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 1vbg_1_A DATA FIRST_RESID 3 DATA SEQUENCE KKRVFHFGKG KSEGNKTMKE LLGGKGANLA EMASIGLSVP PGFTVSTEAC DATA SEQUENCE QQYQDAGCAL PAGLWAEIVD GLQWVEEYMG ATLGDPQRPL LLSVRSGAAV DATA SEQUENCE SMPGMMDTVL NLGLNDEVAA GLAAKSGERF AYDSFRRFLD MFGNVVMDIP DATA SEQUENCE RSLFEEKLEH MKESKGLKND TDLTASDLKE LVGQYKEVYL SAKGEPFPSD DATA SEQUENCE PKKQLELAVL AVFNSWESPR AKKYRSINQI TGLRGTAVNV QCMVFGNMGN DATA SEQUENCE TSGTGVLFTR NPNTGEKKLY GEFLVNAQGE DVVAGIRTPE DLDAMKNLMP DATA SEQUENCE QAYDELVENC NILESHYKEM QDIEFTVQEN RLWMLQCRTG KRTGKSAVKI DATA SEQUENCE AVDMVNEGLV EPRSAIKMVE PGHLDQLLHP QFENPSAYKD QVIATGLPAS DATA SEQUENCE PGAAVGQVVF TAEDAEAWHS QGKAAILVRA ETSPEDVGGM HAAVGILTER DATA SEQUENCE GGMTSHAAVV ARGWGKCCVS GCSGIRVNDA EKLVTIGGHV LREGEWLSLN DATA SEQUENCE GSTGEVILGK QPLSPPALSG DLGTFMAWVD DVRKLKVLAN ADTPDDALTA DATA SEQUENCE RNNGAQGIGL CRTEHMFFAS DERIKAVRQM IMAPTLELRQ QALDRLLPYQ DATA SEQUENCE RSDFEGIFRA MDGLPVTIRL LDPPLHEFLP EGNIEDIVSE LCAETGANQE DATA SEQUENCE DALARIEKLS EVNPMLGFRG CRLGISYPEL TEMQARAIFE AAIAMTNQGV DATA SEQUENCE QVFPEIMVPL VGTPQELGHQ VTLIRQVAEK VFANVGKTIG YKVGTMIEIP DATA SEQUENCE RAALVADEIA EQAEFFSFGT NDLTQMTFGY SRDDVGKFIP VYLAQGILQH DATA SEQUENCE DPFEVLDQRG VGELVKFATE RGRKARPNLK VGICGEHGGE PSSVAFFAKA DATA SEQUENCE GLDYVSCSPF RVPIARLAAA QVLV 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 3 K HA 0.000 nan 4.320 nan 0.000 0.191 3 K C 0.000 176.208 176.600 -0.654 0.000 0.988 3 K CA 0.000 55.980 56.287 -0.511 0.000 0.838 3 K CB 0.000 32.064 32.500 -0.726 0.000 1.064 4 K N 1.371 121.491 120.400 -0.467 0.000 2.370 4 K HA 0.181 4.502 4.320 0.002 0.000 0.194 4 K C 0.793 177.255 176.600 -0.230 0.000 1.070 4 K CA 0.487 56.612 56.287 -0.270 0.000 0.998 4 K CB 0.459 32.898 32.500 -0.102 0.000 0.911 4 K HN 0.435 nan 8.250 nan 0.000 0.533 5 R N -0.716 119.584 120.500 -0.333 0.000 2.517 5 R HA 0.238 4.579 4.340 0.002 0.000 0.265 5 R C -0.731 175.490 176.300 -0.131 0.000 0.921 5 R CA -0.123 55.912 56.100 -0.109 0.000 1.054 5 R CB 1.898 32.178 30.300 -0.034 0.000 1.340 5 R HN -0.151 nan 8.270 nan 0.000 0.551 6 V N 1.523 121.163 119.914 -0.456 0.000 2.623 6 V HA 0.432 4.553 4.120 0.002 0.000 0.304 6 V C -1.436 174.316 176.094 -0.570 0.000 1.054 6 V CA -0.706 61.406 62.300 -0.314 0.000 0.882 6 V CB 1.839 33.434 31.823 -0.380 0.000 1.002 6 V HN 0.021 nan 8.190 nan 0.000 0.424 7 F N 4.144 124.076 119.950 -0.030 0.000 2.499 7 F HA 0.575 5.103 4.527 0.002 0.000 0.333 7 F C 0.433 176.215 175.800 -0.030 0.000 1.138 7 F CA -0.770 57.161 58.000 -0.114 0.000 0.945 7 F CB 1.230 40.202 39.000 -0.047 0.000 1.181 7 F HN 0.781 nan 8.300 nan 0.000 0.435 8 H N 1.467 120.494 119.070 -0.071 0.000 2.534 8 H HA 0.785 5.342 4.556 0.002 0.000 0.364 8 H C -0.882 174.331 175.328 -0.192 0.000 1.328 8 H CA -1.546 54.340 56.048 -0.269 0.000 1.415 8 H CB 0.838 30.197 29.762 -0.673 0.000 1.573 8 H HN 0.435 nan 8.280 nan 0.000 0.601 9 F N -3.003 117.055 119.950 0.181 0.000 2.703 9 F HA 0.747 5.275 4.527 0.002 0.000 0.308 9 F C -0.494 175.397 175.800 0.153 0.000 1.126 9 F CA -0.527 57.555 58.000 0.136 0.000 0.959 9 F CB 1.075 40.127 39.000 0.086 0.000 1.297 9 F HN 1.000 nan 8.300 nan 0.000 0.441 10 G N 0.774 109.791 108.800 0.361 0.000 2.548 10 G HA2 0.394 4.355 3.960 0.002 0.000 0.301 10 G HA3 0.394 4.355 3.960 0.002 0.000 0.301 10 G C -2.000 173.062 174.900 0.270 0.000 1.349 10 G CA -1.291 43.915 45.100 0.177 0.000 0.792 10 G HN 0.880 nan 8.290 nan 0.000 0.481 11 K N 0.305 120.923 120.400 0.362 0.000 2.319 11 K HA 0.375 4.696 4.320 0.002 0.000 0.277 11 K C 1.276 178.022 176.600 0.243 0.000 1.111 11 K CA 1.411 57.870 56.287 0.286 0.000 1.093 11 K CB -0.572 32.086 32.500 0.263 0.000 0.910 11 K HN 1.830 nan 8.250 nan 0.000 0.452 12 G N 3.426 112.328 108.800 0.169 0.000 2.159 12 G HA2 -0.275 3.686 3.960 0.002 0.000 0.256 12 G HA3 -0.275 3.686 3.960 0.002 0.000 0.256 12 G C -0.521 174.477 174.900 0.164 0.000 0.977 12 G CA 0.324 45.507 45.100 0.138 0.000 0.652 12 G HN 0.580 nan 8.290 nan 0.000 0.531 13 K N 0.115 120.638 120.400 0.205 0.000 2.482 13 K HA 0.664 4.985 4.320 0.002 0.000 0.251 13 K C -0.572 176.155 176.600 0.212 0.000 0.936 13 K CA -0.071 56.352 56.287 0.227 0.000 0.791 13 K CB 2.404 35.116 32.500 0.354 0.000 1.213 13 K HN 0.755 nan 8.250 nan 0.000 0.428 14 S N -0.497 115.286 115.700 0.139 0.000 2.556 14 S HA 0.372 4.843 4.470 0.002 0.000 0.280 14 S C 0.315 174.906 174.600 -0.015 0.000 1.141 14 S CA -0.432 57.831 58.200 0.105 0.000 0.883 14 S CB 1.515 64.780 63.200 0.107 0.000 1.103 14 S HN 0.622 nan 8.310 nan 0.000 0.453 15 E N 2.160 122.303 120.200 -0.096 0.000 2.170 15 E HA 0.406 4.757 4.350 0.002 0.000 0.191 15 E C 1.039 177.665 176.600 0.044 0.000 0.981 15 E CA 0.699 57.061 56.400 -0.063 0.000 0.830 15 E CB -0.616 29.025 29.700 -0.097 0.000 0.775 15 E HN 1.293 nan 8.360 nan 0.000 0.470 16 G N 0.219 108.999 108.800 -0.034 0.000 2.531 16 G HA2 0.482 4.443 3.960 0.002 0.000 0.313 16 G HA3 0.482 4.443 3.960 0.002 0.000 0.313 16 G C -0.134 174.689 174.900 -0.129 0.000 1.238 16 G CA -0.028 44.938 45.100 -0.224 0.000 0.994 16 G HN 0.599 nan 8.290 nan 0.000 0.493 17 N N -2.744 115.869 118.700 -0.145 0.000 2.629 17 N HA 0.260 5.001 4.740 0.002 0.000 0.279 17 N C 0.855 176.312 175.510 -0.088 0.000 1.344 17 N CA -0.760 52.235 53.050 -0.091 0.000 0.789 17 N CB 1.530 39.978 38.487 -0.064 0.000 1.508 17 N HN 0.530 nan 8.380 nan 0.000 0.516 18 K N -1.612 118.756 120.400 -0.052 0.000 2.286 18 K HA -0.181 4.140 4.320 0.002 0.000 0.203 18 K C 0.720 177.305 176.600 -0.026 0.000 1.045 18 K CA 1.927 58.199 56.287 -0.025 0.000 0.935 18 K CB -0.724 31.786 32.500 0.017 0.000 0.737 18 K HN 0.746 nan 8.250 nan 0.000 0.460 19 T N -1.609 112.922 114.554 -0.039 0.000 3.129 19 T HA 0.169 4.520 4.350 0.002 0.000 0.251 19 T C 1.090 175.758 174.700 -0.054 0.000 1.117 19 T CA -0.194 61.884 62.100 -0.035 0.000 1.034 19 T CB -0.120 68.730 68.868 -0.030 0.000 0.968 19 T HN 0.136 nan 8.240 nan 0.000 0.526 20 M N 1.492 121.039 119.600 -0.088 0.000 3.533 20 M HA 0.340 4.821 4.480 0.002 0.000 0.217 20 M C 1.966 178.207 176.300 -0.098 0.000 1.269 20 M CA -0.332 54.899 55.300 -0.116 0.000 1.435 20 M CB 0.177 32.652 32.600 -0.208 0.000 1.105 20 M HN 0.378 nan 8.290 nan 0.000 0.555 21 K N 0.277 120.643 120.400 -0.057 0.000 2.148 21 K HA -0.121 4.200 4.320 0.002 0.000 0.204 21 K C 1.752 178.331 176.600 -0.036 0.000 1.050 21 K CA 1.989 58.254 56.287 -0.037 0.000 0.942 21 K CB -0.610 31.883 32.500 -0.011 0.000 0.724 21 K HN 0.500 nan 8.250 nan 0.000 0.446 22 E N 0.386 120.563 120.200 -0.038 0.000 2.015 22 E HA -0.074 4.277 4.350 0.002 0.000 0.191 22 E C 2.132 178.702 176.600 -0.051 0.000 0.991 22 E CA 1.329 57.708 56.400 -0.034 0.000 0.802 22 E CB -0.368 29.317 29.700 -0.026 0.000 0.759 22 E HN 0.633 nan 8.360 nan 0.000 0.447 23 L N -0.388 120.797 121.223 -0.064 0.000 2.034 23 L HA 0.085 4.426 4.340 0.002 0.000 0.203 23 L C 2.949 179.784 176.870 -0.058 0.000 1.074 23 L CA 1.312 56.118 54.840 -0.057 0.000 0.748 23 L CB -0.390 41.625 42.059 -0.073 0.000 0.905 23 L HN 0.272 nan 8.230 nan 0.000 0.439 24 L N -0.468 120.684 121.223 -0.118 0.000 2.291 24 L HA 0.116 4.457 4.340 0.002 0.000 0.214 24 L C 1.039 177.883 176.870 -0.044 0.000 1.120 24 L CA 0.454 55.238 54.840 -0.093 0.000 0.799 24 L CB -0.942 41.010 42.059 -0.178 0.000 0.925 24 L HN 0.469 nan 8.230 nan 0.000 0.446 25 G N -0.986 107.785 108.800 -0.049 0.000 2.730 25 G HA2 -0.149 3.812 3.960 0.002 0.000 0.686 25 G HA3 -0.149 3.812 3.960 0.002 0.000 0.686 25 G C 0.600 175.486 174.900 -0.024 0.000 1.343 25 G CA -0.503 44.581 45.100 -0.028 0.000 0.826 25 G HN 0.223 nan 8.290 nan 0.000 0.582 26 G N 0.047 108.844 108.800 -0.005 0.000 2.491 26 G HA2 -0.232 3.729 3.960 0.002 0.000 0.218 26 G HA3 -0.232 3.729 3.960 0.002 0.000 0.218 26 G C 1.648 176.536 174.900 -0.019 0.000 1.180 26 G CA 1.938 47.036 45.100 -0.003 0.000 0.774 26 G HN 0.987 nan 8.290 nan 0.000 0.562 27 K N 0.123 120.511 120.400 -0.019 0.000 2.057 27 K HA -0.009 4.313 4.320 0.002 0.000 0.207 27 K C 2.691 179.245 176.600 -0.076 0.000 1.049 27 K CA 1.329 57.593 56.287 -0.039 0.000 0.931 27 K CB -0.590 31.897 32.500 -0.022 0.000 0.714 27 K HN 0.247 nan 8.250 nan 0.000 0.440 28 G N 0.255 109.020 108.800 -0.058 0.000 2.418 28 G HA2 -0.260 3.701 3.960 0.002 0.000 0.217 28 G HA3 -0.260 3.701 3.960 0.002 0.000 0.217 28 G C 1.539 176.360 174.900 -0.130 0.000 1.158 28 G CA 0.919 45.971 45.100 -0.080 0.000 0.771 28 G HN 0.430 nan 8.290 nan 0.000 0.545 29 A N 1.044 123.804 122.820 -0.100 0.000 1.930 29 A HA -0.078 4.243 4.320 0.002 0.000 0.217 29 A C 2.150 179.683 177.584 -0.085 0.000 1.175 29 A CA 2.017 53.994 52.037 -0.100 0.000 0.627 29 A CB -0.551 18.407 19.000 -0.069 0.000 0.815 29 A HN 0.446 nan 8.150 nan 0.000 0.443 30 N N -0.155 118.507 118.700 -0.064 0.000 2.244 30 N HA -0.055 4.686 4.740 0.002 0.000 0.183 30 N C 1.514 176.967 175.510 -0.095 0.000 1.016 30 N CA 1.230 54.264 53.050 -0.028 0.000 0.866 30 N CB -0.354 38.124 38.487 -0.014 0.000 0.980 30 N HN 0.477 nan 8.380 nan 0.000 0.430 31 L N -0.259 120.830 121.223 -0.223 0.000 2.017 31 L HA -0.082 4.259 4.340 0.002 0.000 0.208 31 L C 2.428 179.057 176.870 -0.403 0.000 1.073 31 L CA 1.261 55.844 54.840 -0.428 0.000 0.745 31 L CB -0.626 40.935 42.059 -0.830 0.000 0.894 31 L HN 0.220 nan 8.230 nan 0.000 0.432 32 A N -0.253 122.379 122.820 -0.313 0.000 1.908 32 A HA -0.291 4.030 4.320 0.002 0.000 0.218 32 A C 2.245 179.768 177.584 -0.102 0.000 1.181 32 A CA 2.087 54.029 52.037 -0.160 0.000 0.627 32 A CB -0.567 18.360 19.000 -0.122 0.000 0.818 32 A HN 0.507 nan 8.150 nan 0.000 0.445 33 E N -0.678 119.467 120.200 -0.092 0.000 2.047 33 E HA -0.188 4.163 4.350 0.002 0.000 0.191 33 E C 2.082 178.617 176.600 -0.109 0.000 0.987 33 E CA 1.378 57.727 56.400 -0.085 0.000 0.799 33 E CB -0.216 29.482 29.700 -0.004 0.000 0.752 33 E HN 0.654 nan 8.360 nan 0.000 0.449 34 M N 0.284 119.862 119.600 -0.037 0.000 2.086 34 M HA -0.163 4.318 4.480 0.002 0.000 0.261 34 M C 2.468 178.757 176.300 -0.017 0.000 1.067 34 M CA 1.673 56.973 55.300 0.001 0.000 1.116 34 M CB -0.206 32.405 32.600 0.018 0.000 1.348 34 M HN 0.235 nan 8.290 nan 0.000 0.407 35 A N -1.049 121.764 122.820 -0.012 0.000 1.930 35 A HA -0.138 4.184 4.320 0.002 0.000 0.217 35 A C 2.233 179.843 177.584 0.042 0.000 1.175 35 A CA 1.990 54.066 52.037 0.066 0.000 0.627 35 A CB -0.796 18.291 19.000 0.145 0.000 0.815 35 A HN 0.441 nan 8.150 nan 0.000 0.443 36 S N -0.216 115.476 115.700 -0.013 0.000 2.447 36 S HA -0.078 4.393 4.470 0.002 0.000 0.233 36 S C 1.619 176.181 174.600 -0.064 0.000 1.006 36 S CA 1.233 59.416 58.200 -0.029 0.000 0.957 36 S CB -0.599 62.567 63.200 -0.057 0.000 0.773 36 S HN 0.677 nan 8.310 nan 0.000 0.507 37 I N -2.969 117.528 120.570 -0.122 0.000 3.883 37 I HA 0.458 4.629 4.170 0.002 0.000 0.326 37 I C 1.185 177.266 176.117 -0.060 0.000 1.283 37 I CA 0.440 61.653 61.300 -0.144 0.000 1.161 37 I CB -0.218 37.592 38.000 -0.317 0.000 1.012 37 I HN 0.314 nan 8.210 nan 0.000 0.421 38 G N 1.897 110.689 108.800 -0.014 0.000 2.144 38 G HA2 -0.167 3.794 3.960 0.002 0.000 0.218 38 G HA3 -0.167 3.794 3.960 0.002 0.000 0.218 38 G C -0.031 174.881 174.900 0.020 0.000 0.988 38 G CA -0.258 44.851 45.100 0.014 0.000 0.659 38 G HN 0.329 nan 8.290 nan 0.000 0.522 39 L N 1.265 122.505 121.223 0.028 0.000 2.397 39 L HA 0.368 4.709 4.340 0.002 0.000 0.271 39 L C 1.046 177.961 176.870 0.076 0.000 1.148 39 L CA -0.215 54.649 54.840 0.040 0.000 0.825 39 L CB 1.245 43.335 42.059 0.053 0.000 1.117 39 L HN 0.118 nan 8.230 nan 0.000 0.456 40 S N 2.134 117.861 115.700 0.045 0.000 4.085 40 S HA 0.124 4.595 4.470 0.002 0.000 0.189 40 S C 0.086 174.822 174.600 0.227 0.000 1.392 40 S CA -0.546 57.678 58.200 0.039 0.000 0.972 40 S CB -0.811 62.305 63.200 -0.139 0.000 1.482 40 S HN 0.431 nan 8.310 nan 0.000 0.446 41 V N -0.185 119.912 119.914 0.306 0.000 2.546 41 V HA 0.509 4.630 4.120 0.002 0.000 0.284 41 V C -2.769 173.669 176.094 0.574 0.000 1.050 41 V CA -2.901 59.632 62.300 0.388 0.000 0.981 41 V CB 0.484 32.462 31.823 0.259 0.000 0.990 41 V HN 0.100 nan 8.190 nan 0.000 0.474 42 P HA 0.190 nan 4.420 nan 0.000 0.266 42 P C -2.516 174.941 177.300 0.263 0.000 1.195 42 P CA -0.635 62.581 63.100 0.193 0.000 0.768 42 P CB -0.139 31.454 31.700 -0.177 0.000 0.838 43 P HA 0.213 nan 4.420 nan 0.000 0.271 43 P C 0.005 177.210 177.300 -0.158 0.000 1.218 43 P CA 0.457 63.593 63.100 0.061 0.000 0.780 43 P CB 0.924 32.682 31.700 0.097 0.000 0.901 44 G N 1.071 109.494 108.800 -0.629 0.000 2.494 44 G HA2 0.651 4.612 3.960 0.002 0.000 0.308 44 G HA3 0.651 4.612 3.960 0.002 0.000 0.308 44 G C -1.805 172.434 174.900 -1.102 0.000 1.263 44 G CA -0.769 43.847 45.100 -0.807 0.000 0.840 44 G HN 0.551 nan 8.290 nan 0.000 0.479 45 F N -2.006 117.557 119.950 -0.645 0.000 2.713 45 F HA 0.841 5.369 4.527 0.001 0.000 0.311 45 F C -0.873 175.022 175.800 0.159 0.000 1.141 45 F CA -1.279 56.574 58.000 -0.245 0.000 0.939 45 F CB 1.421 40.348 39.000 -0.123 0.000 1.325 45 F HN 0.513 nan 8.300 nan 0.000 0.453 46 T N 1.829 116.745 114.554 0.603 0.000 2.824 46 T HA 0.611 4.962 4.350 0.002 0.000 0.282 46 T C -1.152 173.837 174.700 0.481 0.000 0.993 46 T CA -0.653 61.729 62.100 0.471 0.000 0.967 46 T CB 1.805 70.890 68.868 0.361 0.000 0.960 46 T HN 0.606 nan 8.240 nan 0.000 0.441 47 V N 4.054 124.195 119.914 0.379 0.000 2.348 47 V HA 0.321 4.442 4.120 0.002 0.000 0.270 47 V C 0.927 177.202 176.094 0.302 0.000 1.037 47 V CA -0.894 61.599 62.300 0.322 0.000 0.872 47 V CB 0.710 32.707 31.823 0.289 0.000 1.002 47 V HN 1.146 nan 8.190 nan 0.000 0.464 48 S N 3.319 119.205 115.700 0.310 0.000 2.537 48 S HA -0.087 4.384 4.470 0.002 0.000 0.280 48 S C 1.527 176.209 174.600 0.137 0.000 1.335 48 S CA 0.453 58.790 58.200 0.227 0.000 1.025 48 S CB 0.451 63.810 63.200 0.265 0.000 0.836 48 S HN 1.044 nan 8.310 nan 0.000 0.523 49 T N -2.346 112.228 114.554 0.035 0.000 2.995 49 T HA 0.089 4.440 4.350 0.002 0.000 0.269 49 T C 1.808 176.442 174.700 -0.110 0.000 1.091 49 T CA 1.097 63.150 62.100 -0.079 0.000 1.128 49 T CB -1.052 67.725 68.868 -0.152 0.000 0.891 49 T HN 0.930 nan 8.240 nan 0.000 0.492 50 E N 1.572 121.749 120.200 -0.038 0.000 2.152 50 E HA 0.317 4.668 4.350 0.002 0.000 0.192 50 E C 2.371 178.931 176.600 -0.068 0.000 0.983 50 E CA 1.162 57.536 56.400 -0.042 0.000 0.818 50 E CB -1.122 28.583 29.700 0.008 0.000 0.758 50 E HN 0.825 nan 8.360 nan 0.000 0.467 51 A N -0.037 122.761 122.820 -0.036 0.000 1.933 51 A HA -0.084 4.237 4.320 0.002 0.000 0.218 51 A C 2.580 179.899 177.584 -0.442 0.000 1.175 51 A CA 1.512 53.511 52.037 -0.062 0.000 0.628 51 A CB -1.179 17.921 19.000 0.166 0.000 0.814 51 A HN 0.739 nan 8.150 nan 0.000 0.444 52 C N -1.225 117.694 119.300 -0.635 0.000 2.446 52 C HA 0.007 4.468 4.460 0.002 0.000 0.277 52 C C 3.321 178.055 174.990 -0.426 0.000 1.275 52 C CA 2.302 60.694 59.018 -1.045 0.000 1.727 52 C CB -1.304 26.105 27.740 -0.553 0.000 2.010 52 C HN 0.722 nan 8.230 nan 0.000 0.486 53 Q N -0.226 119.422 119.800 -0.253 0.000 2.050 53 Q HA -0.266 4.075 4.340 0.002 0.000 0.202 53 Q C 1.868 177.819 176.000 -0.082 0.000 0.980 53 Q CA 2.174 57.904 55.803 -0.120 0.000 0.840 53 Q CB -0.913 27.772 28.738 -0.088 0.000 0.898 53 Q HN 0.903 nan 8.270 nan 0.000 0.424 54 Q N -1.424 118.323 119.800 -0.088 0.000 2.135 54 Q HA -0.147 4.194 4.340 0.002 0.000 0.204 54 Q C 2.058 178.035 176.000 -0.038 0.000 0.981 54 Q CA 1.585 57.360 55.803 -0.047 0.000 0.856 54 Q CB -0.305 28.419 28.738 -0.024 0.000 0.902 54 Q HN 0.857 nan 8.270 nan 0.000 0.425 55 Y N 1.499 121.669 120.300 -0.217 0.000 2.097 55 Y HA -0.322 4.229 4.550 0.002 0.000 0.282 55 Y C 2.395 178.241 175.900 -0.089 0.000 1.152 55 Y CA 2.018 60.011 58.100 -0.177 0.000 1.136 55 Y CB -0.196 38.013 38.460 -0.420 0.000 0.975 55 Y HN 0.015 nan 8.280 nan 0.000 0.498 56 Q N 0.610 120.343 119.800 -0.113 0.000 2.096 56 Q HA -0.184 4.157 4.340 0.002 0.000 0.204 56 Q C 1.832 177.757 176.000 -0.126 0.000 0.982 56 Q CA 2.161 57.892 55.803 -0.119 0.000 0.850 56 Q CB -0.383 28.389 28.738 0.057 0.000 0.901 56 Q HN 0.561 nan 8.270 nan 0.000 0.422 57 D N -0.675 119.675 120.400 -0.083 0.000 2.144 57 D HA -0.073 4.568 4.640 0.002 0.000 0.200 57 D C 0.728 176.980 176.300 -0.081 0.000 0.978 57 D CA 1.265 55.228 54.000 -0.060 0.000 0.833 57 D CB -0.217 40.562 40.800 -0.036 0.000 0.961 57 D HN 0.291 nan 8.370 nan 0.000 0.470 58 A N 0.241 122.996 122.820 -0.108 0.000 2.281 58 A HA 0.393 4.714 4.320 0.002 0.000 0.231 58 A C 1.342 178.842 177.584 -0.140 0.000 1.317 58 A CA 0.717 52.695 52.037 -0.099 0.000 0.959 58 A CB -0.869 18.087 19.000 -0.073 0.000 0.900 58 A HN 0.221 nan 8.150 nan 0.000 0.497 59 G N -1.842 106.865 108.800 -0.155 0.000 2.289 59 G HA2 -0.199 3.762 3.960 0.002 0.000 0.280 59 G HA3 -0.199 3.762 3.960 0.002 0.000 0.280 59 G C 0.528 175.273 174.900 -0.259 0.000 1.089 59 G CA -0.059 44.949 45.100 -0.153 0.000 0.939 59 G HN 1.279 nan 8.290 nan 0.000 0.499 60 C N -2.221 116.792 119.300 -0.479 0.000 4.268 60 C HA 0.043 4.504 4.460 0.002 0.000 0.299 60 C C 1.662 176.104 174.990 -0.912 0.000 1.429 60 C CA 0.955 59.389 59.018 -0.974 0.000 2.018 60 C CB -2.335 25.188 27.740 -0.362 0.000 1.277 60 C HN 2.231 nan 8.230 nan 0.000 0.767 61 A N -0.656 121.795 122.820 -0.616 0.000 2.356 61 A HA 0.771 5.092 4.320 0.002 0.000 0.323 61 A C -0.451 177.208 177.584 0.125 0.000 1.119 61 A CA -0.531 51.430 52.037 -0.127 0.000 0.790 61 A CB 0.678 19.640 19.000 -0.063 0.000 1.273 61 A HN 0.760 nan 8.150 nan 0.000 0.452 62 L N 3.674 125.081 121.223 0.306 0.000 2.433 62 L HA 0.279 4.620 4.340 0.002 0.000 0.275 62 L C -1.579 175.419 176.870 0.214 0.000 1.128 62 L CA -1.368 53.693 54.840 0.367 0.000 0.875 62 L CB 0.591 42.827 42.059 0.293 0.000 1.171 62 L HN 0.541 nan 8.230 nan 0.000 0.463 63 P HA 0.056 nan 4.420 nan 0.000 0.269 63 P C -0.762 176.606 177.300 0.113 0.000 1.215 63 P CA -0.479 62.689 63.100 0.115 0.000 0.780 63 P CB 0.652 32.406 31.700 0.089 0.000 0.898 64 A N 1.574 124.440 122.820 0.077 0.000 2.567 64 A HA 0.375 4.696 4.320 0.002 0.000 0.240 64 A C 1.579 179.205 177.584 0.070 0.000 1.053 64 A CA 0.823 52.903 52.037 0.071 0.000 0.755 64 A CB -1.373 17.654 19.000 0.046 0.000 0.978 64 A HN 0.948 nan 8.150 nan 0.000 0.507 65 G N 1.143 109.992 108.800 0.081 0.000 2.347 65 G HA2 -0.284 3.677 3.960 0.002 0.000 0.247 65 G HA3 -0.284 3.677 3.960 0.002 0.000 0.247 65 G C 0.989 175.924 174.900 0.058 0.000 1.037 65 G CA 0.904 46.038 45.100 0.056 0.000 0.622 65 G HN 1.503 nan 8.290 nan 0.000 0.521 66 L N 0.665 121.948 121.223 0.100 0.000 1.971 66 L HA 0.030 4.371 4.340 0.002 0.000 0.215 66 L C 2.442 179.379 176.870 0.112 0.000 1.072 66 L CA 3.061 57.965 54.840 0.108 0.000 0.758 66 L CB -0.883 41.290 42.059 0.190 0.000 0.889 66 L HN 0.595 nan 8.230 nan 0.000 0.433 67 W N 0.243 121.559 121.300 0.027 0.000 2.325 67 W HA -0.333 4.328 4.660 0.002 0.000 0.299 67 W C 2.164 178.669 176.519 -0.024 0.000 1.215 67 W CA 2.100 59.452 57.345 0.012 0.000 1.244 67 W CB -0.206 29.273 29.460 0.033 0.000 1.140 67 W HN 0.427 nan 8.180 nan 0.000 0.523 68 A N 0.649 123.419 122.820 -0.084 0.000 1.940 68 A HA -0.260 4.061 4.320 0.002 0.000 0.219 68 A C 1.841 179.253 177.584 -0.286 0.000 1.176 68 A CA 1.992 53.918 52.037 -0.185 0.000 0.631 68 A CB -0.933 18.035 19.000 -0.052 0.000 0.814 68 A HN 0.501 nan 8.150 nan 0.000 0.446 69 E N -0.400 119.651 120.200 -0.249 0.000 2.072 69 E HA -0.106 4.245 4.350 0.002 0.000 0.190 69 E C 1.927 178.247 176.600 -0.466 0.000 0.982 69 E CA 1.054 57.272 56.400 -0.303 0.000 0.803 69 E CB -0.285 29.266 29.700 -0.248 0.000 0.755 69 E HN 0.702 nan 8.360 nan 0.000 0.453 70 I N 1.024 121.283 120.570 -0.518 0.000 2.208 70 I HA -0.257 3.914 4.170 0.002 0.000 0.245 70 I C 2.355 178.012 176.117 -0.766 0.000 1.097 70 I CA 0.893 61.770 61.300 -0.705 0.000 1.363 70 I CB -0.256 37.444 38.000 -0.499 0.000 1.051 70 I HN -0.011 nan 8.210 nan 0.000 0.413 71 V N 0.611 120.047 119.914 -0.797 0.000 2.427 71 V HA -0.291 3.830 4.120 0.002 0.000 0.248 71 V C 2.141 178.021 176.094 -0.356 0.000 1.051 71 V CA 2.185 64.129 62.300 -0.594 0.000 1.048 71 V CB -0.672 30.793 31.823 -0.596 0.000 0.666 71 V HN 0.436 nan 8.190 nan 0.000 0.456 72 D N 0.683 120.875 120.400 -0.346 0.000 2.117 72 D HA -0.113 4.528 4.640 0.002 0.000 0.197 72 D C 2.203 178.392 176.300 -0.185 0.000 0.987 72 D CA 1.562 55.431 54.000 -0.218 0.000 0.829 72 D CB -0.364 40.307 40.800 -0.215 0.000 0.961 72 D HN 0.346 nan 8.370 nan 0.000 0.460 73 G N 0.275 108.845 108.800 -0.384 0.000 2.402 73 G HA2 -0.155 3.806 3.960 0.002 0.000 0.216 73 G HA3 -0.155 3.806 3.960 0.002 0.000 0.216 73 G C 1.555 176.427 174.900 -0.047 0.000 1.162 73 G CA 1.222 46.096 45.100 -0.378 0.000 0.777 73 G HN 0.398 nan 8.290 nan 0.000 0.539 74 L N -0.658 120.515 121.223 -0.082 0.000 2.093 74 L HA 0.200 4.541 4.340 0.002 0.000 0.208 74 L C 2.851 179.773 176.870 0.087 0.000 1.085 74 L CA 2.312 57.247 54.840 0.159 0.000 0.755 74 L CB -1.525 40.609 42.059 0.125 0.000 0.904 74 L HN 0.283 nan 8.230 nan 0.000 0.435 75 Q N -0.200 119.614 119.800 0.024 0.000 2.084 75 Q HA -0.241 4.100 4.340 0.002 0.000 0.202 75 Q C 2.004 178.037 176.000 0.056 0.000 0.978 75 Q CA 2.081 57.896 55.803 0.021 0.000 0.844 75 Q CB -2.024 26.712 28.738 -0.003 0.000 0.898 75 Q HN 0.805 nan 8.270 nan 0.000 0.426 76 W N 0.298 121.551 121.300 -0.077 0.000 2.358 76 W HA -0.139 4.522 4.660 0.002 0.000 0.303 76 W C 2.080 178.558 176.519 -0.069 0.000 1.208 76 W CA 2.018 59.300 57.345 -0.104 0.000 1.274 76 W CB -0.005 29.336 29.460 -0.199 0.000 1.138 76 W HN 0.196 nan 8.180 nan 0.000 0.515 77 V N 0.809 120.835 119.914 0.187 0.000 2.343 77 V HA -0.302 3.819 4.120 0.002 0.000 0.247 77 V C 2.037 178.124 176.094 -0.012 0.000 1.051 77 V CA 2.372 64.722 62.300 0.084 0.000 1.036 77 V CB -0.916 30.996 31.823 0.147 0.000 0.654 77 V HN 0.212 nan 8.190 nan 0.000 0.451 78 E N 0.232 120.426 120.200 -0.011 0.000 2.106 78 E HA -0.190 4.161 4.350 0.002 0.000 0.192 78 E C 2.422 178.974 176.600 -0.081 0.000 0.984 78 E CA 1.407 57.785 56.400 -0.036 0.000 0.806 78 E CB -0.204 29.483 29.700 -0.022 0.000 0.750 78 E HN 0.797 nan 8.360 nan 0.000 0.458 79 E N 0.842 120.964 120.200 -0.130 0.000 2.107 79 E HA -0.187 4.164 4.350 0.002 0.000 0.191 79 E C 1.606 178.066 176.600 -0.232 0.000 0.982 79 E CA 1.056 57.350 56.400 -0.177 0.000 0.809 79 E CB -0.912 28.661 29.700 -0.211 0.000 0.756 79 E HN 0.357 nan 8.360 nan 0.000 0.459 80 Y N 0.084 120.088 120.300 -0.494 0.000 2.145 80 Y HA -0.119 4.432 4.550 0.002 0.000 0.286 80 Y C 2.338 178.102 175.900 -0.226 0.000 1.145 80 Y CA 2.191 59.989 58.100 -0.503 0.000 1.148 80 Y CB 0.105 38.113 38.460 -0.754 0.000 0.981 80 Y HN 0.154 nan 8.280 nan 0.000 0.507 81 M N -0.871 118.683 119.600 -0.076 0.000 2.447 81 M HA 0.182 4.663 4.480 0.002 0.000 0.264 81 M C 1.479 177.733 176.300 -0.077 0.000 1.095 81 M CA 1.222 56.485 55.300 -0.061 0.000 1.125 81 M CB -1.255 31.327 32.600 -0.030 0.000 1.389 81 M HN 0.439 nan 8.290 nan 0.000 0.459 82 G N 1.552 110.298 108.800 -0.091 0.000 2.256 82 G HA2 -0.043 3.918 3.960 0.002 0.000 0.272 82 G HA3 -0.043 3.918 3.960 0.002 0.000 0.272 82 G C -0.037 174.833 174.900 -0.050 0.000 1.076 82 G CA 0.332 45.387 45.100 -0.074 0.000 0.882 82 G HN 0.840 nan 8.290 nan 0.000 0.497 83 A N -0.924 121.868 122.820 -0.048 0.000 2.549 83 A HA 0.929 5.250 4.320 0.002 0.000 0.297 83 A C -0.143 177.418 177.584 -0.037 0.000 1.061 83 A CA 0.247 52.260 52.037 -0.039 0.000 0.690 83 A CB 1.619 20.597 19.000 -0.037 0.000 1.287 83 A HN 0.889 nan 8.150 nan 0.000 0.402 84 T N 1.520 116.053 114.554 -0.034 0.000 2.885 84 T HA 0.498 4.849 4.350 0.002 0.000 0.285 84 T C -0.406 174.275 174.700 -0.030 0.000 1.019 84 T CA -0.416 61.667 62.100 -0.029 0.000 1.010 84 T CB 1.253 70.105 68.868 -0.026 0.000 1.022 84 T HN 0.656 nan 8.240 nan 0.000 0.466 85 L N 3.151 124.362 121.223 -0.020 0.000 2.500 85 L HA 0.466 4.807 4.340 0.002 0.000 0.272 85 L C 1.113 177.966 176.870 -0.028 0.000 1.149 85 L CA 1.285 56.112 54.840 -0.021 0.000 0.897 85 L CB -0.632 41.430 42.059 0.005 0.000 1.178 85 L HN 1.015 nan 8.230 nan 0.000 0.473 86 G N 2.894 111.664 108.800 -0.051 0.000 2.165 86 G HA2 -0.220 3.741 3.960 0.002 0.000 0.226 86 G HA3 -0.220 3.741 3.960 0.002 0.000 0.226 86 G C -0.243 174.625 174.900 -0.053 0.000 1.035 86 G CA 0.119 45.185 45.100 -0.057 0.000 0.744 86 G HN 0.790 nan 8.290 nan 0.000 0.501 87 D N -0.263 120.102 120.400 -0.058 0.000 2.462 87 D HA 0.497 5.138 4.640 0.002 0.000 0.245 87 D C -1.098 175.163 176.300 -0.065 0.000 1.122 87 D CA -2.064 51.906 54.000 -0.052 0.000 0.864 87 D CB 1.800 42.576 40.800 -0.041 0.000 1.098 87 D HN 0.035 nan 8.370 nan 0.000 0.541 88 P HA -0.156 nan 4.420 nan 0.000 0.219 88 P C 1.251 178.511 177.300 -0.066 0.000 1.146 88 P CA 1.339 64.392 63.100 -0.078 0.000 0.808 88 P CB 0.257 31.917 31.700 -0.067 0.000 0.779 89 Q N -1.297 118.473 119.800 -0.050 0.000 2.163 89 Q HA 0.030 4.371 4.340 0.002 0.000 0.198 89 Q C 1.311 177.286 176.000 -0.040 0.000 0.954 89 Q CA 0.917 56.696 55.803 -0.041 0.000 0.851 89 Q CB -0.334 28.386 28.738 -0.031 0.000 0.928 89 Q HN -0.004 nan 8.270 nan 0.000 0.459 90 R N 2.040 122.515 120.500 -0.041 0.000 2.681 90 R HA 0.351 4.692 4.340 0.002 0.000 0.277 90 R C -2.876 173.398 176.300 -0.043 0.000 1.563 90 R CA -1.754 54.324 56.100 -0.037 0.000 1.673 90 R CB -0.396 29.885 30.300 -0.031 0.000 1.258 90 R HN 0.332 nan 8.270 nan 0.000 0.650 91 P HA 0.188 nan 4.420 nan 0.000 0.268 91 P C -0.743 176.529 177.300 -0.047 0.000 1.205 91 P CA -0.263 62.797 63.100 -0.066 0.000 0.771 91 P CB 1.464 33.105 31.700 -0.099 0.000 0.858 92 L N 4.482 125.674 121.223 -0.053 0.000 2.372 92 L HA 0.413 4.754 4.340 0.002 0.000 0.273 92 L C -1.068 175.769 176.870 -0.055 0.000 0.989 92 L CA -0.549 54.265 54.840 -0.044 0.000 0.841 92 L CB 0.886 42.920 42.059 -0.042 0.000 1.225 92 L HN 0.230 nan 8.230 nan 0.000 0.414 93 L N 5.446 126.647 121.223 -0.036 0.000 2.334 93 L HA 0.598 4.939 4.340 0.002 0.000 0.275 93 L C -0.590 176.235 176.870 -0.074 0.000 1.036 93 L CA -0.670 54.135 54.840 -0.060 0.000 0.807 93 L CB 1.718 43.789 42.059 0.020 0.000 1.231 93 L HN 0.548 nan 8.230 nan 0.000 0.438 94 L N 1.240 122.411 121.223 -0.087 0.000 2.323 94 L HA 0.586 4.927 4.340 0.002 0.000 0.265 94 L C -0.168 176.670 176.870 -0.053 0.000 1.012 94 L CA -0.569 54.224 54.840 -0.078 0.000 0.820 94 L CB 2.297 44.320 42.059 -0.059 0.000 1.334 94 L HN 0.653 nan 8.230 nan 0.000 0.427 95 S N 0.547 116.213 115.700 -0.057 0.000 2.482 95 S HA 0.791 5.262 4.470 0.002 0.000 0.303 95 S C -0.883 173.706 174.600 -0.018 0.000 1.091 95 S CA -0.668 57.520 58.200 -0.020 0.000 1.057 95 S CB 1.876 65.054 63.200 -0.036 0.000 1.031 95 S HN 0.253 nan 8.310 nan 0.000 0.485 96 V N 3.842 123.772 119.914 0.026 0.000 2.444 96 V HA 0.598 4.719 4.120 0.002 0.000 0.294 96 V C -0.050 176.056 176.094 0.021 0.000 1.022 96 V CA -0.634 61.675 62.300 0.014 0.000 0.850 96 V CB 1.243 33.099 31.823 0.055 0.000 0.992 96 V HN 0.939 nan 8.190 nan 0.000 0.426 97 R N 2.085 122.588 120.500 0.005 0.000 2.807 97 R HA 0.737 5.078 4.340 0.002 0.000 0.276 97 R C -0.029 176.282 176.300 0.017 0.000 0.979 97 R CA -0.512 55.598 56.100 0.016 0.000 0.928 97 R CB 2.542 32.851 30.300 0.015 0.000 1.191 97 R HN 0.842 nan 8.270 nan 0.000 0.471 98 S N -0.333 115.386 115.700 0.032 0.000 2.590 98 S HA 0.869 5.340 4.470 0.002 0.000 0.282 98 S C 0.170 174.802 174.600 0.053 0.000 1.136 98 S CA -0.398 57.833 58.200 0.051 0.000 1.030 98 S CB 1.630 64.879 63.200 0.081 0.000 1.195 98 S HN 0.863 nan 8.310 nan 0.000 0.506 99 G N -0.846 107.998 108.800 0.073 0.000 2.414 99 G HA2 0.561 4.522 3.960 0.002 0.000 0.213 99 G HA3 0.561 4.522 3.960 0.002 0.000 0.213 99 G C -0.520 174.407 174.900 0.046 0.000 1.444 99 G CA -0.376 44.761 45.100 0.061 0.000 1.076 99 G HN 1.034 nan 8.290 nan 0.000 0.638 100 A N 1.579 124.445 122.820 0.077 0.000 2.517 100 A HA 0.996 5.317 4.320 0.002 0.000 0.280 100 A C 1.925 179.530 177.584 0.035 0.000 1.353 100 A CA 0.602 52.652 52.037 0.022 0.000 0.907 100 A CB 0.294 19.382 19.000 0.146 0.000 1.495 100 A HN 2.274 nan 8.150 nan 0.000 0.506 101 A N -1.385 121.456 122.820 0.035 0.000 1.929 101 A HA 0.376 4.697 4.320 0.002 0.000 0.216 101 A C 0.778 178.404 177.584 0.070 0.000 1.176 101 A CA 1.688 53.749 52.037 0.040 0.000 0.628 101 A CB -0.533 18.489 19.000 0.037 0.000 0.816 101 A HN 0.739 nan 8.150 nan 0.000 0.444 102 V N -0.934 119.050 119.914 0.116 0.000 3.046 102 V HA 0.362 4.483 4.120 0.002 0.000 0.316 102 V C 0.330 176.492 176.094 0.114 0.000 1.104 102 V CA -0.879 61.492 62.300 0.118 0.000 1.006 102 V CB 1.779 33.693 31.823 0.151 0.000 1.058 102 V HN 0.256 nan 8.190 nan 0.000 0.440 103 S N 2.264 118.011 115.700 0.078 0.000 2.561 103 S HA 0.290 4.761 4.470 0.002 0.000 0.294 103 S C -0.276 174.290 174.600 -0.056 0.000 1.294 103 S CA 0.369 58.576 58.200 0.011 0.000 1.055 103 S CB -0.114 63.083 63.200 -0.004 0.000 0.819 103 S HN 0.625 nan 8.310 nan 0.000 0.503 104 M N 4.846 124.373 119.600 -0.122 0.000 2.265 104 M HA 0.372 4.853 4.480 0.002 0.000 0.251 104 M C -2.772 173.395 176.300 -0.222 0.000 1.005 104 M CA -1.569 53.602 55.300 -0.216 0.000 0.998 104 M CB 1.778 34.431 32.600 0.088 0.000 2.070 104 M HN 0.305 nan 8.290 nan 0.000 0.476 105 P HA 0.555 nan 4.420 nan 0.000 0.277 105 P C 0.519 177.742 177.300 -0.128 0.000 1.271 105 P CA 0.708 63.679 63.100 -0.215 0.000 0.795 105 P CB 0.959 32.510 31.700 -0.248 0.000 1.101 106 G N -0.908 107.851 108.800 -0.069 0.000 2.184 106 G HA2 -0.208 3.753 3.960 0.002 0.000 0.264 106 G HA3 -0.208 3.753 3.960 0.002 0.000 0.264 106 G C 0.416 175.314 174.900 -0.003 0.000 0.975 106 G CA 0.071 45.147 45.100 -0.040 0.000 0.642 106 G HN 0.420 nan 8.290 nan 0.000 0.536 107 M N 0.293 119.904 119.600 0.018 0.000 2.228 107 M HA 0.394 4.875 4.480 0.002 0.000 0.326 107 M C 1.128 177.459 176.300 0.052 0.000 1.122 107 M CA -0.538 54.808 55.300 0.077 0.000 1.161 107 M CB 0.709 33.373 32.600 0.107 0.000 1.437 107 M HN 0.355 nan 8.290 nan 0.000 0.465 108 M N 2.122 121.761 119.600 0.064 0.000 2.260 108 M HA 0.079 4.561 4.480 0.002 0.000 0.348 108 M C 0.104 176.421 176.300 0.028 0.000 1.342 108 M CA 0.392 55.713 55.300 0.036 0.000 1.040 108 M CB 0.195 32.812 32.600 0.030 0.000 1.810 108 M HN 0.815 nan 8.290 nan 0.000 0.453 109 D N 3.579 123.989 120.400 0.017 0.000 2.362 109 D HA 0.232 4.873 4.640 0.002 0.000 0.242 109 D C -0.075 176.241 176.300 0.027 0.000 1.132 109 D CA -0.258 53.752 54.000 0.018 0.000 0.907 109 D CB 0.340 41.147 40.800 0.011 0.000 1.195 109 D HN 0.803 nan 8.370 nan 0.000 0.429 110 T N 0.202 114.774 114.554 0.031 0.000 2.934 110 T HA 0.370 4.721 4.350 0.002 0.000 0.306 110 T C 0.187 174.926 174.700 0.064 0.000 1.042 110 T CA -0.084 62.041 62.100 0.041 0.000 1.145 110 T CB 0.595 69.483 68.868 0.033 0.000 0.982 110 T HN 0.380 nan 8.240 nan 0.000 0.544 111 V N 5.438 125.407 119.914 0.092 0.000 2.350 111 V HA 0.379 4.500 4.120 0.002 0.000 0.285 111 V C 0.055 176.251 176.094 0.170 0.000 1.014 111 V CA -0.687 61.711 62.300 0.164 0.000 0.831 111 V CB 1.012 32.972 31.823 0.229 0.000 1.000 111 V HN 0.680 nan 8.190 nan 0.000 0.433 112 L N 4.493 125.821 121.223 0.176 0.000 2.375 112 L HA 0.602 4.943 4.340 0.002 0.000 0.268 112 L C 0.873 177.819 176.870 0.126 0.000 1.058 112 L CA -0.721 54.190 54.840 0.119 0.000 0.803 112 L CB 0.885 42.996 42.059 0.085 0.000 1.212 112 L HN 0.655 nan 8.230 nan 0.000 0.451 113 N N 0.666 119.368 118.700 0.003 0.000 2.741 113 N HA -0.209 4.532 4.740 0.002 0.000 0.251 113 N C -0.375 174.820 175.510 -0.525 0.000 1.112 113 N CA 0.706 53.667 53.050 -0.147 0.000 0.750 113 N CB -1.240 37.181 38.487 -0.109 0.000 1.119 113 N HN 0.513 nan 8.380 nan 0.000 0.561 114 L N -0.039 120.996 121.223 -0.313 0.000 2.490 114 L HA 0.352 4.693 4.340 0.002 0.000 0.274 114 L C 1.400 178.053 176.870 -0.363 0.000 1.201 114 L CA 1.411 56.031 54.840 -0.367 0.000 0.869 114 L CB 0.186 42.308 42.059 0.106 0.000 1.123 114 L HN 0.446 nan 8.230 nan 0.000 0.484 115 G N 3.668 112.231 108.800 -0.396 0.000 2.205 115 G HA2 -0.176 3.785 3.960 0.002 0.000 0.180 115 G HA3 -0.176 3.785 3.960 0.002 0.000 0.180 115 G C -0.167 174.568 174.900 -0.274 0.000 1.004 115 G CA -0.139 44.821 45.100 -0.233 0.000 0.670 115 G HN 0.516 nan 8.290 nan 0.000 0.496 116 L N 1.105 122.065 121.223 -0.438 0.000 2.439 116 L HA 0.650 4.991 4.340 0.002 0.000 0.261 116 L C 0.580 177.406 176.870 -0.072 0.000 1.153 116 L CA -0.196 54.425 54.840 -0.365 0.000 0.808 116 L CB 1.185 42.955 42.059 -0.481 0.000 1.126 116 L HN 0.616 nan 8.230 nan 0.000 0.460 117 N N -1.574 116.932 118.700 -0.322 0.000 3.387 117 N HA 0.106 4.847 4.740 0.002 0.000 0.294 117 N C -0.299 174.970 175.510 -0.402 0.000 1.519 117 N CA -0.697 52.322 53.050 -0.052 0.000 0.875 117 N CB 0.255 38.770 38.487 0.046 0.000 1.657 117 N HN 0.282 nan 8.380 nan 0.000 0.527 118 D N 0.154 120.556 120.400 0.004 0.000 2.104 118 D HA -0.133 4.508 4.640 0.002 0.000 0.194 118 D C 0.987 177.252 176.300 -0.058 0.000 0.994 118 D CA 1.660 55.688 54.000 0.047 0.000 0.830 118 D CB 0.078 40.986 40.800 0.180 0.000 0.959 118 D HN 0.646 nan 8.370 nan 0.000 0.452 119 E N 0.508 120.673 120.200 -0.058 0.000 2.047 119 E HA -0.090 4.261 4.350 0.002 0.000 0.191 119 E C 2.430 178.949 176.600 -0.135 0.000 0.987 119 E CA 0.561 56.921 56.400 -0.067 0.000 0.799 119 E CB -0.018 29.656 29.700 -0.044 0.000 0.752 119 E HN 0.074 nan 8.360 nan 0.000 0.449 120 V N 1.756 121.558 119.914 -0.187 0.000 2.490 120 V HA -0.262 3.859 4.120 0.002 0.000 0.250 120 V C 2.383 178.280 176.094 -0.328 0.000 1.061 120 V CA 1.757 63.920 62.300 -0.229 0.000 1.064 120 V CB -0.760 30.920 31.823 -0.238 0.000 0.670 120 V HN 0.302 nan 8.190 nan 0.000 0.461 121 A N -0.033 122.510 122.820 -0.463 0.000 1.933 121 A HA -0.074 4.247 4.320 0.002 0.000 0.218 121 A C 2.392 179.659 177.584 -0.528 0.000 1.175 121 A CA 2.008 53.664 52.037 -0.634 0.000 0.628 121 A CB -0.589 17.886 19.000 -0.874 0.000 0.814 121 A HN 0.565 nan 8.150 nan 0.000 0.444 122 A N -0.673 121.982 122.820 -0.274 0.000 1.930 122 A HA 0.247 4.568 4.320 0.002 0.000 0.215 122 A C 2.347 179.853 177.584 -0.131 0.000 1.176 122 A CA 1.533 53.499 52.037 -0.119 0.000 0.632 122 A CB -1.197 17.814 19.000 0.017 0.000 0.819 122 A HN 0.700 nan 8.150 nan 0.000 0.445 123 G N -0.402 108.311 108.800 -0.145 0.000 2.470 123 G HA2 -0.077 3.884 3.960 0.002 0.000 0.220 123 G HA3 -0.077 3.884 3.960 0.002 0.000 0.220 123 G C 1.411 176.220 174.900 -0.152 0.000 1.121 123 G CA 1.191 46.218 45.100 -0.122 0.000 0.766 123 G HN 0.460 nan 8.290 nan 0.000 0.553 124 L N 0.920 122.008 121.223 -0.224 0.000 2.209 124 L HA 0.403 4.744 4.340 0.002 0.000 0.207 124 L C 2.860 179.599 176.870 -0.217 0.000 1.094 124 L CA 1.645 56.330 54.840 -0.259 0.000 0.790 124 L CB -0.473 41.369 42.059 -0.362 0.000 0.932 124 L HN 0.155 nan 8.230 nan 0.000 0.447 125 A N -0.368 122.323 122.820 -0.215 0.000 2.125 125 A HA -0.011 4.310 4.320 0.002 0.000 0.219 125 A C 2.404 179.949 177.584 -0.066 0.000 1.156 125 A CA 1.302 53.263 52.037 -0.127 0.000 0.671 125 A CB -0.924 18.023 19.000 -0.088 0.000 0.794 125 A HN 0.561 nan 8.150 nan 0.000 0.459 126 A N 0.279 123.054 122.820 -0.075 0.000 1.849 126 A HA -0.229 4.092 4.320 0.002 0.000 0.217 126 A C 2.086 179.646 177.584 -0.039 0.000 1.202 126 A CA 2.485 54.493 52.037 -0.047 0.000 0.629 126 A CB -0.358 18.611 19.000 -0.052 0.000 0.834 126 A HN 0.446 nan 8.150 nan 0.000 0.447 127 K N -1.381 118.989 120.400 -0.052 0.000 2.335 127 K HA 0.213 4.534 4.320 0.002 0.000 0.195 127 K C 1.813 178.385 176.600 -0.047 0.000 1.058 127 K CA 1.214 57.478 56.287 -0.038 0.000 0.988 127 K CB 0.044 32.528 32.500 -0.028 0.000 0.880 127 K HN 0.315 nan 8.250 nan 0.000 0.513 128 S N -0.164 115.492 115.700 -0.073 0.000 2.501 128 S HA 0.304 4.775 4.470 0.002 0.000 0.220 128 S C 0.262 174.848 174.600 -0.025 0.000 0.997 128 S CA 0.435 58.590 58.200 -0.075 0.000 0.919 128 S CB 0.148 63.283 63.200 -0.107 0.000 0.778 128 S HN 0.616 nan 8.310 nan 0.000 0.523 129 G N 0.406 109.197 108.800 -0.014 0.000 2.650 129 G HA2 0.125 4.086 3.960 0.002 0.000 0.686 129 G HA3 0.125 4.086 3.960 0.002 0.000 0.686 129 G C 0.190 175.118 174.900 0.046 0.000 1.205 129 G CA -0.009 45.104 45.100 0.021 0.000 0.781 129 G HN 0.214 nan 8.290 nan 0.000 0.648 130 E N 1.573 121.822 120.200 0.082 0.000 2.047 130 E HA -0.164 4.188 4.350 0.002 0.000 0.191 130 E C 2.544 179.272 176.600 0.213 0.000 0.987 130 E CA 2.280 58.783 56.400 0.171 0.000 0.799 130 E CB -0.468 29.356 29.700 0.207 0.000 0.752 130 E HN 1.038 nan 8.360 nan 0.000 0.449 131 R N -0.313 120.283 120.500 0.161 0.000 2.096 131 R HA -0.104 4.237 4.340 0.002 0.000 0.240 131 R C 2.167 178.576 176.300 0.181 0.000 1.139 131 R CA 1.843 58.038 56.100 0.158 0.000 0.952 131 R CB -1.445 28.927 30.300 0.120 0.000 0.854 131 R HN 0.481 nan 8.270 nan 0.000 0.436 132 F N 1.956 121.905 119.950 -0.001 0.000 2.098 132 F HA 0.100 4.628 4.527 0.002 0.000 0.294 132 F C 2.650 178.403 175.800 -0.078 0.000 1.107 132 F CA 1.163 59.143 58.000 -0.033 0.000 1.234 132 F CB -0.708 38.251 39.000 -0.069 0.000 1.002 132 F HN 0.166 nan 8.300 nan 0.000 0.472 133 A N -0.412 122.322 122.820 -0.144 0.000 1.903 133 A HA -0.285 4.036 4.320 0.002 0.000 0.219 133 A C 2.065 179.391 177.584 -0.431 0.000 1.191 133 A CA 2.222 54.015 52.037 -0.408 0.000 0.638 133 A CB -1.657 17.052 19.000 -0.486 0.000 0.823 133 A HN 0.539 nan 8.150 nan 0.000 0.451 134 Y N -0.699 119.578 120.300 -0.037 0.000 2.457 134 Y HA -0.042 4.509 4.550 0.002 0.000 0.292 134 Y C 2.197 178.106 175.900 0.015 0.000 1.125 134 Y CA 1.009 59.139 58.100 0.049 0.000 1.254 134 Y CB -0.370 38.117 38.460 0.045 0.000 1.012 134 Y HN 0.479 nan 8.280 nan 0.000 0.555 135 D N -0.809 119.613 120.400 0.037 0.000 2.123 135 D HA -0.124 4.517 4.640 0.002 0.000 0.200 135 D C 2.074 178.329 176.300 -0.076 0.000 0.976 135 D CA 1.562 55.556 54.000 -0.009 0.000 0.831 135 D CB 0.060 40.854 40.800 -0.010 0.000 0.974 135 D HN 0.076 nan 8.370 nan 0.000 0.469 136 S N -0.406 115.138 115.700 -0.261 0.000 2.382 136 S HA -0.115 4.356 4.470 0.002 0.000 0.228 136 S C 1.625 176.252 174.600 0.045 0.000 1.027 136 S CA 0.432 58.483 58.200 -0.249 0.000 0.991 136 S CB -0.447 62.440 63.200 -0.523 0.000 0.823 136 S HN 0.322 nan 8.310 nan 0.000 0.469 137 F N 3.576 123.449 119.950 -0.128 0.000 2.146 137 F HA -0.071 4.457 4.527 0.002 0.000 0.298 137 F C 2.318 178.144 175.800 0.044 0.000 1.096 137 F CA 1.119 59.108 58.000 -0.017 0.000 1.275 137 F CB -0.705 38.271 39.000 -0.040 0.000 1.008 137 F HN 0.172 nan 8.300 nan 0.000 0.480 138 R N 0.408 120.955 120.500 0.078 0.000 2.073 138 R HA -0.150 4.191 4.340 0.002 0.000 0.234 138 R C 2.239 178.600 176.300 0.102 0.000 1.134 138 R CA 1.834 57.962 56.100 0.048 0.000 0.952 138 R CB -0.748 29.550 30.300 -0.003 0.000 0.850 138 R HN 0.186 nan 8.270 nan 0.000 0.433 139 R N -0.422 120.120 120.500 0.069 0.000 2.081 139 R HA -0.120 4.221 4.340 0.002 0.000 0.235 139 R C 2.276 178.573 176.300 -0.004 0.000 1.131 139 R CA 1.702 57.815 56.100 0.022 0.000 0.960 139 R CB -0.570 29.754 30.300 0.040 0.000 0.856 139 R HN 0.251 nan 8.270 nan 0.000 0.436 140 F N 1.624 121.551 119.950 -0.037 0.000 2.134 140 F HA -0.139 4.389 4.527 0.002 0.000 0.299 140 F C 1.833 177.608 175.800 -0.042 0.000 1.097 140 F CA 1.330 59.335 58.000 0.009 0.000 1.264 140 F CB -0.321 38.727 39.000 0.079 0.000 1.001 140 F HN -0.105 nan 8.300 nan 0.000 0.479 141 L N 0.119 121.103 121.223 -0.398 0.000 2.042 141 L HA -0.250 4.091 4.340 0.002 0.000 0.210 141 L C 2.501 178.959 176.870 -0.686 0.000 1.076 141 L CA 1.896 56.396 54.840 -0.566 0.000 0.749 141 L CB -0.861 40.880 42.059 -0.529 0.000 0.893 141 L HN 0.261 nan 8.230 nan 0.000 0.432 142 D N -0.120 119.692 120.400 -0.980 0.000 2.084 142 D HA -0.235 4.406 4.640 0.002 0.000 0.196 142 D C 2.202 178.107 176.300 -0.659 0.000 0.985 142 D CA 1.465 54.586 54.000 -1.464 0.000 0.826 142 D CB 0.116 40.305 40.800 -1.019 0.000 0.978 142 D HN 0.120 nan 8.370 nan 0.000 0.456 143 M N 0.037 119.421 119.600 -0.361 0.000 2.065 143 M HA -0.137 4.344 4.480 0.002 0.000 0.259 143 M C 2.118 178.330 176.300 -0.145 0.000 1.071 143 M CA 1.432 56.632 55.300 -0.166 0.000 1.109 143 M CB -1.182 31.400 32.600 -0.029 0.000 1.313 143 M HN 0.104 nan 8.290 nan 0.000 0.408 144 F N 0.260 119.977 119.950 -0.388 0.000 2.126 144 F HA -0.005 4.523 4.527 0.002 0.000 0.299 144 F C 1.994 177.699 175.800 -0.158 0.000 1.096 144 F CA 2.015 59.823 58.000 -0.320 0.000 1.255 144 F CB -0.992 37.549 39.000 -0.765 0.000 0.997 144 F HN 0.250 nan 8.300 nan 0.000 0.479 145 G N -0.418 108.343 108.800 -0.065 0.000 2.418 145 G HA2 -0.372 3.589 3.960 0.002 0.000 0.217 145 G HA3 -0.372 3.589 3.960 0.002 0.000 0.217 145 G C 1.433 176.236 174.900 -0.161 0.000 1.158 145 G CA 1.073 46.078 45.100 -0.158 0.000 0.771 145 G HN 0.460 nan 8.290 nan 0.000 0.545 146 N N -0.303 118.335 118.700 -0.104 0.000 2.220 146 N HA -0.060 4.681 4.740 0.002 0.000 0.182 146 N C 2.101 177.544 175.510 -0.112 0.000 1.023 146 N CA 1.321 54.331 53.050 -0.067 0.000 0.856 146 N CB -0.087 38.387 38.487 -0.022 0.000 0.997 146 N HN 0.116 nan 8.380 nan 0.000 0.429 147 V N -0.382 119.450 119.914 -0.137 0.000 2.591 147 V HA -0.018 4.103 4.120 0.002 0.000 0.249 147 V C 1.972 177.956 176.094 -0.183 0.000 1.053 147 V CA 1.054 63.280 62.300 -0.123 0.000 1.068 147 V CB -0.009 31.766 31.823 -0.080 0.000 0.689 147 V HN 0.173 nan 8.190 nan 0.000 0.462 148 V N -1.312 118.394 119.914 -0.346 0.000 2.788 148 V HA 0.096 4.217 4.120 0.002 0.000 0.241 148 V C 1.866 177.749 176.094 -0.353 0.000 1.083 148 V CA 0.904 62.936 62.300 -0.447 0.000 1.103 148 V CB -0.036 31.206 31.823 -0.968 0.000 0.800 148 V HN 0.361 nan 8.190 nan 0.000 0.476 149 M N -0.350 119.040 119.600 -0.350 0.000 2.428 149 M HA 0.250 4.731 4.480 0.002 0.000 0.239 149 M C 0.707 176.921 176.300 -0.143 0.000 1.121 149 M CA 0.316 55.502 55.300 -0.190 0.000 1.019 149 M CB -0.987 31.529 32.600 -0.139 0.000 1.485 149 M HN 0.436 nan 8.290 nan 0.000 0.484 150 D N 2.016 122.332 120.400 -0.140 0.000 2.689 150 D HA -0.181 4.460 4.640 0.002 0.000 0.237 150 D C -0.806 175.428 176.300 -0.110 0.000 1.148 150 D CA 0.427 54.367 54.000 -0.100 0.000 0.656 150 D CB -0.967 39.791 40.800 -0.070 0.000 1.050 150 D HN 0.426 nan 8.370 nan 0.000 0.426 151 I N 0.263 120.754 120.570 -0.132 0.000 2.331 151 I HA 0.328 4.499 4.170 0.002 0.000 0.292 151 I C -1.794 174.251 176.117 -0.121 0.000 0.998 151 I CA -2.200 58.996 61.300 -0.173 0.000 1.267 151 I CB 1.413 39.249 38.000 -0.273 0.000 1.386 151 I HN -0.087 nan 8.210 nan 0.000 0.476 152 P HA 0.072 nan 4.420 nan 0.000 0.262 152 P C 0.237 177.482 177.300 -0.092 0.000 1.182 152 P CA 0.116 63.149 63.100 -0.111 0.000 0.761 152 P CB 0.517 32.142 31.700 -0.125 0.000 0.795 153 R N 2.029 122.532 120.500 0.005 0.000 2.091 153 R HA -0.158 4.183 4.340 0.002 0.000 0.238 153 R C 2.330 178.652 176.300 0.037 0.000 1.136 153 R CA 2.138 58.295 56.100 0.095 0.000 0.959 153 R CB -0.778 29.552 30.300 0.050 0.000 0.856 153 R HN 0.607 nan 8.270 nan 0.000 0.437 154 S N 1.250 116.935 115.700 -0.025 0.000 2.392 154 S HA -0.191 4.280 4.470 0.002 0.000 0.232 154 S C 2.000 176.551 174.600 -0.083 0.000 1.041 154 S CA 1.252 59.430 58.200 -0.036 0.000 1.026 154 S CB -0.609 62.564 63.200 -0.045 0.000 0.845 154 S HN 0.268 nan 8.310 nan 0.000 0.465 155 L N -0.777 120.324 121.223 -0.205 0.000 2.079 155 L HA -0.062 4.279 4.340 0.002 0.000 0.210 155 L C 2.462 179.118 176.870 -0.357 0.000 1.081 155 L CA 1.513 56.149 54.840 -0.341 0.000 0.752 155 L CB -0.595 41.126 42.059 -0.563 0.000 0.896 155 L HN 0.279 nan 8.230 nan 0.000 0.433 156 F N -0.199 119.656 119.950 -0.158 0.000 2.147 156 F HA -0.078 4.450 4.527 0.002 0.000 0.291 156 F C 2.646 178.472 175.800 0.044 0.000 1.093 156 F CA 0.660 58.520 58.000 -0.233 0.000 1.263 156 F CB -0.545 38.078 39.000 -0.629 0.000 1.036 156 F HN -0.056 nan 8.300 nan 0.000 0.481 157 E N 0.607 120.925 120.200 0.196 0.000 2.209 157 E HA -0.257 4.094 4.350 0.002 0.000 0.196 157 E C 1.998 178.671 176.600 0.122 0.000 0.993 157 E CA 1.064 57.559 56.400 0.159 0.000 0.819 157 E CB -0.551 29.204 29.700 0.092 0.000 0.745 157 E HN 0.579 nan 8.360 nan 0.000 0.477 158 E N 0.683 120.931 120.200 0.080 0.000 2.153 158 E HA -0.179 4.172 4.350 0.002 0.000 0.194 158 E C 1.590 178.235 176.600 0.076 0.000 0.988 158 E CA 0.887 57.315 56.400 0.046 0.000 0.811 158 E CB 0.281 29.979 29.700 -0.003 0.000 0.746 158 E HN 0.001 nan 8.360 nan 0.000 0.466 159 K N 0.393 120.883 120.400 0.149 0.000 2.098 159 K HA -0.026 4.295 4.320 0.002 0.000 0.203 159 K C 2.277 178.946 176.600 0.114 0.000 1.051 159 K CA 0.300 56.681 56.287 0.156 0.000 0.957 159 K CB -0.456 32.216 32.500 0.286 0.000 0.738 159 K HN 0.244 nan 8.250 nan 0.000 0.447 160 L N 2.067 123.395 121.223 0.174 0.000 2.046 160 L HA -0.238 4.103 4.340 0.002 0.000 0.208 160 L C 2.739 179.641 176.870 0.054 0.000 1.077 160 L CA 2.220 57.114 54.840 0.089 0.000 0.747 160 L CB -0.511 41.640 42.059 0.154 0.000 0.896 160 L HN 0.286 nan 8.230 nan 0.000 0.432 161 E N -0.723 119.516 120.200 0.065 0.000 2.058 161 E HA -0.365 3.986 4.350 0.002 0.000 0.194 161 E C 2.000 178.615 176.600 0.025 0.000 0.997 161 E CA 2.158 58.583 56.400 0.040 0.000 0.801 161 E CB -1.973 27.750 29.700 0.039 0.000 0.746 161 E HN 0.841 nan 8.360 nan 0.000 0.450 162 H N -0.658 118.427 119.070 0.025 0.000 2.353 162 H HA 0.052 4.609 4.556 0.002 0.000 0.298 162 H C 2.342 177.673 175.328 0.004 0.000 1.103 162 H CA 2.620 58.676 56.048 0.013 0.000 1.293 162 H CB -0.602 29.169 29.762 0.014 0.000 1.372 162 H HN 0.552 nan 8.280 nan 0.000 0.501 163 M N 0.936 120.536 119.600 -0.000 0.000 2.065 163 M HA -0.127 4.354 4.480 0.002 0.000 0.259 163 M C 2.747 179.042 176.300 -0.008 0.000 1.071 163 M CA 3.441 58.733 55.300 -0.014 0.000 1.109 163 M CB -0.298 32.282 32.600 -0.032 0.000 1.313 163 M HN 0.551 nan 8.290 nan 0.000 0.408 164 K N 0.159 120.559 120.400 -0.001 0.000 2.217 164 K HA 0.029 4.350 4.320 0.002 0.000 0.202 164 K C 1.800 178.403 176.600 0.004 0.000 1.051 164 K CA 1.790 58.079 56.287 0.002 0.000 0.952 164 K CB -1.925 nan 32.500 nan 0.000 0.736 164 K HN 0.757 nan 8.250 nan 0.000 0.453 165 E N 0.543 120.747 120.200 0.005 0.000 2.204 165 E HA -0.054 4.297 4.350 0.002 0.000 0.194 165 E C 2.195 178.796 176.600 0.002 0.000 0.989 165 E CA 1.622 58.025 56.400 0.005 0.000 0.824 165 E CB -0.545 29.159 29.700 0.007 0.000 0.756 165 E HN 0.649 nan 8.360 nan 0.000 0.477 166 S N -0.850 114.849 115.700 -0.001 0.000 2.468 166 S HA 0.188 4.659 4.470 0.002 0.000 0.226 166 S C 2.531 177.128 174.600 -0.004 0.000 1.051 166 S CA 0.799 58.997 58.200 -0.003 0.000 0.943 166 S CB 0.421 63.618 63.200 -0.005 0.000 0.810 166 S HN 0.714 nan 8.310 nan 0.000 0.509 167 K N 1.236 121.632 120.400 -0.006 0.000 2.031 167 K HA 0.331 4.652 4.320 0.002 0.000 0.205 167 K C 1.259 177.858 176.600 -0.003 0.000 1.049 167 K CA 1.261 57.544 56.287 -0.006 0.000 0.939 167 K CB -1.174 31.321 32.500 -0.009 0.000 0.717 167 K HN 0.835 nan 8.250 nan 0.000 0.438 168 G N -2.179 106.620 108.800 -0.000 0.000 2.338 168 G HA2 0.480 4.441 3.960 0.002 0.000 0.115 168 G HA3 0.480 4.441 3.960 0.002 0.000 0.115 168 G C -0.096 174.806 174.900 0.004 0.000 1.053 168 G CA 0.323 45.424 45.100 0.002 0.000 0.733 168 G HN 1.516 nan 8.290 nan 0.000 0.482 169 L N -2.965 118.261 121.223 0.005 0.000 2.630 169 L HA 1.110 5.451 4.340 0.002 0.000 0.258 169 L C 0.580 177.457 176.870 0.011 0.000 1.072 169 L CA 0.225 55.069 54.840 0.008 0.000 0.885 169 L CB 0.725 42.789 42.059 0.008 0.000 1.502 169 L HN 1.279 nan 8.230 nan 0.000 0.406 170 K N -0.478 119.930 120.400 0.013 0.000 2.544 170 K HA 0.573 4.894 4.320 0.002 0.000 0.213 170 K C 0.683 177.295 176.600 0.019 0.000 1.392 170 K CA 1.062 57.359 56.287 0.016 0.000 0.980 170 K CB -0.427 32.082 32.500 0.015 0.000 1.177 170 K HN 2.395 nan 8.250 nan 0.000 0.570 171 N N 2.787 121.498 118.700 0.018 0.000 2.767 171 N HA 0.247 4.988 4.740 0.002 0.000 0.238 171 N C 0.472 175.996 175.510 0.023 0.000 1.083 171 N CA 0.095 53.157 53.050 0.021 0.000 0.964 171 N CB -0.284 38.214 38.487 0.019 0.000 1.252 171 N HN 0.313 nan 8.380 nan 0.000 0.512 172 D N -0.065 120.351 120.400 0.027 0.000 2.407 172 D HA -0.305 4.336 4.640 0.002 0.000 0.197 172 D C 2.161 178.479 176.300 0.029 0.000 1.024 172 D CA 2.294 56.310 54.000 0.028 0.000 0.924 172 D CB -0.693 40.129 40.800 0.036 0.000 0.888 172 D HN 0.757 nan 8.370 nan 0.000 0.456 173 T N -1.560 113.012 114.554 0.032 0.000 3.118 173 T HA -0.145 4.206 4.350 0.002 0.000 0.269 173 T C 0.998 175.714 174.700 0.027 0.000 1.166 173 T CA 0.982 63.102 62.100 0.034 0.000 1.073 173 T CB -0.002 68.885 68.868 0.031 0.000 0.884 173 T HN 0.076 nan 8.240 nan 0.000 0.550 174 D N 0.371 120.784 120.400 0.021 0.000 2.360 174 D HA 0.257 4.898 4.640 0.002 0.000 0.210 174 D C 0.618 176.925 176.300 0.012 0.000 1.047 174 D CA -0.068 53.941 54.000 0.015 0.000 0.854 174 D CB 0.313 41.120 40.800 0.012 0.000 0.936 174 D HN 0.434 nan 8.370 nan 0.000 0.514 175 L N 1.303 122.534 121.223 0.013 0.000 2.436 175 L HA 0.144 4.485 4.340 0.002 0.000 0.265 175 L C 1.291 178.167 176.870 0.010 0.000 1.168 175 L CA -0.091 54.752 54.840 0.005 0.000 0.815 175 L CB 0.978 43.036 42.059 -0.002 0.000 1.109 175 L HN -0.040 nan 8.230 nan 0.000 0.462 176 T N -1.170 113.384 114.554 0.000 0.000 2.897 176 T HA 0.484 4.835 4.350 0.002 0.000 0.278 176 T C 1.027 175.731 174.700 0.006 0.000 0.981 176 T CA -0.184 61.919 62.100 0.005 0.000 0.973 176 T CB 1.577 70.442 68.868 -0.005 0.000 1.092 176 T HN 0.602 nan 8.240 nan 0.000 0.543 177 A N 1.194 124.024 122.820 0.017 0.000 1.883 177 A HA -0.066 4.255 4.320 0.002 0.000 0.217 177 A C 2.655 180.207 177.584 -0.052 0.000 1.186 177 A CA 2.554 54.607 52.037 0.026 0.000 0.624 177 A CB -1.615 17.414 19.000 0.048 0.000 0.822 177 A HN 1.224 nan 8.150 nan 0.000 0.444 178 S N -0.063 115.598 115.700 -0.065 0.000 2.383 178 S HA -0.177 4.294 4.470 0.002 0.000 0.227 178 S C 1.469 176.009 174.600 -0.099 0.000 1.026 178 S CA 1.355 59.494 58.200 -0.102 0.000 0.981 178 S CB -0.545 62.612 63.200 -0.071 0.000 0.818 178 S HN 0.543 nan 8.310 nan 0.000 0.472 179 D N 1.862 122.221 120.400 -0.068 0.000 2.144 179 D HA -0.005 4.636 4.640 0.002 0.000 0.199 179 D C 2.001 178.246 176.300 -0.092 0.000 0.984 179 D CA 1.065 55.024 54.000 -0.069 0.000 0.834 179 D CB -0.288 40.484 40.800 -0.046 0.000 0.955 179 D HN 0.400 nan 8.370 nan 0.000 0.465 180 L N 0.590 121.769 121.223 -0.074 0.000 2.093 180 L HA -0.118 4.223 4.340 0.002 0.000 0.208 180 L C 2.443 179.249 176.870 -0.107 0.000 1.085 180 L CA 0.944 55.741 54.840 -0.070 0.000 0.755 180 L CB -0.166 41.906 42.059 0.022 0.000 0.904 180 L HN -0.076 nan 8.230 nan 0.000 0.435 181 K N -0.062 120.228 120.400 -0.184 0.000 2.057 181 K HA -0.231 4.090 4.320 0.002 0.000 0.207 181 K C 2.062 178.555 176.600 -0.177 0.000 1.049 181 K CA 1.444 57.553 56.287 -0.296 0.000 0.931 181 K CB -0.071 32.162 32.500 -0.444 0.000 0.714 181 K HN 0.270 nan 8.250 nan 0.000 0.440 182 E N 0.710 120.821 120.200 -0.150 0.000 2.106 182 E HA -0.192 4.159 4.350 0.002 0.000 0.192 182 E C 1.968 178.483 176.600 -0.141 0.000 0.984 182 E CA 0.665 56.995 56.400 -0.117 0.000 0.806 182 E CB 0.080 29.723 29.700 -0.095 0.000 0.750 182 E HN 0.076 nan 8.360 nan 0.000 0.458 183 L N 0.354 121.459 121.223 -0.196 0.000 2.141 183 L HA -0.131 4.210 4.340 0.002 0.000 0.209 183 L C 2.149 178.772 176.870 -0.412 0.000 1.094 183 L CA 1.119 55.757 54.840 -0.337 0.000 0.763 183 L CB -0.261 41.550 42.059 -0.414 0.000 0.908 183 L HN 0.006 nan 8.230 nan 0.000 0.437 184 V N -0.143 119.605 119.914 -0.277 0.000 2.332 184 V HA -0.234 3.887 4.120 0.002 0.000 0.248 184 V C 2.583 178.583 176.094 -0.157 0.000 1.055 184 V CA 1.804 63.950 62.300 -0.257 0.000 1.038 184 V CB -1.592 30.148 31.823 -0.138 0.000 0.651 184 V HN 0.619 nan 8.190 nan 0.000 0.450 185 G N -1.222 107.521 108.800 -0.095 0.000 2.418 185 G HA2 -0.257 3.704 3.960 0.002 0.000 0.217 185 G HA3 -0.257 3.704 3.960 0.002 0.000 0.217 185 G C 1.504 176.409 174.900 0.008 0.000 1.158 185 G CA 0.724 45.805 45.100 -0.031 0.000 0.771 185 G HN 0.539 nan 8.290 nan 0.000 0.545 186 Q N -0.922 118.872 119.800 -0.011 0.000 2.124 186 Q HA -0.100 4.241 4.340 0.002 0.000 0.202 186 Q C 2.378 178.510 176.000 0.222 0.000 0.977 186 Q CA 1.031 56.871 55.803 0.060 0.000 0.850 186 Q CB -0.214 28.532 28.738 0.014 0.000 0.901 186 Q HN 0.513 nan 8.270 nan 0.000 0.429 187 Y N 1.195 121.533 120.300 0.063 0.000 2.181 187 Y HA -0.152 4.399 4.550 0.002 0.000 0.288 187 Y C 1.988 178.034 175.900 0.243 0.000 1.146 187 Y CA 0.890 59.109 58.100 0.198 0.000 1.164 187 Y CB -0.240 38.266 38.460 0.077 0.000 0.982 187 Y HN 0.038 nan 8.280 nan 0.000 0.515 188 K N 0.151 120.686 120.400 0.224 0.000 2.209 188 K HA -0.165 4.156 4.320 0.002 0.000 0.204 188 K C 1.728 178.458 176.600 0.216 0.000 1.048 188 K CA 1.270 57.641 56.287 0.140 0.000 0.940 188 K CB -0.095 32.420 32.500 0.025 0.000 0.729 188 K HN 0.474 nan 8.250 nan 0.000 0.451 189 E N 0.299 120.606 120.200 0.178 0.000 2.208 189 E HA -0.110 4.241 4.350 0.002 0.000 0.193 189 E C 1.907 178.583 176.600 0.127 0.000 0.988 189 E CA 0.707 57.185 56.400 0.131 0.000 0.828 189 E CB 0.103 29.855 29.700 0.087 0.000 0.763 189 E HN 0.039 nan 8.360 nan 0.000 0.478 190 V N 0.835 120.836 119.914 0.144 0.000 2.343 190 V HA -0.282 3.839 4.120 0.002 0.000 0.247 190 V C 1.865 177.973 176.094 0.023 0.000 1.051 190 V CA 1.732 64.017 62.300 -0.025 0.000 1.036 190 V CB -0.710 30.937 31.823 -0.293 0.000 0.654 190 V HN 0.227 nan 8.190 nan 0.000 0.451 191 Y N 0.204 120.526 120.300 0.036 0.000 2.128 191 Y HA -0.218 4.333 4.550 0.002 0.000 0.284 191 Y C 2.341 178.272 175.900 0.052 0.000 1.154 191 Y CA 1.687 59.836 58.100 0.081 0.000 1.149 191 Y CB -0.702 37.869 38.460 0.186 0.000 0.976 191 Y HN 0.127 nan 8.280 nan 0.000 0.505 192 L N -1.363 120.001 121.223 0.235 0.000 2.042 192 L HA -0.267 4.074 4.340 0.002 0.000 0.210 192 L C 2.424 179.336 176.870 0.070 0.000 1.076 192 L CA 1.597 56.518 54.840 0.134 0.000 0.749 192 L CB -0.692 41.433 42.059 0.110 0.000 0.893 192 L HN 0.117 nan 8.230 nan 0.000 0.432 193 S N -0.380 115.345 115.700 0.041 0.000 2.357 193 S HA -0.080 4.391 4.470 0.002 0.000 0.221 193 S C 2.113 176.696 174.600 -0.028 0.000 1.031 193 S CA 1.162 59.361 58.200 -0.001 0.000 0.982 193 S CB -0.161 63.025 63.200 -0.023 0.000 0.853 193 S HN 0.489 nan 8.310 nan 0.000 0.458 194 A N 1.437 124.222 122.820 -0.059 0.000 1.878 194 A HA 0.078 4.399 4.320 0.002 0.000 0.213 194 A C 2.057 179.610 177.584 -0.051 0.000 1.192 194 A CA 0.870 52.854 52.037 -0.088 0.000 0.619 194 A CB -0.145 18.750 19.000 -0.174 0.000 0.837 194 A HN 0.192 nan 8.150 nan 0.000 0.446 195 K N -1.896 118.493 120.400 -0.019 0.000 2.211 195 K HA 0.142 4.463 4.320 0.002 0.000 0.201 195 K C 1.250 177.872 176.600 0.037 0.000 1.052 195 K CA 0.961 57.258 56.287 0.016 0.000 0.973 195 K CB 0.048 32.584 32.500 0.059 0.000 0.766 195 K HN 0.778 nan 8.250 nan 0.000 0.466 196 G N 2.241 111.071 108.800 0.051 0.000 2.159 196 G HA2 -0.230 3.731 3.960 0.002 0.000 0.227 196 G HA3 -0.230 3.731 3.960 0.002 0.000 0.227 196 G C -0.284 174.655 174.900 0.064 0.000 0.986 196 G CA 0.477 45.605 45.100 0.047 0.000 0.651 196 G HN 0.436 nan 8.290 nan 0.000 0.523 197 E N -0.391 119.868 120.200 0.098 0.000 2.392 197 E HA 0.641 4.992 4.350 0.002 0.000 0.279 197 E C -3.177 173.522 176.600 0.165 0.000 0.964 197 E CA -2.335 54.129 56.400 0.107 0.000 0.777 197 E CB 2.425 32.180 29.700 0.091 0.000 1.249 197 E HN 0.121 nan 8.360 nan 0.000 0.449 198 P HA 0.013 nan 4.420 nan 0.000 0.272 198 P C -0.373 177.009 177.300 0.136 0.000 1.230 198 P CA -0.417 62.768 63.100 0.141 0.000 0.788 198 P CB 0.389 32.139 31.700 0.083 0.000 0.949 199 F N 4.043 123.888 119.950 -0.175 0.000 2.602 199 F HA 0.134 4.662 4.527 0.002 0.000 0.385 199 F C -1.829 173.903 175.800 -0.113 0.000 1.063 199 F CA -2.299 55.435 58.000 -0.442 0.000 1.233 199 F CB -0.510 37.937 39.000 -0.922 0.000 1.067 199 F HN 0.169 nan 8.300 nan 0.000 0.564 200 P HA 0.008 nan 4.420 nan 0.000 0.264 200 P C 0.119 176.812 177.300 -1.013 0.000 1.236 200 P CA 0.178 62.953 63.100 -0.542 0.000 0.811 200 P CB 0.627 32.216 31.700 -0.185 0.000 0.840 201 S N 0.998 116.289 115.700 -0.680 0.000 2.489 201 S HA -0.072 4.399 4.470 0.002 0.000 0.228 201 S C 0.708 175.156 174.600 -0.253 0.000 0.995 201 S CA 0.071 57.984 58.200 -0.479 0.000 0.934 201 S CB -0.459 62.633 63.200 -0.180 0.000 0.771 201 S HN 0.389 nan 8.310 nan 0.000 0.522 202 D N 3.025 123.305 120.400 -0.201 0.000 2.336 202 D HA 0.315 4.956 4.640 0.002 0.000 0.249 202 D C -1.729 174.526 176.300 -0.076 0.000 1.213 202 D CA -2.462 51.478 54.000 -0.099 0.000 0.870 202 D CB 1.298 42.064 40.800 -0.056 0.000 1.076 202 D HN -0.034 nan 8.370 nan 0.000 0.483 203 P HA -0.210 nan 4.420 nan 0.000 0.218 203 P C 0.834 178.174 177.300 0.067 0.000 1.154 203 P CA 1.691 64.782 63.100 -0.015 0.000 0.872 203 P CB 0.216 31.905 31.700 -0.018 0.000 0.790 204 K N -0.825 119.641 120.400 0.109 0.000 2.211 204 K HA -0.150 4.171 4.320 0.002 0.000 0.203 204 K C 2.052 178.773 176.600 0.202 0.000 1.050 204 K CA 1.048 57.482 56.287 0.246 0.000 0.945 204 K CB -0.167 32.517 32.500 0.306 0.000 0.732 204 K HN -0.022 nan 8.250 nan 0.000 0.451 205 K N 1.645 122.090 120.400 0.074 0.000 2.062 205 K HA -0.099 4.222 4.320 0.002 0.000 0.205 205 K C 1.889 178.558 176.600 0.114 0.000 1.051 205 K CA 1.370 57.672 56.287 0.024 0.000 0.941 205 K CB 0.053 32.544 32.500 -0.016 0.000 0.719 205 K HN 0.086 nan 8.250 nan 0.000 0.440 206 Q N -0.115 119.757 119.800 0.120 0.000 2.030 206 Q HA -0.178 4.163 4.340 0.002 0.000 0.204 206 Q C 1.975 178.185 176.000 0.350 0.000 0.986 206 Q CA 1.745 57.690 55.803 0.236 0.000 0.843 206 Q CB -0.330 28.409 28.738 0.001 0.000 0.904 206 Q HN 0.232 nan 8.270 nan 0.000 0.420 207 L N 1.273 122.658 121.223 0.270 0.000 1.990 207 L HA -0.255 4.086 4.340 0.002 0.000 0.213 207 L C 2.214 179.266 176.870 0.303 0.000 1.072 207 L CA 2.037 57.058 54.840 0.301 0.000 0.755 207 L CB -0.634 41.631 42.059 0.343 0.000 0.889 207 L HN 0.261 nan 8.230 nan 0.000 0.432 208 E N -0.580 119.782 120.200 0.271 0.000 2.049 208 E HA -0.263 4.088 4.350 0.002 0.000 0.198 208 E C 2.256 178.898 176.600 0.069 0.000 1.007 208 E CA 2.023 58.479 56.400 0.093 0.000 0.809 208 E CB -0.292 29.212 29.700 -0.326 0.000 0.749 208 E HN 0.596 nan 8.360 nan 0.000 0.450 209 L N 0.284 121.570 121.223 0.106 0.000 2.083 209 L HA -0.187 4.154 4.340 0.002 0.000 0.209 209 L C 2.692 179.595 176.870 0.056 0.000 1.083 209 L CA 1.037 55.931 54.840 0.090 0.000 0.752 209 L CB -0.496 41.660 42.059 0.161 0.000 0.899 209 L HN 0.220 nan 8.230 nan 0.000 0.433 210 A N -0.223 122.685 122.820 0.147 0.000 1.877 210 A HA -0.152 4.169 4.320 0.002 0.000 0.216 210 A C 2.349 179.917 177.584 -0.027 0.000 1.186 210 A CA 1.814 53.910 52.037 0.099 0.000 0.620 210 A CB -0.846 18.291 19.000 0.227 0.000 0.822 210 A HN 0.176 nan 8.150 nan 0.000 0.443 211 V N 0.351 120.236 119.914 -0.049 0.000 2.287 211 V HA -0.279 3.842 4.120 0.002 0.000 0.248 211 V C 2.575 178.376 176.094 -0.488 0.000 1.053 211 V CA 2.058 64.191 62.300 -0.279 0.000 1.027 211 V CB -0.815 30.901 31.823 -0.177 0.000 0.646 211 V HN 0.576 nan 8.190 nan 0.000 0.447 212 L N -0.021 121.051 121.223 -0.251 0.000 2.083 212 L HA -0.141 4.200 4.340 0.002 0.000 0.209 212 L C 2.725 179.531 176.870 -0.108 0.000 1.083 212 L CA 1.444 56.162 54.840 -0.203 0.000 0.752 212 L CB -0.877 41.191 42.059 0.015 0.000 0.899 212 L HN 0.375 nan 8.230 nan 0.000 0.433 213 A N -0.166 122.608 122.820 -0.076 0.000 1.902 213 A HA -0.133 4.189 4.320 0.002 0.000 0.217 213 A C 2.373 179.950 177.584 -0.013 0.000 1.181 213 A CA 1.625 53.643 52.037 -0.031 0.000 0.623 213 A CB -0.743 18.217 19.000 -0.066 0.000 0.818 213 A HN 0.171 nan 8.150 nan 0.000 0.443 214 V N -0.827 119.040 119.914 -0.079 0.000 2.261 214 V HA -0.226 3.895 4.120 0.002 0.000 0.246 214 V C 2.354 178.505 176.094 0.095 0.000 1.047 214 V CA 2.019 64.301 62.300 -0.031 0.000 1.015 214 V CB -0.960 30.791 31.823 -0.120 0.000 0.642 214 V HN 0.534 nan 8.190 nan 0.000 0.446 215 F N 1.236 121.132 119.950 -0.090 0.000 2.091 215 F HA -0.202 4.326 4.527 0.002 0.000 0.299 215 F C 2.251 178.111 175.800 0.101 0.000 1.103 215 F CA 1.722 59.651 58.000 -0.118 0.000 1.228 215 F CB -1.562 37.050 39.000 -0.648 0.000 0.984 215 F HN 0.290 nan 8.300 nan 0.000 0.477 216 N N -0.322 118.559 118.700 0.302 0.000 2.223 216 N HA -0.181 4.560 4.740 0.002 0.000 0.185 216 N C 1.946 177.602 175.510 0.242 0.000 1.016 216 N CA 1.264 54.498 53.050 0.307 0.000 0.863 216 N CB -0.239 38.383 38.487 0.224 0.000 0.983 216 N HN 0.272 nan 8.380 nan 0.000 0.429 217 S N 0.286 116.111 115.700 0.209 0.000 2.419 217 S HA -0.205 4.266 4.470 0.002 0.000 0.235 217 S C 1.601 176.340 174.600 0.231 0.000 1.019 217 S CA 0.370 58.675 58.200 0.174 0.000 0.982 217 S CB -0.717 62.567 63.200 0.140 0.000 0.789 217 S HN 0.532 nan 8.310 nan 0.000 0.490 218 W N 2.127 123.490 121.300 0.106 0.000 2.374 218 W HA -0.040 4.620 4.660 0.001 0.000 0.288 218 W C 0.683 177.252 176.519 0.084 0.000 1.218 218 W CA 1.197 58.601 57.345 0.097 0.000 1.245 218 W CB 0.046 29.578 29.460 0.120 0.000 1.126 218 W HN 0.342 nan 8.180 nan 0.000 0.545 219 E N 1.010 121.288 120.200 0.131 0.000 2.368 219 E HA -0.002 4.349 4.350 0.002 0.000 0.188 219 E C 0.702 177.295 176.600 -0.012 0.000 1.061 219 E CA 0.178 56.583 56.400 0.009 0.000 0.933 219 E CB -0.078 29.685 29.700 0.105 0.000 1.091 219 E HN 0.082 nan 8.360 nan 0.000 0.458 220 S N 0.199 115.886 115.700 -0.022 0.000 2.576 220 S HA 0.179 4.650 4.470 0.002 0.000 0.276 220 S C -1.758 172.814 174.600 -0.046 0.000 1.339 220 S CA -1.104 57.086 58.200 -0.017 0.000 1.039 220 S CB 1.716 64.912 63.200 -0.006 0.000 0.902 220 S HN -0.226 nan 8.310 nan 0.000 0.516 221 P HA -0.199 nan 4.420 nan 0.000 0.216 221 P C 1.665 178.945 177.300 -0.033 0.000 1.167 221 P CA 1.457 64.540 63.100 -0.028 0.000 0.914 221 P CB 0.006 31.696 31.700 -0.016 0.000 0.793 222 R N -0.735 119.749 120.500 -0.028 0.000 2.120 222 R HA -0.114 4.227 4.340 0.002 0.000 0.234 222 R C 2.093 178.374 176.300 -0.031 0.000 1.123 222 R CA 1.563 57.652 56.100 -0.019 0.000 0.975 222 R CB -0.739 29.549 30.300 -0.021 0.000 0.866 222 R HN 0.107 nan 8.270 nan 0.000 0.446 223 A N 0.834 123.601 122.820 -0.087 0.000 1.930 223 A HA -0.129 4.192 4.320 0.002 0.000 0.217 223 A C 1.868 179.344 177.584 -0.180 0.000 1.175 223 A CA 1.257 53.190 52.037 -0.174 0.000 0.627 223 A CB -0.167 18.667 19.000 -0.277 0.000 0.815 223 A HN 0.274 nan 8.150 nan 0.000 0.443 224 K N -0.056 120.253 120.400 -0.152 0.000 2.062 224 K HA -0.080 4.241 4.320 0.002 0.000 0.205 224 K C 2.055 178.619 176.600 -0.059 0.000 1.051 224 K CA 1.405 57.615 56.287 -0.128 0.000 0.941 224 K CB -0.167 32.275 32.500 -0.097 0.000 0.719 224 K HN 0.385 nan 8.250 nan 0.000 0.440 225 K N 0.319 120.704 120.400 -0.026 0.000 2.020 225 K HA -0.230 4.091 4.320 0.002 0.000 0.212 225 K C 2.154 178.763 176.600 0.015 0.000 1.050 225 K CA 1.863 58.147 56.287 -0.005 0.000 0.929 225 K CB -0.433 32.074 32.500 0.010 0.000 0.714 225 K HN 0.132 nan 8.250 nan 0.000 0.443 226 Y N 1.875 122.127 120.300 -0.079 0.000 2.193 226 Y HA -0.251 4.300 4.550 0.002 0.000 0.285 226 Y C 1.800 177.659 175.900 -0.068 0.000 1.166 226 Y CA 1.610 59.670 58.100 -0.067 0.000 1.181 226 Y CB 0.069 38.486 38.460 -0.071 0.000 0.976 226 Y HN -0.030 nan 8.280 nan 0.000 0.520 227 R N -1.160 119.342 120.500 0.003 0.000 2.323 227 R HA -0.002 4.339 4.340 0.002 0.000 0.198 227 R C 1.922 178.169 176.300 -0.089 0.000 0.988 227 R CA 0.919 56.981 56.100 -0.062 0.000 1.041 227 R CB 0.003 30.271 30.300 -0.053 0.000 0.926 227 R HN 0.198 nan 8.270 nan 0.000 0.476 228 S N -0.341 115.305 115.700 -0.091 0.000 2.649 228 S HA 0.266 4.737 4.470 0.002 0.000 0.246 228 S C 1.016 175.564 174.600 -0.086 0.000 1.057 228 S CA -0.394 57.761 58.200 -0.074 0.000 1.051 228 S CB 0.673 63.842 63.200 -0.051 0.000 1.018 228 S HN 0.139 nan 8.310 nan 0.000 0.569 229 I N 1.640 122.141 120.570 -0.115 0.000 3.936 229 I HA 0.402 4.573 4.170 0.002 0.000 0.330 229 I C -0.349 175.656 176.117 -0.187 0.000 1.509 229 I CA 0.110 61.343 61.300 -0.112 0.000 1.126 229 I CB 0.123 38.082 38.000 -0.068 0.000 1.115 229 I HN 0.184 nan 8.210 nan 0.000 0.424 230 N N 1.297 119.841 118.700 -0.261 0.000 2.657 230 N HA 0.051 4.792 4.740 0.002 0.000 0.234 230 N C -0.022 175.326 175.510 -0.271 0.000 1.433 230 N CA -0.170 52.666 53.050 -0.357 0.000 1.078 230 N CB 0.727 38.742 38.487 -0.787 0.000 1.508 230 N HN 0.243 nan 8.380 nan 0.000 0.547 231 Q N 1.146 120.852 119.800 -0.157 0.000 3.485 231 Q HA -0.110 4.231 4.340 0.002 0.000 0.311 231 Q C -0.444 175.510 176.000 -0.077 0.000 1.507 231 Q CA 1.135 56.881 55.803 -0.096 0.000 0.824 231 Q CB -0.979 27.719 28.738 -0.066 0.000 1.130 231 Q HN 0.555 nan 8.270 nan 0.000 0.512 232 I N 0.481 121.024 120.570 -0.045 0.000 3.004 232 I HA 0.954 5.125 4.170 0.002 0.000 0.305 232 I C 0.404 176.542 176.117 0.035 0.000 1.312 232 I CA -0.220 61.084 61.300 0.006 0.000 0.992 232 I CB 2.613 40.633 38.000 0.034 0.000 1.282 232 I HN 1.023 nan 8.210 nan 0.000 0.449 233 T N 0.145 114.739 114.554 0.066 0.000 2.677 233 T HA 0.604 4.955 4.350 0.002 0.000 0.305 233 T C 0.469 175.227 174.700 0.097 0.000 1.569 233 T CA -0.003 62.145 62.100 0.080 0.000 0.984 233 T CB 1.088 69.985 68.868 0.049 0.000 1.629 233 T HN 1.380 nan 8.240 nan 0.000 0.494 234 G N -0.240 108.618 108.800 0.096 0.000 3.444 234 G HA2 -0.268 3.693 3.960 0.002 0.000 0.222 234 G HA3 -0.268 3.693 3.960 0.002 0.000 0.222 234 G C 1.649 176.611 174.900 0.104 0.000 1.358 234 G CA 1.009 46.159 45.100 0.083 0.000 0.880 234 G HN 1.613 nan 8.290 nan 0.000 0.555 235 L N 0.557 121.866 121.223 0.144 0.000 2.324 235 L HA -0.424 3.917 4.340 0.002 0.000 0.237 235 L C 2.398 179.300 176.870 0.055 0.000 1.137 235 L CA 4.200 59.135 54.840 0.158 0.000 0.855 235 L CB -0.540 41.745 42.059 0.376 0.000 0.961 235 L HN 1.247 nan 8.230 nan 0.000 0.446 236 R N -0.889 119.669 120.500 0.098 0.000 3.584 236 R HA -0.104 4.237 4.340 0.002 0.000 0.488 236 R C 0.167 176.303 176.300 -0.275 0.000 0.869 236 R CA 0.782 56.870 56.100 -0.021 0.000 1.325 236 R CB -2.187 28.086 30.300 -0.045 0.000 2.015 236 R HN 1.038 nan 8.270 nan 0.000 0.489 237 G N -0.861 107.472 108.800 -0.779 0.000 2.347 237 G HA2 0.165 4.126 3.960 0.002 0.000 0.341 237 G HA3 0.165 4.126 3.960 0.002 0.000 0.341 237 G C -0.873 173.074 174.900 -1.588 0.000 1.287 237 G CA -0.008 44.076 45.100 -1.693 0.000 0.984 237 G HN 0.564 nan 8.290 nan 0.000 0.526 238 T N -0.997 112.957 114.554 -1.001 0.000 2.940 238 T HA 0.879 5.230 4.350 0.002 0.000 0.288 238 T C 0.549 175.216 174.700 -0.056 0.000 1.033 238 T CA 0.994 62.867 62.100 -0.379 0.000 1.033 238 T CB 1.213 70.082 68.868 0.002 0.000 1.079 238 T HN 2.079 nan 8.240 nan 0.000 0.496 239 A N 1.786 124.613 122.820 0.012 0.000 2.261 239 A HA 0.829 5.150 4.320 0.002 0.000 0.323 239 A C -0.530 177.111 177.584 0.096 0.000 1.107 239 A CA -0.714 51.383 52.037 0.101 0.000 0.883 239 A CB 1.255 20.296 19.000 0.068 0.000 1.251 239 A HN 1.006 nan 8.150 nan 0.000 0.502 240 V N 0.826 120.798 119.914 0.097 0.000 2.531 240 V HA 0.530 4.651 4.120 0.002 0.000 0.301 240 V C -1.408 174.718 176.094 0.054 0.000 1.034 240 V CA -0.740 61.575 62.300 0.026 0.000 0.865 240 V CB 1.467 33.237 31.823 -0.089 0.000 0.995 240 V HN 0.893 nan 8.190 nan 0.000 0.424 241 N N 4.899 123.612 118.700 0.022 0.000 2.469 241 N HA 0.600 5.341 4.740 0.002 0.000 0.253 241 N C -1.027 174.433 175.510 -0.083 0.000 0.970 241 N CA -0.372 52.695 53.050 0.028 0.000 0.940 241 N CB 2.032 40.559 38.487 0.067 0.000 1.128 241 N HN 0.507 nan 8.380 nan 0.000 0.503 242 V N 2.089 121.816 119.914 -0.313 0.000 2.370 242 V HA 0.440 4.561 4.120 0.002 0.000 0.283 242 V C -0.104 175.746 176.094 -0.406 0.000 1.023 242 V CA -0.575 61.438 62.300 -0.478 0.000 0.857 242 V CB 1.150 32.368 31.823 -1.009 0.000 0.985 242 V HN 0.645 nan 8.190 nan 0.000 0.443 243 Q N 3.128 122.811 119.800 -0.196 0.000 2.389 243 Q HA 0.480 4.821 4.340 0.002 0.000 0.277 243 Q C -0.644 175.277 176.000 -0.131 0.000 1.082 243 Q CA -0.644 55.092 55.803 -0.111 0.000 0.810 243 Q CB 2.252 31.028 28.738 0.063 0.000 1.374 243 Q HN 0.887 nan 8.270 nan 0.000 0.422 244 C N 4.852 124.069 119.300 -0.139 0.000 2.653 244 C HA 0.360 4.821 4.460 0.002 0.000 0.421 244 C C 0.349 175.199 174.990 -0.234 0.000 1.334 244 C CA -0.484 58.431 59.018 -0.172 0.000 1.885 244 C CB -0.476 27.153 27.740 -0.185 0.000 2.645 244 C HN 0.818 nan 8.230 nan 0.000 0.601 245 M N 5.036 124.495 119.600 -0.235 0.000 2.241 245 M HA 0.484 4.965 4.480 0.002 0.000 0.335 245 M C -0.055 175.935 176.300 -0.516 0.000 1.122 245 M CA 0.005 55.086 55.300 -0.365 0.000 1.164 245 M CB 1.155 33.566 32.600 -0.315 0.000 1.459 245 M HN 0.598 nan 8.290 nan 0.000 0.461 246 V N 2.208 121.669 119.914 -0.756 0.000 2.971 246 V HA 0.580 4.701 4.120 0.002 0.000 0.309 246 V C -1.160 174.446 176.094 -0.815 0.000 1.130 246 V CA -0.716 61.193 62.300 -0.651 0.000 0.964 246 V CB 2.536 33.983 31.823 -0.626 0.000 1.029 246 V HN 0.713 nan 8.190 nan 0.000 0.427 247 F N 0.536 120.462 119.950 -0.039 0.000 2.593 247 F HA 0.746 5.274 4.527 0.002 0.000 0.320 247 F C 1.009 176.806 175.800 -0.005 0.000 1.060 247 F CA -0.575 57.418 58.000 -0.012 0.000 0.940 247 F CB 2.342 41.345 39.000 0.005 0.000 1.268 247 F HN 0.562 nan 8.300 nan 0.000 0.475 248 G N -0.139 108.732 108.800 0.117 0.000 3.596 248 G HA2 0.041 4.002 3.960 0.002 0.000 0.274 248 G HA3 0.041 4.002 3.960 0.002 0.000 0.274 248 G C -0.004 174.873 174.900 -0.037 0.000 1.007 248 G CA -0.255 44.869 45.100 0.039 0.000 0.825 248 G HN 0.530 nan 8.290 nan 0.000 0.508 249 N N -0.347 118.315 118.700 -0.062 0.000 2.275 249 N HA 0.164 4.905 4.740 0.002 0.000 0.236 249 N C 0.761 176.214 175.510 -0.094 0.000 1.154 249 N CA -0.501 52.456 53.050 -0.155 0.000 0.866 249 N CB 0.164 38.426 38.487 -0.375 0.000 1.093 249 N HN 0.143 nan 8.380 nan 0.000 0.515 250 M N 0.829 120.418 119.600 -0.017 0.000 3.242 250 M HA 0.363 4.844 4.480 0.002 0.000 0.250 250 M C 0.251 176.556 176.300 0.009 0.000 1.239 250 M CA -0.152 55.146 55.300 -0.002 0.000 1.205 250 M CB -0.041 32.581 32.600 0.038 0.000 1.189 250 M HN 0.404 nan 8.290 nan 0.000 0.531 251 G N 0.713 109.508 108.800 -0.007 0.000 2.525 251 G HA2 -0.192 3.769 3.960 0.002 0.000 0.685 251 G HA3 -0.192 3.769 3.960 0.002 0.000 0.685 251 G C -0.537 174.373 174.900 0.016 0.000 1.290 251 G CA -0.891 44.212 45.100 0.005 0.000 0.915 251 G HN 0.644 nan 8.290 nan 0.000 0.548 252 N N -0.055 118.659 118.700 0.023 0.000 2.441 252 N HA 0.213 4.954 4.740 0.002 0.000 0.225 252 N C 0.784 176.333 175.510 0.064 0.000 1.208 252 N CA 0.583 53.656 53.050 0.038 0.000 0.847 252 N CB 0.137 38.642 38.487 0.029 0.000 1.121 252 N HN 0.443 nan 8.380 nan 0.000 0.479 253 T N -1.535 113.063 114.554 0.073 0.000 3.058 253 T HA 0.168 4.519 4.350 0.002 0.000 0.278 253 T C 0.161 174.941 174.700 0.133 0.000 0.974 253 T CA -0.058 62.097 62.100 0.092 0.000 0.893 253 T CB 0.701 69.610 68.868 0.068 0.000 1.138 253 T HN -0.040 nan 8.240 nan 0.000 0.529 254 S N 0.175 115.954 115.700 0.133 0.000 2.671 254 S HA 0.920 5.391 4.470 0.002 0.000 0.299 254 S C 0.002 174.690 174.600 0.147 0.000 1.116 254 S CA -0.678 57.618 58.200 0.161 0.000 0.912 254 S CB 2.144 65.410 63.200 0.110 0.000 1.130 254 S HN 0.556 nan 8.310 nan 0.000 0.501 255 G N 0.414 109.287 108.800 0.121 0.000 2.325 255 G HA2 0.476 4.437 3.960 0.002 0.000 0.297 255 G HA3 0.476 4.437 3.960 0.002 0.000 0.297 255 G C -1.190 173.570 174.900 -0.233 0.000 1.448 255 G CA -0.241 44.730 45.100 -0.215 0.000 0.838 255 G HN 0.912 nan 8.290 nan 0.000 0.579 256 T N -2.129 112.074 114.554 -0.585 0.000 2.907 256 T HA 0.941 5.292 4.350 0.002 0.000 0.292 256 T C 0.216 174.532 174.700 -0.641 0.000 1.043 256 T CA 0.029 61.873 62.100 -0.426 0.000 1.003 256 T CB 2.192 70.886 68.868 -0.289 0.000 1.084 256 T HN 2.146 nan 8.240 nan 0.000 0.483 257 G N -0.386 107.915 108.800 -0.831 0.000 2.649 257 G HA2 0.670 4.631 3.960 0.002 0.000 0.290 257 G HA3 0.670 4.631 3.960 0.002 0.000 0.290 257 G C -1.881 172.560 174.900 -0.764 0.000 1.426 257 G CA -0.564 44.089 45.100 -0.746 0.000 0.794 257 G HN 1.165 nan 8.290 nan 0.000 0.483 258 V N 0.087 119.924 119.914 -0.129 0.000 2.971 258 V HA 0.892 5.013 4.120 0.002 0.000 0.309 258 V C -1.402 174.860 176.094 0.279 0.000 1.130 258 V CA -0.415 61.946 62.300 0.102 0.000 0.964 258 V CB 1.830 33.665 31.823 0.021 0.000 1.029 258 V HN 1.684 nan 8.190 nan 0.000 0.427 259 L N 2.981 124.348 121.223 0.239 0.000 2.940 259 L HA 0.758 5.099 4.340 0.002 0.000 0.270 259 L C -1.950 174.964 176.870 0.073 0.000 1.030 259 L CA -0.597 54.399 54.840 0.261 0.000 0.928 259 L CB 1.545 43.784 42.059 0.299 0.000 1.506 259 L HN 0.448 nan 8.230 nan 0.000 0.405 260 F N -0.145 119.935 119.950 0.216 0.000 2.469 260 F HA 0.576 5.104 4.527 0.002 0.000 0.332 260 F C 1.612 177.487 175.800 0.125 0.000 1.103 260 F CA 0.169 58.263 58.000 0.156 0.000 0.979 260 F CB 2.284 41.376 39.000 0.153 0.000 1.137 260 F HN 0.806 nan 8.300 nan 0.000 0.463 261 T N -0.522 114.160 114.554 0.212 0.000 3.051 261 T HA 0.079 4.430 4.350 0.002 0.000 0.269 261 T C 0.624 175.408 174.700 0.140 0.000 1.127 261 T CA 0.750 62.928 62.100 0.129 0.000 1.107 261 T CB -0.229 68.683 68.868 0.074 0.000 0.898 261 T HN 0.515 nan 8.240 nan 0.000 0.517 262 R N 0.388 120.995 120.500 0.180 0.000 2.680 262 R HA 0.342 4.683 4.340 0.002 0.000 0.269 262 R C -1.233 175.087 176.300 0.034 0.000 1.026 262 R CA -0.982 55.178 56.100 0.101 0.000 0.889 262 R CB 0.719 31.050 30.300 0.052 0.000 1.241 262 R HN 0.007 nan 8.270 nan 0.000 0.463 263 N N 3.990 122.646 118.700 -0.073 0.000 2.417 263 N HA -0.016 4.725 4.740 0.002 0.000 0.272 263 N C -1.524 173.724 175.510 -0.437 0.000 1.304 263 N CA -0.846 51.982 53.050 -0.369 0.000 0.906 263 N CB 0.854 39.181 38.487 -0.267 0.000 1.135 263 N HN 0.338 nan 8.380 nan 0.000 0.483 264 P HA -0.062 nan 4.420 nan 0.000 0.230 264 P C -0.063 176.977 177.300 -0.434 0.000 1.158 264 P CA 1.179 63.918 63.100 -0.601 0.000 0.769 264 P CB 0.464 31.518 31.700 -1.078 0.000 0.807 265 N N -0.727 117.704 118.700 -0.447 0.000 2.482 265 N HA -0.030 4.711 4.740 0.002 0.000 0.179 265 N C 1.632 177.026 175.510 -0.192 0.000 1.039 265 N CA 1.298 54.183 53.050 -0.274 0.000 0.884 265 N CB -0.156 38.186 38.487 -0.242 0.000 1.113 265 N HN 0.170 nan 8.380 nan 0.000 0.440 266 T N -4.257 110.179 114.554 -0.197 0.000 2.969 266 T HA 0.379 4.730 4.350 0.002 0.000 0.250 266 T C 1.531 176.162 174.700 -0.116 0.000 1.021 266 T CA 0.522 62.547 62.100 -0.126 0.000 1.003 266 T CB 0.709 69.524 68.868 -0.089 0.000 1.040 266 T HN 0.219 nan 8.240 nan 0.000 0.492 267 G N 1.687 110.404 108.800 -0.139 0.000 2.195 267 G HA2 -0.270 3.691 3.960 0.002 0.000 0.246 267 G HA3 -0.270 3.691 3.960 0.002 0.000 0.246 267 G C -0.100 174.767 174.900 -0.056 0.000 0.984 267 G CA 0.228 45.268 45.100 -0.100 0.000 0.633 267 G HN 0.947 nan 8.290 nan 0.000 0.525 268 E N 1.143 121.313 120.200 -0.050 0.000 2.529 268 E HA 0.115 4.466 4.350 0.002 0.000 0.259 268 E C 0.650 177.256 176.600 0.010 0.000 0.966 268 E CA 0.078 56.471 56.400 -0.011 0.000 0.937 268 E CB 0.223 29.924 29.700 0.002 0.000 0.923 268 E HN 0.318 nan 8.360 nan 0.000 0.468 269 K N 5.182 125.596 120.400 0.023 0.000 2.121 269 K HA 0.027 4.348 4.320 0.002 0.000 0.235 269 K C -0.757 175.874 176.600 0.051 0.000 1.200 269 K CA 0.176 56.485 56.287 0.036 0.000 1.115 269 K CB -0.084 32.436 32.500 0.032 0.000 1.474 269 K HN 0.356 nan 8.250 nan 0.000 0.295 270 K N 3.794 124.238 120.400 0.073 0.000 2.543 270 K HA 0.215 4.536 4.320 0.002 0.000 0.255 270 K C -0.810 175.877 176.600 0.145 0.000 0.934 270 K CA -0.724 55.622 56.287 0.098 0.000 0.810 270 K CB 1.032 33.593 32.500 0.101 0.000 1.315 270 K HN 0.281 nan 8.250 nan 0.000 0.433 271 L N 4.064 125.369 121.223 0.138 0.000 2.540 271 L HA 0.038 4.379 4.340 0.002 0.000 0.276 271 L C -0.462 176.560 176.870 0.252 0.000 1.212 271 L CA 0.294 55.236 54.840 0.170 0.000 0.893 271 L CB -0.150 41.975 42.059 0.110 0.000 1.138 271 L HN 0.574 nan 8.230 nan 0.000 0.491 272 Y N 3.378 123.776 120.300 0.163 0.000 2.332 272 Y HA 0.646 5.197 4.550 0.002 0.000 0.326 272 Y C 0.143 176.197 175.900 0.258 0.000 0.978 272 Y CA -0.164 58.041 58.100 0.176 0.000 1.205 272 Y CB 1.421 39.963 38.460 0.137 0.000 1.131 272 Y HN 0.640 nan 8.280 nan 0.000 0.462 273 G N 4.385 113.172 108.800 -0.022 0.000 2.428 273 G HA2 0.473 4.434 3.960 0.002 0.000 0.305 273 G HA3 0.473 4.434 3.960 0.002 0.000 0.305 273 G C -1.863 173.064 174.900 0.044 0.000 1.260 273 G CA -0.781 44.371 45.100 0.088 0.000 0.853 273 G HN 0.604 nan 8.290 nan 0.000 0.480 274 E N -1.625 118.661 120.200 0.143 0.000 2.392 274 E HA 0.685 5.036 4.350 0.002 0.000 0.279 274 E C -2.095 174.649 176.600 0.240 0.000 0.964 274 E CA -0.928 55.555 56.400 0.138 0.000 0.777 274 E CB 2.866 32.596 29.700 0.050 0.000 1.249 274 E HN 0.464 nan 8.360 nan 0.000 0.449 275 F N 1.612 121.587 119.950 0.041 0.000 2.563 275 F HA 0.607 5.135 4.527 0.002 0.000 0.316 275 F C -1.817 173.975 175.800 -0.014 0.000 1.076 275 F CA -1.351 56.662 58.000 0.022 0.000 0.921 275 F CB 2.005 41.074 39.000 0.115 0.000 1.209 275 F HN 0.462 nan 8.300 nan 0.000 0.462 276 L N 5.969 126.740 121.223 -0.754 0.000 2.342 276 L HA 0.561 4.902 4.340 0.002 0.000 0.276 276 L C -1.264 175.191 176.870 -0.693 0.000 0.997 276 L CA -0.679 53.851 54.840 -0.517 0.000 0.838 276 L CB 1.304 43.147 42.059 -0.360 0.000 1.224 276 L HN 0.389 nan 8.230 nan 0.000 0.416 277 V N 5.478 125.189 119.914 -0.339 0.000 2.637 277 V HA 0.133 4.254 4.120 0.002 0.000 0.296 277 V C 1.078 177.083 176.094 -0.149 0.000 1.046 277 V CA -0.139 62.057 62.300 -0.174 0.000 1.066 277 V CB 0.533 32.364 31.823 0.014 0.000 0.968 277 V HN 0.974 nan 8.190 nan 0.000 0.483 278 N N 2.417 121.052 118.700 -0.109 0.000 2.629 278 N HA -0.146 4.595 4.740 0.002 0.000 0.278 278 N C -0.366 175.057 175.510 -0.144 0.000 1.102 278 N CA 0.421 53.415 53.050 -0.093 0.000 0.759 278 N CB -0.494 37.963 38.487 -0.051 0.000 0.911 278 N HN 1.193 nan 8.380 nan 0.000 0.553 279 A N 1.259 123.964 122.820 -0.192 0.000 2.452 279 A HA 0.476 4.797 4.320 0.002 0.000 0.294 279 A C -1.672 175.772 177.584 -0.234 0.000 1.010 279 A CA -0.776 51.128 52.037 -0.221 0.000 0.613 279 A CB 1.095 19.985 19.000 -0.183 0.000 1.363 279 A HN 0.366 nan 8.150 nan 0.000 0.463 280 Q N -0.928 118.738 119.800 -0.222 0.000 2.445 280 Q HA 0.504 4.845 4.340 0.002 0.000 0.281 280 Q C 1.292 177.224 176.000 -0.113 0.000 1.101 280 Q CA -0.376 55.330 55.803 -0.161 0.000 0.833 280 Q CB 1.911 30.576 28.738 -0.121 0.000 1.416 280 Q HN 1.256 nan 8.270 nan 0.000 0.451 281 G N 0.722 109.470 108.800 -0.087 0.000 2.545 281 G HA2 -0.333 3.628 3.960 0.002 0.000 0.222 281 G HA3 -0.333 3.628 3.960 0.002 0.000 0.222 281 G C 0.915 175.799 174.900 -0.026 0.000 1.126 281 G CA 1.369 46.432 45.100 -0.062 0.000 0.754 281 G HN 0.691 nan 8.290 nan 0.000 0.583 282 E N 0.810 121.015 120.200 0.008 0.000 2.048 282 E HA -0.191 4.160 4.350 0.002 0.000 0.202 282 E C 2.175 178.784 176.600 0.014 0.000 1.021 282 E CA 1.241 57.663 56.400 0.036 0.000 0.825 282 E CB -0.295 29.462 29.700 0.095 0.000 0.756 282 E HN 0.404 nan 8.360 nan 0.000 0.454 283 D N 0.734 121.129 120.400 -0.008 0.000 2.191 283 D HA -0.208 4.433 4.640 0.002 0.000 0.190 283 D C 2.171 178.459 176.300 -0.019 0.000 1.007 283 D CA 1.481 55.469 54.000 -0.020 0.000 0.865 283 D CB -0.601 40.165 40.800 -0.057 0.000 0.929 283 D HN 0.091 nan 8.370 nan 0.000 0.447 284 V N 1.191 121.088 119.914 -0.029 0.000 2.287 284 V HA -0.234 3.887 4.120 0.002 0.000 0.248 284 V C 2.819 178.909 176.094 -0.006 0.000 1.053 284 V CA 1.291 63.577 62.300 -0.023 0.000 1.027 284 V CB -0.660 31.145 31.823 -0.030 0.000 0.646 284 V HN 0.064 nan 8.190 nan 0.000 0.447 285 V N 0.329 120.244 119.914 0.001 0.000 2.453 285 V HA -0.282 3.839 4.120 0.002 0.000 0.252 285 V C 2.558 178.660 176.094 0.014 0.000 1.068 285 V CA 2.141 64.447 62.300 0.011 0.000 1.070 285 V CB -1.102 30.732 31.823 0.018 0.000 0.664 285 V HN 0.584 nan 8.190 nan 0.000 0.461 286 A N -1.132 121.697 122.820 0.014 0.000 2.030 286 A HA 0.397 4.718 4.320 0.002 0.000 0.215 286 A C 2.023 179.613 177.584 0.010 0.000 1.164 286 A CA 1.313 53.359 52.037 0.016 0.000 0.697 286 A CB -0.084 18.930 19.000 0.023 0.000 0.827 286 A HN 1.227 nan 8.150 nan 0.000 0.457 287 G N -1.204 107.598 108.800 0.004 0.000 2.154 287 G HA2 -0.193 3.768 3.960 0.002 0.000 0.186 287 G HA3 -0.193 3.768 3.960 0.002 0.000 0.186 287 G C 0.740 175.639 174.900 -0.002 0.000 1.000 287 G CA 0.276 45.377 45.100 0.001 0.000 0.664 287 G HN 0.337 nan 8.290 nan 0.000 0.513 288 I N -0.732 119.836 120.570 -0.004 0.000 2.353 288 I HA 0.171 4.342 4.170 0.002 0.000 0.248 288 I C 1.426 177.531 176.117 -0.020 0.000 1.119 288 I CA 1.064 62.359 61.300 -0.008 0.000 1.417 288 I CB 0.056 38.053 38.000 -0.005 0.000 1.078 288 I HN 0.177 nan 8.210 nan 0.000 0.421 289 R N -0.561 119.922 120.500 -0.028 0.000 2.740 289 R HA 0.421 4.762 4.340 0.002 0.000 0.273 289 R C -1.408 174.870 176.300 -0.037 0.000 0.998 289 R CA -0.348 55.728 56.100 -0.040 0.000 0.900 289 R CB 1.904 32.166 30.300 -0.064 0.000 1.223 289 R HN -0.251 nan 8.270 nan 0.000 0.466 290 T N 4.894 119.427 114.554 -0.036 0.000 2.815 290 T HA 0.448 4.799 4.350 0.002 0.000 0.289 290 T C -2.523 172.156 174.700 -0.036 0.000 1.000 290 T CA -1.159 60.923 62.100 -0.030 0.000 0.958 290 T CB 1.514 70.371 68.868 -0.018 0.000 0.944 290 T HN 0.462 nan 8.240 nan 0.000 0.442 291 P HA 0.251 nan 4.420 nan 0.000 0.272 291 P C -0.195 177.102 177.300 -0.005 0.000 1.223 291 P CA -0.333 62.744 63.100 -0.038 0.000 0.784 291 P CB 1.347 33.021 31.700 -0.042 0.000 0.923 292 E N 0.857 121.071 120.200 0.024 0.000 3.029 292 E HA 0.211 4.562 4.350 0.002 0.000 0.249 292 E C -0.139 176.500 176.600 0.065 0.000 1.089 292 E CA -0.547 55.880 56.400 0.046 0.000 1.089 292 E CB 0.360 30.103 29.700 0.071 0.000 1.428 292 E HN 0.588 nan 8.360 nan 0.000 0.555 293 D N -0.349 120.087 120.400 0.061 0.000 2.326 293 D HA 0.109 4.750 4.640 0.002 0.000 0.251 293 D C 1.266 177.625 176.300 0.098 0.000 1.023 293 D CA -0.557 53.475 54.000 0.053 0.000 0.966 293 D CB 1.113 41.919 40.800 0.010 0.000 1.156 293 D HN 0.300 nan 8.370 nan 0.000 0.494 294 L N 0.071 121.358 121.223 0.106 0.000 2.137 294 L HA -0.224 4.117 4.340 0.002 0.000 0.213 294 L C 1.683 178.544 176.870 -0.015 0.000 1.085 294 L CA 1.448 56.367 54.840 0.130 0.000 0.760 294 L CB -0.443 41.728 42.059 0.187 0.000 0.893 294 L HN 0.425 nan 8.230 nan 0.000 0.434 295 D N 0.307 120.672 120.400 -0.059 0.000 2.123 295 D HA -0.198 4.443 4.640 0.002 0.000 0.196 295 D C 2.237 178.447 176.300 -0.150 0.000 0.992 295 D CA 1.544 55.446 54.000 -0.163 0.000 0.833 295 D CB -0.018 40.723 40.800 -0.099 0.000 0.954 295 D HN 0.375 nan 8.370 nan 0.000 0.455 296 A N 0.993 123.790 122.820 -0.037 0.000 2.032 296 A HA -0.218 4.103 4.320 0.002 0.000 0.221 296 A C 2.151 179.720 177.584 -0.024 0.000 1.165 296 A CA 1.612 53.657 52.037 0.013 0.000 0.645 296 A CB -0.600 18.469 19.000 0.115 0.000 0.807 296 A HN 0.253 nan 8.150 nan 0.000 0.453 297 M N -1.129 118.391 119.600 -0.134 0.000 2.193 297 M HA -0.060 4.421 4.480 0.002 0.000 0.265 297 M C 2.167 178.289 176.300 -0.296 0.000 1.071 297 M CA 2.045 57.145 55.300 -0.334 0.000 1.140 297 M CB -0.151 32.093 32.600 -0.594 0.000 1.369 297 M HN 0.408 nan 8.290 nan 0.000 0.423 298 K N 0.104 120.187 120.400 -0.529 0.000 2.147 298 K HA -0.177 4.144 4.320 0.002 0.000 0.205 298 K C 1.396 177.818 176.600 -0.297 0.000 1.049 298 K CA 1.587 57.462 56.287 -0.688 0.000 0.936 298 K CB 0.040 31.857 32.500 -1.139 0.000 0.722 298 K HN 0.365 nan 8.250 nan 0.000 0.446 299 N N 0.578 119.149 118.700 -0.214 0.000 2.083 299 N HA -0.161 4.580 4.740 0.002 0.000 0.190 299 N C 1.961 177.432 175.510 -0.065 0.000 1.047 299 N CA 1.756 54.738 53.050 -0.113 0.000 0.845 299 N CB -0.898 37.543 38.487 -0.077 0.000 1.025 299 N HN 0.170 nan 8.380 nan 0.000 0.428 300 L N -0.554 120.647 121.223 -0.038 0.000 2.291 300 L HA 0.291 4.632 4.340 0.002 0.000 0.214 300 L C 1.176 178.049 176.870 0.006 0.000 1.120 300 L CA 1.343 56.186 54.840 0.004 0.000 0.799 300 L CB -1.001 41.091 42.059 0.055 0.000 0.925 300 L HN 0.162 nan 8.230 nan 0.000 0.446 301 M N 0.130 119.715 119.600 -0.025 0.000 3.269 301 M HA 0.263 4.744 4.480 0.002 0.000 0.340 301 M C -1.804 174.490 176.300 -0.009 0.000 1.662 301 M CA -1.002 54.293 55.300 -0.008 0.000 0.547 301 M CB 1.708 34.312 32.600 0.006 0.000 1.449 301 M HN -0.019 nan 8.290 nan 0.000 0.459 302 P HA -0.240 nan 4.420 nan 0.000 0.216 302 P C 1.405 178.728 177.300 0.038 0.000 1.150 302 P CA 2.173 65.281 63.100 0.014 0.000 0.843 302 P CB 0.155 31.849 31.700 -0.010 0.000 0.787 303 Q N 0.356 120.160 119.800 0.007 0.000 2.084 303 Q HA -0.069 4.272 4.340 0.002 0.000 0.202 303 Q C 2.405 178.387 176.000 -0.030 0.000 0.978 303 Q CA 2.342 58.138 55.803 -0.012 0.000 0.844 303 Q CB -1.715 27.010 28.738 -0.021 0.000 0.898 303 Q HN 0.398 nan 8.270 nan 0.000 0.426 304 A N -1.129 121.678 122.820 -0.022 0.000 1.930 304 A HA 0.035 4.356 4.320 0.002 0.000 0.215 304 A C 2.161 179.701 177.584 -0.073 0.000 1.176 304 A CA 1.458 53.463 52.037 -0.053 0.000 0.632 304 A CB -0.607 18.381 19.000 -0.020 0.000 0.819 304 A HN 0.740 nan 8.150 nan 0.000 0.445 305 Y N 1.413 121.618 120.300 -0.159 0.000 2.128 305 Y HA -0.243 4.308 4.550 0.002 0.000 0.284 305 Y C 1.927 177.735 175.900 -0.154 0.000 1.154 305 Y CA 2.111 60.099 58.100 -0.186 0.000 1.149 305 Y CB -0.162 38.200 38.460 -0.162 0.000 0.976 305 Y HN 0.367 nan 8.280 nan 0.000 0.505 306 D N 0.025 120.395 120.400 -0.051 0.000 2.149 306 D HA -0.211 4.430 4.640 0.002 0.000 0.198 306 D C 1.974 178.166 176.300 -0.180 0.000 0.990 306 D CA 1.615 55.550 54.000 -0.109 0.000 0.839 306 D CB -0.238 40.544 40.800 -0.030 0.000 0.948 306 D HN 0.589 nan 8.370 nan 0.000 0.460 307 E N -0.034 120.064 120.200 -0.170 0.000 2.106 307 E HA -0.139 4.213 4.350 0.002 0.000 0.192 307 E C 2.121 178.581 176.600 -0.233 0.000 0.984 307 E CA 0.142 56.437 56.400 -0.176 0.000 0.806 307 E CB 0.039 29.639 29.700 -0.168 0.000 0.750 307 E HN 0.048 nan 8.360 nan 0.000 0.458 308 L N 0.423 121.448 121.223 -0.330 0.000 2.046 308 L HA -0.156 4.185 4.340 0.002 0.000 0.208 308 L C 2.138 178.764 176.870 -0.408 0.000 1.077 308 L CA 1.412 55.990 54.840 -0.435 0.000 0.747 308 L CB -0.465 41.208 42.059 -0.644 0.000 0.896 308 L HN -0.009 nan 8.230 nan 0.000 0.432 309 V N -0.196 119.445 119.914 -0.455 0.000 2.358 309 V HA -0.256 3.865 4.120 0.002 0.000 0.246 309 V C 2.490 178.467 176.094 -0.195 0.000 1.047 309 V CA 1.976 64.072 62.300 -0.340 0.000 1.035 309 V CB -0.717 30.904 31.823 -0.336 0.000 0.658 309 V HN 0.504 nan 8.190 nan 0.000 0.452 310 E N 0.111 120.210 120.200 -0.168 0.000 2.106 310 E HA -0.179 4.172 4.350 0.002 0.000 0.192 310 E C 2.085 178.631 176.600 -0.089 0.000 0.984 310 E CA 1.070 57.406 56.400 -0.106 0.000 0.806 310 E CB -0.237 29.407 29.700 -0.092 0.000 0.750 310 E HN 0.625 nan 8.360 nan 0.000 0.458 311 N N 0.457 119.088 118.700 -0.115 0.000 2.188 311 N HA -0.121 4.620 4.740 0.002 0.000 0.184 311 N C 1.929 177.404 175.510 -0.059 0.000 1.018 311 N CA 0.941 53.942 53.050 -0.081 0.000 0.858 311 N CB -0.099 38.325 38.487 -0.105 0.000 0.989 311 N HN 0.207 nan 8.380 nan 0.000 0.426 312 C N 1.275 120.516 119.300 -0.097 0.000 2.453 312 C HA 0.002 4.463 4.460 0.002 0.000 0.277 312 C C 2.422 177.401 174.990 -0.018 0.000 1.262 312 C CA 0.245 59.226 59.018 -0.062 0.000 1.718 312 C CB -1.145 26.534 27.740 -0.101 0.000 2.031 312 C HN 0.472 nan 8.230 nan 0.000 0.480 313 N N 1.169 119.850 118.700 -0.032 0.000 2.166 313 N HA -0.033 4.708 4.740 0.002 0.000 0.186 313 N C 1.524 177.046 175.510 0.019 0.000 1.019 313 N CA 1.229 54.275 53.050 -0.006 0.000 0.856 313 N CB -0.432 38.042 38.487 -0.021 0.000 0.993 313 N HN 0.516 nan 8.380 nan 0.000 0.426 314 I N 0.752 121.331 120.570 0.014 0.000 2.315 314 I HA -0.195 3.976 4.170 0.002 0.000 0.248 314 I C 2.103 178.277 176.117 0.094 0.000 1.117 314 I CA 0.632 61.953 61.300 0.034 0.000 1.404 314 I CB -0.136 37.869 38.000 0.009 0.000 1.071 314 I HN 0.051 nan 8.210 nan 0.000 0.419 315 L N 0.389 121.682 121.223 0.118 0.000 1.994 315 L HA -0.223 4.118 4.340 0.002 0.000 0.208 315 L C 2.599 179.624 176.870 0.257 0.000 1.071 315 L CA 1.631 56.618 54.840 0.244 0.000 0.745 315 L CB -0.515 41.635 42.059 0.151 0.000 0.892 315 L HN 0.238 nan 8.230 nan 0.000 0.431 316 E N -0.901 119.383 120.200 0.141 0.000 2.072 316 E HA -0.217 4.134 4.350 0.002 0.000 0.191 316 E C 2.303 178.961 176.600 0.097 0.000 0.985 316 E CA 1.375 57.845 56.400 0.117 0.000 0.801 316 E CB -0.125 29.618 29.700 0.072 0.000 0.750 316 E HN 0.316 nan 8.360 nan 0.000 0.452 317 S N 0.062 115.809 115.700 0.077 0.000 2.382 317 S HA -0.212 4.259 4.470 0.002 0.000 0.228 317 S C 2.022 176.643 174.600 0.035 0.000 1.027 317 S CA 1.277 59.505 58.200 0.047 0.000 0.991 317 S CB -0.163 63.060 63.200 0.038 0.000 0.823 317 S HN 0.395 nan 8.310 nan 0.000 0.469 318 H N -1.198 117.840 119.070 -0.054 0.000 2.399 318 H HA 0.070 4.627 4.556 0.002 0.000 0.300 318 H C 1.174 176.361 175.328 -0.235 0.000 1.048 318 H CA 1.223 57.160 56.048 -0.186 0.000 1.370 318 H CB -0.198 29.374 29.762 -0.317 0.000 1.428 318 H HN 0.570 nan 8.280 nan 0.000 0.534 319 Y N 1.233 121.566 120.300 0.054 0.000 2.511 319 Y HA 0.086 4.637 4.550 0.002 0.000 0.279 319 Y C 0.641 176.528 175.900 -0.021 0.000 1.157 319 Y CA -0.076 58.028 58.100 0.007 0.000 1.300 319 Y CB 0.461 38.972 38.460 0.085 0.000 1.052 319 Y HN -0.041 nan 8.280 nan 0.000 0.529 320 K N 1.407 121.864 120.400 0.094 0.000 3.156 320 K HA -0.249 4.072 4.320 0.002 0.000 0.266 320 K C -0.669 175.983 176.600 0.087 0.000 0.966 320 K CA 1.103 57.424 56.287 0.058 0.000 0.719 320 K CB -1.441 31.064 32.500 0.008 0.000 1.333 320 K HN 0.543 nan 8.250 nan 0.000 0.468 321 E N -0.543 119.724 120.200 0.112 0.000 2.388 321 E HA 0.313 4.664 4.350 0.002 0.000 0.282 321 E C -0.933 175.719 176.600 0.086 0.000 1.026 321 E CA -0.717 55.739 56.400 0.093 0.000 0.820 321 E CB 0.870 30.628 29.700 0.096 0.000 1.226 321 E HN 0.145 nan 8.360 nan 0.000 0.432 322 M N 3.062 122.707 119.600 0.076 0.000 2.245 322 M HA 0.201 4.682 4.480 0.002 0.000 0.344 322 M C -1.039 175.308 176.300 0.080 0.000 1.170 322 M CA 0.366 55.718 55.300 0.086 0.000 1.135 322 M CB 0.467 33.125 32.600 0.096 0.000 1.574 322 M HN 0.511 nan 8.290 nan 0.000 0.452 323 Q N 2.913 122.752 119.800 0.064 0.000 2.377 323 Q HA 0.345 4.686 4.340 0.002 0.000 0.271 323 Q C -1.430 174.524 176.000 -0.078 0.000 1.077 323 Q CA -0.602 55.197 55.803 -0.006 0.000 0.820 323 Q CB 2.046 30.764 28.738 -0.032 0.000 1.347 323 Q HN 0.633 nan 8.270 nan 0.000 0.444 324 D N 2.234 122.507 120.400 -0.212 0.000 2.349 324 D HA 0.508 5.149 4.640 0.002 0.000 0.232 324 D C -0.700 175.430 176.300 -0.283 0.000 1.071 324 D CA -0.455 53.220 54.000 -0.542 0.000 0.832 324 D CB 0.368 40.765 40.800 -0.671 0.000 1.086 324 D HN 0.543 nan 8.370 nan 0.000 0.504 325 I N -0.866 119.589 120.570 -0.193 0.000 3.042 325 I HA 0.663 4.834 4.170 0.002 0.000 0.310 325 I C -0.971 175.195 176.117 0.081 0.000 1.117 325 I CA -0.950 60.334 61.300 -0.026 0.000 1.003 325 I CB 2.474 40.499 38.000 0.041 0.000 1.228 325 I HN 0.138 nan 8.210 nan 0.000 0.443 326 E N 3.324 123.589 120.200 0.110 0.000 2.199 326 E HA 0.567 4.918 4.350 0.002 0.000 0.265 326 E C -1.667 175.059 176.600 0.209 0.000 0.882 326 E CA -0.577 55.879 56.400 0.092 0.000 0.759 326 E CB 2.294 32.000 29.700 0.008 0.000 1.148 326 E HN 0.541 nan 8.360 nan 0.000 0.412 327 F N -0.856 119.140 119.950 0.077 0.000 2.629 327 F HA 0.773 5.301 4.527 0.002 0.000 0.316 327 F C -0.631 175.270 175.800 0.168 0.000 1.081 327 F CA -0.825 57.246 58.000 0.119 0.000 0.954 327 F CB 1.885 40.951 39.000 0.110 0.000 1.337 327 F HN 0.053 nan 8.300 nan 0.000 0.474 328 T N 1.597 116.358 114.554 0.344 0.000 2.916 328 T HA 0.542 4.893 4.350 0.002 0.000 0.298 328 T C -1.430 173.539 174.700 0.447 0.000 1.031 328 T CA -0.617 61.644 62.100 0.269 0.000 0.993 328 T CB 1.987 70.942 68.868 0.146 0.000 1.045 328 T HN 0.591 nan 8.240 nan 0.000 0.454 329 V N 3.863 124.036 119.914 0.432 0.000 2.328 329 V HA 0.414 4.535 4.120 0.002 0.000 0.278 329 V C 0.067 176.366 176.094 0.341 0.000 1.021 329 V CA -0.590 61.947 62.300 0.395 0.000 0.838 329 V CB 1.229 33.301 31.823 0.415 0.000 0.999 329 V HN 0.819 nan 8.190 nan 0.000 0.447 330 Q N 4.123 124.166 119.800 0.404 0.000 2.430 330 Q HA 0.332 4.673 4.340 0.002 0.000 0.245 330 Q C -0.193 175.962 176.000 0.259 0.000 1.021 330 Q CA -0.289 55.711 55.803 0.328 0.000 0.867 330 Q CB 0.360 29.316 28.738 0.362 0.000 1.210 330 Q HN 0.797 nan 8.270 nan 0.000 0.487 331 E N 4.037 124.344 120.200 0.179 0.000 2.291 331 E HA -0.387 3.964 4.350 0.002 0.000 0.181 331 E C -0.312 176.352 176.600 0.108 0.000 1.480 331 E CA 0.355 56.831 56.400 0.126 0.000 0.674 331 E CB -0.961 28.804 29.700 0.109 0.000 1.108 331 E HN 0.938 nan 8.360 nan 0.000 0.357 332 N N -1.541 117.220 118.700 0.103 0.000 2.955 332 N HA -0.219 4.522 4.740 0.002 0.000 0.230 332 N C 0.281 175.804 175.510 0.022 0.000 0.891 332 N CA 1.869 54.955 53.050 0.060 0.000 1.002 332 N CB -0.483 38.024 38.487 0.033 0.000 1.063 332 N HN 0.489 nan 8.380 nan 0.000 0.601 333 R N 1.436 121.962 120.500 0.043 0.000 2.255 333 R HA 0.509 4.850 4.340 0.002 0.000 0.326 333 R C -0.417 175.755 176.300 -0.213 0.000 0.986 333 R CA -0.510 55.524 56.100 -0.110 0.000 0.847 333 R CB 0.606 30.879 30.300 -0.045 0.000 1.111 333 R HN 0.191 nan 8.270 nan 0.000 0.452 334 L N 5.359 126.381 121.223 -0.334 0.000 2.349 334 L HA 0.483 4.824 4.340 0.002 0.000 0.275 334 L C -1.424 175.152 176.870 -0.490 0.000 1.115 334 L CA 0.301 55.004 54.840 -0.229 0.000 0.820 334 L CB 0.459 42.420 42.059 -0.163 0.000 1.135 334 L HN 0.663 nan 8.230 nan 0.000 0.445 335 W N 5.967 127.350 121.300 0.138 0.000 2.781 335 W HA 0.466 5.127 4.660 0.001 0.000 0.333 335 W C -0.668 175.938 176.519 0.146 0.000 1.047 335 W CA -0.817 56.599 57.345 0.118 0.000 1.236 335 W CB 1.517 31.032 29.460 0.092 0.000 1.394 335 W HN 0.173 nan 8.180 nan 0.000 0.466 336 M N 4.759 124.549 119.600 0.318 0.000 2.105 336 M HA 0.252 4.733 4.480 0.002 0.000 0.350 336 M C 0.318 176.746 176.300 0.214 0.000 1.308 336 M CA 0.054 55.491 55.300 0.228 0.000 1.108 336 M CB 0.334 33.014 32.600 0.134 0.000 1.622 336 M HN 0.579 nan 8.290 nan 0.000 0.468 337 L N 1.194 122.526 121.223 0.181 0.000 2.597 337 L HA 0.241 4.582 4.340 0.002 0.000 0.188 337 L C 0.936 177.843 176.870 0.061 0.000 1.333 337 L CA -0.040 54.866 54.840 0.109 0.000 1.543 337 L CB -0.443 41.662 42.059 0.077 0.000 1.504 337 L HN 0.565 nan 8.230 nan 0.000 0.813 338 Q N 0.279 120.102 119.800 0.038 0.000 2.243 338 Q HA 0.354 4.695 4.340 0.002 0.000 0.252 338 Q C -1.680 174.311 176.000 -0.015 0.000 0.909 338 Q CA -0.400 55.404 55.803 0.001 0.000 0.922 338 Q CB 1.592 30.323 28.738 -0.011 0.000 1.215 338 Q HN 0.453 nan 8.270 nan 0.000 0.427 339 C N 4.097 123.365 119.300 -0.053 0.000 2.626 339 C HA 0.803 5.264 4.460 0.002 0.000 0.310 339 C C -0.905 174.004 174.990 -0.134 0.000 1.191 339 C CA -0.771 58.190 59.018 -0.094 0.000 1.517 339 C CB 1.363 29.038 27.740 -0.109 0.000 2.102 339 C HN 1.052 nan 8.230 nan 0.000 0.479 340 R N 0.032 120.449 120.500 -0.138 0.000 2.692 340 R HA 0.551 4.892 4.340 0.002 0.000 0.269 340 R C -1.279 174.964 176.300 -0.095 0.000 1.030 340 R CA -0.427 55.600 56.100 -0.122 0.000 0.882 340 R CB 0.435 30.691 30.300 -0.075 0.000 1.250 340 R HN 0.496 nan 8.270 nan 0.000 0.465 341 T N 1.464 115.981 114.554 -0.061 0.000 2.871 341 T HA 0.149 4.500 4.350 0.002 0.000 0.296 341 T C 0.642 175.371 174.700 0.049 0.000 0.998 341 T CA 0.845 62.945 62.100 -0.001 0.000 1.162 341 T CB 0.464 69.349 68.868 0.027 0.000 0.947 341 T HN 0.620 nan 8.240 nan 0.000 0.536 342 G N 3.344 112.203 108.800 0.099 0.000 2.378 342 G HA2 0.358 4.319 3.960 0.002 0.000 0.255 342 G HA3 0.358 4.319 3.960 0.002 0.000 0.255 342 G C 0.172 175.242 174.900 0.283 0.000 1.270 342 G CA -0.890 44.356 45.100 0.244 0.000 0.876 342 G HN 0.818 nan 8.290 nan 0.000 0.521 343 K N 1.853 122.455 120.400 0.337 0.000 2.219 343 K HA 0.532 4.853 4.320 0.002 0.000 0.258 343 K C 0.170 176.853 176.600 0.140 0.000 1.008 343 K CA -0.369 56.055 56.287 0.229 0.000 0.928 343 K CB 0.854 33.475 32.500 0.202 0.000 0.983 343 K HN 0.675 nan 8.250 nan 0.000 0.484 344 R N -0.544 120.012 120.500 0.093 0.000 2.728 344 R HA 0.182 4.523 4.340 0.002 0.000 0.274 344 R C -1.053 175.239 176.300 -0.013 0.000 1.030 344 R CA -0.687 55.378 56.100 -0.057 0.000 0.876 344 R CB 0.101 30.312 30.300 -0.148 0.000 1.259 344 R HN 0.903 nan 8.270 nan 0.000 0.468 345 T N -2.275 112.225 114.554 -0.091 0.000 2.788 345 T HA 0.303 4.654 4.350 0.002 0.000 0.287 345 T C 1.473 176.110 174.700 -0.106 0.000 1.007 345 T CA 0.100 62.183 62.100 -0.028 0.000 1.005 345 T CB 0.922 69.753 68.868 -0.061 0.000 1.012 345 T HN 0.678 nan 8.240 nan 0.000 0.530 346 G N 0.564 109.368 108.800 0.007 0.000 2.421 346 G HA2 -0.215 3.746 3.960 0.002 0.000 0.216 346 G HA3 -0.215 3.746 3.960 0.002 0.000 0.216 346 G C 1.473 176.282 174.900 -0.152 0.000 1.171 346 G CA 1.031 46.100 45.100 -0.050 0.000 0.775 346 G HN 0.793 nan 8.290 nan 0.000 0.543 347 K N 1.121 121.458 120.400 -0.105 0.000 2.020 347 K HA -0.140 4.181 4.320 0.002 0.000 0.212 347 K C 2.692 179.204 176.600 -0.148 0.000 1.050 347 K CA 2.067 58.288 56.287 -0.110 0.000 0.929 347 K CB -0.901 31.552 32.500 -0.080 0.000 0.714 347 K HN 0.228 nan 8.250 nan 0.000 0.443 348 S N -0.689 114.909 115.700 -0.170 0.000 2.368 348 S HA -0.087 4.384 4.470 0.002 0.000 0.225 348 S C 1.963 176.432 174.600 -0.218 0.000 1.030 348 S CA 1.352 59.442 58.200 -0.184 0.000 0.999 348 S CB -0.585 62.492 63.200 -0.204 0.000 0.844 348 S HN 0.455 nan 8.310 nan 0.000 0.459 349 A N 0.857 123.477 122.820 -0.333 0.000 1.883 349 A HA -0.025 4.296 4.320 0.002 0.000 0.217 349 A C 2.357 179.753 177.584 -0.313 0.000 1.186 349 A CA 1.945 53.739 52.037 -0.405 0.000 0.624 349 A CB -1.102 17.425 19.000 -0.788 0.000 0.822 349 A HN 0.474 nan 8.150 nan 0.000 0.444 350 V N 0.209 119.924 119.914 -0.331 0.000 2.358 350 V HA -0.246 3.875 4.120 0.002 0.000 0.246 350 V C 2.541 178.528 176.094 -0.178 0.000 1.047 350 V CA 2.368 64.447 62.300 -0.368 0.000 1.035 350 V CB -0.673 30.945 31.823 -0.341 0.000 0.658 350 V HN 0.733 nan 8.190 nan 0.000 0.452 351 K N 0.298 120.622 120.400 -0.127 0.000 2.026 351 K HA -0.142 4.179 4.320 0.002 0.000 0.208 351 K C 2.090 178.678 176.600 -0.020 0.000 1.048 351 K CA 1.730 57.982 56.287 -0.059 0.000 0.929 351 K CB -0.274 32.191 32.500 -0.060 0.000 0.713 351 K HN 0.406 nan 8.250 nan 0.000 0.439 352 I N 1.097 121.642 120.570 -0.042 0.000 2.226 352 I HA -0.266 3.905 4.170 0.002 0.000 0.245 352 I C 2.503 178.646 176.117 0.044 0.000 1.100 352 I CA 1.186 62.483 61.300 -0.005 0.000 1.374 352 I CB -0.381 37.603 38.000 -0.027 0.000 1.057 352 I HN 0.317 nan 8.210 nan 0.000 0.413 353 A N 0.368 123.216 122.820 0.047 0.000 1.877 353 A HA -0.139 4.182 4.320 0.002 0.000 0.216 353 A C 2.421 180.182 177.584 0.295 0.000 1.186 353 A CA 1.703 53.837 52.037 0.162 0.000 0.620 353 A CB -0.911 18.193 19.000 0.173 0.000 0.822 353 A HN 0.228 nan 8.150 nan 0.000 0.443 354 V N 0.635 120.718 119.914 0.280 0.000 2.307 354 V HA -0.220 3.901 4.120 0.002 0.000 0.245 354 V C 2.158 178.406 176.094 0.257 0.000 1.045 354 V CA 2.252 64.771 62.300 0.365 0.000 1.024 354 V CB -0.851 31.072 31.823 0.167 0.000 0.651 354 V HN 0.482 nan 8.190 nan 0.000 0.449 355 D N -0.237 120.248 120.400 0.143 0.000 2.144 355 D HA -0.163 4.478 4.640 0.002 0.000 0.199 355 D C 2.168 178.527 176.300 0.098 0.000 0.984 355 D CA 1.371 55.432 54.000 0.102 0.000 0.834 355 D CB -0.253 40.583 40.800 0.061 0.000 0.955 355 D HN 0.343 nan 8.370 nan 0.000 0.465 356 M N -0.003 119.656 119.600 0.098 0.000 2.296 356 M HA -0.100 4.381 4.480 0.002 0.000 0.265 356 M C 2.117 178.450 176.300 0.055 0.000 1.064 356 M CA 0.611 55.952 55.300 0.069 0.000 1.109 356 M CB 0.110 32.747 32.600 0.062 0.000 1.396 356 M HN -0.082 nan 8.290 nan 0.000 0.430 357 V N 0.765 120.732 119.914 0.088 0.000 2.323 357 V HA -0.219 3.902 4.120 0.002 0.000 0.244 357 V C 1.932 178.059 176.094 0.056 0.000 1.041 357 V CA 1.542 63.853 62.300 0.017 0.000 1.025 357 V CB -0.724 31.072 31.823 -0.045 0.000 0.656 357 V HN 0.463 nan 8.190 nan 0.000 0.451 358 N N 0.365 119.138 118.700 0.122 0.000 2.223 358 N HA -0.162 4.579 4.740 0.002 0.000 0.185 358 N C 1.698 177.242 175.510 0.057 0.000 1.016 358 N CA 1.151 54.260 53.050 0.098 0.000 0.863 358 N CB -0.210 38.345 38.487 0.112 0.000 0.983 358 N HN 0.604 nan 8.380 nan 0.000 0.429 359 E N -0.270 119.960 120.200 0.049 0.000 2.482 359 E HA 0.092 4.443 4.350 0.002 0.000 0.196 359 E C 0.793 177.404 176.600 0.018 0.000 1.047 359 E CA 0.255 56.674 56.400 0.032 0.000 0.869 359 E CB -0.029 29.691 29.700 0.033 0.000 0.836 359 E HN 0.374 nan 8.360 nan 0.000 0.520 360 G N 1.071 109.878 108.800 0.011 0.000 2.160 360 G HA2 -0.281 3.680 3.960 0.002 0.000 0.251 360 G HA3 -0.281 3.680 3.960 0.002 0.000 0.251 360 G C 0.644 175.535 174.900 -0.014 0.000 1.008 360 G CA 0.346 45.441 45.100 -0.008 0.000 0.724 360 G HN 0.263 nan 8.290 nan 0.000 0.514 361 L N -0.256 120.963 121.223 -0.007 0.000 2.249 361 L HA 0.542 4.883 4.340 0.002 0.000 0.207 361 L C 1.470 178.325 176.870 -0.025 0.000 1.090 361 L CA 1.942 56.777 54.840 -0.009 0.000 0.802 361 L CB 0.510 42.575 42.059 0.010 0.000 0.947 361 L HN 0.924 nan 8.230 nan 0.000 0.453 362 V N -3.296 116.597 119.914 -0.035 0.000 3.159 362 V HA 0.549 4.670 4.120 0.002 0.000 0.308 362 V C -0.853 175.174 176.094 -0.113 0.000 1.190 362 V CA -0.902 61.363 62.300 -0.058 0.000 1.037 362 V CB 1.726 33.529 31.823 -0.033 0.000 1.060 362 V HN 0.307 nan 8.190 nan 0.000 0.437 363 E N 1.723 121.837 120.200 -0.142 0.000 2.232 363 E HA 0.557 4.908 4.350 0.002 0.000 0.265 363 E C -2.323 174.080 176.600 -0.328 0.000 1.001 363 E CA -1.900 54.362 56.400 -0.231 0.000 0.870 363 E CB 1.664 31.257 29.700 -0.179 0.000 1.175 363 E HN 0.392 nan 8.360 nan 0.000 0.407 364 P HA -0.265 nan 4.420 nan 0.000 0.217 364 P C 1.320 178.447 177.300 -0.288 0.000 1.158 364 P CA 1.813 64.469 63.100 -0.741 0.000 0.887 364 P CB 0.024 31.103 31.700 -1.035 0.000 0.792 365 R N -0.646 119.733 120.500 -0.202 0.000 2.127 365 R HA -0.112 4.229 4.340 0.002 0.000 0.238 365 R C 1.961 178.237 176.300 -0.041 0.000 1.134 365 R CA 1.990 58.035 56.100 -0.092 0.000 0.975 365 R CB -0.427 29.825 30.300 -0.080 0.000 0.865 365 R HN 0.138 nan 8.270 nan 0.000 0.447 366 S N -0.305 115.364 115.700 -0.051 0.000 2.421 366 S HA 0.092 4.563 4.470 0.002 0.000 0.224 366 S C 1.815 176.448 174.600 0.056 0.000 1.035 366 S CA 0.538 58.737 58.200 -0.001 0.000 0.953 366 S CB 0.329 63.517 63.200 -0.020 0.000 0.810 366 S HN 0.522 nan 8.310 nan 0.000 0.497 367 A N 2.132 124.982 122.820 0.050 0.000 1.972 367 A HA -0.067 4.254 4.320 0.002 0.000 0.219 367 A C 1.872 179.689 177.584 0.390 0.000 1.169 367 A CA 1.067 53.227 52.037 0.204 0.000 0.635 367 A CB -0.638 18.497 19.000 0.226 0.000 0.810 367 A HN 0.382 nan 8.150 nan 0.000 0.446 368 I N 0.166 120.902 120.570 0.277 0.000 2.264 368 I HA -0.226 3.945 4.170 0.002 0.000 0.248 368 I C 1.953 178.260 176.117 0.316 0.000 1.111 368 I CA 1.567 63.037 61.300 0.283 0.000 1.382 368 I CB -1.084 36.963 38.000 0.078 0.000 1.060 368 I HN 0.368 nan 8.210 nan 0.000 0.418 369 K N -0.358 120.165 120.400 0.205 0.000 2.486 369 K HA 0.056 4.377 4.320 0.002 0.000 0.194 369 K C 1.845 178.548 176.600 0.173 0.000 1.033 369 K CA 0.414 56.800 56.287 0.165 0.000 1.004 369 K CB 0.046 32.611 32.500 0.107 0.000 0.798 369 K HN 0.315 nan 8.250 nan 0.000 0.495 370 M N 0.532 120.251 119.600 0.199 0.000 2.541 370 M HA 0.010 4.491 4.480 0.002 0.000 0.252 370 M C -0.113 176.265 176.300 0.130 0.000 1.125 370 M CA 0.559 55.948 55.300 0.148 0.000 1.091 370 M CB 0.770 33.442 32.600 0.120 0.000 1.420 370 M HN -0.226 nan 8.290 nan 0.000 0.486 371 V N 1.440 121.455 119.914 0.168 0.000 2.350 371 V HA 0.206 4.327 4.120 0.002 0.000 0.285 371 V C -0.223 176.017 176.094 0.243 0.000 1.014 371 V CA -0.834 61.547 62.300 0.134 0.000 0.831 371 V CB 1.232 32.930 31.823 -0.208 0.000 1.000 371 V HN 0.213 nan 8.190 nan 0.000 0.433 372 E N 5.764 126.150 120.200 0.309 0.000 2.374 372 E HA 0.208 4.559 4.350 0.002 0.000 0.260 372 E C -1.694 174.946 176.600 0.066 0.000 1.101 372 E CA -1.584 54.869 56.400 0.088 0.000 0.907 372 E CB 0.878 30.502 29.700 -0.128 0.000 1.014 372 E HN 0.341 nan 8.360 nan 0.000 0.427 373 P HA -0.194 nan 4.420 nan 0.000 0.216 373 P C 1.311 178.631 177.300 0.033 0.000 1.153 373 P CA 1.569 64.707 63.100 0.064 0.000 0.858 373 P CB 0.011 31.745 31.700 0.057 0.000 0.789 374 G N -1.394 107.387 108.800 -0.033 0.000 2.450 374 G HA2 -0.287 3.674 3.960 0.002 0.000 0.220 374 G HA3 -0.287 3.674 3.960 0.002 0.000 0.220 374 G C 1.216 176.096 174.900 -0.034 0.000 1.130 374 G CA 1.053 46.118 45.100 -0.058 0.000 0.760 374 G HN 0.379 nan 8.290 nan 0.000 0.557 375 H N -1.045 118.032 119.070 0.012 0.000 2.333 375 H HA 0.050 4.606 4.556 0.002 0.000 0.302 375 H C 2.388 177.696 175.328 -0.033 0.000 1.075 375 H CA 0.819 56.855 56.048 -0.020 0.000 1.348 375 H CB 0.015 29.749 29.762 -0.047 0.000 1.393 375 H HN 0.273 nan 8.280 nan 0.000 0.509 376 L N 1.145 122.437 121.223 0.115 0.000 2.083 376 L HA -0.171 4.170 4.340 0.002 0.000 0.209 376 L C 1.670 178.555 176.870 0.025 0.000 1.083 376 L CA 1.847 56.721 54.840 0.057 0.000 0.752 376 L CB -0.486 41.630 42.059 0.095 0.000 0.899 376 L HN 0.186 nan 8.230 nan 0.000 0.433 377 D N -1.302 119.118 120.400 0.033 0.000 2.182 377 D HA -0.235 4.406 4.640 0.002 0.000 0.201 377 D C 2.129 178.402 176.300 -0.045 0.000 0.986 377 D CA 1.126 55.122 54.000 -0.007 0.000 0.847 377 D CB 0.043 40.890 40.800 0.078 0.000 0.942 377 D HN 0.528 nan 8.370 nan 0.000 0.467 378 Q N -0.646 119.170 119.800 0.026 0.000 2.170 378 Q HA -0.072 4.269 4.340 0.002 0.000 0.203 378 Q C 1.849 177.839 176.000 -0.016 0.000 0.976 378 Q CA 0.755 56.581 55.803 0.038 0.000 0.858 378 Q CB 0.026 28.795 28.738 0.052 0.000 0.907 378 Q HN 0.417 nan 8.270 nan 0.000 0.433 379 L N 0.081 121.279 121.223 -0.041 0.000 2.591 379 L HA 0.025 4.366 4.340 0.002 0.000 0.228 379 L C 1.424 178.251 176.870 -0.071 0.000 1.133 379 L CA 0.113 54.926 54.840 -0.045 0.000 0.880 379 L CB 0.065 42.103 42.059 -0.035 0.000 1.033 379 L HN 0.215 nan 8.230 nan 0.000 0.450 380 L N -1.550 119.559 121.223 -0.190 0.000 2.554 380 L HA 0.176 4.517 4.340 0.002 0.000 0.225 380 L C 0.510 177.168 176.870 -0.354 0.000 1.104 380 L CA -0.000 54.704 54.840 -0.227 0.000 0.866 380 L CB -0.116 41.773 42.059 -0.282 0.000 1.047 380 L HN 0.276 nan 8.230 nan 0.000 0.468 381 H N -1.115 117.923 119.070 -0.053 0.000 2.771 381 H HA 0.446 5.003 4.556 0.002 0.000 0.367 381 H C -2.381 172.876 175.328 -0.119 0.000 1.172 381 H CA -2.696 53.257 56.048 -0.158 0.000 1.186 381 H CB 0.921 30.571 29.762 -0.186 0.000 1.790 381 H HN -0.303 nan 8.280 nan 0.000 0.556 382 P HA 0.120 nan 4.420 nan 0.000 0.271 382 P C -0.280 176.926 177.300 -0.157 0.000 1.218 382 P CA -0.134 62.914 63.100 -0.087 0.000 0.780 382 P CB 0.832 32.462 31.700 -0.118 0.000 0.901 383 Q N 1.120 120.819 119.800 -0.170 0.000 2.421 383 Q HA 0.434 4.775 4.340 0.002 0.000 0.280 383 Q C -0.788 175.097 176.000 -0.190 0.000 1.085 383 Q CA -0.690 54.990 55.803 -0.204 0.000 0.807 383 Q CB 1.254 29.961 28.738 -0.051 0.000 1.405 383 Q HN 0.292 nan 8.270 nan 0.000 0.419 384 F N 1.201 121.195 119.950 0.073 0.000 2.418 384 F HA 0.109 4.637 4.527 0.002 0.000 0.341 384 F C 1.926 177.767 175.800 0.068 0.000 1.120 384 F CA -0.104 57.952 58.000 0.092 0.000 1.232 384 F CB 0.543 39.659 39.000 0.194 0.000 1.175 384 F HN 0.436 nan 8.300 nan 0.000 0.569 385 E N 1.501 121.856 120.200 0.258 0.000 1.984 385 E HA -0.239 4.112 4.350 0.002 0.000 0.203 385 E C 0.451 177.119 176.600 0.114 0.000 0.998 385 E CA 1.031 57.513 56.400 0.137 0.000 0.865 385 E CB -0.309 29.452 29.700 0.101 0.000 0.806 385 E HN 0.629 nan 8.360 nan 0.000 0.504 386 N N 1.652 120.406 118.700 0.090 0.000 2.801 386 N HA 0.086 4.827 4.740 0.002 0.000 0.235 386 N C -1.937 173.548 175.510 -0.041 0.000 1.069 386 N CA -1.254 51.809 53.050 0.020 0.000 0.946 386 N CB 0.955 39.443 38.487 0.002 0.000 1.212 386 N HN -0.072 nan 8.380 nan 0.000 0.509 387 P HA -0.119 nan 4.420 nan 0.000 0.225 387 P C 1.198 177.928 177.300 -0.950 0.000 1.148 387 P CA 0.836 63.647 63.100 -0.481 0.000 0.779 387 P CB 0.284 31.902 31.700 -0.138 0.000 0.780 388 S N 0.465 115.905 115.700 -0.434 0.000 2.387 388 S HA 0.000 4.471 4.470 0.002 0.000 0.226 388 S C 2.203 176.628 174.600 -0.292 0.000 1.026 388 S CA 0.794 58.791 58.200 -0.339 0.000 0.972 388 S CB -1.286 61.817 63.200 -0.162 0.000 0.814 388 S HN 0.130 nan 8.310 nan 0.000 0.477 389 A N 0.992 123.685 122.820 -0.211 0.000 2.216 389 A HA 0.088 4.409 4.320 0.002 0.000 0.214 389 A C 1.685 179.246 177.584 -0.038 0.000 1.160 389 A CA 0.992 52.971 52.037 -0.097 0.000 0.725 389 A CB -0.913 18.061 19.000 -0.043 0.000 0.784 389 A HN 0.965 nan 8.150 nan 0.000 0.472 390 Y N -3.340 116.905 120.300 -0.091 0.000 2.507 390 Y HA 0.536 5.087 4.550 0.002 0.000 0.254 390 Y C 1.718 177.561 175.900 -0.095 0.000 1.171 390 Y CA -0.171 57.857 58.100 -0.119 0.000 1.238 390 Y CB -0.963 37.373 38.460 -0.208 0.000 1.148 390 Y HN 0.130 nan 8.280 nan 0.000 0.525 391 K N 0.883 121.299 120.400 0.027 0.000 2.160 391 K HA -0.190 4.131 4.320 0.002 0.000 0.206 391 K C 1.364 178.003 176.600 0.065 0.000 1.047 391 K CA 2.226 58.538 56.287 0.041 0.000 0.930 391 K CB -1.043 31.433 32.500 -0.040 0.000 0.720 391 K HN 0.531 nan 8.250 nan 0.000 0.450 392 D N -0.572 119.854 120.400 0.044 0.000 2.289 392 D HA -0.032 4.609 4.640 0.002 0.000 0.207 392 D C 1.819 178.126 176.300 0.012 0.000 0.966 392 D CA 0.771 54.786 54.000 0.025 0.000 0.868 392 D CB 0.310 41.117 40.800 0.012 0.000 0.943 392 D HN 0.599 nan 8.370 nan 0.000 0.514 393 Q N 0.003 119.814 119.800 0.020 0.000 2.425 393 Q HA 0.063 4.404 4.340 0.002 0.000 0.204 393 Q C 0.153 176.116 176.000 -0.062 0.000 0.933 393 Q CA -0.008 55.772 55.803 -0.038 0.000 0.939 393 Q CB 0.823 29.531 28.738 -0.050 0.000 1.044 393 Q HN -0.003 nan 8.270 nan 0.000 0.513 394 V N 2.672 122.586 119.914 -0.001 0.000 2.485 394 V HA -0.035 4.086 4.120 0.002 0.000 0.287 394 V C 1.011 177.102 176.094 -0.005 0.000 1.022 394 V CA 0.582 62.877 62.300 -0.008 0.000 1.067 394 V CB 0.256 32.121 31.823 0.069 0.000 0.967 394 V HN 0.359 nan 8.190 nan 0.000 0.479 395 I N 1.867 122.428 120.570 -0.016 0.000 4.082 395 I HA 0.781 4.952 4.170 0.002 0.000 0.337 395 I C 0.545 176.709 176.117 0.078 0.000 1.352 395 I CA 0.119 61.446 61.300 0.045 0.000 1.097 395 I CB 0.420 38.432 38.000 0.020 0.000 1.048 395 I HN 0.570 nan 8.210 nan 0.000 0.393 396 A N 0.302 123.147 122.820 0.041 0.000 2.567 396 A HA 0.753 5.074 4.320 0.002 0.000 0.291 396 A C -0.857 176.743 177.584 0.027 0.000 1.048 396 A CA -0.407 51.654 52.037 0.039 0.000 0.661 396 A CB 1.167 20.191 19.000 0.039 0.000 1.288 396 A HN 0.067 nan 8.150 nan 0.000 0.424 397 T N 0.560 115.131 114.554 0.027 0.000 3.011 397 T HA 0.679 5.030 4.350 0.002 0.000 0.303 397 T C 0.210 174.922 174.700 0.020 0.000 0.997 397 T CA 0.200 62.316 62.100 0.027 0.000 1.007 397 T CB 1.547 70.435 68.868 0.033 0.000 1.017 397 T HN 1.532 nan 8.240 nan 0.000 0.443 398 G N 1.588 110.397 108.800 0.016 0.000 3.075 398 G HA2 0.755 4.716 3.960 0.002 0.000 0.253 398 G HA3 0.755 4.716 3.960 0.002 0.000 0.253 398 G C -0.770 174.135 174.900 0.007 0.000 1.353 398 G CA -1.008 44.097 45.100 0.009 0.000 1.051 398 G HN 0.697 nan 8.290 nan 0.000 0.553 399 L N 1.660 122.882 121.223 -0.001 0.000 2.416 399 L HA 0.263 4.604 4.340 0.002 0.000 0.272 399 L C -1.614 175.251 176.870 -0.008 0.000 1.161 399 L CA -1.371 53.466 54.840 -0.005 0.000 0.845 399 L CB 1.363 43.415 42.059 -0.013 0.000 1.119 399 L HN 0.313 nan 8.230 nan 0.000 0.464 400 P HA 0.065 nan 4.420 nan 0.000 0.220 400 P C 0.483 177.764 177.300 -0.032 0.000 1.806 400 P CA -0.112 62.982 63.100 -0.011 0.000 0.976 400 P CB 0.631 32.333 31.700 0.003 0.000 1.952 401 A N 1.025 123.820 122.820 -0.042 0.000 2.024 401 A HA -0.073 4.248 4.320 0.002 0.000 0.220 401 A C 1.199 178.733 177.584 -0.084 0.000 1.164 401 A CA 1.274 53.275 52.037 -0.060 0.000 0.643 401 A CB -0.336 18.626 19.000 -0.065 0.000 0.806 401 A HN 0.457 nan 8.150 nan 0.000 0.451 402 S N -0.506 115.135 115.700 -0.097 0.000 2.616 402 S HA 0.451 4.922 4.470 0.002 0.000 0.276 402 S C -3.173 171.317 174.600 -0.185 0.000 1.159 402 S CA -1.353 56.760 58.200 -0.147 0.000 1.000 402 S CB 1.432 64.536 63.200 -0.159 0.000 1.117 402 S HN 0.094 nan 8.310 nan 0.000 0.464 403 P HA 0.459 nan 4.420 nan 0.000 0.268 403 P C 0.354 177.429 177.300 -0.375 0.000 1.208 403 P CA 0.766 63.724 63.100 -0.237 0.000 0.777 403 P CB 0.343 31.947 31.700 -0.160 0.000 0.875 404 G N -0.118 108.558 108.800 -0.206 0.000 2.465 404 G HA2 0.379 4.340 3.960 0.002 0.000 0.681 404 G HA3 0.379 4.340 3.960 0.002 0.000 0.681 404 G C -1.307 173.457 174.900 -0.228 0.000 1.340 404 G CA -0.293 44.688 45.100 -0.197 0.000 0.884 404 G HN 0.567 nan 8.290 nan 0.000 0.650 405 A N 0.003 122.600 122.820 -0.371 0.000 2.306 405 A HA 1.103 5.424 4.320 0.002 0.000 0.314 405 A C 0.524 177.863 177.584 -0.408 0.000 1.164 405 A CA 0.604 52.217 52.037 -0.708 0.000 0.822 405 A CB 1.436 19.420 19.000 -1.694 0.000 1.130 405 A HN 2.594 nan 8.150 nan 0.000 0.496 406 A N 1.232 123.930 122.820 -0.204 0.000 2.449 406 A HA 0.695 5.016 4.320 0.002 0.000 0.302 406 A C -1.286 176.365 177.584 0.111 0.000 1.048 406 A CA -0.438 51.576 52.037 -0.038 0.000 0.708 406 A CB 1.615 20.600 19.000 -0.026 0.000 1.274 406 A HN 1.291 nan 8.150 nan 0.000 0.410 407 V N 1.461 121.454 119.914 0.132 0.000 2.524 407 V HA 0.843 4.964 4.120 0.002 0.000 0.297 407 V C 0.439 176.713 176.094 0.299 0.000 1.035 407 V CA 0.447 62.883 62.300 0.228 0.000 0.867 407 V CB 1.386 33.344 31.823 0.226 0.000 1.004 407 V HN 1.688 nan 8.190 nan 0.000 0.426 408 G N 3.544 112.526 108.800 0.305 0.000 2.548 408 G HA2 0.491 4.452 3.960 0.002 0.000 0.301 408 G HA3 0.491 4.452 3.960 0.002 0.000 0.301 408 G C -1.780 172.971 174.900 -0.248 0.000 1.349 408 G CA -0.724 44.464 45.100 0.147 0.000 0.792 408 G HN 0.475 nan 8.290 nan 0.000 0.481 409 Q N -0.088 119.306 119.800 -0.676 0.000 2.267 409 Q HA 0.475 4.816 4.340 0.002 0.000 0.255 409 Q C -0.005 175.549 176.000 -0.743 0.000 0.923 409 Q CA -0.571 54.728 55.803 -0.840 0.000 0.925 409 Q CB 2.407 30.620 28.738 -0.874 0.000 1.195 409 Q HN 0.319 nan 8.270 nan 0.000 0.417 410 V N 3.563 123.114 119.914 -0.606 0.000 2.585 410 V HA 0.150 4.271 4.120 0.002 0.000 0.296 410 V C 0.324 175.865 176.094 -0.922 0.000 1.035 410 V CA -0.022 61.887 62.300 -0.652 0.000 1.084 410 V CB 0.450 31.978 31.823 -0.491 0.000 0.953 410 V HN 0.608 nan 8.190 nan 0.000 0.483 411 V N 2.100 121.406 119.914 -1.014 0.000 3.130 411 V HA 0.655 4.776 4.120 0.002 0.000 0.310 411 V C -0.610 174.880 176.094 -1.007 0.000 1.158 411 V CA -0.632 61.083 62.300 -0.974 0.000 1.029 411 V CB 2.190 33.571 31.823 -0.737 0.000 1.057 411 V HN 0.494 nan 8.190 nan 0.000 0.436 412 F N 0.510 120.379 119.950 -0.134 0.000 2.729 412 F HA 0.470 4.998 4.527 0.002 0.000 0.315 412 F C 0.945 176.712 175.800 -0.055 0.000 1.102 412 F CA 0.348 58.298 58.000 -0.084 0.000 1.204 412 F CB 0.693 39.654 39.000 -0.065 0.000 1.052 412 F HN 0.855 nan 8.300 nan 0.000 0.551 413 T N -3.419 111.161 114.554 0.043 0.000 2.903 413 T HA 0.695 5.046 4.350 0.002 0.000 0.299 413 T C 0.855 175.564 174.700 0.014 0.000 1.093 413 T CA -0.284 61.843 62.100 0.045 0.000 1.002 413 T CB 1.923 70.829 68.868 0.064 0.000 1.127 413 T HN -0.079 nan 8.240 nan 0.000 0.488 414 A N 1.123 123.958 122.820 0.024 0.000 1.933 414 A HA -0.027 4.294 4.320 0.002 0.000 0.218 414 A C 1.974 179.582 177.584 0.041 0.000 1.175 414 A CA 1.778 53.832 52.037 0.029 0.000 0.628 414 A CB -0.989 18.032 19.000 0.036 0.000 0.814 414 A HN 0.903 nan 8.150 nan 0.000 0.444 415 E N 0.791 121.019 120.200 0.048 0.000 2.085 415 E HA -0.165 4.186 4.350 0.002 0.000 0.194 415 E C 1.525 178.182 176.600 0.096 0.000 0.994 415 E CA 1.526 57.965 56.400 0.064 0.000 0.801 415 E CB -0.288 29.448 29.700 0.059 0.000 0.743 415 E HN 0.593 nan 8.360 nan 0.000 0.453 416 D N -0.121 120.338 120.400 0.098 0.000 2.178 416 D HA -0.066 4.575 4.640 0.002 0.000 0.202 416 D C 1.778 178.201 176.300 0.205 0.000 0.974 416 D CA 1.288 55.392 54.000 0.175 0.000 0.841 416 D CB -0.201 40.657 40.800 0.096 0.000 0.953 416 D HN 0.208 nan 8.370 nan 0.000 0.478 417 A N 1.035 123.893 122.820 0.063 0.000 1.930 417 A HA -0.174 4.147 4.320 0.002 0.000 0.217 417 A C 2.077 179.763 177.584 0.169 0.000 1.175 417 A CA 1.194 53.264 52.037 0.055 0.000 0.627 417 A CB -0.390 18.600 19.000 -0.018 0.000 0.815 417 A HN 0.155 nan 8.150 nan 0.000 0.443 418 E N -0.297 119.985 120.200 0.138 0.000 2.072 418 E HA -0.079 4.272 4.350 0.002 0.000 0.191 418 E C 2.335 179.046 176.600 0.185 0.000 0.985 418 E CA 0.844 57.331 56.400 0.145 0.000 0.801 418 E CB -0.246 29.506 29.700 0.088 0.000 0.750 418 E HN 0.616 nan 8.360 nan 0.000 0.452 419 A N 1.209 124.140 122.820 0.186 0.000 1.877 419 A HA -0.189 4.132 4.320 0.002 0.000 0.216 419 A C 1.933 179.595 177.584 0.130 0.000 1.186 419 A CA 0.942 53.061 52.037 0.137 0.000 0.620 419 A CB -0.962 18.125 19.000 0.145 0.000 0.822 419 A HN 0.435 nan 8.150 nan 0.000 0.443 420 W N -0.710 120.592 121.300 0.003 0.000 2.335 420 W HA -0.227 4.434 4.660 0.002 0.000 0.311 420 W C 2.364 178.892 176.519 0.015 0.000 1.213 420 W CA 1.989 59.328 57.345 -0.010 0.000 1.274 420 W CB -0.647 28.793 29.460 -0.033 0.000 1.148 420 W HN 0.741 nan 8.180 nan 0.000 0.498 421 H N 0.527 119.714 119.070 0.195 0.000 2.353 421 H HA -0.187 4.370 4.556 0.002 0.000 0.300 421 H C 2.454 177.808 175.328 0.044 0.000 1.090 421 H CA 2.914 59.023 56.048 0.101 0.000 1.327 421 H CB -0.356 29.452 29.762 0.076 0.000 1.383 421 H HN -0.065 nan 8.280 nan 0.000 0.508 422 S N -0.627 115.076 115.700 0.005 0.000 2.469 422 S HA -0.129 4.342 4.470 0.002 0.000 0.238 422 S C 1.507 176.031 174.600 -0.125 0.000 0.998 422 S CA 0.989 59.145 58.200 -0.072 0.000 0.957 422 S CB -0.016 63.184 63.200 0.002 0.000 0.764 422 S HN 0.484 nan 8.310 nan 0.000 0.514 423 Q N 0.590 120.311 119.800 -0.133 0.000 2.220 423 Q HA 0.300 4.641 4.340 0.002 0.000 0.205 423 Q C 1.135 177.055 176.000 -0.133 0.000 0.865 423 Q CA 0.480 56.193 55.803 -0.150 0.000 0.960 423 Q CB 0.166 28.772 28.738 -0.221 0.000 1.097 423 Q HN 0.761 nan 8.270 nan 0.000 0.493 424 G N 1.766 110.474 108.800 -0.154 0.000 2.221 424 G HA2 -0.299 3.662 3.960 0.002 0.000 0.265 424 G HA3 -0.299 3.662 3.960 0.002 0.000 0.265 424 G C -0.113 174.776 174.900 -0.019 0.000 1.041 424 G CA 0.512 45.543 45.100 -0.115 0.000 0.807 424 G HN 0.232 nan 8.290 nan 0.000 0.502 425 K N -0.505 119.914 120.400 0.031 0.000 2.281 425 K HA 0.758 5.079 4.320 0.002 0.000 0.242 425 K C 0.184 176.966 176.600 0.303 0.000 0.971 425 K CA -0.331 56.052 56.287 0.160 0.000 0.834 425 K CB 2.023 34.567 32.500 0.073 0.000 1.181 425 K HN 0.471 nan 8.250 nan 0.000 0.435 426 A N 1.316 124.322 122.820 0.310 0.000 2.309 426 A HA 0.616 4.937 4.320 0.002 0.000 0.290 426 A C -0.663 176.962 177.584 0.069 0.000 1.206 426 A CA -0.325 51.844 52.037 0.220 0.000 0.850 426 A CB 0.284 19.430 19.000 0.243 0.000 1.118 426 A HN 0.674 nan 8.150 nan 0.000 0.523 427 A N 3.115 125.898 122.820 -0.062 0.000 2.386 427 A HA 0.712 5.033 4.320 0.002 0.000 0.311 427 A C -0.633 176.794 177.584 -0.263 0.000 1.068 427 A CA -0.502 51.303 52.037 -0.387 0.000 0.743 427 A CB 0.818 19.481 19.000 -0.561 0.000 1.258 427 A HN 0.633 nan 8.150 nan 0.000 0.429 428 I N 2.884 123.255 120.570 -0.333 0.000 2.328 428 I HA 0.202 4.373 4.170 0.002 0.000 0.287 428 I C -0.389 175.555 176.117 -0.287 0.000 1.012 428 I CA -0.466 60.698 61.300 -0.227 0.000 1.195 428 I CB 0.977 38.869 38.000 -0.181 0.000 1.350 428 I HN 0.624 nan 8.210 nan 0.000 0.464 429 L N 9.182 130.285 121.223 -0.200 0.000 2.369 429 L HA 0.315 4.656 4.340 0.002 0.000 0.279 429 L C -0.455 176.331 176.870 -0.139 0.000 1.108 429 L CA 0.266 54.993 54.840 -0.187 0.000 0.852 429 L CB 0.813 42.816 42.059 -0.093 0.000 1.169 429 L HN 0.284 nan 8.230 nan 0.000 0.452 430 V N 6.914 126.728 119.914 -0.167 0.000 2.378 430 V HA 0.644 4.765 4.120 0.002 0.000 0.288 430 V C 0.135 176.284 176.094 0.093 0.000 1.016 430 V CA -0.594 61.685 62.300 -0.035 0.000 0.840 430 V CB 1.083 32.895 31.823 -0.018 0.000 0.994 430 V HN 0.803 nan 8.190 nan 0.000 0.431 431 R N 2.452 122.991 120.500 0.066 0.000 2.799 431 R HA 0.669 5.010 4.340 0.002 0.000 0.270 431 R C 0.953 177.275 176.300 0.038 0.000 1.010 431 R CA -0.327 55.814 56.100 0.069 0.000 0.916 431 R CB 2.137 32.459 30.300 0.038 0.000 1.228 431 R HN 0.615 nan 8.270 nan 0.000 0.469 432 A N 1.152 123.985 122.820 0.021 0.000 1.865 432 A HA -0.180 4.141 4.320 0.002 0.000 0.217 432 A C 0.456 178.037 177.584 -0.005 0.000 1.191 432 A CA 1.844 53.882 52.037 0.002 0.000 0.623 432 A CB -0.372 18.621 19.000 -0.011 0.000 0.826 432 A HN 0.772 nan 8.150 nan 0.000 0.444 433 E N -2.975 117.217 120.200 -0.013 0.000 2.429 433 E HA 0.501 4.852 4.350 0.002 0.000 0.280 433 E C -0.900 175.676 176.600 -0.040 0.000 1.068 433 E CA -0.421 55.966 56.400 -0.021 0.000 0.837 433 E CB 0.758 30.439 29.700 -0.032 0.000 1.357 433 E HN 0.172 nan 8.360 nan 0.000 0.455 434 T N -1.144 113.379 114.554 -0.052 0.000 2.940 434 T HA 0.757 5.108 4.350 0.002 0.000 0.288 434 T C -0.054 174.368 174.700 -0.462 0.000 1.033 434 T CA -0.372 61.649 62.100 -0.130 0.000 1.033 434 T CB 1.434 70.331 68.868 0.048 0.000 1.079 434 T HN 0.766 nan 8.240 nan 0.000 0.496 435 S N 0.169 115.525 115.700 -0.573 0.000 2.667 435 S HA 0.617 5.088 4.470 0.002 0.000 0.292 435 S C -2.344 171.878 174.600 -0.629 0.000 1.126 435 S CA -1.623 56.153 58.200 -0.707 0.000 0.881 435 S CB 1.613 64.630 63.200 -0.305 0.000 1.132 435 S HN 0.521 nan 8.310 nan 0.000 0.492 436 P HA -0.087 nan 4.420 nan 0.000 0.229 436 P C 0.588 177.851 177.300 -0.062 0.000 1.150 436 P CA 1.063 64.115 63.100 -0.080 0.000 0.765 436 P CB -0.090 31.547 31.700 -0.106 0.000 0.783 437 E N -0.193 119.956 120.200 -0.086 0.000 2.299 437 E HA -0.065 4.286 4.350 0.002 0.000 0.193 437 E C 0.948 177.547 176.600 -0.001 0.000 0.998 437 E CA 0.484 56.864 56.400 -0.033 0.000 0.851 437 E CB -0.157 29.520 29.700 -0.038 0.000 0.795 437 E HN 0.354 nan 8.360 nan 0.000 0.492 438 D N 0.559 120.957 120.400 -0.003 0.000 2.350 438 D HA -0.011 4.630 4.640 0.002 0.000 0.213 438 D C 1.895 178.266 176.300 0.118 0.000 1.031 438 D CA 0.131 54.156 54.000 0.043 0.000 0.861 438 D CB 0.435 41.249 40.800 0.024 0.000 0.926 438 D HN -0.029 nan 8.370 nan 0.000 0.520 439 V N 1.642 121.650 119.914 0.157 0.000 2.277 439 V HA -0.290 3.831 4.120 0.002 0.000 0.253 439 V C 2.625 178.870 176.094 0.251 0.000 1.067 439 V CA 2.346 64.815 62.300 0.282 0.000 1.047 439 V CB -0.962 30.996 31.823 0.226 0.000 0.649 439 V HN 0.296 nan 8.190 nan 0.000 0.447 440 G N -0.547 108.320 108.800 0.111 0.000 2.440 440 G HA2 -0.161 3.800 3.960 0.002 0.000 0.218 440 G HA3 -0.161 3.800 3.960 0.002 0.000 0.218 440 G C 1.569 176.487 174.900 0.029 0.000 1.154 440 G CA 0.952 46.069 45.100 0.029 0.000 0.767 440 G HN 0.625 nan 8.290 nan 0.000 0.552 441 G N 0.219 109.054 108.800 0.058 0.000 2.430 441 G HA2 -0.050 3.911 3.960 0.002 0.000 0.216 441 G HA3 -0.050 3.911 3.960 0.002 0.000 0.216 441 G C 1.862 176.796 174.900 0.058 0.000 1.146 441 G CA 0.646 45.773 45.100 0.045 0.000 0.793 441 G HN 0.396 nan 8.290 nan 0.000 0.537 442 M N -0.355 119.328 119.600 0.139 0.000 2.159 442 M HA -0.051 4.430 4.480 0.002 0.000 0.263 442 M C 2.364 178.775 176.300 0.186 0.000 1.063 442 M CA 1.043 56.475 55.300 0.219 0.000 1.110 442 M CB -0.337 32.495 32.600 0.386 0.000 1.374 442 M HN 0.246 nan 8.290 nan 0.000 0.411 443 H N 0.017 119.024 119.070 -0.106 0.000 2.395 443 H HA 0.019 4.576 4.556 0.002 0.000 0.299 443 H C 1.884 176.954 175.328 -0.429 0.000 1.070 443 H CA 1.801 57.459 56.048 -0.649 0.000 1.356 443 H CB 0.231 29.449 29.762 -0.907 0.000 1.401 443 H HN 0.343 nan 8.280 nan 0.000 0.524 444 A N 1.099 123.833 122.820 -0.143 0.000 2.014 444 A HA 0.254 4.575 4.320 0.002 0.000 0.218 444 A C 1.581 179.130 177.584 -0.058 0.000 1.163 444 A CA 0.664 52.572 52.037 -0.216 0.000 0.652 444 A CB -0.528 18.420 19.000 -0.087 0.000 0.808 444 A HN 0.451 nan 8.150 nan 0.000 0.449 445 A N -0.441 122.357 122.820 -0.037 0.000 2.332 445 A HA 0.431 4.752 4.320 0.002 0.000 0.258 445 A C 1.265 178.833 177.584 -0.027 0.000 1.087 445 A CA 0.276 52.298 52.037 -0.024 0.000 0.802 445 A CB 0.348 19.320 19.000 -0.046 0.000 1.042 445 A HN 1.102 nan 8.150 nan 0.000 0.489 446 V N -1.204 118.703 119.914 -0.013 0.000 3.506 446 V HA 0.534 4.655 4.120 0.002 0.000 0.263 446 V C 0.766 176.841 176.094 -0.032 0.000 1.203 446 V CA 0.774 63.068 62.300 -0.010 0.000 1.133 446 V CB -0.925 30.914 31.823 0.026 0.000 0.802 446 V HN 1.431 nan 8.190 nan 0.000 0.459 447 G N -0.171 108.607 108.800 -0.037 0.000 2.732 447 G HA2 0.680 4.641 3.960 0.002 0.000 0.296 447 G HA3 0.680 4.641 3.960 0.002 0.000 0.296 447 G C -1.584 173.291 174.900 -0.042 0.000 1.448 447 G CA -0.744 44.332 45.100 -0.040 0.000 0.911 447 G HN 0.176 nan 8.290 nan 0.000 0.528 448 I N 0.739 121.291 120.570 -0.031 0.000 2.509 448 I HA 0.575 4.746 4.170 0.002 0.000 0.293 448 I C -1.102 174.999 176.117 -0.028 0.000 1.020 448 I CA -1.048 60.237 61.300 -0.026 0.000 1.088 448 I CB 2.291 40.290 38.000 -0.001 0.000 1.267 448 I HN 0.370 nan 8.210 nan 0.000 0.430 449 L N 6.164 127.371 121.223 -0.027 0.000 2.406 449 L HA 0.646 4.987 4.340 0.002 0.000 0.272 449 L C -0.252 176.616 176.870 -0.003 0.000 0.980 449 L CA 0.183 55.013 54.840 -0.016 0.000 0.831 449 L CB 1.857 43.904 42.059 -0.018 0.000 1.253 449 L HN 0.766 nan 8.230 nan 0.000 0.406 450 T N 0.152 114.706 114.554 -0.001 0.000 2.942 450 T HA 0.800 5.151 4.350 0.002 0.000 0.289 450 T C 0.502 175.204 174.700 0.004 0.000 1.044 450 T CA 0.107 62.210 62.100 0.004 0.000 1.023 450 T CB 1.676 70.544 68.868 -0.000 0.000 1.123 450 T HN 0.591 nan 8.240 nan 0.000 0.512 451 E N 1.070 121.272 120.200 0.004 0.000 2.079 451 E HA 0.230 4.581 4.350 0.002 0.000 0.191 451 E C 1.050 177.647 176.600 -0.006 0.000 0.961 451 E CA 0.394 56.795 56.400 0.001 0.000 0.823 451 E CB -0.225 29.476 29.700 0.000 0.000 0.789 451 E HN 0.799 nan 8.360 nan 0.000 0.459 452 R N -1.622 118.872 120.500 -0.010 0.000 2.607 452 R HA 0.624 4.965 4.340 0.002 0.000 0.261 452 R C 0.255 176.546 176.300 -0.016 0.000 1.051 452 R CA -0.161 55.931 56.100 -0.014 0.000 1.110 452 R CB 1.584 31.874 30.300 -0.018 0.000 1.158 452 R HN 0.656 nan 8.270 nan 0.000 0.543 453 G N -0.558 108.230 108.800 -0.020 0.000 2.788 453 G HA2 0.096 4.057 3.960 0.002 0.000 0.686 453 G HA3 0.096 4.057 3.960 0.002 0.000 0.686 453 G C -0.280 174.604 174.900 -0.026 0.000 1.147 453 G CA -0.619 44.467 45.100 -0.024 0.000 0.755 453 G HN 0.821 nan 8.290 nan 0.000 0.634 454 G N -0.080 108.700 108.800 -0.033 0.000 2.736 454 G HA2 0.612 4.573 3.960 0.002 0.000 0.229 454 G HA3 0.612 4.573 3.960 0.002 0.000 0.229 454 G C 1.432 176.306 174.900 -0.043 0.000 1.380 454 G CA 0.015 45.095 45.100 -0.034 0.000 1.040 454 G HN 0.684 nan 8.290 nan 0.000 0.568 455 M N 0.224 119.799 119.600 -0.043 0.000 2.530 455 M HA -0.015 4.466 4.480 0.002 0.000 0.261 455 M C 1.626 177.885 176.300 -0.067 0.000 1.067 455 M CA 1.078 56.348 55.300 -0.050 0.000 1.071 455 M CB -1.052 31.525 32.600 -0.039 0.000 1.405 455 M HN 0.338 nan 8.290 nan 0.000 0.478 456 T N -0.501 114.010 114.554 -0.071 0.000 3.084 456 T HA 0.110 4.461 4.350 0.002 0.000 0.270 456 T C 0.862 175.508 174.700 -0.090 0.000 1.008 456 T CA -0.085 61.961 62.100 -0.090 0.000 0.900 456 T CB 0.311 69.123 68.868 -0.094 0.000 1.084 456 T HN 0.476 nan 8.240 nan 0.000 0.538 457 S N 0.913 116.571 115.700 -0.070 0.000 2.598 457 S HA 0.073 4.544 4.470 0.002 0.000 0.256 457 S C 1.226 175.794 174.600 -0.053 0.000 1.350 457 S CA -0.491 57.682 58.200 -0.045 0.000 0.984 457 S CB 0.410 63.593 63.200 -0.027 0.000 0.930 457 S HN 0.397 nan 8.310 nan 0.000 0.577 458 H N 1.034 120.037 119.070 -0.111 0.000 2.352 458 H HA -0.116 4.441 4.556 0.002 0.000 0.299 458 H C 2.153 177.390 175.328 -0.152 0.000 1.097 458 H CA 2.067 58.036 56.048 -0.132 0.000 1.311 458 H CB -0.770 28.924 29.762 -0.114 0.000 1.377 458 H HN 0.765 nan 8.280 nan 0.000 0.504 459 A N 1.212 124.045 122.820 0.022 0.000 1.873 459 A HA -0.044 4.277 4.320 0.002 0.000 0.215 459 A C 2.779 180.270 177.584 -0.156 0.000 1.186 459 A CA 1.866 53.878 52.037 -0.042 0.000 0.616 459 A CB -1.123 17.883 19.000 0.011 0.000 0.823 459 A HN 0.573 nan 8.150 nan 0.000 0.442 460 A N -0.456 122.286 122.820 -0.131 0.000 1.865 460 A HA -0.046 4.275 4.320 0.002 0.000 0.217 460 A C 2.263 179.724 177.584 -0.206 0.000 1.191 460 A CA 1.990 53.941 52.037 -0.143 0.000 0.623 460 A CB -1.149 17.788 19.000 -0.105 0.000 0.826 460 A HN 0.405 nan 8.150 nan 0.000 0.444 461 V N -0.344 119.426 119.914 -0.241 0.000 2.233 461 V HA -0.265 3.856 4.120 0.002 0.000 0.247 461 V C 2.603 178.454 176.094 -0.405 0.000 1.050 461 V CA 2.169 64.299 62.300 -0.284 0.000 1.010 461 V CB -0.951 30.701 31.823 -0.284 0.000 0.637 461 V HN 0.376 nan 8.190 nan 0.000 0.444 462 V N 0.283 119.856 119.914 -0.569 0.000 2.332 462 V HA -0.291 3.830 4.120 0.002 0.000 0.248 462 V C 2.694 178.229 176.094 -0.931 0.000 1.055 462 V CA 2.131 63.919 62.300 -0.855 0.000 1.038 462 V CB -1.242 29.998 31.823 -0.971 0.000 0.651 462 V HN 0.578 nan 8.190 nan 0.000 0.450 463 A N -0.372 122.124 122.820 -0.539 0.000 1.902 463 A HA -0.219 4.102 4.320 0.002 0.000 0.217 463 A C 2.401 179.849 177.584 -0.227 0.000 1.181 463 A CA 1.747 53.607 52.037 -0.294 0.000 0.623 463 A CB -0.496 18.408 19.000 -0.160 0.000 0.818 463 A HN 0.487 nan 8.150 nan 0.000 0.443 464 R N -1.026 119.332 120.500 -0.237 0.000 2.092 464 R HA -0.100 4.241 4.340 0.002 0.000 0.231 464 R C 2.330 178.561 176.300 -0.115 0.000 1.119 464 R CA 1.020 57.026 56.100 -0.157 0.000 0.970 464 R CB -0.587 29.634 30.300 -0.133 0.000 0.864 464 R HN 0.543 nan 8.270 nan 0.000 0.440 465 G N -0.212 108.451 108.800 -0.229 0.000 2.470 465 G HA2 -0.198 3.763 3.960 0.002 0.000 0.220 465 G HA3 -0.198 3.763 3.960 0.002 0.000 0.220 465 G C 0.595 175.527 174.900 0.053 0.000 1.121 465 G CA 0.356 45.360 45.100 -0.160 0.000 0.766 465 G HN 0.353 nan 8.290 nan 0.000 0.553 466 W N -0.292 121.010 121.300 0.004 0.000 3.127 466 W HA 0.402 5.063 4.660 0.002 0.000 0.344 466 W C 1.477 178.000 176.519 0.008 0.000 1.151 466 W CA -0.670 56.693 57.345 0.030 0.000 1.765 466 W CB -0.559 28.832 29.460 -0.114 0.000 1.085 466 W HN 0.323 nan 8.180 nan 0.000 0.596 467 G N 2.044 110.912 108.800 0.114 0.000 2.249 467 G HA2 -0.339 3.622 3.960 0.002 0.000 0.273 467 G HA3 -0.339 3.622 3.960 0.002 0.000 0.273 467 G C 0.276 174.993 174.900 -0.305 0.000 1.036 467 G CA 0.550 45.553 45.100 -0.163 0.000 0.824 467 G HN 0.264 nan 8.290 nan 0.000 0.504 468 K N -0.159 120.164 120.400 -0.128 0.000 2.183 468 K HA 0.492 4.813 4.320 0.002 0.000 0.274 468 K C 1.061 177.570 176.600 -0.152 0.000 1.009 468 K CA -0.583 55.636 56.287 -0.113 0.000 0.888 468 K CB 0.809 33.343 32.500 0.057 0.000 1.078 468 K HN 0.430 nan 8.250 nan 0.000 0.459 469 C N 5.009 124.211 119.300 -0.164 0.000 2.523 469 C HA 0.178 4.639 4.460 0.002 0.000 0.406 469 C C 0.116 175.052 174.990 -0.090 0.000 1.449 469 C CA -0.215 58.716 59.018 -0.144 0.000 1.588 469 C CB -1.536 26.131 27.740 -0.121 0.000 2.514 469 C HN 0.800 nan 8.230 nan 0.000 0.606 470 C N 6.979 126.227 119.300 -0.087 0.000 2.752 470 C HA 0.631 5.092 4.460 0.002 0.000 0.360 470 C C -0.825 174.135 174.990 -0.049 0.000 1.081 470 C CA -0.476 58.505 59.018 -0.062 0.000 1.272 470 C CB 0.543 28.239 27.740 -0.074 0.000 1.754 470 C HN 0.865 nan 8.230 nan 0.000 0.483 471 V N 5.596 125.491 119.914 -0.031 0.000 2.347 471 V HA 0.611 4.732 4.120 0.002 0.000 0.280 471 V C 0.445 176.527 176.094 -0.019 0.000 1.021 471 V CA 0.187 62.475 62.300 -0.019 0.000 0.847 471 V CB 1.512 33.331 31.823 -0.007 0.000 0.990 471 V HN 0.956 nan 8.190 nan 0.000 0.444 472 S N 3.598 119.285 115.700 -0.021 0.000 2.747 472 S HA 0.686 5.157 4.470 0.002 0.000 0.300 472 S C 0.942 175.535 174.600 -0.013 0.000 1.121 472 S CA 0.255 58.443 58.200 -0.020 0.000 0.995 472 S CB 1.361 64.543 63.200 -0.031 0.000 1.113 472 S HN 1.779 nan 8.310 nan 0.000 0.547 473 G N 1.116 109.908 108.800 -0.013 0.000 2.385 473 G HA2 -0.230 3.731 3.960 0.002 0.000 0.284 473 G HA3 -0.230 3.731 3.960 0.002 0.000 0.284 473 G C 0.253 175.150 174.900 -0.004 0.000 0.899 473 G CA 0.478 45.572 45.100 -0.010 0.000 1.204 473 G HN 0.838 nan 8.290 nan 0.000 0.486 474 C N 2.278 121.578 119.300 -0.001 0.000 2.183 474 C HA 0.555 5.016 4.460 0.002 0.000 0.409 474 C C 2.283 177.276 174.990 0.005 0.000 1.022 474 C CA 0.070 59.091 59.018 0.004 0.000 1.367 474 C CB -1.390 26.355 27.740 0.008 0.000 1.650 474 C HN 0.955 nan 8.230 nan 0.000 0.499 475 S N 2.769 118.470 115.700 0.002 0.000 2.402 475 S HA -0.119 4.352 4.470 0.002 0.000 0.233 475 S C 1.617 176.218 174.600 0.002 0.000 1.030 475 S CA 1.511 59.711 58.200 -0.000 0.000 1.003 475 S CB -0.451 62.748 63.200 -0.001 0.000 0.813 475 S HN 0.960 nan 8.310 nan 0.000 0.477 476 G N 2.308 111.112 108.800 0.007 0.000 3.375 476 G HA2 0.438 4.399 3.960 0.002 0.000 0.247 476 G HA3 0.438 4.399 3.960 0.002 0.000 0.247 476 G C 0.149 175.056 174.900 0.012 0.000 1.343 476 G CA -0.133 44.971 45.100 0.008 0.000 1.368 476 G HN 0.826 nan 8.290 nan 0.000 0.549 477 I N -3.998 116.577 120.570 0.009 0.000 2.802 477 I HA 0.775 4.946 4.170 0.002 0.000 0.298 477 I C -1.207 174.912 176.117 0.002 0.000 1.176 477 I CA -1.666 59.642 61.300 0.014 0.000 1.025 477 I CB 2.353 40.369 38.000 0.026 0.000 1.243 477 I HN -0.197 nan 8.210 nan 0.000 0.424 478 R N 4.394 124.892 120.500 -0.004 0.000 2.500 478 R HA 0.565 4.906 4.340 0.002 0.000 0.299 478 R C -1.539 174.736 176.300 -0.042 0.000 1.038 478 R CA -0.808 55.278 56.100 -0.023 0.000 0.903 478 R CB 2.591 32.872 30.300 -0.031 0.000 1.177 478 R HN 0.524 nan 8.270 nan 0.000 0.455 479 V N 3.136 123.018 119.914 -0.052 0.000 2.406 479 V HA 0.135 4.256 4.120 0.002 0.000 0.272 479 V C 0.275 176.258 176.094 -0.186 0.000 1.043 479 V CA -0.648 61.581 62.300 -0.118 0.000 0.915 479 V CB 1.164 32.960 31.823 -0.046 0.000 0.988 479 V HN 0.614 nan 8.190 nan 0.000 0.466 480 N N 4.135 122.661 118.700 -0.289 0.000 2.918 480 N HA 0.164 4.905 4.740 0.002 0.000 0.247 480 N C 1.046 176.359 175.510 -0.328 0.000 1.117 480 N CA 0.722 53.624 53.050 -0.248 0.000 1.005 480 N CB 0.962 39.326 38.487 -0.205 0.000 1.297 480 N HN 0.794 nan 8.380 nan 0.000 0.513 481 D N 2.170 122.425 120.400 -0.242 0.000 2.133 481 D HA -0.253 4.388 4.640 0.002 0.000 0.192 481 D C 1.686 177.892 176.300 -0.157 0.000 1.001 481 D CA 2.119 56.002 54.000 -0.195 0.000 0.844 481 D CB -0.387 40.357 40.800 -0.092 0.000 0.944 481 D HN 0.593 nan 8.370 nan 0.000 0.447 482 A N -0.146 122.603 122.820 -0.118 0.000 1.933 482 A HA -0.053 4.268 4.320 0.002 0.000 0.218 482 A C 1.983 179.515 177.584 -0.087 0.000 1.175 482 A CA 1.903 53.891 52.037 -0.082 0.000 0.628 482 A CB -0.240 18.722 19.000 -0.062 0.000 0.814 482 A HN 0.588 nan 8.150 nan 0.000 0.444 483 E N -0.625 119.499 120.200 -0.126 0.000 2.463 483 E HA 0.055 4.406 4.350 0.002 0.000 0.193 483 E C -0.578 175.940 176.600 -0.136 0.000 1.041 483 E CA -0.372 55.964 56.400 -0.107 0.000 0.879 483 E CB 0.266 29.909 29.700 -0.095 0.000 0.997 483 E HN 0.196 nan 8.360 nan 0.000 0.478 484 K N 0.306 120.569 120.400 -0.228 0.000 3.419 484 K HA -0.189 4.132 4.320 0.002 0.000 0.272 484 K C -0.717 175.720 176.600 -0.271 0.000 0.973 484 K CA 0.737 56.878 56.287 -0.242 0.000 0.749 484 K CB -2.067 30.472 32.500 0.065 0.000 1.403 484 K HN 0.237 nan 8.250 nan 0.000 0.456 485 L N -4.373 116.433 121.223 -0.695 0.000 2.671 485 L HA 0.833 5.174 4.340 0.002 0.000 0.259 485 L C -0.973 175.653 176.870 -0.406 0.000 1.021 485 L CA -1.173 53.483 54.840 -0.305 0.000 0.871 485 L CB 1.940 43.939 42.059 -0.099 0.000 1.472 485 L HN -0.169 nan 8.230 nan 0.000 0.410 486 V N -0.221 119.681 119.914 -0.019 0.000 2.733 486 V HA 0.686 4.807 4.120 0.002 0.000 0.306 486 V C -0.877 175.245 176.094 0.046 0.000 1.084 486 V CA 0.153 62.467 62.300 0.023 0.000 0.905 486 V CB 2.262 34.221 31.823 0.226 0.000 1.010 486 V HN 1.120 nan 8.190 nan 0.000 0.424 487 T N 7.920 122.482 114.554 0.014 0.000 2.733 487 T HA 0.611 4.962 4.350 0.002 0.000 0.294 487 T C -0.503 174.218 174.700 0.036 0.000 0.956 487 T CA -0.179 61.934 62.100 0.021 0.000 0.987 487 T CB -0.205 68.657 68.868 -0.011 0.000 0.920 487 T HN 0.525 nan 8.240 nan 0.000 0.470 488 I N 4.541 125.154 120.570 0.072 0.000 2.390 488 I HA 0.400 4.571 4.170 0.002 0.000 0.283 488 I C 1.129 177.314 176.117 0.113 0.000 1.016 488 I CA -0.816 60.533 61.300 0.082 0.000 1.151 488 I CB 1.379 39.434 38.000 0.091 0.000 1.293 488 I HN 0.894 nan 8.210 nan 0.000 0.458 489 G N 4.309 113.139 108.800 0.050 0.000 2.295 489 G HA2 -0.128 3.833 3.960 0.002 0.000 0.287 489 G HA3 -0.128 3.833 3.960 0.002 0.000 0.287 489 G C 0.994 175.804 174.900 -0.150 0.000 1.055 489 G CA 0.518 45.630 45.100 0.020 0.000 0.922 489 G HN 1.410 nan 8.290 nan 0.000 0.503 490 G N -1.465 107.247 108.800 -0.146 0.000 2.245 490 G HA2 -0.311 3.650 3.960 0.002 0.000 0.264 490 G HA3 -0.311 3.650 3.960 0.002 0.000 0.264 490 G C 0.387 175.115 174.900 -0.286 0.000 0.985 490 G CA 0.942 45.903 45.100 -0.231 0.000 0.625 490 G HN 1.318 nan 8.290 nan 0.000 0.536 491 H N -0.261 118.813 119.070 0.007 0.000 2.511 491 H HA 0.524 5.081 4.556 0.002 0.000 0.346 491 H C -0.080 175.256 175.328 0.014 0.000 1.128 491 H CA -0.081 55.973 56.048 0.011 0.000 1.342 491 H CB 1.774 31.543 29.762 0.013 0.000 1.470 491 H HN 0.084 nan 8.280 nan 0.000 0.546 492 V N 4.977 124.973 119.914 0.137 0.000 2.347 492 V HA 0.142 4.263 4.120 0.002 0.000 0.280 492 V C -0.163 175.987 176.094 0.093 0.000 1.021 492 V CA -0.578 61.773 62.300 0.085 0.000 0.847 492 V CB 1.041 32.895 31.823 0.051 0.000 0.990 492 V HN 0.376 nan 8.190 nan 0.000 0.444 493 L N 6.547 127.829 121.223 0.099 0.000 2.325 493 L HA 0.604 4.945 4.340 0.002 0.000 0.281 493 L C 0.297 177.259 176.870 0.154 0.000 1.004 493 L CA -0.068 54.834 54.840 0.103 0.000 0.823 493 L CB 1.612 43.725 42.059 0.091 0.000 1.236 493 L HN 0.538 nan 8.230 nan 0.000 0.415 494 R N 1.166 121.739 120.500 0.121 0.000 2.643 494 R HA 0.368 4.709 4.340 0.002 0.000 0.272 494 R C -0.265 176.122 176.300 0.145 0.000 0.995 494 R CA -1.006 55.190 56.100 0.159 0.000 1.032 494 R CB 1.143 31.499 30.300 0.093 0.000 1.126 494 R HN 0.556 nan 8.270 nan 0.000 0.505 495 E N 0.455 120.800 120.200 0.241 0.000 2.608 495 E HA -0.090 4.261 4.350 0.002 0.000 0.259 495 E C 0.448 177.017 176.600 -0.051 0.000 0.951 495 E CA 1.289 57.719 56.400 0.051 0.000 0.945 495 E CB 0.163 29.964 29.700 0.168 0.000 0.916 495 E HN 0.777 nan 8.360 nan 0.000 0.477 496 G N 3.651 112.317 108.800 -0.223 0.000 2.234 496 G HA2 -0.263 3.698 3.960 0.002 0.000 0.235 496 G HA3 -0.263 3.698 3.960 0.002 0.000 0.235 496 G C -0.054 174.681 174.900 -0.275 0.000 0.997 496 G CA 0.218 45.216 45.100 -0.170 0.000 0.623 496 G HN 0.612 nan 8.290 nan 0.000 0.514 497 E N -0.477 119.596 120.200 -0.213 0.000 2.349 497 E HA 0.403 4.754 4.350 0.002 0.000 0.265 497 E C -0.235 176.211 176.600 -0.257 0.000 1.064 497 E CA -0.741 55.567 56.400 -0.154 0.000 0.886 497 E CB 0.637 30.327 29.700 -0.017 0.000 1.036 497 E HN 0.356 nan 8.360 nan 0.000 0.413 498 W N 2.031 123.317 121.300 -0.023 0.000 2.218 498 W HA 0.334 4.995 4.660 0.002 0.000 0.326 498 W C -0.264 176.222 176.519 -0.055 0.000 1.276 498 W CA -0.171 57.153 57.345 -0.035 0.000 1.210 498 W CB 0.315 29.767 29.460 -0.013 0.000 1.143 498 W HN 0.251 nan 8.180 nan 0.000 0.563 499 L N 2.396 123.715 121.223 0.160 0.000 2.466 499 L HA 0.609 4.950 4.340 0.002 0.000 0.258 499 L C -0.615 176.301 176.870 0.077 0.000 0.973 499 L CA -0.442 54.433 54.840 0.058 0.000 0.826 499 L CB 2.183 44.228 42.059 -0.023 0.000 1.372 499 L HN 0.262 nan 8.230 nan 0.000 0.409 500 S N 3.735 119.444 115.700 0.014 0.000 2.532 500 S HA 0.865 5.336 4.470 0.002 0.000 0.301 500 S C -1.093 173.522 174.600 0.025 0.000 1.083 500 S CA -0.545 57.679 58.200 0.039 0.000 1.025 500 S CB 1.469 64.600 63.200 -0.116 0.000 1.056 500 S HN 0.527 nan 8.310 nan 0.000 0.494 501 L N 2.550 123.878 121.223 0.175 0.000 2.422 501 L HA 0.565 4.906 4.340 0.002 0.000 0.264 501 L C -0.674 176.363 176.870 0.277 0.000 0.984 501 L CA -0.761 54.156 54.840 0.128 0.000 0.819 501 L CB 1.896 43.985 42.059 0.050 0.000 1.330 501 L HN 0.493 nan 8.230 nan 0.000 0.410 502 N N 1.099 119.930 118.700 0.218 0.000 2.569 502 N HA 0.240 4.981 4.740 0.002 0.000 0.254 502 N C 0.606 176.175 175.510 0.098 0.000 1.004 502 N CA -0.164 53.051 53.050 0.275 0.000 0.904 502 N CB 2.143 40.864 38.487 0.389 0.000 1.165 502 N HN 0.822 nan 8.380 nan 0.000 0.513 503 G N 1.303 110.112 108.800 0.015 0.000 2.534 503 G HA2 -0.130 3.831 3.960 0.002 0.000 0.217 503 G HA3 -0.130 3.831 3.960 0.002 0.000 0.217 503 G C 1.089 175.977 174.900 -0.020 0.000 1.128 503 G CA 0.390 45.473 45.100 -0.029 0.000 0.784 503 G HN 0.532 nan 8.290 nan 0.000 0.542 504 S N -0.069 115.638 115.700 0.010 0.000 2.436 504 S HA -0.057 4.414 4.470 0.002 0.000 0.228 504 S C 2.505 177.133 174.600 0.046 0.000 1.014 504 S CA 1.618 59.832 58.200 0.024 0.000 0.950 504 S CB 0.005 63.233 63.200 0.046 0.000 0.784 504 S HN 0.671 nan 8.310 nan 0.000 0.504 505 T N -2.951 111.646 114.554 0.073 0.000 2.969 505 T HA 0.459 4.810 4.350 0.002 0.000 0.250 505 T C 1.465 176.199 174.700 0.057 0.000 1.021 505 T CA 0.830 62.975 62.100 0.075 0.000 1.003 505 T CB 0.411 69.348 68.868 0.115 0.000 1.040 505 T HN 0.498 nan 8.240 nan 0.000 0.492 506 G N 1.449 110.279 108.800 0.050 0.000 2.157 506 G HA2 -0.200 3.761 3.960 0.002 0.000 0.239 506 G HA3 -0.200 3.761 3.960 0.002 0.000 0.239 506 G C -0.288 174.633 174.900 0.034 0.000 0.982 506 G CA -0.067 45.051 45.100 0.031 0.000 0.650 506 G HN 0.658 nan 8.290 nan 0.000 0.527 507 E N -0.156 120.076 120.200 0.052 0.000 2.360 507 E HA 0.421 4.772 4.350 0.002 0.000 0.269 507 E C -0.070 176.517 176.600 -0.021 0.000 1.022 507 E CA -0.235 56.182 56.400 0.030 0.000 0.887 507 E CB 1.797 31.535 29.700 0.064 0.000 0.990 507 E HN 0.102 nan 8.360 nan 0.000 0.426 508 V N 5.632 125.524 119.914 -0.037 0.000 2.313 508 V HA 0.266 4.387 4.120 0.002 0.000 0.278 508 V C -0.183 175.845 176.094 -0.110 0.000 1.017 508 V CA -0.436 61.830 62.300 -0.055 0.000 0.823 508 V CB 0.411 32.224 31.823 -0.018 0.000 1.010 508 V HN 0.507 nan 8.190 nan 0.000 0.443 509 I N 5.421 125.870 120.570 -0.202 0.000 2.336 509 I HA 0.343 4.514 4.170 0.002 0.000 0.292 509 I C -0.140 175.869 176.117 -0.180 0.000 0.991 509 I CA -0.683 60.447 61.300 -0.283 0.000 1.227 509 I CB 1.534 39.156 38.000 -0.630 0.000 1.366 509 I HN 0.373 nan 8.210 nan 0.000 0.466 510 L N 6.372 127.510 121.223 -0.143 0.000 2.426 510 L HA 0.654 4.995 4.340 0.002 0.000 0.271 510 L C 0.652 177.479 176.870 -0.072 0.000 1.169 510 L CA 1.059 55.842 54.840 -0.096 0.000 0.836 510 L CB 0.329 42.310 42.059 -0.130 0.000 1.112 510 L HN 0.883 nan 8.230 nan 0.000 0.465 511 G N 3.802 112.602 108.800 -0.001 0.000 2.728 511 G HA2 -0.177 3.784 3.960 0.002 0.000 0.294 511 G HA3 -0.177 3.784 3.960 0.002 0.000 0.294 511 G C -0.932 173.988 174.900 0.032 0.000 1.342 511 G CA -0.088 45.030 45.100 0.029 0.000 0.866 511 G HN 1.015 nan 8.290 nan 0.000 0.534 512 K N 0.170 120.551 120.400 -0.032 0.000 2.354 512 K HA 0.590 4.911 4.320 0.002 0.000 0.257 512 K C 0.003 176.552 176.600 -0.086 0.000 1.062 512 K CA -0.930 55.313 56.287 -0.074 0.000 0.971 512 K CB 1.415 33.707 32.500 -0.346 0.000 1.305 512 K HN 0.443 nan 8.250 nan 0.000 0.449 513 Q N 2.916 122.683 119.800 -0.055 0.000 2.340 513 Q HA 0.234 4.575 4.340 0.002 0.000 0.249 513 Q C -2.209 173.847 176.000 0.093 0.000 0.957 513 Q CA -2.236 53.542 55.803 -0.041 0.000 0.882 513 Q CB 0.378 28.966 28.738 -0.250 0.000 1.235 513 Q HN 0.539 nan 8.270 nan 0.000 0.439 514 P HA 0.091 nan 4.420 nan 0.000 0.268 514 P C -0.373 177.054 177.300 0.213 0.000 1.204 514 P CA 0.263 63.429 63.100 0.110 0.000 0.768 514 P CB 0.593 32.335 31.700 0.070 0.000 0.842 515 L N 1.834 123.139 121.223 0.135 0.000 2.313 515 L HA 0.486 4.827 4.340 0.002 0.000 0.268 515 L C 0.176 177.074 176.870 0.046 0.000 1.010 515 L CA -0.609 54.289 54.840 0.097 0.000 0.814 515 L CB 1.776 43.859 42.059 0.040 0.000 1.304 515 L HN 0.302 nan 8.230 nan 0.000 0.441 516 S N 1.646 117.350 115.700 0.007 0.000 2.383 516 S HA 0.315 4.786 4.470 0.002 0.000 0.196 516 S C -2.557 172.031 174.600 -0.019 0.000 1.364 516 S CA -0.929 57.273 58.200 0.003 0.000 1.212 516 S CB 1.139 64.347 63.200 0.013 0.000 1.171 516 S HN 0.316 nan 8.310 nan 0.000 0.456 517 P HA 0.235 nan 4.420 nan 0.000 0.271 517 P C -2.744 174.560 177.300 0.006 0.000 1.233 517 P CA -1.326 61.771 63.100 -0.005 0.000 0.789 517 P CB -0.848 30.859 31.700 0.012 0.000 0.951 518 P HA 0.219 nan 4.420 nan 0.000 0.267 518 P C -0.924 176.398 177.300 0.038 0.000 1.209 518 P CA 0.434 63.556 63.100 0.037 0.000 0.763 518 P CB 0.069 31.821 31.700 0.087 0.000 0.816 519 A N 3.786 126.619 122.820 0.022 0.000 2.422 519 A HA 0.483 4.804 4.320 0.002 0.000 0.302 519 A C -1.016 176.573 177.584 0.008 0.000 1.041 519 A CA -0.764 51.282 52.037 0.016 0.000 0.708 519 A CB 1.189 20.194 19.000 0.008 0.000 1.257 519 A HN 0.489 nan 8.150 nan 0.000 0.414 520 L N 3.347 124.574 121.223 0.007 0.000 2.375 520 L HA 0.382 4.723 4.340 0.002 0.000 0.276 520 L C 0.892 177.756 176.870 -0.010 0.000 1.162 520 L CA 0.283 55.122 54.840 -0.001 0.000 0.991 520 L CB -0.468 41.589 42.059 -0.003 0.000 1.315 520 L HN 0.767 nan 8.230 nan 0.000 0.431 521 S N 1.996 117.688 115.700 -0.014 0.000 2.596 521 S HA 0.318 4.789 4.470 0.002 0.000 0.260 521 S C 1.459 176.042 174.600 -0.028 0.000 1.336 521 S CA -0.122 58.066 58.200 -0.020 0.000 0.993 521 S CB 0.923 64.107 63.200 -0.025 0.000 0.923 521 S HN 0.673 nan 8.310 nan 0.000 0.567 522 G N 0.390 109.173 108.800 -0.028 0.000 2.418 522 G HA2 -0.163 3.798 3.960 0.002 0.000 0.217 522 G HA3 -0.163 3.798 3.960 0.002 0.000 0.217 522 G C 0.929 175.795 174.900 -0.057 0.000 1.158 522 G CA 0.816 45.894 45.100 -0.037 0.000 0.771 522 G HN 0.760 nan 8.290 nan 0.000 0.545 523 D N 0.046 120.416 120.400 -0.049 0.000 2.144 523 D HA -0.069 4.572 4.640 0.002 0.000 0.200 523 D C 2.377 178.640 176.300 -0.062 0.000 0.978 523 D CA 0.443 54.406 54.000 -0.062 0.000 0.833 523 D CB -0.270 40.503 40.800 -0.044 0.000 0.961 523 D HN 0.236 nan 8.370 nan 0.000 0.470 524 L N 0.879 122.078 121.223 -0.039 0.000 2.093 524 L HA 0.031 4.373 4.340 0.002 0.000 0.208 524 L C 2.149 179.016 176.870 -0.006 0.000 1.085 524 L CA 1.810 56.651 54.840 0.002 0.000 0.755 524 L CB -0.846 41.210 42.059 -0.005 0.000 0.904 524 L HN 0.036 nan 8.230 nan 0.000 0.435 525 G N -1.939 106.829 108.800 -0.054 0.000 2.418 525 G HA2 -0.229 3.732 3.960 0.002 0.000 0.217 525 G HA3 -0.229 3.732 3.960 0.002 0.000 0.217 525 G C 1.421 176.215 174.900 -0.178 0.000 1.158 525 G CA 1.145 46.195 45.100 -0.084 0.000 0.771 525 G HN 0.426 nan 8.290 nan 0.000 0.545 526 T N 0.747 115.151 114.554 -0.248 0.000 2.737 526 T HA -0.093 4.258 4.350 0.002 0.000 0.265 526 T C 1.941 176.104 174.700 -0.894 0.000 1.038 526 T CA 1.071 62.863 62.100 -0.513 0.000 1.144 526 T CB -0.323 68.264 68.868 -0.469 0.000 0.866 526 T HN 0.211 nan 8.240 nan 0.000 0.434 527 F N 1.949 121.462 119.950 -0.728 0.000 2.069 527 F HA -0.144 4.384 4.527 0.002 0.000 0.298 527 F C 2.131 177.761 175.800 -0.282 0.000 1.113 527 F CA 1.321 58.993 58.000 -0.545 0.000 1.214 527 F CB -0.349 38.534 39.000 -0.196 0.000 0.978 527 F HN -0.014 nan 8.300 nan 0.000 0.474 528 M N 0.302 119.801 119.600 -0.168 0.000 2.279 528 M HA -0.101 4.380 4.480 0.002 0.000 0.264 528 M C 2.440 178.620 176.300 -0.198 0.000 1.062 528 M CA 1.395 56.606 55.300 -0.148 0.000 1.099 528 M CB -2.084 30.509 32.600 -0.010 0.000 1.394 528 M HN 0.340 nan 8.290 nan 0.000 0.426 529 A N -0.584 122.073 122.820 -0.271 0.000 1.930 529 A HA -0.155 4.166 4.320 0.002 0.000 0.217 529 A C 1.885 179.421 177.584 -0.080 0.000 1.175 529 A CA 1.074 53.000 52.037 -0.185 0.000 0.627 529 A CB -0.842 18.030 19.000 -0.213 0.000 0.815 529 A HN 0.568 nan 8.150 nan 0.000 0.443 530 W N -0.207 120.993 121.300 -0.167 0.000 2.388 530 W HA -0.035 4.627 4.660 0.002 0.000 0.294 530 W C 2.224 178.614 176.519 -0.215 0.000 1.212 530 W CA 0.706 57.940 57.345 -0.184 0.000 1.271 530 W CB -1.401 27.924 29.460 -0.225 0.000 1.126 530 W HN 0.170 nan 8.180 nan 0.000 0.535 531 V N 0.961 120.810 119.914 -0.109 0.000 2.295 531 V HA -0.278 3.843 4.120 0.002 0.000 0.246 531 V C 1.979 178.052 176.094 -0.035 0.000 1.049 531 V CA 2.288 64.514 62.300 -0.124 0.000 1.024 531 V CB -0.813 30.897 31.823 -0.189 0.000 0.648 531 V HN -0.025 nan 8.190 nan 0.000 0.447 532 D N -0.506 119.875 120.400 -0.032 0.000 2.219 532 D HA -0.165 4.476 4.640 0.002 0.000 0.205 532 D C 1.839 178.145 176.300 0.010 0.000 0.970 532 D CA 1.437 55.433 54.000 -0.006 0.000 0.851 532 D CB -0.197 40.596 40.800 -0.013 0.000 0.943 532 D HN 0.564 nan 8.370 nan 0.000 0.488 533 D N -0.311 120.105 120.400 0.026 0.000 2.149 533 D HA -0.092 4.549 4.640 0.002 0.000 0.201 533 D C 1.987 178.301 176.300 0.022 0.000 0.972 533 D CA 0.539 54.560 54.000 0.035 0.000 0.835 533 D CB 0.335 41.175 40.800 0.067 0.000 0.966 533 D HN -0.088 nan 8.370 nan 0.000 0.476 534 V N 1.141 121.067 119.914 0.019 0.000 2.407 534 V HA -0.056 4.065 4.120 0.002 0.000 0.245 534 V C 1.149 177.251 176.094 0.014 0.000 1.041 534 V CA 0.984 63.290 62.300 0.010 0.000 1.040 534 V CB -0.631 31.194 31.823 0.004 0.000 0.671 534 V HN 0.285 nan 8.190 nan 0.000 0.455 535 R N 0.927 121.438 120.500 0.018 0.000 2.643 535 R HA 0.108 4.449 4.340 0.002 0.000 0.270 535 R C 0.579 176.895 176.300 0.027 0.000 1.061 535 R CA -0.085 56.032 56.100 0.028 0.000 1.107 535 R CB 0.460 30.782 30.300 0.037 0.000 0.999 535 R HN 0.010 nan 8.270 nan 0.000 0.460 536 K N 2.385 122.804 120.400 0.032 0.000 2.287 536 K HA 0.204 4.525 4.320 0.002 0.000 0.199 536 K C 0.801 177.429 176.600 0.047 0.000 1.061 536 K CA 0.320 56.626 56.287 0.031 0.000 0.976 536 K CB 0.026 32.541 32.500 0.024 0.000 0.898 536 K HN 0.560 nan 8.250 nan 0.000 0.492 537 L N 2.479 123.739 121.223 0.062 0.000 2.485 537 L HA -0.001 4.340 4.340 0.002 0.000 0.275 537 L C 0.512 177.440 176.870 0.097 0.000 1.207 537 L CA 0.302 55.196 54.840 0.090 0.000 0.855 537 L CB 0.346 42.469 42.059 0.106 0.000 1.114 537 L HN -0.049 nan 8.230 nan 0.000 0.485 538 K N 1.926 122.404 120.400 0.131 0.000 2.098 538 K HA 0.510 4.831 4.320 0.002 0.000 0.261 538 K C -1.055 175.631 176.600 0.142 0.000 0.987 538 K CA -0.647 55.705 56.287 0.108 0.000 0.916 538 K CB 1.840 34.388 32.500 0.080 0.000 1.039 538 K HN 0.242 nan 8.250 nan 0.000 0.455 539 V N 4.426 124.394 119.914 0.090 0.000 2.407 539 V HA 0.271 4.392 4.120 0.002 0.000 0.291 539 V C -0.692 175.435 176.094 0.055 0.000 1.018 539 V CA -0.859 61.501 62.300 0.100 0.000 0.842 539 V CB 1.118 32.992 31.823 0.084 0.000 0.996 539 V HN 0.523 nan 8.190 nan 0.000 0.426 540 L N 3.551 124.815 121.223 0.068 0.000 2.335 540 L HA 0.966 5.307 4.340 0.002 0.000 0.268 540 L C 0.382 177.279 176.870 0.046 0.000 1.016 540 L CA -0.362 54.484 54.840 0.011 0.000 0.805 540 L CB 1.704 43.723 42.059 -0.066 0.000 1.311 540 L HN 0.747 nan 8.230 nan 0.000 0.456 541 A N 0.264 123.101 122.820 0.029 0.000 2.380 541 A HA 0.756 5.077 4.320 0.002 0.000 0.315 541 A C -1.039 176.581 177.584 0.059 0.000 1.101 541 A CA -0.684 51.382 52.037 0.048 0.000 0.771 541 A CB 0.817 19.834 19.000 0.028 0.000 1.287 541 A HN 0.654 nan 8.150 nan 0.000 0.436 542 N N 0.809 119.558 118.700 0.082 0.000 2.426 542 N HA 0.614 5.355 4.740 0.002 0.000 0.257 542 N C -0.656 174.917 175.510 0.105 0.000 1.002 542 N CA 0.161 53.266 53.050 0.092 0.000 0.942 542 N CB 1.571 40.122 38.487 0.106 0.000 1.112 542 N HN 0.894 nan 8.380 nan 0.000 0.499 543 A N 1.227 124.102 122.820 0.091 0.000 2.574 543 A HA 0.513 4.834 4.320 0.002 0.000 0.297 543 A C -0.667 176.966 177.584 0.082 0.000 1.062 543 A CA -0.672 51.424 52.037 0.098 0.000 0.686 543 A CB 1.322 20.363 19.000 0.068 0.000 1.285 543 A HN 0.476 nan 8.150 nan 0.000 0.403 544 D N 0.595 121.050 120.400 0.093 0.000 2.500 544 D HA 0.141 4.782 4.640 0.002 0.000 0.217 544 D C 0.484 176.779 176.300 -0.008 0.000 1.159 544 D CA 1.174 55.209 54.000 0.057 0.000 0.828 544 D CB 1.027 41.906 40.800 0.132 0.000 1.039 544 D HN 0.741 nan 8.370 nan 0.000 0.512 545 T N -2.511 112.037 114.554 -0.010 0.000 2.906 545 T HA 0.402 4.753 4.350 0.002 0.000 0.295 545 T C -2.360 172.317 174.700 -0.038 0.000 1.075 545 T CA -1.863 60.204 62.100 -0.055 0.000 1.005 545 T CB 2.997 71.816 68.868 -0.081 0.000 1.136 545 T HN -0.411 nan 8.240 nan 0.000 0.498 546 P HA -0.072 nan 4.420 nan 0.000 0.216 546 P C 0.964 178.258 177.300 -0.010 0.000 1.150 546 P CA 1.093 64.178 63.100 -0.026 0.000 0.843 546 P CB 0.053 31.736 31.700 -0.029 0.000 0.787 547 D N -0.629 119.761 120.400 -0.015 0.000 2.117 547 D HA -0.127 4.514 4.640 0.002 0.000 0.198 547 D C 1.453 177.760 176.300 0.013 0.000 0.982 547 D CA 1.100 55.101 54.000 0.002 0.000 0.828 547 D CB -0.610 40.191 40.800 0.002 0.000 0.967 547 D HN 0.155 nan 8.370 nan 0.000 0.464 548 D N 0.622 121.032 120.400 0.016 0.000 2.178 548 D HA -0.049 4.592 4.640 0.002 0.000 0.202 548 D C 2.002 178.312 176.300 0.017 0.000 0.974 548 D CA 0.802 54.824 54.000 0.037 0.000 0.841 548 D CB -0.193 40.652 40.800 0.076 0.000 0.953 548 D HN 0.107 nan 8.370 nan 0.000 0.478 549 A N 0.511 123.339 122.820 0.014 0.000 1.933 549 A HA -0.123 4.198 4.320 0.002 0.000 0.218 549 A C 2.132 179.717 177.584 0.001 0.000 1.175 549 A CA 0.842 52.887 52.037 0.014 0.000 0.628 549 A CB -0.589 18.424 19.000 0.021 0.000 0.814 549 A HN 0.202 nan 8.150 nan 0.000 0.444 550 L N -0.476 120.746 121.223 -0.001 0.000 2.056 550 L HA -0.078 4.263 4.340 0.002 0.000 0.207 550 L C 2.588 179.438 176.870 -0.032 0.000 1.078 550 L CA 2.526 57.363 54.840 -0.006 0.000 0.749 550 L CB -0.832 41.230 42.059 0.003 0.000 0.901 550 L HN 0.367 nan 8.230 nan 0.000 0.433 551 T N -0.429 114.098 114.554 -0.046 0.000 2.788 551 T HA -0.178 4.173 4.350 0.002 0.000 0.268 551 T C 1.883 176.472 174.700 -0.186 0.000 1.044 551 T CA 1.261 63.291 62.100 -0.118 0.000 1.139 551 T CB -0.432 68.369 68.868 -0.111 0.000 0.867 551 T HN 0.484 nan 8.240 nan 0.000 0.454 552 A N 1.448 124.196 122.820 -0.119 0.000 1.902 552 A HA -0.078 4.243 4.320 0.002 0.000 0.217 552 A C 2.301 179.838 177.584 -0.079 0.000 1.181 552 A CA 1.681 53.655 52.037 -0.104 0.000 0.623 552 A CB -0.542 18.435 19.000 -0.038 0.000 0.818 552 A HN 0.396 nan 8.150 nan 0.000 0.443 553 R N -0.238 120.231 120.500 -0.051 0.000 2.075 553 R HA -0.126 4.215 4.340 0.002 0.000 0.232 553 R C 1.578 177.851 176.300 -0.045 0.000 1.126 553 R CA 1.589 57.669 56.100 -0.033 0.000 0.963 553 R CB -0.254 30.039 30.300 -0.011 0.000 0.858 553 R HN 0.508 nan 8.270 nan 0.000 0.435 554 N N 0.834 119.499 118.700 -0.060 0.000 2.364 554 N HA -0.121 4.620 4.740 0.002 0.000 0.183 554 N C 0.480 175.945 175.510 -0.076 0.000 1.022 554 N CA 0.873 53.889 53.050 -0.058 0.000 0.883 554 N CB -0.221 38.233 38.487 -0.055 0.000 0.965 554 N HN 0.256 nan 8.380 nan 0.000 0.438 555 N N -0.127 118.502 118.700 -0.117 0.000 2.322 555 N HA 0.104 4.845 4.740 0.002 0.000 0.194 555 N C 0.876 176.352 175.510 -0.057 0.000 1.126 555 N CA 0.488 53.469 53.050 -0.115 0.000 0.845 555 N CB 0.545 38.902 38.487 -0.216 0.000 0.976 555 N HN 0.296 nan 8.380 nan 0.000 0.475 556 G N -0.157 108.617 108.800 -0.043 0.000 2.141 556 G HA2 -0.240 3.721 3.960 0.002 0.000 0.231 556 G HA3 -0.240 3.721 3.960 0.002 0.000 0.231 556 G C 0.277 175.168 174.900 -0.015 0.000 0.984 556 G CA 0.069 45.156 45.100 -0.022 0.000 0.660 556 G HN 0.577 nan 8.290 nan 0.000 0.525 557 A N -0.282 122.525 122.820 -0.021 0.000 2.498 557 A HA 0.581 4.902 4.320 0.002 0.000 0.239 557 A C 1.034 178.610 177.584 -0.013 0.000 1.068 557 A CA 0.943 52.973 52.037 -0.011 0.000 0.766 557 A CB 0.248 19.240 19.000 -0.013 0.000 1.003 557 A HN 0.539 nan 8.150 nan 0.000 0.497 558 Q N 0.726 120.515 119.800 -0.018 0.000 2.222 558 Q HA 0.390 4.731 4.340 0.002 0.000 0.206 558 Q C 0.645 176.616 176.000 -0.049 0.000 0.877 558 Q CA 0.484 56.268 55.803 -0.032 0.000 0.958 558 Q CB 0.375 29.089 28.738 -0.039 0.000 1.075 558 Q HN 1.156 nan 8.270 nan 0.000 0.483 559 G N 0.298 109.076 108.800 -0.036 0.000 2.362 559 G HA2 0.081 4.042 3.960 0.002 0.000 0.288 559 G HA3 0.081 4.042 3.960 0.002 0.000 0.288 559 G C -1.747 173.134 174.900 -0.032 0.000 1.305 559 G CA -1.108 43.972 45.100 -0.034 0.000 0.910 559 G HN 0.086 nan 8.290 nan 0.000 0.518 560 I N 1.773 122.327 120.570 -0.026 0.000 2.354 560 I HA 0.459 4.630 4.170 0.002 0.000 0.286 560 I C 1.401 177.486 176.117 -0.053 0.000 1.007 560 I CA -0.101 61.193 61.300 -0.010 0.000 1.167 560 I CB 1.813 39.831 38.000 0.029 0.000 1.320 560 I HN 0.777 nan 8.210 nan 0.000 0.458 561 G N 6.491 115.264 108.800 -0.045 0.000 2.683 561 G HA2 0.118 4.079 3.960 0.002 0.000 0.213 561 G HA3 0.118 4.079 3.960 0.002 0.000 0.213 561 G C 0.124 175.042 174.900 0.030 0.000 1.142 561 G CA 0.393 45.460 45.100 -0.055 0.000 0.793 561 G HN 0.386 nan 8.290 nan 0.000 0.534 562 L N 0.293 121.545 121.223 0.048 0.000 2.611 562 L HA 0.501 4.842 4.340 0.002 0.000 0.263 562 L C -1.235 175.667 176.870 0.053 0.000 0.969 562 L CA -1.122 53.756 54.840 0.064 0.000 0.894 562 L CB 1.271 43.379 42.059 0.082 0.000 1.229 562 L HN -0.070 nan 8.230 nan 0.000 0.416 563 C N 5.649 124.980 119.300 0.051 0.000 2.251 563 C HA 0.588 5.049 4.460 0.002 0.000 0.323 563 C C 0.426 175.436 174.990 0.034 0.000 1.241 563 C CA -0.543 58.507 59.018 0.052 0.000 1.601 563 C CB -0.040 27.745 27.740 0.075 0.000 2.251 563 C HN 0.864 nan 8.230 nan 0.000 0.488 564 R N 4.467 124.949 120.500 -0.029 0.000 2.248 564 R HA 0.172 4.513 4.340 0.002 0.000 0.337 564 R C 1.730 177.993 176.300 -0.062 0.000 1.085 564 R CA 0.386 56.418 56.100 -0.114 0.000 0.934 564 R CB 0.811 30.851 30.300 -0.433 0.000 1.034 564 R HN 0.969 nan 8.270 nan 0.000 0.465 565 T N -0.777 113.780 114.554 0.005 0.000 2.803 565 T HA -0.208 4.143 4.350 0.002 0.000 0.269 565 T C 1.626 176.286 174.700 -0.067 0.000 1.052 565 T CA 1.353 63.427 62.100 -0.044 0.000 1.136 565 T CB -0.006 68.901 68.868 0.065 0.000 0.864 565 T HN 0.600 nan 8.240 nan 0.000 0.467 566 E N 1.712 122.002 120.200 0.150 0.000 2.153 566 E HA -0.238 4.113 4.350 0.002 0.000 0.194 566 E C 1.907 178.753 176.600 0.411 0.000 0.988 566 E CA 1.500 58.131 56.400 0.384 0.000 0.811 566 E CB -1.048 28.922 29.700 0.451 0.000 0.746 566 E HN 0.795 nan 8.360 nan 0.000 0.466 567 H N 0.349 119.560 119.070 0.234 0.000 2.421 567 H HA 0.051 4.608 4.556 0.002 0.000 0.298 567 H C 2.268 177.648 175.328 0.087 0.000 1.087 567 H CA 1.282 57.488 56.048 0.262 0.000 1.330 567 H CB -0.015 29.843 29.762 0.159 0.000 1.388 567 H HN 0.145 nan 8.280 nan 0.000 0.526 568 M N -0.096 119.491 119.600 -0.022 0.000 2.213 568 M HA -0.149 4.332 4.480 0.002 0.000 0.263 568 M C 1.294 177.402 176.300 -0.319 0.000 1.062 568 M CA 1.358 56.490 55.300 -0.281 0.000 1.105 568 M CB -0.095 32.155 32.600 -0.583 0.000 1.385 568 M HN 0.191 nan 8.290 nan 0.000 0.417 569 F N -1.132 118.768 119.950 -0.083 0.000 2.512 569 F HA 0.011 4.539 4.527 0.002 0.000 0.296 569 F C 1.629 177.342 175.800 -0.145 0.000 1.110 569 F CA 0.664 58.540 58.000 -0.207 0.000 1.446 569 F CB -0.592 38.233 39.000 -0.292 0.000 1.092 569 F HN -0.022 nan 8.300 nan 0.000 0.554 570 F N -0.111 119.984 119.950 0.242 0.000 2.811 570 F HA 0.191 4.719 4.527 0.002 0.000 0.301 570 F C 2.225 178.045 175.800 0.034 0.000 1.151 570 F CA 0.196 58.280 58.000 0.141 0.000 1.412 570 F CB -1.135 37.924 39.000 0.098 0.000 1.113 570 F HN -0.052 nan 8.300 nan 0.000 0.579 571 A N -0.453 122.445 122.820 0.130 0.000 2.019 571 A HA -0.026 4.295 4.320 0.002 0.000 0.219 571 A C 1.231 178.808 177.584 -0.012 0.000 1.164 571 A CA 1.474 53.518 52.037 0.013 0.000 0.644 571 A CB -0.576 18.380 19.000 -0.074 0.000 0.805 571 A HN 0.313 nan 8.150 nan 0.000 0.449 572 S N -2.753 112.937 115.700 -0.017 0.000 2.570 572 S HA 0.418 4.889 4.470 0.002 0.000 0.270 572 S C -0.354 174.245 174.600 -0.002 0.000 1.149 572 S CA -0.307 57.879 58.200 -0.023 0.000 0.837 572 S CB 1.049 64.209 63.200 -0.065 0.000 1.124 572 S HN 0.109 nan 8.310 nan 0.000 0.465 573 D N 1.042 121.450 120.400 0.013 0.000 2.144 573 D HA -0.113 4.528 4.640 0.002 0.000 0.199 573 D C 1.519 177.822 176.300 0.005 0.000 0.984 573 D CA 1.481 55.497 54.000 0.027 0.000 0.834 573 D CB -0.071 40.746 40.800 0.029 0.000 0.955 573 D HN 0.825 nan 8.370 nan 0.000 0.465 574 E N 0.896 121.089 120.200 -0.012 0.000 2.051 574 E HA -0.165 4.186 4.350 0.002 0.000 0.192 574 E C 2.096 178.663 176.600 -0.055 0.000 0.991 574 E CA 0.747 57.147 56.400 -0.001 0.000 0.799 574 E CB 0.203 29.924 29.700 0.034 0.000 0.748 574 E HN 0.167 nan 8.360 nan 0.000 0.449 575 R N 0.084 120.456 120.500 -0.213 0.000 2.075 575 R HA -0.074 4.267 4.340 0.002 0.000 0.232 575 R C 2.510 178.718 176.300 -0.154 0.000 1.126 575 R CA 1.371 57.254 56.100 -0.361 0.000 0.963 575 R CB -0.276 29.746 30.300 -0.462 0.000 0.858 575 R HN 0.295 nan 8.270 nan 0.000 0.435 576 I N 1.077 121.609 120.570 -0.064 0.000 2.226 576 I HA -0.272 3.899 4.170 0.002 0.000 0.245 576 I C 2.142 178.232 176.117 -0.046 0.000 1.100 576 I CA 1.410 62.701 61.300 -0.015 0.000 1.374 576 I CB -0.249 37.820 38.000 0.114 0.000 1.057 576 I HN 0.126 nan 8.210 nan 0.000 0.413 577 K N 0.940 121.327 120.400 -0.022 0.000 2.097 577 K HA -0.148 4.173 4.320 0.002 0.000 0.206 577 K C 2.268 178.837 176.600 -0.051 0.000 1.049 577 K CA 1.458 57.734 56.287 -0.019 0.000 0.933 577 K CB -0.235 32.268 32.500 0.004 0.000 0.717 577 K HN 0.320 nan 8.250 nan 0.000 0.442 578 A N 1.000 123.789 122.820 -0.052 0.000 1.902 578 A HA -0.119 4.202 4.320 0.002 0.000 0.217 578 A C 2.348 179.815 177.584 -0.194 0.000 1.181 578 A CA 1.379 53.383 52.037 -0.054 0.000 0.623 578 A CB -0.583 18.475 19.000 0.097 0.000 0.818 578 A HN 0.070 nan 8.150 nan 0.000 0.443 579 V N 0.004 119.716 119.914 -0.337 0.000 2.343 579 V HA -0.262 3.859 4.120 0.002 0.000 0.247 579 V C 2.592 178.473 176.094 -0.355 0.000 1.051 579 V CA 2.188 64.155 62.300 -0.554 0.000 1.036 579 V CB -0.862 30.394 31.823 -0.945 0.000 0.654 579 V HN 0.520 nan 8.190 nan 0.000 0.451 580 R N -0.275 120.103 120.500 -0.204 0.000 2.096 580 R HA -0.188 4.154 4.340 0.002 0.000 0.235 580 R C 2.432 178.670 176.300 -0.103 0.000 1.127 580 R CA 1.555 57.591 56.100 -0.107 0.000 0.968 580 R CB -0.315 29.964 30.300 -0.035 0.000 0.861 580 R HN 0.611 nan 8.270 nan 0.000 0.440 581 Q N 0.212 119.950 119.800 -0.105 0.000 2.084 581 Q HA -0.164 4.177 4.340 0.002 0.000 0.202 581 Q C 2.177 178.112 176.000 -0.110 0.000 0.978 581 Q CA 1.625 57.378 55.803 -0.084 0.000 0.844 581 Q CB -0.121 28.576 28.738 -0.068 0.000 0.898 581 Q HN 0.348 nan 8.270 nan 0.000 0.426 582 M N 0.474 119.978 119.600 -0.159 0.000 2.086 582 M HA -0.195 4.286 4.480 0.002 0.000 0.261 582 M C 1.887 178.079 176.300 -0.180 0.000 1.067 582 M CA 1.649 56.840 55.300 -0.182 0.000 1.116 582 M CB -0.045 32.402 32.600 -0.255 0.000 1.348 582 M HN 0.206 nan 8.290 nan 0.000 0.407 583 I N 0.287 120.744 120.570 -0.189 0.000 2.286 583 I HA -0.290 3.881 4.170 0.002 0.000 0.248 583 I C 1.903 177.961 176.117 -0.099 0.000 1.115 583 I CA 0.951 62.157 61.300 -0.157 0.000 1.392 583 I CB -0.223 37.703 38.000 -0.124 0.000 1.065 583 I HN 0.419 nan 8.210 nan 0.000 0.418 584 M N 0.240 119.794 119.600 -0.076 0.000 2.441 584 M HA 0.240 4.721 4.480 0.002 0.000 0.244 584 M C 1.047 177.321 176.300 -0.044 0.000 1.122 584 M CA -0.103 55.170 55.300 -0.046 0.000 1.041 584 M CB -0.968 31.614 32.600 -0.030 0.000 1.438 584 M HN 0.064 nan 8.290 nan 0.000 0.484 585 A N 3.536 126.319 122.820 -0.060 0.000 2.573 585 A HA 0.101 4.422 4.320 0.002 0.000 0.250 585 A C -0.924 176.639 177.584 -0.034 0.000 1.049 585 A CA -0.401 51.606 52.037 -0.050 0.000 0.767 585 A CB -0.535 18.427 19.000 -0.063 0.000 0.965 585 A HN 0.287 nan 8.150 nan 0.000 0.514 586 P HA 0.036 nan 4.420 nan 0.000 0.240 586 P C 0.386 177.683 177.300 -0.006 0.000 1.190 586 P CA 1.273 64.367 63.100 -0.010 0.000 0.781 586 P CB 0.083 31.779 31.700 -0.007 0.000 0.931 587 T N -3.959 110.589 114.554 -0.010 0.000 2.883 587 T HA 0.406 4.757 4.350 0.002 0.000 0.296 587 T C 0.934 175.630 174.700 -0.008 0.000 1.117 587 T CA -0.789 61.308 62.100 -0.004 0.000 1.006 587 T CB 1.068 69.934 68.868 -0.004 0.000 1.191 587 T HN -0.208 nan 8.240 nan 0.000 0.508 588 L N 0.486 121.710 121.223 0.001 0.000 2.201 588 L HA 0.039 4.380 4.340 0.002 0.000 0.212 588 L C 2.861 179.727 176.870 -0.007 0.000 1.105 588 L CA 1.376 56.216 54.840 0.001 0.000 0.775 588 L CB -0.371 41.696 42.059 0.015 0.000 0.913 588 L HN 0.870 nan 8.230 nan 0.000 0.440 589 E N 0.737 120.932 120.200 -0.007 0.000 2.107 589 E HA -0.177 4.174 4.350 0.002 0.000 0.191 589 E C 2.284 178.872 176.600 -0.019 0.000 0.982 589 E CA 0.856 57.250 56.400 -0.011 0.000 0.809 589 E CB 0.110 29.805 29.700 -0.008 0.000 0.756 589 E HN 0.503 nan 8.360 nan 0.000 0.459 590 L N 0.364 121.574 121.223 -0.022 0.000 2.240 590 L HA -0.019 4.322 4.340 0.002 0.000 0.211 590 L C 2.845 179.689 176.870 -0.042 0.000 1.106 590 L CA 0.476 55.298 54.840 -0.030 0.000 0.793 590 L CB -0.365 41.677 42.059 -0.027 0.000 0.927 590 L HN 0.113 nan 8.230 nan 0.000 0.446 591 R N 0.374 120.848 120.500 -0.043 0.000 2.075 591 R HA -0.210 4.131 4.340 0.002 0.000 0.232 591 R C 2.262 178.526 176.300 -0.060 0.000 1.126 591 R CA 1.507 57.569 56.100 -0.062 0.000 0.963 591 R CB 0.008 30.273 30.300 -0.060 0.000 0.858 591 R HN 0.195 nan 8.270 nan 0.000 0.435 592 Q N 0.762 120.538 119.800 -0.039 0.000 2.172 592 Q HA -0.167 4.174 4.340 0.002 0.000 0.200 592 Q C 1.903 177.879 176.000 -0.039 0.000 0.964 592 Q CA 1.749 57.532 55.803 -0.033 0.000 0.855 592 Q CB -0.063 28.664 28.738 -0.018 0.000 0.918 592 Q HN 0.453 nan 8.270 nan 0.000 0.444 593 Q N -1.126 118.650 119.800 -0.040 0.000 2.119 593 Q HA -0.117 4.224 4.340 0.002 0.000 0.201 593 Q C 1.735 177.702 176.000 -0.054 0.000 0.972 593 Q CA 1.444 57.222 55.803 -0.042 0.000 0.847 593 Q CB -0.208 28.508 28.738 -0.036 0.000 0.903 593 Q HN 0.446 nan 8.270 nan 0.000 0.433 594 A N 0.395 123.176 122.820 -0.064 0.000 1.897 594 A HA -0.125 4.196 4.320 0.002 0.000 0.215 594 A C 1.933 179.462 177.584 -0.093 0.000 1.181 594 A CA 0.912 52.901 52.037 -0.081 0.000 0.620 594 A CB -0.592 18.348 19.000 -0.099 0.000 0.821 594 A HN 0.442 nan 8.150 nan 0.000 0.443 595 L N 0.348 121.517 121.223 -0.090 0.000 2.046 595 L HA -0.176 4.165 4.340 0.002 0.000 0.208 595 L C 1.670 178.509 176.870 -0.051 0.000 1.077 595 L CA 2.265 57.055 54.840 -0.083 0.000 0.747 595 L CB -0.790 41.230 42.059 -0.065 0.000 0.896 595 L HN 0.345 nan 8.230 nan 0.000 0.432 596 D N -0.861 119.511 120.400 -0.047 0.000 2.123 596 D HA -0.183 4.458 4.640 0.002 0.000 0.196 596 D C 2.357 178.614 176.300 -0.071 0.000 0.992 596 D CA 1.073 55.046 54.000 -0.045 0.000 0.833 596 D CB -0.102 40.671 40.800 -0.045 0.000 0.954 596 D HN 0.286 nan 8.370 nan 0.000 0.455 597 R N -0.037 120.408 120.500 -0.092 0.000 2.096 597 R HA -0.022 4.319 4.340 0.002 0.000 0.235 597 R C 2.401 178.616 176.300 -0.141 0.000 1.127 597 R CA 0.581 56.582 56.100 -0.164 0.000 0.968 597 R CB -0.265 29.961 30.300 -0.123 0.000 0.861 597 R HN 0.255 nan 8.270 nan 0.000 0.440 598 L N 0.580 121.807 121.223 0.007 0.000 2.201 598 L HA -0.158 4.183 4.340 0.002 0.000 0.212 598 L C 2.431 179.408 176.870 0.178 0.000 1.105 598 L CA 0.738 55.690 54.840 0.185 0.000 0.775 598 L CB -0.397 41.673 42.059 0.019 0.000 0.913 598 L HN 0.280 nan 8.230 nan 0.000 0.440 599 L N 0.538 121.793 121.223 0.054 0.000 1.989 599 L HA -0.149 4.192 4.340 0.002 0.000 0.211 599 L C -0.124 176.754 176.870 0.013 0.000 1.071 599 L CA 1.827 56.696 54.840 0.049 0.000 0.749 599 L CB -1.273 40.795 42.059 0.016 0.000 0.890 599 L HN 0.208 nan 8.230 nan 0.000 0.431 600 P HA -0.188 nan 4.420 nan 0.000 0.215 600 P C 1.201 178.455 177.300 -0.077 0.000 1.157 600 P CA 1.532 64.561 63.100 -0.117 0.000 0.868 600 P CB -0.213 31.346 31.700 -0.236 0.000 0.788 601 Y N 0.610 120.890 120.300 -0.033 0.000 2.081 601 Y HA -0.214 4.337 4.550 0.002 0.000 0.280 601 Y C 2.793 178.565 175.900 -0.214 0.000 1.163 601 Y CA 1.234 59.285 58.100 -0.081 0.000 1.135 601 Y CB -1.613 36.849 38.460 0.004 0.000 0.970 601 Y HN 0.016 nan 8.280 nan 0.000 0.498 602 Q N -0.142 119.641 119.800 -0.028 0.000 2.020 602 Q HA -0.229 4.112 4.340 0.002 0.000 0.202 602 Q C 2.474 178.254 176.000 -0.366 0.000 0.982 602 Q CA 1.524 57.111 55.803 -0.360 0.000 0.838 602 Q CB -0.546 28.164 28.738 -0.047 0.000 0.899 602 Q HN 0.473 nan 8.270 nan 0.000 0.423 603 R N 0.309 120.796 120.500 -0.021 0.000 2.091 603 R HA -0.142 4.199 4.340 0.002 0.000 0.238 603 R C 2.462 178.762 176.300 -0.001 0.000 1.136 603 R CA 1.657 57.810 56.100 0.087 0.000 0.959 603 R CB -0.224 30.125 30.300 0.082 0.000 0.856 603 R HN 0.154 nan 8.270 nan 0.000 0.437 604 S N 0.369 116.034 115.700 -0.060 0.000 2.355 604 S HA -0.134 4.337 4.470 0.002 0.000 0.222 604 S C 1.321 175.845 174.600 -0.127 0.000 1.031 604 S CA 1.613 59.778 58.200 -0.058 0.000 0.993 604 S CB -0.209 62.973 63.200 -0.030 0.000 0.859 604 S HN 0.385 nan 8.310 nan 0.000 0.453 605 D N 0.532 120.773 120.400 -0.266 0.000 2.117 605 D HA -0.047 4.594 4.640 0.002 0.000 0.198 605 D C 1.649 177.730 176.300 -0.365 0.000 0.982 605 D CA 1.004 54.795 54.000 -0.349 0.000 0.828 605 D CB -0.503 39.992 40.800 -0.508 0.000 0.967 605 D HN 0.453 nan 8.370 nan 0.000 0.464 606 F N 1.613 121.389 119.950 -0.291 0.000 2.171 606 F HA -0.050 4.478 4.527 0.002 0.000 0.300 606 F C 2.430 177.892 175.800 -0.563 0.000 1.090 606 F CA 0.570 58.212 58.000 -0.598 0.000 1.293 606 F CB -0.786 37.825 39.000 -0.648 0.000 1.013 606 F HN -0.028 nan 8.300 nan 0.000 0.486 607 E N -0.051 120.134 120.200 -0.025 0.000 2.058 607 E HA -0.171 4.180 4.350 0.002 0.000 0.194 607 E C 2.622 179.255 176.600 0.054 0.000 0.997 607 E CA 1.119 57.578 56.400 0.099 0.000 0.801 607 E CB -0.666 29.089 29.700 0.092 0.000 0.746 607 E HN 0.451 nan 8.360 nan 0.000 0.450 608 G N 0.929 109.718 108.800 -0.020 0.000 2.402 608 G HA2 -0.221 3.740 3.960 0.002 0.000 0.216 608 G HA3 -0.221 3.740 3.960 0.002 0.000 0.216 608 G C 1.581 176.475 174.900 -0.010 0.000 1.162 608 G CA 0.499 45.591 45.100 -0.014 0.000 0.777 608 G HN 0.121 nan 8.290 nan 0.000 0.539 609 I N -0.078 120.448 120.570 -0.073 0.000 2.226 609 I HA -0.106 4.065 4.170 0.002 0.000 0.245 609 I C 2.393 178.549 176.117 0.064 0.000 1.100 609 I CA 0.744 62.013 61.300 -0.053 0.000 1.374 609 I CB -0.233 37.692 38.000 -0.124 0.000 1.057 609 I HN 0.024 nan 8.210 nan 0.000 0.413 610 F N 0.897 120.885 119.950 0.064 0.000 2.171 610 F HA -0.162 4.366 4.527 0.002 0.000 0.300 610 F C 2.674 178.484 175.800 0.018 0.000 1.090 610 F CA 1.187 59.207 58.000 0.034 0.000 1.293 610 F CB -1.027 37.990 39.000 0.027 0.000 1.013 610 F HN -0.038 nan 8.300 nan 0.000 0.486 611 R N 0.240 120.862 120.500 0.202 0.000 2.081 611 R HA -0.117 4.224 4.340 0.002 0.000 0.235 611 R C 2.324 178.674 176.300 0.083 0.000 1.131 611 R CA 1.386 57.553 56.100 0.112 0.000 0.960 611 R CB -0.454 29.893 30.300 0.077 0.000 0.856 611 R HN 0.198 nan 8.270 nan 0.000 0.436 612 A N -0.095 122.770 122.820 0.076 0.000 1.969 612 A HA -0.058 4.263 4.320 0.002 0.000 0.218 612 A C 1.609 179.232 177.584 0.065 0.000 1.169 612 A CA 1.002 53.072 52.037 0.055 0.000 0.635 612 A CB 0.009 19.032 19.000 0.038 0.000 0.810 612 A HN 0.235 nan 8.150 nan 0.000 0.445 613 M N 0.713 120.373 119.600 0.099 0.000 2.493 613 M HA 0.125 4.606 4.480 0.002 0.000 0.244 613 M C -0.226 176.137 176.300 0.105 0.000 1.182 613 M CA -0.786 54.575 55.300 0.102 0.000 0.981 613 M CB -1.042 31.638 32.600 0.133 0.000 1.551 613 M HN 0.258 nan 8.290 nan 0.000 0.476 614 D N 2.004 122.455 120.400 0.085 0.000 3.061 614 D HA 0.017 4.658 4.640 0.002 0.000 0.226 614 D C 1.379 177.728 176.300 0.082 0.000 1.168 614 D CA 2.082 56.118 54.000 0.060 0.000 0.822 614 D CB 0.270 41.095 40.800 0.043 0.000 1.152 614 D HN 0.734 nan 8.370 nan 0.000 0.555 615 G N 2.631 111.503 108.800 0.120 0.000 2.213 615 G HA2 -0.211 3.750 3.960 0.002 0.000 0.226 615 G HA3 -0.211 3.750 3.960 0.002 0.000 0.226 615 G C 0.277 175.363 174.900 0.309 0.000 0.992 615 G CA 0.254 45.496 45.100 0.238 0.000 0.632 615 G HN 0.529 nan 8.290 nan 0.000 0.511 616 L N 1.870 123.243 121.223 0.250 0.000 2.341 616 L HA 0.593 4.934 4.340 0.002 0.000 0.267 616 L C -1.993 175.012 176.870 0.225 0.000 1.009 616 L CA -2.621 52.322 54.840 0.172 0.000 0.819 616 L CB 2.225 44.327 42.059 0.072 0.000 1.323 616 L HN -0.099 nan 8.230 nan 0.000 0.425 617 P HA 0.082 nan 4.420 nan 0.000 0.268 617 P C -1.020 176.315 177.300 0.058 0.000 1.205 617 P CA -0.094 63.060 63.100 0.090 0.000 0.771 617 P CB 1.463 33.116 31.700 -0.078 0.000 0.858 618 V N 3.447 123.422 119.914 0.102 0.000 2.447 618 V HA 0.215 4.336 4.120 0.002 0.000 0.292 618 V C 0.115 176.255 176.094 0.076 0.000 1.021 618 V CA -0.318 62.054 62.300 0.121 0.000 0.850 618 V CB 1.815 33.816 31.823 0.296 0.000 1.005 618 V HN 0.507 nan 8.190 nan 0.000 0.426 619 T N 6.619 121.169 114.554 -0.007 0.000 2.733 619 T HA 0.606 4.957 4.350 0.002 0.000 0.294 619 T C -0.096 174.623 174.700 0.031 0.000 0.956 619 T CA -0.019 62.066 62.100 -0.025 0.000 0.987 619 T CB 0.488 69.270 68.868 -0.145 0.000 0.920 619 T HN 0.382 nan 8.240 nan 0.000 0.470 620 I N 3.284 123.873 120.570 0.032 0.000 2.321 620 I HA 0.402 4.573 4.170 0.002 0.000 0.291 620 I C 0.620 176.771 176.117 0.057 0.000 0.998 620 I CA -0.773 60.534 61.300 0.012 0.000 1.227 620 I CB 1.206 39.110 38.000 -0.159 0.000 1.368 620 I HN 0.329 nan 8.210 nan 0.000 0.466 621 R N 6.508 127.054 120.500 0.077 0.000 2.349 621 R HA 0.535 4.876 4.340 0.002 0.000 0.299 621 R C -0.606 175.743 176.300 0.082 0.000 1.027 621 R CA -0.614 55.539 56.100 0.090 0.000 0.958 621 R CB 0.894 31.244 30.300 0.083 0.000 1.047 621 R HN 0.594 nan 8.270 nan 0.000 0.468 622 L N 3.496 124.769 121.223 0.083 0.000 2.476 622 L HA 0.085 4.426 4.340 0.002 0.000 0.264 622 L C 0.413 177.347 176.870 0.106 0.000 1.224 622 L CA -0.645 54.250 54.840 0.091 0.000 0.821 622 L CB 0.132 42.240 42.059 0.081 0.000 1.101 622 L HN 0.571 nan 8.230 nan 0.000 0.488 623 L N 1.688 122.990 121.223 0.132 0.000 2.776 623 L HA -0.199 4.142 4.340 0.002 0.000 0.283 623 L C 0.606 177.549 176.870 0.120 0.000 1.194 623 L CA 1.021 55.956 54.840 0.158 0.000 0.947 623 L CB -0.191 41.953 42.059 0.142 0.000 1.255 623 L HN 0.648 nan 8.230 nan 0.000 0.481 624 D N 4.818 125.294 120.400 0.127 0.000 2.414 624 D HA 0.155 4.796 4.640 0.002 0.000 0.237 624 D C -2.038 174.309 176.300 0.079 0.000 0.975 624 D CA 0.197 54.252 54.000 0.091 0.000 0.917 624 D CB -0.100 40.743 40.800 0.073 0.000 1.061 624 D HN 0.462 nan 8.370 nan 0.000 0.480 625 P HA 0.187 nan 4.420 nan 0.000 0.272 625 P C -2.642 174.643 177.300 -0.024 0.000 1.230 625 P CA -1.096 62.015 63.100 0.018 0.000 0.788 625 P CB 0.186 31.866 31.700 -0.033 0.000 0.949 626 P HA 0.122 nan 4.420 nan 0.000 0.269 626 P C 1.077 178.222 177.300 -0.259 0.000 1.215 626 P CA 0.012 62.972 63.100 -0.233 0.000 0.780 626 P CB 0.451 31.910 31.700 -0.401 0.000 0.898 627 L N 1.328 122.474 121.223 -0.129 0.000 2.191 627 L HA -0.215 4.126 4.340 0.002 0.000 0.212 627 L C 2.258 179.183 176.870 0.091 0.000 1.103 627 L CA 1.561 56.439 54.840 0.063 0.000 0.769 627 L CB -1.103 40.952 42.059 -0.006 0.000 0.908 627 L HN 0.602 nan 8.230 nan 0.000 0.438 628 H N -1.853 117.289 119.070 0.120 0.000 2.521 628 H HA -0.072 4.485 4.556 0.002 0.000 0.286 628 H C 1.757 177.132 175.328 0.079 0.000 1.034 628 H CA 0.571 56.678 56.048 0.098 0.000 1.278 628 H CB -0.458 29.348 29.762 0.073 0.000 1.386 628 H HN 0.337 nan 8.280 nan 0.000 0.567 629 E N -0.102 120.034 120.200 -0.107 0.000 2.338 629 E HA -0.091 4.260 4.350 0.002 0.000 0.197 629 E C 0.345 176.927 176.600 -0.030 0.000 1.007 629 E CA 0.568 56.923 56.400 -0.075 0.000 0.849 629 E CB -0.037 29.528 29.700 -0.225 0.000 0.774 629 E HN 0.540 nan 8.360 nan 0.000 0.506 630 F N 0.241 120.284 119.950 0.154 0.000 2.765 630 F HA 0.148 4.676 4.527 0.002 0.000 0.302 630 F C 0.778 176.634 175.800 0.094 0.000 1.111 630 F CA 0.110 58.179 58.000 0.115 0.000 1.359 630 F CB 0.214 39.160 39.000 -0.090 0.000 1.097 630 F HN -0.160 nan 8.300 nan 0.000 0.577 631 L N 2.140 123.501 121.223 0.230 0.000 2.399 631 L HA 0.307 4.648 4.340 0.002 0.000 0.266 631 L C -1.802 175.145 176.870 0.129 0.000 1.114 631 L CA -2.133 52.803 54.840 0.159 0.000 0.804 631 L CB 0.274 42.416 42.059 0.139 0.000 1.146 631 L HN -0.196 nan 8.230 nan 0.000 0.451 632 P HA 0.115 nan 4.420 nan 0.000 0.272 632 P C -1.026 176.306 177.300 0.053 0.000 1.230 632 P CA -0.267 62.875 63.100 0.071 0.000 0.788 632 P CB 0.823 32.555 31.700 0.054 0.000 0.949 633 E N -0.486 119.734 120.200 0.034 0.000 2.232 633 E HA 0.647 4.998 4.350 0.002 0.000 0.264 633 E C 0.237 176.842 176.600 0.008 0.000 0.973 633 E CA -0.727 55.683 56.400 0.017 0.000 0.849 633 E CB 1.321 31.022 29.700 0.002 0.000 1.198 633 E HN 0.792 nan 8.360 nan 0.000 0.407 634 G N -0.376 108.424 108.800 0.001 0.000 2.318 634 G HA2 0.032 3.993 3.960 0.002 0.000 0.367 634 G HA3 0.032 3.993 3.960 0.002 0.000 0.367 634 G C -0.571 174.328 174.900 -0.001 0.000 1.260 634 G CA -0.538 44.560 45.100 -0.003 0.000 1.055 634 G HN 0.775 nan 8.290 nan 0.000 0.484 635 N N -0.904 117.795 118.700 -0.002 0.000 2.454 635 N HA 0.435 5.176 4.740 0.002 0.000 0.254 635 N C 1.668 177.179 175.510 0.002 0.000 1.228 635 N CA 0.682 53.731 53.050 -0.001 0.000 0.900 635 N CB 0.670 39.155 38.487 -0.002 0.000 1.089 635 N HN 1.635 nan 8.380 nan 0.000 0.449 636 I N 0.429 121.000 120.570 0.002 0.000 2.315 636 I HA -0.206 3.965 4.170 0.002 0.000 0.251 636 I C 1.929 178.050 176.117 0.007 0.000 1.125 636 I CA 1.788 63.092 61.300 0.005 0.000 1.392 636 I CB -0.156 37.846 38.000 0.004 0.000 1.065 636 I HN 0.785 nan 8.210 nan 0.000 0.424 637 E N 0.654 120.857 120.200 0.005 0.000 2.051 637 E HA -0.206 4.145 4.350 0.002 0.000 0.192 637 E C 1.925 178.530 176.600 0.007 0.000 0.991 637 E CA 1.709 58.112 56.400 0.005 0.000 0.799 637 E CB -0.382 29.320 29.700 0.003 0.000 0.748 637 E HN 0.544 nan 8.360 nan 0.000 0.449 638 D N -0.056 120.348 120.400 0.006 0.000 2.183 638 D HA -0.069 4.572 4.640 0.002 0.000 0.203 638 D C 2.011 178.319 176.300 0.012 0.000 0.969 638 D CA 0.652 54.657 54.000 0.008 0.000 0.842 638 D CB -0.081 40.723 40.800 0.006 0.000 0.957 638 D HN 0.219 nan 8.370 nan 0.000 0.484 639 I N 0.677 121.255 120.570 0.014 0.000 2.226 639 I HA -0.214 3.957 4.170 0.002 0.000 0.245 639 I C 2.426 178.556 176.117 0.021 0.000 1.100 639 I CA 0.615 61.928 61.300 0.021 0.000 1.374 639 I CB -0.162 37.853 38.000 0.024 0.000 1.057 639 I HN -0.121 nan 8.210 nan 0.000 0.413 640 V N 0.280 120.204 119.914 0.016 0.000 2.270 640 V HA -0.257 3.864 4.120 0.002 0.000 0.245 640 V C 2.550 178.651 176.094 0.013 0.000 1.043 640 V CA 2.165 64.474 62.300 0.015 0.000 1.014 640 V CB -0.674 31.156 31.823 0.012 0.000 0.645 640 V HN 0.369 nan 8.190 nan 0.000 0.447 641 S N -0.330 115.376 115.700 0.011 0.000 2.365 641 S HA -0.323 4.148 4.470 0.002 0.000 0.225 641 S C 2.019 176.625 174.600 0.011 0.000 1.039 641 S CA 2.131 60.336 58.200 0.009 0.000 1.033 641 S CB -0.384 62.821 63.200 0.008 0.000 0.887 641 S HN 0.772 nan 8.310 nan 0.000 0.447 642 E N 0.444 120.652 120.200 0.014 0.000 2.110 642 E HA -0.141 4.210 4.350 0.002 0.000 0.193 642 E C 2.007 178.617 176.600 0.016 0.000 0.988 642 E CA 0.769 57.179 56.400 0.016 0.000 0.804 642 E CB -0.152 29.561 29.700 0.020 0.000 0.745 642 E HN 0.261 nan 8.360 nan 0.000 0.458 643 L N 0.418 121.651 121.223 0.017 0.000 2.093 643 L HA -0.141 4.200 4.340 0.002 0.000 0.208 643 L C 2.221 179.096 176.870 0.008 0.000 1.085 643 L CA 1.359 56.209 54.840 0.015 0.000 0.755 643 L CB -0.537 41.533 42.059 0.019 0.000 0.904 643 L HN 0.379 nan 8.230 nan 0.000 0.435 644 C N -1.286 118.019 119.300 0.008 0.000 2.446 644 C HA -0.065 4.396 4.460 0.002 0.000 0.277 644 C C 2.958 177.950 174.990 0.004 0.000 1.275 644 C CA 0.526 59.547 59.018 0.005 0.000 1.727 644 C CB -1.454 26.289 27.740 0.006 0.000 2.010 644 C HN 0.654 nan 8.230 nan 0.000 0.486 645 A N 0.750 123.573 122.820 0.006 0.000 1.933 645 A HA -0.199 4.122 4.320 0.002 0.000 0.218 645 A C 1.971 179.557 177.584 0.005 0.000 1.175 645 A CA 1.709 53.749 52.037 0.006 0.000 0.628 645 A CB -0.501 18.503 19.000 0.007 0.000 0.814 645 A HN 0.750 nan 8.150 nan 0.000 0.444 646 E N -1.160 119.043 120.200 0.005 0.000 2.299 646 E HA -0.056 4.295 4.350 0.002 0.000 0.193 646 E C 1.820 178.418 176.600 -0.003 0.000 0.998 646 E CA 1.304 57.706 56.400 0.004 0.000 0.851 646 E CB -0.002 29.702 29.700 0.007 0.000 0.795 646 E HN 0.826 nan 8.360 nan 0.000 0.492 647 T N -4.537 110.014 114.554 -0.005 0.000 2.955 647 T HA 0.343 4.694 4.350 0.002 0.000 0.251 647 T C 1.554 176.248 174.700 -0.011 0.000 1.002 647 T CA 0.434 62.526 62.100 -0.012 0.000 0.970 647 T CB 1.073 69.931 68.868 -0.017 0.000 1.091 647 T HN 0.214 nan 8.240 nan 0.000 0.495 648 G N 1.596 110.393 108.800 -0.006 0.000 2.195 648 G HA2 0.038 3.999 3.960 0.002 0.000 0.224 648 G HA3 0.038 3.999 3.960 0.002 0.000 0.224 648 G C 0.400 175.298 174.900 -0.004 0.000 0.990 648 G CA -0.088 45.010 45.100 -0.005 0.000 0.639 648 G HN 1.169 nan 8.290 nan 0.000 0.514 649 A N 0.316 123.134 122.820 -0.004 0.000 2.466 649 A HA 0.574 4.895 4.320 0.002 0.000 0.238 649 A C 0.665 178.250 177.584 0.002 0.000 1.074 649 A CA 0.798 52.835 52.037 -0.001 0.000 0.774 649 A CB 0.031 19.031 19.000 -0.001 0.000 1.015 649 A HN 1.466 nan 8.150 nan 0.000 0.498 650 N N 0.089 118.791 118.700 0.003 0.000 2.434 650 N HA 0.456 5.197 4.740 0.002 0.000 0.266 650 N C 0.971 176.485 175.510 0.006 0.000 1.223 650 N CA 0.124 53.176 53.050 0.004 0.000 0.972 650 N CB 0.190 38.680 38.487 0.004 0.000 1.207 650 N HN 0.701 nan 8.380 nan 0.000 0.525 651 Q N -1.102 118.702 119.800 0.006 0.000 2.152 651 Q HA -0.175 4.166 4.340 0.002 0.000 0.206 651 Q C 2.202 178.208 176.000 0.009 0.000 0.985 651 Q CA 2.757 58.564 55.803 0.007 0.000 0.863 651 Q CB -2.021 26.721 28.738 0.006 0.000 0.904 651 Q HN 0.886 nan 8.270 nan 0.000 0.422 652 E N 1.901 122.106 120.200 0.008 0.000 2.017 652 E HA -0.228 4.123 4.350 0.002 0.000 0.193 652 E C 1.915 178.521 176.600 0.012 0.000 0.997 652 E CA 1.417 57.822 56.400 0.010 0.000 0.804 652 E CB -0.818 28.887 29.700 0.009 0.000 0.757 652 E HN 0.791 nan 8.360 nan 0.000 0.448 653 D N 0.133 120.540 120.400 0.011 0.000 2.218 653 D HA 0.018 4.659 4.640 0.002 0.000 0.204 653 D C 2.141 178.450 176.300 0.014 0.000 0.976 653 D CA 1.383 55.390 54.000 0.013 0.000 0.853 653 D CB -0.342 40.463 40.800 0.010 0.000 0.939 653 D HN 0.490 nan 8.370 nan 0.000 0.481 654 A N 0.885 123.713 122.820 0.013 0.000 1.873 654 A HA -0.120 4.201 4.320 0.002 0.000 0.215 654 A C 2.162 179.758 177.584 0.020 0.000 1.186 654 A CA 0.871 52.917 52.037 0.015 0.000 0.616 654 A CB -0.705 18.303 19.000 0.013 0.000 0.823 654 A HN 0.218 nan 8.150 nan 0.000 0.442 655 L N -0.240 120.993 121.223 0.017 0.000 2.056 655 L HA -0.033 4.308 4.340 0.002 0.000 0.207 655 L C 2.717 179.600 176.870 0.022 0.000 1.078 655 L CA 2.114 56.965 54.840 0.018 0.000 0.749 655 L CB -0.791 41.277 42.059 0.014 0.000 0.901 655 L HN 0.356 nan 8.230 nan 0.000 0.433 656 A N -0.325 122.508 122.820 0.022 0.000 1.883 656 A HA -0.298 4.023 4.320 0.002 0.000 0.217 656 A C 2.530 180.135 177.584 0.035 0.000 1.186 656 A CA 2.080 54.133 52.037 0.026 0.000 0.624 656 A CB -0.710 18.305 19.000 0.024 0.000 0.822 656 A HN 0.494 nan 8.150 nan 0.000 0.444 657 R N -0.334 120.187 120.500 0.035 0.000 2.096 657 R HA -0.046 4.295 4.340 0.002 0.000 0.235 657 R C 1.891 178.224 176.300 0.056 0.000 1.127 657 R CA 1.586 57.713 56.100 0.045 0.000 0.968 657 R CB -0.428 29.892 30.300 0.034 0.000 0.861 657 R HN 0.584 nan 8.270 nan 0.000 0.440 658 I N 0.598 121.196 120.570 0.047 0.000 2.226 658 I HA -0.252 3.919 4.170 0.002 0.000 0.245 658 I C 1.951 178.096 176.117 0.047 0.000 1.100 658 I CA 1.513 62.844 61.300 0.052 0.000 1.374 658 I CB -0.293 37.730 38.000 0.038 0.000 1.057 658 I HN 0.309 nan 8.210 nan 0.000 0.413 659 E N 0.599 120.822 120.200 0.037 0.000 2.051 659 E HA -0.192 4.159 4.350 0.002 0.000 0.192 659 E C 2.355 178.983 176.600 0.046 0.000 0.991 659 E CA 1.206 57.625 56.400 0.031 0.000 0.799 659 E CB -0.086 29.629 29.700 0.025 0.000 0.748 659 E HN 0.232 nan 8.360 nan 0.000 0.449 660 K N 0.481 120.918 120.400 0.062 0.000 2.209 660 K HA -0.049 4.272 4.320 0.002 0.000 0.204 660 K C 2.023 178.700 176.600 0.129 0.000 1.048 660 K CA 0.739 57.078 56.287 0.087 0.000 0.940 660 K CB -0.343 32.212 32.500 0.093 0.000 0.729 660 K HN 0.251 nan 8.250 nan 0.000 0.451 661 L N 0.407 121.710 121.223 0.134 0.000 2.567 661 L HA 0.152 4.493 4.340 0.002 0.000 0.225 661 L C 0.704 177.677 176.870 0.171 0.000 1.119 661 L CA -0.046 54.918 54.840 0.206 0.000 0.871 661 L CB 0.008 42.194 42.059 0.213 0.000 1.036 661 L HN 0.070 nan 8.230 nan 0.000 0.459 662 S N 0.506 116.233 115.700 0.044 0.000 2.572 662 S HA 0.230 4.701 4.470 0.002 0.000 0.279 662 S C 0.045 174.613 174.600 -0.053 0.000 1.341 662 S CA -0.037 58.111 58.200 -0.086 0.000 1.043 662 S CB 0.857 64.025 63.200 -0.054 0.000 0.887 662 S HN 0.213 nan 8.310 nan 0.000 0.516 663 E N 0.595 120.712 120.200 -0.137 0.000 2.408 663 E HA 0.292 4.644 4.350 0.002 0.000 0.275 663 E C 0.080 176.661 176.600 -0.031 0.000 0.935 663 E CA -0.705 55.681 56.400 -0.022 0.000 0.775 663 E CB 1.507 31.257 29.700 0.084 0.000 1.277 663 E HN 0.268 nan 8.360 nan 0.000 0.455 664 V N 0.933 120.854 119.914 0.012 0.000 2.379 664 V HA -0.078 4.043 4.120 0.002 0.000 0.243 664 V C 0.156 176.267 176.094 0.029 0.000 1.035 664 V CA 1.128 63.435 62.300 0.013 0.000 1.035 664 V CB -0.366 31.470 31.823 0.022 0.000 0.673 664 V HN 0.558 nan 8.190 nan 0.000 0.457 665 N N 0.589 119.321 118.700 0.054 0.000 2.804 665 N HA 0.263 5.004 4.740 0.002 0.000 0.251 665 N C -2.144 173.428 175.510 0.104 0.000 1.250 665 N CA -1.069 52.023 53.050 0.070 0.000 0.820 665 N CB 1.483 40.013 38.487 0.072 0.000 1.156 665 N HN 0.171 nan 8.380 nan 0.000 0.512 666 P HA -0.278 nan 4.420 nan 0.000 0.220 666 P C 1.218 178.609 177.300 0.152 0.000 1.144 666 P CA 1.074 64.300 63.100 0.209 0.000 0.800 666 P CB 0.378 32.247 31.700 0.282 0.000 0.772 667 M N -0.692 118.975 119.600 0.112 0.000 2.229 667 M HA -0.065 4.416 4.480 0.002 0.000 0.264 667 M C 0.963 177.325 176.300 0.104 0.000 1.063 667 M CA 1.685 57.043 55.300 0.096 0.000 1.114 667 M CB -0.161 32.492 32.600 0.089 0.000 1.387 667 M HN -0.111 nan 8.290 nan 0.000 0.420 668 L N -0.242 121.047 121.223 0.110 0.000 3.288 668 L HA 0.395 4.736 4.340 0.002 0.000 0.293 668 L C 0.713 177.654 176.870 0.118 0.000 1.294 668 L CA -0.712 54.192 54.840 0.107 0.000 1.006 668 L CB 0.334 42.450 42.059 0.095 0.000 1.407 668 L HN 0.217 nan 8.230 nan 0.000 0.592 669 G N -0.484 108.406 108.800 0.149 0.000 3.075 669 G HA2 0.118 4.079 3.960 0.002 0.000 0.156 669 G HA3 0.118 4.079 3.960 0.002 0.000 0.156 669 G C -0.606 174.449 174.900 0.258 0.000 1.403 669 G CA -0.352 44.860 45.100 0.186 0.000 1.033 669 G HN -0.042 nan 8.290 nan 0.000 0.589 670 F N 2.894 122.900 119.950 0.094 0.000 2.651 670 F HA 0.438 4.966 4.527 0.001 0.000 0.347 670 F C 0.907 176.758 175.800 0.086 0.000 1.284 670 F CA -1.244 56.809 58.000 0.088 0.000 1.175 670 F CB -1.200 37.865 39.000 0.109 0.000 1.542 670 F HN 0.427 nan 8.300 nan 0.000 0.661 671 R N 1.821 122.437 120.500 0.193 0.000 2.766 671 R HA 0.749 5.090 4.340 0.002 0.000 0.270 671 R C 0.428 176.768 176.300 0.068 0.000 1.035 671 R CA -0.491 55.638 56.100 0.048 0.000 0.911 671 R CB 0.427 30.762 30.300 0.058 0.000 1.243 671 R HN 0.545 nan 8.270 nan 0.000 0.460 672 G N 0.148 108.977 108.800 0.048 0.000 2.596 672 G HA2 -0.470 3.491 3.960 0.002 0.000 0.295 672 G HA3 -0.470 3.491 3.960 0.002 0.000 0.295 672 G C 1.071 176.005 174.900 0.058 0.000 1.240 672 G CA 0.865 46.001 45.100 0.059 0.000 0.985 672 G HN 1.504 nan 8.290 nan 0.000 0.555 673 C N 0.036 119.371 119.300 0.059 0.000 2.419 673 C HA 0.140 4.601 4.460 0.002 0.000 0.283 673 C C 2.772 177.793 174.990 0.051 0.000 1.373 673 C CA 1.798 60.846 59.018 0.050 0.000 1.781 673 C CB -1.571 26.192 27.740 0.039 0.000 1.886 673 C HN 0.721 nan 8.230 nan 0.000 0.520 674 R N 0.218 120.775 120.500 0.096 0.000 2.096 674 R HA -0.019 4.322 4.340 0.002 0.000 0.235 674 R C 2.138 178.590 176.300 0.253 0.000 1.127 674 R CA 1.470 57.675 56.100 0.176 0.000 0.968 674 R CB -0.504 29.964 30.300 0.280 0.000 0.861 674 R HN 0.491 nan 8.270 nan 0.000 0.440 675 L N -0.169 121.113 121.223 0.099 0.000 2.095 675 L HA 0.099 4.440 4.340 0.002 0.000 0.204 675 L C 2.135 179.041 176.870 0.059 0.000 1.080 675 L CA 1.799 56.597 54.840 -0.071 0.000 0.759 675 L CB -0.797 41.123 42.059 -0.232 0.000 0.914 675 L HN 0.206 nan 8.230 nan 0.000 0.439 676 G N -0.843 107.990 108.800 0.054 0.000 2.471 676 G HA2 -0.172 3.789 3.960 0.002 0.000 0.219 676 G HA3 -0.172 3.789 3.960 0.002 0.000 0.219 676 G C 1.574 176.510 174.900 0.060 0.000 1.125 676 G CA 0.922 46.067 45.100 0.076 0.000 0.775 676 G HN 0.437 nan 8.290 nan 0.000 0.548 677 I N 0.483 121.032 120.570 -0.035 0.000 2.494 677 I HA -0.051 4.120 4.170 0.002 0.000 0.250 677 I C 2.716 178.736 176.117 -0.162 0.000 1.112 677 I CA 0.675 61.816 61.300 -0.265 0.000 1.438 677 I CB 0.090 37.853 38.000 -0.395 0.000 1.111 677 I HN 0.036 nan 8.210 nan 0.000 0.431 678 S N -0.369 115.280 115.700 -0.086 0.000 2.428 678 S HA -0.041 4.430 4.470 0.002 0.000 0.230 678 S C 0.109 174.449 174.600 -0.432 0.000 1.014 678 S CA 0.910 58.979 58.200 -0.219 0.000 0.957 678 S CB -0.077 63.053 63.200 -0.116 0.000 0.784 678 S HN 0.298 nan 8.310 nan 0.000 0.499 679 Y N 1.067 121.412 120.300 0.076 0.000 2.658 679 Y HA 0.327 4.878 4.550 0.002 0.000 0.362 679 Y C -1.998 173.931 175.900 0.048 0.000 1.017 679 Y CA -2.867 55.262 58.100 0.047 0.000 1.134 679 Y CB 0.590 39.051 38.460 0.002 0.000 1.144 679 Y HN 0.070 nan 8.280 nan 0.000 0.655 680 P HA -0.271 nan 4.420 nan 0.000 0.218 680 P C 1.088 178.465 177.300 0.128 0.000 1.146 680 P CA 1.787 64.987 63.100 0.166 0.000 0.820 680 P CB 0.444 32.250 31.700 0.178 0.000 0.778 681 E N 0.563 120.837 120.200 0.122 0.000 2.204 681 E HA -0.152 4.199 4.350 0.002 0.000 0.195 681 E C 2.193 178.831 176.600 0.064 0.000 0.990 681 E CA 0.862 57.311 56.400 0.081 0.000 0.821 681 E CB -1.292 28.449 29.700 0.069 0.000 0.750 681 E HN 0.309 nan 8.360 nan 0.000 0.477 682 L N 0.990 122.258 121.223 0.075 0.000 1.994 682 L HA -0.130 4.211 4.340 0.002 0.000 0.208 682 L C 2.684 179.594 176.870 0.066 0.000 1.071 682 L CA 1.905 56.771 54.840 0.044 0.000 0.745 682 L CB -0.716 41.365 42.059 0.037 0.000 0.892 682 L HN 0.132 nan 8.230 nan 0.000 0.431 683 T N -0.884 113.720 114.554 0.084 0.000 2.867 683 T HA -0.147 4.204 4.350 0.002 0.000 0.268 683 T C 1.705 176.448 174.700 0.071 0.000 1.057 683 T CA 1.107 63.257 62.100 0.084 0.000 1.136 683 T CB -0.114 68.816 68.868 0.104 0.000 0.874 683 T HN 0.384 nan 8.240 nan 0.000 0.466 684 E N 0.839 121.081 120.200 0.069 0.000 2.106 684 E HA -0.079 4.272 4.350 0.002 0.000 0.192 684 E C 2.227 178.857 176.600 0.051 0.000 0.984 684 E CA 0.736 57.169 56.400 0.055 0.000 0.806 684 E CB -0.195 29.533 29.700 0.046 0.000 0.750 684 E HN 0.304 nan 8.360 nan 0.000 0.458 685 M N 1.203 120.835 119.600 0.053 0.000 2.086 685 M HA -0.215 4.266 4.480 0.002 0.000 0.261 685 M C 1.856 178.206 176.300 0.083 0.000 1.067 685 M CA 1.848 57.182 55.300 0.058 0.000 1.116 685 M CB -0.348 32.281 32.600 0.048 0.000 1.348 685 M HN 0.049 nan 8.290 nan 0.000 0.407 686 Q N -0.303 119.552 119.800 0.091 0.000 2.119 686 Q HA -0.064 4.277 4.340 0.002 0.000 0.201 686 Q C 2.127 178.125 176.000 -0.003 0.000 0.972 686 Q CA 1.648 57.516 55.803 0.109 0.000 0.847 686 Q CB -0.309 28.500 28.738 0.119 0.000 0.903 686 Q HN 0.701 nan 8.270 nan 0.000 0.433 687 A N 1.531 124.333 122.820 -0.029 0.000 1.902 687 A HA -0.215 4.106 4.320 0.002 0.000 0.217 687 A C 2.073 179.610 177.584 -0.079 0.000 1.181 687 A CA 1.467 53.428 52.037 -0.126 0.000 0.623 687 A CB -0.507 18.515 19.000 0.036 0.000 0.818 687 A HN 0.232 nan 8.150 nan 0.000 0.443 688 R N -0.312 120.212 120.500 0.039 0.000 2.083 688 R HA -0.125 4.216 4.340 0.002 0.000 0.237 688 R C 2.307 178.647 176.300 0.066 0.000 1.137 688 R CA 1.593 57.738 56.100 0.076 0.000 0.951 688 R CB -0.461 29.873 30.300 0.057 0.000 0.851 688 R HN 0.419 nan 8.270 nan 0.000 0.434 689 A N 0.964 123.831 122.820 0.078 0.000 1.940 689 A HA -0.155 4.166 4.320 0.002 0.000 0.219 689 A C 2.163 179.823 177.584 0.128 0.000 1.176 689 A CA 1.541 53.675 52.037 0.162 0.000 0.631 689 A CB -0.515 18.658 19.000 0.288 0.000 0.814 689 A HN 0.397 nan 8.150 nan 0.000 0.446 690 I N -1.769 118.696 120.570 -0.175 0.000 2.142 690 I HA -0.235 3.936 4.170 0.002 0.000 0.240 690 I C 2.227 178.217 176.117 -0.212 0.000 1.078 690 I CA 1.427 62.444 61.300 -0.471 0.000 1.343 690 I CB -0.424 37.060 38.000 -0.860 0.000 1.046 690 I HN 0.306 nan 8.210 nan 0.000 0.405 691 F N 1.047 120.969 119.950 -0.046 0.000 2.186 691 F HA -0.132 4.396 4.527 0.001 0.000 0.299 691 F C 2.517 178.348 175.800 0.052 0.000 1.090 691 F CA 1.092 59.069 58.000 -0.038 0.000 1.307 691 F CB -0.808 38.047 39.000 -0.242 0.000 1.019 691 F HN 0.077 nan 8.300 nan 0.000 0.489 692 E N 0.102 120.430 120.200 0.212 0.000 2.106 692 E HA -0.143 4.208 4.350 0.002 0.000 0.192 692 E C 2.416 179.127 176.600 0.185 0.000 0.984 692 E CA 0.953 57.455 56.400 0.170 0.000 0.806 692 E CB -0.303 29.470 29.700 0.122 0.000 0.750 692 E HN 0.359 nan 8.360 nan 0.000 0.458 693 A N 1.519 124.480 122.820 0.235 0.000 1.898 693 A HA -0.040 4.281 4.320 0.002 0.000 0.216 693 A C 2.389 180.190 177.584 0.362 0.000 1.181 693 A CA 1.452 53.674 52.037 0.309 0.000 0.620 693 A CB -0.514 18.716 19.000 0.383 0.000 0.819 693 A HN 0.277 nan 8.150 nan 0.000 0.442 694 A N 0.148 123.156 122.820 0.314 0.000 1.877 694 A HA -0.083 4.238 4.320 0.002 0.000 0.216 694 A C 2.024 179.614 177.584 0.009 0.000 1.186 694 A CA 1.686 53.702 52.037 -0.035 0.000 0.620 694 A CB -0.497 18.439 19.000 -0.107 0.000 0.822 694 A HN 0.396 nan 8.150 nan 0.000 0.443 695 I N -0.037 120.601 120.570 0.113 0.000 2.179 695 I HA -0.224 3.947 4.170 0.002 0.000 0.242 695 I C 2.977 179.130 176.117 0.060 0.000 1.088 695 I CA 1.454 62.805 61.300 0.086 0.000 1.357 695 I CB -1.648 36.436 38.000 0.140 0.000 1.051 695 I HN 0.366 nan 8.210 nan 0.000 0.409 696 A N 0.381 123.255 122.820 0.090 0.000 1.940 696 A HA -0.212 4.109 4.320 0.002 0.000 0.219 696 A C 2.262 179.881 177.584 0.059 0.000 1.176 696 A CA 1.583 53.664 52.037 0.074 0.000 0.631 696 A CB -0.413 18.641 19.000 0.091 0.000 0.814 696 A HN 0.283 nan 8.150 nan 0.000 0.446 697 M N -0.867 118.776 119.600 0.071 0.000 2.288 697 M HA -0.033 4.448 4.480 0.002 0.000 0.266 697 M C 2.057 178.351 176.300 -0.011 0.000 1.072 697 M CA 1.581 56.910 55.300 0.049 0.000 1.132 697 M CB -1.744 30.910 32.600 0.090 0.000 1.386 697 M HN 0.393 nan 8.290 nan 0.000 0.432 698 T N 1.202 115.729 114.554 -0.044 0.000 2.833 698 T HA -0.077 4.274 4.350 0.002 0.000 0.269 698 T C 1.492 176.166 174.700 -0.044 0.000 1.054 698 T CA 1.043 63.097 62.100 -0.078 0.000 1.135 698 T CB -0.214 68.592 68.868 -0.104 0.000 0.869 698 T HN 0.299 nan 8.240 nan 0.000 0.466 699 N N 1.313 120.003 118.700 -0.017 0.000 2.515 699 N HA 0.020 4.761 4.740 0.002 0.000 0.185 699 N C 1.366 176.873 175.510 -0.005 0.000 1.109 699 N CA 0.500 53.545 53.050 -0.009 0.000 0.903 699 N CB 0.017 38.507 38.487 0.005 0.000 0.969 699 N HN 0.527 nan 8.380 nan 0.000 0.450 700 Q N -0.958 118.840 119.800 -0.004 0.000 2.198 700 Q HA 0.255 4.596 4.340 0.002 0.000 0.209 700 Q C 0.400 176.397 176.000 -0.006 0.000 0.848 700 Q CA -0.064 55.740 55.803 0.001 0.000 0.974 700 Q CB 0.785 29.531 28.738 0.012 0.000 1.115 700 Q HN 0.326 nan 8.270 nan 0.000 0.494 701 G N 0.388 109.177 108.800 -0.018 0.000 2.175 701 G HA2 -0.237 3.724 3.960 0.002 0.000 0.244 701 G HA3 -0.237 3.724 3.960 0.002 0.000 0.244 701 G C 0.196 175.078 174.900 -0.030 0.000 0.982 701 G CA 0.023 45.110 45.100 -0.022 0.000 0.641 701 G HN 0.223 nan 8.290 nan 0.000 0.527 702 V N 1.281 121.174 119.914 -0.036 0.000 2.649 702 V HA 0.386 4.507 4.120 0.002 0.000 0.292 702 V C 0.711 176.734 176.094 -0.120 0.000 1.055 702 V CA -0.127 62.145 62.300 -0.048 0.000 1.023 702 V CB 1.620 33.431 31.823 -0.019 0.000 0.992 702 V HN 0.416 nan 8.190 nan 0.000 0.480 703 Q N 2.940 122.655 119.800 -0.142 0.000 2.322 703 Q HA 0.511 4.852 4.340 0.002 0.000 0.256 703 Q C -1.091 174.609 176.000 -0.499 0.000 0.960 703 Q CA -0.360 55.259 55.803 -0.308 0.000 0.934 703 Q CB 1.846 30.490 28.738 -0.157 0.000 1.200 703 Q HN 0.594 nan 8.270 nan 0.000 0.435 704 V N 3.701 123.169 119.914 -0.743 0.000 2.495 704 V HA 0.411 4.532 4.120 0.002 0.000 0.298 704 V C -0.841 174.672 176.094 -0.969 0.000 1.031 704 V CA -0.643 61.199 62.300 -0.763 0.000 0.871 704 V CB 1.006 32.376 31.823 -0.756 0.000 0.988 704 V HN 0.622 nan 8.190 nan 0.000 0.432 705 F N 5.869 125.706 119.950 -0.188 0.000 2.550 705 F HA 0.396 4.925 4.527 0.002 0.000 0.348 705 F C -2.185 173.571 175.800 -0.073 0.000 1.219 705 F CA -2.543 55.401 58.000 -0.094 0.000 1.203 705 F CB 1.261 40.223 39.000 -0.064 0.000 1.436 705 F HN 0.303 nan 8.300 nan 0.000 0.541 706 P HA 0.173 nan 4.420 nan 0.000 0.275 706 P C -0.690 176.719 177.300 0.181 0.000 1.227 706 P CA 0.029 63.165 63.100 0.060 0.000 0.781 706 P CB 1.553 33.227 31.700 -0.044 0.000 0.906 707 E N 2.312 122.597 120.200 0.142 0.000 2.292 707 E HA 0.496 4.847 4.350 0.002 0.000 0.272 707 E C -0.607 176.113 176.600 0.200 0.000 0.881 707 E CA -0.765 55.757 56.400 0.204 0.000 0.754 707 E CB 2.063 31.776 29.700 0.021 0.000 1.201 707 E HN 0.418 nan 8.360 nan 0.000 0.425 708 I N 2.993 123.747 120.570 0.307 0.000 2.362 708 I HA 0.348 4.519 4.170 0.002 0.000 0.289 708 I C -0.271 176.033 176.117 0.313 0.000 0.994 708 I CA -0.553 60.870 61.300 0.204 0.000 1.158 708 I CB 1.325 39.380 38.000 0.092 0.000 1.315 708 I HN 0.393 nan 8.210 nan 0.000 0.451 709 M N 7.133 126.900 119.600 0.278 0.000 2.205 709 M HA 0.445 4.926 4.480 0.002 0.000 0.344 709 M C -1.354 175.016 176.300 0.116 0.000 1.085 709 M CA -0.655 54.799 55.300 0.256 0.000 1.001 709 M CB 1.561 34.371 32.600 0.350 0.000 1.626 709 M HN 0.297 nan 8.290 nan 0.000 0.442 710 V N 8.376 128.320 119.914 0.050 0.000 2.406 710 V HA 0.454 4.575 4.120 0.002 0.000 0.272 710 V C -2.023 174.091 176.094 0.035 0.000 1.043 710 V CA -1.101 61.225 62.300 0.043 0.000 0.915 710 V CB 0.964 32.804 31.823 0.028 0.000 0.988 710 V HN 0.713 nan 8.190 nan 0.000 0.466 711 P HA 0.321 nan 4.420 nan 0.000 0.283 711 P C -0.000 177.322 177.300 0.038 0.000 1.271 711 P CA -0.531 62.596 63.100 0.046 0.000 0.841 711 P CB 1.618 33.355 31.700 0.061 0.000 1.122 712 L N -0.283 120.961 121.223 0.035 0.000 3.737 712 L HA -0.161 4.180 4.340 0.002 0.000 0.418 712 L C -0.762 176.124 176.870 0.026 0.000 1.216 712 L CA 0.579 55.443 54.840 0.039 0.000 0.915 712 L CB -1.798 40.296 42.059 0.059 0.000 1.834 712 L HN 0.070 nan 8.230 nan 0.000 0.943 713 V N -0.182 119.733 119.914 0.001 0.000 2.583 713 V HA 0.529 4.650 4.120 0.002 0.000 0.287 713 V C 1.515 177.603 176.094 -0.010 0.000 1.051 713 V CA 0.918 63.214 62.300 -0.007 0.000 1.010 713 V CB 1.260 33.065 31.823 -0.029 0.000 0.988 713 V HN 0.519 nan 8.190 nan 0.000 0.478 714 G N 2.988 111.791 108.800 0.005 0.000 3.274 714 G HA2 0.351 4.312 3.960 0.002 0.000 0.250 714 G HA3 0.351 4.312 3.960 0.002 0.000 0.250 714 G C 0.329 175.237 174.900 0.014 0.000 1.024 714 G CA 0.697 45.803 45.100 0.010 0.000 0.840 714 G HN 0.775 nan 8.290 nan 0.000 0.522 715 T N -3.329 111.233 114.554 0.014 0.000 2.868 715 T HA 0.561 4.912 4.350 0.002 0.000 0.306 715 T C -2.489 172.227 174.700 0.026 0.000 1.224 715 T CA -1.333 60.781 62.100 0.023 0.000 1.012 715 T CB 2.902 71.784 68.868 0.024 0.000 1.221 715 T HN -0.178 nan 8.240 nan 0.000 0.499 716 P HA 0.001 nan 4.420 nan 0.000 0.225 716 P C 1.059 178.386 177.300 0.046 0.000 1.156 716 P CA 0.841 63.966 63.100 0.041 0.000 0.787 716 P CB 0.278 32.006 31.700 0.047 0.000 0.802 717 Q N 0.762 120.589 119.800 0.045 0.000 2.079 717 Q HA -0.143 4.198 4.340 0.002 0.000 0.200 717 Q C 2.242 178.287 176.000 0.074 0.000 0.974 717 Q CA 1.617 57.455 55.803 0.058 0.000 0.840 717 Q CB -0.742 28.024 28.738 0.048 0.000 0.898 717 Q HN 0.392 nan 8.270 nan 0.000 0.430 718 E N -0.159 120.071 120.200 0.049 0.000 2.085 718 E HA -0.203 4.148 4.350 0.002 0.000 0.194 718 E C 1.768 178.412 176.600 0.073 0.000 0.994 718 E CA 1.026 57.450 56.400 0.041 0.000 0.801 718 E CB -0.154 29.556 29.700 0.018 0.000 0.743 718 E HN 0.170 nan 8.360 nan 0.000 0.453 719 L N 0.471 121.728 121.223 0.057 0.000 2.056 719 L HA -0.014 4.327 4.340 0.002 0.000 0.207 719 L C 2.182 179.099 176.870 0.078 0.000 1.078 719 L CA 2.128 57.000 54.840 0.055 0.000 0.749 719 L CB -0.863 41.212 42.059 0.027 0.000 0.901 719 L HN 0.103 nan 8.230 nan 0.000 0.433 720 G N -1.595 107.253 108.800 0.079 0.000 2.422 720 G HA2 -0.336 3.625 3.960 0.002 0.000 0.218 720 G HA3 -0.336 3.625 3.960 0.002 0.000 0.218 720 G C 1.679 176.635 174.900 0.094 0.000 1.146 720 G CA 0.877 46.022 45.100 0.074 0.000 0.769 720 G HN 0.598 nan 8.290 nan 0.000 0.547 721 H N 0.465 119.552 119.070 0.028 0.000 2.321 721 H HA -0.040 4.516 4.556 0.002 0.000 0.300 721 H C 2.502 177.851 175.328 0.037 0.000 1.087 721 H CA 1.834 57.900 56.048 0.030 0.000 1.319 721 H CB -0.063 29.716 29.762 0.028 0.000 1.379 721 H HN 0.257 nan 8.280 nan 0.000 0.501 722 Q N 0.247 120.225 119.800 0.297 0.000 2.119 722 Q HA -0.060 4.281 4.340 0.002 0.000 0.201 722 Q C 2.787 178.857 176.000 0.116 0.000 0.972 722 Q CA 0.988 56.923 55.803 0.219 0.000 0.847 722 Q CB -0.405 28.433 28.738 0.166 0.000 0.903 722 Q HN 0.343 nan 8.270 nan 0.000 0.433 723 V N 0.904 120.875 119.914 0.095 0.000 2.343 723 V HA -0.233 3.888 4.120 0.002 0.000 0.247 723 V C 2.280 178.416 176.094 0.070 0.000 1.051 723 V CA 2.091 64.445 62.300 0.089 0.000 1.036 723 V CB -0.874 30.993 31.823 0.073 0.000 0.654 723 V HN 0.372 nan 8.190 nan 0.000 0.451 724 T N 0.236 114.803 114.554 0.023 0.000 2.746 724 T HA -0.179 4.172 4.350 0.002 0.000 0.267 724 T C 1.868 176.555 174.700 -0.022 0.000 1.039 724 T CA 1.671 63.763 62.100 -0.014 0.000 1.142 724 T CB -0.313 68.513 68.868 -0.071 0.000 0.866 724 T HN 0.243 nan 8.240 nan 0.000 0.444 725 L N 0.960 122.161 121.223 -0.037 0.000 2.017 725 L HA 0.069 4.410 4.340 0.002 0.000 0.208 725 L C 2.160 179.048 176.870 0.030 0.000 1.073 725 L CA 1.477 56.307 54.840 -0.017 0.000 0.745 725 L CB -0.687 41.376 42.059 0.006 0.000 0.894 725 L HN 0.283 nan 8.230 nan 0.000 0.432 726 I N -0.907 119.708 120.570 0.074 0.000 2.264 726 I HA -0.321 3.850 4.170 0.002 0.000 0.248 726 I C 2.531 178.701 176.117 0.089 0.000 1.111 726 I CA 1.233 62.608 61.300 0.125 0.000 1.382 726 I CB -0.344 37.761 38.000 0.175 0.000 1.060 726 I HN 0.241 nan 8.210 nan 0.000 0.418 727 R N 0.241 120.790 120.500 0.082 0.000 2.115 727 R HA -0.111 4.230 4.340 0.002 0.000 0.226 727 R C 2.256 178.525 176.300 -0.051 0.000 1.100 727 R CA 0.944 57.079 56.100 0.057 0.000 0.980 727 R CB -0.214 30.156 30.300 0.116 0.000 0.875 727 R HN 0.513 nan 8.270 nan 0.000 0.445 728 Q N 0.090 119.865 119.800 -0.041 0.000 2.119 728 Q HA -0.082 4.259 4.340 0.002 0.000 0.201 728 Q C 2.160 178.091 176.000 -0.114 0.000 0.972 728 Q CA 1.228 56.993 55.803 -0.063 0.000 0.847 728 Q CB 0.085 28.799 28.738 -0.041 0.000 0.903 728 Q HN 0.135 nan 8.270 nan 0.000 0.433 729 V N 0.962 120.811 119.914 -0.107 0.000 2.427 729 V HA -0.243 3.878 4.120 0.002 0.000 0.248 729 V C 2.260 178.135 176.094 -0.364 0.000 1.051 729 V CA 1.650 63.874 62.300 -0.126 0.000 1.048 729 V CB -0.916 30.909 31.823 0.002 0.000 0.666 729 V HN 0.373 nan 8.190 nan 0.000 0.456 730 A N 1.173 123.603 122.820 -0.650 0.000 1.883 730 A HA -0.288 4.033 4.320 0.002 0.000 0.217 730 A C 2.231 179.064 177.584 -1.252 0.000 1.186 730 A CA 2.127 53.228 52.037 -1.560 0.000 0.624 730 A CB -0.547 17.487 19.000 -1.609 0.000 0.822 730 A HN 0.786 nan 8.150 nan 0.000 0.444 731 E N 0.016 119.905 120.200 -0.518 0.000 2.106 731 E HA -0.209 4.142 4.350 0.002 0.000 0.192 731 E C 1.877 178.381 176.600 -0.158 0.000 0.984 731 E CA 1.326 57.610 56.400 -0.193 0.000 0.806 731 E CB -0.308 29.361 29.700 -0.052 0.000 0.750 731 E HN 0.609 nan 8.360 nan 0.000 0.458 732 K N 0.831 121.119 120.400 -0.187 0.000 2.026 732 K HA -0.082 4.239 4.320 0.002 0.000 0.208 732 K C 2.274 178.807 176.600 -0.112 0.000 1.048 732 K CA 1.457 57.678 56.287 -0.110 0.000 0.929 732 K CB -0.112 32.335 32.500 -0.088 0.000 0.713 732 K HN 0.000 nan 8.250 nan 0.000 0.439 733 V N 1.038 120.820 119.914 -0.219 0.000 2.343 733 V HA -0.229 3.892 4.120 0.002 0.000 0.247 733 V C 2.053 178.134 176.094 -0.022 0.000 1.051 733 V CA 1.673 63.880 62.300 -0.155 0.000 1.036 733 V CB -0.544 31.139 31.823 -0.233 0.000 0.654 733 V HN 0.151 nan 8.190 nan 0.000 0.451 734 F N 0.865 120.756 119.950 -0.099 0.000 2.186 734 F HA -0.045 4.483 4.527 0.001 0.000 0.299 734 F C 2.404 178.176 175.800 -0.046 0.000 1.090 734 F CA 0.789 58.742 58.000 -0.077 0.000 1.307 734 F CB -1.467 37.473 39.000 -0.101 0.000 1.019 734 F HN 0.127 nan 8.300 nan 0.000 0.489 735 A N 0.423 123.323 122.820 0.132 0.000 1.897 735 A HA -0.144 4.178 4.320 0.002 0.000 0.215 735 A C 2.152 179.766 177.584 0.049 0.000 1.181 735 A CA 1.560 53.639 52.037 0.070 0.000 0.620 735 A CB -0.695 18.327 19.000 0.035 0.000 0.821 735 A HN 0.306 nan 8.150 nan 0.000 0.443 736 N N 0.192 118.915 118.700 0.038 0.000 2.142 736 N HA -0.100 4.641 4.740 0.002 0.000 0.186 736 N C 1.501 177.036 175.510 0.041 0.000 1.023 736 N CA 1.590 54.658 53.050 0.029 0.000 0.852 736 N CB -0.468 38.030 38.487 0.019 0.000 0.998 736 N HN 0.258 nan 8.380 nan 0.000 0.424 737 V N -0.062 119.891 119.914 0.065 0.000 3.129 737 V HA 0.116 4.237 4.120 0.002 0.000 0.259 737 V C 1.398 177.523 176.094 0.052 0.000 1.116 737 V CA 0.975 63.315 62.300 0.066 0.000 1.127 737 V CB -0.673 31.211 31.823 0.101 0.000 0.742 737 V HN 0.496 nan 8.190 nan 0.000 0.474 738 G N 0.920 109.754 108.800 0.055 0.000 2.160 738 G HA2 -0.312 3.649 3.960 0.002 0.000 0.251 738 G HA3 -0.312 3.649 3.960 0.002 0.000 0.251 738 G C 0.111 175.018 174.900 0.010 0.000 1.008 738 G CA 0.834 45.952 45.100 0.030 0.000 0.724 738 G HN 0.571 nan 8.290 nan 0.000 0.514 739 K N -0.483 119.925 120.400 0.015 0.000 2.527 739 K HA 0.646 4.967 4.320 0.002 0.000 0.260 739 K C -1.027 175.448 176.600 -0.208 0.000 0.937 739 K CA -0.526 55.722 56.287 -0.065 0.000 0.826 739 K CB 1.569 34.039 32.500 -0.049 0.000 1.359 739 K HN 0.046 nan 8.250 nan 0.000 0.434 740 T N 3.680 117.999 114.554 -0.391 0.000 2.876 740 T HA 0.573 4.924 4.350 0.002 0.000 0.289 740 T C -0.638 173.658 174.700 -0.673 0.000 1.014 740 T CA -0.711 60.845 62.100 -0.907 0.000 0.986 740 T CB 0.700 69.193 68.868 -0.625 0.000 1.021 740 T HN 0.576 nan 8.240 nan 0.000 0.458 741 I N -0.995 119.076 120.570 -0.832 0.000 3.042 741 I HA 0.935 5.106 4.170 0.002 0.000 0.310 741 I C 0.305 176.375 176.117 -0.078 0.000 1.117 741 I CA -1.391 59.726 61.300 -0.304 0.000 1.003 741 I CB 1.813 39.711 38.000 -0.169 0.000 1.228 741 I HN 0.688 nan 8.210 nan 0.000 0.443 742 G N 1.924 110.742 108.800 0.030 0.000 2.539 742 G HA2 0.520 4.481 3.960 0.002 0.000 0.258 742 G HA3 0.520 4.481 3.960 0.002 0.000 0.258 742 G C -1.278 173.804 174.900 0.304 0.000 1.202 742 G CA -0.209 44.960 45.100 0.115 0.000 0.851 742 G HN 0.988 nan 8.290 nan 0.000 0.556 743 Y N -2.025 118.384 120.300 0.182 0.000 2.702 743 Y HA 0.699 5.250 4.550 0.002 0.000 0.336 743 Y C -0.921 175.114 175.900 0.225 0.000 1.203 743 Y CA -1.547 56.698 58.100 0.242 0.000 1.072 743 Y CB 1.154 39.861 38.460 0.412 0.000 1.327 743 Y HN 0.504 nan 8.280 nan 0.000 0.456 744 K N 1.738 122.334 120.400 0.326 0.000 2.328 744 K HA 0.813 5.134 4.320 0.002 0.000 0.246 744 K C -1.683 175.205 176.600 0.480 0.000 0.955 744 K CA -1.291 55.160 56.287 0.274 0.000 0.817 744 K CB 3.165 35.858 32.500 0.322 0.000 1.208 744 K HN 0.511 nan 8.250 nan 0.000 0.432 745 V N 0.957 121.072 119.914 0.335 0.000 2.604 745 V HA 0.719 4.840 4.120 0.002 0.000 0.305 745 V C 0.125 176.136 176.094 -0.139 0.000 1.043 745 V CA -0.541 61.901 62.300 0.236 0.000 0.888 745 V CB 1.675 33.625 31.823 0.211 0.000 0.995 745 V HN 1.038 nan 8.190 nan 0.000 0.429 746 G N 1.698 110.160 108.800 -0.563 0.000 2.870 746 G HA2 0.737 4.698 3.960 0.002 0.000 0.299 746 G HA3 0.737 4.698 3.960 0.002 0.000 0.299 746 G C -1.098 173.402 174.900 -0.666 0.000 1.324 746 G CA -0.232 44.040 45.100 -1.380 0.000 0.808 746 G HN 0.730 nan 8.290 nan 0.000 0.535 747 T N -0.824 113.410 114.554 -0.534 0.000 2.883 747 T HA 0.584 4.935 4.350 0.002 0.000 0.301 747 T C -0.985 173.653 174.700 -0.103 0.000 1.158 747 T CA -0.495 61.488 62.100 -0.194 0.000 1.007 747 T CB 1.563 70.335 68.868 -0.160 0.000 1.186 747 T HN 0.627 nan 8.240 nan 0.000 0.499 748 M N 4.543 124.113 119.600 -0.049 0.000 2.144 748 M HA 0.514 4.995 4.480 0.002 0.000 0.356 748 M C -1.028 175.188 176.300 -0.141 0.000 1.217 748 M CA -0.713 54.567 55.300 -0.032 0.000 1.087 748 M CB 0.398 33.021 32.600 0.038 0.000 1.609 748 M HN 0.421 nan 8.290 nan 0.000 0.467 749 I N 5.846 126.269 120.570 -0.245 0.000 2.291 749 I HA 0.172 4.343 4.170 0.002 0.000 0.290 749 I C 0.530 176.650 176.117 0.004 0.000 1.050 749 I CA 0.343 61.471 61.300 -0.288 0.000 1.245 749 I CB 0.171 37.751 38.000 -0.700 0.000 1.405 749 I HN 0.885 nan 8.210 nan 0.000 0.478 750 E N 5.522 125.746 120.200 0.041 0.000 2.679 750 E HA 0.286 4.637 4.350 0.002 0.000 0.221 750 E C 0.067 176.730 176.600 0.105 0.000 0.928 750 E CA -0.126 56.345 56.400 0.118 0.000 1.296 750 E CB 0.677 30.443 29.700 0.109 0.000 1.235 750 E HN 0.388 nan 8.360 nan 0.000 0.622 751 I N 2.726 123.336 120.570 0.067 0.000 2.353 751 I HA 0.211 4.382 4.170 0.002 0.000 0.293 751 I C -1.790 174.366 176.117 0.065 0.000 0.992 751 I CA -2.588 58.749 61.300 0.063 0.000 1.268 751 I CB 1.615 39.640 38.000 0.041 0.000 1.387 751 I HN -0.195 nan 8.210 nan 0.000 0.478 752 P HA -0.191 nan 4.420 nan 0.000 0.215 752 P C 1.580 178.908 177.300 0.047 0.000 1.157 752 P CA 1.310 64.443 63.100 0.055 0.000 0.874 752 P CB 0.052 31.770 31.700 0.030 0.000 0.790 753 R N -0.353 120.168 120.500 0.036 0.000 2.127 753 R HA -0.147 4.194 4.340 0.002 0.000 0.238 753 R C 2.046 178.373 176.300 0.045 0.000 1.134 753 R CA 1.547 57.667 56.100 0.034 0.000 0.975 753 R CB -0.755 29.562 30.300 0.028 0.000 0.865 753 R HN 0.093 nan 8.270 nan 0.000 0.447 754 A N 0.381 123.218 122.820 0.029 0.000 1.933 754 A HA -0.089 4.232 4.320 0.002 0.000 0.218 754 A C 2.277 179.878 177.584 0.029 0.000 1.175 754 A CA 1.564 53.597 52.037 -0.006 0.000 0.628 754 A CB -0.588 18.367 19.000 -0.075 0.000 0.814 754 A HN 0.506 nan 8.150 nan 0.000 0.444 755 A N -0.275 122.603 122.820 0.096 0.000 1.930 755 A HA 0.045 4.366 4.320 0.002 0.000 0.217 755 A C 2.101 179.888 177.584 0.338 0.000 1.175 755 A CA 1.297 53.469 52.037 0.226 0.000 0.627 755 A CB -0.513 18.646 19.000 0.266 0.000 0.815 755 A HN 0.469 nan 8.150 nan 0.000 0.443 756 L N -0.259 121.086 121.223 0.204 0.000 2.141 756 L HA -0.086 4.255 4.340 0.002 0.000 0.209 756 L C 1.634 178.669 176.870 0.275 0.000 1.094 756 L CA 1.310 56.270 54.840 0.201 0.000 0.763 756 L CB -0.287 41.798 42.059 0.044 0.000 0.908 756 L HN 0.415 nan 8.230 nan 0.000 0.437 757 V N -4.398 115.625 119.914 0.181 0.000 2.982 757 V HA 0.445 4.566 4.120 0.002 0.000 0.368 757 V C 1.680 177.860 176.094 0.143 0.000 1.350 757 V CA 0.203 62.592 62.300 0.147 0.000 1.251 757 V CB -0.142 31.736 31.823 0.092 0.000 1.284 757 V HN 0.148 nan 8.190 nan 0.000 0.533 758 A N 1.984 124.917 122.820 0.189 0.000 1.978 758 A HA -0.217 4.104 4.320 0.002 0.000 0.220 758 A C 2.024 179.754 177.584 0.244 0.000 1.170 758 A CA 2.166 54.339 52.037 0.226 0.000 0.636 758 A CB -0.497 18.677 19.000 0.290 0.000 0.810 758 A HN 0.819 nan 8.150 nan 0.000 0.448 759 D N 0.106 120.587 120.400 0.135 0.000 2.117 759 D HA -0.210 4.431 4.640 0.002 0.000 0.197 759 D C 1.521 177.870 176.300 0.081 0.000 0.987 759 D CA 1.583 55.629 54.000 0.076 0.000 0.829 759 D CB -0.765 40.055 40.800 0.034 0.000 0.961 759 D HN 0.664 nan 8.370 nan 0.000 0.460 760 E N 0.404 120.657 120.200 0.089 0.000 2.072 760 E HA -0.018 4.333 4.350 0.002 0.000 0.190 760 E C 2.555 179.208 176.600 0.088 0.000 0.982 760 E CA 0.372 56.815 56.400 0.072 0.000 0.803 760 E CB -0.024 29.714 29.700 0.064 0.000 0.755 760 E HN 0.346 nan 8.360 nan 0.000 0.453 761 I N 1.380 122.024 120.570 0.123 0.000 2.361 761 I HA -0.225 3.946 4.170 0.002 0.000 0.251 761 I C 2.421 178.666 176.117 0.213 0.000 1.133 761 I CA 0.699 62.083 61.300 0.140 0.000 1.413 761 I CB -0.238 37.819 38.000 0.095 0.000 1.073 761 I HN 0.063 nan 8.210 nan 0.000 0.424 762 A N 0.273 123.230 122.820 0.228 0.000 2.121 762 A HA -0.160 4.161 4.320 0.002 0.000 0.218 762 A C 2.064 179.649 177.584 0.002 0.000 1.154 762 A CA 1.115 53.186 52.037 0.057 0.000 0.679 762 A CB -0.445 18.489 19.000 -0.111 0.000 0.795 762 A HN 0.439 nan 8.150 nan 0.000 0.458 763 E N -0.687 119.530 120.200 0.029 0.000 2.274 763 E HA -0.132 4.219 4.350 0.002 0.000 0.194 763 E C 1.751 178.358 176.600 0.013 0.000 0.996 763 E CA 0.864 57.270 56.400 0.011 0.000 0.840 763 E CB 0.056 29.767 29.700 0.019 0.000 0.772 763 E HN 0.551 nan 8.360 nan 0.000 0.491 764 Q N -0.648 119.169 119.800 0.028 0.000 2.394 764 Q HA 0.214 4.555 4.340 0.002 0.000 0.218 764 Q C 0.383 176.386 176.000 0.007 0.000 0.907 764 Q CA 0.281 56.099 55.803 0.024 0.000 0.919 764 Q CB 0.791 29.550 28.738 0.035 0.000 1.051 764 Q HN 0.077 nan 8.270 nan 0.000 0.538 765 A N 1.107 123.936 122.820 0.014 0.000 2.301 765 A HA 0.326 4.647 4.320 0.002 0.000 0.312 765 A C 0.410 177.944 177.584 -0.083 0.000 1.182 765 A CA -0.335 51.677 52.037 -0.042 0.000 0.826 765 A CB 0.667 19.712 19.000 0.074 0.000 1.134 765 A HN 0.105 nan 8.150 nan 0.000 0.501 766 E N 0.559 120.697 120.200 -0.102 0.000 2.452 766 E HA 0.194 4.545 4.350 0.002 0.000 0.197 766 E C -0.783 175.888 176.600 0.118 0.000 1.022 766 E CA 0.396 56.799 56.400 0.006 0.000 0.890 766 E CB 0.203 29.957 29.700 0.090 0.000 0.918 766 E HN 0.693 nan 8.360 nan 0.000 0.496 767 F N -1.781 118.203 119.950 0.056 0.000 2.678 767 F HA 0.543 5.071 4.527 0.001 0.000 0.308 767 F C -1.444 174.525 175.800 0.281 0.000 1.118 767 F CA -1.649 56.405 58.000 0.090 0.000 0.959 767 F CB 0.874 39.958 39.000 0.140 0.000 1.305 767 F HN -0.376 nan 8.300 nan 0.000 0.443 768 F N 1.561 121.612 119.950 0.167 0.000 2.426 768 F HA 0.605 5.133 4.527 0.001 0.000 0.348 768 F C -0.003 175.800 175.800 0.004 0.000 1.124 768 F CA -1.524 56.430 58.000 -0.077 0.000 1.008 768 F CB 1.919 40.739 39.000 -0.300 0.000 1.139 768 F HN 0.579 nan 8.300 nan 0.000 0.452 769 S N 4.688 120.479 115.700 0.152 0.000 2.577 769 S HA 0.419 4.890 4.470 0.002 0.000 0.294 769 S C -0.625 173.972 174.600 -0.004 0.000 1.161 769 S CA -0.404 57.890 58.200 0.158 0.000 1.143 769 S CB -0.161 63.242 63.200 0.338 0.000 0.991 769 S HN 0.257 nan 8.310 nan 0.000 0.475 770 F N 2.116 122.095 119.950 0.048 0.000 2.543 770 F HA 0.340 4.868 4.527 0.001 0.000 0.375 770 F C 1.421 177.250 175.800 0.048 0.000 1.075 770 F CA -0.246 57.770 58.000 0.026 0.000 1.225 770 F CB 0.661 39.658 39.000 -0.005 0.000 1.099 770 F HN 0.578 nan 8.300 nan 0.000 0.561 771 G N 1.698 110.668 108.800 0.283 0.000 4.190 771 G HA2 0.233 4.194 3.960 0.002 0.000 0.328 771 G HA3 0.233 4.194 3.960 0.002 0.000 0.328 771 G C 0.919 175.971 174.900 0.253 0.000 1.364 771 G CA -0.119 45.110 45.100 0.215 0.000 1.259 771 G HN 0.744 nan 8.290 nan 0.000 0.525 772 T N -1.552 113.183 114.554 0.301 0.000 2.897 772 T HA -0.215 4.136 4.350 0.002 0.000 0.271 772 T C 1.865 176.770 174.700 0.342 0.000 1.084 772 T CA 1.289 63.597 62.100 0.348 0.000 1.123 772 T CB -0.112 69.065 68.868 0.515 0.000 0.865 772 T HN 0.433 nan 8.240 nan 0.000 0.496 773 N N 1.254 120.111 118.700 0.260 0.000 2.106 773 N HA -0.149 4.592 4.740 0.002 0.000 0.188 773 N C 1.224 176.916 175.510 0.304 0.000 1.029 773 N CA 1.586 54.786 53.050 0.250 0.000 0.848 773 N CB -0.126 38.437 38.487 0.127 0.000 1.007 773 N HN 0.303 nan 8.380 nan 0.000 0.423 774 D N 0.666 121.200 120.400 0.224 0.000 2.194 774 D HA -0.069 4.572 4.640 0.002 0.000 0.204 774 D C 1.883 178.311 176.300 0.214 0.000 0.964 774 D CA 0.153 54.275 54.000 0.203 0.000 0.846 774 D CB -0.161 40.728 40.800 0.148 0.000 0.962 774 D HN 0.207 nan 8.370 nan 0.000 0.490 775 L N 0.624 121.977 121.223 0.217 0.000 2.141 775 L HA -0.087 4.254 4.340 0.002 0.000 0.209 775 L C 2.011 178.999 176.870 0.196 0.000 1.094 775 L CA 1.627 56.585 54.840 0.196 0.000 0.763 775 L CB -0.738 41.450 42.059 0.215 0.000 0.908 775 L HN -0.079 nan 8.230 nan 0.000 0.437 776 T N -1.046 113.649 114.554 0.236 0.000 2.857 776 T HA -0.142 4.209 4.350 0.002 0.000 0.266 776 T C 1.807 176.661 174.700 0.256 0.000 1.048 776 T CA 1.263 63.490 62.100 0.212 0.000 1.139 776 T CB -0.058 68.851 68.868 0.069 0.000 0.874 776 T HN 0.439 nan 8.240 nan 0.000 0.455 777 Q N 0.318 120.347 119.800 0.382 0.000 2.050 777 Q HA -0.026 4.315 4.340 0.002 0.000 0.202 777 Q C 2.336 178.516 176.000 0.300 0.000 0.980 777 Q CA 1.402 57.473 55.803 0.446 0.000 0.840 777 Q CB -0.230 28.731 28.738 0.371 0.000 0.898 777 Q HN 0.500 nan 8.270 nan 0.000 0.424 778 M N -0.624 119.108 119.600 0.219 0.000 2.236 778 M HA -0.097 4.384 4.480 0.002 0.000 0.266 778 M C 2.062 178.426 176.300 0.106 0.000 1.070 778 M CA 1.129 56.521 55.300 0.153 0.000 1.137 778 M CB 0.128 32.801 32.600 0.123 0.000 1.378 778 M HN 0.123 nan 8.290 nan 0.000 0.426 779 T N -0.343 114.269 114.554 0.096 0.000 2.857 779 T HA -0.045 4.306 4.350 0.002 0.000 0.266 779 T C 1.227 175.853 174.700 -0.123 0.000 1.048 779 T CA 1.177 63.267 62.100 -0.016 0.000 1.139 779 T CB -0.157 68.691 68.868 -0.033 0.000 0.874 779 T HN 0.223 nan 8.240 nan 0.000 0.455 780 F N 0.677 120.523 119.950 -0.173 0.000 2.698 780 F HA 0.331 4.860 4.527 0.002 0.000 0.295 780 F C 1.812 177.501 175.800 -0.185 0.000 1.124 780 F CA 0.131 57.899 58.000 -0.388 0.000 1.426 780 F CB 0.017 38.452 39.000 -0.941 0.000 1.120 780 F HN 0.272 nan 8.300 nan 0.000 0.583 781 G N 0.323 109.240 108.800 0.196 0.000 2.272 781 G HA2 -0.300 3.661 3.960 0.002 0.000 0.280 781 G HA3 -0.300 3.661 3.960 0.002 0.000 0.280 781 G C -0.645 174.565 174.900 0.517 0.000 1.067 781 G CA -0.286 44.977 45.100 0.272 0.000 0.902 781 G HN 0.192 nan 8.290 nan 0.000 0.500 782 Y N 0.117 120.615 120.300 0.330 0.000 2.334 782 Y HA 0.631 5.182 4.550 0.002 0.000 0.336 782 Y C 0.595 176.687 175.900 0.321 0.000 0.960 782 Y CA -1.826 56.495 58.100 0.369 0.000 1.164 782 Y CB 1.964 40.692 38.460 0.446 0.000 1.155 782 Y HN 0.191 nan 8.280 nan 0.000 0.478 783 S N 4.912 120.798 115.700 0.310 0.000 2.642 783 S HA 0.178 4.649 4.470 0.002 0.000 0.309 783 S C 1.574 176.149 174.600 -0.043 0.000 1.125 783 S CA -0.501 57.775 58.200 0.126 0.000 1.055 783 S CB -0.130 63.121 63.200 0.085 0.000 1.157 783 S HN 0.852 nan 8.310 nan 0.000 0.513 784 R N 3.204 123.568 120.500 -0.227 0.000 2.140 784 R HA -0.168 4.173 4.340 0.002 0.000 0.250 784 R C 0.781 176.855 176.300 -0.376 0.000 1.150 784 R CA 2.401 58.114 56.100 -0.645 0.000 0.966 784 R CB -0.211 29.440 30.300 -1.081 0.000 0.869 784 R HN 0.594 nan 8.270 nan 0.000 0.445 785 D N -0.148 120.106 120.400 -0.243 0.000 2.309 785 D HA -0.114 4.527 4.640 0.002 0.000 0.212 785 D C 0.656 176.870 176.300 -0.144 0.000 0.968 785 D CA 1.079 54.975 54.000 -0.172 0.000 0.882 785 D CB 0.021 40.755 40.800 -0.110 0.000 0.918 785 D HN 0.408 nan 8.370 nan 0.000 0.503 786 D N -0.747 119.571 120.400 -0.137 0.000 2.479 786 D HA -0.015 4.626 4.640 0.002 0.000 0.221 786 D C 2.059 178.251 176.300 -0.180 0.000 1.104 786 D CA 0.188 54.124 54.000 -0.106 0.000 0.849 786 D CB 0.766 41.549 40.800 -0.028 0.000 1.072 786 D HN 0.153 nan 8.370 nan 0.000 0.502 787 V N -0.811 118.912 119.914 -0.318 0.000 3.380 787 V HA 0.200 4.321 4.120 0.002 0.000 0.268 787 V C 2.092 177.651 176.094 -0.892 0.000 1.168 787 V CA 1.304 63.127 62.300 -0.796 0.000 1.156 787 V CB -0.907 30.338 31.823 -0.962 0.000 0.785 787 V HN 0.053 nan 8.190 nan 0.000 0.487 788 G N 0.738 109.253 108.800 -0.476 0.000 2.479 788 G HA2 -0.213 3.748 3.960 0.002 0.000 0.220 788 G HA3 -0.213 3.748 3.960 0.002 0.000 0.220 788 G C 1.527 176.241 174.900 -0.310 0.000 1.115 788 G CA 0.817 45.706 45.100 -0.352 0.000 0.757 788 G HN 0.580 nan 8.290 nan 0.000 0.560 789 K N -0.549 119.680 120.400 -0.285 0.000 2.365 789 K HA 0.075 4.396 4.320 0.002 0.000 0.199 789 K C 1.344 177.902 176.600 -0.069 0.000 1.045 789 K CA 0.975 57.187 56.287 -0.125 0.000 0.962 789 K CB -0.047 32.439 32.500 -0.023 0.000 0.759 789 K HN 0.654 nan 8.250 nan 0.000 0.469 790 F N -3.706 116.111 119.950 -0.222 0.000 2.925 790 F HA 0.296 4.823 4.527 0.001 0.000 0.355 790 F C 1.035 176.619 175.800 -0.360 0.000 1.073 790 F CA -0.561 57.267 58.000 -0.287 0.000 1.127 790 F CB -0.061 38.694 39.000 -0.409 0.000 1.123 790 F HN -0.269 nan 8.300 nan 0.000 0.551 791 I N 2.587 122.745 120.570 -0.687 0.000 2.163 791 I HA -0.099 4.072 4.170 0.002 0.000 0.243 791 I C -0.420 175.655 176.117 -0.071 0.000 1.085 791 I CA 1.112 62.184 61.300 -0.380 0.000 1.347 791 I CB -2.254 35.526 38.000 -0.367 0.000 1.044 791 I HN 0.092 nan 8.210 nan 0.000 0.408 792 P HA -0.101 nan 4.420 nan 0.000 0.216 792 P C 2.243 179.585 177.300 0.069 0.000 1.150 792 P CA 1.083 64.184 63.100 0.002 0.000 0.837 792 P CB 0.080 31.768 31.700 -0.021 0.000 0.786 793 V N -1.593 118.383 119.914 0.104 0.000 2.307 793 V HA -0.254 3.867 4.120 0.002 0.000 0.245 793 V C 2.207 178.480 176.094 0.298 0.000 1.045 793 V CA 1.714 64.121 62.300 0.178 0.000 1.024 793 V CB -1.386 30.558 31.823 0.203 0.000 0.651 793 V HN 0.026 nan 8.190 nan 0.000 0.449 794 Y N 0.075 120.447 120.300 0.121 0.000 2.165 794 Y HA -0.163 4.388 4.550 0.002 0.000 0.286 794 Y C 2.301 178.242 175.900 0.069 0.000 1.155 794 Y CA 0.936 59.110 58.100 0.123 0.000 1.164 794 Y CB -0.820 37.763 38.460 0.205 0.000 0.978 794 Y HN 0.171 nan 8.280 nan 0.000 0.513 795 L N -1.204 120.145 121.223 0.211 0.000 2.056 795 L HA -0.180 4.161 4.340 0.002 0.000 0.207 795 L C 2.581 179.490 176.870 0.064 0.000 1.078 795 L CA 1.127 56.028 54.840 0.101 0.000 0.749 795 L CB -0.740 41.360 42.059 0.069 0.000 0.901 795 L HN 0.134 nan 8.230 nan 0.000 0.433 796 A N -0.871 121.994 122.820 0.074 0.000 2.014 796 A HA -0.168 4.153 4.320 0.002 0.000 0.218 796 A C 2.045 179.653 177.584 0.040 0.000 1.163 796 A CA 1.094 53.161 52.037 0.049 0.000 0.652 796 A CB -0.239 18.791 19.000 0.051 0.000 0.808 796 A HN 0.484 nan 8.150 nan 0.000 0.449 797 Q N -1.603 118.229 119.800 0.053 0.000 2.280 797 Q HA 0.274 4.615 4.340 0.002 0.000 0.201 797 Q C 1.004 176.999 176.000 -0.008 0.000 0.890 797 Q CA 0.279 56.096 55.803 0.023 0.000 0.947 797 Q CB 0.288 29.044 28.738 0.029 0.000 1.081 797 Q HN 0.818 nan 8.270 nan 0.000 0.502 798 G N 1.041 109.838 108.800 -0.004 0.000 2.162 798 G HA2 -0.301 3.660 3.960 0.002 0.000 0.260 798 G HA3 -0.301 3.660 3.960 0.002 0.000 0.260 798 G C 0.724 175.596 174.900 -0.046 0.000 0.976 798 G CA 0.417 45.500 45.100 -0.028 0.000 0.655 798 G HN 0.422 nan 8.290 nan 0.000 0.533 799 I N -0.383 120.148 120.570 -0.065 0.000 2.353 799 I HA 0.139 4.310 4.170 0.002 0.000 0.248 799 I C 1.392 177.485 176.117 -0.040 0.000 1.119 799 I CA 1.048 62.262 61.300 -0.143 0.000 1.417 799 I CB -0.064 37.679 38.000 -0.428 0.000 1.078 799 I HN 0.141 nan 8.210 nan 0.000 0.421 800 L N -0.475 120.778 121.223 0.049 0.000 2.354 800 L HA 0.188 4.529 4.340 0.002 0.000 0.269 800 L C 0.881 177.754 176.870 0.005 0.000 1.005 800 L CA -0.180 54.720 54.840 0.099 0.000 0.819 800 L CB 2.074 44.262 42.059 0.215 0.000 1.311 800 L HN -0.200 nan 8.230 nan 0.000 0.423 801 Q N 1.198 120.964 119.800 -0.057 0.000 2.204 801 Q HA 0.096 4.437 4.340 0.002 0.000 0.198 801 Q C 0.163 175.874 176.000 -0.483 0.000 0.946 801 Q CA 0.863 56.511 55.803 -0.260 0.000 0.859 801 Q CB 0.309 28.889 28.738 -0.264 0.000 0.946 801 Q HN 0.658 nan 8.270 nan 0.000 0.474 802 H N -0.908 118.178 119.070 0.027 0.000 3.008 802 H HA 0.341 4.898 4.556 0.001 0.000 0.354 802 H C -1.531 173.798 175.328 0.002 0.000 1.252 802 H CA -0.688 55.369 56.048 0.014 0.000 1.117 802 H CB 1.297 31.058 29.762 -0.002 0.000 1.857 802 H HN 0.269 nan 8.280 nan 0.000 0.547 803 D N 2.625 123.112 120.400 0.145 0.000 2.358 803 D HA 0.044 4.685 4.640 0.002 0.000 0.258 803 D C -1.603 174.690 176.300 -0.012 0.000 1.223 803 D CA -1.734 52.303 54.000 0.061 0.000 0.886 803 D CB 1.237 42.089 40.800 0.087 0.000 1.120 803 D HN 0.150 nan 8.370 nan 0.000 0.482 804 P HA -0.094 nan 4.420 nan 0.000 0.222 804 P C 1.028 178.184 177.300 -0.240 0.000 1.147 804 P CA 0.787 63.639 63.100 -0.413 0.000 0.790 804 P CB -0.035 30.988 31.700 -1.129 0.000 0.780 805 F N 0.066 120.031 119.950 0.024 0.000 2.615 805 F HA 0.047 4.575 4.527 0.002 0.000 0.297 805 F C 2.157 177.931 175.800 -0.044 0.000 1.124 805 F CA 0.855 58.849 58.000 -0.009 0.000 1.451 805 F CB -0.527 38.432 39.000 -0.068 0.000 1.103 805 F HN 0.000 nan 8.300 nan 0.000 0.569 806 E N -0.704 119.616 120.200 0.201 0.000 2.244 806 E HA 0.136 4.487 4.350 0.002 0.000 0.196 806 E C -0.123 176.608 176.600 0.219 0.000 0.939 806 E CA 0.446 56.931 56.400 0.143 0.000 0.884 806 E CB 0.520 30.273 29.700 0.087 0.000 0.850 806 E HN -0.020 nan 8.360 nan 0.000 0.481 807 V N 2.764 122.769 119.914 0.150 0.000 2.407 807 V HA 0.147 4.268 4.120 0.002 0.000 0.291 807 V C -0.408 175.597 176.094 -0.148 0.000 1.018 807 V CA -0.836 61.450 62.300 -0.023 0.000 0.842 807 V CB 1.627 33.323 31.823 -0.210 0.000 0.996 807 V HN 0.159 nan 8.190 nan 0.000 0.426 808 L N 4.157 125.083 121.223 -0.496 0.000 2.601 808 L HA 0.088 4.429 4.340 0.002 0.000 0.277 808 L C 0.480 177.082 176.870 -0.447 0.000 1.219 808 L CA 0.605 54.986 54.840 -0.765 0.000 0.915 808 L CB 0.174 41.686 42.059 -0.911 0.000 1.160 808 L HN 0.836 nan 8.230 nan 0.000 0.494 809 D N 3.708 123.929 120.400 -0.297 0.000 2.435 809 D HA 0.062 4.703 4.640 0.002 0.000 0.230 809 D C 0.900 177.016 176.300 -0.307 0.000 1.215 809 D CA 0.176 54.089 54.000 -0.145 0.000 0.947 809 D CB 0.609 41.504 40.800 0.158 0.000 1.048 809 D HN 0.702 nan 8.370 nan 0.000 0.512 810 Q N 1.985 121.531 119.800 -0.424 0.000 2.124 810 Q HA -0.213 4.128 4.340 0.002 0.000 0.202 810 Q C 1.653 177.486 176.000 -0.279 0.000 0.977 810 Q CA 0.966 56.408 55.803 -0.601 0.000 0.850 810 Q CB 0.068 28.520 28.738 -0.477 0.000 0.901 810 Q HN 0.307 nan 8.270 nan 0.000 0.429 811 R N 0.278 120.683 120.500 -0.157 0.000 2.073 811 R HA -0.070 4.271 4.340 0.002 0.000 0.229 811 R C 1.786 178.019 176.300 -0.111 0.000 1.120 811 R CA 1.843 57.887 56.100 -0.093 0.000 0.967 811 R CB -0.646 29.610 30.300 -0.073 0.000 0.862 811 R HN 0.272 nan 8.270 nan 0.000 0.436 812 G N -1.134 107.574 108.800 -0.153 0.000 2.726 812 G HA2 -0.024 3.937 3.960 0.002 0.000 0.221 812 G HA3 -0.024 3.937 3.960 0.002 0.000 0.221 812 G C 1.240 176.051 174.900 -0.149 0.000 1.327 812 G CA 0.325 45.312 45.100 -0.189 0.000 0.884 812 G HN 0.115 nan 8.290 nan 0.000 0.581 813 V N 2.048 121.881 119.914 -0.135 0.000 2.324 813 V HA -0.110 4.011 4.120 0.002 0.000 0.250 813 V C 3.125 179.151 176.094 -0.114 0.000 1.060 813 V CA 2.204 64.455 62.300 -0.082 0.000 1.042 813 V CB -1.087 30.719 31.823 -0.029 0.000 0.650 813 V HN 0.457 nan 8.190 nan 0.000 0.450 814 G N -0.662 107.996 108.800 -0.236 0.000 2.432 814 G HA2 -0.288 3.673 3.960 0.002 0.000 0.219 814 G HA3 -0.288 3.673 3.960 0.002 0.000 0.219 814 G C 1.495 176.453 174.900 0.097 0.000 1.135 814 G CA 0.957 45.904 45.100 -0.254 0.000 0.767 814 G HN 0.522 nan 8.290 nan 0.000 0.550 815 E N 0.346 120.569 120.200 0.038 0.000 2.106 815 E HA 0.014 4.365 4.350 0.002 0.000 0.192 815 E C 2.521 179.201 176.600 0.134 0.000 0.984 815 E CA 0.568 57.025 56.400 0.095 0.000 0.806 815 E CB -0.332 29.382 29.700 0.023 0.000 0.750 815 E HN 0.455 nan 8.360 nan 0.000 0.458 816 L N -0.778 120.496 121.223 0.084 0.000 2.156 816 L HA -0.094 4.247 4.340 0.002 0.000 0.208 816 L C 2.298 179.297 176.870 0.216 0.000 1.095 816 L CA 0.465 55.393 54.840 0.147 0.000 0.770 816 L CB -0.269 41.844 42.059 0.091 0.000 0.914 816 L HN 0.063 nan 8.230 nan 0.000 0.439 817 V N 0.139 120.091 119.914 0.064 0.000 2.358 817 V HA -0.276 3.845 4.120 0.002 0.000 0.246 817 V C 2.472 178.638 176.094 0.121 0.000 1.047 817 V CA 1.750 63.947 62.300 -0.173 0.000 1.035 817 V CB -0.417 31.207 31.823 -0.331 0.000 0.658 817 V HN 0.417 nan 8.190 nan 0.000 0.452 818 K N -0.839 119.677 120.400 0.193 0.000 2.025 818 K HA -0.172 4.149 4.320 0.002 0.000 0.207 818 K C 2.106 178.834 176.600 0.214 0.000 1.049 818 K CA 1.798 58.193 56.287 0.180 0.000 0.933 818 K CB -0.368 32.229 32.500 0.161 0.000 0.714 818 K HN 0.402 nan 8.250 nan 0.000 0.438 819 F N 1.770 121.798 119.950 0.131 0.000 2.095 819 F HA -0.242 4.285 4.527 0.000 0.000 0.298 819 F C 2.245 178.157 175.800 0.187 0.000 1.104 819 F CA 1.589 59.666 58.000 0.129 0.000 1.232 819 F CB -0.369 38.692 39.000 0.102 0.000 0.987 819 F HN -0.006 nan 8.300 nan 0.000 0.475 820 A N -0.689 122.378 122.820 0.411 0.000 1.902 820 A HA -0.177 4.144 4.320 0.002 0.000 0.217 820 A C 2.182 179.999 177.584 0.388 0.000 1.181 820 A CA 2.289 54.573 52.037 0.413 0.000 0.623 820 A CB -1.424 17.916 19.000 0.567 0.000 0.818 820 A HN 0.447 nan 8.150 nan 0.000 0.443 821 T N 0.098 114.900 114.554 0.414 0.000 2.708 821 T HA -0.147 4.204 4.350 0.002 0.000 0.266 821 T C 1.778 176.530 174.700 0.087 0.000 1.037 821 T CA 1.712 63.989 62.100 0.295 0.000 1.146 821 T CB -0.296 68.741 68.868 0.282 0.000 0.865 821 T HN 0.671 nan 8.240 nan 0.000 0.435 822 E N 0.589 120.796 120.200 0.012 0.000 2.051 822 E HA -0.112 4.239 4.350 0.002 0.000 0.192 822 E C 2.680 179.198 176.600 -0.136 0.000 0.991 822 E CA 0.716 57.069 56.400 -0.077 0.000 0.799 822 E CB -0.040 29.591 29.700 -0.115 0.000 0.748 822 E HN 0.162 nan 8.360 nan 0.000 0.449 823 R N 0.159 120.521 120.500 -0.231 0.000 2.092 823 R HA -0.047 4.294 4.340 0.002 0.000 0.231 823 R C 2.389 178.644 176.300 -0.074 0.000 1.119 823 R CA 1.217 57.192 56.100 -0.209 0.000 0.970 823 R CB -1.058 29.043 30.300 -0.332 0.000 0.864 823 R HN 0.284 nan 8.270 nan 0.000 0.440 824 G N 1.119 109.915 108.800 -0.007 0.000 2.418 824 G HA2 -0.239 3.722 3.960 0.002 0.000 0.217 824 G HA3 -0.239 3.722 3.960 0.002 0.000 0.217 824 G C 1.560 176.347 174.900 -0.188 0.000 1.158 824 G CA 0.164 45.204 45.100 -0.099 0.000 0.771 824 G HN 0.232 nan 8.290 nan 0.000 0.545 825 R N 0.356 120.768 120.500 -0.147 0.000 2.148 825 R HA 0.026 4.367 4.340 0.002 0.000 0.227 825 R C 2.498 178.745 176.300 -0.089 0.000 1.103 825 R CA 0.860 56.887 56.100 -0.123 0.000 0.983 825 R CB -0.184 30.065 30.300 -0.084 0.000 0.874 825 R HN 0.353 nan 8.270 nan 0.000 0.451 826 K N 0.275 120.628 120.400 -0.079 0.000 2.097 826 K HA -0.041 4.280 4.320 0.002 0.000 0.205 826 K C 2.091 178.659 176.600 -0.053 0.000 1.050 826 K CA 1.290 57.541 56.287 -0.060 0.000 0.938 826 K CB -0.021 32.443 32.500 -0.060 0.000 0.718 826 K HN 0.091 nan 8.250 nan 0.000 0.442 827 A N 1.244 124.029 122.820 -0.058 0.000 1.898 827 A HA -0.074 4.247 4.320 0.002 0.000 0.214 827 A C 1.322 178.871 177.584 -0.059 0.000 1.183 827 A CA 0.774 52.783 52.037 -0.046 0.000 0.622 827 A CB 0.007 18.988 19.000 -0.033 0.000 0.824 827 A HN 0.151 nan 8.150 nan 0.000 0.444 828 R N -0.291 120.155 120.500 -0.090 0.000 2.487 828 R HA 0.309 4.650 4.340 0.002 0.000 0.288 828 R C -2.509 173.733 176.300 -0.097 0.000 1.394 828 R CA -1.750 54.294 56.100 -0.092 0.000 1.155 828 R CB 0.985 31.214 30.300 -0.120 0.000 1.156 828 R HN 0.043 nan 8.270 nan 0.000 0.553 829 P HA -0.224 nan 4.420 nan 0.000 0.218 829 P C 0.289 177.555 177.300 -0.057 0.000 1.154 829 P CA 1.428 64.493 63.100 -0.058 0.000 0.872 829 P CB 0.151 31.826 31.700 -0.042 0.000 0.790 830 N N -0.805 117.862 118.700 -0.054 0.000 2.295 830 N HA 0.011 4.752 4.740 0.002 0.000 0.221 830 N C 0.053 175.534 175.510 -0.048 0.000 1.129 830 N CA -0.259 52.766 53.050 -0.041 0.000 0.836 830 N CB -0.927 37.542 38.487 -0.030 0.000 1.040 830 N HN 0.075 nan 8.380 nan 0.000 0.494 831 L N 1.367 122.533 121.223 -0.095 0.000 2.584 831 L HA 0.070 4.411 4.340 0.002 0.000 0.272 831 L C -0.058 176.770 176.870 -0.070 0.000 1.195 831 L CA 0.326 55.080 54.840 -0.144 0.000 0.920 831 L CB 0.293 42.153 42.059 -0.332 0.000 1.173 831 L HN -0.045 nan 8.230 nan 0.000 0.489 832 K N 5.008 125.427 120.400 0.032 0.000 2.297 832 K HA 0.377 4.698 4.320 0.002 0.000 0.286 832 K C -0.950 175.749 176.600 0.165 0.000 1.053 832 K CA -0.235 56.135 56.287 0.138 0.000 0.940 832 K CB 1.204 33.839 32.500 0.225 0.000 1.019 832 K HN 0.462 nan 8.250 nan 0.000 0.475 833 V N 1.731 121.705 119.914 0.101 0.000 2.540 833 V HA 0.728 4.849 4.120 0.002 0.000 0.302 833 V C 0.554 176.522 176.094 -0.211 0.000 1.035 833 V CA -0.799 61.540 62.300 0.064 0.000 0.873 833 V CB 1.829 33.730 31.823 0.130 0.000 0.992 833 V HN 0.925 nan 8.190 nan 0.000 0.428 834 G N 3.355 111.917 108.800 -0.396 0.000 2.827 834 G HA2 0.792 4.753 3.960 0.002 0.000 0.296 834 G HA3 0.792 4.753 3.960 0.002 0.000 0.296 834 G C -1.818 172.881 174.900 -0.335 0.000 1.362 834 G CA -0.495 43.995 45.100 -1.017 0.000 0.809 834 G HN 0.598 nan 8.290 nan 0.000 0.522 835 I N -0.798 119.548 120.570 -0.374 0.000 2.722 835 I HA 0.601 4.772 4.170 0.002 0.000 0.295 835 I C -1.486 174.618 176.117 -0.022 0.000 1.161 835 I CA -0.610 60.592 61.300 -0.163 0.000 1.032 835 I CB 1.655 39.278 38.000 -0.627 0.000 1.244 835 I HN 0.553 nan 8.210 nan 0.000 0.421 836 C N 5.757 125.108 119.300 0.085 0.000 2.364 836 C HA 0.996 5.457 4.460 0.002 0.000 0.324 836 C C 0.383 175.443 174.990 0.117 0.000 1.234 836 C CA -0.181 58.911 59.018 0.122 0.000 1.417 836 C CB -0.009 27.818 27.740 0.145 0.000 2.101 836 C HN 1.109 nan 8.230 nan 0.000 0.466 837 G N 2.713 111.581 108.800 0.114 0.000 2.368 837 G HA2 0.169 4.130 3.960 0.002 0.000 0.302 837 G HA3 0.169 4.130 3.960 0.002 0.000 0.302 837 G C 0.218 175.177 174.900 0.099 0.000 1.329 837 G CA 0.136 45.293 45.100 0.095 0.000 0.935 837 G HN 0.706 nan 8.290 nan 0.000 0.590 838 E N -0.925 119.297 120.200 0.036 0.000 2.204 838 E HA -0.171 4.180 4.350 0.002 0.000 0.195 838 E C 1.493 178.180 176.600 0.145 0.000 0.990 838 E CA 1.651 58.082 56.400 0.050 0.000 0.821 838 E CB -0.292 29.399 29.700 -0.015 0.000 0.750 838 E HN 0.763 nan 8.360 nan 0.000 0.477 839 H N 0.336 119.514 119.070 0.181 0.000 2.456 839 H HA -0.011 4.546 4.556 0.002 0.000 0.296 839 H C 2.141 177.676 175.328 0.344 0.000 1.079 839 H CA 0.508 56.708 56.048 0.252 0.000 1.322 839 H CB 0.053 30.020 29.762 0.342 0.000 1.388 839 H HN 0.390 nan 8.280 nan 0.000 0.538 840 G N -0.500 108.522 108.800 0.369 0.000 2.776 840 G HA2 -0.067 3.894 3.960 0.002 0.000 0.209 840 G HA3 -0.067 3.894 3.960 0.002 0.000 0.209 840 G C 1.370 176.412 174.900 0.237 0.000 1.145 840 G CA 0.660 45.928 45.100 0.279 0.000 0.791 840 G HN 0.461 nan 8.290 nan 0.000 0.530 841 G N -0.930 108.000 108.800 0.217 0.000 3.441 841 G HA2 0.219 4.180 3.960 0.002 0.000 0.263 841 G HA3 0.219 4.180 3.960 0.002 0.000 0.263 841 G C 0.082 175.076 174.900 0.157 0.000 1.014 841 G CA -0.182 45.020 45.100 0.171 0.000 0.833 841 G HN 0.246 nan 8.290 nan 0.000 0.514 842 E N 1.387 121.694 120.200 0.178 0.000 2.109 842 E HA 0.292 4.643 4.350 0.002 0.000 0.278 842 E C -1.753 174.909 176.600 0.104 0.000 0.954 842 E CA -2.185 54.293 56.400 0.129 0.000 0.779 842 E CB 2.250 32.034 29.700 0.140 0.000 1.093 842 E HN -0.087 nan 8.360 nan 0.000 0.401 843 P HA -0.281 nan 4.420 nan 0.000 0.218 843 P C 1.422 178.742 177.300 0.033 0.000 1.165 843 P CA 2.545 65.683 63.100 0.063 0.000 0.922 843 P CB 0.090 31.821 31.700 0.051 0.000 0.794 844 S N -1.808 113.887 115.700 -0.008 0.000 2.399 844 S HA -0.126 4.345 4.470 0.002 0.000 0.231 844 S C 2.038 176.590 174.600 -0.079 0.000 1.022 844 S CA 1.787 59.962 58.200 -0.042 0.000 0.983 844 S CB -1.404 61.742 63.200 -0.089 0.000 0.803 844 S HN 0.058 nan 8.310 nan 0.000 0.480 845 S N 1.271 116.908 115.700 -0.105 0.000 2.371 845 S HA 0.030 4.501 4.470 0.002 0.000 0.224 845 S C 1.961 176.419 174.600 -0.237 0.000 1.029 845 S CA 1.109 59.149 58.200 -0.267 0.000 0.978 845 S CB -0.600 62.513 63.200 -0.144 0.000 0.833 845 S HN 0.421 nan 8.310 nan 0.000 0.466 846 V N 2.248 122.212 119.914 0.083 0.000 2.332 846 V HA -0.225 3.896 4.120 0.002 0.000 0.248 846 V C 2.648 178.818 176.094 0.125 0.000 1.055 846 V CA 1.716 64.159 62.300 0.238 0.000 1.038 846 V CB -1.197 30.753 31.823 0.211 0.000 0.651 846 V HN 0.538 nan 8.190 nan 0.000 0.450 847 A N -0.506 122.345 122.820 0.053 0.000 1.902 847 A HA -0.253 4.068 4.320 0.002 0.000 0.217 847 A C 2.111 179.694 177.584 -0.002 0.000 1.181 847 A CA 2.080 54.138 52.037 0.034 0.000 0.623 847 A CB -0.709 18.308 19.000 0.028 0.000 0.818 847 A HN 0.559 nan 8.150 nan 0.000 0.443 848 F N -0.216 119.611 119.950 -0.204 0.000 2.102 848 F HA -0.149 4.379 4.527 0.002 0.000 0.298 848 F C 1.858 177.538 175.800 -0.201 0.000 1.105 848 F CA 1.699 59.540 58.000 -0.264 0.000 1.239 848 F CB -0.350 38.377 39.000 -0.454 0.000 0.991 848 F HN 0.200 nan 8.300 nan 0.000 0.474 849 F N 0.900 120.894 119.950 0.073 0.000 2.126 849 F HA -0.141 4.387 4.527 0.001 0.000 0.299 849 F C 2.637 178.370 175.800 -0.112 0.000 1.096 849 F CA 1.030 59.014 58.000 -0.027 0.000 1.255 849 F CB -1.730 37.314 39.000 0.072 0.000 0.997 849 F HN 0.102 nan 8.300 nan 0.000 0.479 850 A N 0.167 123.045 122.820 0.096 0.000 1.858 850 A HA -0.223 4.098 4.320 0.002 0.000 0.216 850 A C 2.254 179.806 177.584 -0.052 0.000 1.190 850 A CA 1.831 53.889 52.037 0.036 0.000 0.617 850 A CB -0.713 18.312 19.000 0.043 0.000 0.827 850 A HN 0.352 nan 8.150 nan 0.000 0.443 851 K N -0.315 120.006 120.400 -0.131 0.000 2.209 851 K HA 0.014 4.335 4.320 0.002 0.000 0.204 851 K C 1.903 178.356 176.600 -0.246 0.000 1.048 851 K CA 0.915 57.097 56.287 -0.175 0.000 0.940 851 K CB -0.243 32.137 32.500 -0.200 0.000 0.729 851 K HN 0.444 nan 8.250 nan 0.000 0.451 852 A N 0.491 123.089 122.820 -0.371 0.000 2.206 852 A HA 0.148 4.469 4.320 0.002 0.000 0.211 852 A C 1.409 178.922 177.584 -0.118 0.000 1.158 852 A CA 0.880 52.713 52.037 -0.339 0.000 0.761 852 A CB -0.316 18.380 19.000 -0.507 0.000 0.801 852 A HN 0.405 nan 8.150 nan 0.000 0.473 853 G N -1.773 106.985 108.800 -0.071 0.000 2.132 853 G HA2 -0.166 3.795 3.960 0.002 0.000 0.234 853 G HA3 -0.166 3.795 3.960 0.002 0.000 0.234 853 G C -0.058 174.854 174.900 0.021 0.000 0.989 853 G CA 0.165 45.255 45.100 -0.017 0.000 0.676 853 G HN 0.331 nan 8.290 nan 0.000 0.522 854 L N 0.710 121.958 121.223 0.042 0.000 2.472 854 L HA 0.371 4.712 4.340 0.002 0.000 0.260 854 L C 1.550 178.435 176.870 0.024 0.000 1.209 854 L CA 0.546 55.411 54.840 0.040 0.000 0.817 854 L CB 0.454 42.530 42.059 0.027 0.000 1.106 854 L HN 0.137 nan 8.230 nan 0.000 0.479 855 D N -0.429 119.975 120.400 0.006 0.000 2.271 855 D HA 0.017 4.658 4.640 0.002 0.000 0.206 855 D C -0.497 175.911 176.300 0.180 0.000 0.967 855 D CA 1.041 55.099 54.000 0.097 0.000 0.867 855 D CB 0.492 41.400 40.800 0.179 0.000 0.960 855 D HN 0.498 nan 8.370 nan 0.000 0.509 856 Y N -1.391 118.935 120.300 0.044 0.000 2.713 856 Y HA 0.446 4.997 4.550 0.002 0.000 0.335 856 Y C -1.350 174.559 175.900 0.016 0.000 1.222 856 Y CA -1.610 56.508 58.100 0.030 0.000 1.061 856 Y CB 0.831 39.295 38.460 0.007 0.000 1.314 856 Y HN -0.243 nan 8.280 nan 0.000 0.453 857 V N -0.883 119.159 119.914 0.213 0.000 2.914 857 V HA 0.912 5.033 4.120 0.002 0.000 0.314 857 V C -0.749 175.496 176.094 0.253 0.000 1.084 857 V CA -0.550 61.817 62.300 0.112 0.000 0.963 857 V CB 1.455 33.349 31.823 0.118 0.000 1.025 857 V HN 1.062 nan 8.190 nan 0.000 0.432 858 S N 1.439 117.255 115.700 0.194 0.000 2.619 858 S HA 0.828 5.299 4.470 0.002 0.000 0.280 858 S C -0.501 174.182 174.600 0.137 0.000 1.150 858 S CA -0.037 58.268 58.200 0.176 0.000 0.978 858 S CB 0.684 64.005 63.200 0.202 0.000 1.041 858 S HN 1.803 nan 8.310 nan 0.000 0.485 859 C N 2.229 121.603 119.300 0.124 0.000 3.321 859 C HA 0.930 5.391 4.460 0.002 0.000 0.363 859 C C 0.541 175.600 174.990 0.116 0.000 1.705 859 C CA -0.614 58.478 59.018 0.122 0.000 1.298 859 C CB 0.597 28.416 27.740 0.133 0.000 2.086 859 C HN 0.893 nan 8.230 nan 0.000 0.438 860 S N 0.982 116.758 115.700 0.127 0.000 2.573 860 S HA 0.314 4.785 4.470 0.002 0.000 0.277 860 S C -1.557 173.123 174.600 0.132 0.000 1.346 860 S CA -0.043 58.246 58.200 0.148 0.000 1.034 860 S CB 0.080 63.385 63.200 0.175 0.000 0.879 860 S HN 0.732 nan 8.310 nan 0.000 0.528 861 P HA -0.145 nan 4.420 nan 0.000 0.216 861 P C 0.821 178.066 177.300 -0.092 0.000 1.154 861 P CA 1.469 64.554 63.100 -0.025 0.000 0.865 861 P CB -0.123 31.533 31.700 -0.073 0.000 0.789 862 F N -1.214 118.801 119.950 0.109 0.000 2.789 862 F HA 0.064 4.592 4.527 0.002 0.000 0.300 862 F C 2.120 177.971 175.800 0.085 0.000 1.132 862 F CA 0.511 58.569 58.000 0.098 0.000 1.404 862 F CB -0.040 39.054 39.000 0.157 0.000 1.114 862 F HN -0.245 nan 8.300 nan 0.000 0.584 863 R N -0.653 119.985 120.500 0.231 0.000 2.280 863 R HA 0.100 4.441 4.340 0.002 0.000 0.195 863 R C 2.171 178.547 176.300 0.127 0.000 0.935 863 R CA 0.319 56.524 56.100 0.175 0.000 1.033 863 R CB -0.825 29.571 30.300 0.160 0.000 0.964 863 R HN 0.174 nan 8.270 nan 0.000 0.489 864 V N 2.566 122.536 119.914 0.093 0.000 2.231 864 V HA -0.213 3.908 4.120 0.002 0.000 0.248 864 V C -0.770 175.366 176.094 0.070 0.000 1.054 864 V CA 2.272 64.611 62.300 0.066 0.000 1.015 864 V CB -1.241 30.593 31.823 0.019 0.000 0.638 864 V HN 0.193 nan 8.190 nan 0.000 0.444 865 P HA -0.133 nan 4.420 nan 0.000 0.218 865 P C 1.755 179.114 177.300 0.098 0.000 1.148 865 P CA 1.462 64.606 63.100 0.073 0.000 0.822 865 P CB -0.122 31.618 31.700 0.067 0.000 0.784 866 I N -0.144 120.490 120.570 0.105 0.000 2.252 866 I HA -0.148 4.023 4.170 0.002 0.000 0.245 866 I C 2.362 178.548 176.117 0.116 0.000 1.102 866 I CA 1.359 62.727 61.300 0.113 0.000 1.385 866 I CB -1.904 36.164 38.000 0.114 0.000 1.064 866 I HN -0.075 nan 8.210 nan 0.000 0.414 867 A N 0.955 123.845 122.820 0.117 0.000 1.902 867 A HA -0.194 4.127 4.320 0.002 0.000 0.217 867 A C 2.494 180.145 177.584 0.112 0.000 1.181 867 A CA 1.241 53.353 52.037 0.125 0.000 0.623 867 A CB -0.554 18.526 19.000 0.132 0.000 0.818 867 A HN 0.294 nan 8.150 nan 0.000 0.443 868 R N -1.176 119.382 120.500 0.096 0.000 2.080 868 R HA -0.166 4.175 4.340 0.002 0.000 0.236 868 R C 2.172 178.520 176.300 0.081 0.000 1.137 868 R CA 1.619 57.766 56.100 0.078 0.000 0.943 868 R CB -0.723 29.614 30.300 0.061 0.000 0.846 868 R HN 0.506 nan 8.270 nan 0.000 0.431 869 L N 0.800 122.084 121.223 0.103 0.000 1.989 869 L HA -0.147 4.194 4.340 0.002 0.000 0.211 869 L C 2.284 179.220 176.870 0.111 0.000 1.071 869 L CA 2.181 57.097 54.840 0.125 0.000 0.749 869 L CB -0.743 41.424 42.059 0.180 0.000 0.890 869 L HN 0.152 nan 8.230 nan 0.000 0.431 870 A N -0.528 122.357 122.820 0.109 0.000 1.933 870 A HA -0.075 4.246 4.320 0.002 0.000 0.218 870 A C 2.418 180.056 177.584 0.089 0.000 1.175 870 A CA 1.699 53.795 52.037 0.098 0.000 0.628 870 A CB -1.208 17.853 19.000 0.101 0.000 0.814 870 A HN 0.604 nan 8.150 nan 0.000 0.444 871 A N -0.545 122.331 122.820 0.093 0.000 2.070 871 A HA 0.208 4.529 4.320 0.002 0.000 0.220 871 A C 2.304 179.924 177.584 0.061 0.000 1.159 871 A CA 1.930 54.017 52.037 0.084 0.000 0.656 871 A CB -0.606 18.448 19.000 0.090 0.000 0.800 871 A HN 0.936 nan 8.150 nan 0.000 0.453 872 A N -0.887 121.967 122.820 0.056 0.000 1.887 872 A HA -0.019 4.302 4.320 0.002 0.000 0.212 872 A C 2.027 179.637 177.584 0.043 0.000 1.198 872 A CA 1.030 53.090 52.037 0.039 0.000 0.628 872 A CB -0.417 18.596 19.000 0.022 0.000 0.847 872 A HN 0.548 nan 8.150 nan 0.000 0.449 873 Q N -0.411 119.426 119.800 0.062 0.000 2.226 873 Q HA -0.116 4.225 4.340 0.002 0.000 0.204 873 Q C 1.900 177.929 176.000 0.049 0.000 0.975 873 Q CA 1.431 57.273 55.803 0.065 0.000 0.866 873 Q CB -0.409 28.381 28.738 0.087 0.000 0.915 873 Q HN 0.472 nan 8.270 nan 0.000 0.440 874 V N 0.679 120.620 119.914 0.045 0.000 2.913 874 V HA -0.125 3.996 4.120 0.002 0.000 0.260 874 V C 1.478 177.585 176.094 0.022 0.000 1.098 874 V CA 1.192 63.512 62.300 0.033 0.000 1.121 874 V CB -0.067 31.775 31.823 0.031 0.000 0.714 874 V HN 0.327 nan 8.190 nan 0.000 0.487 875 L N -0.875 120.361 121.223 0.022 0.000 2.640 875 L HA 0.277 4.618 4.340 0.002 0.000 0.230 875 L C 0.589 177.465 176.870 0.010 0.000 1.123 875 L CA -0.124 54.724 54.840 0.012 0.000 0.900 875 L CB 0.625 42.691 42.059 0.012 0.000 1.146 875 L HN 0.112 nan 8.230 nan 0.000 0.484 876 V N 0.000 119.924 119.914 0.016 0.000 2.409 876 V HA 0.000 4.121 4.120 0.002 0.000 0.244 876 V CA 0.000 62.308 62.300 0.014 0.000 1.235 876 V CB 0.000 31.835 31.823 0.019 0.000 1.184 876 V HN 0.000 nan 8.190 nan 0.000 0.556