 4.120 -0.003 0.000 0.301 171 V C 1.222 177.288 176.094 -0.048 0.000 1.026 171 V CA 0.843 63.131 62.300 -0.021 0.000 1.137 171 V CB 0.988 32.807 31.823 -0.008 0.000 0.917 171 V HN 0.886 nan 8.190 nan 0.000 0.484 172 L N 4.082 125.297 121.223 -0.013 0.000 2.609 172 L HA 0.522 4.860 4.340 -0.003 0.000 0.230 172 L C 0.925 177.908 176.870 0.188 0.000 1.087 172 L CA 0.714 55.600 54.840 0.077 0.000 0.874 172 L CB 0.316 42.396 42.059 0.034 0.000 1.114 172 L HN 0.892 nan 8.230 nan 0.000 0.488 173 G N 0.527 109.374 108.800 0.078 0.000 2.321 173 G HA2 0.099 4.057 3.960 -0.003 0.000 0.339 173 G HA3 0.099 4.057 3.960 -0.003 0.000 0.339 173 G C -1.054 173.868 174.900 0.037 0.000 1.518 173 G CA -1.018 44.125 45.100 0.071 0.000 0.994 173 G HN -0.063 nan 8.290 nan 0.000 0.668 174 I N 0.652 121.244 120.570 0.037 0.000 2.471 174 I HA 0.212 4.380 4.170 -0.003 0.000 0.286 174 I C -0.014 176.142 176.117 0.064 0.000 1.079 174 I CA -0.000 61.322 61.300 0.037 0.000 1.398 174 I CB 1.207 39.220 38.000 0.022 0.000 1.403 174 I HN 0.459 nan 8.210 nan 0.000 0.530 175 D N 4.200 124.665 120.400 0.108 0.000 2.518 175 D HA 0.105 4.742 4.640 -0.003 0.000 0.230 175 D C 1.260 177.607 176.300 0.079 0.000 1.138 175 D CA -0.273 53.818 54.000 0.151 0.000 0.964 175 D CB 0.735 41.759 40.800 0.372 0.000 1.011 175 D HN 0.549 nan 8.370 nan 0.000 0.517 176 S N 0.728 116.455 115.700 0.044 0.000 2.500 176 S HA -0.168 4.300 4.470 -0.003 0.000 0.239 176 S C 1.788 176.393 174.600 0.007 0.000 0.989 176 S CA 0.591 58.800 58.200 0.016 0.000 0.951 176 S CB -0.301 62.907 63.200 0.013 0.000 0.759 176 S HN 0.397 nan 8.310 nan 0.000 0.523 177 T N 2.268 116.834 114.554 0.019 0.000 2.869 177 T HA -0.110 4.238 4.350 -0.003 0.000 0.270 177 T C 0.714 175.398 174.700 -0.027 0.000 1.082 177 T CA 1.527 63.629 62.100 0.004 0.000 1.123 177 T CB -0.399 68.478 68.868 0.016 0.000 0.856 177 T HN 0.948 nan 8.240 nan 0.000 0.499 178 Q N -1.775 117.994 119.800 -0.051 0.000 2.630 178 Q HA 0.636 4.974 4.340 -0.003 0.000 0.295 178 Q C -1.440 174.495 176.000 -0.108 0.000 0.944 178 Q CA -1.015 54.736 55.803 -0.087 0.000 0.766 178 Q CB 1.662 30.308 28.738 -0.152 0.000 1.471 178 Q HN -0.068 nan 8.270 nan 0.000 0.416 179 T N -0.439 114.041 114.554 -0.122 0.000 2.901 179 T HA 0.298 4.646 4.350 -0.003 0.000 0.293 179 T C 0.699 175.291 174.700 -0.180 0.000 1.084 179 T CA -0.056 61.970 62.100 -0.125 0.000 1.008 179 T CB 1.764 70.597 68.868 -0.059 0.000 1.170 179 T HN 0.653 nan 8.240 nan 0.000 0.509 180 S N 1.253 116.863 115.700 -0.150 0.000 2.421 180 S HA -0.152 4.316 4.470 -0.003 0.000 0.239 180 S C 1.953 176.578 174.600 0.042 0.000 1.054 180 S CA 1.432 59.583 58.200 -0.081 0.000 1.035 180 S CB -0.433 62.762 63.200 -0.008 0.000 0.840 180 S HN 0.525 nan 8.310 nan 0.000 0.475 181 L N 1.083 122.312 121.223 0.010 0.000 2.291 181 L HA -0.018 4.319 4.340 -0.003 0.000 0.214 181 L C 1.429 178.312 176.870 0.022 0.000 1.120 181 L CA 0.058 54.910 54.840 0.020 0.000 0.799 181 L CB -0.568 41.496 42.059 0.009 0.000 0.925 181 L HN 0.170 nan 8.230 nan 0.000 0.446 182 S N -1.573 114.166 115.700 0.065 0.000 2.737 182 S HA -0.010 4.458 4.470 -0.003 0.000 0.249 182 S C -0.431 174.308 174.600 0.232 0.000 1.415 182 S CA 0.213 58.509 58.200 0.159 0.000 0.967 182 S CB 0.148 63.407 63.200 0.097 0.000 0.937 182 S HN 0.022 nan 8.310 nan 0.000 0.574 183 Y N -0.222 120.201 120.300 0.204 0.000 2.562 183 Y HA 0.633 5.181 4.550 -0.003 0.000 0.343 183 Y C -0.195 175.745 175.900 0.066 0.000 1.025 183 Y CA -0.911 57.203 58.100 0.024 0.000 1.082 183 Y CB 1.464 39.876 38.460 -0.079 0.000 1.264 183 Y HN 0.634 nan 8.280 nan 0.000 0.478 184 F N -1.221 118.767 119.950 0.062 0.000 2.664 184 F HA 0.918 5.443 4.527 -0.003 0.000 0.317 184 F C -0.858 174.921 175.800 -0.036 0.000 1.108 184 F CA -1.064 56.892 58.000 -0.073 0.000 0.957 184 F CB 1.382 40.177 39.000 -0.342 0.000 1.365 184 F HN 0.405 nan 8.300 nan 0.000 0.475 185 T N -1.143 113.563 114.554 0.252 0.000 2.865 185 T HA 0.845 5.193 4.350 -0.003 0.000 0.294 185 T C -1.042 173.749 174.700 0.153 0.000 1.119 185 T CA -1.145 61.018 62.100 0.105 0.000 1.007 185 T CB 2.514 71.396 68.868 0.023 0.000 1.225 185 T HN 0.965 nan 8.240 nan 0.000 0.515 186 R N -0.230 120.311 120.500 0.069 0.000 2.855 186 R HA 0.749 5.087 4.340 -0.003 0.000 0.266 186 R C -0.742 175.568 176.300 0.016 0.000 1.034 186 R CA -1.302 54.827 56.100 0.047 0.000 0.944 186 R CB 1.784 32.112 30.300 0.046 0.000 1.219 186 R HN 0.878 nan 8.270 nan 0.000 0.474 187 A N 2.220 125.046 122.820 0.009 0.000 2.500 187 A HA 0.095 4.413 4.320 -0.003 0.000 0.285 187 A C 0.097 177.678 177.584 -0.004 0.000 1.183 187 A CA 0.126 52.164 52.037 0.001 0.000 0.851 187 A CB -0.630 18.371 19.000 0.001 0.000 1.091 187 A HN 0.847 nan 8.150 nan 0.000 0.521 188 N N 0.520 119.214 118.700 -0.010 0.000 2.921 188 N HA -0.132 4.606 4.740 -0.003 0.000 0.248 188 N C -0.411 175.088 175.510 -0.019 0.000 1.118 188 N CA 1.455 54.496 53.050 -0.015 0.000 0.740 188 N CB -1.177 37.303 38.487 -0.011 0.000 1.091 188 N HN 0.984 nan 8.380 nan 0.000 0.553 189 E N 0.219 120.404 120.200 -0.024 0.000 2.597 189 E HA 0.248 4.596 4.350 -0.003 0.000 0.310 189 E C -1.450 175.114 176.600 -0.060 0.000 0.970 189 E CA -0.396 55.983 56.400 -0.035 0.000 0.819 189 E CB 1.071 30.759 29.700 -0.021 0.000 1.267 189 E HN 0.196 nan 8.360 nan 0.000 0.411 190 S N 4.508 120.157 115.700 -0.086 0.000 2.605 190 S HA 0.780 5.248 4.470 -0.003 0.000 0.308 190 S C -0.396 174.151 174.600 -0.089 0.000 1.113 190 S CA -0.661 57.465 58.200 -0.124 0.000 1.049 190 S CB 0.732 63.842 63.200 -0.149 0.000 1.001 190 S HN 0.433 nan 8.310 nan 0.000 0.480 191 I N 1.904 122.231 120.570 -0.406 0.000 3.042 191 I HA 0.524 4.692 4.170 -0.003 0.000 0.310 191 I C 0.245 175.807 176.117 -0.925 0.000 1.117 191 I CA -1.068 59.922 61.300 -0.518 0.000 1.003 191 I CB 2.709 40.365 38.000 -0.573 0.000 1.228 191 I HN 0.785 nan 8.210 nan 0.000 0.443 192 T N -1.188 112.879 114.554 -0.811 0.000 2.922 192 T HA 0.365 4.713 4.350 -0.003 0.000 0.285 192 T C 0.763 175.412 174.700 -0.086 0.000 1.005 192 T CA -0.223 61.478 62.100 -0.666 0.000 1.061 192 T CB 1.023 69.514 68.868 -0.628 0.000 1.007 192 T HN 0.399 nan 8.240 nan 0.000 0.502 193 Y N 1.302 121.685 120.300 0.139 0.000 2.036 193 Y HA -0.146 4.402 4.550 -0.004 0.000 0.273 193 Y C 2.882 179.007 175.900 0.375 0.000 1.135 193 Y CA 1.965 60.314 58.100 0.414 0.000 1.106 193 Y CB -0.711 37.968 38.460 0.365 0.000 0.976 193 Y HN 0.726 nan 8.280 nan 0.000 0.483 194 M N 0.311 120.156 119.600 0.408 0.000 2.147 194 M HA -0.405 4.073 4.480 -0.003 0.000 0.253 194 M C 2.453 178.892 176.300 0.232 0.000 1.075 194 M CA 2.348 57.813 55.300 0.275 0.000 1.085 194 M CB -0.318 32.365 32.600 0.140 0.000 1.305 194 M HN 0.307 nan 8.290 nan 0.000 0.409 195 R N -0.874 119.716 120.500 0.150 0.000 2.080 195 R HA -0.247 4.091 4.340 -0.003 0.000 0.236 195 R C 2.332 178.724 176.300 0.152 0.000 1.137 195 R CA 2.323 58.488 56.100 0.108 0.000 0.943 195 R CB -0.935 29.377 30.300 0.020 0.000 0.846 195 R HN 0.635 nan 8.270 nan 0.000 0.431 196 Y N 0.664 121.006 120.300 0.069 0.000 2.040 196 Y HA -0.338 4.210 4.550 -0.004 0.000 0.275 196 Y C 1.773 177.684 175.900 0.019 0.000 1.171 196 Y CA 1.932 60.048 58.100 0.026 0.000 1.123 196 Y CB -1.219 37.255 38.460 0.024 0.000 0.963 196 Y HN 0.168 nan 8.280 nan 0.000 0.493 197 Y N 0.032 120.114 120.300 -0.364 0.000 2.315 197 Y HA -0.171 4.377 4.550 -0.004 0.000 0.288 197 Y C 2.720 178.499 175.900 -0.202 0.000 1.154 197 Y CA 1.271 59.135 58.100 -0.393 0.000 1.229 197 Y CB -0.804 37.527 38.460 -0.216 0.000 0.980 197 Y HN 0.298 nan 8.280 nan 0.000 0.540 198 A N -0.547 122.298 122.820 0.042 0.000 1.897 198 A HA -0.138 4.180 4.320 -0.003 0.000 0.215 198 A C 2.242 179.817 177.584 -0.015 0.000 1.181 198 A CA 2.034 54.071 52.037 -0.000 0.000 0.620 198 A CB -1.011 18.062 19.000 0.122 0.000 0.821 198 A HN 0.374 nan 8.150 nan 0.000 0.443 199 T N 0.149 114.707 114.554 0.007 0.000 2.732 199 T HA 0.160 4.507 4.350 -0.003 0.000 0.261 199 T C 2.116 176.794 174.700 -0.038 0.000 1.040 199 T CA 1.376 63.485 62.100 0.014 0.000 1.145 199 T CB -0.431 68.478 68.868 0.068 0.000 0.866 199 T HN 0.556 nan 8.240 nan 0.000 0.427 200 A N 2.027 124.781 122.820 -0.111 0.000 2.260 200 A HA -0.033 4.285 4.320 -0.003 0.000 0.208 200 A C 1.915 179.337 177.584 -0.271 0.000 1.588 200 A CA 0.773 52.673 52.037 -0.227 0.000 0.600 200 A CB -1.230 17.542 19.000 -0.381 0.000 1.142 200 A HN 0.576 nan 8.150 nan 0.000 0.494 201 H N 0.340 119.318 119.070 -0.153 0.000 2.539 201 H HA -0.116 4.438 4.556 -0.004 0.000 0.292 201 H C 0.344 175.610 175.328 -0.103 0.000 1.069 201 H CA 1.183 57.176 56.048 -0.091 0.000 1.244 201 H CB -0.373 29.353 29.762 -0.059 0.000 1.365 201 H HN 0.652 nan 8.280 nan 0.000 0.575 202 N N 0.405 119.074 118.700 -0.052 0.000 2.756 202 N HA -0.184 4.554 4.740 -0.003 0.000 0.248 202 N C -0.927 174.427 175.510 -0.260 0.000 1.062 202 N CA 0.402 53.374 53.050 -0.131 0.000 0.696 202 N CB -1.403 37.033 38.487 -0.084 0.000 0.946 202 N HN 0.365 nan 8.380 nan 0.000 0.548 203 I N 1.244 121.672 120.570 -0.237 0.000 2.474 203 I HA 0.254 4.422 4.170 -0.003 0.000 0.294 203 I C 0.048 175.969 176.117 -0.328 0.000 1.005 203 I CA -0.813 60.316 61.300 -0.284 0.000 1.113 203 I CB 1.645 39.564 38.000 -0.134 0.000 1.289 203 I HN 0.048 nan 8.210 nan 0.000 0.436 204 H N 6.574 125.639 119.070 -0.008 0.000 2.685 204 H HA 0.402 4.956 4.556 -0.003 0.000 0.286 204 H C -0.184 175.126 175.328 -0.031 0.000 1.102 204 H CA -0.564 55.479 56.048 -0.007 0.000 1.254 204 H CB 0.808 30.567 29.762 -0.005 0.000 1.397 204 H HN 0.363 nan 8.280 nan 0.000 0.473 205 L N 2.309 123.569 121.223 0.061 0.000 2.506 205 L HA 0.045 4.383 4.340 -0.003 0.000 0.281 205 L C 1.705 178.584 176.870 0.015 0.000 1.228 205 L CA 0.344 55.182 54.840 -0.004 0.000 0.850 205 L CB 0.877 42.929 42.059 -0.011 0.000 1.110 205 L HN 0.519 nan 8.230 nan 0.000 0.496 206 R N 1.608 122.099 120.500 -0.014 0.000 2.194 206 R HA 0.192 4.530 4.340 -0.003 0.000 0.194 206 R C 0.861 177.151 176.300 -0.017 0.000 0.985 206 R CA 0.570 56.664 56.100 -0.010 0.000 1.104 206 R CB 0.256 30.547 30.300 -0.015 0.000 1.092 206 R HN 0.724 nan 8.270 nan 0.000 0.555 207 A N 1.026 123.827 122.820 -0.031 0.000 3.105 207 A HA 0.381 4.699 4.320 -0.003 0.000 0.272 207 A C 1.341 178.907 177.584 -0.030 0.000 1.466 207 A CA 0.213 52.231 52.037 -0.031 0.000 1.101 207 A CB -0.217 18.758 19.000 -0.041 0.000 1.065 207 A HN 0.352 nan 8.150 nan 0.000 0.643 208 A N 0.858 123.668 122.820 -0.017 0.000 2.032 208 A HA -0.211 4.106 4.320 -0.003 0.000 0.221 208 A C 1.512 179.089 177.584 -0.013 0.000 1.165 208 A CA 1.916 53.949 52.037 -0.006 0.000 0.645 208 A CB -0.505 18.504 19.000 0.014 0.000 0.807 208 A HN 0.751 nan 8.150 nan 0.000 0.453 209 D N -1.228 119.163 120.400 -0.015 0.000 2.349 209 D HA 0.183 4.821 4.640 -0.003 0.000 0.224 209 D C 0.434 176.719 176.300 -0.025 0.000 1.029 209 D CA -0.141 53.850 54.000 -0.016 0.000 0.879 209 D CB -0.300 40.493 40.800 -0.010 0.000 0.906 209 D HN 0.411 nan 8.370 nan 0.000 0.528 210 L N 0.480 121.684 121.223 -0.033 0.000 2.426 210 L HA 0.287 4.625 4.340 -0.003 0.000 0.271 210 L C -2.051 174.792 176.870 -0.046 0.000 1.169 210 L CA -2.085 52.733 54.840 -0.037 0.000 0.836 210 L CB 0.715 42.748 42.059 -0.044 0.000 1.112 210 L HN -0.184 nan 8.230 nan 0.000 0.465 211 P HA 0.060 nan 4.420 nan 0.000 0.265 211 P C -0.174 177.104 177.300 -0.036 0.000 1.222 211 P CA -0.023 63.057 63.100 -0.033 0.000 0.767 211 P CB 0.323 32.015 31.700 -0.014 0.000 0.801 212 L N 2.812 124.002 121.223 -0.055 0.000 2.473 212 L HA 0.037 4.375 4.340 -0.003 0.000 0.280 212 L C 0.491 177.383 176.870 0.037 0.000 1.266 212 L CA 0.314 55.132 54.840 -0.037 0.000 0.824 212 L CB 0.034 42.041 42.059 -0.086 0.000 1.091 212 L HN 0.127 nan 8.230 nan 0.000 0.534 213 V N 0.366 120.302 119.914 0.037 0.000 2.495 213 V HA 0.550 4.668 4.120 -0.003 0.000 0.298 213 V C 0.075 176.128 176.094 -0.068 0.000 1.031 213 V CA -0.665 61.630 62.300 -0.009 0.000 0.871 213 V CB 1.561 33.344 31.823 -0.067 0.000 0.988 213 V HN 0.804 nan 8.190 nan 0.000 0.432 214 A N 3.796 126.527 122.820 -0.147 0.000 2.316 214 A HA 0.914 5.232 4.320 -0.003 0.000 0.324 214 A C 0.018 177.457 177.584 -0.241 0.000 1.375 214 A CA -0.034 51.750 52.037 -0.422 0.000 0.882 214 A CB 0.530 19.278 19.000 -0.420 0.000 1.152 214 A HN 1.348 nan 8.150 nan 0.000 0.512 215 A N 1.809 124.501 122.820 -0.214 0.000 2.527 215 A HA 0.782 5.100 4.320 -0.003 0.000 0.293 215 A C -0.956 176.638 177.584 0.016 0.000 1.117 215 A CA -0.523 51.475 52.037 -0.065 0.000 0.723 215 A CB 1.332 20.327 19.000 -0.007 0.000 1.313 215 A HN 1.005 nan 8.150 nan 0.000 0.411 216 V N 1.250 121.205 119.914 0.068 0.000 2.370 216 V HA 0.432 4.550 4.120 -0.003 0.000 0.279 216 V C 0.563 176.726 176.094 0.115 0.000 1.029 216 V CA -0.599 61.753 62.300 0.086 0.000 0.870 216 V CB 1.103 32.949 31.823 0.039 0.000 0.984 216 V HN 0.925 nan 8.190 nan 0.000 0.451 217 R N 2.985 123.535 120.500 0.083 0.000 2.502 217 R HA 0.064 4.401 4.340 -0.003 0.000 0.292 217 R C 1.163 177.370 176.300 -0.154 0.000 0.998 217 R CA -0.180 55.775 56.100 -0.242 0.000 1.056 217 R CB 0.195 30.329 30.300 -0.277 0.000 0.939 217 R HN 0.687 nan 8.270 nan 0.000 0.411 218 L N 4.257 125.369 121.223 -0.186 0.000 2.103 218 L HA -0.318 4.020 4.340 -0.003 0.000 0.215 218 L C 0.965 177.794 176.870 -0.067 0.000 1.080 218 L CA 2.081 56.869 54.840 -0.086 0.000 0.764 218 L CB -0.401 41.613 42.059 -0.076 0.000 0.890 218 L HN 0.813 nan 8.230 nan 0.000 0.435 219 D N -0.354 119.988 120.400 -0.096 0.000 2.077 219 D HA -0.203 4.435 4.640 -0.003 0.000 0.193 219 D C 1.726 178.009 176.300 -0.027 0.000 0.989 219 D CA 1.755 55.715 54.000 -0.066 0.000 0.831 219 D CB -0.557 40.200 40.800 -0.073 0.000 0.979 219 D HN 0.442 nan 8.370 nan 0.000 0.449 220 D N 0.748 121.142 120.400 -0.010 0.000 2.133 220 D HA -0.161 4.477 4.640 -0.003 0.000 0.195 220 D C 2.181 178.550 176.300 0.115 0.000 0.997 220 D CA 0.433 54.462 54.000 0.048 0.000 0.840 220 D CB -0.343 40.483 40.800 0.043 0.000 0.947 220 D HN 0.105 nan 8.370 nan 0.000 0.452 221 L N 0.918 122.192 121.223 0.084 0.000 2.549 221 L HA -0.127 4.210 4.340 -0.003 0.000 0.230 221 L C 1.415 178.301 176.870 0.027 0.000 1.162 221 L CA 1.001 55.917 54.840 0.127 0.000 0.834 221 L CB -0.438 41.659 42.059 0.064 0.000 0.947 221 L HN -0.158 nan 8.230 nan 0.000 0.452 222 K N 0.337 120.716 120.400 -0.036 0.000 2.389 222 K HA -0.346 3.972 4.320 -0.003 0.000 0.213 222 K C 1.396 177.919 176.600 -0.129 0.000 0.693 222 K CA 2.795 59.015 56.287 -0.112 0.000 1.077 222 K CB -0.958 31.423 32.500 -0.197 0.000 0.677 222 K HN 0.714 nan 8.250 nan 0.000 0.793 223 D N -1.246 118.994 120.400 -0.267 0.000 2.514 223 D HA -0.020 4.618 4.640 -0.003 0.000 0.225 223 D C -0.345 175.881 176.300 -0.124 0.000 1.159 223 D CA -0.134 53.767 54.000 -0.164 0.000 0.823 223 D CB -0.195 40.519 40.800 -0.143 0.000 1.097 223 D HN 0.360 nan 8.370 nan 0.000 0.519 224 H N 1.764 120.840 119.070 0.010 0.000 3.038 224 H HA 0.094 4.648 4.556 -0.003 0.000 0.338 224 H C 0.653 175.985 175.328 0.008 0.000 1.041 224 H CA 0.568 56.622 56.048 0.010 0.000 1.394 224 H CB 0.525 30.294 29.762 0.010 0.000 1.357 224 H HN 0.243 nan 8.280 nan 0.000 0.600 225 Q N 1.310 121.190 119.800 0.134 0.000 2.316 225 Q HA 0.447 4.785 4.340 -0.003 0.000 0.215 225 Q C -0.322 175.721 176.000 0.071 0.000 1.020 225 Q CA -0.656 55.192 55.803 0.075 0.000 0.970 225 Q CB 0.563 29.336 28.738 0.058 0.000 1.187 225 Q HN 0.392 nan 8.270 nan 0.000 0.546 226 I N 1.508 122.108 120.570 0.049 0.000 2.321 226 I HA 0.345 4.513 4.170 -0.003 0.000 0.291 226 I C -1.978 174.201 176.117 0.103 0.000 0.998 226 I CA -1.973 59.355 61.300 0.046 0.000 1.227 226 I CB 0.553 38.534 38.000 -0.031 0.000 1.368 226 I HN 0.550 nan 8.210 nan 0.000 0.466 227 P HA 0.268 nan 4.420 nan 0.000 0.281 227 P C -0.551 176.856 177.300 0.180 0.000 1.274 227 P CA -0.423 62.749 63.100 0.119 0.000 0.794 227 P CB 0.386 32.141 31.700 0.092 0.000 1.201 228 A N -0.051 122.807 122.820 0.064 0.000 2.239 228 A HA 0.481 4.799 4.320 -0.003 0.000 0.303 228 A C -2.171 175.282 177.584 -0.219 0.000 1.114 228 A CA -1.524 50.487 52.037 -0.044 0.000 0.871 228 A CB -1.166 17.811 19.000 -0.039 0.000 1.201 228 A HN 0.366 nan 8.150 nan 0.000 0.506 229 P HA 0.128 nan 4.420 nan 0.000 0.231 229 P C 0.636 177.849 177.300 -0.146 0.000 1.210 229 P CA 1.990 64.862 63.100 -0.380 0.000 1.332 229 P CB -0.551 30.991 31.700 -0.264 0.000 1.594 230 G N 2.580 111.336 108.800 -0.074 0.000 2.341 230 G HA2 -0.293 3.665 3.960 -0.003 0.000 0.292 230 G HA3 -0.293 3.665 3.960 -0.003 0.000 0.292 230 G C 0.605 175.500 174.900 -0.009 0.000 1.021 230 G CA 0.266 45.361 45.100 -0.008 0.000 0.905 230 G HN 0.620 nan 8.290 nan 0.000 0.508 234 D N 0.558 120.962 120.400 0.006 0.000 1.658 234 D HA 0.060 4.698 4.640 -0.003 0.000 0.319 234 D C 0.703 176.984 176.300 -0.033 0.000 1.076 234 D CA 0.241 54.231 54.000 -0.016 0.000 0.860 234 D CB 0.262 41.045 40.800 -0.029 0.000 1.368 234 D HN 0.233 nan 8.370 nan 0.000 0.468 235 L N 1.393 122.571 121.223 -0.075 0.000 2.597 235 L HA 0.027 4.365 4.340 -0.003 0.000 0.271 235 L C 1.145 177.992 176.870 -0.039 0.000 1.157 235 L CA -0.409 54.379 54.840 -0.086 0.000 0.928 235 L CB 0.833 42.782 42.059 -0.184 0.000 1.216 235 L HN 0.245 nan 8.230 nan 0.000 0.481 236 A N 5.815 128.629 122.820 -0.011 0.000 2.095 236 A HA 0.127 4.445 4.320 -0.003 0.000 0.212 236 A C -0.238 177.364 177.584 0.031 0.000 1.162 236 A CA 0.184 52.233 52.037 0.021 0.000 0.753 236 A CB -0.794 18.230 19.000 0.039 0.000 0.840 236 A HN 0.704 nan 8.150 nan 0.000 0.468 237 P HA 0.104 nan 4.420 nan 0.000 0.253 237 P C 0.214 177.525 177.300 0.019 0.000 1.281 237 P CA 0.682 63.794 63.100 0.021 0.000 0.792 237 P CB 0.182 31.890 31.700 0.012 0.000 1.193 238 K N -1.328 119.081 120.400 0.014 0.000 2.544 238 K HA 0.137 4.455 4.320 -0.003 0.000 0.213 238 K C 0.503 177.117 176.600 0.023 0.000 1.392 238 K CA -0.522 55.776 56.287 0.020 0.000 0.980 238 K CB 0.182 32.691 32.500 0.015 0.000 1.177 238 K HN -0.012 nan 8.250 nan 0.000 0.570 239 L N 2.782 124.008 121.223 0.006 0.000 2.559 239 L HA -0.010 4.327 4.340 -0.003 0.000 0.282 239 L C -0.339 176.505 176.870 -0.044 0.000 1.232 239 L CA 1.068 55.879 54.840 -0.047 0.000 0.885 239 L CB 0.136 42.148 42.059 -0.079 0.000 1.131 239 L HN 0.063 nan 8.230 nan 0.000 0.498 240 R N 3.587 124.006 120.500 -0.134 0.000 2.855 240 R HA 0.619 4.957 4.340 -0.003 0.000 0.266 240 R C -1.547 174.595 176.300 -0.263 0.000 1.034 240 R CA -0.764 55.318 56.100 -0.031 0.000 0.944 240 R CB 1.478 31.835 30.300 0.095 0.000 1.219 240 R HN 0.392 nan 8.270 nan 0.000 0.474 241 F N 1.815 121.841 119.950 0.126 0.000 2.520 241 F HA 0.557 5.082 4.527 -0.003 0.000 0.322 241 F C -0.289 175.597 175.800 0.144 0.000 1.103 241 F CA -0.929 57.139 58.000 0.113 0.000 0.926 241 F CB 1.600 40.678 39.000 0.131 0.000 1.154 241 F HN 0.236 nan 8.300 nan 0.000 0.453 242 L N 0.396 121.705 121.223 0.143 0.000 2.424 242 L HA 0.797 5.135 4.340 -0.003 0.000 0.258 242 L C -3.120 173.729 176.870 -0.036 0.000 0.995 242 L CA -2.752 52.136 54.840 0.080 0.000 0.821 242 L CB 2.060 44.050 42.059 -0.115 0.000 1.383 242 L HN 0.177 nan 8.230 nan 0.000 0.410 243 P HA 0.160 nan 4.420 nan 0.000 0.262 243 P C -2.138 175.072 177.300 -0.150 0.000 1.199 243 P CA -0.817 62.201 63.100 -0.136 0.000 0.763 243 P CB 0.298 31.872 31.700 -0.211 0.000 0.790 244 P HA -0.232 nan 4.420 nan 0.000 0.219 244 P C 1.122 178.352 177.300 -0.115 0.000 1.144 244 P CA 1.381 64.421 63.100 -0.099 0.000 0.806 244 P CB -0.164 31.495 31.700 -0.068 0.000 0.771 245 E N -0.398 119.723 120.200 -0.131 0.000 2.170 245 E HA -0.051 4.297 4.350 -0.003 0.000 0.191 245 E C 1.605 178.096 176.600 -0.181 0.000 0.981 245 E CA 0.596 56.914 56.400 -0.136 0.000 0.830 245 E CB -0.998 28.628 29.700 -0.122 0.000 0.775 245 E HN 0.237 nan 8.360 nan 0.000 0.470 246 L N 0.999 122.080 121.223 -0.237 0.000 2.554 246 L HA 0.126 4.464 4.340 -0.003 0.000 0.226 246 L C 0.342 177.052 176.870 -0.267 0.000 1.137 246 L CA -0.387 54.278 54.840 -0.292 0.000 0.863 246 L CB 0.214 42.028 42.059 -0.409 0.000 0.985 246 L HN 0.200 nan 8.230 nan 0.000 0.451 247 C N 1.074 120.245 119.300 -0.215 0.000 2.307 247 C HA 0.375 4.833 4.460 -0.003 0.000 0.340 247 C C 0.412 175.308 174.990 -0.155 0.000 1.275 247 C CA -0.874 58.033 59.018 -0.184 0.000 1.811 247 C CB 0.538 28.189 27.740 -0.149 0.000 2.372 247 C HN 0.203 nan 8.230 nan 0.000 0.531 248 L N 5.332 126.456 121.223 -0.164 0.000 2.313 248 L HA 0.461 4.799 4.340 -0.003 0.000 0.273 248 L C -0.268 176.558 176.870 -0.074 0.000 1.028 248 L CA -0.416 54.344 54.840 -0.134 0.000 0.871 248 L CB 0.360 42.297 42.059 -0.203 0.000 1.242 248 L HN 0.756 nan 8.230 nan 0.000 0.434 249 L N 5.184 126.380 121.223 -0.044 0.000 2.513 249 L HA 0.151 4.489 4.340 -0.003 0.000 0.272 249 L C -0.434 176.441 176.870 0.008 0.000 1.187 249 L CA -0.003 54.831 54.840 -0.009 0.000 0.895 249 L CB 0.415 42.473 42.059 -0.001 0.000 1.147 249 L HN 0.589 nan 8.230 nan 0.000 0.483 250 L N 7.994 129.236 121.223 0.031 0.000 2.380 250 L HA 0.349 4.687 4.340 -0.003 0.000 0.273 250 L C -1.696 175.235 176.870 0.102 0.000 1.138 250 L CA -1.944 52.919 54.840 0.038 0.000 0.832 250 L CB 0.410 42.510 42.059 0.067 0.000 1.124 250 L HN 0.551 nan 8.230 nan 0.000 0.454 251 P HA -0.076 nan 4.420 nan 0.000 0.270 251 P C -0.129 177.306 177.300 0.225 0.000 1.216 251 P CA -0.190 63.024 63.100 0.189 0.000 0.788 251 P CB 0.708 32.554 31.700 0.243 0.000 0.883 252 D N 1.445 121.933 120.400 0.147 0.000 2.160 252 D HA -0.223 4.415 4.640 -0.003 0.000 0.189 252 D C 1.697 178.060 176.300 0.105 0.000 1.003 252 D CA 1.658 55.720 54.000 0.103 0.000 0.846 252 D CB -0.499 40.339 40.800 0.063 0.000 0.949 252 D HN 0.566 nan 8.370 nan 0.000 0.446 253 E N 0.003 120.261 120.200 0.096 0.000 2.119 253 E HA -0.221 4.127 4.350 -0.003 0.000 0.221 253 E C 0.525 177.044 176.600 -0.134 0.000 1.062 253 E CA 0.999 57.361 56.400 -0.063 0.000 0.894 253 E CB -0.407 29.204 29.700 -0.149 0.000 0.785 253 E HN 0.267 nan 8.360 nan 0.000 0.472 254 F N 2.019 122.003 119.950 0.057 0.000 2.512 254 F HA 0.032 4.557 4.527 -0.004 0.000 0.350 254 F C 0.959 176.791 175.800 0.054 0.000 1.212 254 F CA -0.175 57.868 58.000 0.071 0.000 1.099 254 F CB -0.138 38.919 39.000 0.095 0.000 1.238 254 F HN 0.058 nan 8.300 nan 0.000 0.600 255 D N 2.080 122.553 120.400 0.121 0.000 2.607 255 D HA 0.177 4.814 4.640 -0.003 0.000 0.253 255 D C 1.060 177.411 176.300 0.085 0.000 1.171 255 D CA -0.456 53.596 54.000 0.086 0.000 1.084 255 D CB 0.390 41.208 40.800 0.029 0.000 1.203 255 D HN 0.302 nan 8.370 nan 0.000 0.629 256 L N 0.049 121.302 121.223 0.049 0.000 1.960 256 L HA -0.028 4.310 4.340 -0.003 0.000 0.209 256 L C 2.291 179.189 176.870 0.046 0.000 1.090 256 L CA 1.156 56.024 54.840 0.047 0.000 0.759 256 L CB -0.950 41.122 42.059 0.021 0.000 0.892 256 L HN 0.414 nan 8.230 nan 0.000 0.436 257 I N 0.001 120.579 120.570 0.013 0.000 2.227 257 I HA -0.338 3.830 4.170 -0.003 0.000 0.250 257 I C 2.641 178.775 176.117 0.028 0.000 1.087 257 I CA 1.314 62.612 61.300 -0.004 0.000 1.352 257 I CB -1.820 36.153 38.000 -0.045 0.000 1.043 257 I HN 0.408 nan 8.210 nan 0.000 0.425 258 R N 0.991 121.508 120.500 0.029 0.000 2.124 258 R HA -0.024 4.314 4.340 -0.003 0.000 0.215 258 R C 2.345 178.773 176.300 0.214 0.000 1.145 258 R CA 1.098 57.241 56.100 0.072 0.000 0.898 258 R CB -1.107 29.179 30.300 -0.023 0.000 0.790 258 R HN 0.224 nan 8.270 nan 0.000 0.458 259 V N 2.132 122.174 119.914 0.212 0.000 3.061 259 V HA -0.253 3.865 4.120 -0.003 0.000 0.269 259 V C 2.380 178.588 176.094 0.191 0.000 1.154 259 V CA 1.824 64.269 62.300 0.241 0.000 1.168 259 V CB -0.646 31.314 31.823 0.228 0.000 0.758 259 V HN 0.377 nan 8.190 nan 0.000 0.530 260 Q N 1.069 120.974 119.800 0.175 0.000 1.994 260 Q HA -0.034 4.304 4.340 -0.003 0.000 0.198 260 Q C 2.186 178.365 176.000 0.298 0.000 0.976 260 Q CA 2.194 58.105 55.803 0.180 0.000 0.828 260 Q CB -0.620 28.187 28.738 0.116 0.000 0.894 260 Q HN 0.510 nan 8.270 nan 0.000 0.432 261 A N 0.206 123.175 122.820 0.249 0.000 2.119 261 A HA -0.024 4.294 4.320 -0.003 0.000 0.217 261 A C 1.779 179.499 177.584 0.226 0.000 1.153 261 A CA 0.903 53.084 52.037 0.240 0.000 0.692 261 A CB -0.674 18.394 19.000 0.113 0.000 0.799 261 A HN 0.474 nan 8.150 nan 0.000 0.458 262 L N -0.667 120.673 121.223 0.195 0.000 2.642 262 L HA -0.083 4.255 4.340 -0.003 0.000 0.236 262 L C 1.504 178.334 176.870 -0.067 0.000 1.169 262 L CA 1.411 56.254 54.840 0.005 0.000 0.851 262 L CB -0.395 41.770 42.059 0.176 0.000 0.968 262 L HN 0.356 nan 8.230 nan 0.000 0.453 263 Q N -1.673 118.126 119.800 -0.002 0.000 2.319 263 Q HA 0.134 4.471 4.340 -0.003 0.000 0.202 263 Q C 0.720 176.409 176.000 -0.519 0.000 0.896 263 Q CA 0.438 56.078 55.803 -0.272 0.000 0.942 263 Q CB 0.228 28.741 28.738 -0.375 0.000 1.083 263 Q HN 0.575 nan 8.270 nan 0.000 0.510 264 F N -0.937 118.847 119.950 -0.277 0.000 2.706 264 F HA 0.204 4.728 4.527 -0.004 0.000 0.313 264 F C 1.621 177.176 175.800 -0.408 0.000 1.096 264 F CA -0.192 57.641 58.000 -0.280 0.000 1.219 264 F CB -0.020 38.822 39.000 -0.264 0.000 1.051 264 F HN -0.090 nan 8.300 nan 0.000 0.568 265 L N 0.779 121.721 121.223 -0.469 0.000 2.131 265 L HA -0.107 4.231 4.340 -0.003 0.000 0.210 265 L C -0.541 176.091 176.870 -0.395 0.000 1.092 265 L CA 1.275 55.538 54.840 -0.961 0.000 0.759 265 L CB -1.614 39.567 42.059 -1.462 0.000 0.903 265 L HN 0.062 nan 8.230 nan 0.000 0.435 266 P HA -0.126 nan 4.420 nan 0.000 0.217 266 P C 1.357 178.692 177.300 0.059 0.000 1.151 266 P CA 0.966 64.115 63.100 0.082 0.000 0.828 266 P CB 0.076 31.676 31.700 -0.167 0.000 0.788 267 E N -0.721 119.495 120.200 0.025 0.000 2.268 267 E HA -0.073 4.275 4.350 -0.003 0.000 0.195 267 E C 1.890 178.601 176.600 0.186 0.000 0.995 267 E CA 0.813 57.284 56.400 0.118 0.000 0.836 267 E CB -0.404 29.422 29.700 0.210 0.000 0.763 267 E HN 0.361 nan 8.360 nan 0.000 0.491 268 I N -0.071 120.591 120.570 0.153 0.000 2.585 268 I HA -0.073 4.095 4.170 -0.003 0.000 0.254 268 I C 2.353 178.586 176.117 0.192 0.000 1.129 268 I CA 0.552 62.005 61.300 0.255 0.000 1.455 268 I CB -0.220 37.848 38.000 0.113 0.000 1.111 268 I HN -0.049 nan 8.210 nan 0.000 0.433 269 A N 1.565 124.476 122.820 0.152 0.000 1.858 269 A HA -0.214 4.104 4.320 -0.003 0.000 0.216 269 A C 2.283 179.910 177.584 0.072 0.000 1.190 269 A CA 1.623 53.750 52.037 0.150 0.000 0.617 269 A CB -0.517 18.649 19.000 0.278 0.000 0.827 269 A HN 0.261 nan 8.150 nan 0.000 0.443 270 K N -1.355 119.080 120.400 0.058 0.000 2.127 270 K HA -0.274 4.044 4.320 -0.003 0.000 0.208 270 K C 2.062 178.592 176.600 -0.117 0.000 1.047 270 K CA 1.872 58.136 56.287 -0.039 0.000 0.927 270 K CB -0.414 32.060 32.500 -0.044 0.000 0.716 270 K HN 0.712 nan 8.250 nan 0.000 0.450 271 H N 1.093 120.022 119.070 -0.235 0.000 2.290 271 H HA -0.060 4.494 4.556 -0.003 0.000 0.298 271 H C 1.827 176.956 175.328 -0.332 0.000 1.087 271 H CA 1.834 57.650 56.048 -0.386 0.000 1.291 271 H CB -0.215 29.275 29.762 -0.452 0.000 1.369 271 H HN 0.090 nan 8.280 nan 0.000 0.492 272 I N -0.776 119.658 120.570 -0.227 0.000 2.264 272 I HA -0.347 3.821 4.170 -0.003 0.000 0.248 272 I C 2.881 178.874 176.117 -0.207 0.000 1.111 272 I CA 1.195 62.332 61.300 -0.271 0.000 1.382 272 I CB -0.440 37.467 38.000 -0.156 0.000 1.060 272 I HN 0.462 nan 8.210 nan 0.000 0.418 273 C N 0.731 119.959 119.300 -0.119 0.000 2.446 273 C HA -0.187 4.271 4.460 -0.003 0.000 0.277 273 C C 2.632 177.581 174.990 -0.068 0.000 1.275 273 C CA 1.334 60.339 59.018 -0.022 0.000 1.727 273 C CB -0.859 26.886 27.740 0.009 0.000 2.010 273 C HN 0.528 nan 8.230 nan 0.000 0.486 274 D N 0.603 120.867 120.400 -0.227 0.000 2.120 274 D HA -0.137 4.501 4.640 -0.003 0.000 0.191 274 D C 1.947 178.066 176.300 -0.301 0.000 0.994 274 D CA 1.980 55.826 54.000 -0.257 0.000 0.838 274 D CB -0.553 39.999 40.800 -0.412 0.000 0.976 274 D HN 0.578 nan 8.370 nan 0.000 0.447 275 I N 0.591 120.768 120.570 -0.655 0.000 2.064 275 I HA -0.405 3.763 4.170 -0.003 0.000 0.234 275 I C 2.743 178.715 176.117 -0.241 0.000 1.019 275 I CA 1.726 62.607 61.300 -0.699 0.000 1.301 275 I CB -0.730 36.854 38.000 -0.692 0.000 1.017 275 I HN 0.225 nan 8.210 nan 0.000 0.392 276 Q N 0.164 119.861 119.800 -0.172 0.000 2.142 276 Q HA -0.327 4.011 4.340 -0.003 0.000 0.213 276 Q C 2.103 178.091 176.000 -0.020 0.000 1.004 276 Q CA 2.330 58.090 55.803 -0.071 0.000 0.883 276 Q CB -0.579 28.134 28.738 -0.043 0.000 0.939 276 Q HN 0.544 nan 8.270 nan 0.000 0.413 277 N N -0.221 118.501 118.700 0.036 0.000 2.084 277 N HA -0.137 4.601 4.740 -0.003 0.000 0.190 277 N C 1.588 177.150 175.510 0.087 0.000 1.030 277 N CA 1.968 55.074 53.050 0.093 0.000 0.849 277 N CB -0.164 38.456 38.487 0.222 0.000 1.012 277 N HN 0.170 nan 8.380 nan 0.000 0.423 278 T N 2.619 117.251 114.554 0.130 0.000 2.652 278 T HA -0.108 4.240 4.350 -0.003 0.000 0.267 278 T C 2.026 176.776 174.700 0.084 0.000 1.039 278 T CA 1.162 63.381 62.100 0.199 0.000 1.153 278 T CB -0.135 68.994 68.868 0.435 0.000 0.863 278 T HN 0.141 nan 8.240 nan 0.000 0.428 279 I N 1.916 122.528 120.570 0.071 0.000 2.065 279 I HA -0.171 3.997 4.170 -0.003 0.000 0.236 279 I C 2.049 178.162 176.117 -0.007 0.000 1.028 279 I CA 1.284 62.603 61.300 0.033 0.000 1.299 279 I CB -1.613 36.397 38.000 0.016 0.000 1.015 279 I HN 0.448 nan 8.210 nan 0.000 0.396 280 C N 0.355 119.643 119.300 -0.020 0.000 2.615 280 C HA 0.760 5.218 4.460 -0.003 0.000 0.503 280 C C 1.020 175.985 174.990 -0.041 0.000 1.039 280 C CA -0.037 58.958 59.018 -0.038 0.000 1.226 280 C CB -0.872 26.835 27.740 -0.055 0.000 1.447 280 C HN 0.586 nan 8.230 nan 0.000 0.572 281 A N 2.324 125.110 122.820 -0.056 0.000 2.025 281 A HA 0.297 4.615 4.320 -0.003 0.000 0.162 281 A C 0.816 178.309 177.584 -0.151 0.000 1.995 281 A CA 0.155 52.148 52.037 -0.072 0.000 1.547 281 A CB -0.202 18.778 19.000 -0.033 0.000 1.629 281 A HN 0.596 nan 8.150 nan 0.000 0.309 282 L N -0.158 120.962 121.223 -0.171 0.000 3.360 282 L HA 0.239 4.577 4.340 -0.003 0.000 0.303 282 L C 1.362 178.158 176.870 -0.123 0.000 1.218 282 L CA 0.423 55.118 54.840 -0.241 0.000 1.059 282 L CB 0.858 42.656 42.059 -0.436 0.000 1.468 282 L HN 0.288 nan 8.230 nan 0.000 0.614 283 D N 1.768 122.126 120.400 -0.069 0.000 2.123 283 D HA -0.170 4.468 4.640 -0.003 0.000 0.196 283 D C 1.453 177.754 176.300 0.001 0.000 0.992 283 D CA 1.534 55.525 54.000 -0.014 0.000 0.833 283 D CB 0.420 41.214 40.800 -0.011 0.000 0.954 283 D HN 0.058 nan 8.370 nan 0.000 0.455 284 K N -0.610 119.774 120.400 -0.027 0.000 2.417 284 K HA 0.269 4.587 4.320 -0.003 0.000 0.196 284 K C 1.133 177.712 176.600 -0.035 0.000 1.023 284 K CA 0.013 56.283 56.287 -0.028 0.000 1.122 284 K CB 0.623 33.101 32.500 -0.035 0.000 0.850 284 K HN -0.113 nan 8.250 nan 0.000 0.521 285 S N -0.191 115.486 115.700 -0.037 0.000 2.559 285 S HA 0.266 4.734 4.470 -0.003 0.000 0.226 285 S C -0.671 173.945 174.600 0.027 0.000 1.000 285 S CA -0.496 57.673 58.200 -0.052 0.000 0.948 285 S CB 0.078 63.194 63.200 -0.140 0.000 0.870 285 S HN 0.278 nan 8.310 nan 0.000 0.497 286 F N 2.695 122.564 119.950 -0.135 0.000 2.540 286 F HA 0.519 5.044 4.527 -0.004 0.000 0.317 286 F C -2.903 172.839 175.800 -0.096 0.000 1.104 286 F CA -2.518 55.405 58.000 -0.128 0.000 0.913 286 F CB 1.039 39.944 39.000 -0.158 0.000 1.170 286 F HN -0.183 nan 8.300 nan 0.000 0.450 287 P HA -0.082 nan 4.420 nan 0.000 0.257 287 P C -0.985 176.091 177.300 -0.375 0.000 1.162 287 P CA 0.480 63.265 63.100 -0.525 0.000 0.762 287 P CB 0.249 31.453 31.700 -0.828 0.000 0.753 288 D N 2.554 122.861 120.400 -0.156 0.000 2.417 288 D HA -0.022 4.616 4.640 -0.003 0.000 0.250 288 D C 0.860 177.108 176.300 -0.088 0.000 1.166 288 D CA -0.269 53.690 54.000 -0.068 0.000 0.881 288 D CB 0.413 41.193 40.800 -0.033 0.000 1.164 288 D HN 0.437 nan 8.370 nan 0.000 0.467 289 C N 1.804 121.083 119.300 -0.034 0.000 2.791 289 C HA 0.637 5.095 4.460 -0.003 0.000 0.288 289 C C 1.672 176.664 174.990 0.003 0.000 1.271 289 C CA 0.442 59.442 59.018 -0.029 0.000 1.726 289 C CB -0.486 27.262 27.740 0.013 0.000 2.145 289 C HN 0.740 nan 8.230 nan 0.000 0.572 290 G N 0.936 109.745 108.800 0.014 0.000 2.307 290 G HA2 -0.130 3.828 3.960 -0.003 0.000 0.210 290 G HA3 -0.130 3.828 3.960 -0.003 0.000 0.210 290 G C 0.270 175.189 174.900 0.030 0.000 1.005 290 G CA -0.150 44.961 45.100 0.018 0.000 0.634 290 G HN 0.638 nan 8.290 nan 0.000 0.496 291 R N 0.467 120.994 120.500 0.045 0.000 2.774 291 R HA 0.566 4.904 4.340 -0.003 0.000 0.269 291 R C 0.361 176.696 176.300 0.059 0.000 1.068 291 R CA 0.897 57.034 56.100 0.061 0.000 1.180 291 R CB 0.333 30.683 30.300 0.083 0.000 1.077 291 R HN 0.753 nan 8.270 nan 0.000 0.513 292 I N -3.965 116.645 120.570 0.066 0.000 3.093 292 I HA 0.625 4.793 4.170 -0.003 0.000 0.308 292 I C 0.437 176.598 176.117 0.074 0.000 1.303 292 I CA -0.376 60.961 61.300 0.061 0.000 0.975 292 I CB 1.408 39.435 38.000 0.045 0.000 1.286 292 I HN 0.740 nan 8.210 nan 0.000 0.459 293 G N 1.750 110.588 108.800 0.065 0.000 2.583 293 G HA2 -0.145 3.813 3.960 -0.003 0.000 0.292 293 G HA3 -0.145 3.813 3.960 -0.003 0.000 0.292 293 G C 0.831 175.776 174.900 0.074 0.000 1.203 293 G CA 1.063 46.196 45.100 0.054 0.000 0.987 293 G HN 1.804 nan 8.290 nan 0.000 0.554 294 G N -0.509 108.325 108.800 0.057 0.000 2.422 294 G HA2 0.014 3.971 3.960 -0.003 0.000 0.218 294 G HA3 0.014 3.971 3.960 -0.003 0.000 0.218 294 G C 1.532 176.563 174.900 0.217 0.000 1.146 294 G CA 1.702 46.862 45.100 0.100 0.000 0.769 294 G HN 0.781 nan 8.290 nan 0.000 0.547 295 E N -0.269 120.035 120.200 0.174 0.000 2.107 295 E HA -0.074 4.274 4.350 -0.003 0.000 0.191 295 E C 2.575 179.289 176.600 0.190 0.000 0.982 295 E CA 0.579 57.102 56.400 0.205 0.000 0.809 295 E CB -0.013 29.784 29.700 0.161 0.000 0.756 295 E HN 0.241 nan 8.360 nan 0.000 0.459 296 R N 0.451 121.039 120.500 0.148 0.000 2.115 296 R HA -0.182 4.156 4.340 -0.003 0.000 0.230 296 R C 2.000 178.367 176.300 0.112 0.000 1.111 296 R CA 1.215 57.382 56.100 0.112 0.000 0.976 296 R CB -0.688 29.667 30.300 0.093 0.000 0.870 296 R HN 0.260 nan 8.270 nan 0.000 0.445 297 Y N 0.076 120.409 120.300 0.056 0.000 2.060 297 Y HA -0.194 4.354 4.550 -0.004 0.000 0.276 297 Y C 1.831 177.794 175.900 0.105 0.000 1.127 297 Y CA 1.941 60.075 58.100 0.056 0.000 1.104 297 Y CB -1.267 37.209 38.460 0.028 0.000 0.983 297 Y HN 0.107 nan 8.280 nan 0.000 0.483 298 F N 1.263 120.955 119.950 -0.431 0.000 2.184 298 F HA -0.262 4.262 4.527 -0.004 0.000 0.301 298 F C 2.221 177.878 175.800 -0.238 0.000 1.076 298 F CA 1.681 59.406 58.000 -0.459 0.000 1.295 298 F CB -0.974 37.969 39.000 -0.094 0.000 1.026 298 F HN 0.196 nan 8.300 nan 0.000 0.494 299 A N 0.399 123.083 122.820 -0.226 0.000 1.930 299 A HA -0.110 4.208 4.320 -0.003 0.000 0.217 299 A C 2.389 179.747 177.584 -0.375 0.000 1.175 299 A CA 1.774 53.656 52.037 -0.258 0.000 0.627 299 A CB -1.006 17.976 19.000 -0.030 0.000 0.815 299 A HN 0.492 nan 8.150 nan 0.000 0.443 300 I N -0.629 119.698 120.570 -0.405 0.000 2.406 300 I HA -0.165 4.003 4.170 -0.003 0.000 0.249 300 I C 2.473 178.378 176.117 -0.352 0.000 1.122 300 I CA 1.525 62.455 61.300 -0.616 0.000 1.431 300 I CB -0.473 37.272 38.000 -0.426 0.000 1.087 300 I HN 0.267 nan 8.210 nan 0.000 0.424 301 T N 1.007 115.403 114.554 -0.263 0.000 2.674 301 T HA -0.157 4.191 4.350 -0.003 0.000 0.265 301 T C 2.084 176.711 174.700 -0.121 0.000 1.039 301 T CA 1.496 63.517 62.100 -0.131 0.000 1.150 301 T CB -0.360 68.217 68.868 -0.486 0.000 0.864 301 T HN 0.447 nan 8.240 nan 0.000 0.427 302 A N 1.265 123.907 122.820 -0.296 0.000 1.940 302 A HA 0.090 4.408 4.320 -0.003 0.000 0.219 302 A C 2.545 180.188 177.584 0.098 0.000 1.176 302 A CA 1.834 53.803 52.037 -0.115 0.000 0.631 302 A CB -1.175 17.566 19.000 -0.432 0.000 0.814 302 A HN 0.536 nan 8.150 nan 0.000 0.446 303 G N -1.346 107.419 108.800 -0.058 0.000 2.551 303 G HA2 0.196 4.154 3.960 -0.003 0.000 0.216 303 G HA3 0.196 4.154 3.960 -0.003 0.000 0.216 303 G C 1.322 176.286 174.900 0.107 0.000 1.137 303 G CA 0.705 45.841 45.100 0.059 0.000 0.798 303 G HN 0.422 nan 8.290 nan 0.000 0.536 304 L N -0.764 120.467 121.223 0.013 0.000 2.642 304 L HA 0.365 4.703 4.340 -0.003 0.000 0.233 304 L C 0.805 177.820 176.870 0.241 0.000 1.077 304 L CA -0.174 54.720 54.840 0.091 0.000 0.879 304 L CB 0.451 42.467 42.059 -0.071 0.000 1.151 304 L HN -0.133 nan 8.230 nan 0.000 0.495 305 R N 1.793 122.434 120.500 0.236 0.000 3.171 305 R HA 0.276 4.614 4.340 -0.003 0.000 0.241 305 R C 0.895 177.311 176.300 0.194 0.000 1.421 305 R CA -0.093 56.115 56.100 0.180 0.000 1.444 305 R CB 0.228 30.535 30.300 0.011 0.000 1.247 305 R HN 0.290 nan 8.270 nan 0.000 0.636 306 L N 0.079 121.365 121.223 0.104 0.000 2.362 306 L HA -0.098 4.239 4.340 -0.003 0.000 0.219 306 L C 0.987 177.849 176.870 -0.014 0.000 1.134 306 L CA 1.038 55.865 54.840 -0.021 0.000 0.807 306 L CB -0.386 41.649 42.059 -0.040 0.000 0.927 306 L HN 0.352 nan 8.230 nan 0.000 0.447 307 D N -0.064 120.377 120.400 0.068 0.000 2.272 307 D HA 0.228 4.866 4.640 -0.003 0.000 0.247 307 D C -0.338 176.053 176.300 0.152 0.000 0.990 307 D CA -0.690 53.351 54.000 0.067 0.000 0.931 307 D CB 1.172 42.010 40.800 0.063 0.000 1.195 307 D HN 0.160 nan 8.370 nan 0.000 0.477 308 Q N 0.330 120.194 119.800 0.108 0.000 2.396 308 Q HA 0.467 4.805 4.340 -0.003 0.000 0.221 308 Q C 0.711 176.798 176.000 0.144 0.000 1.025 308 Q CA -1.050 54.854 55.803 0.167 0.000 0.946 308 Q CB 0.260 29.047 28.738 0.083 0.000 1.224 308 Q HN 0.541 nan 8.270 nan 0.000 0.539 309 G N 0.362 109.258 108.800 0.159 0.000 2.690 309 G HA2 0.051 4.009 3.960 -0.003 0.000 0.239 309 G HA3 0.051 4.009 3.960 -0.003 0.000 0.239 309 G C -0.726 174.196 174.900 0.038 0.000 1.233 309 G CA -0.579 44.566 45.100 0.076 0.000 0.847 309 G HN 0.617 nan 8.290 nan 0.000 0.588 310 R N 1.072 121.569 120.500 -0.004 0.000 2.346 310 R HA 0.448 4.786 4.340 -0.003 0.000 0.309 310 R C 1.445 177.711 176.300 -0.057 0.000 1.119 310 R CA 0.593 56.678 56.100 -0.026 0.000 1.112 310 R CB -0.228 30.047 30.300 -0.041 0.000 1.132 310 R HN 0.976 nan 8.270 nan 0.000 0.538 311 G N 4.988 113.770 108.800 -0.029 0.000 3.947 311 G HA2 -0.555 3.403 3.960 -0.003 0.000 0.365 311 G HA3 -0.555 3.403 3.960 -0.003 0.000 0.365 311 G C 1.137 175.999 174.900 -0.063 0.000 1.532 311 G CA 1.077 46.155 45.100 -0.037 0.000 1.426 311 G HN 0.753 nan 8.290 nan 0.000 0.794 312 R N 1.103 121.492 120.500 -0.184 0.000 2.134 312 R HA 0.263 4.601 4.340 -0.003 0.000 0.248 312 R C 1.465 177.678 176.300 -0.146 0.000 1.143 312 R CA 2.277 58.166 56.100 -0.351 0.000 0.957 312 R CB -0.623 29.225 30.300 -0.753 0.000 0.867 312 R HN 2.122 nan 8.270 nan 0.000 0.441 313 G N -1.170 107.571 108.800 -0.098 0.000 2.341 313 G HA2 0.176 4.133 3.960 -0.003 0.000 0.293 313 G HA3 0.176 4.133 3.960 -0.003 0.000 0.293 313 G C -0.592 174.302 174.900 -0.010 0.000 1.298 313 G CA -0.306 44.798 45.100 0.007 0.000 0.868 313 G HN 0.080 nan 8.290 nan 0.000 0.540 314 L N 0.424 121.659 121.223 0.021 0.000 2.071 314 L HA 0.641 4.979 4.340 -0.003 0.000 0.201 314 L C 2.086 178.926 176.870 -0.050 0.000 1.076 314 L CA 2.618 57.443 54.840 -0.026 0.000 0.755 314 L CB -0.387 41.633 42.059 -0.064 0.000 0.915 314 L HN 1.314 nan 8.230 nan 0.000 0.445 315 A N -0.844 121.961 122.820 -0.025 0.000 2.937 315 A HA 0.632 4.950 4.320 -0.003 0.000 0.338 315 A C 0.638 178.221 177.584 -0.001 0.000 1.273 315 A CA 0.136 52.156 52.037 -0.028 0.000 0.937 315 A CB -0.867 18.111 19.000 -0.038 0.000 1.133 315 A HN 0.789 nan 8.150 nan 0.000 0.491 316 G N 0.583 109.381 108.800 -0.004 0.000 2.669 316 G HA2 -0.305 3.653 3.960 -0.003 0.000 0.250 316 G HA3 -0.305 3.653 3.960 -0.003 0.000 0.250 316 G C 0.386 175.268 174.900 -0.029 0.000 1.247 316 G CA 0.390 45.507 45.100 0.028 0.000 0.958 316 G HN 0.689 nan 8.290 nan 0.000 0.559 317 W N 2.709 124.031 121.300 0.036 0.000 3.013 317 W HA 0.371 5.029 4.660 -0.004 0.000 0.280 317 W C 1.818 178.396 176.519 0.099 0.000 1.249 317 W CA 0.411 57.794 57.345 0.062 0.000 1.577 317 W CB 0.130 29.628 29.460 0.063 0.000 1.057 317 W HN 0.686 nan 8.180 nan 0.000 0.613 318 R N 0.367 121.052 120.500 0.307 0.000 2.459 318 R HA 0.644 4.982 4.340 -0.003 0.000 0.281 318 R C -0.511 175.914 176.300 0.208 0.000 1.050 318 R CA -0.091 56.185 56.100 0.293 0.000 1.055 318 R CB 0.665 31.068 30.300 0.173 0.000 1.045 318 R HN -0.261 nan 8.270 nan 0.000 0.495 319 T N 3.613 118.340 114.554 0.287 0.000 2.985 319 T HA 0.305 4.653 4.350 -0.003 0.000 0.315 319 T C -2.658 172.244 174.700 0.338 0.000 1.001 319 T CA -1.405 60.843 62.100 0.246 0.000 1.016 319 T CB 1.850 70.859 68.868 0.235 0.000 0.993 319 T HN 0.481 nan 8.240 nan 0.000 0.454 320 P HA 0.376 nan 4.420 nan 0.000 0.271 320 P C -0.889 176.540 177.300 0.214 0.000 1.216 320 P CA -0.428 62.806 63.100 0.223 0.000 0.771 320 P CB 0.110 32.010 31.700 0.334 0.000 0.864 321 F N 0.209 120.187 119.950 0.047 0.000 2.551 321 F HA 0.789 5.314 4.527 -0.003 0.000 0.316 321 F C 0.532 176.132 175.800 -0.332 0.000 1.089 321 F CA -1.276 56.703 58.000 -0.035 0.000 0.915 321 F CB 0.753 39.776 39.000 0.039 0.000 1.186 321 F HN 0.303 nan 8.300 nan 0.000 0.456 322 G N 1.249 109.881 108.800 -0.280 0.000 2.653 322 G HA2 0.479 4.437 3.960 -0.003 0.000 0.265 322 G HA3 0.479 4.437 3.960 -0.003 0.000 0.265 322 G C -2.838 172.094 174.900 0.053 0.000 1.237 322 G CA -1.775 43.062 45.100 -0.438 0.000 0.946 322 G HN 0.519 nan 8.290 nan 0.000 0.522 323 P HA 0.027 nan 4.420 nan 0.000 0.266 323 P C -0.254 177.151 177.300 0.175 0.000 1.180 323 P CA 0.546 63.637 63.100 -0.015 0.000 0.765 323 P CB -0.038 31.652 31.700 -0.017 0.000 0.806 324 F N -0.137 119.898 119.950 0.141 0.000 3.057 324 F HA -0.201 4.324 4.527 -0.004 0.000 0.287 324 F C 1.409 177.260 175.800 0.085 0.000 0.834 324 F CA 0.856 58.911 58.000 0.091 0.000 1.147 324 F CB -2.685 36.352 39.000 0.060 0.000 1.245 324 F HN 0.631 nan 8.300 nan 0.000 0.509 325 G N -0.140 108.805 108.800 0.241 0.000 2.321 325 G HA2 -0.164 3.793 3.960 -0.003 0.000 0.287 325 G HA3 -0.164 3.793 3.960 -0.003 0.000 0.287 325 G C -0.033 174.955 174.900 0.147 0.000 1.018 325 G CA 0.098 45.222 45.100 0.041 0.000 0.855 325 G HN 0.778 nan 8.290 nan 0.000 0.507 326 V N 0.989 121.070 119.914 0.279 0.000 2.432 326 V HA 0.517 4.635 4.120 -0.003 0.000 0.271 326 V C 1.287 177.587 176.094 0.343 0.000 1.046 326 V CA -0.081 62.380 62.300 0.270 0.000 0.945 326 V CB 1.218 33.216 31.823 0.290 0.000 0.992 326 V HN 0.906 nan 8.190 nan 0.000 0.471 327 S N 4.674 120.544 115.700 0.285 0.000 2.566 327 S HA -0.048 4.420 4.470 -0.003 0.000 0.280 327 S C 1.511 176.350 174.600 0.398 0.000 1.343 327 S CA 0.404 58.804 58.200 0.333 0.000 1.036 327 S CB 0.317 63.611 63.200 0.156 0.000 0.866 327 S HN 0.944 nan 8.310 nan 0.000 0.526 328 H N 2.073 121.392 119.070 0.415 0.000 2.456 328 H HA -0.037 4.516 4.556 -0.004 0.000 0.296 328 H C 1.701 177.130 175.328 0.169 0.000 1.079 328 H CA 1.762 57.972 56.048 0.271 0.000 1.322 328 H CB -1.521 28.326 29.762 0.142 0.000 1.388 328 H HN 0.636 nan 8.280 nan 0.000 0.538 329 T N 1.603 115.886 114.554 -0.452 0.000 2.701 329 T HA -0.116 4.232 4.350 -0.003 0.000 0.263 329 T C 1.528 176.230 174.700 0.003 0.000 1.040 329 T CA 1.482 63.407 62.100 -0.291 0.000 1.147 329 T CB -0.182 68.481 68.868 -0.342 0.000 0.865 329 T HN 0.407 nan 8.240 nan 0.000 0.426 330 D N 0.968 121.400 120.400 0.053 0.000 2.123 330 D HA -0.075 4.563 4.640 -0.003 0.000 0.196 330 D C 2.276 178.692 176.300 0.194 0.000 0.992 330 D CA 0.758 54.833 54.000 0.126 0.000 0.833 330 D CB -0.579 40.301 40.800 0.134 0.000 0.954 330 D HN 0.206 nan 8.370 nan 0.000 0.455 331 V N 1.177 121.231 119.914 0.233 0.000 2.282 331 V HA -0.263 3.855 4.120 -0.003 0.000 0.249 331 V C 2.233 178.455 176.094 0.213 0.000 1.057 331 V CA 1.543 63.992 62.300 0.248 0.000 1.032 331 V CB -0.727 31.250 31.823 0.256 0.000 0.645 331 V HN 0.132 nan 8.190 nan 0.000 0.447 332 F N 0.265 120.238 119.950 0.039 0.000 2.126 332 F HA -0.265 4.260 4.527 -0.003 0.000 0.299 332 F C 2.676 178.508 175.800 0.054 0.000 1.096 332 F CA 2.193 60.213 58.000 0.033 0.000 1.255 332 F CB -0.089 38.922 39.000 0.020 0.000 0.997 332 F HN 0.103 nan 8.300 nan 0.000 0.479 333 Q N 0.571 120.638 119.800 0.445 0.000 2.061 333 Q HA -0.244 4.093 4.340 -0.003 0.000 0.204 333 Q C 2.013 178.140 176.000 0.212 0.000 0.984 333 Q CA 2.137 58.130 55.803 0.316 0.000 0.846 333 Q CB -0.186 28.664 28.738 0.187 0.000 0.902 333 Q HN 0.505 nan 8.270 nan 0.000 0.421 334 R N -0.316 120.300 120.500 0.194 0.000 2.320 334 R HA 0.057 4.395 4.340 -0.003 0.000 0.211 334 R C 1.403 177.756 176.300 0.089 0.000 0.931 334 R CA 0.226 56.434 56.100 0.180 0.000 1.071 334 R CB 0.128 30.596 30.300 0.280 0.000 1.025 334 R HN 0.280 nan 8.270 nan 0.000 0.495 335 L N 0.203 121.445 121.223 0.031 0.000 2.537 335 L HA 0.134 4.472 4.340 -0.003 0.000 0.224 335 L C 2.476 179.269 176.870 -0.129 0.000 1.065 335 L CA 0.384 55.175 54.840 -0.082 0.000 0.860 335 L CB -0.053 41.953 42.059 -0.089 0.000 1.086 335 L HN 0.256 nan 8.230 nan 0.000 0.482 336 E N 1.004 121.139 120.200 -0.107 0.000 2.028 336 E HA -0.248 4.100 4.350 -0.003 0.000 0.190 336 E C 2.224 178.817 176.600 -0.012 0.000 0.984 336 E CA 1.064 57.419 56.400 -0.075 0.000 0.800 336 E CB 0.054 29.771 29.700 0.029 0.000 0.758 336 E HN 0.223 nan 8.360 nan 0.000 0.448 337 L N 1.186 122.423 121.223 0.023 0.000 2.051 337 L HA -0.204 4.134 4.340 -0.003 0.000 0.214 337 L C 2.354 179.205 176.870 -0.032 0.000 1.076 337 L CA 1.653 56.507 54.840 0.022 0.000 0.758 337 L CB -0.645 41.443 42.059 0.047 0.000 0.890 337 L HN 0.338 nan 8.230 nan 0.000 0.433 338 L N -0.783 120.384 121.223 -0.092 0.000 2.179 338 L HA 0.156 4.494 4.340 -0.003 0.000 0.208 338 L C 2.276 179.044 176.870 -0.170 0.000 1.096 338 L CA 1.649 56.388 54.840 -0.169 0.000 0.779 338 L CB -1.013 40.868 42.059 -0.296 0.000 0.922 338 L HN 0.274 nan 8.230 nan 0.000 0.443 339 G N -1.132 107.592 108.800 -0.127 0.000 2.408 339 G HA2 -0.290 3.668 3.960 -0.003 0.000 0.217 339 G HA3 -0.290 3.668 3.960 -0.003 0.000 0.217 339 G C 1.398 176.279 174.900 -0.033 0.000 1.150 339 G CA 0.716 45.756 45.100 -0.100 0.000 0.776 339 G HN 0.433 nan 8.290 nan 0.000 0.542 340 D N 1.199 121.597 120.400 -0.004 0.000 2.123 340 D HA -0.091 4.547 4.640 -0.003 0.000 0.196 340 D C 2.716 179.033 176.300 0.029 0.000 0.992 340 D CA 1.370 55.394 54.000 0.041 0.000 0.833 340 D CB -0.225 40.601 40.800 0.044 0.000 0.954 340 D HN 0.249 nan 8.370 nan 0.000 0.455 341 A N 0.502 123.311 122.820 -0.019 0.000 1.897 341 A HA -0.081 4.237 4.320 -0.003 0.000 0.215 341 A C 2.589 180.164 177.584 -0.015 0.000 1.181 341 A CA 2.104 54.126 52.037 -0.025 0.000 0.620 341 A CB -0.843 18.111 19.000 -0.077 0.000 0.821 341 A HN 0.263 nan 8.150 nan 0.000 0.443 342 V N -1.625 118.225 119.914 -0.107 0.000 2.358 342 V HA -0.166 3.952 4.120 -0.003 0.000 0.246 342 V C 2.332 178.459 176.094 0.056 0.000 1.047 342 V CA 1.801 64.039 62.300 -0.103 0.000 1.035 342 V CB -1.198 30.381 31.823 -0.407 0.000 0.658 342 V HN 0.387 nan 8.190 nan 0.000 0.452 343 L N 2.840 124.099 121.223 0.060 0.000 2.046 343 L HA 0.143 4.481 4.340 -0.003 0.000 0.208 343 L C 2.402 179.361 176.870 0.148 0.000 1.077 343 L CA 2.449 57.374 54.840 0.141 0.000 0.747 343 L CB -1.526 40.644 42.059 0.185 0.000 0.896 343 L HN 0.311 nan 8.230 nan 0.000 0.432 344 G N -1.030 107.849 108.800 0.130 0.000 2.421 344 G HA2 -0.341 3.617 3.960 -0.003 0.000 0.216 344 G HA3 -0.341 3.617 3.960 -0.003 0.000 0.216 344 G C 1.526 176.530 174.900 0.173 0.000 1.171 344 G CA 0.860 46.042 45.100 0.137 0.000 0.775 344 G HN 0.492 nan 8.290 nan 0.000 0.543 345 F N 1.778 121.757 119.950 0.049 0.000 2.102 345 F HA -0.036 4.489 4.527 -0.004 0.000 0.298 345 F C 2.404 178.259 175.800 0.092 0.000 1.105 345 F CA 0.523 58.561 58.000 0.063 0.000 1.239 345 F CB -0.281 38.749 39.000 0.049 0.000 0.991 345 F HN 0.018 nan 8.300 nan 0.000 0.474 346 I N 0.244 120.649 120.570 -0.274 0.000 2.091 346 I HA -0.289 3.879 4.170 -0.003 0.000 0.239 346 I C 2.560 178.581 176.117 -0.160 0.000 1.061 346 I CA 1.527 62.646 61.300 -0.302 0.000 1.317 346 I CB -1.694 36.325 38.000 0.032 0.000 1.031 346 I HN 0.045 nan 8.210 nan 0.000 0.401 347 V N 0.904 120.862 119.914 0.073 0.000 2.324 347 V HA -0.311 3.807 4.120 -0.003 0.000 0.250 347 V C 2.599 178.717 176.094 0.039 0.000 1.060 347 V CA 2.486 64.901 62.300 0.192 0.000 1.042 347 V CB -1.268 30.701 31.823 0.243 0.000 0.650 347 V HN 0.474 nan 8.190 nan 0.000 0.450 348 T N 0.184 114.742 114.554 0.006 0.000 2.746 348 T HA -0.167 4.181 4.350 -0.003 0.000 0.267 348 T C 2.040 176.688 174.700 -0.087 0.000 1.039 348 T CA 1.691 63.791 62.100 -0.001 0.000 1.142 348 T CB -0.427 68.488 68.868 0.077 0.000 0.866 348 T HN 0.601 nan 8.240 nan 0.000 0.444 349 A N 1.993 124.699 122.820 -0.189 0.000 1.841 349 A HA -0.080 4.238 4.320 -0.003 0.000 0.214 349 A C 2.402 179.830 177.584 -0.261 0.000 1.195 349 A CA 1.039 52.963 52.037 -0.187 0.000 0.611 349 A CB -0.388 18.435 19.000 -0.294 0.000 0.835 349 A HN 0.182 nan 8.150 nan 0.000 0.443 350 R N -0.360 119.852 120.500 -0.481 0.000 2.120 350 R HA -0.006 4.332 4.340 -0.003 0.000 0.234 350 R C 1.997 177.895 176.300 -0.669 0.000 1.123 350 R CA 0.951 56.538 56.100 -0.854 0.000 0.975 350 R CB -0.933 28.234 30.300 -1.889 0.000 0.866 350 R HN 0.597 nan 8.270 nan 0.000 0.446 351 L N -0.038 120.979 121.223 -0.343 0.000 2.109 351 L HA -0.140 4.198 4.340 -0.003 0.000 0.207 351 L C 2.162 179.041 176.870 0.016 0.000 1.086 351 L CA 0.416 55.251 54.840 -0.009 0.000 0.760 351 L CB -0.343 41.818 42.059 0.169 0.000 0.910 351 L HN 0.069 nan 8.230 nan 0.000 0.437 352 L N -0.515 120.665 121.223 -0.072 0.000 2.012 352 L HA -0.287 4.051 4.340 -0.003 0.000 0.210 352 L C 2.539 179.406 176.870 -0.006 0.000 1.073 352 L CA 1.829 56.615 54.840 -0.090 0.000 0.748 352 L CB -0.741 41.168 42.059 -0.251 0.000 0.891 352 L HN 0.332 nan 8.230 nan 0.000 0.431 353 C N -1.789 117.482 119.300 -0.048 0.000 2.464 353 C HA -0.005 4.453 4.460 -0.003 0.000 0.278 353 C C 2.578 177.464 174.990 -0.175 0.000 1.375 353 C CA 0.026 59.003 59.018 -0.068 0.000 1.761 353 C CB -0.709 26.974 27.740 -0.094 0.000 1.944 353 C HN 0.520 nan 8.230 nan 0.000 0.509 354 L N -0.654 120.410 121.223 -0.265 0.000 2.217 354 L HA 0.183 4.521 4.340 -0.003 0.000 0.211 354 L C 0.040 176.505 176.870 -0.675 0.000 1.107 354 L CA 1.851 56.410 54.840 -0.468 0.000 0.783 354 L CB -0.329 41.420 42.059 -0.517 0.000 0.919 354 L HN 0.249 nan 8.230 nan 0.000 0.442 355 F N 0.467 120.415 119.950 -0.004 0.000 2.584 355 F HA 0.402 4.928 4.527 -0.002 0.000 0.328 355 F C -1.584 174.214 175.800 -0.002 0.000 1.407 355 F CA -1.917 56.090 58.000 0.012 0.000 1.145 355 F CB 0.292 39.300 39.000 0.014 0.000 1.440 355 F HN -0.074 nan 8.300 nan 0.000 0.580 356 P HA -0.197 nan 4.420 nan 0.000 0.225 356 P C 0.937 178.267 177.300 0.051 0.000 1.148 356 P CA 1.527 64.563 63.100 -0.107 0.000 0.779 356 P CB 0.549 31.942 31.700 -0.511 0.000 0.780 357 D N -0.376 120.193 120.400 0.281 0.000 2.392 357 D HA 0.055 4.693 4.640 -0.003 0.000 0.206 357 D C 0.625 177.059 176.300 0.224 0.000 1.046 357 D CA -0.102 54.139 54.000 0.401 0.000 0.865 357 D CB 0.182 41.208 40.800 0.376 0.000 0.969 357 D HN -0.046 nan 8.370 nan 0.000 0.509 358 A N 0.828 123.757 122.820 0.181 0.000 2.448 358 A HA 0.350 4.668 4.320 -0.003 0.000 0.239 358 A C 0.620 178.238 177.584 0.056 0.000 1.080 358 A CA 0.124 52.212 52.037 0.084 0.000 0.779 358 A CB 0.320 19.345 19.000 0.041 0.000 1.026 358 A HN 0.322 nan 8.150 nan 0.000 0.499 359 S N 0.333 116.041 115.700 0.013 0.000 2.646 359 S HA 0.384 4.852 4.470 -0.003 0.000 0.276 359 S C 1.019 175.610 174.600 -0.014 0.000 1.222 359 S CA -0.211 57.992 58.200 0.005 0.000 1.014 359 S CB 1.170 64.368 63.200 -0.003 0.000 0.991 359 S HN 0.754 nan 8.310 nan 0.000 0.533 360 V N 2.823 122.727 119.914 -0.017 0.000 2.252 360 V HA -0.163 3.955 4.120 -0.003 0.000 0.249 360 V C 2.819 178.901 176.094 -0.020 0.000 1.056 360 V CA 2.575 64.861 62.300 -0.023 0.000 1.022 360 V CB -1.891 29.921 31.823 -0.020 0.000 0.641 360 V HN 1.082 nan 8.190 nan 0.000 0.445 361 G N 0.394 109.183 108.800 -0.018 0.000 2.553 361 G HA2 -0.370 3.588 3.960 -0.003 0.000 0.218 361 G HA3 -0.370 3.588 3.960 -0.003 0.000 0.218 361 G C 1.734 176.615 174.900 -0.032 0.000 1.195 361 G CA 2.121 47.209 45.100 -0.020 0.000 0.779 361 G HN 0.605 nan 8.290 nan 0.000 0.577 362 T N -0.585 113.941 114.554 -0.047 0.000 2.995 362 T HA 0.149 4.497 4.350 -0.003 0.000 0.269 362 T C 2.364 177.012 174.700 -0.086 0.000 1.091 362 T CA 0.750 62.804 62.100 -0.078 0.000 1.128 362 T CB -0.131 68.674 68.868 -0.104 0.000 0.891 362 T HN 0.188 nan 8.240 nan 0.000 0.492 363 L N 0.556 121.746 121.223 -0.054 0.000 2.291 363 L HA 0.060 4.398 4.340 -0.003 0.000 0.214 363 L C 2.575 179.437 176.870 -0.012 0.000 1.120 363 L CA 0.459 55.280 54.840 -0.031 0.000 0.799 363 L CB -0.232 41.814 42.059 -0.021 0.000 0.925 363 L HN 0.210 nan 8.230 nan 0.000 0.446 364 V N -0.661 119.245 119.914 -0.014 0.000 2.725 364 V HA -0.129 3.989 4.120 -0.003 0.000 0.247 364 V C 2.137 178.228 176.094 -0.006 0.000 1.058 364 V CA 1.117 63.417 62.300 0.001 0.000 1.080 364 V CB -0.196 31.629 31.823 0.003 0.000 0.713 364 V HN 0.422 nan 8.190 nan 0.000 0.465 365 E N 0.592 120.776 120.200 -0.026 0.000 2.106 365 E HA -0.131 4.217 4.350 -0.003 0.000 0.192 365 E C 2.220 178.796 176.600 -0.040 0.000 0.984 365 E CA 1.102 57.481 56.400 -0.035 0.000 0.806 365 E CB -0.164 29.505 29.700 -0.052 0.000 0.750 365 E HN 0.484 nan 8.360 nan 0.000 0.458 366 L N 1.232 122.422 121.223 -0.054 0.000 2.056 366 L HA -0.171 4.167 4.340 -0.003 0.000 0.207 366 L C 2.679 179.557 176.870 0.013 0.000 1.078 366 L CA 1.150 55.960 54.840 -0.050 0.000 0.749 366 L CB -0.536 41.472 42.059 -0.084 0.000 0.901 366 L HN 0.086 nan 8.230 nan 0.000 0.433 367 K N 0.393 120.814 120.400 0.036 0.000 2.000 367 K HA -0.252 4.066 4.320 -0.003 0.000 0.218 367 K C 2.284 178.913 176.600 0.048 0.000 1.053 367 K CA 1.842 58.170 56.287 0.067 0.000 0.946 367 K CB -0.057 32.480 32.500 0.061 0.000 0.723 367 K HN 0.095 nan 8.250 nan 0.000 0.446 368 M N 0.814 120.430 119.600 0.027 0.000 2.082 368 M HA -0.187 4.291 4.480 -0.003 0.000 0.258 368 M C 2.118 178.420 176.300 0.003 0.000 1.069 368 M CA 1.667 56.977 55.300 0.016 0.000 1.102 368 M CB -1.275 31.329 32.600 0.006 0.000 1.336 368 M HN 0.242 nan 8.290 nan 0.000 0.404 369 E N 0.622 120.817 120.200 -0.008 0.000 2.233 369 E HA -0.161 4.187 4.350 -0.003 0.000 0.199 369 E C 1.835 178.424 176.600 -0.019 0.000 1.004 369 E CA 1.343 57.729 56.400 -0.024 0.000 0.819 369 E CB -0.178 29.498 29.700 -0.041 0.000 0.738 369 E HN 0.597 nan 8.360 nan 0.000 0.478 370 L N -1.866 119.359 121.223 0.004 0.000 2.467 370 L HA 0.093 4.431 4.340 -0.003 0.000 0.213 370 L C 1.833 178.691 176.870 -0.019 0.000 1.053 370 L CA 0.140 54.980 54.840 0.000 0.000 0.847 370 L CB 0.271 42.359 42.059 0.049 0.000 1.075 370 L HN -0.053 nan 8.230 nan 0.000 0.479 371 V N -0.154 119.769 119.914 0.015 0.000 3.306 371 V HA -0.008 4.110 4.120 -0.003 0.000 0.264 371 V C 1.418 177.517 176.094 0.008 0.000 1.149 371 V CA 0.159 62.472 62.300 0.021 0.000 1.143 371 V CB -0.692 31.167 31.823 0.060 0.000 0.767 371 V HN 0.316 nan 8.190 nan 0.000 0.476 372 R N 1.828 122.327 120.500 -0.002 0.000 2.697 372 R HA -0.096 4.242 4.340 -0.003 0.000 0.265 372 R C 1.737 178.036 176.300 -0.002 0.000 1.009 372 R CA 0.495 56.594 56.100 -0.001 0.000 1.099 372 R CB 0.056 30.349 30.300 -0.013 0.000 0.965 372 R HN 0.356 nan 8.270 nan 0.000 0.428 373 N N 2.328 121.037 118.700 0.014 0.000 2.084 373 N HA -0.206 4.531 4.740 -0.003 0.000 0.190 373 N C 0.648 176.171 175.510 0.023 0.000 1.030 373 N CA 1.988 55.055 53.050 0.028 0.000 0.849 373 N CB 0.098 38.604 38.487 0.032 0.000 1.012 373 N HN 0.604 nan 8.380 nan 0.000 0.423 374 E N 0.743 120.948 120.200 0.008 0.000 2.171 374 E HA -0.110 4.238 4.350 -0.003 0.000 0.197 374 E C 1.902 178.511 176.600 0.016 0.000 0.997 374 E CA 1.395 57.800 56.400 0.007 0.000 0.810 374 E CB -0.343 29.349 29.700 -0.015 0.000 0.738 374 E HN 0.497 nan 8.360 nan 0.000 0.467 375 A N 0.543 123.358 122.820 -0.009 0.000 1.840 375 A HA -0.064 4.254 4.320 -0.003 0.000 0.214 375 A C 2.191 179.767 177.584 -0.012 0.000 1.198 375 A CA 0.950 52.975 52.037 -0.021 0.000 0.608 375 A CB -0.687 18.276 19.000 -0.062 0.000 0.839 375 A HN 0.177 nan 8.150 nan 0.000 0.443 376 L N 0.202 121.376 121.223 -0.082 0.000 2.079 376 L HA -0.206 4.131 4.340 -0.003 0.000 0.210 376 L C 2.407 179.274 176.870 -0.005 0.000 1.081 376 L CA 1.412 56.148 54.840 -0.173 0.000 0.752 376 L CB -0.731 41.234 42.059 -0.156 0.000 0.896 376 L HN 0.500 nan 8.230 nan 0.000 0.433 377 N N -0.336 118.413 118.700 0.082 0.000 2.443 377 N HA -0.246 4.492 4.740 -0.003 0.000 0.184 377 N C 1.699 177.307 175.510 0.163 0.000 1.037 377 N CA 1.127 54.276 53.050 0.164 0.000 0.896 377 N CB 0.086 38.656 38.487 0.139 0.000 0.959 377 N HN 0.425 nan 8.380 nan 0.000 0.442 378 Y N 0.653 120.955 120.300 0.003 0.000 2.389 378 Y HA 0.177 4.725 4.550 -0.003 0.000 0.292 378 Y C 2.069 177.955 175.900 -0.023 0.000 1.117 378 Y CA 0.625 58.714 58.100 -0.017 0.000 1.195 378 Y CB -0.231 38.181 38.460 -0.081 0.000 1.076 378 Y HN -0.061 nan 8.280 nan 0.000 0.548 379 L N -0.905 120.188 121.223 -0.216 0.000 2.156 379 L HA -0.126 4.212 4.340 -0.003 0.000 0.208 379 L C 2.158 178.971 176.870 -0.094 0.000 1.095 379 L CA 0.794 55.495 54.840 -0.231 0.000 0.770 379 L CB -0.665 41.280 42.059 -0.189 0.000 0.914 379 L HN 0.092 nan 8.230 nan 0.000 0.439 380 V N -0.740 119.181 119.914 0.011 0.000 2.453 380 V HA -0.198 3.920 4.120 -0.003 0.000 0.247 380 V C 2.571 178.659 176.094 -0.010 0.000 1.048 380 V CA 1.285 63.633 62.300 0.081 0.000 1.049 380 V CB -0.454 31.470 31.823 0.167 0.000 0.672 380 V HN 0.435 nan 8.190 nan 0.000 0.457 381 Q N 0.685 120.459 119.800 -0.044 0.000 2.050 381 Q HA -0.180 4.158 4.340 -0.003 0.000 0.202 381 Q C 2.519 178.442 176.000 -0.128 0.000 0.980 381 Q CA 2.352 58.124 55.803 -0.051 0.000 0.840 381 Q CB -0.936 27.785 28.738 -0.028 0.000 0.898 381 Q HN 0.834 nan 8.270 nan 0.000 0.424 382 T N -1.120 113.272 114.554 -0.270 0.000 2.962 382 T HA -0.028 4.320 4.350 -0.003 0.000 0.270 382 T C 1.773 176.401 174.700 -0.120 0.000 1.088 382 T CA 0.586 62.544 62.100 -0.237 0.000 1.127 382 T CB -0.199 68.445 68.868 -0.374 0.000 0.883 382 T HN 0.127 nan 8.240 nan 0.000 0.493 383 L N 0.838 122.011 121.223 -0.084 0.000 2.612 383 L HA 0.328 4.666 4.340 -0.003 0.000 0.230 383 L C 1.860 178.704 176.870 -0.044 0.000 1.140 383 L CA 0.188 55.002 54.840 -0.042 0.000 0.896 383 L CB -0.692 41.372 42.059 0.008 0.000 1.065 383 L HN 0.548 nan 8.230 nan 0.000 0.447 384 G N 0.507 109.275 108.800 -0.052 0.000 2.321 384 G HA2 -0.305 3.653 3.960 -0.003 0.000 0.287 384 G HA3 -0.305 3.653 3.960 -0.003 0.000 0.287 384 G C 0.818 175.682 174.900 -0.061 0.000 1.018 384 G CA 0.549 45.619 45.100 -0.050 0.000 0.855 384 G HN 0.397 nan 8.290 nan 0.000 0.507 385 L N -0.857 120.327 121.223 -0.065 0.000 2.127 385 L HA 0.051 4.389 4.340 -0.003 0.000 0.203 385 L C 0.467 177.245 176.870 -0.154 0.000 1.080 385 L CA 0.949 55.744 54.840 -0.074 0.000 0.768 385 L CB -0.818 41.223 42.059 -0.029 0.000 0.924 385 L HN 0.131 nan 8.230 nan 0.000 0.444 386 P HA -0.227 nan 4.420 nan 0.000 0.216 386 P C 1.256 178.445 177.300 -0.185 0.000 1.154 386 P CA 1.319 64.186 63.100 -0.388 0.000 0.865 386 P CB 0.061 31.562 31.700 -0.331 0.000 0.789 387 Q N -0.909 118.847 119.800 -0.073 0.000 2.124 387 Q HA -0.086 4.252 4.340 -0.003 0.000 0.202 387 Q C 2.058 178.109 176.000 0.084 0.000 0.977 387 Q CA 1.268 57.087 55.803 0.026 0.000 0.850 387 Q CB -1.039 27.726 28.738 0.044 0.000 0.901 387 Q HN 0.299 nan 8.270 nan 0.000 0.429 388 L N -0.537 120.662 121.223 -0.040 0.000 2.395 388 L HA 0.085 4.423 4.340 -0.003 0.000 0.218 388 L C 2.094 178.963 176.870 -0.001 0.000 1.130 388 L CA 0.399 55.167 54.840 -0.121 0.000 0.826 388 L CB -0.749 41.121 42.059 -0.315 0.000 0.941 388 L HN 0.170 nan 8.230 nan 0.000 0.451 389 A N 1.365 124.160 122.820 -0.041 0.000 1.827 389 A HA -0.145 4.173 4.320 -0.003 0.000 0.215 389 A C 0.981 178.612 177.584 0.078 0.000 1.212 389 A CA 1.927 53.939 52.037 -0.043 0.000 0.624 389 A CB -0.172 18.678 19.000 -0.250 0.000 0.853 389 A HN 0.585 nan 8.150 nan 0.000 0.450 394 N N 0.316 119.168 118.700 0.253 0.000 1.899 394 N HA 0.075 4.813 4.740 -0.003 0.000 0.223 394 N C 0.130 175.520 175.510 -0.200 0.000 1.411 394 N CA 0.059 53.136 53.050 0.046 0.000 0.737 394 N CB 0.221 38.726 38.487 0.029 0.000 1.100 394 N HN 0.172 nan 8.380 nan 0.000 0.527 395 L N 0.386 121.270 121.223 -0.564 0.000 3.754 395 L HA -0.145 4.193 4.340 -0.003 0.000 0.410 395 L C -1.000 175.578 176.870 -0.486 0.000 1.230 395 L CA 0.060 54.341 54.840 -0.932 0.000 0.901 395 L CB -1.328 40.322 42.059 -0.682 0.000 1.982 395 L HN 0.181 nan 8.230 nan 0.000 0.822 396 V N 0.881 120.600 119.914 -0.325 0.000 2.407 396 V HA 0.932 5.049 4.120 -0.003 0.000 0.291 396 V C 0.009 176.036 176.094 -0.113 0.000 1.018 396 V CA 0.624 62.823 62.300 -0.168 0.000 0.842 396 V CB 1.689 33.461 31.823 -0.086 0.000 0.996 396 V HN 0.454 nan 8.190 nan 0.000 0.426 397 A N 5.997 128.757 122.820 -0.099 0.000 2.372 397 A HA 0.374 4.692 4.320 -0.003 0.000 0.309 397 A C 0.450 178.006 177.584 -0.047 0.000 1.013 397 A CA -0.126 51.883 52.037 -0.046 0.000 0.978 397 A CB 0.661 19.650 19.000 -0.018 0.000 1.174 397 A HN 0.753 nan 8.150 nan 0.000 0.357 398 K N 0.679 121.062 120.400 -0.028 0.000 2.170 398 K HA -0.341 3.977 4.320 -0.003 0.000 0.217 398 K C 1.706 178.291 176.600 -0.025 0.000 0.877 398 K CA 2.583 58.856 56.287 -0.023 0.000 0.997 398 K CB -0.371 32.122 32.500 -0.011 0.000 0.964 398 K HN 0.892 nan 8.250 nan 0.000 0.519 399 S N -0.503 115.187 115.700 -0.018 0.000 2.663 399 S HA 0.084 4.552 4.470 -0.003 0.000 0.247 399 S C -0.074 174.527 174.600 0.001 0.000 1.074 399 S CA -0.361 57.834 58.200 -0.009 0.000 0.955 399 S CB 0.490 63.692 63.200 0.002 0.000 0.901 399 S HN 0.135 nan 8.310 nan 0.000 0.505 400 K N 1.810 122.214 120.400 0.006 0.000 2.295 400 K HA 0.344 4.661 4.320 -0.003 0.000 0.270 400 K C -0.744 175.885 176.600 0.048 0.000 1.011 400 K CA 0.386 56.699 56.287 0.043 0.000 0.953 400 K CB 1.018 33.539 32.500 0.036 0.000 0.956 400 K HN 0.110 nan 8.250 nan 0.000 0.477 401 T N 0.847 115.482 114.554 0.135 0.000 2.912 401 T HA 0.148 4.496 4.350 -0.003 0.000 0.299 401 T C 0.817 175.773 174.700 0.426 0.000 1.052 401 T CA -0.714 61.464 62.100 0.130 0.000 0.996 401 T CB 0.661 69.562 68.868 0.055 0.000 1.070 401 T HN 0.693 nan 8.240 nan 0.000 0.465 402 W N 1.609 122.971 121.300 0.104 0.000 2.290 402 W HA -0.274 4.384 4.660 -0.003 0.000 0.318 402 W C 2.542 179.155 176.519 0.156 0.000 1.248 402 W CA 0.715 58.136 57.345 0.127 0.000 1.263 402 W CB -0.272 29.245 29.460 0.095 0.000 1.147 402 W HN 0.850 nan 8.180 nan 0.000 0.494 403 A N 1.004 124.054 122.820 0.384 0.000 1.997 403 A HA -0.309 4.009 4.320 -0.003 0.000 0.221 403 A C 1.434 179.200 177.584 0.302 0.000 1.172 403 A CA 2.457 54.657 52.037 0.272 0.000 0.645 403 A CB -0.985 18.117 19.000 0.171 0.000 0.813 403 A HN 0.284 nan 8.150 nan 0.000 0.454 404 D N -0.297 120.302 120.400 0.332 0.000 2.158 404 D HA -0.212 4.426 4.640 -0.003 0.000 0.197 404 D C 1.890 178.382 176.300 0.320 0.000 0.995 404 D CA 1.592 55.806 54.000 0.357 0.000 0.846 404 D CB -0.477 40.615 40.800 0.487 0.000 0.941 404 D HN 0.556 nan 8.370 nan 0.000 0.456 405 M N -0.721 119.102 119.600 0.371 0.000 2.149 405 M HA -0.215 4.263 4.480 -0.003 0.000 0.261 405 M C 2.131 178.497 176.300 0.111 0.000 1.064 405 M CA 1.226 56.661 55.300 0.225 0.000 1.102 405 M CB -0.371 32.374 32.600 0.242 0.000 1.369 405 M HN 0.075 nan 8.290 nan 0.000 0.408 406 Y N 1.444 121.799 120.300 0.093 0.000 2.097 406 Y HA -0.280 4.268 4.550 -0.003 0.000 0.282 406 Y C 2.125 178.055 175.900 0.049 0.000 1.152 406 Y CA 2.143 60.307 58.100 0.106 0.000 1.136 406 Y CB -0.189 38.355 38.460 0.140 0.000 0.975 406 Y HN 0.262 nan 8.280 nan 0.000 0.498 407 E N -0.452 119.875 120.200 0.212 0.000 2.153 407 E HA -0.227 4.121 4.350 -0.003 0.000 0.194 407 E C 2.139 178.674 176.600 -0.108 0.000 0.988 407 E CA 0.988 57.436 56.400 0.081 0.000 0.811 407 E CB -0.163 29.605 29.700 0.113 0.000 0.746 407 E HN 0.469 nan 8.360 nan 0.000 0.466 408 E N 1.083 121.156 120.200 -0.212 0.000 2.031 408 E HA -0.192 4.156 4.350 -0.003 0.000 0.193 408 E C 2.053 178.462 176.600 -0.317 0.000 0.994 408 E CA 0.928 57.085 56.400 -0.404 0.000 0.800 408 E CB -0.017 29.176 29.700 -0.845 0.000 0.752 408 E HN 0.150 nan 8.360 nan 0.000 0.447 409 I N 0.687 121.047 120.570 -0.349 0.000 2.208 409 I HA -0.271 3.897 4.170 -0.003 0.000 0.245 409 I C 2.577 178.374 176.117 -0.532 0.000 1.097 409 I CA 0.755 61.748 61.300 -0.512 0.000 1.363 409 I CB -0.705 36.796 38.000 -0.832 0.000 1.051 409 I HN -0.036 nan 8.210 nan 0.000 0.413 410 V N 0.553 120.187 119.914 -0.466 0.000 2.287 410 V HA -0.248 3.870 4.120 -0.003 0.000 0.248 410 V C 2.545 178.552 176.094 -0.145 0.000 1.053 410 V CA 2.154 64.283 62.300 -0.285 0.000 1.027 410 V CB -1.648 30.100 31.823 -0.125 0.000 0.646 410 V HN 0.569 nan 8.190 nan 0.000 0.447 411 G N -1.511 107.201 108.800 -0.147 0.000 2.448 411 G HA2 -0.248 3.710 3.960 -0.003 0.000 0.219 411 G HA3 -0.248 3.710 3.960 -0.003 0.000 0.219 411 G C 1.882 176.764 174.900 -0.030 0.000 1.127 411 G CA 1.208 46.250 45.100 -0.097 0.000 0.766 411 G HN 0.491 nan 8.290 nan 0.000 0.552 412 S N -0.274 115.374 115.700 -0.087 0.000 2.406 412 S HA 0.040 4.508 4.470 -0.003 0.000 0.224 412 S C 2.343 176.930 174.600 -0.021 0.000 1.030 412 S CA 0.159 58.335 58.200 -0.041 0.000 0.958 412 S CB -0.123 63.041 63.200 -0.060 0.000 0.811 412 S HN 0.192 nan 8.310 nan 0.000 0.489 413 I N 1.032 121.553 120.570 -0.082 0.000 2.179 413 I HA -0.107 4.061 4.170 -0.003 0.000 0.242 413 I C 2.081 178.236 176.117 0.063 0.000 1.088 413 I CA 1.271 62.540 61.300 -0.052 0.000 1.357 413 I CB -1.425 36.510 38.000 -0.108 0.000 1.051 413 I HN 0.341 nan 8.210 nan 0.000 0.409 414 F N 2.499 122.421 119.950 -0.047 0.000 2.095 414 F HA -0.273 4.252 4.527 -0.003 0.000 0.298 414 F C 2.721 178.527 175.800 0.011 0.000 1.104 414 F CA 2.256 60.252 58.000 -0.007 0.000 1.232 414 F CB -0.461 38.526 39.000 -0.022 0.000 0.987 414 F HN 0.163 nan 8.300 nan 0.000 0.475 415 T N -2.030 112.585 114.554 0.101 0.000 3.148 415 T HA 0.277 4.625 4.350 -0.003 0.000 0.253 415 T C 1.195 175.911 174.700 0.027 0.000 1.134 415 T CA 0.296 62.426 62.100 0.051 0.000 1.051 415 T CB -0.944 68.017 68.868 0.155 0.000 0.959 415 T HN 0.280 nan 8.240 nan 0.000 0.525 416 G N 2.186 110.995 108.800 0.015 0.000 2.557 416 G HA2 0.470 4.428 3.960 -0.003 0.000 0.292 416 G HA3 0.470 4.428 3.960 -0.003 0.000 0.292 416 G C -1.367 173.531 174.900 -0.003 0.000 1.237 416 G CA -1.517 43.596 45.100 0.022 0.000 0.978 416 G HN 0.059 nan 8.290 nan 0.000 0.498 417 P HA -0.042 nan 4.420 nan 0.000 0.234 417 P C 0.662 177.972 177.300 0.017 0.000 1.167 417 P CA 0.588 63.694 63.100 0.010 0.000 0.763 417 P CB 0.350 32.062 31.700 0.020 0.000 0.835 418 N N -0.156 118.558 118.700 0.023 0.000 2.415 418 N HA 0.027 4.765 4.740 -0.003 0.000 0.176 418 N C 1.523 177.083 175.510 0.083 0.000 1.042 418 N CA 1.089 54.175 53.050 0.060 0.000 0.902 418 N CB -0.414 38.108 38.487 0.058 0.000 0.986 418 N HN 0.150 nan 8.380 nan 0.000 0.447 419 G N 2.232 111.030 108.800 -0.003 0.000 2.574 419 G HA2 -0.350 3.608 3.960 -0.003 0.000 0.295 419 G HA3 -0.350 3.608 3.960 -0.003 0.000 0.295 419 G C 0.978 175.928 174.900 0.082 0.000 1.300 419 G CA 0.306 45.343 45.100 -0.106 0.000 0.944 419 G HN 0.325 nan 8.290 nan 0.000 0.551 420 I N -0.684 119.939 120.570 0.089 0.000 2.248 420 I HA -0.226 3.942 4.170 -0.003 0.000 0.248 420 I C 2.502 178.764 176.117 0.243 0.000 1.107 420 I CA 2.458 63.951 61.300 0.321 0.000 1.373 420 I CB -0.189 37.996 38.000 0.309 0.000 1.055 420 I HN 0.609 nan 8.210 nan 0.000 0.418 421 Y N 0.456 120.855 120.300 0.164 0.000 2.315 421 Y HA -0.219 4.334 4.550 0.006 0.000 0.288 421 Y C 2.436 178.442 175.900 0.177 0.000 1.154 421 Y CA 0.853 59.050 58.100 0.162 0.000 1.229 421 Y CB -0.368 38.162 38.460 0.116 0.000 0.980 421 Y HN 0.307 nan 8.280 nan 0.000 0.540 422 G N -1.234 107.752 108.800 0.310 0.000 2.408 422 G HA2 -0.202 3.756 3.960 -0.003 0.000 0.213 422 G HA3 -0.202 3.756 3.960 -0.003 0.000 0.213 422 G C 1.612 176.661 174.900 0.250 0.000 1.177 422 G CA 0.877 46.113 45.100 0.226 0.000 0.802 422 G HN 0.431 nan 8.290 nan 0.000 0.533 423 C N 0.978 120.427 119.300 0.249 0.000 2.413 423 C HA -0.043 4.415 4.460 -0.003 0.000 0.276 423 C C 2.704 177.887 174.990 0.322 0.000 1.236 423 C CA 1.076 60.249 59.018 0.259 0.000 1.735 423 C CB -1.074 26.817 27.740 0.252 0.000 2.031 423 C HN 0.568 nan 8.230 nan 0.000 0.474 424 E N 0.752 121.139 120.200 0.312 0.000 2.085 424 E HA -0.268 4.080 4.350 -0.003 0.000 0.194 424 E C 2.163 178.958 176.600 0.326 0.000 0.994 424 E CA 1.494 58.082 56.400 0.313 0.000 0.801 424 E CB -0.291 29.597 29.700 0.314 0.000 0.743 424 E HN 0.753 nan 8.360 nan 0.000 0.453 425 E N 0.473 120.909 120.200 0.394 0.000 2.028 425 E HA -0.209 4.139 4.350 -0.003 0.000 0.191 425 E C 1.971 178.843 176.600 0.454 0.000 0.988 425 E CA 0.790 57.518 56.400 0.546 0.000 0.799 425 E CB -0.205 29.756 29.700 0.435 0.000 0.755 425 E HN 0.182 nan 8.360 nan 0.000 0.447 426 F N 1.626 121.679 119.950 0.172 0.000 2.087 426 F HA -0.273 4.250 4.527 -0.006 0.000 0.299 426 F C 1.957 177.808 175.800 0.085 0.000 1.100 426 F CA 1.723 59.761 58.000 0.062 0.000 1.226 426 F CB -0.433 38.543 39.000 -0.040 0.000 0.983 426 F HN 0.049 nan 8.300 nan 0.000 0.479 427 L N -0.142 121.158 121.223 0.128 0.000 1.970 427 L HA -0.255 4.082 4.340 -0.003 0.000 0.212 427 L C 2.864 179.654 176.870 -0.133 0.000 1.071 427 L CA 1.520 56.382 54.840 0.036 0.000 0.751 427 L CB -1.316 40.872 42.059 0.216 0.000 0.889 427 L HN 0.261 nan 8.230 nan 0.000 0.432 428 A N 0.122 122.885 122.820 -0.096 0.000 1.892 428 A HA -0.285 4.033 4.320 -0.003 0.000 0.218 428 A C 2.264 179.717 177.584 -0.219 0.000 1.188 428 A CA 2.257 54.087 52.037 -0.345 0.000 0.631 428 A CB -0.522 18.074 19.000 -0.673 0.000 0.822 428 A HN 0.398 nan 8.150 nan 0.000 0.447 429 K N -0.703 119.742 120.400 0.074 0.000 1.978 429 K HA -0.163 4.155 4.320 -0.003 0.000 0.214 429 K C 2.332 178.815 176.600 -0.195 0.000 1.049 429 K CA 2.134 58.430 56.287 0.014 0.000 0.939 429 K CB -0.906 31.584 32.500 -0.017 0.000 0.721 429 K HN 0.719 nan 8.250 nan 0.000 0.441 430 T N 1.068 115.464 114.554 -0.264 0.000 2.684 430 T HA -0.140 4.208 4.350 -0.003 0.000 0.267 430 T C 2.068 176.697 174.700 -0.117 0.000 1.036 430 T CA 1.253 63.217 62.100 -0.226 0.000 1.148 430 T CB -0.687 67.982 68.868 -0.332 0.000 0.863 430 T HN 0.095 nan 8.240 nan 0.000 0.436 431 L N -0.234 120.867 121.223 -0.202 0.000 2.191 431 L HA 0.146 4.484 4.340 -0.003 0.000 0.212 431 L C 0.979 177.722 176.870 -0.211 0.000 1.103 431 L CA 0.930 55.657 54.840 -0.188 0.000 0.769 431 L CB -0.566 41.262 42.059 -0.385 0.000 0.908 431 L HN 0.360 nan 8.230 nan 0.000 0.438 432 M N -1.097 118.197 119.600 -0.509 0.000 2.321 432 M HA 0.426 4.904 4.480 -0.003 0.000 0.315 432 M C -0.457 175.401 176.300 -0.737 0.000 1.052 432 M CA 0.037 54.870 55.300 -0.779 0.000 0.936 432 M CB 2.368 34.370 32.600 -0.998 0.000 1.639 432 M HN -0.130 nan 8.290 nan 0.000 0.433 433 S N 2.124 117.256 115.700 -0.947 0.000 2.558 433 S HA 0.515 4.983 4.470 -0.003 0.000 0.277 433 S C -2.534 171.753 174.600 -0.521 0.000 1.143 433 S CA -0.953 56.812 58.200 -0.726 0.000 0.865 433 S CB 1.674 64.415 63.200 -0.766 0.000 1.102 433 S HN 0.542 nan 8.310 nan 0.000 0.454 434 P HA -0.001 nan 4.420 nan 0.000 0.230 434 P C 0.735 177.984 177.300 -0.085 0.000 1.158 434 P CA 0.859 63.863 63.100 -0.160 0.000 0.769 434 P CB 0.146 31.771 31.700 -0.125 0.000 0.807 435 E N -0.150 119.991 120.200 -0.098 0.000 2.502 435 E HA -0.116 4.232 4.350 -0.003 0.000 0.194 435 E C 1.331 178.059 176.600 0.213 0.000 1.062 435 E CA 0.535 56.960 56.400 0.041 0.000 0.867 435 E CB -1.058 28.670 29.700 0.046 0.000 0.888 435 E HN 0.433 nan 8.360 nan 0.000 0.510 436 H N -1.272 117.801 119.070 0.006 0.000 2.553 436 H HA 0.209 4.764 4.556 -0.003 0.000 0.265 436 H C 0.144 175.468 175.328 -0.007 0.000 0.964 436 H CA 0.162 56.219 56.048 0.014 0.000 1.156 436 H CB 0.592 30.346 29.762 -0.013 0.000 1.411 436 H HN 0.085 nan 8.280 nan 0.000 0.558 437 S N 0.666 116.432 115.700 0.110 0.000 2.638 437 S HA 0.485 4.953 4.470 -0.003 0.000 0.302 437 S C -0.400 174.223 174.600 0.039 0.000 1.096 437 S CA -1.194 57.041 58.200 0.058 0.000 0.953 437 S CB 2.816 66.044 63.200 0.047 0.000 1.107 437 S HN 0.116 nan 8.310 nan 0.000 0.503 438 K N -0.124 120.289 120.400 0.021 0.000 2.419 438 K HA 0.915 5.233 4.320 -0.003 0.000 0.246 438 K C 0.121 176.729 176.600 0.014 0.000 1.037 438 K CA -0.623 55.674 56.287 0.017 0.000 0.982 438 K CB 0.187 32.691 32.500 0.008 0.000 1.283 438 K HN 0.791 nan 8.250 nan 0.000 0.500 444 C N 0.796 120.137 119.300 0.067 0.000 2.502 444 C HA 0.456 4.914 4.460 -0.003 0.000 0.404 444 C C -0.809 174.123 174.990 -0.098 0.000 1.409 444 C CA -0.783 58.255 59.018 0.034 0.000 1.648 444 C CB -0.810 26.929 27.740 -0.001 0.000 2.571 444 C HN 0.589 nan 8.230 nan 0.000 0.601 445 P HA 0.038 nan 4.420 nan 0.000 0.276 445 P C 0.345 177.550 177.300 -0.158 0.000 1.264 445 P CA 0.302 63.309 63.100 -0.156 0.000 0.815 445 P CB 0.525 32.112 31.700 -0.187 0.000 1.121 446 D N -1.378 118.957 120.400 -0.108 0.000 2.346 446 D HA 0.066 4.704 4.640 -0.003 0.000 0.206 446 D C 1.802 178.047 176.300 -0.091 0.000 1.001 446 D CA 0.674 54.623 54.000 -0.086 0.000 0.871 446 D CB -0.097 40.674 40.800 -0.050 0.000 0.943 446 D HN 0.319 nan 8.370 nan 0.000 0.518 447 A N 0.603 123.358 122.820 -0.109 0.000 1.872 447 A HA -0.076 4.242 4.320 -0.003 0.000 0.214 447 A C 2.429 179.934 177.584 -0.131 0.000 1.187 447 A CA 0.756 52.739 52.037 -0.090 0.000 0.614 447 A CB -0.676 18.281 19.000 -0.071 0.000 0.826 447 A HN 0.084 nan 8.150 nan 0.000 0.442 448 V N 0.196 119.977 119.914 -0.222 0.000 2.282 448 V HA -0.307 3.811 4.120 -0.003 0.000 0.249 448 V C 2.747 178.743 176.094 -0.164 0.000 1.057 448 V CA 2.655 64.802 62.300 -0.256 0.000 1.032 448 V CB -1.493 30.035 31.823 -0.492 0.000 0.645 448 V HN 0.613 nan 8.190 nan 0.000 0.447 449 T N -0.370 114.098 114.554 -0.143 0.000 2.665 449 T HA -0.276 4.072 4.350 -0.003 0.000 0.268 449 T C 1.905 176.567 174.700 -0.063 0.000 1.035 449 T CA 1.892 63.941 62.100 -0.086 0.000 1.151 449 T CB -0.286 68.541 68.868 -0.068 0.000 0.862 449 T HN 0.508 nan 8.240 nan 0.000 0.438 450 K N 0.888 121.253 120.400 -0.059 0.000 2.097 450 K HA 0.096 4.414 4.320 -0.003 0.000 0.205 450 K C 2.642 179.220 176.600 -0.038 0.000 1.050 450 K CA 1.048 57.313 56.287 -0.037 0.000 0.938 450 K CB -0.231 32.255 32.500 -0.024 0.000 0.718 450 K HN 0.299 nan 8.250 nan 0.000 0.442 451 A N 1.096 123.879 122.820 -0.062 0.000 2.015 451 A HA -0.113 4.205 4.320 -0.003 0.000 0.219 451 A C 2.168 179.705 177.584 -0.079 0.000 1.163 451 A CA 1.491 53.488 52.037 -0.068 0.000 0.646 451 A CB -0.321 18.612 19.000 -0.112 0.000 0.806 451 A HN 0.134 nan 8.150 nan 0.000 0.448 452 S N 0.063 115.714 115.700 -0.081 0.000 2.343 452 S HA -0.158 4.310 4.470 -0.003 0.000 0.219 452 S C 1.972 176.548 174.600 -0.041 0.000 1.033 452 S CA 1.676 59.832 58.200 -0.073 0.000 1.014 452 S CB -0.260 62.911 63.200 -0.049 0.000 0.915 452 S HN 0.666 nan 8.310 nan 0.000 0.435 453 K N 1.137 121.523 120.400 -0.023 0.000 2.009 453 K HA -0.072 4.245 4.320 -0.003 0.000 0.210 453 K C 2.368 178.968 176.600 0.001 0.000 1.049 453 K CA 1.229 57.513 56.287 -0.005 0.000 0.929 453 K CB -0.270 32.227 32.500 -0.004 0.000 0.714 453 K HN 0.193 nan 8.250 nan 0.000 0.440 454 R N 0.712 121.212 120.500 -0.001 0.000 2.133 454 R HA -0.168 4.170 4.340 -0.003 0.000 0.247 454 R C 2.331 178.642 176.300 0.019 0.000 1.151 454 R CA 1.564 57.670 56.100 0.011 0.000 0.971 454 R CB -0.629 29.681 30.300 0.017 0.000 0.866 454 R HN 0.054 nan 8.270 nan 0.000 0.447 455 V N 0.155 120.071 119.914 0.003 0.000 2.307 455 V HA -0.270 3.848 4.120 -0.003 0.000 0.245 455 V C 2.376 178.486 176.094 0.026 0.000 1.045 455 V CA 1.580 63.876 62.300 -0.007 0.000 1.024 455 V CB -0.441 31.296 31.823 -0.144 0.000 0.651 455 V HN 0.486 nan 8.190 nan 0.000 0.449 456 C N 0.978 120.299 119.300 0.036 0.000 2.393 456 C HA -0.151 4.307 4.460 -0.003 0.000 0.292 456 C C 1.810 176.843 174.990 0.072 0.000 1.347 456 C CA 1.216 60.284 59.018 0.082 0.000 1.810 456 C CB -1.419 26.354 27.740 0.054 0.000 1.899 456 C HN 0.686 nan 8.230 nan 0.000 0.532 457 M N -1.228 118.403 119.600 0.051 0.000 3.114 457 M HA 0.367 4.845 4.480 -0.003 0.000 0.386 457 M C 1.049 177.370 176.300 0.036 0.000 1.417 457 M CA 0.479 55.802 55.300 0.038 0.000 0.785 457 M CB -0.388 32.224 32.600 0.021 0.000 1.413 457 M HN 0.208 nan 8.290 nan 0.000 0.498 458 G N 1.755 110.588 108.800 0.055 0.000 2.485 458 G HA2 -0.376 3.582 3.960 -0.003 0.000 0.255 458 G HA3 -0.376 3.582 3.960 -0.003 0.000 0.255 458 G C 0.720 175.630 174.900 0.016 0.000 0.992 458 G CA 1.502 46.625 45.100 0.039 0.000 0.643 458 G HN 0.739 nan 8.290 nan 0.000 0.565 459 E N 1.141 121.351 120.200 0.017 0.000 2.428 459 E HA 0.408 4.756 4.350 -0.003 0.000 0.199 459 E C 1.036 177.647 176.600 0.019 0.000 1.172 459 E CA 0.305 56.712 56.400 0.012 0.000 0.941 459 E CB -0.452 29.255 29.700 0.011 0.000 1.001 459 E HN 0.734 nan 8.360 nan 0.000 0.501 460 A N -0.380 122.453 122.820 0.022 0.000 2.337 460 A HA 0.698 5.016 4.320 -0.003 0.000 0.329 460 A C 0.267 177.856 177.584 0.009 0.000 1.146 460 A CA -0.143 51.921 52.037 0.045 0.000 0.800 460 A CB 1.708 20.767 19.000 0.097 0.000 1.220 460 A HN 0.286 nan 8.150 nan 0.000 0.472 461 G N -0.532 108.287 108.800 0.031 0.000 3.252 461 G HA2 0.550 4.508 3.960 -0.003 0.000 0.181 461 G HA3 0.550 4.508 3.960 -0.003 0.000 0.181 461 G C 1.019 175.927 174.900 0.013 0.000 1.187 461 G CA 0.436 45.529 45.100 -0.013 0.000 0.886 461 G HN 1.233 nan 8.290 nan 0.000 0.615 462 A N -1.050 121.787 122.820 0.028 0.000 1.845 462 A HA -0.104 4.213 4.320 -0.003 0.000 0.215 462 A C 2.049 179.718 177.584 0.142 0.000 1.195 462 A CA 2.295 54.372 52.037 0.066 0.000 0.616 462 A CB -1.349 17.686 19.000 0.058 0.000 0.832 462 A HN 0.726 nan 8.150 nan 0.000 0.443 463 H N -0.253 118.850 119.070 0.055 0.000 2.319 463 H HA -0.166 4.388 4.556 -0.004 0.000 0.299 463 H C 2.091 177.467 175.328 0.080 0.000 1.092 463 H CA 2.136 58.218 56.048 0.058 0.000 1.302 463 H CB 0.064 29.846 29.762 0.033 0.000 1.373 463 H HN 0.482 nan 8.280 nan 0.000 0.497 464 E N 0.394 120.625 120.200 0.051 0.000 2.035 464 E HA -0.207 4.141 4.350 -0.003 0.000 0.204 464 E C 2.124 178.733 176.600 0.015 0.000 1.025 464 E CA 1.570 57.972 56.400 0.003 0.000 0.835 464 E CB -0.789 28.975 29.700 0.106 0.000 0.764 464 E HN 0.379 nan 8.360 nan 0.000 0.457 465 F N 0.841 120.734 119.950 -0.094 0.000 2.161 465 F HA -0.187 4.337 4.527 -0.005 0.000 0.300 465 F C 2.284 178.050 175.800 -0.056 0.000 1.089 465 F CA 1.208 59.168 58.000 -0.067 0.000 1.282 465 F CB -0.155 38.829 39.000 -0.027 0.000 1.010 465 F HN -0.063 nan 8.300 nan 0.000 0.485 466 R N 0.358 120.914 120.500 0.092 0.000 2.091 466 R HA -0.139 4.198 4.340 -0.003 0.000 0.238 466 R C 2.300 178.568 176.300 -0.053 0.000 1.136 466 R CA 1.458 57.571 56.100 0.022 0.000 0.959 466 R CB -1.428 28.884 30.300 0.020 0.000 0.856 466 R HN 0.285 nan 8.270 nan 0.000 0.437 467 S N 1.942 117.539 115.700 -0.172 0.000 2.392 467 S HA -0.195 4.273 4.470 -0.003 0.000 0.225 467 S C 2.213 176.796 174.600 -0.028 0.000 1.041 467 S CA 1.738 59.848 58.200 -0.149 0.000 1.100 467 S CB -0.777 62.289 63.200 -0.222 0.000 1.029 467 S HN 0.244 nan 8.310 nan 0.000 0.424 468 L N 1.296 122.480 121.223 -0.064 0.000 2.034 468 L HA -0.185 4.153 4.340 -0.003 0.000 0.217 468 L C 2.458 179.351 176.870 0.038 0.000 1.077 468 L CA 1.213 56.045 54.840 -0.013 0.000 0.769 468 L CB -1.262 40.682 42.059 -0.192 0.000 0.890 468 L HN 0.184 nan 8.230 nan 0.000 0.435 469 V N -0.117 119.797 119.914 0.000 0.000 2.244 469 V HA -0.272 3.846 4.120 -0.003 0.000 0.244 469 V C 2.152 178.262 176.094 0.027 0.000 1.042 469 V CA 2.179 64.487 62.300 0.014 0.000 1.006 469 V CB -0.625 31.217 31.823 0.031 0.000 0.641 469 V HN 0.364 nan 8.190 nan 0.000 0.446 470 D N -0.988 119.438 120.400 0.043 0.000 2.116 470 D HA -0.229 4.408 4.640 -0.003 0.000 0.193 470 D C 1.918 178.261 176.300 0.073 0.000 0.998 470 D CA 1.781 55.810 54.000 0.050 0.000 0.836 470 D CB -0.370 40.463 40.800 0.056 0.000 0.951 470 D HN 0.578 nan 8.370 nan 0.000 0.449 471 Y N 1.323 121.606 120.300 -0.028 0.000 2.114 471 Y HA -0.182 4.366 4.550 -0.004 0.000 0.284 471 Y C 2.203 178.093 175.900 -0.016 0.000 1.143 471 Y CA 1.713 59.798 58.100 -0.024 0.000 1.135 471 Y CB -0.793 37.645 38.460 -0.037 0.000 0.980 471 Y HN -0.041 nan 8.280 nan 0.000 0.499 472 A N -0.056 122.671 122.820 -0.155 0.000 1.849 472 A HA -0.276 4.042 4.320 -0.003 0.000 0.217 472 A C 2.456 179.939 177.584 -0.169 0.000 1.202 472 A CA 2.232 54.135 52.037 -0.223 0.000 0.629 472 A CB -1.689 17.281 19.000 -0.051 0.000 0.834 472 A HN 0.698 nan 8.150 nan 0.000 0.447 473 C N -0.265 118.987 119.300 -0.081 0.000 2.363 473 C HA -0.191 4.267 4.460 -0.003 0.000 0.274 473 C C 2.493 177.439 174.990 -0.073 0.000 1.183 473 C CA 1.375 60.361 59.018 -0.054 0.000 1.771 473 C CB -1.652 26.070 27.740 -0.030 0.000 2.059 473 C HN 0.669 nan 8.230 nan 0.000 0.455 474 E N -0.276 119.869 120.200 -0.092 0.000 2.409 474 E HA -0.154 4.194 4.350 -0.003 0.000 0.198 474 E C 1.948 178.465 176.600 -0.139 0.000 1.024 474 E CA 0.484 56.832 56.400 -0.087 0.000 0.861 474 E CB -0.194 29.474 29.700 -0.053 0.000 0.788 474 E HN 0.628 nan 8.360 nan 0.000 0.521 475 Q N -0.588 119.074 119.800 -0.229 0.000 2.319 475 Q HA 0.055 4.393 4.340 -0.003 0.000 0.202 475 Q C 1.123 177.040 176.000 -0.137 0.000 0.896 475 Q CA 0.517 56.170 55.803 -0.250 0.000 0.942 475 Q CB 1.135 29.581 28.738 -0.487 0.000 1.083 475 Q HN 0.415 nan 8.270 nan 0.000 0.510 476 G N 1.453 110.199 108.800 -0.090 0.000 2.155 476 G HA2 -0.285 3.673 3.960 -0.003 0.000 0.257 476 G HA3 -0.285 3.673 3.960 -0.003 0.000 0.257 476 G C 0.351 175.241 174.900 -0.017 0.000 0.983 476 G CA 0.214 45.289 45.100 -0.041 0.000 0.676 476 G HN 0.371 nan 8.290 nan 0.000 0.528 477 I N 1.865 122.419 120.570 -0.028 0.000 2.826 477 I HA 0.218 4.386 4.170 -0.003 0.000 0.295 477 I C 0.993 177.156 176.117 0.077 0.000 1.213 477 I CA 1.284 62.591 61.300 0.012 0.000 1.436 477 I CB 0.553 38.554 38.000 0.002 0.000 1.348 477 I HN 0.417 nan 8.210 nan 0.000 0.570 478 S N 5.308 121.063 115.700 0.090 0.000 2.557 478 S HA 0.535 5.003 4.470 -0.003 0.000 0.291 478 S C -0.062 174.628 174.600 0.150 0.000 1.116 478 S CA -0.775 57.515 58.200 0.151 0.000 0.992 478 S CB 1.951 65.218 63.200 0.113 0.000 1.028 478 S HN 0.541 nan 8.310 nan 0.000 0.484 479 V N -1.137 118.895 119.914 0.196 0.000 3.159 479 V HA 0.597 4.715 4.120 -0.003 0.000 0.333 479 V C -0.902 175.113 176.094 -0.131 0.000 1.424 479 V CA -0.286 61.997 62.300 -0.029 0.000 1.125 479 V CB -1.208 30.498 31.823 -0.195 0.000 1.075 479 V HN 0.652 nan 8.190 nan 0.000 0.482 480 F N 0.021 120.021 119.950 0.083 0.000 2.546 480 F HA 0.536 5.061 4.527 -0.002 0.000 0.320 480 F C 1.726 177.556 175.800 0.049 0.000 1.076 480 F CA -0.543 57.518 58.000 0.102 0.000 0.928 480 F CB 1.459 40.426 39.000 -0.054 0.000 1.189 480 F HN 0.150 nan 8.300 nan 0.000 0.465 481 C N -1.375 117.928 119.300 0.005 0.000 2.421 481 C HA 0.051 4.509 4.460 -0.003 0.000 0.296 481 C C 1.203 176.075 174.990 -0.196 0.000 1.470 481 C CA -0.020 58.770 59.018 -0.381 0.000 1.779 481 C CB -1.843 25.733 27.740 -0.273 0.000 1.715 481 C HN 0.629 nan 8.230 nan 0.000 0.564 482 S N -0.336 115.346 115.700 -0.029 0.000 2.681 482 S HA 0.554 5.022 4.470 -0.003 0.000 0.299 482 S C 0.840 175.429 174.600 -0.018 0.000 1.113 482 S CA -0.080 58.093 58.200 -0.045 0.000 1.013 482 S CB 1.791 64.971 63.200 -0.033 0.000 1.076 482 S HN 0.397 nan 8.310 nan 0.000 0.534 483 S N 1.617 117.290 115.700 -0.045 0.000 2.452 483 S HA 0.134 4.602 4.470 -0.003 0.000 0.225 483 S C 1.864 176.448 174.600 -0.026 0.000 1.057 483 S CA 0.004 58.188 58.200 -0.027 0.000 0.949 483 S CB -0.359 62.814 63.200 -0.045 0.000 0.836 483 S HN 0.747 nan 8.310 nan 0.000 0.518 484 R N 1.453 121.922 120.500 -0.053 0.000 2.075 484 R HA -0.043 4.295 4.340 -0.003 0.000 0.232 484 R C 1.964 178.207 176.300 -0.095 0.000 1.126 484 R CA 1.224 57.282 56.100 -0.070 0.000 0.963 484 R CB -0.452 29.797 30.300 -0.086 0.000 0.858 484 R HN 0.223 nan 8.270 nan 0.000 0.435 485 V N 0.686 120.525 119.914 -0.126 0.000 2.287 485 V HA -0.253 3.864 4.120 -0.003 0.000 0.248 485 V C 2.299 178.244 176.094 -0.248 0.000 1.053 485 V CA 2.172 64.336 62.300 -0.226 0.000 1.027 485 V CB -0.427 31.219 31.823 -0.295 0.000 0.646 485 V HN 0.379 nan 8.190 nan 0.000 0.447 486 S N -0.284 115.356 115.700 -0.100 0.000 2.348 486 S HA -0.221 4.247 4.470 -0.003 0.000 0.221 486 S C 2.101 176.806 174.600 0.176 0.000 1.033 486 S CA 2.011 60.295 58.200 0.141 0.000 1.010 486 S CB -0.593 62.740 63.200 0.222 0.000 0.891 486 S HN 0.671 nan 8.310 nan 0.000 0.442 487 T N 2.920 117.522 114.554 0.080 0.000 2.635 487 T HA -0.114 4.234 4.350 -0.003 0.000 0.267 487 T C 1.840 176.582 174.700 0.070 0.000 1.040 487 T CA 1.356 63.490 62.100 0.057 0.000 1.156 487 T CB -0.382 68.490 68.868 0.007 0.000 0.863 487 T HN 0.249 nan 8.240 nan 0.000 0.430 488 M N -0.129 119.497 119.600 0.042 0.000 2.202 488 M HA -0.047 4.431 4.480 -0.003 0.000 0.262 488 M C 2.127 178.625 176.300 0.331 0.000 1.063 488 M CA 1.334 56.670 55.300 0.060 0.000 1.097 488 M CB -0.703 31.776 32.600 -0.202 0.000 1.382 488 M HN 0.263 nan 8.290 nan 0.000 0.413 489 F N 1.727 121.776 119.950 0.164 0.000 2.051 489 F HA -0.197 4.328 4.527 -0.004 0.000 0.296 489 F C 2.033 177.911 175.800 0.131 0.000 1.122 489 F CA 1.598 59.693 58.000 0.158 0.000 1.201 489 F CB -0.756 38.297 39.000 0.089 0.000 0.978 489 F HN -0.025 nan 8.300 nan 0.000 0.472 490 L N 0.081 121.278 121.223 -0.044 0.000 2.081 490 L HA -0.240 4.098 4.340 -0.003 0.000 0.212 490 L C 2.588 179.386 176.870 -0.120 0.000 1.080 490 L CA 1.707 56.448 54.840 -0.165 0.000 0.754 490 L CB -0.963 41.089 42.059 -0.013 0.000 0.893 490 L HN 0.225 nan 8.230 nan 0.000 0.433 491 E N 0.792 120.981 120.200 -0.019 0.000 2.058 491 E HA -0.266 4.082 4.350 -0.003 0.000 0.194 491 E C 2.201 178.802 176.600 0.001 0.000 0.997 491 E CA 1.427 57.832 56.400 0.008 0.000 0.801 491 E CB -0.064 29.664 29.700 0.047 0.000 0.746 491 E HN 0.216 nan 8.360 nan 0.000 0.450 492 R N 0.764 121.275 120.500 0.019 0.000 2.096 492 R HA -0.109 4.229 4.340 -0.003 0.000 0.240 492 R C 2.638 178.887 176.300 -0.085 0.000 1.139 492 R CA 1.607 57.703 56.100 -0.005 0.000 0.952 492 R CB -1.014 29.256 30.300 -0.050 0.000 0.854 492 R HN 0.259 nan 8.270 nan 0.000 0.436 493 L N 0.142 121.237 121.223 -0.214 0.000 2.137 493 L HA -0.254 4.083 4.340 -0.003 0.000 0.213 493 L C 2.612 179.460 176.870 -0.038 0.000 1.085 493 L CA 1.795 56.540 54.840 -0.159 0.000 0.760 493 L CB -0.476 41.443 42.059 -0.234 0.000 0.893 493 L HN 0.289 nan 8.230 nan 0.000 0.434 494 R N -0.039 120.443 120.500 -0.030 0.000 2.105 494 R HA -0.157 4.180 4.340 -0.003 0.000 0.239 494 R C 1.674 177.993 176.300 0.031 0.000 1.135 494 R CA 1.526 57.632 56.100 0.009 0.000 0.967 494 R CB -0.357 29.949 30.300 0.009 0.000 0.861 494 R HN 0.473 nan 8.270 nan 0.000 0.442 495 D N 0.378 120.799 120.400 0.035 0.000 2.317 495 D HA -0.002 4.636 4.640 -0.003 0.000 0.211 495 D C 0.714 177.059 176.300 0.075 0.000 0.966 495 D CA 0.681 54.716 54.000 0.058 0.000 0.876 495 D CB 0.136 40.980 40.800 0.075 0.000 0.927 495 D HN 0.205 nan 8.370 nan 0.000 0.519 496 I N 3.700 124.314 120.570 0.073 0.000 2.416 496 I HA 0.091 4.259 4.170 -0.003 0.000 0.288 496 I C -2.028 174.164 176.117 0.124 0.000 1.051 496 I CA -1.830 59.543 61.300 0.121 0.000 1.375 496 I CB 1.017 39.104 38.000 0.144 0.000 1.407 496 I HN -0.292 nan 8.210 nan 0.000 0.516 497 P HA 0.046 nan 4.420 nan 0.000 0.271 497 P C 0.516 177.876 177.300 0.100 0.000 1.233 497 P CA -0.080 63.078 63.100 0.097 0.000 0.764 497 P CB 1.310 33.058 31.700 0.079 0.000 0.825 498 A N 5.735 128.612 122.820 0.094 0.000 1.923 498 A HA -0.267 4.051 4.320 -0.003 0.000 0.222 498 A C 1.862 179.467 177.584 0.035 0.000 1.258 498 A CA 2.210 54.304 52.037 0.095 0.000 0.670 498 A CB -1.230 17.828 19.000 0.097 0.000 0.834 498 A HN 0.672 nan 8.150 nan 0.000 0.470 499 E N -0.412 119.795 120.200 0.012 0.000 2.501 499 E HA -0.192 4.156 4.350 -0.003 0.000 0.203 499 E C 0.173 176.722 176.600 -0.084 0.000 1.072 499 E CA 1.388 57.764 56.400 -0.040 0.000 0.885 499 E CB -0.424 29.260 29.700 -0.026 0.000 0.813 499 E HN 0.624 nan 8.360 nan 0.000 0.556 500 D N 0.055 120.427 120.400 -0.045 0.000 2.392 500 D HA 0.163 4.801 4.640 -0.003 0.000 0.206 500 D C 1.786 177.978 176.300 -0.181 0.000 1.046 500 D CA 0.155 54.087 54.000 -0.113 0.000 0.865 500 D CB 0.023 40.844 40.800 0.035 0.000 0.969 500 D HN 0.211 nan 8.370 nan 0.000 0.509 501 M N 0.119 119.713 119.600 -0.010 0.000 2.296 501 M HA -0.075 4.403 4.480 -0.003 0.000 0.265 501 M C 1.859 177.999 176.300 -0.267 0.000 1.064 501 M CA 0.643 56.009 55.300 0.110 0.000 1.109 501 M CB 0.084 32.859 32.600 0.291 0.000 1.396 501 M HN 0.007 nan 8.290 nan 0.000 0.430 502 L N 0.775 121.655 121.223 -0.572 0.000 2.201 502 L HA -0.171 4.167 4.340 -0.003 0.000 0.212 502 L C 1.649 178.391 176.870 -0.214 0.000 1.105 502 L CA 1.873 56.370 54.840 -0.571 0.000 0.775 502 L CB -0.644 41.138 42.059 -0.463 0.000 0.913 502 L HN 0.214 nan 8.230 nan 0.000 0.440 503 D N -1.283 118.935 120.400 -0.304 0.000 2.149 503 D HA -0.197 4.441 4.640 -0.003 0.000 0.201 503 D C 1.987 178.159 176.300 -0.214 0.000 0.972 503 D CA 1.495 55.293 54.000 -0.336 0.000 0.835 503 D CB -0.288 40.168 40.800 -0.574 0.000 0.966 503 D HN 0.520 nan 8.370 nan 0.000 0.476 504 W N 0.239 121.583 121.300 0.073 0.000 2.418 504 W HA -0.151 4.506 4.660 -0.004 0.000 0.292 504 W C 2.278 178.917 176.519 0.200 0.000 1.213 504 W CA -0.128 57.299 57.345 0.136 0.000 1.283 504 W CB -0.416 29.156 29.460 0.186 0.000 1.119 504 W HN -0.001 nan 8.180 nan 0.000 0.542 505 Y N 1.288 121.789 120.300 0.335 0.000 2.092 505 Y HA -0.142 4.407 4.550 -0.002 0.000 0.282 505 Y C 2.538 178.538 175.900 0.167 0.000 1.126 505 Y CA 1.669 59.969 58.100 0.334 0.000 1.111 505 Y CB -0.690 38.045 38.460 0.459 0.000 0.987 505 Y HN -0.267 nan 8.280 nan 0.000 0.489 506 R N -0.282 120.301 120.500 0.139 0.000 2.261 506 R HA -0.187 4.151 4.340 -0.003 0.000 0.236 506 R C 1.937 178.212 176.300 -0.042 0.000 1.141 506 R CA 1.414 57.511 56.100 -0.005 0.000 1.001 506 R CB -0.480 29.836 30.300 0.026 0.000 0.866 506 R HN 0.392 nan 8.270 nan 0.000 0.468 507 L N -0.819 120.419 121.223 0.025 0.000 2.168 507 L HA 0.175 4.512 4.340 -0.003 0.000 0.203 507 L C 2.051 178.964 176.870 0.072 0.000 1.078 507 L CA 1.736 56.608 54.840 0.054 0.000 0.780 507 L CB -0.729 41.406 42.059 0.127 0.000 0.939 507 L HN 0.038 nan 8.230 nan 0.000 0.451 508 G N 0.072 108.928 108.800 0.093 0.000 2.402 508 G HA2 -0.212 3.746 3.960 -0.003 0.000 0.216 508 G HA3 -0.212 3.746 3.960 -0.003 0.000 0.216 508 G C 1.553 176.513 174.900 0.099 0.000 1.162 508 G CA 0.728 45.913 45.100 0.142 0.000 0.777 508 G HN 0.347 nan 8.290 nan 0.000 0.539 509 I N 0.579 120.980 120.570 -0.280 0.000 2.614 509 I HA -0.060 4.108 4.170 -0.003 0.000 0.258 509 I C 2.526 178.553 176.117 -0.149 0.000 1.189 509 I CA 1.164 62.152 61.300 -0.521 0.000 1.462 509 I CB -0.269 37.223 38.000 -0.847 0.000 1.092 509 I HN 0.193 nan 8.210 nan 0.000 0.442 510 Q N 0.021 119.795 119.800 -0.044 0.000 2.079 510 Q HA -0.227 4.111 4.340 -0.003 0.000 0.200 510 Q C 2.074 178.132 176.000 0.098 0.000 0.974 510 Q CA 1.740 57.566 55.803 0.039 0.000 0.840 510 Q CB -0.486 28.270 28.738 0.030 0.000 0.898 510 Q HN 0.412 nan 8.270 nan 0.000 0.430 511 F N 0.139 120.077 119.950 -0.021 0.000 2.084 511 F HA -0.139 4.388 4.527 -0.001 0.000 0.296 511 F C 2.111 177.916 175.800 0.008 0.000 1.111 511 F CA 1.750 59.739 58.000 -0.017 0.000 1.224 511 F CB -0.620 38.374 39.000 -0.011 0.000 0.991 511 F HN -0.012 nan 8.300 nan 0.000 0.471 512 S N -0.848 114.894 115.700 0.070 0.000 2.423 512 S HA -0.316 4.152 4.470 -0.003 0.000 0.238 512 S C 2.003 176.572 174.600 -0.052 0.000 1.028 512 S CA 1.609 59.805 58.200 -0.006 0.000 1.000 512 S CB -0.964 62.367 63.200 0.218 0.000 0.797 512 S HN 0.695 nan 8.310 nan 0.000 0.487 513 H N 1.902 120.888 119.070 -0.139 0.000 2.306 513 H HA 0.054 4.599 4.556 -0.017 0.000 0.307 513 H C 2.354 177.589 175.328 -0.156 0.000 1.061 513 H CA 1.167 57.139 56.048 -0.126 0.000 1.359 513 H CB -0.011 29.694 29.762 -0.095 0.000 1.407 513 H HN 0.373 nan 8.280 nan 0.000 0.517 514 R N 0.454 120.717 120.500 -0.394 0.000 2.357 514 R HA 0.033 4.371 4.340 -0.003 0.000 0.202 514 R C 0.751 176.839 176.300 -0.353 0.000 1.047 514 R CA 1.132 56.966 56.100 -0.443 0.000 1.034 514 R CB 0.021 30.137 30.300 -0.306 0.000 0.875 514 R HN 0.055 nan 8.270 nan 0.000 0.473 515 S N 0.009 115.472 115.700 -0.395 0.000 2.557 515 S HA 0.212 4.680 4.470 -0.003 0.000 0.223 515 S C 1.108 175.571 174.600 -0.229 0.000 0.969 515 S CA 0.179 58.151 58.200 -0.381 0.000 0.927 515 S CB 1.107 63.916 63.200 -0.653 0.000 0.806 515 S HN 0.697 nan 8.310 nan 0.000 0.489 516 G N 2.127 110.820 108.800 -0.178 0.000 2.205 516 G HA2 -0.314 3.644 3.960 -0.003 0.000 0.269 516 G HA3 -0.314 3.644 3.960 -0.003 0.000 0.269 516 G C 0.631 175.492 174.900 -0.065 0.000 0.977 516 G CA 0.872 45.916 45.100 -0.092 0.000 0.652 516 G HN 0.662 nan 8.290 nan 0.000 0.539 517 L N -1.576 119.593 121.223 -0.090 0.000 2.611 517 L HA 0.788 5.126 4.340 -0.003 0.000 0.229 517 L C 0.575 177.431 176.870 -0.023 0.000 1.137 517 L CA 0.316 55.117 54.840 -0.065 0.000 0.901 517 L CB -0.112 41.891 42.059 -0.094 0.000 1.098 517 L HN 0.497 nan 8.230 nan 0.000 0.456 518 S N -1.894 113.809 115.700 0.005 0.000 2.615 518 S HA 0.764 5.232 4.470 -0.003 0.000 0.268 518 S C -0.315 174.305 174.600 0.033 0.000 1.146 518 S CA -0.322 57.897 58.200 0.031 0.000 0.818 518 S CB 0.573 63.817 63.200 0.074 0.000 1.111 518 S HN 0.477 nan 8.310 nan 0.000 0.465 525 S N -0.401 115.335 115.700 0.060 0.000 2.704 525 S HA 0.663 5.131 4.470 -0.003 0.000 0.305 525 S C 1.028 175.655 174.600 0.045 0.000 1.107 525 S CA 0.074 58.300 58.200 0.044 0.000 0.993 525 S CB 2.304 65.527 63.200 0.038 0.000 1.110 525 S HN 0.026 nan 8.310 nan 0.000 0.534 526 V N 2.620 122.563 119.914 0.048 0.000 2.488 526 V HA -0.034 4.084 4.120 -0.003 0.000 0.246 526 V C 1.944 178.064 176.094 0.043 0.000 1.046 526 V CA 1.312 63.643 62.300 0.051 0.000 1.053 526 V CB -0.772 31.122 31.823 0.118 0.000 0.679 526 V HN 0.752 nan 8.190 nan 0.000 0.458 527 I N 0.331 120.921 120.570 0.033 0.000 2.252 527 I HA -0.180 3.988 4.170 -0.003 0.000 0.245 527 I C 2.211 178.319 176.117 -0.014 0.000 1.102 527 I CA 1.456 62.763 61.300 0.010 0.000 1.385 527 I CB -0.752 37.245 38.000 -0.005 0.000 1.064 527 I HN 0.247 nan 8.210 nan 0.000 0.414 528 D N 0.690 121.088 120.400 -0.004 0.000 2.104 528 D HA -0.178 4.460 4.640 -0.003 0.000 0.194 528 D C 2.405 178.741 176.300 0.059 0.000 0.994 528 D CA 1.568 55.552 54.000 -0.027 0.000 0.830 528 D CB -0.192 40.649 40.800 0.068 0.000 0.959 528 D HN 0.311 nan 8.370 nan 0.000 0.452 529 I N 0.354 121.028 120.570 0.174 0.000 2.127 529 I HA -0.305 3.863 4.170 -0.003 0.000 0.241 529 I C 2.445 178.700 176.117 0.230 0.000 1.075 529 I CA 0.840 62.304 61.300 0.274 0.000 1.334 529 I CB -0.133 37.860 38.000 -0.013 0.000 1.040 529 I HN -0.024 nan 8.210 nan 0.000 0.405 530 M N 0.317 119.986 119.600 0.114 0.000 2.108 530 M HA -0.194 4.284 4.480 -0.003 0.000 0.261 530 M C 2.324 178.730 176.300 0.177 0.000 1.066 530 M CA 2.080 57.479 55.300 0.165 0.000 1.107 530 M CB -0.836 31.849 32.600 0.141 0.000 1.356 530 M HN 0.160 nan 8.290 nan 0.000 0.406 531 T N -0.886 113.667 114.554 -0.001 0.000 2.708 531 T HA -0.167 4.181 4.350 -0.003 0.000 0.266 531 T C 1.668 176.303 174.700 -0.108 0.000 1.037 531 T CA 1.479 63.478 62.100 -0.169 0.000 1.146 531 T CB -0.523 68.144 68.868 -0.335 0.000 0.865 531 T HN 0.397 nan 8.240 nan 0.000 0.435 532 H N 0.868 119.985 119.070 0.079 0.000 2.457 532 H HA 0.046 4.601 4.556 -0.002 0.000 0.297 532 H C 2.255 177.687 175.328 0.174 0.000 1.092 532 H CA 0.859 56.945 56.048 0.063 0.000 1.309 532 H CB -0.392 29.334 29.762 -0.059 0.000 1.382 532 H HN 0.329 nan 8.280 nan 0.000 0.535 533 L N -0.234 121.242 121.223 0.421 0.000 2.049 533 L HA -0.063 4.275 4.340 -0.003 0.000 0.203 533 L C 2.949 180.035 176.870 0.361 0.000 1.074 533 L CA 0.794 55.921 54.840 0.480 0.000 0.749 533 L CB -0.617 41.758 42.059 0.527 0.000 0.907 533 L HN 0.171 nan 8.230 nan 0.000 0.439 534 A N 0.489 123.486 122.820 0.294 0.000 1.870 534 A HA -0.277 4.041 4.320 -0.003 0.000 0.219 534 A C 2.395 179.917 177.584 -0.103 0.000 1.224 534 A CA 2.004 53.964 52.037 -0.128 0.000 0.650 534 A CB -0.684 17.916 19.000 -0.666 0.000 0.836 534 A HN 0.303 nan 8.150 nan 0.000 0.454 535 R N -1.164 119.254 120.500 -0.138 0.000 2.122 535 R HA -0.188 4.150 4.340 -0.003 0.000 0.236 535 R C 2.468 178.778 176.300 0.017 0.000 1.129 535 R CA 1.697 57.721 56.100 -0.127 0.000 0.925 535 R CB -1.589 28.649 30.300 -0.104 0.000 0.850 535 R HN 0.578 nan 8.270 nan 0.000 0.431 536 G N 1.427 110.290 108.800 0.105 0.000 2.513 536 G HA2 -0.255 3.703 3.960 -0.003 0.000 0.219 536 G HA3 -0.255 3.703 3.960 -0.003 0.000 0.219 536 G C 1.632 176.601 174.900 0.115 0.000 1.160 536 G CA 0.728 45.951 45.100 0.204 0.000 0.767 536 G HN 0.209 nan 8.290 nan 0.000 0.571 537 L N -0.855 120.335 121.223 -0.056 0.000 2.217 537 L HA 0.031 4.369 4.340 -0.003 0.000 0.211 537 L C 2.599 179.372 176.870 -0.163 0.000 1.107 537 L CA 0.469 55.056 54.840 -0.421 0.000 0.783 537 L CB -0.259 41.622 42.059 -0.297 0.000 0.919 537 L HN 0.529 nan 8.230 nan 0.000 0.442 538 W N 1.538 122.729 121.300 -0.182 0.000 2.352 538 W HA -0.227 4.429 4.660 -0.006 0.000 0.322 538 W C 1.528 177.981 176.519 -0.111 0.000 1.208 538 W CA 1.331 58.588 57.345 -0.146 0.000 1.286 538 W CB -0.059 29.300 29.460 -0.168 0.000 1.167 538 W HN 0.104 nan 8.180 nan 0.000 0.469 539 L N 0.682 121.891 121.223 -0.023 0.000 2.611 539 L HA 0.355 4.693 4.340 -0.003 0.000 0.229 539 L C 2.126 179.033 176.870 0.062 0.000 1.137 539 L CA 1.123 55.935 54.840 -0.046 0.000 0.901 539 L CB -1.194 40.880 42.059 0.026 0.000 1.098 539 L HN 0.026 nan 8.230 nan 0.000 0.456 540 G N -1.328 107.493 108.800 0.035 0.000 2.641 540 G HA2 -0.010 3.948 3.960 -0.003 0.000 0.207 540 G HA3 -0.010 3.948 3.960 -0.003 0.000 0.207 540 G C 0.622 175.631 174.900 0.182 0.000 1.137 540 G CA -0.097 45.144 45.100 0.236 0.000 0.824 540 G HN 0.280 nan 8.290 nan 0.000 0.547 541 S N 2.648 118.280 115.700 -0.112 0.000 2.702 541 S HA 0.071 4.539 4.470 -0.003 0.000 0.314 541 S C -0.752 173.872 174.600 0.040 0.000 1.244 541 S CA -0.181 57.981 58.200 -0.065 0.000 1.058 541 S CB 1.664 64.748 63.200 -0.194 0.000 0.783 541 S HN 0.305 nan 8.310 nan 0.000 0.503 542 P HA 0.056 nan 4.420 nan 0.000 0.215 542 P C 0.731 178.042 177.300 0.019 0.000 1.157 542 P CA 1.149 64.295 63.100 0.076 0.000 0.859 542 P CB 0.195 31.950 31.700 0.092 0.000 0.786 543 G N -1.274 107.508 108.800 -0.031 0.000 2.570 543 G HA2 0.526 4.484 3.960 -0.003 0.000 0.310 543 G HA3 0.526 4.484 3.960 -0.003 0.000 0.310 543 G C -1.693 173.125 174.900 -0.137 0.000 1.266 543 G CA -0.749 44.289 45.100 -0.103 0.000 0.825 543 G HN 0.203 nan 8.290 nan 0.000 0.483 544 F N -1.745 118.096 119.950 -0.183 0.000 2.640 544 F HA 0.873 5.398 4.527 -0.004 0.000 0.324 544 F C -1.486 174.147 175.800 -0.278 0.000 1.077 544 F CA -2.042 55.758 58.000 -0.332 0.000 0.965 544 F CB 1.029 39.940 39.000 -0.149 0.000 1.351 544 F HN 0.451 nan 8.300 nan 0.000 0.487 545 Y N 0.020 120.478 120.300 0.263 0.000 2.419 545 Y HA 0.556 5.104 4.550 -0.003 0.000 0.328 545 Y C 0.340 176.382 175.900 0.237 0.000 1.162 545 Y CA -1.822 56.368 58.100 0.150 0.000 1.174 545 Y CB 1.563 40.086 38.460 0.106 0.000 1.228 545 Y HN 0.557 nan 8.280 nan 0.000 0.473 546 V N -0.466 119.636 119.914 0.312 0.000 2.611 546 V HA 0.345 4.463 4.120 -0.003 0.000 0.286 546 V C 0.009 176.195 176.094 0.153 0.000 1.118 546 V CA -0.908 61.529 62.300 0.228 0.000 1.334 546 V CB -0.647 31.282 31.823 0.176 0.000 1.555 546 V HN 0.782 nan 8.190 nan 0.000 0.594 559 P HA 0.396 nan 4.420 nan 0.000 0.335 559 P C -0.650 176.664 177.300 0.023 0.000 1.388 559 P CA 0.208 63.291 63.100 -0.029 0.000 0.859 559 P CB 0.497 32.170 31.700 -0.046 0.000 2.107 560 T N 0.623 115.196 114.554 0.032 0.000 2.791 560 T HA 0.448 4.796 4.350 -0.003 0.000 0.288 560 T C 0.130 174.732 174.700 -0.164 0.000 0.999 560 T CA -0.276 61.834 62.100 0.015 0.000 0.952 560 T CB 0.111 69.058 68.868 0.131 0.000 0.938 560 T HN 0.088 nan 8.240 nan 0.000 0.444 561 I N 6.939 127.265 120.570 -0.408 0.000 2.618 561 I HA 0.218 4.386 4.170 -0.003 0.000 0.284 561 I C -1.815 174.036 176.117 -0.443 0.000 1.146 561 I CA -2.005 59.009 61.300 -0.477 0.000 1.425 561 I CB 0.030 37.560 38.000 -0.784 0.000 1.383 561 I HN 0.332 nan 8.210 nan 0.000 0.562 562 P HA 0.207 nan 4.420 nan 0.000 0.296 562 P C -0.844 176.521 177.300 0.108 0.000 1.306 562 P CA -0.411 62.690 63.100 0.002 0.000 0.818 562 P CB 1.552 33.286 31.700 0.057 0.000 0.969 563 V N 6.120 126.092 119.914 0.095 0.000 2.334 563 V HA 0.093 4.210 4.120 -0.003 0.000 0.267 563 V C 1.002 177.099 176.094 0.005 0.000 1.040 563 V CA 0.077 62.467 62.300 0.149 0.000 0.866 563 V CB 0.293 32.219 31.823 0.172 0.000 1.019 563 V HN 0.472 nan 8.190 nan 0.000 0.468 564 L N 3.401 124.638 121.223 0.023 0.000 3.606 564 L HA 0.329 4.667 4.340 -0.003 0.000 0.336 564 L C 1.008 177.877 176.870 -0.001 0.000 1.300 564 L CA -0.124 54.724 54.840 0.014 0.000 1.050 564 L CB -0.990 41.134 42.059 0.107 0.000 1.439 564 L HN 0.443 nan 8.230 nan 0.000 0.621 565 Y N -0.544 119.854 120.300 0.163 0.000 2.716 565 Y HA 0.106 4.655 4.550 -0.002 0.000 0.302 565 Y C 1.841 177.799 175.900 0.097 0.000 1.160 565 Y CA 0.810 59.025 58.100 0.192 0.000 1.362 565 Y CB -0.691 37.842 38.460 0.122 0.000 0.988 565 Y HN 0.455 nan 8.280 nan 0.000 0.546 566 I N -1.361 118.986 120.570 -0.372 0.000 3.226 566 I HA -0.072 4.096 4.170 -0.003 0.000 0.277 566 I C 0.847 176.761 176.117 -0.338 0.000 1.243 566 I CA 0.501 61.555 61.300 -0.410 0.000 1.459 566 I CB -0.090 37.420 38.000 -0.818 0.000 1.093 566 I HN 0.101 nan 8.210 nan 0.000 0.453 567 Y N -0.008 120.168 120.300 -0.207 0.000 2.529 567 Y HA 0.033 4.579 4.550 -0.005 0.000 0.290 567 Y C 2.086 177.881 175.900 -0.174 0.000 1.177 567 Y CA 0.605 58.588 58.100 -0.195 0.000 1.305 567 Y CB -0.254 38.039 38.460 -0.278 0.000 1.047 567 Y HN 0.288 nan 8.280 nan 0.000 0.522 568 H N -0.404 118.729 119.070 0.104 0.000 2.562 568 H HA 0.193 4.747 4.556 -0.003 0.000 0.267 568 H C 0.529 175.901 175.328 0.074 0.000 0.959 568 H CA 0.104 56.207 56.048 0.091 0.000 1.204 568 H CB 0.307 30.130 29.762 0.102 0.000 1.430 568 H HN 0.181 nan 8.280 nan 0.000 0.545 569 R N 1.371 121.963 120.500 0.154 0.000 2.585 569 R HA -0.042 4.296 4.340 -0.003 0.000 0.275 569 R C 1.594 177.968 176.300 0.122 0.000 1.018 569 R CA 0.488 56.648 56.100 0.099 0.000 1.072 569 R CB 0.592 30.882 30.300 -0.016 0.000 0.953 569 R HN 0.247 nan 8.270 nan 0.000 0.419 570 S N 1.278 117.045 115.700 0.112 0.000 2.402 570 S HA -0.099 4.369 4.470 -0.003 0.000 0.233 570 S C 0.943 175.618 174.600 0.125 0.000 1.030 570 S CA 0.618 58.883 58.200 0.107 0.000 1.003 570 S CB 0.039 63.290 63.200 0.085 0.000 0.813 570 S HN 0.324 nan 8.310 nan 0.000 0.477 571 V N 2.462 122.486 119.914 0.184 0.000 2.398 571 V HA 0.491 4.609 4.120 -0.003 0.000 0.286 571 V C -0.386 175.887 176.094 0.300 0.000 1.026 571 V CA -0.814 61.617 62.300 0.218 0.000 0.868 571 V CB 1.578 33.558 31.823 0.263 0.000 0.982 571 V HN 0.277 nan 8.190 nan 0.000 0.443 572 Q N 1.686 121.575 119.800 0.148 0.000 2.248 572 Q HA 0.474 4.811 4.340 -0.003 0.000 0.263 572 Q C -0.443 175.544 176.000 -0.022 0.000 1.007 572 Q CA -0.442 55.438 55.803 0.127 0.000 0.877 572 Q CB 2.206 31.009 28.738 0.107 0.000 1.315 572 Q HN 0.837 nan 8.270 nan 0.000 0.454 573 C N 3.622 122.918 119.300 -0.006 0.000 3.414 573 C HA 0.395 4.853 4.460 -0.003 0.000 0.208 573 C C -1.535 173.491 174.990 0.060 0.000 1.422 573 C CA -1.710 57.266 59.018 -0.069 0.000 1.437 573 C CB -0.558 27.061 27.740 -0.202 0.000 1.850 573 C HN 0.576 nan 8.230 nan 0.000 0.481 574 P HA -0.156 nan 4.420 nan 0.000 0.216 574 P C 1.855 179.176 177.300 0.035 0.000 1.153 574 P CA 1.578 64.721 63.100 0.072 0.000 0.858 574 P CB 0.127 31.857 31.700 0.049 0.000 0.789 575 V N -1.222 118.692 119.914 0.000 0.000 2.311 575 V HA -0.290 3.828 4.120 -0.003 0.000 0.259 575 V C 2.228 178.306 176.094 -0.027 0.000 1.086 575 V CA 1.926 64.216 62.300 -0.016 0.000 1.078 575 V CB -1.066 30.734 31.823 -0.037 0.000 0.668 575 V HN 0.104 nan 8.190 nan 0.000 0.452 576 L N -3.197 117.988 121.223 -0.064 0.000 2.546 576 L HA 0.113 4.451 4.340 -0.003 0.000 0.185 576 L C 2.370 179.129 176.870 -0.185 0.000 1.247 576 L CA 0.642 55.375 54.840 -0.178 0.000 0.848 576 L CB -0.822 41.017 42.059 -0.367 0.000 1.133 576 L HN 0.131 nan 8.230 nan 0.000 0.504 577 Y N 0.997 121.316 120.300 0.032 0.000 2.114 577 Y HA -0.057 4.491 4.550 -0.003 0.000 0.282 577 Y C 1.744 177.722 175.900 0.131 0.000 1.165 577 Y CA 1.237 59.350 58.100 0.023 0.000 1.148 577 Y CB -1.083 37.269 38.460 -0.181 0.000 0.972 577 Y HN 0.440 nan 8.280 nan 0.000 0.504 578 G N -1.067 107.881 108.800 0.247 0.000 2.508 578 G HA2 -0.125 3.833 3.960 -0.003 0.000 0.220 578 G HA3 -0.125 3.833 3.960 -0.003 0.000 0.220 578 G C -0.363 174.706 174.900 0.281 0.000 1.287 578 G CA -0.331 44.890 45.100 0.202 0.000 0.916 578 G HN 0.334 nan 8.290 nan 0.000 0.574 579 S N -1.153 114.645 115.700 0.163 0.000 2.667 579 S HA 0.702 5.170 4.470 -0.003 0.000 0.292 579 S C 0.587 175.136 174.600 -0.084 0.000 1.126 579 S CA -0.490 57.758 58.200 0.081 0.000 0.881 579 S CB 1.686 64.907 63.200 0.034 0.000 1.132 579 S HN 0.851 nan 8.310 nan 0.000 0.492 580 L N 1.666 122.771 121.223 -0.196 0.000 2.928 580 L HA 0.341 4.679 4.340 -0.003 0.000 0.246 580 L C -0.118 176.650 176.870 -0.170 0.000 1.239 580 L CA -0.085 54.584 54.840 -0.285 0.000 1.035 580 L CB -0.651 41.137 42.059 -0.452 0.000 1.360 580 L HN 0.743 nan 8.230 nan 0.000 0.529 586 G N 4.373 113.156 108.800 -0.028 0.000 2.977 586 G HA2 -0.071 3.887 3.960 -0.003 0.000 0.308 586 G HA3 -0.071 3.887 3.960 -0.003 0.000 0.308 586 G C -1.221 173.647 174.900 -0.053 0.000 1.491 586 G CA 0.070 45.153 45.100 -0.028 0.000 0.971 586 G HN 0.649 nan 8.290 nan 0.000 0.557 587 P HA 0.096 nan 4.420 nan 0.000 0.218 587 P C 1.936 179.148 177.300 -0.146 0.000 1.147 587 P CA 1.328 64.350 63.100 -0.129 0.000 0.863 587 P CB 0.190 31.787 31.700 -0.171 0.000 0.812 588 V N 1.375 121.221 119.914 -0.113 0.000 2.302 588 V HA -0.107 4.011 4.120 -0.003 0.000 0.243 588 V C 2.922 179.042 176.094 0.042 0.000 1.036 588 V CA 2.038 64.310 62.300 -0.047 0.000 1.020 588 V CB -1.731 30.125 31.823 0.056 0.000 0.657 588 V HN 0.048 nan 8.190 nan 0.000 0.453 589 A N 1.288 124.147 122.820 0.065 0.000 1.915 589 A HA -0.327 3.991 4.320 -0.003 0.000 0.220 589 A C 2.538 180.094 177.584 -0.047 0.000 1.198 589 A CA 3.037 55.099 52.037 0.041 0.000 0.647 589 A CB -1.079 17.933 19.000 0.019 0.000 0.825 589 A HN 0.737 nan 8.150 nan 0.000 0.456 590 S N -0.155 115.516 115.700 -0.047 0.000 2.400 590 S HA -0.219 4.249 4.470 -0.003 0.000 0.232 590 S C 1.816 176.396 174.600 -0.034 0.000 1.025 590 S CA 1.524 59.691 58.200 -0.056 0.000 0.993 590 S CB -0.405 62.763 63.200 -0.053 0.000 0.808 590 S HN 0.664 nan 8.310 nan 0.000 0.478 591 K N 0.832 121.227 120.400 -0.008 0.000 2.026 591 K HA -0.010 4.308 4.320 -0.003 0.000 0.208 591 K C 2.218 178.838 176.600 0.033 0.000 1.048 591 K CA 1.493 57.797 56.287 0.029 0.000 0.929 591 K CB -0.629 31.920 32.500 0.082 0.000 0.713 591 K HN 0.317 nan 8.250 nan 0.000 0.439 592 V N 1.818 121.749 119.914 0.029 0.000 2.261 592 V HA -0.234 3.884 4.120 -0.003 0.000 0.246 592 V C 2.258 178.329 176.094 -0.038 0.000 1.047 592 V CA 1.409 63.714 62.300 0.008 0.000 1.015 592 V CB -0.501 31.332 31.823 0.017 0.000 0.642 592 V HN 0.232 nan 8.190 nan 0.000 0.446 593 L N 1.007 122.166 121.223 -0.106 0.000 2.081 593 L HA -0.168 4.170 4.340 -0.003 0.000 0.212 593 L C 2.447 179.316 176.870 -0.001 0.000 1.080 593 L CA 2.276 57.050 54.840 -0.110 0.000 0.754 593 L CB -1.112 40.845 42.059 -0.170 0.000 0.893 593 L HN 0.259 nan 8.230 nan 0.000 0.433 594 A N -0.502 122.314 122.820 -0.008 0.000 1.865 594 A HA -0.216 4.102 4.320 -0.003 0.000 0.217 594 A C 2.257 179.853 177.584 0.020 0.000 1.191 594 A CA 2.185 54.227 52.037 0.009 0.000 0.623 594 A CB -0.898 18.108 19.000 0.011 0.000 0.826 594 A HN 0.503 nan 8.150 nan 0.000 0.444 595 L N -2.369 118.867 121.223 0.023 0.000 1.994 595 L HA -0.215 4.123 4.340 -0.003 0.000 0.208 595 L C 2.595 179.466 176.870 0.003 0.000 1.071 595 L CA 2.046 56.896 54.840 0.018 0.000 0.745 595 L CB -0.990 41.076 42.059 0.013 0.000 0.892 595 L HN 0.561 nan 8.230 nan 0.000 0.431 596 Y N 1.395 121.599 120.300 -0.160 0.000 2.062 596 Y HA -0.378 4.171 4.550 -0.002 0.000 0.276 596 Y C 2.505 178.281 175.900 -0.205 0.000 1.189 596 Y CA 2.261 60.175 58.100 -0.310 0.000 1.130 596 Y CB -0.252 37.965 38.460 -0.405 0.000 0.959 596 Y HN 0.254 nan 8.280 nan 0.000 0.499 597 E N -0.211 119.946 120.200 -0.072 0.000 2.046 597 E HA -0.178 4.170 4.350 -0.003 0.000 0.190 597 E C 2.088 178.641 176.600 -0.079 0.000 0.982 597 E CA 1.271 57.612 56.400 -0.099 0.000 0.800 597 E CB -0.228 29.477 29.700 0.009 0.000 0.756 597 E HN 0.469 nan 8.360 nan 0.000 0.449 598 K N 0.671 121.052 120.400 -0.031 0.000 2.218 598 K HA -0.133 4.185 4.320 -0.003 0.000 0.205 598 K C 2.041 178.645 176.600 0.006 0.000 1.046 598 K CA 0.851 57.139 56.287 0.002 0.000 0.933 598 K CB -0.077 32.434 32.500 0.017 0.000 0.728 598 K HN 0.182 nan 8.250 nan 0.000 0.454 599 I N 0.565 121.111 120.570 -0.040 0.000 2.876 599 I HA -0.130 4.038 4.170 -0.003 0.000 0.264 599 I C 1.370 177.486 176.117 -0.002 0.000 1.204 599 I CA 0.654 61.936 61.300 -0.031 0.000 1.485 599 I CB 0.345 38.358 38.000 0.022 0.000 1.103 599 I HN 0.122 nan 8.210 nan 0.000 0.446 600 L N -0.118 121.062 121.223 -0.071 0.000 2.585 600 L HA 0.202 4.539 4.340 -0.003 0.000 0.226 600 L C 2.309 179.188 176.870 0.015 0.000 1.113 600 L CA 0.342 55.154 54.840 -0.047 0.000 0.876 600 L CB -0.239 41.706 42.059 -0.190 0.000 1.072 600 L HN 0.132 nan 8.230 nan 0.000 0.468 601 A N -0.757 122.082 122.820 0.031 0.000 2.123 601 A HA -0.097 4.221 4.320 -0.003 0.000 0.214 601 A C 1.211 178.846 177.584 0.084 0.000 1.152 601 A CA 0.249 52.310 52.037 0.041 0.000 0.728 601 A CB -0.286 18.733 19.000 0.032 0.000 0.814 601 A HN 0.296 nan 8.150 nan 0.000 0.464 602 Y N 0.310 120.595 120.300 -0.026 0.000 2.527 602 Y HA 0.298 4.846 4.550 -0.003 0.000 0.461 602 Y C 0.447 176.330 175.900 -0.029 0.000 1.330 602 Y CA 1.135 59.222 58.100 -0.021 0.000 2.062 602 Y CB 0.242 38.694 38.460 -0.012 0.000 1.757 602 Y HN 0.330 nan 8.280 nan 0.000 0.696 603 E N -0.139 119.914 120.200 -0.244 0.000 3.786 603 E HA 0.151 4.499 4.350 -0.003 0.000 0.367 603 E C -1.675 174.707 176.600 -0.364 0.000 1.072 603 E CA -0.110 56.165 56.400 -0.207 0.000 0.852 603 E CB 0.236 29.817 29.700 -0.198 0.000 1.231 603 E HN 0.526 nan 8.360 nan 0.000 0.510 604 S N 2.260 117.866 115.700 -0.157 0.000 2.565 604 S HA 0.279 4.747 4.470 -0.003 0.000 0.276 604 S C 1.011 175.506 174.600 -0.175 0.000 1.326 604 S CA 0.280 58.413 58.200 -0.112 0.000 1.045 604 S CB 0.626 63.807 63.200 -0.030 0.000 0.918 604 S HN 0.804 nan 8.310 nan 0.000 0.505 605 S N 3.281 118.919 115.700 -0.103 0.000 2.711 605 S HA 0.109 4.577 4.470 -0.003 0.000 0.237 605 S C 1.384 175.941 174.600 -0.071 0.000 0.971 605 S CA 0.340 58.489 58.200 -0.085 0.000 0.964 605 S CB -1.377 61.797 63.200 -0.043 0.000 0.775 605 S HN 1.923 nan 8.310 nan 0.000 0.540 606 G N 0.450 109.186 108.800 -0.107 0.000 2.305 606 G HA2 -0.122 3.836 3.960 -0.003 0.000 0.287 606 G HA3 -0.122 3.836 3.960 -0.003 0.000 0.287 606 G C 0.415 175.318 174.900 0.005 0.000 1.036 606 G CA 0.006 45.064 45.100 -0.071 0.000 0.887 606 G HN 1.069 nan 8.290 nan 0.000 0.505 607 G N -0.824 107.994 108.800 0.030 0.000 2.621 607 G HA2 0.556 4.514 3.960 -0.003 0.000 0.271 607 G HA3 0.556 4.514 3.960 -0.003 0.000 0.271 607 G C 1.207 176.140 174.900 0.055 0.000 1.236 607 G CA 0.611 45.732 45.100 0.035 0.000 0.958 607 G HN 1.126 nan 8.290 nan 0.000 0.512 608 S N -1.070 114.649 115.700 0.032 0.000 2.660 608 S HA 0.006 4.474 4.470 -0.003 0.000 0.228 608 S C 1.516 176.127 174.600 0.018 0.000 0.966 608 S CA 0.555 58.770 58.200 0.025 0.000 0.940 608 S CB 0.026 63.234 63.200 0.012 0.000 0.773 608 S HN 0.600 nan 8.310 nan 0.000 0.535 609 K N 0.881 121.301 120.400 0.032 0.000 2.141 609 K HA 0.042 4.360 4.320 -0.003 0.000 0.202 609 K C 1.991 178.605 176.600 0.024 0.000 1.045 609 K CA 0.943 57.239 56.287 0.016 0.000 0.971 609 K CB -0.362 32.153 32.500 0.024 0.000 0.795 609 K HN 0.425 nan 8.250 nan 0.000 0.459 610 H N 1.429 120.490 119.070 -0.015 0.000 2.457 610 H HA -0.056 4.498 4.556 -0.004 0.000 0.297 610 H C 1.698 177.012 175.328 -0.022 0.000 1.092 610 H CA 1.303 57.342 56.048 -0.014 0.000 1.309 610 H CB 0.126 29.888 29.762 0.000 0.000 1.382 610 H HN 0.038 nan 8.280 nan 0.000 0.535 611 I N 0.314 120.883 120.570 -0.003 0.000 2.286 611 I HA -0.117 4.051 4.170 -0.003 0.000 0.245 611 I C 2.652 178.713 176.117 -0.094 0.000 1.104 611 I CA 1.233 62.507 61.300 -0.044 0.000 1.397 611 I CB -1.738 36.269 38.000 0.011 0.000 1.072 611 I HN 0.430 nan 8.210 nan 0.000 0.417 612 A N 1.071 123.842 122.820 -0.081 0.000 1.898 612 A HA -0.070 4.248 4.320 -0.003 0.000 0.216 612 A C 2.601 180.086 177.584 -0.166 0.000 1.181 612 A CA 1.872 53.846 52.037 -0.104 0.000 0.620 612 A CB -0.784 18.163 19.000 -0.089 0.000 0.819 612 A HN 0.394 nan 8.150 nan 0.000 0.442 613 A N -0.573 122.137 122.820 -0.185 0.000 1.865 613 A HA -0.274 4.044 4.320 -0.003 0.000 0.217 613 A C 2.150 179.588 177.584 -0.245 0.000 1.191 613 A CA 1.859 53.761 52.037 -0.225 0.000 0.623 613 A CB -0.712 18.150 19.000 -0.230 0.000 0.826 613 A HN 0.652 nan 8.150 nan 0.000 0.444 614 Q N -0.861 118.765 119.800 -0.290 0.000 2.030 614 Q HA -0.186 4.152 4.340 -0.003 0.000 0.204 614 Q C 2.435 178.357 176.000 -0.129 0.000 0.986 614 Q CA 2.462 58.131 55.803 -0.223 0.000 0.843 614 Q CB -0.595 28.015 28.738 -0.214 0.000 0.904 614 Q HN 0.917 nan 8.270 nan 0.000 0.420 615 T N -1.391 113.098 114.554 -0.109 0.000 2.759 615 T HA -0.129 4.219 4.350 -0.003 0.000 0.269 615 T C 1.975 176.639 174.700 -0.060 0.000 1.042 615 T CA 1.480 63.545 62.100 -0.057 0.000 1.140 615 T CB -0.674 68.173 68.868 -0.036 0.000 0.864 615 T HN 0.058 nan 8.240 nan 0.000 0.455 616 V N 1.878 121.696 119.914 -0.160 0.000 2.427 616 V HA -0.149 3.969 4.120 -0.003 0.000 0.248 616 V C 3.076 179.109 176.094 -0.102 0.000 1.051 616 V CA 1.766 63.919 62.300 -0.244 0.000 1.048 616 V CB -1.095 30.459 31.823 -0.449 0.000 0.666 616 V HN 0.705 nan 8.190 nan 0.000 0.456 617 S N 0.722 116.359 115.700 -0.104 0.000 2.365 617 S HA -0.280 4.188 4.470 -0.003 0.000 0.225 617 S C 2.082 176.685 174.600 0.005 0.000 1.039 617 S CA 1.958 60.120 58.200 -0.063 0.000 1.033 617 S CB -0.284 62.873 63.200 -0.072 0.000 0.887 617 S HN 0.653 nan 8.310 nan 0.000 0.447 618 R N 0.402 120.914 120.500 0.021 0.000 2.275 618 R HA 0.233 4.570 4.340 -0.003 0.000 0.199 618 R C 1.063 177.423 176.300 0.101 0.000 0.989 618 R CA 0.689 56.822 56.100 0.054 0.000 1.016 618 R CB -0.074 30.249 30.300 0.039 0.000 0.918 618 R HN 0.277 nan 8.270 nan 0.000 0.473 619 S N 1.043 116.831 115.700 0.146 0.000 2.602 619 S HA 0.217 4.685 4.470 -0.003 0.000 0.246 619 S C 1.113 175.900 174.600 0.311 0.000 1.009 619 S CA -0.058 58.282 58.200 0.234 0.000 1.052 619 S CB 0.103 63.526 63.200 0.373 0.000 0.778 619 S HN 0.227 nan 8.310 nan 0.000 0.455 620 L N 0.394 121.780 121.223 0.271 0.000 2.513 620 L HA 0.276 4.614 4.340 -0.003 0.000 0.222 620 L C 1.652 178.780 176.870 0.430 0.000 1.096 620 L CA 0.244 55.323 54.840 0.398 0.000 0.857 620 L CB -0.486 41.742 42.059 0.283 0.000 1.026 620 L HN 0.413 nan 8.230 nan 0.000 0.469 621 A N 0.339 123.317 122.820 0.264 0.000 2.790 621 A HA -0.178 4.140 4.320 -0.003 0.000 0.277 621 A C 0.203 177.886 177.584 0.164 0.000 1.435 621 A CA 0.975 53.133 52.037 0.202 0.000 0.877 621 A CB -2.069 17.079 19.000 0.247 0.000 1.007 621 A HN 0.196 nan 8.150 nan 0.000 0.613 622 V N 0.840 120.863 119.914 0.182 0.000 2.686 622 V HA 0.529 4.647 4.120 -0.003 0.000 0.306 622 V C -2.247 173.908 176.094 0.102 0.000 1.065 622 V CA -0.877 61.506 62.300 0.139 0.000 0.894 622 V CB 2.358 34.299 31.823 0.197 0.000 1.004 622 V HN 0.404 nan 8.190 nan 0.000 0.424 623 P HA 0.242 nan 4.420 nan 0.000 0.273 623 P C -0.458 176.868 177.300 0.043 0.000 1.428 623 P CA -0.049 63.083 63.100 0.054 0.000 0.995 623 P CB 0.398 32.126 31.700 0.047 0.000 1.286 624 I N 3.020 123.610 120.570 0.032 0.000 2.612 624 I HA 0.476 4.644 4.170 -0.003 0.000 0.295 624 I C -2.144 173.977 176.117 0.007 0.000 1.011 624 I CA -2.975 58.327 61.300 0.004 0.000 1.326 624 I CB -0.022 37.970 38.000 -0.014 0.000 1.427 624 I HN 0.138 nan 8.210 nan 0.000 0.537 625 P HA 0.042 nan 4.420 nan 0.000 0.268 625 P C -0.029 177.299 177.300 0.047 0.000 1.208 625 P CA -0.046 63.068 63.100 0.022 0.000 0.777 625 P CB 0.331 32.039 31.700 0.014 0.000 0.875 626 S N 0.263 116.000 115.700 0.062 0.000 2.587 626 S HA 0.304 4.772 4.470 -0.003 0.000 0.260 626 S C 1.255 175.907 174.600 0.087 0.000 1.353 626 S CA 0.070 58.309 58.200 0.065 0.000 0.995 626 S CB -0.797 62.438 63.200 0.057 0.000 0.912 626 S HN 0.953 nan 8.310 nan 0.000 0.568 627 G N -0.103 108.746 108.800 0.082 0.000 2.422 627 G HA2 -0.242 3.716 3.960 -0.003 0.000 0.301 627 G HA3 -0.242 3.716 3.960 -0.003 0.000 0.301 627 G C 0.395 175.382 174.900 0.145 0.000 0.981 627 G CA 0.685 45.845 45.100 0.100 0.000 0.994 627 G HN 1.119 nan 8.290 nan 0.000 0.514 628 T N -1.182 113.459 114.554 0.146 0.000 3.016 628 T HA 0.276 4.624 4.350 -0.003 0.000 0.271 628 T C 2.425 177.234 174.700 0.181 0.000 0.968 628 T CA 0.480 62.703 62.100 0.205 0.000 0.891 628 T CB -0.114 68.849 68.868 0.158 0.000 1.149 628 T HN 0.201 nan 8.240 nan 0.000 0.524 629 I N 3.619 124.258 120.570 0.115 0.000 2.099 629 I HA -0.047 4.121 4.170 -0.003 0.000 0.239 629 I C -0.310 175.854 176.117 0.078 0.000 1.066 629 I CA 1.429 62.771 61.300 0.071 0.000 1.324 629 I CB -2.474 35.556 38.000 0.050 0.000 1.037 629 I HN 0.259 nan 8.210 nan 0.000 0.401 630 P HA -0.271 nan 4.420 nan 0.000 0.216 630 P C 2.014 179.390 177.300 0.127 0.000 1.157 630 P CA 1.926 65.089 63.100 0.104 0.000 0.880 630 P CB -0.403 31.358 31.700 0.102 0.000 0.791 631 F N 0.800 120.743 119.950 -0.011 0.000 2.186 631 F HA -0.104 4.421 4.527 -0.003 0.000 0.299 631 F C 2.208 177.995 175.800 -0.021 0.000 1.090 631 F CA 0.709 58.679 58.000 -0.050 0.000 1.307 631 F CB -1.253 37.759 39.000 0.019 0.000 1.019 631 F HN -0.251 nan 8.300 nan 0.000 0.489 632 L N 0.816 121.983 121.223 -0.094 0.000 2.012 632 L HA -0.220 4.118 4.340 -0.003 0.000 0.210 632 L C 2.239 178.971 176.870 -0.231 0.000 1.073 632 L CA 1.793 56.498 54.840 -0.227 0.000 0.748 632 L CB -1.152 40.844 42.059 -0.106 0.000 0.891 632 L HN 0.143 nan 8.230 nan 0.000 0.431 633 I N -0.376 120.113 120.570 -0.135 0.000 2.151 633 I HA -0.281 3.887 4.170 -0.003 0.000 0.243 633 I C 2.663 178.708 176.117 -0.119 0.000 1.080 633 I CA 1.229 62.453 61.300 -0.128 0.000 1.339 633 I CB -1.597 36.358 38.000 -0.076 0.000 1.039 633 I HN 0.346 nan 8.210 nan 0.000 0.409 634 R N 1.051 121.486 120.500 -0.109 0.000 2.097 634 R HA -0.112 4.226 4.340 -0.003 0.000 0.236 634 R C 2.349 178.531 176.300 -0.197 0.000 1.135 634 R CA 1.226 57.260 56.100 -0.109 0.000 0.934 634 R CB -1.158 29.078 30.300 -0.106 0.000 0.846 634 R HN 0.408 nan 8.270 nan 0.000 0.431 635 L N 1.002 122.017 121.223 -0.347 0.000 2.447 635 L HA -0.144 4.193 4.340 -0.003 0.000 0.225 635 L C 2.319 179.059 176.870 -0.217 0.000 1.148 635 L CA 0.690 55.336 54.840 -0.324 0.000 0.808 635 L CB -0.360 41.411 42.059 -0.481 0.000 0.928 635 L HN 0.151 nan 8.230 nan 0.000 0.448 636 L N -1.296 119.806 121.223 -0.203 0.000 2.168 636 L HA -0.097 4.240 4.340 -0.003 0.000 0.203 636 L C 2.615 179.408 176.870 -0.128 0.000 1.078 636 L CA 0.701 55.431 54.840 -0.183 0.000 0.780 636 L CB -0.313 41.621 42.059 -0.208 0.000 0.939 636 L HN 0.257 nan 8.230 nan 0.000 0.451 637 Q N 0.398 120.143 119.800 -0.091 0.000 2.096 637 Q HA -0.218 4.120 4.340 -0.003 0.000 0.204 637 Q C 2.233 178.218 176.000 -0.024 0.000 0.982 637 Q CA 1.672 57.453 55.803 -0.036 0.000 0.850 637 Q CB -0.237 28.518 28.738 0.029 0.000 0.901 637 Q HN 0.546 nan 8.270 nan 0.000 0.422 638 I N 0.720 121.266 120.570 -0.040 0.000 2.286 638 I HA -0.244 3.924 4.170 -0.003 0.000 0.248 638 I C 2.431 178.574 176.117 0.043 0.000 1.115 638 I CA 0.990 62.286 61.300 -0.006 0.000 1.392 638 I CB -0.568 37.410 38.000 -0.037 0.000 1.065 638 I HN 0.112 nan 8.210 nan 0.000 0.418 639 A N 1.083 123.900 122.820 -0.005 0.000 2.015 639 A HA -0.052 4.265 4.320 -0.003 0.000 0.219 639 A C 2.292 179.860 177.584 -0.026 0.000 1.163 639 A CA 1.270 53.309 52.037 0.002 0.000 0.646 639 A CB -0.575 18.367 19.000 -0.096 0.000 0.806 639 A HN 0.404 nan 8.150 nan 0.000 0.448 640 L N -0.064 121.136 121.223 -0.038 0.000 2.127 640 L HA 0.006 4.344 4.340 -0.003 0.000 0.203 640 L C 1.643 178.528 176.870 0.025 0.000 1.080 640 L CA 0.898 55.709 54.840 -0.049 0.000 0.768 640 L CB -0.805 41.214 42.059 -0.067 0.000 0.924 640 L HN 0.466 nan 8.230 nan 0.000 0.444 641 T N -1.509 113.078 114.554 0.055 0.000 2.902 641 T HA 0.089 4.437 4.350 -0.003 0.000 0.301 641 T C -1.672 173.125 174.700 0.162 0.000 1.012 641 T CA -1.432 60.707 62.100 0.065 0.000 1.151 641 T CB 0.724 69.628 68.868 0.060 0.000 0.946 641 T HN -0.048 nan 8.240 nan 0.000 0.542 642 P HA -0.236 nan 4.420 nan 0.000 0.215 642 P C 1.303 178.574 177.300 -0.048 0.000 1.113 642 P CA 1.049 64.199 63.100 0.084 0.000 0.888 642 P CB -0.202 31.368 31.700 -0.216 0.000 0.553 643 H N -1.215 117.844 119.070 -0.018 0.000 2.509 643 H HA -0.132 4.422 4.556 -0.004 0.000 0.290 643 H C 1.881 177.136 175.328 -0.122 0.000 1.125 643 H CA 1.637 57.626 56.048 -0.099 0.000 1.156 643 H CB -1.404 28.337 29.762 -0.036 0.000 1.341 643 H HN 0.037 nan 8.280 nan 0.000 0.522 644 V N 0.912 120.855 119.914 0.049 0.000 2.535 644 V HA -0.201 3.917 4.120 -0.003 0.000 0.246 644 V C 2.112 178.242 176.094 0.060 0.000 1.045 644 V CA 1.449 63.786 62.300 0.062 0.000 1.058 644 V CB -0.938 30.939 31.823 0.090 0.000 0.689 644 V HN 0.487 nan 8.190 nan 0.000 0.461 645 Y N 0.874 121.209 120.300 0.058 0.000 2.680 645 Y HA -0.007 4.541 4.550 -0.004 0.000 0.303 645 Y C 2.113 178.044 175.900 0.052 0.000 1.166 645 Y CA 0.004 58.132 58.100 0.046 0.000 1.344 645 Y CB -0.898 37.575 38.460 0.022 0.000 1.002 645 Y HN 0.153 nan 8.280 nan 0.000 0.537 646 Q N 1.888 121.539 119.800 -0.249 0.000 2.029 646 Q HA -0.225 4.112 4.340 -0.003 0.000 0.209 646 Q C 1.900 177.890 176.000 -0.018 0.000 0.999 646 Q CA 2.356 58.046 55.803 -0.189 0.000 0.857 646 Q CB -0.362 28.293 28.738 -0.138 0.000 0.926 646 Q HN 0.646 nan 8.270 nan 0.000 0.415 647 K N 0.172 120.571 120.400 -0.000 0.000 2.103 647 K HA 0.014 4.332 4.320 -0.003 0.000 0.204 647 K C 2.387 178.958 176.600 -0.048 0.000 1.052 647 K CA 0.387 56.627 56.287 -0.079 0.000 0.945 647 K CB -0.114 32.252 32.500 -0.224 0.000 0.722 647 K HN 0.087 nan 8.250 nan 0.000 0.443 648 L N 1.432 122.704 121.223 0.082 0.000 2.013 648 L HA -0.250 4.088 4.340 -0.003 0.000 0.212 648 L C 2.724 179.651 176.870 0.095 0.000 1.073 648 L CA 1.470 56.377 54.840 0.112 0.000 0.753 648 L CB -0.419 41.730 42.059 0.149 0.000 0.890 648 L HN 0.320 nan 8.230 nan 0.000 0.432 649 E N 0.343 120.638 120.200 0.160 0.000 2.058 649 E HA -0.296 4.052 4.350 -0.003 0.000 0.194 649 E C 2.253 178.920 176.600 0.111 0.000 0.997 649 E CA 1.668 58.168 56.400 0.167 0.000 0.801 649 E CB -0.125 29.741 29.700 0.276 0.000 0.746 649 E HN 0.305 nan 8.360 nan 0.000 0.450 650 L N 1.016 122.283 121.223 0.073 0.000 2.013 650 L HA -0.214 4.124 4.340 -0.003 0.000 0.212 650 L C 2.449 179.357 176.870 0.063 0.000 1.073 650 L CA 1.637 56.505 54.840 0.046 0.000 0.753 650 L CB -0.702 41.351 42.059 -0.009 0.000 0.890 650 L HN 0.267 nan 8.230 nan 0.000 0.432 651 L N -0.408 120.842 121.223 0.044 0.000 2.056 651 L HA 0.023 4.361 4.340 -0.003 0.000 0.207 651 L C 2.353 179.303 176.870 0.132 0.000 1.078 651 L CA 1.971 56.870 54.840 0.098 0.000 0.749 651 L CB -1.267 40.831 42.059 0.065 0.000 0.901 651 L HN 0.334 nan 8.230 nan 0.000 0.433 652 G N -1.182 107.675 108.800 0.095 0.000 2.446 652 G HA2 -0.336 3.622 3.960 -0.003 0.000 0.217 652 G HA3 -0.336 3.622 3.960 -0.003 0.000 0.217 652 G C 1.430 176.423 174.900 0.155 0.000 1.168 652 G CA 0.816 45.983 45.100 0.112 0.000 0.771 652 G HN 0.450 nan 8.290 nan 0.000 0.551 653 D N 1.083 121.565 120.400 0.136 0.000 2.106 653 D HA -0.155 4.483 4.640 -0.003 0.000 0.191 653 D C 2.818 179.185 176.300 0.112 0.000 0.997 653 D CA 1.534 55.609 54.000 0.126 0.000 0.834 653 D CB -0.334 40.530 40.800 0.108 0.000 0.956 653 D HN 0.233 nan 8.370 nan 0.000 0.448 654 A N 0.314 123.216 122.820 0.137 0.000 1.851 654 A HA -0.211 4.107 4.320 -0.003 0.000 0.216 654 A C 2.283 179.918 177.584 0.084 0.000 1.195 654 A CA 1.665 53.800 52.037 0.163 0.000 0.622 654 A CB -1.348 17.824 19.000 0.287 0.000 0.831 654 A HN 0.394 nan 8.150 nan 0.000 0.444 655 F N 0.239 120.093 119.950 -0.160 0.000 2.095 655 F HA -0.176 4.349 4.527 -0.004 0.000 0.298 655 F C 1.898 177.561 175.800 -0.227 0.000 1.104 655 F CA 1.821 59.528 58.000 -0.489 0.000 1.232 655 F CB -0.445 38.209 39.000 -0.576 0.000 0.987 655 F HN 0.206 nan 8.300 nan 0.000 0.475 656 L N 1.226 122.402 121.223 -0.078 0.000 2.013 656 L HA -0.247 4.091 4.340 -0.003 0.000 0.212 656 L C 2.459 179.237 176.870 -0.154 0.000 1.073 656 L CA 2.244 57.035 54.840 -0.082 0.000 0.753 656 L CB -1.229 40.902 42.059 0.120 0.000 0.890 656 L HN 0.273 nan 8.230 nan 0.000 0.432 657 K N -1.380 118.965 120.400 -0.092 0.000 2.063 657 K HA -0.239 4.079 4.320 -0.003 0.000 0.208 657 K C 2.332 178.850 176.600 -0.137 0.000 1.048 657 K CA 1.832 58.077 56.287 -0.070 0.000 0.928 657 K CB -0.548 31.943 32.500 -0.015 0.000 0.713 657 K HN 0.598 nan 8.250 nan 0.000 0.442 658 C N 0.139 119.298 119.300 -0.235 0.000 2.462 658 C HA -0.061 4.397 4.460 -0.003 0.000 0.278 658 C C 2.997 177.779 174.990 -0.346 0.000 1.253 658 C CA 1.440 60.283 59.018 -0.292 0.000 1.713 658 C CB -0.892 26.643 27.740 -0.342 0.000 2.049 658 C HN 0.686 nan 8.230 nan 0.000 0.477 659 S N 0.092 115.454 115.700 -0.563 0.000 2.377 659 S HA -0.203 4.264 4.470 -0.003 0.000 0.224 659 S C 1.811 176.396 174.600 -0.025 0.000 1.042 659 S CA 2.269 60.224 58.200 -0.407 0.000 1.086 659 S CB -0.623 62.222 63.200 -0.592 0.000 0.995 659 S HN 0.652 nan 8.310 nan 0.000 0.428 660 L N 1.233 122.441 121.223 -0.026 0.000 1.963 660 L HA -0.222 4.116 4.340 -0.003 0.000 0.220 660 L C 2.977 179.878 176.870 0.051 0.000 1.076 660 L CA 1.637 56.506 54.840 0.049 0.000 0.772 660 L CB -1.027 41.032 42.059 0.001 0.000 0.892 660 L HN 0.515 nan 8.230 nan 0.000 0.435 661 A N -0.211 122.605 122.820 -0.007 0.000 1.929 661 A HA -0.307 4.011 4.320 -0.003 0.000 0.221 661 A C 2.300 179.901 177.584 0.028 0.000 1.211 661 A CA 2.370 54.407 52.037 0.001 0.000 0.657 661 A CB -1.010 17.957 19.000 -0.055 0.000 0.827 661 A HN 0.472 nan 8.150 nan 0.000 0.462 662 L N -1.831 119.380 121.223 -0.020 0.000 1.976 662 L HA -0.235 4.103 4.340 -0.003 0.000 0.209 662 L C 2.587 179.453 176.870 -0.006 0.000 1.071 662 L CA 2.358 57.192 54.840 -0.009 0.000 0.746 662 L CB -0.526 41.481 42.059 -0.086 0.000 0.890 662 L HN 0.597 nan 8.230 nan 0.000 0.432 663 H N -0.566 118.505 119.070 0.001 0.000 2.426 663 H HA -0.201 4.353 4.556 -0.003 0.000 0.298 663 H C 2.162 177.449 175.328 -0.069 0.000 1.107 663 H CA 1.905 57.935 56.048 -0.029 0.000 1.298 663 H CB -0.034 29.700 29.762 -0.048 0.000 1.377 663 H HN 0.303 nan 8.280 nan 0.000 0.519 664 L N -1.078 120.190 121.223 0.074 0.000 2.049 664 L HA -0.143 4.195 4.340 -0.003 0.000 0.203 664 L C 2.407 179.267 176.870 -0.017 0.000 1.074 664 L CA 1.388 56.226 54.840 -0.003 0.000 0.749 664 L CB -0.645 41.482 42.059 0.112 0.000 0.907 664 L HN 0.351 nan 8.230 nan 0.000 0.439 665 H N 0.616 119.674 119.070 -0.020 0.000 2.362 665 H HA -0.242 4.312 4.556 -0.004 0.000 0.294 665 H C 2.071 177.370 175.328 -0.047 0.000 1.113 665 H CA 2.057 58.102 56.048 -0.005 0.000 1.253 665 H CB 0.085 29.859 29.762 0.019 0.000 1.363 665 H HN 0.333 nan 8.280 nan 0.000 0.494 666 A N 0.076 122.856 122.820 -0.066 0.000 1.872 666 A HA -0.018 4.300 4.320 -0.003 0.000 0.214 666 A C 2.621 180.067 177.584 -0.231 0.000 1.187 666 A CA 1.192 53.142 52.037 -0.144 0.000 0.614 666 A CB -0.759 18.203 19.000 -0.063 0.000 0.826 666 A HN 0.462 nan 8.150 nan 0.000 0.442 667 L N -0.769 120.282 121.223 -0.287 0.000 2.131 667 L HA -0.101 4.237 4.340 -0.003 0.000 0.210 667 L C 0.402 176.917 176.870 -0.591 0.000 1.092 667 L CA 0.751 55.298 54.840 -0.487 0.000 0.759 667 L CB -0.220 41.408 42.059 -0.718 0.000 0.903 667 L HN 0.455 nan 8.230 nan 0.000 0.435 668 H N -1.111 117.882 119.070 -0.129 0.000 2.348 668 H HA 0.205 4.759 4.556 -0.003 0.000 0.232 668 H C -1.715 173.488 175.328 -0.208 0.000 1.419 668 H CA -2.204 53.757 56.048 -0.146 0.000 1.416 668 H CB 0.254 29.974 29.762 -0.070 0.000 1.510 668 H HN 0.084 nan 8.280 nan 0.000 0.507 669 P HA -0.146 nan 4.420 nan 0.000 0.223 669 P C 1.289 178.491 177.300 -0.164 0.000 1.144 669 P CA 1.292 64.155 63.100 -0.394 0.000 0.783 669 P CB 0.176 31.266 31.700 -1.017 0.000 0.771 670 T N -4.349 110.152 114.554 -0.088 0.000 3.014 670 T HA 0.188 4.536 4.350 -0.003 0.000 0.250 670 T C 1.009 175.730 174.700 0.036 0.000 1.060 670 T CA -0.224 61.885 62.100 0.014 0.000 1.040 670 T CB -0.501 68.379 68.868 0.020 0.000 0.971 670 T HN -0.058 nan 8.240 nan 0.000 0.497 671 L N 2.846 124.089 121.223 0.033 0.000 2.472 671 L HA 0.425 4.763 4.340 -0.003 0.000 0.260 671 L C 1.253 178.167 176.870 0.073 0.000 1.209 671 L CA -0.584 54.280 54.840 0.041 0.000 0.817 671 L CB 0.685 42.763 42.059 0.031 0.000 1.106 671 L HN 0.358 nan 8.230 nan 0.000 0.479 672 T N -3.522 111.072 114.554 0.067 0.000 2.819 672 T HA 0.186 4.534 4.350 -0.003 0.000 0.271 672 T C 0.791 175.544 174.700 0.087 0.000 0.986 672 T CA -0.632 61.520 62.100 0.087 0.000 0.989 672 T CB 1.282 70.194 68.868 0.072 0.000 1.396 672 T HN 0.681 nan 8.240 nan 0.000 0.597 673 E N 0.560 120.814 120.200 0.091 0.000 2.019 673 E HA -0.204 4.144 4.350 -0.003 0.000 0.208 673 E C 2.200 178.836 176.600 0.061 0.000 1.030 673 E CA 2.018 58.468 56.400 0.083 0.000 0.856 673 E CB -1.233 28.519 29.700 0.085 0.000 0.781 673 E HN 0.782 nan 8.360 nan 0.000 0.471 674 G N 0.778 109.607 108.800 0.048 0.000 2.631 674 G HA2 -0.395 3.563 3.960 -0.003 0.000 0.219 674 G HA3 -0.395 3.563 3.960 -0.003 0.000 0.219 674 G C 1.688 176.604 174.900 0.027 0.000 1.214 674 G CA 2.334 47.454 45.100 0.034 0.000 0.785 674 G HN 0.556 nan 8.290 nan 0.000 0.596 675 A N 0.668 123.502 122.820 0.022 0.000 1.859 675 A HA -0.110 4.208 4.320 -0.003 0.000 0.218 675 A C 2.531 180.130 177.584 0.025 0.000 1.209 675 A CA 1.988 54.029 52.037 0.007 0.000 0.639 675 A CB -0.782 18.213 19.000 -0.007 0.000 0.835 675 A HN 0.424 nan 8.150 nan 0.000 0.450 676 L N -0.833 120.422 121.223 0.054 0.000 2.129 676 L HA -0.210 4.127 4.340 -0.003 0.000 0.212 676 L C 2.781 179.687 176.870 0.060 0.000 1.087 676 L CA 1.784 56.672 54.840 0.081 0.000 0.757 676 L CB -1.100 41.023 42.059 0.108 0.000 0.896 676 L HN 0.453 nan 8.230 nan 0.000 0.434 677 T N -0.789 113.794 114.554 0.047 0.000 2.612 677 T HA -0.168 4.179 4.350 -0.003 0.000 0.259 677 T C 2.002 176.718 174.700 0.027 0.000 1.065 677 T CA 1.170 63.292 62.100 0.037 0.000 1.167 677 T CB -0.192 68.698 68.868 0.036 0.000 0.863 677 T HN 0.189 nan 8.240 nan 0.000 0.407 678 R N 0.635 121.148 120.500 0.020 0.000 2.133 678 R HA -0.072 4.266 4.340 -0.003 0.000 0.247 678 R C 2.546 178.852 176.300 0.009 0.000 1.151 678 R CA 1.621 57.727 56.100 0.011 0.000 0.971 678 R CB -0.460 29.842 30.300 0.004 0.000 0.866 678 R HN 0.443 nan 8.270 nan 0.000 0.447 679 M N -0.113 119.496 119.600 0.015 0.000 2.059 679 M HA -0.183 4.295 4.480 -0.003 0.000 0.259 679 M C 2.408 178.721 176.300 0.022 0.000 1.072 679 M CA 1.977 57.289 55.300 0.019 0.000 1.117 679 M CB -0.382 32.242 32.600 0.040 0.000 1.320 679 M HN 0.156 nan 8.290 nan 0.000 0.408 680 R N 0.614 121.132 120.500 0.030 0.000 2.092 680 R HA -0.138 4.200 4.340 -0.003 0.000 0.231 680 R C 1.803 178.109 176.300 0.010 0.000 1.119 680 R CA 1.490 57.602 56.100 0.021 0.000 0.970 680 R CB -0.761 29.554 30.300 0.024 0.000 0.864 680 R HN 0.471 nan 8.270 nan 0.000 0.440 681 Q N 1.460 121.267 119.800 0.012 0.000 2.181 681 Q HA -0.151 4.186 4.340 -0.003 0.000 0.205 681 Q C 2.372 178.372 176.000 0.000 0.000 0.980 681 Q CA 1.892 57.700 55.803 0.009 0.000 0.862 681 Q CB -0.104 28.641 28.738 0.011 0.000 0.905 681 Q HN 0.607 nan 8.270 nan 0.000 0.429 682 S N 0.703 116.401 115.700 -0.003 0.000 2.370 682 S HA -0.127 4.341 4.470 -0.003 0.000 0.226 682 S C 1.879 176.465 174.600 -0.024 0.000 1.033 682 S CA 1.067 59.259 58.200 -0.013 0.000 1.011 682 S CB -0.176 63.016 63.200 -0.014 0.000 0.852 682 S HN 0.363 nan 8.310 nan 0.000 0.457 683 A N 0.204 123.009 122.820 -0.025 0.000 2.337 683 A HA 0.381 4.699 4.320 -0.003 0.000 0.227 683 A C 1.711 179.270 177.584 -0.041 0.000 1.259 683 A CA -0.005 52.005 52.037 -0.045 0.000 0.870 683 A CB -0.188 18.784 19.000 -0.048 0.000 0.927 683 A HN 0.650 nan 8.150 nan 0.000 0.497 684 E N 0.026 120.215 120.200 -0.019 0.000 2.389 684 E HA 0.008 4.356 4.350 -0.003 0.000 0.199 684 E C 0.391 176.991 176.600 -0.001 0.000 0.978 684 E CA 0.406 56.806 56.400 0.000 0.000 0.912 684 E CB 0.248 29.959 29.700 0.018 0.000 0.907 684 E HN 0.678 nan 8.360 nan 0.000 0.494 685 T N 0.336 114.884 114.554 -0.011 0.000 2.939 685 T HA -0.080 4.268 4.350 -0.003 0.000 0.319 685 T C 1.006 175.697 174.700 -0.015 0.000 1.082 685 T CA -0.136 61.959 62.100 -0.008 0.000 1.133 685 T CB 0.999 69.858 68.868 -0.016 0.000 1.019 685 T HN -0.035 nan 8.240 nan 0.000 0.548 686 N N 2.197 120.900 118.700 0.004 0.000 2.007 686 N HA -0.256 4.482 4.740 -0.003 0.000 0.197 686 N C 2.178 177.677 175.510 -0.018 0.000 1.050 686 N CA 2.458 55.515 53.050 0.012 0.000 0.856 686 N CB -0.792 37.715 38.487 0.033 0.000 1.050 686 N HN 0.894 nan 8.380 nan 0.000 0.423 687 S N 0.389 116.075 115.700 -0.022 0.000 2.393 687 S HA -0.194 4.274 4.470 -0.003 0.000 0.234 687 S C 2.325 176.876 174.600 -0.080 0.000 1.064 687 S CA 2.319 60.491 58.200 -0.046 0.000 1.088 687 S CB -1.160 62.014 63.200 -0.043 0.000 0.939 687 S HN 0.174 nan 8.310 nan 0.000 0.448 688 V N 2.601 122.463 119.914 -0.087 0.000 2.237 688 V HA -0.146 3.972 4.120 -0.003 0.000 0.245 688 V C 2.662 178.636 176.094 -0.200 0.000 1.046 688 V CA 2.137 64.362 62.300 -0.126 0.000 1.007 688 V CB -0.970 30.788 31.823 -0.110 0.000 0.638 688 V HN 0.496 nan 8.190 nan 0.000 0.445 689 L N 0.397 121.490 121.223 -0.216 0.000 2.083 689 L HA -0.086 4.252 4.340 -0.003 0.000 0.209 689 L C 2.660 179.353 176.870 -0.296 0.000 1.083 689 L CA 1.654 56.256 54.840 -0.397 0.000 0.752 689 L CB -1.272 40.654 42.059 -0.222 0.000 0.899 689 L HN 0.490 nan 8.230 nan 0.000 0.433 690 G N 0.156 108.895 108.800 -0.100 0.000 2.421 690 G HA2 -0.242 3.716 3.960 -0.003 0.000 0.216 690 G HA3 -0.242 3.716 3.960 -0.003 0.000 0.216 690 G C 1.712 176.578 174.900 -0.057 0.000 1.171 690 G CA 0.527 45.632 45.100 0.008 0.000 0.775 690 G HN 0.289 nan 8.290 nan 0.000 0.543 691 R N -0.021 120.400 120.500 -0.131 0.000 2.117 691 R HA -0.022 4.316 4.340 -0.003 0.000 0.243 691 R C 2.630 178.844 176.300 -0.145 0.000 1.143 691 R CA 1.105 57.117 56.100 -0.146 0.000 0.968 691 R CB -0.587 29.625 30.300 -0.146 0.000 0.863 691 R HN 0.345 nan 8.270 nan 0.000 0.444 692 L N 0.043 121.137 121.223 -0.215 0.000 2.012 692 L HA -0.192 4.146 4.340 -0.003 0.000 0.210 692 L C 2.344 179.157 176.870 -0.095 0.000 1.073 692 L CA 1.591 56.272 54.840 -0.266 0.000 0.748 692 L CB -0.912 40.819 42.059 -0.546 0.000 0.891 692 L HN 0.221 nan 8.230 nan 0.000 0.431 693 T N -0.372 114.259 114.554 0.128 0.000 2.822 693 T HA -0.205 4.143 4.350 -0.003 0.000 0.270 693 T C 1.813 176.758 174.700 0.408 0.000 1.064 693 T CA 1.334 63.717 62.100 0.471 0.000 1.131 693 T CB -0.133 68.999 68.868 0.441 0.000 0.858 693 T HN 0.353 nan 8.240 nan 0.000 0.483 694 K N 0.553 121.051 120.400 0.162 0.000 2.243 694 K HA 0.129 4.447 4.320 -0.003 0.000 0.201 694 K C 2.247 178.872 176.600 0.041 0.000 1.051 694 K CA 0.370 56.720 56.287 0.104 0.000 0.970 694 K CB -0.009 32.468 32.500 -0.039 0.000 0.755 694 K HN 0.203 nan 8.250 nan 0.000 0.465 695 R N 0.341 120.788 120.500 -0.088 0.000 2.377 695 R HA -0.013 4.325 4.340 -0.003 0.000 0.207 695 R C -0.090 176.095 176.300 -0.191 0.000 1.075 695 R CA 0.417 56.410 56.100 -0.179 0.000 1.035 695 R CB -0.178 29.947 30.300 -0.293 0.000 0.857 695 R HN -0.001 nan 8.270 nan 0.000 0.475 696 F N 1.914 121.875 119.950 0.017 0.000 2.375 696 F HA 0.197 4.722 4.527 -0.004 0.000 0.333 696 F C -1.437 174.375 175.800 0.019 0.000 1.104 696 F CA -3.052 54.960 58.000 0.020 0.000 1.149 696 F CB 0.316 39.340 39.000 0.039 0.000 1.190 696 F HN -0.144 nan 8.300 nan 0.000 0.533 697 P HA -0.066 nan 4.420 nan 0.000 0.256 697 P C 0.639 178.009 177.300 0.117 0.000 1.173 697 P CA 0.516 63.692 63.100 0.127 0.000 0.768 697 P CB 0.555 32.316 31.700 0.102 0.000 0.758 698 S N 2.798 118.554 115.700 0.092 0.000 2.570 698 S HA -0.310 4.158 4.470 -0.003 0.000 0.300 698 S C 1.734 176.378 174.600 0.074 0.000 1.224 698 S CA 2.144 60.394 58.200 0.083 0.000 1.103 698 S CB -2.114 61.122 63.200 0.059 0.000 1.009 698 S HN 0.305 nan 8.310 nan 0.000 0.458 699 V N 1.726 121.673 119.914 0.055 0.000 2.357 699 V HA -0.260 3.858 4.120 -0.003 0.000 0.257 699 V C 2.526 178.634 176.094 0.024 0.000 1.082 699 V CA 2.096 64.414 62.300 0.032 0.000 1.078 699 V CB -1.241 30.591 31.823 0.015 0.000 0.663 699 V HN 0.574 nan 8.190 nan 0.000 0.455 700 V N -0.097 119.839 119.914 0.037 0.000 2.229 700 V HA -0.223 3.895 4.120 -0.003 0.000 0.243 700 V C 2.503 178.634 176.094 0.062 0.000 1.042 700 V CA 2.277 64.587 62.300 0.016 0.000 1.000 700 V CB -0.918 30.920 31.823 0.026 0.000 0.637 700 V HN 0.585 nan 8.190 nan 0.000 0.446 701 S N -0.159 115.621 115.700 0.134 0.000 2.392 701 S HA -0.300 4.168 4.470 -0.003 0.000 0.232 701 S C 1.845 176.519 174.600 0.123 0.000 1.041 701 S CA 2.020 60.336 58.200 0.194 0.000 1.026 701 S CB -0.433 62.892 63.200 0.209 0.000 0.845 701 S HN 0.716 nan 8.310 nan 0.000 0.465 702 E N 0.590 120.838 120.200 0.080 0.000 2.051 702 E HA -0.101 4.247 4.350 -0.003 0.000 0.192 702 E C 2.155 178.771 176.600 0.026 0.000 0.991 702 E CA 1.317 57.749 56.400 0.053 0.000 0.799 702 E CB -0.325 29.398 29.700 0.039 0.000 0.748 702 E HN 0.313 nan 8.360 nan 0.000 0.449 703 V N 1.966 121.885 119.914 0.008 0.000 2.392 703 V HA -0.258 3.860 4.120 -0.003 0.000 0.249 703 V C 2.247 178.322 176.094 -0.032 0.000 1.059 703 V CA 1.138 63.427 62.300 -0.018 0.000 1.051 703 V CB -0.491 31.312 31.823 -0.032 0.000 0.658 703 V HN 0.265 nan 8.190 nan 0.000 0.455 704 I N 0.189 120.746 120.570 -0.023 0.000 2.076 704 I HA -0.238 3.930 4.170 -0.003 0.000 0.237 704 I C 2.416 178.550 176.117 0.028 0.000 1.059 704 I CA 2.078 63.363 61.300 -0.024 0.000 1.317 704 I CB -1.051 36.847 38.000 -0.171 0.000 1.037 704 I HN 0.253 nan 8.210 nan 0.000 0.398 705 I N 0.670 121.260 120.570 0.033 0.000 2.315 705 I HA -0.293 3.875 4.170 -0.003 0.000 0.251 705 I C 2.532 178.666 176.117 0.027 0.000 1.125 705 I CA 1.297 62.635 61.300 0.063 0.000 1.392 705 I CB -0.482 37.567 38.000 0.082 0.000 1.065 705 I HN 0.263 nan 8.210 nan 0.000 0.424 706 E N 1.405 121.603 120.200 -0.004 0.000 2.051 706 E HA -0.169 4.179 4.350 -0.003 0.000 0.192 706 E C 2.121 178.672 176.600 -0.082 0.000 0.991 706 E CA 1.919 58.302 56.400 -0.028 0.000 0.799 706 E CB -0.147 29.538 29.700 -0.026 0.000 0.748 706 E HN 0.350 nan 8.360 nan 0.000 0.449 707 S N -0.430 115.167 115.700 -0.172 0.000 2.527 707 S HA 0.024 4.492 4.470 -0.003 0.000 0.222 707 S C -0.086 174.179 174.600 -0.558 0.000 0.985 707 S CA 0.103 58.085 58.200 -0.364 0.000 0.921 707 S CB -0.117 62.794 63.200 -0.480 0.000 0.772 707 S HN 0.295 nan 8.310 nan 0.000 0.529 708 H N 1.586 120.634 119.070 -0.035 0.000 2.860 708 H HA 0.313 4.867 4.556 -0.004 0.000 0.312 708 H C -2.959 172.363 175.328 -0.009 0.000 0.995 708 H CA -2.290 53.740 56.048 -0.030 0.000 1.311 708 H CB 0.968 30.698 29.762 -0.054 0.000 1.478 708 H HN 0.137 nan 8.280 nan 0.000 0.508 709 P HA 0.018 nan 4.420 nan 0.000 0.271 709 P C -0.166 177.176 177.300 0.071 0.000 1.216 709 P CA -0.251 62.887 63.100 0.063 0.000 0.771 709 P CB 1.185 32.912 31.700 0.045 0.000 0.864 710 K N 1.051 121.487 120.400 0.060 0.000 3.311 710 K HA -0.190 4.128 4.320 -0.003 0.000 0.270 710 K C 0.483 177.122 176.600 0.066 0.000 0.927 710 K CA 0.361 56.682 56.287 0.057 0.000 0.706 710 K CB -1.639 30.888 32.500 0.045 0.000 1.418 710 K HN 0.457 nan 8.250 nan 0.000 0.459 711 I N -2.224 118.396 120.570 0.084 0.000 2.783 711 I HA 0.285 4.453 4.170 -0.003 0.000 0.312 711 I C 0.415 176.603 176.117 0.118 0.000 0.988 711 I CA -0.480 60.874 61.300 0.089 0.000 1.182 711 I CB 0.841 38.888 38.000 0.078 0.000 1.368 711 I HN 0.040 nan 8.210 nan 0.000 0.511 712 Q N 2.702 122.581 119.800 0.132 0.000 2.301 712 Q HA 0.395 4.733 4.340 -0.003 0.000 0.267 712 Q C -1.971 174.127 176.000 0.163 0.000 1.035 712 Q CA -1.629 54.247 55.803 0.121 0.000 0.856 712 Q CB 1.772 30.549 28.738 0.065 0.000 1.337 712 Q HN 0.404 nan 8.270 nan 0.000 0.450 713 P HA -0.201 nan 4.420 nan 0.000 0.218 713 P C 0.367 177.543 177.300 -0.206 0.000 1.146 713 P CA 1.430 64.423 63.100 -0.178 0.000 0.813 713 P CB 0.173 31.790 31.700 -0.139 0.000 0.778 714 D N -1.984 118.387 120.400 -0.048 0.000 2.325 714 D HA 0.037 4.675 4.640 -0.003 0.000 0.225 714 D C 0.562 176.898 176.300 0.059 0.000 1.096 714 D CA -0.016 53.970 54.000 -0.023 0.000 0.844 714 D CB -0.395 40.395 40.800 -0.016 0.000 0.925 714 D HN -0.001 nan 8.370 nan 0.000 0.513 715 S N 0.307 116.104 115.700 0.163 0.000 2.580 715 S HA -0.016 4.452 4.470 -0.003 0.000 0.261 715 S C 1.291 175.990 174.600 0.164 0.000 1.366 715 S CA -0.140 58.166 58.200 0.176 0.000 0.996 715 S CB 1.104 64.424 63.200 0.201 0.000 0.902 715 S HN 0.136 nan 8.310 nan 0.000 0.566 716 K N 1.265 121.711 120.400 0.077 0.000 2.067 716 K HA 0.011 4.329 4.320 -0.003 0.000 0.203 716 K C 2.086 178.711 176.600 0.042 0.000 1.048 716 K CA 1.055 57.379 56.287 0.062 0.000 0.954 716 K CB -0.707 31.818 32.500 0.041 0.000 0.737 716 K HN 0.458 nan 8.250 nan 0.000 0.444 717 V N 1.558 121.436 119.914 -0.060 0.000 2.418 717 V HA -0.312 3.806 4.120 -0.003 0.000 0.258 717 V C 2.032 178.015 176.094 -0.185 0.000 1.088 717 V CA 1.859 64.046 62.300 -0.188 0.000 1.091 717 V CB -0.845 30.709 31.823 -0.448 0.000 0.669 717 V HN 0.217 nan 8.190 nan 0.000 0.461 718 Y N 1.056 121.327 120.300 -0.048 0.000 2.114 718 Y HA -0.094 4.454 4.550 -0.004 0.000 0.284 718 Y C 2.559 178.477 175.900 0.029 0.000 1.143 718 Y CA 1.822 59.918 58.100 -0.006 0.000 1.135 718 Y CB -1.138 37.321 38.460 -0.001 0.000 0.980 718 Y HN 0.266 nan 8.280 nan 0.000 0.499 719 G N -0.759 108.153 108.800 0.186 0.000 2.403 719 G HA2 -0.206 3.752 3.960 -0.003 0.000 0.216 719 G HA3 -0.206 3.752 3.960 -0.003 0.000 0.216 719 G C 1.048 176.043 174.900 0.158 0.000 1.154 719 G CA 1.168 46.351 45.100 0.140 0.000 0.784 719 G HN 0.309 nan 8.290 nan 0.000 0.538 720 D N 0.327 120.779 120.400 0.087 0.000 2.178 720 D HA -0.070 4.568 4.640 -0.003 0.000 0.201 720 D C 2.925 179.174 176.300 -0.085 0.000 0.980 720 D CA 1.713 55.749 54.000 0.060 0.000 0.842 720 D CB -0.262 40.599 40.800 0.101 0.000 0.948 720 D HN 0.455 nan 8.370 nan 0.000 0.472 721 T N -1.877 112.551 114.554 -0.210 0.000 2.951 721 T HA -0.128 4.220 4.350 -0.003 0.000 0.268 721 T C 1.865 176.530 174.700 -0.059 0.000 1.073 721 T CA 0.249 62.155 62.100 -0.323 0.000 1.134 721 T CB -0.623 68.051 68.868 -0.323 0.000 0.884 721 T HN 0.130 nan 8.240 nan 0.000 0.479 722 F N 2.637 122.580 119.950 -0.013 0.000 2.069 722 F HA -0.036 4.489 4.527 -0.003 0.000 0.298 722 F C 2.329 178.191 175.800 0.103 0.000 1.113 722 F CA 1.741 59.803 58.000 0.103 0.000 1.214 722 F CB -0.328 38.761 39.000 0.149 0.000 0.978 722 F HN 0.172 nan 8.300 nan 0.000 0.474 723 E N 0.306 120.640 120.200 0.223 0.000 2.118 723 E HA -0.237 4.111 4.350 -0.003 0.000 0.195 723 E C 2.355 178.955 176.600 0.000 0.000 0.992 723 E CA 1.011 57.490 56.400 0.132 0.000 0.804 723 E CB -0.483 29.326 29.700 0.182 0.000 0.741 723 E HN 0.537 nan 8.360 nan 0.000 0.458 724 A N 1.545 124.353 122.820 -0.019 0.000 1.902 724 A HA -0.193 4.125 4.320 -0.003 0.000 0.217 724 A C 2.144 179.652 177.584 -0.126 0.000 1.181 724 A CA 1.144 53.162 52.037 -0.032 0.000 0.623 724 A CB -0.419 18.536 19.000 -0.076 0.000 0.818 724 A HN 0.091 nan 8.150 nan 0.000 0.443 725 I N -0.463 119.978 120.570 -0.215 0.000 2.076 725 I HA -0.222 3.946 4.170 -0.003 0.000 0.237 725 I C 2.440 178.325 176.117 -0.387 0.000 1.059 725 I CA 1.476 62.584 61.300 -0.320 0.000 1.317 725 I CB -1.628 36.146 38.000 -0.378 0.000 1.037 725 I HN 0.387 nan 8.210 nan 0.000 0.398 726 L N 1.565 122.528 121.223 -0.434 0.000 2.054 726 L HA -0.278 4.060 4.340 -0.003 0.000 0.220 726 L C 2.556 179.251 176.870 -0.293 0.000 1.081 726 L CA 2.579 57.209 54.840 -0.351 0.000 0.780 726 L CB -1.035 40.973 42.059 -0.086 0.000 0.893 726 L HN 0.278 nan 8.230 nan 0.000 0.438 727 A N -0.745 121.960 122.820 -0.192 0.000 1.877 727 A HA -0.101 4.217 4.320 -0.003 0.000 0.216 727 A C 2.483 179.956 177.584 -0.185 0.000 1.186 727 A CA 2.201 54.142 52.037 -0.160 0.000 0.620 727 A CB -1.325 17.653 19.000 -0.037 0.000 0.822 727 A HN 0.667 nan 8.150 nan 0.000 0.443 728 A N -0.431 122.271 122.820 -0.196 0.000 1.948 728 A HA -0.143 4.175 4.320 -0.003 0.000 0.220 728 A C 1.977 179.402 177.584 -0.265 0.000 1.177 728 A CA 1.961 53.863 52.037 -0.226 0.000 0.636 728 A CB -0.597 18.253 19.000 -0.250 0.000 0.815 728 A HN 0.452 nan 8.150 nan 0.000 0.449 729 I N -0.879 119.490 120.570 -0.334 0.000 2.193 729 I HA -0.153 4.015 4.170 -0.003 0.000 0.240 729 I C 2.315 178.272 176.117 -0.267 0.000 1.084 729 I CA 1.222 62.321 61.300 -0.336 0.000 1.365 729 I CB -0.669 37.037 38.000 -0.490 0.000 1.064 729 I HN 0.440 nan 8.210 nan 0.000 0.410 730 L N 0.471 121.480 121.223 -0.357 0.000 1.971 730 L HA -0.220 4.118 4.340 -0.003 0.000 0.215 730 L C 2.346 179.157 176.870 -0.099 0.000 1.072 730 L CA 1.998 56.596 54.840 -0.404 0.000 0.758 730 L CB -0.894 40.701 42.059 -0.774 0.000 0.889 730 L HN 0.174 nan 8.230 nan 0.000 0.433 731 L N -0.472 120.739 121.223 -0.020 0.000 2.043 731 L HA -0.253 4.085 4.340 -0.003 0.000 0.212 731 L C 2.564 179.630 176.870 0.327 0.000 1.075 731 L CA 1.599 56.564 54.840 0.209 0.000 0.752 731 L CB -0.821 41.317 42.059 0.131 0.000 0.891 731 L HN 0.533 nan 8.230 nan 0.000 0.432 732 A N -2.257 120.652 122.820 0.148 0.000 1.942 732 A HA -0.055 4.263 4.320 -0.003 0.000 0.209 732 A C 2.042 179.762 177.584 0.227 0.000 1.214 732 A CA 0.751 52.975 52.037 0.312 0.000 0.686 732 A CB -0.563 18.410 19.000 -0.044 0.000 0.871 732 A HN 0.486 nan 8.150 nan 0.000 0.460 733 C N -0.623 118.660 119.300 -0.028 0.000 2.696 733 C HA 0.533 4.990 4.460 -0.003 0.000 0.264 733 C C 1.403 176.139 174.990 -0.424 0.000 1.288 733 C CA 0.089 58.969 59.018 -0.230 0.000 1.717 733 C CB -1.316 26.330 27.740 -0.157 0.000 1.893 733 C HN 1.082 nan 8.230 nan 0.000 0.577 734 G N 0.884 109.576 108.800 -0.180 0.000 2.655 734 G HA2 -0.119 3.839 3.960 -0.003 0.000 0.680 734 G HA3 -0.119 3.839 3.960 -0.003 0.000 0.680 734 G C 0.040 174.909 174.900 -0.051 0.000 1.302 734 G CA -0.075 45.009 45.100 -0.027 0.000 0.872 734 G HN 0.333 nan 8.290 nan 0.000 0.540 735 E N 0.439 120.659 120.200 0.034 0.000 1.999 735 E HA -0.053 4.295 4.350 -0.003 0.000 0.194 735 E C 2.410 179.061 176.600 0.085 0.000 0.995 735 E CA 1.340 57.734 56.400 -0.010 0.000 0.825 735 E CB -0.234 29.549 29.700 0.138 0.000 0.777 735 E HN 0.822 nan 8.360 nan 0.000 0.459 736 E N 1.551 121.824 120.200 0.121 0.000 2.208 736 E HA -0.307 4.041 4.350 -0.003 0.000 0.202 736 E C 2.042 178.717 176.600 0.124 0.000 1.014 736 E CA 1.352 57.833 56.400 0.135 0.000 0.819 736 E CB -0.320 29.439 29.700 0.099 0.000 0.735 736 E HN 0.227 nan 8.360 nan 0.000 0.469 737 A N 1.894 124.749 122.820 0.058 0.000 1.865 737 A HA -0.085 4.233 4.320 -0.003 0.000 0.217 737 A C 2.603 180.246 177.584 0.099 0.000 1.191 737 A CA 2.342 54.405 52.037 0.044 0.000 0.623 737 A CB -1.066 17.910 19.000 -0.041 0.000 0.826 737 A HN 0.487 nan 8.150 nan 0.000 0.444 738 A N -0.656 122.192 122.820 0.047 0.000 1.933 738 A HA 0.122 4.440 4.320 -0.003 0.000 0.218 738 A C 2.418 180.257 177.584 0.426 0.000 1.175 738 A CA 1.947 54.059 52.037 0.125 0.000 0.628 738 A CB -1.411 17.443 19.000 -0.243 0.000 0.814 738 A HN 0.800 nan 8.150 nan 0.000 0.444 739 G N -0.474 108.585 108.800 0.432 0.000 2.442 739 G HA2 -0.022 3.936 3.960 -0.003 0.000 0.219 739 G HA3 -0.022 3.936 3.960 -0.003 0.000 0.219 739 G C 1.693 176.788 174.900 0.325 0.000 1.141 739 G CA 1.413 46.777 45.100 0.440 0.000 0.763 739 G HN 0.808 nan 8.290 nan 0.000 0.554 740 A N 0.138 123.101 122.820 0.238 0.000 1.968 740 A HA 0.157 4.475 4.320 -0.003 0.000 0.217 740 A C 2.111 179.733 177.584 0.064 0.000 1.169 740 A CA 1.339 53.453 52.037 0.129 0.000 0.638 740 A CB -0.468 18.599 19.000 0.112 0.000 0.812 740 A HN 0.370 nan 8.150 nan 0.000 0.446 741 F N 0.772 120.738 119.950 0.027 0.000 2.126 741 F HA -0.166 4.359 4.527 -0.004 0.000 0.299 741 F C 2.192 178.014 175.800 0.038 0.000 1.096 741 F CA 1.958 59.994 58.000 0.061 0.000 1.255 741 F CB -0.282 38.809 39.000 0.151 0.000 0.997 741 F HN 0.036 nan 8.300 nan 0.000 0.479 742 V N 1.588 121.559 119.914 0.095 0.000 2.307 742 V HA -0.279 3.839 4.120 -0.003 0.000 0.245 742 V C 2.423 178.330 176.094 -0.312 0.000 1.045 742 V CA 2.279 64.545 62.300 -0.056 0.000 1.024 742 V CB -0.855 30.990 31.823 0.037 0.000 0.651 742 V HN 0.431 nan 8.190 nan 0.000 0.449 743 R N 0.064 120.274 120.500 -0.484 0.000 2.280 743 R HA -0.020 4.318 4.340 -0.003 0.000 0.207 743 R C 1.752 177.845 176.300 -0.345 0.000 1.043 743 R CA 1.128 56.897 56.100 -0.551 0.000 1.006 743 R CB -0.216 29.714 30.300 -0.617 0.000 0.885 743 R HN 0.373 nan 8.270 nan 0.000 0.467 744 E N 0.192 120.145 120.200 -0.411 0.000 2.127 744 E HA -0.015 4.333 4.350 -0.003 0.000 0.191 744 E C 1.390 177.655 176.600 -0.558 0.000 0.964 744 E CA 0.878 56.970 56.400 -0.513 0.000 0.832 744 E CB 0.115 29.387 29.700 -0.712 0.000 0.790 744 E HN 0.566 nan 8.360 nan 0.000 0.465 745 H N -0.781 118.120 119.070 -0.282 0.000 2.460 745 H HA 0.164 4.718 4.556 -0.004 0.000 0.297 745 H C 2.226 177.406 175.328 -0.246 0.000 1.023 745 H CA 0.647 56.517 56.048 -0.297 0.000 1.321 745 H CB 0.170 29.663 29.762 -0.449 0.000 1.455 745 H HN -0.073 nan 8.280 nan 0.000 0.539 746 V N 1.469 121.309 119.914 -0.123 0.000 2.500 746 V HA -0.077 4.041 4.120 -0.003 0.000 0.243 746 V C 2.704 178.725 176.094 -0.123 0.000 1.039 746 V CA 0.615 62.844 62.300 -0.117 0.000 1.053 746 V CB -0.485 31.314 31.823 -0.040 0.000 0.695 746 V HN 0.135 nan 8.190 nan 0.000 0.463 747 L N 0.720 121.846 121.223 -0.162 0.000 1.997 747 L HA -0.183 4.155 4.340 -0.003 0.000 0.216 747 L C -0.065 176.746 176.870 -0.099 0.000 1.074 747 L CA 2.356 57.108 54.840 -0.146 0.000 0.763 747 L CB -1.244 40.682 42.059 -0.222 0.000 0.890 747 L HN 0.315 nan 8.230 nan 0.000 0.434 748 P HA -0.199 nan 4.420 nan 0.000 0.218 748 P C 1.056 178.315 177.300 -0.068 0.000 1.146 748 P CA 1.164 64.217 63.100 -0.079 0.000 0.813 748 P CB -0.029 31.618 31.700 -0.087 0.000 0.778 749 Q N -0.986 118.766 119.800 -0.080 0.000 2.435 749 Q HA 0.033 4.371 4.340 -0.003 0.000 0.207 749 Q C 0.721 176.689 176.000 -0.054 0.000 0.956 749 Q CA 0.174 55.932 55.803 -0.075 0.000 0.917 749 Q CB -0.767 27.909 28.738 -0.102 0.000 0.997 749 Q HN 0.184 nan 8.270 nan 0.000 0.497 750 V N 1.827 121.717 119.914 -0.039 0.000 2.458 750 V HA 0.028 4.146 4.120 -0.003 0.000 0.287 750 V C -0.012 176.074 176.094 -0.013 0.000 1.009 750 V CA -0.121 62.169 62.300 -0.017 0.000 1.091 750 V CB 0.621 32.450 31.823 0.010 0.000 0.960 750 V HN 0.028 nan 8.190 nan 0.000 0.476 751 V N 8.183 128.086 119.914 -0.019 0.000 2.583 751 V HA 0.719 4.837 4.120 -0.003 0.000 0.287 751 V C 0.769 176.850 176.094 -0.022 0.000 1.051 751 V CA -0.010 62.277 62.300 -0.022 0.000 1.010 751 V CB 1.236 33.044 31.823 -0.026 0.000 0.988 751 V HN 1.266 nan 8.190 nan 0.000 0.478 752 A N 4.739 127.541 122.820 -0.030 0.000 2.409 752 A HA 0.288 4.606 4.320 -0.003 0.000 0.262 752 A C 1.014 178.570 177.584 -0.047 0.000 1.113 752 A CA -0.141 51.866 52.037 -0.049 0.000 0.790 752 A CB 0.199 19.165 19.000 -0.056 0.000 1.046 752 A HN 1.002 nan 8.150 nan 0.000 0.496 753 D N 2.001 122.367 120.400 -0.056 0.000 2.126 753 D HA -0.097 4.541 4.640 -0.003 0.000 0.190 753 D C 1.638 177.915 176.300 -0.039 0.000 1.001 753 D CA 1.845 55.819 54.000 -0.044 0.000 0.841 753 D CB -0.590 40.181 40.800 -0.048 0.000 0.949 753 D HN 0.947 nan 8.370 nan 0.000 0.446 754 A N 0.000 122.791 122.820 -0.048 0.000 2.254 754 A HA 0.000 4.318 4.320 -0.003 0.000 0.244 754 A CA 0.000 52.014 52.037 -0.039 0.000 0.836 754 A CB 0.000 18.975 19.000 -0.042 0.000 0.831 754 A HN 0.000 nan 8.150 nan 0.000 0.486