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 2vzs_1_A DATA FIRST_RESID 42 DATA SEQUENCE LSVGAAAGNA TPIPGYVIQS SAQVSDDSAV SKPGFPTSGW YPVSSRSTVY DATA SEQUENCE AGLLQNGKYA DPFYSTNMQN VPAAQFSVPW WYRTDLNVDD TSSRTYLDFS DATA SEQUENCE GVLSKADVWV NGTKVATKDQ VNGAYTRHDL DITAQVHTGV NSVAFKVYPN DATA SEQUENCE DPNRDLSMGW IDWAQTPPDQ NMGIVRDVLV RRSGAVALRS AHVIQKLNSA DATA SEQUENCE LDHADLTVKA DVRNDSANAV QTTVAGTVAG KPISQTVSLA AKERKTVTFP DATA SEQUENCE LVGLDRPNVW WPAGMGGQHR YDLDLTASVG GTPSDAAKSK FGVRDVKATL DATA SEQUENCE NSSGGRQYSV NGKPLLIRGG GYTPDLFLRW NETAAADKLK YVLNLGLNTV DATA SEQUENCE RLEGHIEPDE FFDIADDLGV LTMPGWECCD KWEGQVNGEE KGEPWVESDY DATA SEQUENCE PIAKASMFSE AERLRDHPSV ISFHIGSDFA PDRRIEQGYL DAMKAADFLL DATA SEQUENCE PVIPAASARP SPITGASGMK MNGPYDYVPP VYWYDKSQKD RGGAWSFNSE DATA SEQUENCE TSAGVDIPTM DTLKRMMSAS ELDTMWKNPS AKQYHRSSSD TFGNLKLFGD DATA SEQUENCE ALTKRYGASA NLNDFVRKAQ LSQYENVRAE FESHSRNYTD STNPSTGLIY DATA SEQUENCE WMLNSPWTSL HWQLFDAYMD QNGAYYGAKK ANEPLHIQYS HDNRSVVVIN DATA SEQUENCE QTSNAVSGLT ATTKLYNLDG TEKYSNTKTG LSVGALGAKA TAVTVPAVSG DATA SEQUENCE LSTTYLAKNV LTDSSGKEVS RNVYWLSTKA DTLNWGGSDW YYTPQSAFAD DATA SEQUENCE LSGLNNLGQS AVGATANSVA GADGTTTTTV TLKNTSGGRL PAFYVDSKVV DATA SEQUENCE DSAGKPVLPV EWNDNAVSLW PGETTTLTAK YRTADLKGSK PSVRISGWNT DATA SEQUENCE GTQTVPAD 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 42 L HA 0.000 nan 4.340 nan 0.000 0.249 42 L C 0.000 176.885 176.870 0.025 0.000 1.165 42 L CA 0.000 54.850 54.840 0.018 0.000 0.813 42 L CB 0.000 42.064 42.059 0.008 0.000 0.961 43 S N 3.011 118.729 115.700 0.029 0.000 2.462 43 S HA 0.867 5.336 4.470 -0.001 0.000 0.294 43 S C -0.554 174.069 174.600 0.039 0.000 1.144 43 S CA -0.285 57.935 58.200 0.033 0.000 1.088 43 S CB 1.627 64.845 63.200 0.031 0.000 1.009 43 S HN 0.870 nan 8.310 nan 0.000 0.484 44 V N 1.563 121.503 119.914 0.042 0.000 2.448 44 V HA 0.947 5.066 4.120 -0.001 0.000 0.295 44 V C 0.489 176.611 176.094 0.048 0.000 1.025 44 V CA -0.696 61.634 62.300 0.050 0.000 0.859 44 V CB 0.942 32.802 31.823 0.062 0.000 0.988 44 V HN 0.806 nan 8.190 nan 0.000 0.431 45 G N 2.699 111.529 108.800 0.050 0.000 2.634 45 G HA2 0.510 4.470 3.960 -0.001 0.000 0.255 45 G HA3 0.510 4.470 3.960 -0.001 0.000 0.255 45 G C 0.828 175.759 174.900 0.053 0.000 1.205 45 G CA -0.242 44.886 45.100 0.047 0.000 0.884 45 G HN 1.643 nan 8.290 nan 0.000 0.549 46 A N 0.028 122.877 122.820 0.049 0.000 2.218 46 A HA 0.605 4.925 4.320 -0.001 0.000 0.209 46 A C 1.717 179.335 177.584 0.057 0.000 1.168 46 A CA 0.949 53.018 52.037 0.053 0.000 0.804 46 A CB -0.502 18.526 19.000 0.047 0.000 0.834 46 A HN 1.616 nan 8.150 nan 0.000 0.482 47 A N 0.731 123.583 122.820 0.054 0.000 2.580 47 A HA 0.409 4.728 4.320 -0.001 0.000 0.244 47 A C 0.935 178.555 177.584 0.060 0.000 1.045 47 A CA 0.301 52.370 52.037 0.052 0.000 0.761 47 A CB -0.624 18.405 19.000 0.049 0.000 0.962 47 A HN 1.578 nan 8.150 nan 0.000 0.512 48 A N 2.565 125.420 122.820 0.058 0.000 2.580 48 A HA 0.454 4.774 4.320 -0.001 0.000 0.244 48 A C 1.772 179.390 177.584 0.057 0.000 1.045 48 A CA 0.993 53.066 52.037 0.061 0.000 0.761 48 A CB -0.786 18.246 19.000 0.053 0.000 0.962 48 A HN 2.808 nan 8.150 nan 0.000 0.512 49 G N 1.887 110.723 108.800 0.060 0.000 2.195 49 G HA2 -0.276 3.684 3.960 -0.001 0.000 0.246 49 G HA3 -0.276 3.684 3.960 -0.001 0.000 0.246 49 G C 0.422 175.358 174.900 0.061 0.000 0.984 49 G CA 0.221 45.353 45.100 0.053 0.000 0.633 49 G HN 1.176 nan 8.290 nan 0.000 0.525 50 N N 1.130 119.872 118.700 0.070 0.000 2.357 50 N HA 0.386 5.125 4.740 -0.001 0.000 0.257 50 N C -0.018 175.545 175.510 0.087 0.000 1.250 50 N CA 1.197 54.292 53.050 0.076 0.000 0.862 50 N CB 0.560 39.094 38.487 0.079 0.000 1.066 50 N HN 1.181 nan 8.380 nan 0.000 0.468 51 A N 3.288 126.159 122.820 0.086 0.000 2.679 51 A HA 0.351 4.670 4.320 -0.001 0.000 0.288 51 A C -0.751 176.892 177.584 0.099 0.000 1.160 51 A CA -0.704 51.393 52.037 0.099 0.000 0.763 51 A CB 0.681 19.735 19.000 0.090 0.000 1.270 51 A HN 0.537 nan 8.150 nan 0.000 0.417 52 T N 4.701 119.318 114.554 0.106 0.000 2.758 52 T HA 0.591 4.940 4.350 -0.001 0.000 0.285 52 T C -2.821 171.944 174.700 0.109 0.000 0.981 52 T CA -1.189 60.969 62.100 0.097 0.000 0.965 52 T CB 1.360 70.278 68.868 0.084 0.000 0.927 52 T HN 0.401 nan 8.240 nan 0.000 0.448 53 P HA 0.254 nan 4.420 nan 0.000 0.276 53 P C -0.184 177.170 177.300 0.089 0.000 1.230 53 P CA -0.503 62.666 63.100 0.114 0.000 0.776 53 P CB 0.321 32.088 31.700 0.111 0.000 0.888 54 I N 6.069 126.692 120.570 0.089 0.000 2.581 54 I HA 0.015 4.184 4.170 -0.001 0.000 0.285 54 I C -0.917 175.172 176.117 -0.048 0.000 1.129 54 I CA -1.131 60.163 61.300 -0.011 0.000 1.397 54 I CB 0.549 38.515 38.000 -0.056 0.000 1.399 54 I HN 0.327 nan 8.210 nan 0.000 0.537 55 P HA 0.084 nan 4.420 nan 0.000 0.236 55 P C 0.495 177.791 177.300 -0.005 0.000 1.177 55 P CA 0.588 63.693 63.100 0.009 0.000 0.773 55 P CB 0.587 32.301 31.700 0.024 0.000 0.878 56 G N -1.723 106.979 108.800 -0.164 0.000 2.451 56 G HA2 0.498 4.457 3.960 -0.001 0.000 0.292 56 G HA3 0.498 4.457 3.960 -0.001 0.000 0.292 56 G C -2.243 172.436 174.900 -0.368 0.000 1.427 56 G CA -0.648 44.398 45.100 -0.090 0.000 0.792 56 G HN -0.070 nan 8.290 nan 0.000 0.498 57 Y N -1.556 118.867 120.300 0.204 0.000 2.638 57 Y HA 0.659 5.208 4.550 -0.001 0.000 0.339 57 Y C 0.364 176.396 175.900 0.220 0.000 1.084 57 Y CA -1.066 57.178 58.100 0.241 0.000 1.068 57 Y CB 2.360 41.015 38.460 0.324 0.000 1.294 57 Y HN 0.604 nan 8.280 nan 0.000 0.480 58 V N 1.217 121.388 119.914 0.428 0.000 2.547 58 V HA 0.785 4.905 4.120 -0.001 0.000 0.299 58 V C -0.408 176.050 176.094 0.607 0.000 1.040 58 V CA -0.863 61.712 62.300 0.458 0.000 0.913 58 V CB 1.298 33.370 31.823 0.416 0.000 0.992 58 V HN 0.712 nan 8.190 nan 0.000 0.449 59 I N 0.979 121.834 120.570 0.475 0.000 2.785 59 I HA 0.999 5.168 4.170 -0.001 0.000 0.302 59 I C -0.783 175.337 176.117 0.005 0.000 1.069 59 I CA -0.769 60.675 61.300 0.240 0.000 1.045 59 I CB 2.318 40.264 38.000 -0.089 0.000 1.236 59 I HN 0.758 nan 8.210 nan 0.000 0.429 60 Q N 2.588 122.107 119.800 -0.469 0.000 2.594 60 Q HA 0.361 4.701 4.340 -0.001 0.000 0.278 60 Q C -1.329 174.041 176.000 -1.050 0.000 0.961 60 Q CA -0.428 54.791 55.803 -0.973 0.000 0.844 60 Q CB 2.243 29.688 28.738 -2.156 0.000 1.475 60 Q HN 0.910 nan 8.270 nan 0.000 0.389 61 S N 0.265 114.998 115.700 -1.612 0.000 2.560 61 S HA 0.168 4.638 4.470 -0.001 0.000 0.284 61 S C 0.960 175.188 174.600 -0.620 0.000 1.327 61 S CA 0.586 57.809 58.200 -1.628 0.000 1.055 61 S CB 0.284 62.675 63.200 -1.348 0.000 0.868 61 S HN 0.792 nan 8.310 nan 0.000 0.506 62 S N 4.256 119.749 115.700 -0.344 0.000 2.469 62 S HA -0.090 4.379 4.470 -0.001 0.000 0.238 62 S C 1.953 176.514 174.600 -0.065 0.000 0.998 62 S CA 0.815 59.017 58.200 0.004 0.000 0.957 62 S CB -0.778 62.402 63.200 -0.034 0.000 0.764 62 S HN 0.969 nan 8.310 nan 0.000 0.514 63 A N 1.608 124.314 122.820 -0.190 0.000 2.032 63 A HA -0.143 4.177 4.320 -0.001 0.000 0.221 63 A C 2.198 179.722 177.584 -0.101 0.000 1.165 63 A CA 1.489 53.445 52.037 -0.134 0.000 0.645 63 A CB -0.560 18.339 19.000 -0.167 0.000 0.807 63 A HN 0.734 nan 8.150 nan 0.000 0.453 64 Q N -0.864 118.857 119.800 -0.132 0.000 2.280 64 Q HA 0.226 4.565 4.340 -0.001 0.000 0.201 64 Q C -0.878 175.139 176.000 0.028 0.000 0.890 64 Q CA 0.000 55.762 55.803 -0.069 0.000 0.947 64 Q CB 0.725 29.387 28.738 -0.127 0.000 1.081 64 Q HN 0.359 nan 8.270 nan 0.000 0.502 65 V N 1.686 121.626 119.914 0.044 0.000 2.357 65 V HA 0.059 4.178 4.120 -0.001 0.000 0.281 65 V C 0.812 176.940 176.094 0.056 0.000 1.015 65 V CA -0.114 62.228 62.300 0.070 0.000 0.827 65 V CB 1.444 33.277 31.823 0.017 0.000 1.018 65 V HN 0.225 nan 8.190 nan 0.000 0.432 66 S N 1.543 117.265 115.700 0.036 0.000 2.478 66 S HA 0.054 4.524 4.470 -0.001 0.000 0.222 66 S C 0.546 175.155 174.600 0.015 0.000 1.008 66 S CA 0.473 58.690 58.200 0.028 0.000 0.928 66 S CB 0.153 63.364 63.200 0.019 0.000 0.781 66 S HN 0.681 nan 8.310 nan 0.000 0.518 67 D N 0.830 121.214 120.400 -0.026 0.000 2.440 67 D HA 0.341 4.980 4.640 -0.001 0.000 0.252 67 D C -0.302 175.862 176.300 -0.226 0.000 1.180 67 D CA -0.467 53.487 54.000 -0.076 0.000 0.894 67 D CB 1.326 42.086 40.800 -0.067 0.000 1.111 67 D HN -0.185 nan 8.370 nan 0.000 0.544 68 D N 1.005 121.297 120.400 -0.180 0.000 2.116 68 D HA -0.202 4.438 4.640 -0.001 0.000 0.193 68 D C 2.006 177.681 176.300 -1.042 0.000 0.998 68 D CA 1.734 55.528 54.000 -0.343 0.000 0.836 68 D CB -0.067 40.771 40.800 0.064 0.000 0.951 68 D HN 0.521 nan 8.370 nan 0.000 0.449 69 S N 0.357 115.507 115.700 -0.916 0.000 2.419 69 S HA -0.129 4.340 4.470 -0.001 0.000 0.235 69 S C 2.113 176.341 174.600 -0.621 0.000 1.019 69 S CA 1.236 58.878 58.200 -0.930 0.000 0.982 69 S CB -0.371 62.683 63.200 -0.243 0.000 0.789 69 S HN 0.269 nan 8.310 nan 0.000 0.490 70 A N 1.578 124.075 122.820 -0.539 0.000 1.933 70 A HA 0.067 4.386 4.320 -0.001 0.000 0.218 70 A C 2.397 179.490 177.584 -0.818 0.000 1.175 70 A CA 1.570 53.349 52.037 -0.431 0.000 0.628 70 A CB -1.117 17.770 19.000 -0.188 0.000 0.814 70 A HN 0.482 nan 8.150 nan 0.000 0.444 71 V N 0.965 120.046 119.914 -1.388 0.000 2.332 71 V HA -0.236 3.884 4.120 -0.001 0.000 0.248 71 V C 2.653 178.171 176.094 -0.959 0.000 1.055 71 V CA 2.337 63.494 62.300 -1.905 0.000 1.038 71 V CB -0.931 29.728 31.823 -1.940 0.000 0.651 71 V HN 0.784 nan 8.190 nan 0.000 0.450 72 S N -1.341 114.019 115.700 -0.567 0.000 2.631 72 S HA 0.135 4.605 4.470 -0.001 0.000 0.217 72 S C 0.543 175.083 174.600 -0.100 0.000 0.958 72 S CA -0.267 57.816 58.200 -0.196 0.000 0.920 72 S CB -0.411 62.801 63.200 0.021 0.000 0.776 72 S HN 0.595 nan 8.310 nan 0.000 0.517 73 K N 2.815 123.130 120.400 -0.141 0.000 2.297 73 K HA 0.329 4.649 4.320 -0.001 0.000 0.286 73 K C -2.845 173.762 176.600 0.012 0.000 1.053 73 K CA -2.093 54.178 56.287 -0.027 0.000 0.940 73 K CB 0.297 32.783 32.500 -0.023 0.000 1.019 73 K HN 0.100 nan 8.250 nan 0.000 0.475 74 P HA -0.111 nan 4.420 nan 0.000 0.262 74 P C 0.669 177.986 177.300 0.029 0.000 1.182 74 P CA 1.011 64.140 63.100 0.048 0.000 0.761 74 P CB 0.568 32.322 31.700 0.091 0.000 0.795 75 G N 2.497 111.303 108.800 0.010 0.000 2.194 75 G HA2 -0.280 3.679 3.960 -0.001 0.000 0.236 75 G HA3 -0.280 3.679 3.960 -0.001 0.000 0.236 75 G C 0.110 174.985 174.900 -0.042 0.000 0.987 75 G CA -0.461 44.626 45.100 -0.022 0.000 0.635 75 G HN 0.558 nan 8.290 nan 0.000 0.520 76 F N 4.699 124.542 119.950 -0.178 0.000 2.602 76 F HA 0.472 4.998 4.527 -0.001 0.000 0.385 76 F C -1.006 174.617 175.800 -0.295 0.000 1.063 76 F CA -1.373 56.479 58.000 -0.246 0.000 1.233 76 F CB 0.505 39.316 39.000 -0.315 0.000 1.067 76 F HN 0.077 nan 8.300 nan 0.000 0.564 77 P HA 0.176 nan 4.420 nan 0.000 0.275 77 P C -0.500 176.226 177.300 -0.957 0.000 1.228 77 P CA -0.307 62.369 63.100 -0.707 0.000 0.786 77 P CB 1.063 32.438 31.700 -0.542 0.000 0.927 78 T N -3.146 111.015 114.554 -0.655 0.000 3.442 78 T HA 0.161 4.511 4.350 -0.001 0.000 0.295 78 T C 0.347 174.864 174.700 -0.305 0.000 1.007 78 T CA -0.493 61.090 62.100 -0.861 0.000 0.962 78 T CB -0.756 67.590 68.868 -0.870 0.000 1.187 78 T HN 0.356 nan 8.240 nan 0.000 0.490 79 S N 0.951 116.535 115.700 -0.194 0.000 2.525 79 S HA 0.436 4.905 4.470 -0.001 0.000 0.285 79 S C 1.794 176.422 174.600 0.048 0.000 1.283 79 S CA 1.116 59.276 58.200 -0.067 0.000 1.072 79 S CB -0.532 62.611 63.200 -0.095 0.000 0.867 79 S HN 1.601 nan 8.310 nan 0.000 0.492 80 G N 4.079 112.883 108.800 0.007 0.000 2.199 80 G HA2 -0.251 3.708 3.960 -0.001 0.000 0.254 80 G HA3 -0.251 3.708 3.960 -0.001 0.000 0.254 80 G C -0.023 174.765 174.900 -0.187 0.000 0.982 80 G CA 0.085 45.139 45.100 -0.077 0.000 0.632 80 G HN 0.664 nan 8.290 nan 0.000 0.529 81 W N 0.454 121.585 121.300 -0.283 0.000 2.137 81 W HA 0.616 5.275 4.660 -0.001 0.000 0.344 81 W C 0.446 176.804 176.519 -0.268 0.000 1.286 81 W CA -0.252 56.948 57.345 -0.241 0.000 1.240 81 W CB 0.020 29.456 29.460 -0.041 0.000 1.141 81 W HN 0.126 nan 8.180 nan 0.000 0.579 82 Y N 3.383 123.840 120.300 0.261 0.000 2.341 82 Y HA 0.281 4.831 4.550 -0.001 0.000 0.340 82 Y C -1.637 174.379 175.900 0.193 0.000 0.997 82 Y CA -2.928 55.284 58.100 0.186 0.000 1.149 82 Y CB 0.192 38.747 38.460 0.158 0.000 1.171 82 Y HN 0.011 nan 8.280 nan 0.000 0.494 83 P HA 0.218 nan 4.420 nan 0.000 0.280 83 P C -0.890 176.539 177.300 0.216 0.000 1.244 83 P CA -0.166 63.072 63.100 0.230 0.000 0.784 83 P CB 1.588 33.386 31.700 0.163 0.000 0.913 84 V N 0.216 120.264 119.914 0.225 0.000 3.049 84 V HA 0.719 4.839 4.120 -0.001 0.000 0.309 84 V C 0.034 176.272 176.094 0.242 0.000 1.148 84 V CA -0.967 61.459 62.300 0.209 0.000 0.990 84 V CB 1.554 33.495 31.823 0.198 0.000 1.039 84 V HN 0.647 nan 8.190 nan 0.000 0.430 85 S N 2.323 118.149 115.700 0.210 0.000 2.634 85 S HA 0.466 4.935 4.470 -0.001 0.000 0.261 85 S C 0.563 175.346 174.600 0.305 0.000 1.271 85 S CA 0.335 58.663 58.200 0.213 0.000 0.985 85 S CB 1.127 64.431 63.200 0.174 0.000 0.968 85 S HN 1.698 nan 8.310 nan 0.000 0.568 86 S N 0.258 116.126 115.700 0.280 0.000 2.566 86 S HA 0.157 4.627 4.470 -0.001 0.000 0.280 86 S C 0.524 175.299 174.600 0.292 0.000 1.343 86 S CA 0.020 58.422 58.200 0.337 0.000 1.036 86 S CB -0.585 62.761 63.200 0.244 0.000 0.866 86 S HN 0.799 nan 8.310 nan 0.000 0.526 87 R N 0.376 121.023 120.500 0.246 0.000 3.776 87 R HA -0.119 4.220 4.340 -0.001 0.000 0.312 87 R C -0.657 175.761 176.300 0.195 0.000 1.181 87 R CA 0.711 56.918 56.100 0.178 0.000 0.836 87 R CB -2.714 27.707 30.300 0.202 0.000 1.324 87 R HN 0.434 nan 8.270 nan 0.000 0.501 88 S N 0.992 116.823 115.700 0.219 0.000 2.457 88 S HA 0.283 4.753 4.470 -0.001 0.000 0.289 88 S C 0.831 175.550 174.600 0.198 0.000 1.163 88 S CA -0.408 57.921 58.200 0.215 0.000 1.078 88 S CB 1.702 65.045 63.200 0.239 0.000 0.987 88 S HN 0.305 nan 8.310 nan 0.000 0.482 89 T N 0.178 114.815 114.554 0.139 0.000 2.766 89 T HA 0.230 4.580 4.350 -0.001 0.000 0.295 89 T C 1.506 176.241 174.700 0.059 0.000 1.024 89 T CA -0.768 61.387 62.100 0.092 0.000 1.018 89 T CB 0.328 69.247 68.868 0.085 0.000 1.002 89 T HN 0.193 nan 8.240 nan 0.000 0.532 90 V N 0.808 120.684 119.914 -0.062 0.000 2.261 90 V HA -0.124 3.996 4.120 -0.001 0.000 0.246 90 V C 2.155 178.068 176.094 -0.302 0.000 1.047 90 V CA 1.901 64.030 62.300 -0.285 0.000 1.015 90 V CB -1.237 30.167 31.823 -0.699 0.000 0.642 90 V HN 0.913 nan 8.190 nan 0.000 0.446 91 Y N 1.441 121.436 120.300 -0.507 0.000 2.181 91 Y HA -0.207 4.343 4.550 -0.001 0.000 0.288 91 Y C 2.365 178.094 175.900 -0.286 0.000 1.146 91 Y CA 1.293 59.124 58.100 -0.448 0.000 1.164 91 Y CB -0.779 37.323 38.460 -0.597 0.000 0.982 91 Y HN 0.153 nan 8.280 nan 0.000 0.515 92 A N 0.161 122.825 122.820 -0.260 0.000 1.908 92 A HA -0.159 4.160 4.320 -0.001 0.000 0.218 92 A C 2.551 180.030 177.584 -0.175 0.000 1.181 92 A CA 1.902 53.794 52.037 -0.241 0.000 0.627 92 A CB -1.725 17.277 19.000 0.003 0.000 0.818 92 A HN 0.593 nan 8.150 nan 0.000 0.445 93 G N -0.234 108.507 108.800 -0.098 0.000 2.440 93 G HA2 -0.190 3.770 3.960 -0.001 0.000 0.218 93 G HA3 -0.190 3.770 3.960 -0.001 0.000 0.218 93 G C 1.549 176.373 174.900 -0.127 0.000 1.154 93 G CA 1.089 46.155 45.100 -0.056 0.000 0.767 93 G HN 0.453 nan 8.290 nan 0.000 0.552 94 L N -0.144 120.954 121.223 -0.209 0.000 2.093 94 L HA 0.026 4.365 4.340 -0.001 0.000 0.208 94 L C 2.904 179.667 176.870 -0.179 0.000 1.085 94 L CA 0.446 55.146 54.840 -0.233 0.000 0.755 94 L CB -0.368 41.667 42.059 -0.040 0.000 0.904 94 L HN 0.187 nan 8.230 nan 0.000 0.435 95 L N -0.543 120.515 121.223 -0.275 0.000 2.046 95 L HA -0.245 4.095 4.340 -0.001 0.000 0.208 95 L C 2.677 179.454 176.870 -0.156 0.000 1.077 95 L CA 1.285 55.961 54.840 -0.273 0.000 0.747 95 L CB -0.522 41.235 42.059 -0.503 0.000 0.896 95 L HN 0.376 nan 8.230 nan 0.000 0.432 96 Q N 0.276 120.002 119.800 -0.123 0.000 2.234 96 Q HA -0.206 4.133 4.340 -0.001 0.000 0.206 96 Q C 1.489 177.483 176.000 -0.011 0.000 0.980 96 Q CA 1.418 57.194 55.803 -0.045 0.000 0.869 96 Q CB 0.101 28.836 28.738 -0.004 0.000 0.912 96 Q HN 0.490 nan 8.270 nan 0.000 0.436 97 N N -1.525 117.167 118.700 -0.014 0.000 2.280 97 N HA 0.074 4.813 4.740 -0.001 0.000 0.192 97 N C 0.458 175.974 175.510 0.010 0.000 1.109 97 N CA 0.848 53.924 53.050 0.042 0.000 0.855 97 N CB 1.354 39.929 38.487 0.146 0.000 0.974 97 N HN 0.453 nan 8.380 nan 0.000 0.482 98 G N 1.392 110.169 108.800 -0.038 0.000 2.218 98 G HA2 -0.268 3.692 3.960 -0.001 0.000 0.216 98 G HA3 -0.268 3.692 3.960 -0.001 0.000 0.216 98 G C 0.935 175.779 174.900 -0.094 0.000 0.994 98 G CA 0.393 45.467 45.100 -0.044 0.000 0.637 98 G HN 0.381 nan 8.290 nan 0.000 0.505 99 K N -0.749 119.547 120.400 -0.173 0.000 2.284 99 K HA 0.418 4.738 4.320 -0.001 0.000 0.198 99 K C 0.131 176.341 176.600 -0.649 0.000 1.048 99 K CA 0.301 56.362 56.287 -0.377 0.000 0.987 99 K CB 0.199 32.413 32.500 -0.476 0.000 0.800 99 K HN 0.383 nan 8.250 nan 0.000 0.486 100 Y N -0.442 119.860 120.300 0.003 0.000 2.581 100 Y HA 0.518 5.067 4.550 -0.001 0.000 0.345 100 Y C -0.146 175.769 175.900 0.025 0.000 1.036 100 Y CA -1.353 56.777 58.100 0.049 0.000 1.042 100 Y CB 1.543 40.087 38.460 0.141 0.000 1.289 100 Y HN -0.074 nan 8.280 nan 0.000 0.471 101 A N 0.415 123.380 122.820 0.240 0.000 2.313 101 A HA 0.229 4.548 4.320 -0.001 0.000 0.261 101 A C -0.307 177.381 177.584 0.173 0.000 1.090 101 A CA -0.365 51.772 52.037 0.165 0.000 0.807 101 A CB -0.013 19.093 19.000 0.177 0.000 1.055 101 A HN 0.729 nan 8.150 nan 0.000 0.492 102 D N 1.086 121.575 120.400 0.147 0.000 2.502 102 D HA 0.056 4.695 4.640 -0.001 0.000 0.249 102 D C -1.285 175.205 176.300 0.316 0.000 1.188 102 D CA -1.255 52.843 54.000 0.162 0.000 0.890 102 D CB 0.784 41.681 40.800 0.163 0.000 1.140 102 D HN 0.183 nan 8.370 nan 0.000 0.505 103 P HA -0.094 nan 4.420 nan 0.000 0.230 103 P C 1.198 179.012 177.300 0.857 0.000 1.158 103 P CA 0.323 63.774 63.100 0.584 0.000 0.769 103 P CB 0.033 32.102 31.700 0.615 0.000 0.807 104 F N -1.278 118.949 119.950 0.462 0.000 2.699 104 F HA 0.034 4.561 4.527 -0.001 0.000 0.298 104 F C 1.038 176.983 175.800 0.242 0.000 1.154 104 F CA -0.177 58.033 58.000 0.349 0.000 1.457 104 F CB -1.140 38.020 39.000 0.268 0.000 1.106 104 F HN -0.067 nan 8.300 nan 0.000 0.585 105 Y N -0.204 120.310 120.300 0.356 0.000 2.328 105 Y HA 0.457 5.006 4.550 -0.001 0.000 0.336 105 Y C 0.802 176.842 175.900 0.233 0.000 0.960 105 Y CA -0.499 57.706 58.100 0.176 0.000 1.134 105 Y CB 0.868 39.418 38.460 0.151 0.000 1.166 105 Y HN 0.017 nan 8.280 nan 0.000 0.464 106 S N 2.759 118.110 115.700 -0.582 0.000 3.736 106 S HA -0.316 4.153 4.470 -0.001 0.000 0.627 106 S C 0.892 175.575 174.600 0.139 0.000 2.426 106 S CA 2.170 60.145 58.200 -0.375 0.000 4.022 106 S CB -1.635 61.101 63.200 -0.773 0.000 0.237 106 S HN 1.341 nan 8.310 nan 0.000 0.967 107 T N -0.205 114.334 114.554 -0.025 0.000 3.251 107 T HA 0.379 4.729 4.350 -0.001 0.000 0.259 107 T C 1.020 175.705 174.700 -0.025 0.000 0.998 107 T CA 0.420 62.414 62.100 -0.176 0.000 0.905 107 T CB -0.334 68.322 68.868 -0.354 0.000 1.067 107 T HN 0.447 nan 8.240 nan 0.000 0.569 108 N N 1.715 120.510 118.700 0.158 0.000 2.137 108 N HA -0.065 4.675 4.740 -0.001 0.000 0.190 108 N C 1.527 177.151 175.510 0.191 0.000 1.017 108 N CA 1.216 54.387 53.050 0.202 0.000 0.859 108 N CB -0.326 38.341 38.487 0.301 0.000 1.002 108 N HN 0.503 nan 8.380 nan 0.000 0.428 109 M N 0.694 120.462 119.600 0.279 0.000 2.296 109 M HA -0.132 4.347 4.480 -0.001 0.000 0.265 109 M C 1.579 177.918 176.300 0.064 0.000 1.064 109 M CA 1.266 56.703 55.300 0.229 0.000 1.109 109 M CB 0.069 32.917 32.600 0.414 0.000 1.396 109 M HN 0.114 nan 8.290 nan 0.000 0.430 110 Q N -0.032 119.766 119.800 -0.005 0.000 2.291 110 Q HA -0.124 4.216 4.340 -0.001 0.000 0.206 110 Q C 0.985 176.950 176.000 -0.058 0.000 0.976 110 Q CA 0.951 56.701 55.803 -0.088 0.000 0.875 110 Q CB -0.209 28.383 28.738 -0.244 0.000 0.927 110 Q HN 0.587 nan 8.270 nan 0.000 0.450 111 N N 0.006 118.693 118.700 -0.022 0.000 2.521 111 N HA -0.006 4.733 4.740 -0.001 0.000 0.188 111 N C -0.234 175.273 175.510 -0.005 0.000 1.146 111 N CA 0.285 53.343 53.050 0.013 0.000 0.893 111 N CB 0.350 38.880 38.487 0.071 0.000 0.975 111 N HN -0.015 nan 8.380 nan 0.000 0.451 112 V N 3.139 122.982 119.914 -0.119 0.000 2.432 112 V HA 0.196 4.315 4.120 -0.001 0.000 0.271 112 V C -2.037 173.958 176.094 -0.164 0.000 1.046 112 V CA -1.579 60.538 62.300 -0.303 0.000 0.945 112 V CB 0.835 32.294 31.823 -0.606 0.000 0.992 112 V HN -0.030 nan 8.190 nan 0.000 0.471 113 P HA 0.212 nan 4.420 nan 0.000 0.266 113 P C 0.379 177.612 177.300 -0.111 0.000 1.215 113 P CA -0.026 63.032 63.100 -0.070 0.000 0.763 113 P CB 1.025 32.704 31.700 -0.035 0.000 0.806 114 A N 3.927 126.722 122.820 -0.042 0.000 2.132 114 A HA 0.193 4.512 4.320 -0.001 0.000 0.213 114 A C 2.024 179.605 177.584 -0.004 0.000 1.154 114 A CA 1.016 53.091 52.037 0.064 0.000 0.753 114 A CB -0.864 18.191 19.000 0.091 0.000 0.826 114 A HN 0.489 nan 8.150 nan 0.000 0.469 115 A N 1.100 123.885 122.820 -0.058 0.000 1.948 115 A HA -0.281 4.039 4.320 -0.001 0.000 0.220 115 A C 2.138 179.670 177.584 -0.088 0.000 1.177 115 A CA 1.792 53.802 52.037 -0.044 0.000 0.636 115 A CB -0.743 18.235 19.000 -0.036 0.000 0.815 115 A HN 0.787 nan 8.150 nan 0.000 0.449 116 Q N -1.711 117.941 119.800 -0.246 0.000 2.297 116 Q HA -0.135 4.204 4.340 -0.001 0.000 0.208 116 Q C 0.671 176.584 176.000 -0.145 0.000 0.981 116 Q CA 1.504 57.147 55.803 -0.266 0.000 0.876 116 Q CB -0.506 27.998 28.738 -0.391 0.000 0.921 116 Q HN 0.614 nan 8.270 nan 0.000 0.446 117 F N 0.462 120.520 119.950 0.179 0.000 2.645 117 F HA 0.332 4.859 4.527 -0.001 0.000 0.300 117 F C 1.106 176.970 175.800 0.107 0.000 1.115 117 F CA -0.431 57.649 58.000 0.133 0.000 1.355 117 F CB 0.620 39.592 39.000 -0.046 0.000 1.026 117 F HN -0.045 nan 8.300 nan 0.000 0.536 118 S N -0.201 115.617 115.700 0.196 0.000 2.556 118 S HA 0.202 4.671 4.470 -0.001 0.000 0.216 118 S C 0.479 175.151 174.600 0.121 0.000 0.970 118 S CA -0.082 58.198 58.200 0.134 0.000 0.912 118 S CB -0.119 63.130 63.200 0.081 0.000 0.790 118 S HN 0.115 nan 8.310 nan 0.000 0.504 119 V N -1.506 118.500 119.914 0.152 0.000 3.001 119 V HA 0.695 4.814 4.120 -0.001 0.000 0.314 119 V C -3.287 172.887 176.094 0.133 0.000 1.099 119 V CA -3.236 59.118 62.300 0.090 0.000 0.989 119 V CB 1.258 33.093 31.823 0.020 0.000 1.040 119 V HN -0.221 nan 8.190 nan 0.000 0.434 120 P HA 0.205 nan 4.420 nan 0.000 0.269 120 P C -1.454 175.855 177.300 0.016 0.000 1.215 120 P CA 0.368 63.367 63.100 -0.169 0.000 0.780 120 P CB 0.241 31.526 31.700 -0.692 0.000 0.898 121 W N 1.477 122.689 121.300 -0.146 0.000 2.689 121 W HA 0.421 5.081 4.660 -0.001 0.000 0.340 121 W C -0.926 175.578 176.519 -0.026 0.000 1.060 121 W CA 0.244 57.571 57.345 -0.030 0.000 1.218 121 W CB 0.842 30.363 29.460 0.101 0.000 1.410 121 W HN 0.390 nan 8.180 nan 0.000 0.528 122 W N 2.341 123.759 121.300 0.195 0.000 2.365 122 W HA 0.413 5.073 4.660 -0.001 0.000 0.316 122 W C -0.803 175.951 176.519 0.391 0.000 1.164 122 W CA -0.556 56.967 57.345 0.296 0.000 1.204 122 W CB 0.541 30.158 29.460 0.261 0.000 1.213 122 W HN 0.125 nan 8.180 nan 0.000 0.539 123 Y N 3.288 123.921 120.300 0.555 0.000 2.356 123 Y HA 0.416 4.966 4.550 -0.001 0.000 0.334 123 Y C 0.377 176.671 175.900 0.658 0.000 0.958 123 Y CA -1.074 57.293 58.100 0.445 0.000 1.196 123 Y CB 1.157 39.567 38.460 -0.084 0.000 1.137 123 Y HN 0.238 nan 8.280 nan 0.000 0.485 124 R N 2.025 122.992 120.500 0.779 0.000 2.670 124 R HA 0.695 5.035 4.340 -0.001 0.000 0.289 124 R C -1.327 175.260 176.300 0.479 0.000 0.965 124 R CA -0.367 56.075 56.100 0.570 0.000 0.899 124 R CB 2.093 32.582 30.300 0.316 0.000 1.173 124 R HN 0.662 nan 8.270 nan 0.000 0.456 125 T N 1.423 116.176 114.554 0.331 0.000 2.894 125 T HA 0.280 4.629 4.350 -0.001 0.000 0.309 125 T C -1.408 173.349 174.700 0.095 0.000 1.208 125 T CA -0.747 61.449 62.100 0.159 0.000 1.016 125 T CB 1.405 70.302 68.868 0.049 0.000 1.192 125 T HN 0.554 nan 8.240 nan 0.000 0.491 126 D N 1.690 122.119 120.400 0.049 0.000 2.329 126 D HA 0.517 5.157 4.640 -0.001 0.000 0.246 126 D C -0.589 175.729 176.300 0.030 0.000 1.111 126 D CA -0.149 53.870 54.000 0.033 0.000 0.941 126 D CB 1.484 42.297 40.800 0.021 0.000 1.169 126 D HN 0.340 nan 8.370 nan 0.000 0.441 127 L N 1.823 123.060 121.223 0.023 0.000 2.482 127 L HA 0.260 4.600 4.340 -0.001 0.000 0.269 127 L C -1.079 175.799 176.870 0.014 0.000 0.967 127 L CA -0.524 54.329 54.840 0.021 0.000 0.851 127 L CB 1.413 43.486 42.059 0.023 0.000 1.242 127 L HN 0.227 nan 8.230 nan 0.000 0.404 128 N N 4.556 123.269 118.700 0.022 0.000 2.434 128 N HA 0.410 5.150 4.740 -0.001 0.000 0.272 128 N C -1.541 173.984 175.510 0.025 0.000 1.040 128 N CA -0.192 52.873 53.050 0.025 0.000 0.956 128 N CB 1.495 39.999 38.487 0.029 0.000 1.108 128 N HN 0.485 nan 8.380 nan 0.000 0.481 129 V N 3.962 123.890 119.914 0.024 0.000 2.376 129 V HA 0.153 4.272 4.120 -0.001 0.000 0.287 129 V C 0.393 176.510 176.094 0.038 0.000 1.015 129 V CA -0.690 61.625 62.300 0.025 0.000 0.834 129 V CB 1.423 33.249 31.823 0.006 0.000 1.001 129 V HN 0.637 nan 8.190 nan 0.000 0.428 130 D N 2.218 122.640 120.400 0.037 0.000 2.317 130 D HA 0.026 4.666 4.640 -0.001 0.000 0.211 130 D C 0.406 176.728 176.300 0.038 0.000 0.966 130 D CA 1.177 55.199 54.000 0.038 0.000 0.876 130 D CB 0.412 41.233 40.800 0.034 0.000 0.927 130 D HN 0.652 nan 8.370 nan 0.000 0.519 131 D N -1.114 119.308 120.400 0.037 0.000 2.738 131 D HA 0.023 4.663 4.640 -0.001 0.000 0.218 131 D C 0.026 176.347 176.300 0.035 0.000 1.345 131 D CA -0.284 53.738 54.000 0.036 0.000 0.943 131 D CB 1.047 41.868 40.800 0.035 0.000 1.514 131 D HN -0.132 nan 8.370 nan 0.000 0.585 132 T N 0.119 114.694 114.554 0.035 0.000 3.206 132 T HA 0.119 4.469 4.350 -0.001 0.000 0.253 132 T C 1.516 176.232 174.700 0.028 0.000 1.042 132 T CA 0.110 62.228 62.100 0.029 0.000 0.931 132 T CB 0.230 69.117 68.868 0.031 0.000 1.029 132 T HN 0.111 nan 8.240 nan 0.000 0.564 133 S N 1.402 117.121 115.700 0.032 0.000 2.368 133 S HA 0.013 4.483 4.470 -0.001 0.000 0.225 133 S C 1.143 175.766 174.600 0.039 0.000 1.030 133 S CA 0.549 58.769 58.200 0.033 0.000 0.999 133 S CB -0.327 62.894 63.200 0.034 0.000 0.844 133 S HN 0.661 nan 8.310 nan 0.000 0.459 134 S N 1.580 117.307 115.700 0.045 0.000 2.584 134 S HA 0.337 4.806 4.470 -0.001 0.000 0.273 134 S C 0.179 174.809 174.600 0.050 0.000 1.311 134 S CA -0.578 57.659 58.200 0.061 0.000 1.034 134 S CB 0.749 63.993 63.200 0.074 0.000 0.939 134 S HN 0.379 nan 8.310 nan 0.000 0.513 135 R N 1.089 121.631 120.500 0.070 0.000 2.827 135 R HA 0.276 4.616 4.340 -0.001 0.000 0.269 135 R C -0.335 175.960 176.300 -0.009 0.000 1.048 135 R CA 0.206 56.310 56.100 0.007 0.000 1.173 135 R CB 0.141 30.486 30.300 0.075 0.000 1.070 135 R HN 0.488 nan 8.270 nan 0.000 0.498 136 T N 1.638 116.048 114.554 -0.239 0.000 2.921 136 T HA 0.443 4.793 4.350 -0.001 0.000 0.297 136 T C -1.310 173.177 174.700 -0.355 0.000 1.013 136 T CA -0.662 61.361 62.100 -0.128 0.000 0.990 136 T CB 0.731 69.563 68.868 -0.061 0.000 1.023 136 T HN 0.357 nan 8.240 nan 0.000 0.447 137 Y N 1.188 121.539 120.300 0.085 0.000 2.536 137 Y HA 0.655 5.205 4.550 -0.001 0.000 0.347 137 Y C -0.352 175.641 175.900 0.156 0.000 1.000 137 Y CA -1.415 56.751 58.100 0.110 0.000 1.051 137 Y CB 1.581 40.102 38.460 0.102 0.000 1.259 137 Y HN 0.387 nan 8.280 nan 0.000 0.468 138 L N 2.820 124.260 121.223 0.362 0.000 2.287 138 L HA 0.444 4.783 4.340 -0.001 0.000 0.287 138 L C -1.046 176.127 176.870 0.505 0.000 1.022 138 L CA -0.464 54.641 54.840 0.442 0.000 0.814 138 L CB 1.190 43.535 42.059 0.477 0.000 1.217 138 L HN 0.577 nan 8.230 nan 0.000 0.420 139 D N 4.574 125.251 120.400 0.461 0.000 2.549 139 D HA 0.582 5.222 4.640 -0.001 0.000 0.251 139 D C -1.154 175.372 176.300 0.375 0.000 1.153 139 D CA -0.130 54.043 54.000 0.289 0.000 0.861 139 D CB 1.206 42.113 40.800 0.179 0.000 1.207 139 D HN 0.249 nan 8.370 nan 0.000 0.543 140 F N 0.724 120.784 119.950 0.185 0.000 2.741 140 F HA 0.727 5.253 4.527 -0.001 0.000 0.311 140 F C -0.992 174.901 175.800 0.155 0.000 1.149 140 F CA -0.895 57.198 58.000 0.155 0.000 0.930 140 F CB 0.801 39.900 39.000 0.166 0.000 1.312 140 F HN 0.199 nan 8.300 nan 0.000 0.450 141 S N -0.936 114.918 115.700 0.257 0.000 2.819 141 S HA 0.772 5.242 4.470 -0.001 0.000 0.299 141 S C 0.252 174.962 174.600 0.185 0.000 1.192 141 S CA -0.537 57.778 58.200 0.191 0.000 0.847 141 S CB 0.886 64.136 63.200 0.083 0.000 1.224 141 S HN 2.625 nan 8.310 nan 0.000 0.537 142 G N -0.574 108.268 108.800 0.070 0.000 2.137 142 G HA2 -0.169 3.790 3.960 -0.001 0.000 0.237 142 G HA3 -0.169 3.790 3.960 -0.001 0.000 0.237 142 G C -0.154 174.705 174.900 -0.069 0.000 1.002 142 G CA -0.050 45.030 45.100 -0.033 0.000 0.702 142 G HN 1.277 nan 8.290 nan 0.000 0.515 143 V N 2.171 122.078 119.914 -0.012 0.000 2.408 143 V HA 0.491 4.611 4.120 -0.001 0.000 0.267 143 V C 0.755 176.804 176.094 -0.075 0.000 1.047 143 V CA -0.214 62.044 62.300 -0.069 0.000 0.937 143 V CB 1.175 33.022 31.823 0.041 0.000 0.999 143 V HN 0.329 nan 8.190 nan 0.000 0.472 144 L N 5.010 126.167 121.223 -0.110 0.000 2.325 144 L HA 0.429 4.769 4.340 -0.001 0.000 0.281 144 L C 1.074 177.916 176.870 -0.047 0.000 1.004 144 L CA -0.242 54.547 54.840 -0.084 0.000 0.823 144 L CB 1.753 43.759 42.059 -0.088 0.000 1.236 144 L HN 0.729 nan 8.230 nan 0.000 0.415 145 S N 1.905 117.600 115.700 -0.008 0.000 2.486 145 S HA 0.116 4.585 4.470 -0.001 0.000 0.220 145 S C 0.375 174.955 174.600 -0.034 0.000 1.011 145 S CA -0.035 58.143 58.200 -0.036 0.000 0.921 145 S CB 0.221 63.395 63.200 -0.043 0.000 0.785 145 S HN 0.796 nan 8.310 nan 0.000 0.517 146 K N -0.826 119.583 120.400 0.014 0.000 2.711 146 K HA 0.711 5.030 4.320 -0.001 0.000 0.294 146 K C -1.881 174.794 176.600 0.125 0.000 1.037 146 K CA -0.888 55.400 56.287 0.002 0.000 0.858 146 K CB 0.830 33.260 32.500 -0.117 0.000 1.521 146 K HN 0.270 nan 8.250 nan 0.000 0.386 147 A N 1.034 123.921 122.820 0.111 0.000 2.589 147 A HA 0.516 4.836 4.320 -0.001 0.000 0.296 147 A C -1.868 175.813 177.584 0.161 0.000 1.062 147 A CA -0.884 51.291 52.037 0.230 0.000 0.686 147 A CB 1.424 20.558 19.000 0.224 0.000 1.282 147 A HN 0.674 nan 8.150 nan 0.000 0.404 148 D N 0.972 121.513 120.400 0.235 0.000 2.255 148 D HA 0.470 5.109 4.640 -0.001 0.000 0.249 148 D C -0.386 175.950 176.300 0.060 0.000 1.078 148 D CA 0.146 54.206 54.000 0.101 0.000 0.896 148 D CB 1.830 42.745 40.800 0.192 0.000 1.194 148 D HN 0.220 nan 8.370 nan 0.000 0.429 149 V N 1.967 121.813 119.914 -0.114 0.000 2.495 149 V HA 0.426 4.546 4.120 -0.001 0.000 0.298 149 V C -0.810 175.139 176.094 -0.242 0.000 1.031 149 V CA -0.843 61.318 62.300 -0.231 0.000 0.871 149 V CB 1.413 33.068 31.823 -0.279 0.000 0.988 149 V HN 0.477 nan 8.190 nan 0.000 0.432 150 W N 2.669 123.886 121.300 -0.137 0.000 2.785 150 W HA 0.775 5.434 4.660 -0.001 0.000 0.333 150 W C -0.966 175.506 176.519 -0.078 0.000 1.062 150 W CA -0.677 56.647 57.345 -0.035 0.000 1.233 150 W CB 2.267 31.777 29.460 0.084 0.000 1.413 150 W HN 0.325 nan 8.180 nan 0.000 0.489 151 V N 4.024 124.040 119.914 0.170 0.000 2.525 151 V HA 0.258 4.378 4.120 -0.001 0.000 0.299 151 V C -0.164 175.994 176.094 0.107 0.000 1.034 151 V CA -1.359 60.991 62.300 0.083 0.000 0.863 151 V CB 1.555 33.383 31.823 0.009 0.000 0.999 151 V HN 0.705 nan 8.190 nan 0.000 0.423 152 N N 3.691 122.440 118.700 0.081 0.000 2.710 152 N HA -0.223 4.516 4.740 -0.001 0.000 0.249 152 N C 1.174 176.760 175.510 0.127 0.000 1.059 152 N CA 1.684 54.790 53.050 0.092 0.000 0.720 152 N CB -0.975 37.570 38.487 0.096 0.000 0.983 152 N HN 1.658 nan 8.380 nan 0.000 0.544 153 G N -2.677 106.223 108.800 0.166 0.000 2.157 153 G HA2 -0.291 3.669 3.960 -0.001 0.000 0.248 153 G HA3 -0.291 3.669 3.960 -0.001 0.000 0.248 153 G C 0.070 175.219 174.900 0.415 0.000 0.979 153 G CA 0.615 45.846 45.100 0.217 0.000 0.650 153 G HN 0.530 nan 8.290 nan 0.000 0.529 154 T N 0.730 115.502 114.554 0.363 0.000 2.792 154 T HA 0.494 4.844 4.350 -0.001 0.000 0.280 154 T C -0.022 174.624 174.700 -0.089 0.000 0.990 154 T CA -0.555 61.641 62.100 0.158 0.000 0.960 154 T CB 1.938 70.837 68.868 0.051 0.000 0.939 154 T HN 0.270 nan 8.240 nan 0.000 0.439 155 K N 3.486 123.487 120.400 -0.666 0.000 2.315 155 K HA 0.195 4.515 4.320 -0.001 0.000 0.291 155 K C 1.317 177.602 176.600 -0.526 0.000 1.074 155 K CA -0.231 55.342 56.287 -1.190 0.000 0.936 155 K CB 0.306 31.869 32.500 -1.561 0.000 1.049 155 K HN 0.535 nan 8.250 nan 0.000 0.471 156 V N 1.155 120.849 119.914 -0.366 0.000 3.235 156 V HA 0.289 4.409 4.120 -0.001 0.000 0.259 156 V C 0.397 176.399 176.094 -0.154 0.000 1.133 156 V CA 0.683 62.869 62.300 -0.189 0.000 1.128 156 V CB -0.253 31.508 31.823 -0.103 0.000 0.757 156 V HN 0.607 nan 8.190 nan 0.000 0.469 157 A N 0.163 122.862 122.820 -0.202 0.000 2.594 157 A HA 0.697 5.017 4.320 -0.001 0.000 0.296 157 A C -0.229 177.256 177.584 -0.165 0.000 1.061 157 A CA 0.129 52.086 52.037 -0.134 0.000 0.689 157 A CB 1.155 20.128 19.000 -0.044 0.000 1.280 157 A HN 0.679 nan 8.150 nan 0.000 0.406 158 T N -1.437 113.041 114.554 -0.127 0.000 2.948 158 T HA 0.479 4.829 4.350 -0.001 0.000 0.285 158 T C 0.930 175.567 174.700 -0.104 0.000 1.019 158 T CA 0.023 62.055 62.100 -0.113 0.000 1.013 158 T CB 1.257 70.061 68.868 -0.107 0.000 1.117 158 T HN 0.939 nan 8.240 nan 0.000 0.533 159 K N 0.211 120.532 120.400 -0.132 0.000 2.442 159 K HA -0.106 4.214 4.320 -0.001 0.000 0.198 159 K C 0.853 177.332 176.600 -0.202 0.000 1.044 159 K CA 1.327 57.484 56.287 -0.217 0.000 0.948 159 K CB -0.208 31.963 32.500 -0.547 0.000 0.762 159 K HN 0.468 nan 8.250 nan 0.000 0.472 160 D N 1.202 121.506 120.400 -0.160 0.000 2.183 160 D HA -0.147 4.492 4.640 -0.001 0.000 0.203 160 D C 1.969 178.214 176.300 -0.091 0.000 0.969 160 D CA 1.085 55.009 54.000 -0.127 0.000 0.842 160 D CB 0.106 40.844 40.800 -0.104 0.000 0.957 160 D HN 0.503 nan 8.370 nan 0.000 0.484 161 Q N 0.312 120.065 119.800 -0.079 0.000 2.107 161 Q HA -0.010 4.329 4.340 -0.001 0.000 0.195 161 Q C 0.305 176.274 176.000 -0.052 0.000 0.964 161 Q CA 0.552 56.331 55.803 -0.039 0.000 0.833 161 Q CB 0.564 29.282 28.738 -0.034 0.000 0.910 161 Q HN -0.064 nan 8.270 nan 0.000 0.465 162 V N 3.094 122.903 119.914 -0.177 0.000 2.267 162 V HA 0.244 4.363 4.120 -0.001 0.000 0.254 162 V C -0.540 175.478 176.094 -0.127 0.000 1.144 162 V CA -0.345 61.727 62.300 -0.381 0.000 0.992 162 V CB 0.132 31.805 31.823 -0.250 0.000 1.199 162 V HN 0.277 nan 8.190 nan 0.000 0.493 163 N N 3.282 121.967 118.700 -0.024 0.000 2.503 163 N HA 0.573 5.313 4.740 -0.001 0.000 0.287 163 N C -0.530 174.977 175.510 -0.004 0.000 1.096 163 N CA 0.596 53.621 53.050 -0.041 0.000 0.936 163 N CB 2.200 40.627 38.487 -0.101 0.000 1.570 163 N HN 0.787 nan 8.380 nan 0.000 0.504 164 G N 1.538 110.315 108.800 -0.040 0.000 3.067 164 G HA2 0.194 4.154 3.960 -0.001 0.000 0.686 164 G HA3 0.194 4.154 3.960 -0.001 0.000 0.686 164 G C 0.681 175.588 174.900 0.013 0.000 1.119 164 G CA -0.040 45.036 45.100 -0.039 0.000 0.790 164 G HN 0.858 nan 8.290 nan 0.000 0.605 165 A N 1.639 124.416 122.820 -0.073 0.000 1.978 165 A HA 0.069 4.388 4.320 -0.001 0.000 0.220 165 A C 1.771 179.216 177.584 -0.231 0.000 1.170 165 A CA 2.432 54.334 52.037 -0.227 0.000 0.636 165 A CB -0.298 18.418 19.000 -0.474 0.000 0.810 165 A HN 1.139 nan 8.150 nan 0.000 0.448 166 Y N 0.592 120.982 120.300 0.149 0.000 2.462 166 Y HA 0.085 4.634 4.550 -0.001 0.000 0.261 166 Y C 1.327 177.284 175.900 0.094 0.000 1.146 166 Y CA 0.370 58.560 58.100 0.150 0.000 1.283 166 Y CB -0.052 38.560 38.460 0.254 0.000 1.090 166 Y HN 0.281 nan 8.280 nan 0.000 0.526 167 T N -0.043 114.622 114.554 0.186 0.000 2.870 167 T HA 0.142 4.492 4.350 -0.001 0.000 0.300 167 T C -0.062 174.525 174.700 -0.189 0.000 0.989 167 T CA -0.811 61.301 62.100 0.021 0.000 1.139 167 T CB 1.321 70.216 68.868 0.046 0.000 0.920 167 T HN 0.225 nan 8.240 nan 0.000 0.537 168 R N 2.397 122.701 120.500 -0.326 0.000 2.404 168 R HA 0.295 4.635 4.340 -0.001 0.000 0.291 168 R C -0.605 175.160 176.300 -0.892 0.000 1.025 168 R CA -0.665 55.182 56.100 -0.421 0.000 0.991 168 R CB 0.501 30.700 30.300 -0.169 0.000 1.053 168 R HN 0.793 nan 8.270 nan 0.000 0.479 169 H N 2.026 120.823 119.070 -0.456 0.000 2.637 169 H HA 0.205 4.760 4.556 -0.001 0.000 0.363 169 H C -1.171 173.958 175.328 -0.332 0.000 1.131 169 H CA -0.788 54.972 56.048 -0.479 0.000 1.183 169 H CB 2.279 31.562 29.762 -0.797 0.000 1.637 169 H HN 0.571 nan 8.280 nan 0.000 0.531 170 D N 3.510 123.902 120.400 -0.014 0.000 2.400 170 D HA 0.206 4.845 4.640 -0.001 0.000 0.272 170 D C -0.855 175.568 176.300 0.204 0.000 1.220 170 D CA -0.384 53.670 54.000 0.090 0.000 0.897 170 D CB 0.040 40.857 40.800 0.029 0.000 1.134 170 D HN 0.354 nan 8.370 nan 0.000 0.507 171 L N 1.910 123.293 121.223 0.267 0.000 2.257 171 L HA 0.356 4.696 4.340 -0.001 0.000 0.290 171 L C 0.416 177.413 176.870 0.213 0.000 1.044 171 L CA -0.859 54.120 54.840 0.231 0.000 0.810 171 L CB 1.127 43.327 42.059 0.235 0.000 1.193 171 L HN 0.179 nan 8.230 nan 0.000 0.425 172 D N 4.867 125.346 120.400 0.132 0.000 2.338 172 D HA 0.131 4.771 4.640 -0.001 0.000 0.255 172 D C 0.638 176.845 176.300 -0.155 0.000 1.237 172 D CA -0.100 53.797 54.000 -0.171 0.000 0.883 172 D CB 0.972 41.719 40.800 -0.088 0.000 1.087 172 D HN 0.547 nan 8.370 nan 0.000 0.485 173 I N 0.601 121.049 120.570 -0.203 0.000 3.927 173 I HA 0.133 4.302 4.170 -0.001 0.000 0.332 173 I C 1.107 177.145 176.117 -0.132 0.000 1.485 173 I CA -0.511 60.721 61.300 -0.114 0.000 1.131 173 I CB 0.239 38.208 38.000 -0.052 0.000 1.092 173 I HN 0.014 nan 8.210 nan 0.000 0.410 174 T N 1.845 116.280 114.554 -0.199 0.000 2.685 174 T HA -0.247 4.103 4.350 -0.001 0.000 0.268 174 T C 2.116 176.772 174.700 -0.074 0.000 1.034 174 T CA 2.212 64.225 62.100 -0.146 0.000 1.149 174 T CB -0.210 68.557 68.868 -0.168 0.000 0.860 174 T HN 0.646 nan 8.240 nan 0.000 0.449 175 A N 0.831 123.615 122.820 -0.060 0.000 2.019 175 A HA -0.125 4.194 4.320 -0.001 0.000 0.219 175 A C 2.243 179.822 177.584 -0.009 0.000 1.164 175 A CA 1.420 53.442 52.037 -0.026 0.000 0.644 175 A CB -0.458 18.528 19.000 -0.022 0.000 0.805 175 A HN 0.444 nan 8.150 nan 0.000 0.449 176 Q N -0.981 118.806 119.800 -0.022 0.000 2.354 176 Q HA 0.204 4.543 4.340 -0.001 0.000 0.203 176 Q C 0.305 176.286 176.000 -0.031 0.000 0.933 176 Q CA 0.278 56.077 55.803 -0.006 0.000 0.901 176 Q CB 0.123 28.852 28.738 -0.014 0.000 1.007 176 Q HN 0.374 nan 8.270 nan 0.000 0.495 177 V N 2.815 122.690 119.914 -0.065 0.000 2.583 177 V HA 0.156 4.275 4.120 -0.001 0.000 0.287 177 V C 0.036 176.090 176.094 -0.066 0.000 1.051 177 V CA -0.368 61.851 62.300 -0.134 0.000 1.010 177 V CB 0.629 32.389 31.823 -0.104 0.000 0.988 177 V HN 0.403 nan 8.190 nan 0.000 0.478 178 H N 1.270 120.345 119.070 0.009 0.000 2.894 178 H HA 0.702 5.258 4.556 -0.001 0.000 0.368 178 H C -0.045 175.291 175.328 0.013 0.000 1.181 178 H CA -0.563 55.491 56.048 0.010 0.000 1.146 178 H CB 1.728 31.495 29.762 0.009 0.000 1.839 178 H HN 0.651 nan 8.280 nan 0.000 0.557 179 T N 0.013 114.692 114.554 0.208 0.000 2.903 179 T HA 0.451 4.800 4.350 -0.001 0.000 0.314 179 T C 1.125 175.945 174.700 0.201 0.000 1.078 179 T CA 1.228 63.412 62.100 0.140 0.000 1.114 179 T CB -0.351 nan 68.868 nan 0.000 0.987 179 T HN 1.188 nan 8.240 nan 0.000 0.548 180 G N 0.023 108.897 108.800 0.123 0.000 2.508 180 G HA2 0.012 3.971 3.960 -0.001 0.000 0.220 180 G HA3 0.012 3.971 3.960 -0.001 0.000 0.220 180 G C -0.197 174.770 174.900 0.111 0.000 1.287 180 G CA -0.207 44.962 45.100 0.115 0.000 0.916 180 G HN 1.455 nan 8.290 nan 0.000 0.574 181 V N 3.042 123.027 119.914 0.118 0.000 2.405 181 V HA 0.313 4.432 4.120 -0.001 0.000 0.264 181 V C 0.683 176.845 176.094 0.113 0.000 1.048 181 V CA -0.226 62.126 62.300 0.086 0.000 0.966 181 V CB 0.547 32.411 31.823 0.067 0.000 1.015 181 V HN 0.593 nan 8.190 nan 0.000 0.477 182 N N 2.863 121.563 118.700 -0.001 0.000 2.483 182 N HA 0.594 5.333 4.740 -0.001 0.000 0.285 182 N C -0.730 174.773 175.510 -0.013 0.000 1.210 182 N CA -0.515 52.481 53.050 -0.091 0.000 0.931 182 N CB 2.062 40.422 38.487 -0.213 0.000 1.220 182 N HN 0.565 nan 8.380 nan 0.000 0.542 183 S N 0.308 116.003 115.700 -0.008 0.000 2.541 183 S HA 0.509 4.978 4.470 -0.001 0.000 0.280 183 S C -0.722 173.900 174.600 0.036 0.000 1.112 183 S CA -0.685 57.527 58.200 0.021 0.000 0.925 183 S CB 2.041 65.248 63.200 0.011 0.000 1.067 183 S HN 0.243 nan 8.310 nan 0.000 0.479 184 V N 1.588 121.549 119.914 0.079 0.000 2.656 184 V HA 0.930 5.050 4.120 -0.001 0.000 0.307 184 V C -0.384 175.820 176.094 0.183 0.000 1.051 184 V CA -0.580 61.777 62.300 0.095 0.000 0.893 184 V CB 1.529 33.421 31.823 0.114 0.000 0.999 184 V HN 1.053 nan 8.190 nan 0.000 0.426 185 A N 4.136 127.056 122.820 0.167 0.000 2.427 185 A HA 0.877 5.197 4.320 -0.001 0.000 0.298 185 A C -1.334 176.446 177.584 0.327 0.000 1.036 185 A CA -0.392 51.877 52.037 0.387 0.000 0.701 185 A CB 1.049 20.275 19.000 0.375 0.000 1.250 185 A HN 0.611 nan 8.150 nan 0.000 0.412 186 F N 1.679 121.878 119.950 0.416 0.000 2.415 186 F HA 0.439 4.965 4.527 -0.001 0.000 0.348 186 F C 0.807 176.643 175.800 0.060 0.000 1.119 186 F CA -0.248 57.868 58.000 0.193 0.000 1.069 186 F CB 1.880 40.867 39.000 -0.023 0.000 1.124 186 F HN 0.534 nan 8.300 nan 0.000 0.472 187 K N 4.118 124.408 120.400 -0.183 0.000 2.250 187 K HA 0.431 4.751 4.320 -0.001 0.000 0.280 187 K C -1.203 175.220 176.600 -0.295 0.000 1.098 187 K CA -0.290 55.497 56.287 -0.834 0.000 0.916 187 K CB 0.597 32.355 32.500 -1.237 0.000 1.209 187 K HN 0.485 nan 8.250 nan 0.000 0.461 188 V N 5.969 125.774 119.914 -0.182 0.000 2.383 188 V HA 0.196 4.315 4.120 -0.001 0.000 0.275 188 V C -0.366 175.693 176.094 -0.057 0.000 1.036 188 V CA -0.688 61.602 62.300 -0.016 0.000 0.889 188 V CB 0.248 32.062 31.823 -0.016 0.000 0.985 188 V HN 0.575 nan 8.190 nan 0.000 0.459 189 Y N 5.361 125.650 120.300 -0.019 0.000 2.307 189 Y HA 0.333 4.883 4.550 -0.001 0.000 0.324 189 Y C -1.772 174.145 175.900 0.027 0.000 1.238 189 Y CA -2.222 55.880 58.100 0.004 0.000 1.280 189 Y CB 0.682 39.129 38.460 -0.022 0.000 1.248 189 Y HN 0.469 nan 8.280 nan 0.000 0.508 190 P HA -0.106 nan 4.420 nan 0.000 0.266 190 P C -0.987 176.363 177.300 0.083 0.000 1.193 190 P CA 0.251 63.430 63.100 0.131 0.000 0.770 190 P CB 0.449 32.231 31.700 0.137 0.000 0.836 191 N N 1.747 120.472 118.700 0.041 0.000 2.400 191 N HA 0.292 5.032 4.740 -0.001 0.000 0.288 191 N C -1.498 174.011 175.510 -0.002 0.000 1.024 191 N CA -0.367 52.685 53.050 0.002 0.000 0.894 191 N CB 0.564 39.039 38.487 -0.019 0.000 1.173 191 N HN 0.173 nan 8.380 nan 0.000 0.487 192 D N 3.812 124.196 120.400 -0.025 0.000 2.542 192 D HA 0.355 4.994 4.640 -0.001 0.000 0.252 192 D C -2.104 174.161 176.300 -0.059 0.000 1.222 192 D CA -2.134 51.848 54.000 -0.029 0.000 0.895 192 D CB 1.977 42.762 40.800 -0.026 0.000 1.207 192 D HN 0.333 nan 8.370 nan 0.000 0.558 193 P HA -0.027 nan 4.420 nan 0.000 0.225 193 P C 0.467 177.725 177.300 -0.071 0.000 1.148 193 P CA 0.804 63.864 63.100 -0.068 0.000 0.779 193 P CB 0.304 31.963 31.700 -0.068 0.000 0.780 194 N N -0.658 118.007 118.700 -0.059 0.000 2.416 194 N HA -0.020 4.720 4.740 -0.001 0.000 0.177 194 N C 1.990 177.446 175.510 -0.092 0.000 1.036 194 N CA 0.165 53.183 53.050 -0.055 0.000 0.901 194 N CB -0.072 38.396 38.487 -0.032 0.000 0.976 194 N HN 0.092 nan 8.380 nan 0.000 0.444 195 R N 0.365 120.796 120.500 -0.115 0.000 2.167 195 R HA 0.100 4.439 4.340 -0.001 0.000 0.201 195 R C -0.690 175.467 176.300 -0.238 0.000 1.024 195 R CA 0.431 56.441 56.100 -0.150 0.000 1.053 195 R CB 0.580 30.816 30.300 -0.108 0.000 0.987 195 R HN 0.039 nan 8.270 nan 0.000 0.493 196 D N 1.190 121.451 120.400 -0.231 0.000 2.163 196 D HA 0.173 4.812 4.640 -0.001 0.000 0.248 196 D C -0.565 175.492 176.300 -0.405 0.000 1.035 196 D CA -0.371 53.458 54.000 -0.285 0.000 0.872 196 D CB 2.061 42.752 40.800 -0.181 0.000 1.183 196 D HN 0.111 nan 8.370 nan 0.000 0.445 197 L N 2.119 122.997 121.223 -0.575 0.000 2.415 197 L HA 0.100 4.439 4.340 -0.001 0.000 0.269 197 L C 0.909 177.623 176.870 -0.261 0.000 1.244 197 L CA 0.277 54.561 54.840 -0.925 0.000 1.113 197 L CB -0.237 41.084 42.059 -1.230 0.000 1.352 197 L HN 0.218 nan 8.230 nan 0.000 0.433 198 S N 1.802 117.533 115.700 0.051 0.000 4.199 198 S HA 0.669 5.139 4.470 -0.001 0.000 0.257 198 S C -0.624 174.077 174.600 0.169 0.000 1.079 198 S CA -0.591 57.660 58.200 0.086 0.000 1.498 198 S CB 1.050 64.208 63.200 -0.070 0.000 1.260 198 S HN 0.356 nan 8.310 nan 0.000 0.749 199 M N 1.179 120.718 119.600 -0.101 0.000 2.326 199 M HA 0.599 5.079 4.480 -0.001 0.000 0.306 199 M C -0.212 175.863 176.300 -0.375 0.000 1.054 199 M CA -0.661 54.432 55.300 -0.344 0.000 0.922 199 M CB 1.931 34.252 32.600 -0.464 0.000 1.632 199 M HN 0.690 nan 8.290 nan 0.000 0.436 200 G N 0.653 109.159 108.800 -0.489 0.000 2.658 200 G HA2 0.606 4.565 3.960 -0.001 0.000 0.292 200 G HA3 0.606 4.565 3.960 -0.001 0.000 0.292 200 G C -1.403 173.132 174.900 -0.608 0.000 1.320 200 G CA -0.511 44.343 45.100 -0.409 0.000 0.933 200 G HN 0.952 nan 8.290 nan 0.000 0.476 201 W N 0.494 121.706 121.300 -0.147 0.000 3.239 201 W HA 0.371 5.031 4.660 -0.001 0.000 0.348 201 W C 1.401 177.636 176.519 -0.473 0.000 1.183 201 W CA -0.345 56.813 57.345 -0.311 0.000 1.819 201 W CB -0.520 28.802 29.460 -0.231 0.000 1.091 201 W HN 0.508 nan 8.180 nan 0.000 0.629 202 I N 0.792 121.233 120.570 -0.215 0.000 4.907 202 I HA -0.494 3.675 4.170 -0.001 0.000 0.038 202 I C 1.256 177.402 176.117 0.049 0.000 0.635 202 I CA 2.036 63.250 61.300 -0.144 0.000 0.207 202 I CB -0.928 36.895 38.000 -0.295 0.000 0.321 202 I HN 0.070 nan 8.210 nan 0.000 0.150 203 D N -0.975 119.564 120.400 0.232 0.000 2.599 203 D HA 0.105 4.745 4.640 -0.001 0.000 0.249 203 D C 0.817 177.477 176.300 0.601 0.000 1.313 203 D CA -0.296 53.945 54.000 0.401 0.000 0.815 203 D CB -0.317 40.811 40.800 0.547 0.000 1.077 203 D HN 0.560 nan 8.370 nan 0.000 0.492 204 W N 1.771 123.296 121.300 0.375 0.000 2.402 204 W HA 0.449 5.109 4.660 -0.001 0.000 0.286 204 W C 1.252 177.865 176.519 0.157 0.000 1.221 204 W CA 0.621 58.180 57.345 0.356 0.000 1.257 204 W CB -0.598 29.021 29.460 0.266 0.000 1.120 204 W HN 0.269 nan 8.180 nan 0.000 0.551 205 A N -1.374 121.527 122.820 0.134 0.000 3.508 205 A HA 0.544 4.863 4.320 -0.001 0.000 0.169 205 A C -0.445 176.888 177.584 -0.419 0.000 0.817 205 A CA -0.358 51.527 52.037 -0.253 0.000 1.256 205 A CB 0.499 18.952 19.000 -0.913 0.000 2.053 205 A HN -0.150 nan 8.150 nan 0.000 0.825 206 Q N 0.165 119.435 119.800 -0.885 0.000 2.433 206 Q HA 0.497 4.836 4.340 -0.001 0.000 0.279 206 Q C -1.357 174.302 176.000 -0.568 0.000 1.105 206 Q CA -0.504 54.891 55.803 -0.680 0.000 0.815 206 Q CB 1.652 29.840 28.738 -0.917 0.000 1.403 206 Q HN 0.621 nan 8.270 nan 0.000 0.435 207 T N 3.652 118.034 114.554 -0.287 0.000 2.799 207 T HA 0.243 4.592 4.350 -0.001 0.000 0.296 207 T C -2.255 172.336 174.700 -0.181 0.000 0.947 207 T CA -0.884 61.113 62.100 -0.171 0.000 1.141 207 T CB 0.092 68.925 68.868 -0.058 0.000 0.891 207 T HN 0.219 nan 8.240 nan 0.000 0.533 208 P HA 0.151 nan 4.420 nan 0.000 0.268 208 P C -1.986 175.191 177.300 -0.206 0.000 1.204 208 P CA -1.565 61.498 63.100 -0.061 0.000 0.768 208 P CB 0.165 31.934 31.700 0.114 0.000 0.842 209 P HA -0.183 nan 4.420 nan 0.000 0.217 209 P C 0.819 177.912 177.300 -0.345 0.000 1.148 209 P CA 1.624 64.496 63.100 -0.381 0.000 0.828 209 P CB -0.114 31.230 31.700 -0.594 0.000 0.783 210 D N -1.664 118.283 120.400 -0.755 0.000 2.339 210 D HA -0.020 4.619 4.640 -0.001 0.000 0.217 210 D C 0.672 176.794 176.300 -0.297 0.000 1.050 210 D CA -0.082 53.390 54.000 -0.880 0.000 0.856 210 D CB -0.721 39.225 40.800 -1.423 0.000 0.922 210 D HN 0.001 nan 8.370 nan 0.000 0.518 211 Q N 0.291 120.005 119.800 -0.144 0.000 2.481 211 Q HA -0.268 4.071 4.340 -0.001 0.000 0.272 211 Q C -0.515 175.496 176.000 0.018 0.000 1.157 211 Q CA 0.884 56.681 55.803 -0.010 0.000 0.935 211 Q CB -1.783 26.952 28.738 -0.004 0.000 1.338 211 Q HN 0.340 nan 8.270 nan 0.000 0.494 212 N N -1.875 116.835 118.700 0.017 0.000 2.741 212 N HA -0.234 4.506 4.740 -0.001 0.000 0.251 212 N C 0.159 175.659 175.510 -0.017 0.000 1.112 212 N CA 1.650 54.737 53.050 0.062 0.000 0.750 212 N CB -1.839 36.753 38.487 0.174 0.000 1.119 212 N HN 0.775 nan 8.380 nan 0.000 0.561 213 M N -1.066 118.487 119.600 -0.079 0.000 2.250 213 M HA 0.396 4.876 4.480 -0.001 0.000 0.337 213 M C 1.014 177.274 176.300 -0.067 0.000 1.161 213 M CA 1.200 56.460 55.300 -0.066 0.000 1.088 213 M CB 0.756 33.330 32.600 -0.043 0.000 1.639 213 M HN 0.248 nan 8.290 nan 0.000 0.447 214 G N 3.015 111.746 108.800 -0.116 0.000 2.278 214 G HA2 0.218 4.177 3.960 -0.001 0.000 0.265 214 G HA3 0.218 4.177 3.960 -0.001 0.000 0.265 214 G C -1.621 172.994 174.900 -0.475 0.000 1.329 214 G CA -0.846 44.079 45.100 -0.292 0.000 1.017 214 G HN 0.889 nan 8.290 nan 0.000 0.472 215 I N 1.475 121.668 120.570 -0.629 0.000 2.439 215 I HA 0.404 4.573 4.170 -0.001 0.000 0.283 215 I C 1.050 177.035 176.117 -0.219 0.000 1.023 215 I CA -0.813 60.187 61.300 -0.500 0.000 1.100 215 I CB 1.907 39.416 38.000 -0.818 0.000 1.238 215 I HN 0.745 nan 8.210 nan 0.000 0.445 216 V N 2.104 121.950 119.914 -0.113 0.000 3.578 216 V HA 0.434 4.553 4.120 -0.001 0.000 0.290 216 V C 0.754 176.845 176.094 -0.004 0.000 1.376 216 V CA 0.219 62.513 62.300 -0.010 0.000 1.083 216 V CB -0.476 31.356 31.823 0.014 0.000 0.911 216 V HN 0.661 nan 8.190 nan 0.000 0.433 217 R N -0.005 120.480 120.500 -0.024 0.000 2.930 217 R HA 0.528 4.867 4.340 -0.001 0.000 0.257 217 R C -1.084 175.234 176.300 0.031 0.000 1.107 217 R CA -0.978 55.112 56.100 -0.017 0.000 0.999 217 R CB 0.757 31.058 30.300 0.002 0.000 1.209 217 R HN 0.179 nan 8.270 nan 0.000 0.486 218 D N 0.727 121.161 120.400 0.056 0.000 2.372 218 D HA 0.126 4.766 4.640 -0.001 0.000 0.243 218 D C -0.541 175.861 176.300 0.170 0.000 1.121 218 D CA 0.062 54.133 54.000 0.118 0.000 0.898 218 D CB 1.220 42.087 40.800 0.112 0.000 1.202 218 D HN -0.001 nan 8.370 nan 0.000 0.428 219 V N 3.313 123.347 119.914 0.201 0.000 2.383 219 V HA 0.223 4.342 4.120 -0.001 0.000 0.275 219 V C 0.342 176.596 176.094 0.266 0.000 1.036 219 V CA -0.634 61.829 62.300 0.271 0.000 0.889 219 V CB 0.828 32.776 31.823 0.208 0.000 0.985 219 V HN 0.271 nan 8.190 nan 0.000 0.459 220 L N 5.541 126.934 121.223 0.284 0.000 2.292 220 L HA 0.502 4.842 4.340 -0.001 0.000 0.284 220 L C -0.258 176.758 176.870 0.244 0.000 1.065 220 L CA -0.672 54.302 54.840 0.223 0.000 0.806 220 L CB 1.619 43.789 42.059 0.186 0.000 1.175 220 L HN 0.332 nan 8.230 nan 0.000 0.431 221 V N 4.208 124.239 119.914 0.197 0.000 2.368 221 V HA 0.339 4.459 4.120 -0.001 0.000 0.266 221 V C 0.323 176.523 176.094 0.177 0.000 1.045 221 V CA -0.488 61.926 62.300 0.189 0.000 0.899 221 V CB 0.709 32.619 31.823 0.144 0.000 1.006 221 V HN 0.691 nan 8.190 nan 0.000 0.470 222 R N 4.705 125.337 120.500 0.221 0.000 2.540 222 R HA 0.729 5.068 4.340 -0.001 0.000 0.287 222 R C -0.608 175.851 176.300 0.263 0.000 0.980 222 R CA -0.900 55.330 56.100 0.217 0.000 0.966 222 R CB 1.627 32.051 30.300 0.206 0.000 1.106 222 R HN 0.524 nan 8.270 nan 0.000 0.480 223 R N 0.754 121.374 120.500 0.200 0.000 2.744 223 R HA 0.548 4.887 4.340 -0.001 0.000 0.279 223 R C -0.936 175.466 176.300 0.170 0.000 0.977 223 R CA -0.769 55.445 56.100 0.190 0.000 0.906 223 R CB 2.121 32.494 30.300 0.122 0.000 1.197 223 R HN 0.965 nan 8.270 nan 0.000 0.463 224 S N -1.315 114.500 115.700 0.192 0.000 2.615 224 S HA 0.622 5.091 4.470 -0.001 0.000 0.268 224 S C -0.050 174.640 174.600 0.151 0.000 1.146 224 S CA -0.572 57.717 58.200 0.148 0.000 0.818 224 S CB 1.521 64.789 63.200 0.114 0.000 1.111 224 S HN 0.634 nan 8.310 nan 0.000 0.465 225 G N 0.457 109.322 108.800 0.108 0.000 2.783 225 G HA2 0.569 4.528 3.960 -0.001 0.000 0.182 225 G HA3 0.569 4.528 3.960 -0.001 0.000 0.182 225 G C 1.304 176.266 174.900 0.103 0.000 1.516 225 G CA -0.150 45.005 45.100 0.092 0.000 1.079 225 G HN 1.450 nan 8.290 nan 0.000 0.573 226 A N -1.546 121.319 122.820 0.076 0.000 1.948 226 A HA 0.154 4.473 4.320 -0.001 0.000 0.220 226 A C 0.971 178.602 177.584 0.079 0.000 1.177 226 A CA 1.430 53.511 52.037 0.072 0.000 0.636 226 A CB -0.534 18.496 19.000 0.050 0.000 0.815 226 A HN 0.486 nan 8.150 nan 0.000 0.449 227 V N -0.409 119.544 119.914 0.065 0.000 2.448 227 V HA 0.614 4.734 4.120 -0.001 0.000 0.295 227 V C 0.191 176.301 176.094 0.026 0.000 1.025 227 V CA -0.466 61.861 62.300 0.044 0.000 0.859 227 V CB 1.119 32.961 31.823 0.031 0.000 0.988 227 V HN 0.513 nan 8.190 nan 0.000 0.431 228 A N 4.998 127.810 122.820 -0.013 0.000 2.301 228 A HA 0.828 5.148 4.320 -0.001 0.000 0.312 228 A C -0.879 176.666 177.584 -0.065 0.000 1.182 228 A CA -0.426 51.548 52.037 -0.104 0.000 0.826 228 A CB 1.000 19.829 19.000 -0.286 0.000 1.134 228 A HN 0.801 nan 8.150 nan 0.000 0.501 229 L N 2.864 124.054 121.223 -0.055 0.000 2.317 229 L HA 0.754 5.093 4.340 -0.001 0.000 0.281 229 L C -0.302 176.555 176.870 -0.021 0.000 1.024 229 L CA -0.047 54.785 54.840 -0.013 0.000 0.810 229 L CB 0.985 43.051 42.059 0.013 0.000 1.240 229 L HN 0.754 nan 8.230 nan 0.000 0.427 230 R N 2.913 123.417 120.500 0.006 0.000 2.707 230 R HA 0.373 4.712 4.340 -0.001 0.000 0.272 230 R C -0.182 176.156 176.300 0.063 0.000 1.011 230 R CA -0.496 55.613 56.100 0.016 0.000 0.893 230 R CB 1.525 31.825 30.300 0.000 0.000 1.233 230 R HN 0.651 nan 8.270 nan 0.000 0.464 231 S N -0.206 115.537 115.700 0.071 0.000 3.635 231 S HA -0.210 4.259 4.470 -0.001 0.000 0.328 231 S C -0.106 174.623 174.600 0.215 0.000 1.135 231 S CA 0.708 58.974 58.200 0.110 0.000 0.942 231 S CB -0.863 62.420 63.200 0.140 0.000 0.930 231 S HN 0.812 nan 8.310 nan 0.000 0.512 232 A N 2.252 125.156 122.820 0.141 0.000 2.450 232 A HA 0.565 4.884 4.320 -0.001 0.000 0.255 232 A C 0.273 177.954 177.584 0.162 0.000 1.096 232 A CA 0.608 52.716 52.037 0.118 0.000 0.778 232 A CB 0.181 19.209 19.000 0.047 0.000 1.031 232 A HN 0.968 nan 8.150 nan 0.000 0.494 233 H N -1.132 117.899 119.070 -0.066 0.000 2.948 233 H HA 0.636 5.191 4.556 -0.001 0.000 0.315 233 H C -2.122 173.084 175.328 -0.203 0.000 1.360 233 H CA -1.156 54.822 56.048 -0.117 0.000 1.125 233 H CB 0.913 30.615 29.762 -0.099 0.000 1.844 233 H HN 0.480 nan 8.280 nan 0.000 0.529 234 V N 2.287 122.037 119.914 -0.273 0.000 2.419 234 V HA 0.249 4.369 4.120 -0.001 0.000 0.287 234 V C 0.465 176.338 176.094 -0.368 0.000 1.017 234 V CA -0.585 61.397 62.300 -0.530 0.000 0.844 234 V CB 1.038 32.154 31.823 -1.177 0.000 1.011 234 V HN 0.559 nan 8.190 nan 0.000 0.429 235 I N 5.494 125.904 120.570 -0.266 0.000 2.533 235 I HA 0.248 4.417 4.170 -0.001 0.000 0.284 235 I C 0.257 176.252 176.117 -0.202 0.000 1.109 235 I CA 0.249 61.450 61.300 -0.165 0.000 1.412 235 I CB 0.930 38.868 38.000 -0.103 0.000 1.396 235 I HN 0.795 nan 8.210 nan 0.000 0.543 236 Q N 6.057 125.766 119.800 -0.152 0.000 2.356 236 Q HA 0.664 5.004 4.340 -0.001 0.000 0.270 236 Q C -0.952 175.003 176.000 -0.075 0.000 1.058 236 Q CA -1.134 54.599 55.803 -0.118 0.000 0.802 236 Q CB 2.162 30.873 28.738 -0.046 0.000 1.303 236 Q HN 0.351 nan 8.270 nan 0.000 0.444 237 K N 2.416 122.775 120.400 -0.068 0.000 2.545 237 K HA 0.526 4.846 4.320 -0.001 0.000 0.252 237 K C -1.881 174.698 176.600 -0.035 0.000 0.948 237 K CA -0.666 55.594 56.287 -0.045 0.000 0.827 237 K CB 1.231 33.709 32.500 -0.036 0.000 1.128 237 K HN 0.685 nan 8.250 nan 0.000 0.429 238 L N 4.295 125.506 121.223 -0.019 0.000 2.343 238 L HA 0.496 4.835 4.340 -0.001 0.000 0.275 238 L C -0.324 176.562 176.870 0.027 0.000 1.056 238 L CA -0.204 54.635 54.840 -0.003 0.000 0.804 238 L CB 1.021 43.077 42.059 -0.005 0.000 1.203 238 L HN 0.941 nan 8.230 nan 0.000 0.440 239 N N 0.991 119.729 118.700 0.063 0.000 2.371 239 N HA -0.028 4.711 4.740 -0.001 0.000 0.243 239 N C 0.876 176.421 175.510 0.058 0.000 1.287 239 N CA 0.448 53.540 53.050 0.071 0.000 0.911 239 N CB 0.163 38.711 38.487 0.101 0.000 1.142 239 N HN 0.628 nan 8.380 nan 0.000 0.451 240 S N -0.619 115.113 115.700 0.053 0.000 2.419 240 S HA -0.130 4.340 4.470 -0.001 0.000 0.233 240 S C 1.705 176.348 174.600 0.071 0.000 1.016 240 S CA 0.787 59.020 58.200 0.055 0.000 0.974 240 S CB -0.796 62.432 63.200 0.048 0.000 0.786 240 S HN 0.791 nan 8.310 nan 0.000 0.492 241 A N 1.237 124.101 122.820 0.074 0.000 2.119 241 A HA 0.431 4.751 4.320 -0.001 0.000 0.217 241 A C 1.472 179.119 177.584 0.106 0.000 1.153 241 A CA 0.831 52.920 52.037 0.086 0.000 0.692 241 A CB -0.757 18.287 19.000 0.074 0.000 0.799 241 A HN 0.879 nan 8.150 nan 0.000 0.458 242 L N -1.573 119.709 121.223 0.099 0.000 4.560 242 L HA -0.231 4.108 4.340 -0.001 0.000 0.415 242 L C 0.445 177.385 176.870 0.117 0.000 1.123 242 L CA 0.728 55.629 54.840 0.102 0.000 0.991 242 L CB -1.965 40.179 42.059 0.142 0.000 2.127 242 L HN 0.697 nan 8.230 nan 0.000 0.765 243 D N -1.550 118.922 120.400 0.120 0.000 2.431 243 D HA 0.174 4.813 4.640 -0.001 0.000 0.213 243 D C 0.372 176.775 176.300 0.171 0.000 1.130 243 D CA 0.201 54.278 54.000 0.128 0.000 0.834 243 D CB 0.163 41.029 40.800 0.110 0.000 0.985 243 D HN 0.586 nan 8.370 nan 0.000 0.504 244 H N -0.244 118.851 119.070 0.042 0.000 3.029 244 H HA 0.663 5.219 4.556 -0.001 0.000 0.358 244 H C -1.775 173.566 175.328 0.022 0.000 1.129 244 H CA -0.497 55.568 56.048 0.029 0.000 1.230 244 H CB 1.838 31.613 29.762 0.020 0.000 1.827 244 H HN 0.085 nan 8.280 nan 0.000 0.530 245 A N 3.812 126.316 122.820 -0.527 0.000 2.401 245 A HA 0.527 4.846 4.320 -0.001 0.000 0.310 245 A C -1.209 176.077 177.584 -0.496 0.000 1.075 245 A CA -0.819 51.008 52.037 -0.350 0.000 0.746 245 A CB 1.382 20.284 19.000 -0.164 0.000 1.277 245 A HN 0.752 nan 8.150 nan 0.000 0.425 246 D N 1.466 121.725 120.400 -0.235 0.000 2.278 246 D HA 0.520 5.159 4.640 -0.001 0.000 0.245 246 D C -0.968 175.248 176.300 -0.140 0.000 1.052 246 D CA 0.076 53.983 54.000 -0.154 0.000 0.834 246 D CB 1.784 42.556 40.800 -0.047 0.000 1.194 246 D HN 0.417 nan 8.370 nan 0.000 0.481 247 L N 1.591 122.723 121.223 -0.153 0.000 2.333 247 L HA 0.383 4.722 4.340 -0.001 0.000 0.280 247 L C 0.070 176.837 176.870 -0.171 0.000 1.004 247 L CA -0.571 54.147 54.840 -0.204 0.000 0.820 247 L CB 1.831 43.738 42.059 -0.253 0.000 1.247 247 L HN 0.114 nan 8.230 nan 0.000 0.416 248 T N 2.539 116.984 114.554 -0.183 0.000 2.821 248 T HA 0.361 4.711 4.350 -0.001 0.000 0.307 248 T C 0.047 174.622 174.700 -0.208 0.000 1.034 248 T CA -0.381 61.637 62.100 -0.137 0.000 0.953 248 T CB 1.461 70.272 68.868 -0.096 0.000 0.968 248 T HN 0.168 nan 8.240 nan 0.000 0.462 249 V N 4.927 124.734 119.914 -0.178 0.000 2.530 249 V HA 0.366 4.486 4.120 -0.001 0.000 0.282 249 V C 0.304 176.362 176.094 -0.060 0.000 1.048 249 V CA -0.291 61.862 62.300 -0.245 0.000 0.997 249 V CB 0.820 32.374 31.823 -0.448 0.000 0.987 249 V HN 0.711 nan 8.190 nan 0.000 0.477 250 K N 3.090 123.326 120.400 -0.274 0.000 2.371 250 K HA 0.882 5.202 4.320 -0.001 0.000 0.251 250 K C -0.846 175.689 176.600 -0.108 0.000 0.934 250 K CA -0.552 55.617 56.287 -0.197 0.000 0.798 250 K CB 2.480 34.750 32.500 -0.385 0.000 1.204 250 K HN 0.813 nan 8.250 nan 0.000 0.427 251 A N 2.137 125.001 122.820 0.072 0.000 2.547 251 A HA 0.464 4.783 4.320 -0.001 0.000 0.297 251 A C -1.788 175.851 177.584 0.092 0.000 1.056 251 A CA -0.924 51.179 52.037 0.110 0.000 0.688 251 A CB 1.202 20.290 19.000 0.147 0.000 1.282 251 A HN 0.620 nan 8.150 nan 0.000 0.400 252 D N 1.058 121.510 120.400 0.088 0.000 2.175 252 D HA 0.526 5.166 4.640 -0.001 0.000 0.248 252 D C -0.106 176.214 176.300 0.035 0.000 1.047 252 D CA 0.081 54.115 54.000 0.056 0.000 0.883 252 D CB 1.889 42.724 40.800 0.058 0.000 1.180 252 D HN 0.736 nan 8.370 nan 0.000 0.438 253 V N -0.318 119.607 119.914 0.018 0.000 2.656 253 V HA 0.674 4.794 4.120 -0.001 0.000 0.307 253 V C -0.378 175.718 176.094 0.003 0.000 1.051 253 V CA -1.050 61.256 62.300 0.009 0.000 0.893 253 V CB 2.097 33.926 31.823 0.010 0.000 0.999 253 V HN 0.473 nan 8.190 nan 0.000 0.426 254 R N 3.096 123.596 120.500 0.001 0.000 2.476 254 R HA 0.463 4.802 4.340 -0.001 0.000 0.305 254 R C -0.925 175.390 176.300 0.025 0.000 0.965 254 R CA -0.511 55.594 56.100 0.009 0.000 0.867 254 R CB 1.466 31.768 30.300 0.003 0.000 1.176 254 R HN 0.901 nan 8.270 nan 0.000 0.447 255 N N 3.272 121.990 118.700 0.029 0.000 2.521 255 N HA 0.050 4.789 4.740 -0.001 0.000 0.236 255 N C -0.618 174.924 175.510 0.054 0.000 1.067 255 N CA -0.148 52.925 53.050 0.039 0.000 0.939 255 N CB 1.085 39.587 38.487 0.026 0.000 1.201 255 N HN 0.555 nan 8.380 nan 0.000 0.511 256 D N 0.119 120.570 120.400 0.085 0.000 2.340 256 D HA -0.041 4.598 4.640 -0.001 0.000 0.220 256 D C 0.588 176.933 176.300 0.074 0.000 1.039 256 D CA 0.280 54.342 54.000 0.104 0.000 0.866 256 D CB 0.164 41.082 40.800 0.196 0.000 0.913 256 D HN 0.603 nan 8.370 nan 0.000 0.523 257 S N -0.328 115.409 115.700 0.061 0.000 2.655 257 S HA 0.426 4.895 4.470 -0.001 0.000 0.265 257 S C 1.335 175.954 174.600 0.031 0.000 1.240 257 S CA -0.133 58.093 58.200 0.044 0.000 0.986 257 S CB 1.914 65.138 63.200 0.041 0.000 0.985 257 S HN -0.000 nan 8.310 nan 0.000 0.562 258 A N 0.988 123.823 122.820 0.025 0.000 2.167 258 A HA 0.247 4.567 4.320 -0.001 0.000 0.214 258 A C 0.445 178.039 177.584 0.016 0.000 1.151 258 A CA 0.207 52.255 52.037 0.018 0.000 0.735 258 A CB -0.944 18.066 19.000 0.015 0.000 0.802 258 A HN 0.849 nan 8.150 nan 0.000 0.467 259 N N -1.733 116.977 118.700 0.018 0.000 2.312 259 N HA 0.580 5.320 4.740 -0.001 0.000 0.296 259 N C -0.503 175.016 175.510 0.015 0.000 1.193 259 N CA -0.125 52.934 53.050 0.015 0.000 0.773 259 N CB 1.522 40.017 38.487 0.014 0.000 1.435 259 N HN 0.197 nan 8.380 nan 0.000 0.484 260 A N 0.499 123.326 122.820 0.011 0.000 2.498 260 A HA 0.439 4.759 4.320 -0.001 0.000 0.239 260 A C 0.140 177.730 177.584 0.010 0.000 1.068 260 A CA -0.075 51.967 52.037 0.009 0.000 0.766 260 A CB -0.314 18.689 19.000 0.005 0.000 1.003 260 A HN 0.550 nan 8.150 nan 0.000 0.497 261 V N 0.021 119.941 119.914 0.010 0.000 3.102 261 V HA 0.636 4.756 4.120 -0.001 0.000 0.312 261 V C -0.607 175.491 176.094 0.006 0.000 1.135 261 V CA -0.979 61.327 62.300 0.011 0.000 1.022 261 V CB 1.797 33.630 31.823 0.016 0.000 1.056 261 V HN 0.858 nan 8.190 nan 0.000 0.436 262 Q N 1.024 120.828 119.800 0.006 0.000 2.271 262 Q HA 0.582 4.922 4.340 -0.001 0.000 0.258 262 Q C -0.797 175.207 176.000 0.005 0.000 0.936 262 Q CA -0.233 55.571 55.803 0.001 0.000 0.909 262 Q CB 2.043 30.782 28.738 0.001 0.000 1.253 262 Q HN 0.973 nan 8.270 nan 0.000 0.440 263 T N 1.067 115.622 114.554 0.001 0.000 2.876 263 T HA 0.451 4.801 4.350 -0.001 0.000 0.289 263 T C -0.914 173.789 174.700 0.005 0.000 1.014 263 T CA -0.324 61.781 62.100 0.008 0.000 0.986 263 T CB 1.292 70.167 68.868 0.012 0.000 1.021 263 T HN 0.402 nan 8.240 nan 0.000 0.458 264 T N 3.773 118.339 114.554 0.019 0.000 2.770 264 T HA 0.495 4.845 4.350 -0.001 0.000 0.283 264 T C -0.401 174.332 174.700 0.056 0.000 0.988 264 T CA -0.462 61.654 62.100 0.027 0.000 0.957 264 T CB 0.942 69.829 68.868 0.031 0.000 0.930 264 T HN 0.472 nan 8.240 nan 0.000 0.443 265 V N 3.198 123.160 119.914 0.079 0.000 2.333 265 V HA 0.788 4.908 4.120 -0.001 0.000 0.274 265 V C 0.246 176.505 176.094 0.276 0.000 1.028 265 V CA -0.573 61.828 62.300 0.169 0.000 0.851 265 V CB 0.400 32.351 31.823 0.213 0.000 1.000 265 V HN 1.080 nan 8.190 nan 0.000 0.456 266 A N 3.619 126.543 122.820 0.175 0.000 2.556 266 A HA 1.066 5.385 4.320 -0.001 0.000 0.294 266 A C 0.108 177.719 177.584 0.046 0.000 1.091 266 A CA 0.040 52.157 52.037 0.133 0.000 0.704 266 A CB 2.173 21.231 19.000 0.098 0.000 1.300 266 A HN 1.473 nan 8.150 nan 0.000 0.406 267 G N -0.677 108.122 108.800 -0.001 0.000 2.513 267 G HA2 0.610 4.570 3.960 -0.001 0.000 0.182 267 G HA3 0.610 4.570 3.960 -0.001 0.000 0.182 267 G C -0.450 174.419 174.900 -0.052 0.000 1.190 267 G CA 0.737 45.822 45.100 -0.023 0.000 0.987 267 G HN 2.074 nan 8.290 nan 0.000 0.479 268 T N -2.613 111.908 114.554 -0.056 0.000 2.909 268 T HA 0.721 5.070 4.350 -0.001 0.000 0.299 268 T C -1.410 173.259 174.700 -0.051 0.000 1.073 268 T CA -0.481 61.593 62.100 -0.044 0.000 0.999 268 T CB 2.005 70.875 68.868 0.003 0.000 1.098 268 T HN 1.744 nan 8.240 nan 0.000 0.477 269 V N 2.504 122.387 119.914 -0.052 0.000 2.483 269 V HA 0.640 4.759 4.120 -0.001 0.000 0.297 269 V C 0.554 176.683 176.094 0.058 0.000 1.027 269 V CA 0.309 62.612 62.300 0.005 0.000 0.855 269 V CB 0.419 32.161 31.823 -0.136 0.000 0.995 269 V HN 2.161 nan 8.190 nan 0.000 0.424 270 A N 4.804 127.723 122.820 0.164 0.000 2.822 270 A HA 0.032 4.352 4.320 -0.001 0.000 0.287 270 A C 1.829 179.471 177.584 0.097 0.000 1.479 270 A CA 1.608 53.708 52.037 0.105 0.000 0.779 270 A CB -1.798 17.033 19.000 -0.283 0.000 1.022 270 A HN 2.875 nan 8.150 nan 0.000 0.532 271 G N -2.284 106.577 108.800 0.102 0.000 2.176 271 G HA2 -0.243 3.716 3.960 -0.001 0.000 0.253 271 G HA3 -0.243 3.716 3.960 -0.001 0.000 0.253 271 G C -0.002 174.920 174.900 0.038 0.000 0.979 271 G CA 1.048 46.194 45.100 0.076 0.000 0.641 271 G HN 1.293 nan 8.290 nan 0.000 0.530 272 K N 1.168 121.576 120.400 0.014 0.000 2.259 272 K HA 0.583 4.903 4.320 -0.001 0.000 0.252 272 K C -2.727 173.863 176.600 -0.018 0.000 0.936 272 K CA -2.087 54.198 56.287 -0.003 0.000 0.810 272 K CB 2.866 35.355 32.500 -0.019 0.000 1.143 272 K HN 0.042 nan 8.250 nan 0.000 0.427 273 P HA 0.307 nan 4.420 nan 0.000 0.284 273 P C -0.824 176.469 177.300 -0.011 0.000 1.253 273 P CA -0.468 62.628 63.100 -0.008 0.000 0.800 273 P CB 0.596 32.303 31.700 0.012 0.000 0.961 274 I N -1.696 118.859 120.570 -0.025 0.000 2.769 274 I HA 0.816 4.985 4.170 -0.001 0.000 0.298 274 I C -0.977 175.227 176.117 0.145 0.000 1.128 274 I CA -0.918 60.389 61.300 0.013 0.000 1.031 274 I CB 2.594 40.444 38.000 -0.249 0.000 1.235 274 I HN 0.262 nan 8.210 nan 0.000 0.423 275 S N 3.082 118.985 115.700 0.339 0.000 2.563 275 S HA 0.498 4.967 4.470 -0.001 0.000 0.279 275 S C -1.675 173.051 174.600 0.210 0.000 1.155 275 S CA -0.517 57.867 58.200 0.307 0.000 0.928 275 S CB 1.614 64.896 63.200 0.136 0.000 1.107 275 S HN 0.712 nan 8.310 nan 0.000 0.462 276 Q N 2.203 122.042 119.800 0.066 0.000 2.359 276 Q HA 0.496 4.836 4.340 -0.001 0.000 0.274 276 Q C -1.266 174.669 176.000 -0.107 0.000 1.074 276 Q CA -0.637 55.052 55.803 -0.189 0.000 0.810 276 Q CB 2.302 30.664 28.738 -0.628 0.000 1.342 276 Q HN 0.692 nan 8.270 nan 0.000 0.427 277 T N 1.338 115.838 114.554 -0.090 0.000 2.807 277 T HA 0.650 4.999 4.350 -0.001 0.000 0.279 277 T C -0.121 174.538 174.700 -0.068 0.000 0.993 277 T CA -0.580 61.487 62.100 -0.055 0.000 0.970 277 T CB 1.243 70.095 68.868 -0.027 0.000 0.950 277 T HN 0.442 nan 8.240 nan 0.000 0.441 278 V N 0.309 120.189 119.914 -0.057 0.000 3.040 278 V HA 0.849 4.968 4.120 -0.001 0.000 0.312 278 V C -0.273 175.802 176.094 -0.031 0.000 1.115 278 V CA -0.953 61.315 62.300 -0.054 0.000 0.998 278 V CB 2.171 33.953 31.823 -0.068 0.000 1.042 278 V HN 0.742 nan 8.190 nan 0.000 0.433 279 S N 2.729 118.413 115.700 -0.026 0.000 2.554 279 S HA 0.815 5.285 4.470 -0.001 0.000 0.278 279 S C -0.506 174.086 174.600 -0.014 0.000 1.242 279 S CA -0.482 57.708 58.200 -0.016 0.000 1.051 279 S CB 0.800 63.992 63.200 -0.014 0.000 0.986 279 S HN 0.657 nan 8.310 nan 0.000 0.502 280 L N 2.316 123.536 121.223 -0.006 0.000 2.406 280 L HA 0.580 4.920 4.340 -0.001 0.000 0.272 280 L C 0.331 177.202 176.870 0.002 0.000 0.980 280 L CA -0.824 54.014 54.840 -0.003 0.000 0.831 280 L CB 1.554 43.614 42.059 0.002 0.000 1.253 280 L HN 0.737 nan 8.230 nan 0.000 0.406 281 A N 2.424 125.244 122.820 0.000 0.000 2.475 281 A HA 0.568 4.888 4.320 -0.001 0.000 0.239 281 A C 0.690 178.279 177.584 0.008 0.000 1.087 281 A CA 0.228 52.266 52.037 0.003 0.000 0.779 281 A CB 0.277 19.277 19.000 0.000 0.000 1.036 281 A HN 0.848 nan 8.150 nan 0.000 0.506 282 A N 0.973 123.799 122.820 0.010 0.000 2.546 282 A HA 0.440 4.759 4.320 -0.001 0.000 0.243 282 A C 1.060 178.653 177.584 0.015 0.000 1.063 282 A CA 0.629 52.675 52.037 0.015 0.000 0.757 282 A CB -0.130 18.879 19.000 0.014 0.000 0.991 282 A HN 1.095 nan 8.150 nan 0.000 0.503 283 K N -0.336 120.077 120.400 0.021 0.000 3.553 283 K HA -0.161 4.158 4.320 -0.001 0.000 0.303 283 K C 0.144 176.754 176.600 0.016 0.000 1.327 283 K CA 1.668 57.968 56.287 0.022 0.000 0.983 283 K CB -1.588 30.922 32.500 0.016 0.000 1.275 283 K HN 1.001 nan 8.250 nan 0.000 0.453 284 E N 1.263 121.470 120.200 0.011 0.000 2.313 284 E HA 0.231 4.580 4.350 -0.001 0.000 0.276 284 E C -0.221 176.382 176.600 0.005 0.000 1.031 284 E CA -0.346 56.056 56.400 0.004 0.000 0.857 284 E CB 0.781 30.481 29.700 -0.000 0.000 1.040 284 E HN 0.170 nan 8.360 nan 0.000 0.408 285 R N 3.710 124.209 120.500 -0.001 0.000 2.494 285 R HA 0.362 4.701 4.340 -0.001 0.000 0.305 285 R C -0.974 175.322 176.300 -0.007 0.000 0.959 285 R CA -0.589 55.509 56.100 -0.003 0.000 0.864 285 R CB 0.972 31.269 30.300 -0.005 0.000 1.159 285 R HN 0.430 nan 8.270 nan 0.000 0.446 286 K N 1.671 122.067 120.400 -0.006 0.000 2.435 286 K HA 0.325 4.645 4.320 -0.001 0.000 0.251 286 K C -1.143 175.455 176.600 -0.003 0.000 0.954 286 K CA -0.879 55.401 56.287 -0.011 0.000 0.820 286 K CB 2.595 35.082 32.500 -0.022 0.000 1.292 286 K HN 0.481 nan 8.250 nan 0.000 0.436 287 T N 1.598 116.151 114.554 -0.001 0.000 2.744 287 T HA 0.214 4.563 4.350 -0.001 0.000 0.291 287 T C -0.278 174.406 174.700 -0.026 0.000 0.957 287 T CA -0.531 61.576 62.100 0.012 0.000 1.002 287 T CB 0.789 69.680 68.868 0.038 0.000 0.919 287 T HN 0.132 nan 8.240 nan 0.000 0.468 288 V N 4.772 124.661 119.914 -0.041 0.000 2.406 288 V HA 0.304 4.424 4.120 -0.001 0.000 0.272 288 V C 0.601 176.618 176.094 -0.127 0.000 1.043 288 V CA -0.417 61.800 62.300 -0.138 0.000 0.915 288 V CB 1.241 32.945 31.823 -0.198 0.000 0.988 288 V HN 0.922 nan 8.190 nan 0.000 0.466 289 T N 6.254 120.709 114.554 -0.165 0.000 2.758 289 T HA 0.556 4.905 4.350 -0.001 0.000 0.285 289 T C -0.370 174.228 174.700 -0.169 0.000 0.981 289 T CA -0.086 61.959 62.100 -0.091 0.000 0.965 289 T CB 0.433 69.269 68.868 -0.054 0.000 0.927 289 T HN 0.279 nan 8.240 nan 0.000 0.448 290 F N 3.630 123.529 119.950 -0.085 0.000 2.389 290 F HA 0.365 4.892 4.527 -0.001 0.000 0.337 290 F C -1.610 174.150 175.800 -0.066 0.000 1.112 290 F CA -2.293 55.664 58.000 -0.072 0.000 1.192 290 F CB 0.264 39.214 39.000 -0.084 0.000 1.185 290 F HN 0.345 nan 8.300 nan 0.000 0.552 291 P HA -0.054 nan 4.420 nan 0.000 0.265 291 P C -0.477 176.856 177.300 0.056 0.000 1.187 291 P CA -0.241 62.892 63.100 0.055 0.000 0.766 291 P CB 0.407 32.134 31.700 0.045 0.000 0.820 292 L N 4.081 125.317 121.223 0.021 0.000 2.593 292 L HA -0.040 4.299 4.340 -0.001 0.000 0.287 292 L C -0.420 176.449 176.870 -0.000 0.000 1.243 292 L CA 0.881 55.722 54.840 0.001 0.000 0.890 292 L CB 0.196 42.257 42.059 0.004 0.000 1.134 292 L HN 0.088 nan 8.230 nan 0.000 0.502 293 V N 5.188 125.082 119.914 -0.033 0.000 2.409 293 V HA 0.562 4.682 4.120 -0.001 0.000 0.291 293 V C 0.659 176.721 176.094 -0.054 0.000 1.020 293 V CA -0.323 61.953 62.300 -0.040 0.000 0.848 293 V CB 1.232 33.010 31.823 -0.075 0.000 0.990 293 V HN 0.941 nan 8.190 nan 0.000 0.430 294 G N 3.786 112.582 108.800 -0.007 0.000 2.415 294 G HA2 0.549 4.508 3.960 -0.001 0.000 0.269 294 G HA3 0.549 4.508 3.960 -0.001 0.000 0.269 294 G C -1.112 173.741 174.900 -0.078 0.000 1.209 294 G CA -0.289 44.806 45.100 -0.008 0.000 0.835 294 G HN 0.608 nan 8.290 nan 0.000 0.534 295 L N 1.957 123.023 121.223 -0.261 0.000 2.372 295 L HA 0.439 4.778 4.340 -0.001 0.000 0.273 295 L C -1.038 175.757 176.870 -0.124 0.000 0.989 295 L CA -0.766 53.967 54.840 -0.179 0.000 0.841 295 L CB 1.667 43.589 42.059 -0.228 0.000 1.225 295 L HN 0.357 nan 8.230 nan 0.000 0.414 296 D N 4.921 125.354 120.400 0.055 0.000 2.264 296 D HA 0.342 4.981 4.640 -0.001 0.000 0.249 296 D C 0.126 176.481 176.300 0.093 0.000 1.070 296 D CA -0.159 53.928 54.000 0.144 0.000 0.912 296 D CB 0.972 41.862 40.800 0.149 0.000 1.193 296 D HN 0.361 nan 8.370 nan 0.000 0.427 297 R N -0.264 120.300 120.500 0.107 0.000 3.251 297 R HA -0.116 4.224 4.340 -0.001 0.000 0.249 297 R C -2.244 174.118 176.300 0.103 0.000 0.949 297 R CA 0.086 56.243 56.100 0.095 0.000 0.645 297 R CB -2.610 27.736 30.300 0.077 0.000 1.065 297 R HN 0.435 nan 8.270 nan 0.000 0.452 298 P HA 0.007 nan 4.420 nan 0.000 0.269 298 P C 0.091 177.508 177.300 0.195 0.000 1.209 298 P CA -0.215 62.992 63.100 0.179 0.000 0.776 298 P CB 0.583 32.364 31.700 0.136 0.000 0.876 299 N N 2.356 121.193 118.700 0.228 0.000 2.739 299 N HA 0.067 4.806 4.740 -0.001 0.000 0.266 299 N C -0.556 175.055 175.510 0.168 0.000 1.168 299 N CA -0.069 53.004 53.050 0.039 0.000 1.055 299 N CB -0.648 37.585 38.487 -0.424 0.000 1.393 299 N HN 0.046 nan 8.380 nan 0.000 0.514 300 V N 3.438 123.467 119.914 0.191 0.000 2.599 300 V HA -0.100 4.019 4.120 -0.001 0.000 0.300 300 V C 0.621 176.780 176.094 0.108 0.000 1.034 300 V CA -0.359 62.012 62.300 0.119 0.000 1.115 300 V CB -0.028 31.796 31.823 0.001 0.000 0.934 300 V HN 0.546 nan 8.190 nan 0.000 0.485 301 W N 6.152 127.386 121.300 -0.110 0.000 2.266 301 W HA 0.449 5.108 4.660 -0.001 0.000 0.317 301 W C -0.666 175.689 176.519 -0.272 0.000 1.310 301 W CA -0.445 56.852 57.345 -0.080 0.000 1.207 301 W CB 0.516 29.945 29.460 -0.051 0.000 1.199 301 W HN 0.540 nan 8.180 nan 0.000 0.544 302 W N 7.237 128.219 121.300 -0.530 0.000 2.799 302 W HA 0.405 5.064 4.660 -0.001 0.000 0.349 302 W C -1.821 174.044 176.519 -1.090 0.000 1.100 302 W CA -2.271 54.774 57.345 -0.501 0.000 1.174 302 W CB 0.710 30.004 29.460 -0.276 0.000 1.427 302 W HN 0.171 nan 8.180 nan 0.000 0.547 303 P HA 0.091 nan 4.420 nan 0.000 0.270 303 P C -0.435 176.747 177.300 -0.197 0.000 1.223 303 P CA -0.094 62.853 63.100 -0.254 0.000 0.785 303 P CB 0.348 32.075 31.700 0.044 0.000 0.923 304 A N 2.114 124.835 122.820 -0.164 0.000 2.567 304 A HA 0.366 4.685 4.320 -0.001 0.000 0.240 304 A C 1.575 179.104 177.584 -0.093 0.000 1.053 304 A CA 0.981 52.943 52.037 -0.124 0.000 0.755 304 A CB -1.598 17.353 19.000 -0.081 0.000 0.978 304 A HN 0.884 nan 8.150 nan 0.000 0.507 305 G N 1.369 110.106 108.800 -0.105 0.000 2.217 305 G HA2 -0.284 3.675 3.960 -0.001 0.000 0.246 305 G HA3 -0.284 3.675 3.960 -0.001 0.000 0.246 305 G C 0.656 175.474 174.900 -0.137 0.000 0.990 305 G CA 0.784 45.823 45.100 -0.101 0.000 0.627 305 G HN 0.738 nan 8.290 nan 0.000 0.522 306 M N 0.375 119.883 119.600 -0.153 0.000 2.333 306 M HA 0.477 4.957 4.480 -0.001 0.000 0.257 306 M C 1.163 177.108 176.300 -0.592 0.000 1.078 306 M CA 1.073 56.204 55.300 -0.282 0.000 1.005 306 M CB 1.036 33.589 32.600 -0.078 0.000 1.444 306 M HN 0.967 nan 8.290 nan 0.000 0.496 307 G N -0.502 108.086 108.800 -0.353 0.000 2.356 307 G HA2 0.312 4.271 3.960 -0.001 0.000 0.266 307 G HA3 0.312 4.271 3.960 -0.001 0.000 0.266 307 G C -1.026 173.810 174.900 -0.106 0.000 1.312 307 G CA -0.600 44.293 45.100 -0.345 0.000 0.922 307 G HN 0.230 nan 8.290 nan 0.000 0.480 308 G N -1.556 107.249 108.800 0.008 0.000 2.557 308 G HA2 0.506 4.466 3.960 -0.001 0.000 0.292 308 G HA3 0.506 4.466 3.960 -0.001 0.000 0.292 308 G C -0.146 174.685 174.900 -0.116 0.000 1.237 308 G CA -0.078 45.007 45.100 -0.024 0.000 0.978 308 G HN 0.520 nan 8.290 nan 0.000 0.498 309 Q N -0.953 118.766 119.800 -0.135 0.000 2.155 309 Q HA 0.186 4.525 4.340 -0.001 0.000 0.273 309 Q C -0.275 175.815 176.000 0.149 0.000 0.857 309 Q CA -0.441 55.204 55.803 -0.263 0.000 1.116 309 Q CB 0.305 28.953 28.738 -0.151 0.000 1.209 309 Q HN 0.719 nan 8.270 nan 0.000 0.460 310 H N 0.591 119.692 119.070 0.052 0.000 2.928 310 H HA 0.242 4.797 4.556 -0.001 0.000 0.338 310 H C -0.403 174.942 175.328 0.029 0.000 1.047 310 H CA 0.650 56.684 56.048 -0.023 0.000 1.435 310 H CB 0.506 30.168 29.762 -0.167 0.000 1.428 310 H HN 0.034 nan 8.280 nan 0.000 0.590 311 R N 4.059 124.133 120.500 -0.711 0.000 2.599 311 R HA 0.227 4.566 4.340 -0.001 0.000 0.295 311 R C -0.881 174.784 176.300 -1.059 0.000 0.963 311 R CA -0.857 54.856 56.100 -0.644 0.000 0.883 311 R CB 1.320 31.422 30.300 -0.330 0.000 1.171 311 R HN 0.567 nan 8.270 nan 0.000 0.450 312 Y N 0.527 120.318 120.300 -0.848 0.000 2.295 312 Y HA 0.109 4.659 4.550 -0.001 0.000 0.331 312 Y C 0.700 176.252 175.900 -0.581 0.000 1.311 312 Y CA 0.201 57.869 58.100 -0.720 0.000 1.430 312 Y CB 0.785 38.697 38.460 -0.914 0.000 1.339 312 Y HN 0.352 nan 8.280 nan 0.000 0.552 313 D N 1.402 121.783 120.400 -0.032 0.000 2.185 313 D HA 0.336 4.976 4.640 -0.001 0.000 0.247 313 D C -1.350 175.079 176.300 0.215 0.000 1.027 313 D CA -0.460 53.578 54.000 0.064 0.000 0.861 313 D CB 2.427 43.255 40.800 0.046 0.000 1.202 313 D HN 0.211 nan 8.370 nan 0.000 0.453 314 L N 2.028 123.373 121.223 0.203 0.000 2.333 314 L HA 0.450 4.789 4.340 -0.001 0.000 0.280 314 L C -1.282 175.619 176.870 0.052 0.000 1.004 314 L CA -0.335 54.582 54.840 0.128 0.000 0.820 314 L CB 1.666 43.780 42.059 0.092 0.000 1.247 314 L HN 0.136 nan 8.230 nan 0.000 0.416 315 D N 5.117 125.525 120.400 0.013 0.000 2.686 315 D HA 0.513 5.153 4.640 -0.001 0.000 0.249 315 D C -1.623 174.668 176.300 -0.015 0.000 1.260 315 D CA -0.067 53.939 54.000 0.010 0.000 0.910 315 D CB 1.113 41.925 40.800 0.020 0.000 1.323 315 D HN 0.567 nan 8.370 nan 0.000 0.561 316 L N 2.080 123.300 121.223 -0.005 0.000 2.388 316 L HA 0.625 4.964 4.340 -0.001 0.000 0.264 316 L C -0.229 176.657 176.870 0.026 0.000 0.998 316 L CA -0.751 54.089 54.840 -0.000 0.000 0.817 316 L CB 2.633 44.689 42.059 -0.005 0.000 1.338 316 L HN 0.261 nan 8.230 nan 0.000 0.414 317 T N 1.321 115.899 114.554 0.039 0.000 2.848 317 T HA 0.610 4.959 4.350 -0.001 0.000 0.285 317 T C -0.459 174.275 174.700 0.058 0.000 0.995 317 T CA -0.484 61.643 62.100 0.044 0.000 0.970 317 T CB 1.853 70.745 68.868 0.040 0.000 0.976 317 T HN 0.619 nan 8.240 nan 0.000 0.441 318 A N 2.701 125.552 122.820 0.052 0.000 2.276 318 A HA 0.722 5.042 4.320 -0.001 0.000 0.300 318 A C 0.177 177.786 177.584 0.042 0.000 1.235 318 A CA -0.447 51.620 52.037 0.051 0.000 0.867 318 A CB 0.406 19.431 19.000 0.043 0.000 1.137 318 A HN 0.675 nan 8.150 nan 0.000 0.527 319 S N 0.740 116.464 115.700 0.041 0.000 2.503 319 S HA 0.672 5.141 4.470 -0.001 0.000 0.301 319 S C -0.613 174.006 174.600 0.031 0.000 1.087 319 S CA -0.464 57.758 58.200 0.036 0.000 1.042 319 S CB 1.617 64.839 63.200 0.036 0.000 1.043 319 S HN 0.629 nan 8.310 nan 0.000 0.489 320 V N 1.523 121.456 119.914 0.030 0.000 2.638 320 V HA 0.671 4.790 4.120 -0.001 0.000 0.306 320 V C 0.766 176.875 176.094 0.025 0.000 1.052 320 V CA -0.262 62.054 62.300 0.027 0.000 0.885 320 V CB 1.128 32.968 31.823 0.029 0.000 0.999 320 V HN 1.209 nan 8.190 nan 0.000 0.424 321 G N 3.160 111.973 108.800 0.021 0.000 2.249 321 G HA2 0.056 4.015 3.960 -0.001 0.000 0.273 321 G HA3 0.056 4.015 3.960 -0.001 0.000 0.273 321 G C 1.104 176.017 174.900 0.021 0.000 1.036 321 G CA 0.633 45.745 45.100 0.020 0.000 0.824 321 G HN 2.486 nan 8.290 nan 0.000 0.504 322 G N -2.388 106.425 108.800 0.022 0.000 2.198 322 G HA2 0.046 4.005 3.960 -0.001 0.000 0.260 322 G HA3 0.046 4.005 3.960 -0.001 0.000 0.260 322 G C 0.219 175.134 174.900 0.025 0.000 1.025 322 G CA 0.959 46.072 45.100 0.023 0.000 0.769 322 G HN 1.716 nan 8.290 nan 0.000 0.507 323 T N 0.749 115.319 114.554 0.027 0.000 2.916 323 T HA 0.558 4.907 4.350 -0.001 0.000 0.298 323 T C -2.788 171.932 174.700 0.033 0.000 1.031 323 T CA -0.947 61.171 62.100 0.029 0.000 0.993 323 T CB 2.945 71.830 68.868 0.029 0.000 1.045 323 T HN -0.022 nan 8.240 nan 0.000 0.454 324 P HA 0.135 nan 4.420 nan 0.000 0.265 324 P C 0.249 177.574 177.300 0.041 0.000 1.193 324 P CA 0.235 63.358 63.100 0.038 0.000 0.765 324 P CB 0.705 32.428 31.700 0.038 0.000 0.823 325 S N 1.173 116.899 115.700 0.042 0.000 2.545 325 S HA 0.104 4.574 4.470 -0.001 0.000 0.232 325 S C 0.262 174.892 174.600 0.049 0.000 1.070 325 S CA 0.434 58.663 58.200 0.048 0.000 0.923 325 S CB 0.048 63.276 63.200 0.046 0.000 0.806 325 S HN 0.532 nan 8.310 nan 0.000 0.506 326 D N -0.980 119.445 120.400 0.040 0.000 2.639 326 D HA 0.711 5.351 4.640 -0.001 0.000 0.271 326 D C -1.640 174.680 176.300 0.034 0.000 1.254 326 D CA 0.074 54.094 54.000 0.034 0.000 0.810 326 D CB 1.892 42.700 40.800 0.012 0.000 1.351 326 D HN 0.339 nan 8.370 nan 0.000 0.427 327 A N -0.078 122.761 122.820 0.032 0.000 2.604 327 A HA 0.860 5.179 4.320 -0.001 0.000 0.295 327 A C -1.734 175.869 177.584 0.032 0.000 1.067 327 A CA 0.023 52.080 52.037 0.034 0.000 0.683 327 A CB 1.587 20.609 19.000 0.037 0.000 1.281 327 A HN 0.959 nan 8.150 nan 0.000 0.407 328 A N 1.384 124.222 122.820 0.031 0.000 2.517 328 A HA 0.755 5.075 4.320 -0.001 0.000 0.297 328 A C -1.070 176.533 177.584 0.032 0.000 1.050 328 A CA -0.540 51.517 52.037 0.032 0.000 0.694 328 A CB 1.352 20.371 19.000 0.031 0.000 1.277 328 A HN 0.636 nan 8.150 nan 0.000 0.400 329 K N 1.110 121.532 120.400 0.037 0.000 2.270 329 K HA 0.777 5.096 4.320 -0.001 0.000 0.255 329 K C -0.457 176.169 176.600 0.043 0.000 0.936 329 K CA -0.312 55.998 56.287 0.039 0.000 0.809 329 K CB 2.108 34.632 32.500 0.040 0.000 1.131 329 K HN 0.993 nan 8.250 nan 0.000 0.427 330 S N 1.652 117.382 115.700 0.050 0.000 2.752 330 S HA 0.574 5.043 4.470 -0.001 0.000 0.284 330 S C -1.188 173.450 174.600 0.064 0.000 1.189 330 S CA -1.091 57.138 58.200 0.049 0.000 0.835 330 S CB 1.846 65.072 63.200 0.045 0.000 1.192 330 S HN 0.469 nan 8.310 nan 0.000 0.506 331 K N -0.122 120.299 120.400 0.036 0.000 2.400 331 K HA 0.815 5.135 4.320 -0.001 0.000 0.246 331 K C -1.532 175.116 176.600 0.080 0.000 0.995 331 K CA -0.734 55.553 56.287 -0.001 0.000 0.840 331 K CB 1.809 34.254 32.500 -0.093 0.000 1.293 331 K HN 0.711 nan 8.250 nan 0.000 0.445 332 F N -2.353 117.547 119.950 -0.084 0.000 2.668 332 F HA 0.690 5.217 4.527 -0.001 0.000 0.309 332 F C -0.559 175.209 175.800 -0.053 0.000 1.117 332 F CA -1.159 56.776 58.000 -0.110 0.000 0.951 332 F CB 1.226 40.175 39.000 -0.085 0.000 1.323 332 F HN 0.499 nan 8.300 nan 0.000 0.451 333 G N 0.524 109.300 108.800 -0.040 0.000 2.420 333 G HA2 0.581 4.541 3.960 -0.001 0.000 0.331 333 G HA3 0.581 4.541 3.960 -0.001 0.000 0.331 333 G C -1.902 173.070 174.900 0.121 0.000 1.168 333 G CA -1.128 43.926 45.100 -0.075 0.000 0.936 333 G HN 0.679 nan 8.290 nan 0.000 0.479 334 V N 2.733 122.764 119.914 0.195 0.000 2.294 334 V HA 0.618 4.738 4.120 -0.001 0.000 0.272 334 V C 0.306 176.454 176.094 0.090 0.000 1.027 334 V CA -0.542 61.868 62.300 0.184 0.000 0.823 334 V CB 0.300 32.275 31.823 0.253 0.000 1.030 334 V HN 0.819 nan 8.190 nan 0.000 0.457 335 R N 3.242 123.750 120.500 0.014 0.000 2.561 335 R HA 0.398 4.737 4.340 -0.001 0.000 0.266 335 R C -2.074 174.193 176.300 -0.055 0.000 1.091 335 R CA -0.547 55.532 56.100 -0.034 0.000 0.927 335 R CB 2.554 32.871 30.300 0.029 0.000 1.240 335 R HN 0.687 nan 8.270 nan 0.000 0.449 336 D N 2.062 122.421 120.400 -0.068 0.000 2.185 336 D HA 0.476 5.116 4.640 -0.001 0.000 0.247 336 D C -1.399 174.893 176.300 -0.014 0.000 1.027 336 D CA -0.498 53.476 54.000 -0.043 0.000 0.861 336 D CB 2.054 42.835 40.800 -0.032 0.000 1.202 336 D HN 0.310 nan 8.370 nan 0.000 0.453 337 V N 2.945 122.855 119.914 -0.007 0.000 2.789 337 V HA 0.595 4.714 4.120 -0.001 0.000 0.311 337 V C -1.547 174.564 176.094 0.028 0.000 1.073 337 V CA -0.526 61.799 62.300 0.043 0.000 0.921 337 V CB 1.660 33.526 31.823 0.070 0.000 1.009 337 V HN 0.615 nan 8.190 nan 0.000 0.426 338 K N 4.285 124.718 120.400 0.054 0.000 2.426 338 K HA 0.881 5.201 4.320 -0.001 0.000 0.251 338 K C -1.141 175.432 176.600 -0.046 0.000 0.941 338 K CA -0.575 55.713 56.287 0.001 0.000 0.808 338 K CB 2.411 34.914 32.500 0.006 0.000 1.265 338 K HN 0.901 nan 8.250 nan 0.000 0.432 339 A N 1.674 124.388 122.820 -0.175 0.000 2.522 339 A HA 0.439 4.758 4.320 -0.001 0.000 0.285 339 A C -0.514 176.912 177.584 -0.263 0.000 1.198 339 A CA -0.605 51.184 52.037 -0.414 0.000 0.742 339 A CB 0.594 19.063 19.000 -0.886 0.000 1.176 339 A HN 0.674 nan 8.150 nan 0.000 0.444 340 T N -0.190 114.269 114.554 -0.158 0.000 2.942 340 T HA 0.756 5.106 4.350 -0.001 0.000 0.289 340 T C -0.273 174.394 174.700 -0.056 0.000 1.044 340 T CA -0.814 61.234 62.100 -0.086 0.000 1.023 340 T CB 0.994 69.841 68.868 -0.035 0.000 1.123 340 T HN 0.385 nan 8.240 nan 0.000 0.512 341 L N 3.186 124.391 121.223 -0.031 0.000 2.290 341 L HA 0.375 4.715 4.340 -0.001 0.000 0.284 341 L C 0.737 177.619 176.870 0.020 0.000 1.078 341 L CA -1.045 53.795 54.840 -0.000 0.000 0.815 341 L CB 0.452 42.511 42.059 -0.000 0.000 1.162 341 L HN 0.815 nan 8.230 nan 0.000 0.435 342 N N 0.859 119.586 118.700 0.045 0.000 2.294 342 N HA -0.018 4.721 4.740 -0.001 0.000 0.248 342 N C 0.962 176.493 175.510 0.035 0.000 1.300 342 N CA -0.033 53.043 53.050 0.045 0.000 0.925 342 N CB 0.268 38.793 38.487 0.062 0.000 1.188 342 N HN 0.552 nan 8.380 nan 0.000 0.512 343 S N -1.856 113.860 115.700 0.027 0.000 2.474 343 S HA -0.095 4.375 4.470 -0.001 0.000 0.235 343 S C 1.126 175.739 174.600 0.022 0.000 0.997 343 S CA 0.664 58.875 58.200 0.018 0.000 0.949 343 S CB -0.721 62.484 63.200 0.009 0.000 0.766 343 S HN 0.524 nan 8.310 nan 0.000 0.517 344 S N 0.662 116.383 115.700 0.035 0.000 2.593 344 S HA 0.436 4.906 4.470 -0.001 0.000 0.217 344 S C 1.500 176.139 174.600 0.066 0.000 0.966 344 S CA 0.341 58.568 58.200 0.044 0.000 0.914 344 S CB -0.130 63.105 63.200 0.057 0.000 0.776 344 S HN 1.060 nan 8.310 nan 0.000 0.523 345 G N 1.196 110.034 108.800 0.063 0.000 2.157 345 G HA2 -0.174 3.786 3.960 -0.001 0.000 0.248 345 G HA3 -0.174 3.786 3.960 -0.001 0.000 0.248 345 G C 0.250 175.208 174.900 0.098 0.000 0.979 345 G CA -0.287 44.855 45.100 0.070 0.000 0.650 345 G HN 0.812 nan 8.290 nan 0.000 0.529 346 G N -0.357 108.518 108.800 0.124 0.000 2.372 346 G HA2 0.571 4.531 3.960 -0.001 0.000 0.283 346 G HA3 0.571 4.531 3.960 -0.001 0.000 0.283 346 G C 0.123 175.109 174.900 0.143 0.000 1.177 346 G CA -0.308 44.893 45.100 0.169 0.000 0.842 346 G HN 0.514 nan 8.290 nan 0.000 0.503 347 R N 0.723 121.311 120.500 0.148 0.000 2.421 347 R HA 0.269 4.609 4.340 -0.001 0.000 0.305 347 R C -0.168 176.246 176.300 0.190 0.000 1.039 347 R CA -0.097 56.031 56.100 0.048 0.000 1.003 347 R CB 0.619 30.842 30.300 -0.130 0.000 0.959 347 R HN 0.492 nan 8.270 nan 0.000 0.427 348 Q N 4.327 124.176 119.800 0.082 0.000 2.339 348 Q HA 0.259 4.598 4.340 -0.001 0.000 0.268 348 Q C -1.691 174.384 176.000 0.125 0.000 1.027 348 Q CA -0.432 55.493 55.803 0.204 0.000 0.759 348 Q CB 0.666 29.508 28.738 0.173 0.000 1.244 348 Q HN 0.630 nan 8.270 nan 0.000 0.464 349 Y N 1.288 121.717 120.300 0.215 0.000 2.304 349 Y HA 0.562 5.111 4.550 -0.001 0.000 0.327 349 Y C 0.545 176.541 175.900 0.160 0.000 1.209 349 Y CA 0.176 58.376 58.100 0.166 0.000 1.299 349 Y CB 1.657 40.227 38.460 0.184 0.000 1.249 349 Y HN 0.702 nan 8.280 nan 0.000 0.519 350 S N 0.531 116.402 115.700 0.285 0.000 2.546 350 S HA 0.812 5.281 4.470 -0.001 0.000 0.274 350 S C -1.659 173.060 174.600 0.198 0.000 1.121 350 S CA -0.899 57.436 58.200 0.225 0.000 0.887 350 S CB 1.521 64.821 63.200 0.167 0.000 1.094 350 S HN 0.336 nan 8.310 nan 0.000 0.474 351 V N 2.329 122.357 119.914 0.189 0.000 2.531 351 V HA 0.495 4.615 4.120 -0.001 0.000 0.301 351 V C 0.020 176.157 176.094 0.071 0.000 1.034 351 V CA -0.869 61.515 62.300 0.140 0.000 0.865 351 V CB 0.809 32.750 31.823 0.197 0.000 0.995 351 V HN 1.144 nan 8.190 nan 0.000 0.424 352 N N 3.637 122.310 118.700 -0.046 0.000 2.716 352 N HA -0.235 4.504 4.740 -0.001 0.000 0.250 352 N C 1.097 176.641 175.510 0.057 0.000 1.033 352 N CA 0.633 53.607 53.050 -0.127 0.000 0.727 352 N CB -0.760 37.358 38.487 -0.615 0.000 0.950 352 N HN 1.467 nan 8.380 nan 0.000 0.541 353 G N -1.188 107.665 108.800 0.087 0.000 2.168 353 G HA2 -0.365 3.595 3.960 -0.001 0.000 0.263 353 G HA3 -0.365 3.595 3.960 -0.001 0.000 0.263 353 G C -0.142 174.853 174.900 0.159 0.000 0.977 353 G CA 0.557 45.727 45.100 0.117 0.000 0.659 353 G HN 0.312 nan 8.290 nan 0.000 0.533 354 K N 1.352 121.877 120.400 0.208 0.000 2.263 354 K HA 0.448 4.767 4.320 -0.001 0.000 0.272 354 K C -2.479 174.252 176.600 0.218 0.000 1.033 354 K CA -2.151 54.272 56.287 0.226 0.000 0.884 354 K CB 2.074 34.751 32.500 0.296 0.000 1.107 354 K HN 0.150 nan 8.250 nan 0.000 0.460 355 P HA 0.198 nan 4.420 nan 0.000 0.271 355 P C -0.610 176.865 177.300 0.291 0.000 1.218 355 P CA -0.574 62.681 63.100 0.258 0.000 0.780 355 P CB 0.603 32.457 31.700 0.257 0.000 0.901 356 L N 2.462 123.850 121.223 0.274 0.000 2.401 356 L HA 0.393 4.733 4.340 -0.001 0.000 0.266 356 L C -0.424 176.419 176.870 -0.045 0.000 0.991 356 L CA -0.962 53.950 54.840 0.120 0.000 0.818 356 L CB 1.500 43.626 42.059 0.112 0.000 1.321 356 L HN 0.246 nan 8.230 nan 0.000 0.413 357 L N 4.479 125.345 121.223 -0.596 0.000 2.361 357 L HA 0.333 4.673 4.340 -0.001 0.000 0.278 357 L C -0.225 176.487 176.870 -0.262 0.000 1.113 357 L CA 0.272 54.728 54.840 -0.641 0.000 0.849 357 L CB 0.070 41.505 42.059 -1.039 0.000 1.155 357 L HN 0.279 nan 8.230 nan 0.000 0.452 358 I N 6.269 126.749 120.570 -0.151 0.000 2.533 358 I HA 0.103 4.273 4.170 -0.001 0.000 0.284 358 I C 0.436 176.445 176.117 -0.180 0.000 1.109 358 I CA 0.468 61.690 61.300 -0.130 0.000 1.412 358 I CB -0.073 37.898 38.000 -0.048 0.000 1.396 358 I HN 0.644 nan 8.210 nan 0.000 0.543 359 R N 4.645 125.093 120.500 -0.086 0.000 2.412 359 R HA 0.627 4.966 4.340 -0.001 0.000 0.304 359 R C 0.108 176.446 176.300 0.063 0.000 1.066 359 R CA -0.397 55.711 56.100 0.013 0.000 0.923 359 R CB 1.901 32.204 30.300 0.004 0.000 1.156 359 R HN 0.878 nan 8.270 nan 0.000 0.513 360 G N 0.306 109.183 108.800 0.128 0.000 2.870 360 G HA2 0.741 4.701 3.960 -0.001 0.000 0.299 360 G HA3 0.741 4.701 3.960 -0.001 0.000 0.299 360 G C -1.189 173.824 174.900 0.188 0.000 1.324 360 G CA -0.755 44.415 45.100 0.116 0.000 0.808 360 G HN 0.529 nan 8.290 nan 0.000 0.535 361 G N -1.814 107.073 108.800 0.146 0.000 2.660 361 G HA2 0.635 4.595 3.960 -0.001 0.000 0.294 361 G HA3 0.635 4.595 3.960 -0.001 0.000 0.294 361 G C -0.349 174.594 174.900 0.071 0.000 1.369 361 G CA 0.114 45.297 45.100 0.139 0.000 0.912 361 G HN 1.149 nan 8.290 nan 0.000 0.479 362 G N -0.521 108.239 108.800 -0.066 0.000 2.349 362 G HA2 0.447 4.406 3.960 -0.001 0.000 0.281 362 G HA3 0.447 4.406 3.960 -0.001 0.000 0.281 362 G C -0.736 173.963 174.900 -0.335 0.000 1.182 362 G CA -0.149 44.810 45.100 -0.236 0.000 0.899 362 G HN 0.635 nan 8.290 nan 0.000 0.455 363 Y N 2.279 122.443 120.300 -0.227 0.000 2.310 363 Y HA 0.625 5.174 4.550 -0.001 0.000 0.326 363 Y C 0.354 176.123 175.900 -0.218 0.000 1.151 363 Y CA -0.432 57.571 58.100 -0.162 0.000 1.195 363 Y CB 2.135 40.607 38.460 0.020 0.000 1.210 363 Y HN 0.533 nan 8.280 nan 0.000 0.483 364 T N 8.106 122.052 114.554 -1.014 0.000 2.900 364 T HA 0.548 4.897 4.350 -0.001 0.000 0.295 364 T C -2.889 171.354 174.700 -0.761 0.000 1.044 364 T CA -2.223 59.511 62.100 -0.610 0.000 0.995 364 T CB 1.529 70.211 68.868 -0.309 0.000 1.072 364 T HN 0.552 nan 8.240 nan 0.000 0.473 365 P HA 0.282 nan 4.420 nan 0.000 0.302 365 P C -0.660 176.690 177.300 0.084 0.000 1.307 365 P CA -0.324 62.804 63.100 0.047 0.000 0.754 365 P CB 0.294 32.160 31.700 0.276 0.000 1.298 366 D N -1.012 119.458 120.400 0.118 0.000 2.472 366 D HA -0.067 4.572 4.640 -0.001 0.000 0.237 366 D C 1.264 177.477 176.300 -0.146 0.000 1.141 366 D CA -0.238 53.782 54.000 0.034 0.000 0.875 366 D CB 0.156 41.028 40.800 0.120 0.000 1.192 366 D HN 0.046 nan 8.370 nan 0.000 0.450 367 L N 3.708 124.570 121.223 -0.600 0.000 2.129 367 L HA -0.098 4.241 4.340 -0.001 0.000 0.212 367 L C 0.861 177.133 176.870 -0.996 0.000 1.087 367 L CA 1.744 55.796 54.840 -1.313 0.000 0.757 367 L CB -0.491 40.594 42.059 -1.623 0.000 0.896 367 L HN 0.544 nan 8.230 nan 0.000 0.434 368 F N -1.219 118.743 119.950 0.021 0.000 2.647 368 F HA 0.352 4.878 4.527 -0.001 0.000 0.300 368 F C 1.068 176.957 175.800 0.149 0.000 1.106 368 F CA -0.700 57.353 58.000 0.089 0.000 1.313 368 F CB -0.519 38.509 39.000 0.046 0.000 1.007 368 F HN -0.181 nan 8.300 nan 0.000 0.536 369 L N -0.166 121.213 121.223 0.258 0.000 3.839 369 L HA -0.315 4.025 4.340 -0.001 0.000 0.416 369 L C 0.340 177.383 176.870 0.289 0.000 1.195 369 L CA 0.324 55.339 54.840 0.292 0.000 0.946 369 L CB -1.677 40.546 42.059 0.274 0.000 1.891 369 L HN 0.254 nan 8.230 nan 0.000 0.963 370 R N 0.916 121.573 120.500 0.262 0.000 2.404 370 R HA 0.069 4.409 4.340 -0.001 0.000 0.315 370 R C 0.121 176.580 176.300 0.266 0.000 1.032 370 R CA 0.001 56.243 56.100 0.237 0.000 0.992 370 R CB 0.506 30.910 30.300 0.174 0.000 0.959 370 R HN 0.293 nan 8.270 nan 0.000 0.428 371 W N 5.501 126.880 121.300 0.130 0.000 2.433 371 W HA 0.285 4.944 4.660 -0.001 0.000 0.315 371 W C -1.151 175.441 176.519 0.121 0.000 1.087 371 W CA -0.573 56.853 57.345 0.135 0.000 1.205 371 W CB 1.275 30.816 29.460 0.136 0.000 1.288 371 W HN 0.483 nan 8.180 nan 0.000 0.504 372 N N 4.531 122.611 118.700 -1.033 0.000 2.519 372 N HA -0.017 4.722 4.740 -0.001 0.000 0.291 372 N C 0.339 175.174 175.510 -1.124 0.000 1.107 372 N CA -0.069 52.494 53.050 -0.813 0.000 0.904 372 N CB 1.807 40.094 38.487 -0.333 0.000 1.500 372 N HN 0.715 nan 8.380 nan 0.000 0.510 373 E N 1.756 121.505 120.200 -0.751 0.000 2.077 373 E HA -0.138 4.211 4.350 -0.001 0.000 0.193 373 E C 0.726 177.196 176.600 -0.215 0.000 0.989 373 E CA 1.784 57.991 56.400 -0.322 0.000 0.800 373 E CB 0.336 30.123 29.700 0.145 0.000 0.746 373 E HN 0.636 nan 8.360 nan 0.000 0.452 374 T N 0.570 115.022 114.554 -0.169 0.000 2.708 374 T HA -0.163 4.187 4.350 -0.001 0.000 0.266 374 T C 1.863 176.472 174.700 -0.151 0.000 1.037 374 T CA 1.327 63.355 62.100 -0.119 0.000 1.146 374 T CB -0.357 68.461 68.868 -0.083 0.000 0.865 374 T HN 0.342 nan 8.240 nan 0.000 0.435 375 A N 1.544 124.246 122.820 -0.197 0.000 1.908 375 A HA 0.070 4.389 4.320 -0.001 0.000 0.218 375 A C 2.661 180.166 177.584 -0.133 0.000 1.181 375 A CA 1.998 53.934 52.037 -0.168 0.000 0.627 375 A CB -1.182 17.726 19.000 -0.155 0.000 0.818 375 A HN 0.520 nan 8.150 nan 0.000 0.445 376 A N -0.127 122.578 122.820 -0.191 0.000 1.883 376 A HA 0.110 4.430 4.320 -0.001 0.000 0.217 376 A C 2.543 180.116 177.584 -0.019 0.000 1.186 376 A CA 2.334 54.375 52.037 0.007 0.000 0.624 376 A CB -1.138 17.888 19.000 0.043 0.000 0.822 376 A HN 1.140 nan 8.150 nan 0.000 0.444 377 A N 0.045 122.819 122.820 -0.077 0.000 1.883 377 A HA -0.227 4.092 4.320 -0.001 0.000 0.217 377 A C 1.790 179.308 177.584 -0.110 0.000 1.186 377 A CA 2.030 54.014 52.037 -0.088 0.000 0.624 377 A CB -0.683 18.278 19.000 -0.065 0.000 0.822 377 A HN 0.482 nan 8.150 nan 0.000 0.444 378 D N -0.281 120.028 120.400 -0.151 0.000 2.117 378 D HA -0.120 4.519 4.640 -0.001 0.000 0.197 378 D C 1.967 178.034 176.300 -0.390 0.000 0.987 378 D CA 1.431 55.272 54.000 -0.265 0.000 0.829 378 D CB -0.275 40.334 40.800 -0.318 0.000 0.961 378 D HN 0.514 nan 8.370 nan 0.000 0.460 379 K N 0.188 120.435 120.400 -0.255 0.000 2.026 379 K HA -0.044 4.275 4.320 -0.001 0.000 0.208 379 K C 2.350 178.981 176.600 0.051 0.000 1.048 379 K CA 0.617 56.829 56.287 -0.124 0.000 0.929 379 K CB -0.196 32.497 32.500 0.322 0.000 0.713 379 K HN 0.126 nan 8.250 nan 0.000 0.439 380 L N 1.102 122.331 121.223 0.009 0.000 2.141 380 L HA -0.176 4.164 4.340 -0.001 0.000 0.209 380 L C 2.273 179.144 176.870 0.002 0.000 1.094 380 L CA 1.234 56.051 54.840 -0.039 0.000 0.763 380 L CB -0.241 41.681 42.059 -0.227 0.000 0.908 380 L HN 0.130 nan 8.230 nan 0.000 0.437 381 K N -1.020 119.374 120.400 -0.011 0.000 2.097 381 K HA -0.191 4.129 4.320 -0.001 0.000 0.206 381 K C 2.125 178.827 176.600 0.169 0.000 1.049 381 K CA 1.268 57.582 56.287 0.045 0.000 0.933 381 K CB -0.160 32.353 32.500 0.023 0.000 0.717 381 K HN 0.128 nan 8.250 nan 0.000 0.442 382 Y N 0.908 121.169 120.300 -0.065 0.000 2.224 382 Y HA -0.207 4.342 4.550 -0.001 0.000 0.289 382 Y C 2.260 178.194 175.900 0.057 0.000 1.146 382 Y CA 0.227 58.318 58.100 -0.015 0.000 1.182 382 Y CB -0.802 37.492 38.460 -0.277 0.000 0.983 382 Y HN -0.204 nan 8.280 nan 0.000 0.524 383 V N 0.217 120.270 119.914 0.231 0.000 2.250 383 V HA -0.355 3.764 4.120 -0.001 0.000 0.250 383 V C 2.445 178.548 176.094 0.016 0.000 1.060 383 V CA 2.090 64.463 62.300 0.121 0.000 1.030 383 V CB -0.989 30.899 31.823 0.107 0.000 0.643 383 V HN 0.343 nan 8.190 nan 0.000 0.445 384 L N 0.164 121.398 121.223 0.020 0.000 2.141 384 L HA -0.145 4.194 4.340 -0.001 0.000 0.209 384 L C 2.479 179.333 176.870 -0.026 0.000 1.094 384 L CA 1.695 56.525 54.840 -0.017 0.000 0.763 384 L CB -0.821 41.232 42.059 -0.010 0.000 0.908 384 L HN 0.499 nan 8.230 nan 0.000 0.437 385 N N 1.000 119.707 118.700 0.011 0.000 2.244 385 N HA -0.152 4.587 4.740 -0.001 0.000 0.183 385 N C 1.878 177.337 175.510 -0.086 0.000 1.016 385 N CA 0.921 53.974 53.050 0.004 0.000 0.866 385 N CB 0.119 38.642 38.487 0.059 0.000 0.980 385 N HN 0.347 nan 8.380 nan 0.000 0.430 386 L N -0.035 121.071 121.223 -0.194 0.000 2.376 386 L HA 0.028 4.367 4.340 -0.001 0.000 0.219 386 L C 1.549 178.225 176.870 -0.325 0.000 1.133 386 L CA 0.806 55.415 54.840 -0.384 0.000 0.816 386 L CB -0.327 41.441 42.059 -0.484 0.000 0.933 386 L HN 0.350 nan 8.230 nan 0.000 0.449 387 G N -0.051 108.622 108.800 -0.213 0.000 2.159 387 G HA2 -0.274 3.686 3.960 -0.001 0.000 0.256 387 G HA3 -0.274 3.686 3.960 -0.001 0.000 0.256 387 G C 0.318 175.091 174.900 -0.210 0.000 0.977 387 G CA -0.050 44.933 45.100 -0.196 0.000 0.652 387 G HN 0.217 nan 8.290 nan 0.000 0.531 388 L N 0.107 121.200 121.223 -0.217 0.000 2.472 388 L HA 0.356 4.695 4.340 -0.001 0.000 0.260 388 L C 1.562 178.381 176.870 -0.085 0.000 1.209 388 L CA 0.234 54.971 54.840 -0.171 0.000 0.817 388 L CB 0.441 42.414 42.059 -0.143 0.000 1.106 388 L HN 0.368 nan 8.230 nan 0.000 0.479 389 N N -2.128 116.541 118.700 -0.052 0.000 2.181 389 N HA 0.065 4.804 4.740 -0.001 0.000 0.207 389 N C -0.314 175.205 175.510 0.015 0.000 1.182 389 N CA -0.164 52.875 53.050 -0.018 0.000 0.893 389 N CB 0.868 39.343 38.487 -0.020 0.000 1.032 389 N HN 0.487 nan 8.380 nan 0.000 0.513 390 T N 0.266 114.832 114.554 0.021 0.000 2.923 390 T HA 0.581 4.930 4.350 -0.001 0.000 0.311 390 T C -1.126 173.617 174.700 0.073 0.000 1.183 390 T CA -0.752 61.374 62.100 0.043 0.000 1.020 390 T CB 2.360 71.241 68.868 0.021 0.000 1.165 390 T HN 0.113 nan 8.240 nan 0.000 0.482 391 V N 0.501 120.470 119.914 0.092 0.000 2.680 391 V HA 0.791 4.911 4.120 -0.001 0.000 0.309 391 V C -0.351 175.827 176.094 0.140 0.000 1.052 391 V CA -1.245 61.135 62.300 0.135 0.000 0.908 391 V CB 1.819 33.749 31.823 0.178 0.000 1.001 391 V HN 0.882 nan 8.190 nan 0.000 0.431 392 R N 2.942 123.532 120.500 0.149 0.000 2.368 392 R HA 0.732 5.072 4.340 -0.001 0.000 0.302 392 R C -1.561 174.833 176.300 0.156 0.000 1.002 392 R CA -0.748 55.435 56.100 0.138 0.000 0.929 392 R CB 1.414 31.806 30.300 0.152 0.000 1.073 392 R HN 0.805 nan 8.270 nan 0.000 0.464 393 L N 3.871 125.171 121.223 0.129 0.000 2.301 393 L HA 0.284 4.624 4.340 -0.001 0.000 0.278 393 L C -0.133 176.809 176.870 0.121 0.000 1.022 393 L CA 0.027 54.961 54.840 0.158 0.000 0.854 393 L CB 1.534 43.679 42.059 0.143 0.000 1.226 393 L HN 0.624 nan 8.230 nan 0.000 0.429 394 E N 3.595 123.956 120.200 0.270 0.000 1.932 394 E HA 0.425 4.775 4.350 -0.001 0.000 0.275 394 E C 0.912 177.737 176.600 0.375 0.000 1.159 394 E CA 0.388 56.976 56.400 0.313 0.000 0.905 394 E CB 0.238 30.289 29.700 0.585 0.000 1.059 394 E HN 0.742 nan 8.360 nan 0.000 0.400 395 G N 4.329 113.183 108.800 0.090 0.000 2.578 395 G HA2 -0.375 3.584 3.960 -0.001 0.000 0.275 395 G HA3 -0.375 3.584 3.960 -0.001 0.000 0.275 395 G C -0.080 174.925 174.900 0.175 0.000 1.271 395 G CA 0.263 45.354 45.100 -0.014 0.000 0.941 395 G HN 1.015 nan 8.290 nan 0.000 0.564 396 H N -1.944 117.170 119.070 0.073 0.000 2.655 396 H HA -0.151 4.405 4.556 -0.001 0.000 0.313 396 H C 0.989 176.414 175.328 0.161 0.000 1.141 396 H CA 0.806 56.889 56.048 0.058 0.000 1.138 396 H CB -2.009 27.725 29.762 -0.047 0.000 1.446 396 H HN 0.719 nan 8.280 nan 0.000 0.415 397 I N 1.064 121.842 120.570 0.347 0.000 2.517 397 I HA -0.003 4.167 4.170 -0.001 0.000 0.285 397 I C 1.143 177.441 176.117 0.301 0.000 1.106 397 I CA 0.145 61.619 61.300 0.289 0.000 1.402 397 I CB 0.401 38.502 38.000 0.170 0.000 1.399 397 I HN 0.234 nan 8.210 nan 0.000 0.535 398 E N 7.630 127.939 120.200 0.183 0.000 2.408 398 E HA 0.197 4.547 4.350 -0.001 0.000 0.259 398 E C -2.098 174.602 176.600 0.167 0.000 1.110 398 E CA -1.411 55.023 56.400 0.057 0.000 0.929 398 E CB 0.228 29.671 29.700 -0.428 0.000 0.971 398 E HN 0.314 nan 8.360 nan 0.000 0.438 399 P HA -0.040 nan 4.420 nan 0.000 0.270 399 P C 0.210 177.533 177.300 0.039 0.000 1.227 399 P CA -0.039 62.971 63.100 -0.149 0.000 0.788 399 P CB 0.453 31.763 31.700 -0.649 0.000 0.926 400 D N 0.697 121.137 120.400 0.066 0.000 2.149 400 D HA -0.198 4.441 4.640 -0.001 0.000 0.194 400 D C 1.517 177.924 176.300 0.179 0.000 1.001 400 D CA 1.669 55.770 54.000 0.169 0.000 0.849 400 D CB -0.366 40.523 40.800 0.150 0.000 0.939 400 D HN 0.503 nan 8.370 nan 0.000 0.449 401 E N -0.294 119.978 120.200 0.119 0.000 2.160 401 E HA -0.143 4.206 4.350 -0.001 0.000 0.195 401 E C 1.779 178.533 176.600 0.258 0.000 0.991 401 E CA 0.357 56.889 56.400 0.221 0.000 0.810 401 E CB -0.418 29.496 29.700 0.357 0.000 0.742 401 E HN 0.340 nan 8.360 nan 0.000 0.466 402 F N -0.001 120.024 119.950 0.125 0.000 2.126 402 F HA -0.224 4.303 4.527 -0.001 0.000 0.299 402 F C 1.542 177.152 175.800 -0.316 0.000 1.096 402 F CA 1.444 59.419 58.000 -0.043 0.000 1.255 402 F CB -0.124 38.755 39.000 -0.200 0.000 0.997 402 F HN -0.027 nan 8.300 nan 0.000 0.479 403 F N 0.385 120.296 119.950 -0.064 0.000 2.293 403 F HA -0.104 4.422 4.527 -0.001 0.000 0.297 403 F C 2.308 177.956 175.800 -0.254 0.000 1.089 403 F CA 1.119 58.919 58.000 -0.333 0.000 1.377 403 F CB -0.849 37.717 39.000 -0.724 0.000 1.051 403 F HN -0.090 nan 8.300 nan 0.000 0.511 404 D N 0.698 121.131 120.400 0.055 0.000 2.104 404 D HA -0.186 4.454 4.640 -0.001 0.000 0.194 404 D C 2.376 178.717 176.300 0.069 0.000 0.994 404 D CA 1.536 55.639 54.000 0.171 0.000 0.830 404 D CB -0.430 40.480 40.800 0.184 0.000 0.959 404 D HN 0.251 nan 8.370 nan 0.000 0.452 405 I N 1.145 121.699 120.570 -0.027 0.000 2.252 405 I HA -0.226 3.943 4.170 -0.001 0.000 0.245 405 I C 2.554 178.594 176.117 -0.128 0.000 1.102 405 I CA 0.992 62.243 61.300 -0.082 0.000 1.385 405 I CB -0.237 37.685 38.000 -0.130 0.000 1.064 405 I HN -0.091 nan 8.210 nan 0.000 0.414 406 A N 0.734 123.395 122.820 -0.266 0.000 1.883 406 A HA -0.250 4.069 4.320 -0.001 0.000 0.217 406 A C 1.956 179.597 177.584 0.096 0.000 1.186 406 A CA 2.168 54.088 52.037 -0.196 0.000 0.624 406 A CB -0.670 18.130 19.000 -0.333 0.000 0.822 406 A HN 0.350 nan 8.150 nan 0.000 0.444 407 D N 0.388 120.881 120.400 0.155 0.000 2.106 407 D HA -0.151 4.488 4.640 -0.001 0.000 0.191 407 D C 1.394 177.957 176.300 0.438 0.000 0.997 407 D CA 1.660 55.858 54.000 0.330 0.000 0.834 407 D CB -0.521 40.394 40.800 0.193 0.000 0.956 407 D HN 0.395 nan 8.370 nan 0.000 0.448 408 D N -0.126 120.398 120.400 0.208 0.000 2.144 408 D HA -0.059 4.581 4.640 -0.001 0.000 0.199 408 D C 2.167 178.517 176.300 0.083 0.000 0.984 408 D CA 0.408 54.488 54.000 0.134 0.000 0.834 408 D CB -0.163 40.675 40.800 0.064 0.000 0.955 408 D HN 0.245 nan 8.370 nan 0.000 0.465 409 L N -0.808 120.451 121.223 0.061 0.000 2.446 409 L HA 0.169 4.508 4.340 -0.001 0.000 0.219 409 L C 1.316 178.185 176.870 -0.001 0.000 1.116 409 L CA 0.448 55.294 54.840 0.010 0.000 0.844 409 L CB -0.065 41.981 42.059 -0.021 0.000 0.970 409 L HN 0.109 nan 8.230 nan 0.000 0.457 410 G N 0.825 109.671 108.800 0.077 0.000 2.182 410 G HA2 -0.223 3.737 3.960 -0.001 0.000 0.248 410 G HA3 -0.223 3.737 3.960 -0.001 0.000 0.248 410 G C -0.053 174.898 174.900 0.085 0.000 1.042 410 G CA -0.037 45.050 45.100 -0.021 0.000 0.775 410 G HN 0.092 nan 8.290 nan 0.000 0.501 411 V N 1.477 121.474 119.914 0.140 0.000 2.407 411 V HA 0.501 4.620 4.120 -0.001 0.000 0.278 411 V C 1.141 177.333 176.094 0.163 0.000 1.037 411 V CA -0.664 61.688 62.300 0.087 0.000 0.900 411 V CB 1.453 33.270 31.823 -0.011 0.000 0.983 411 V HN 0.366 nan 8.190 nan 0.000 0.459 412 L N 4.980 126.299 121.223 0.159 0.000 2.417 412 L HA 0.494 4.834 4.340 -0.001 0.000 0.268 412 L C 0.640 177.578 176.870 0.113 0.000 1.158 412 L CA 0.019 54.960 54.840 0.168 0.000 0.819 412 L CB 1.095 43.228 42.059 0.123 0.000 1.112 412 L HN 0.800 nan 8.230 nan 0.000 0.458 413 T N 0.231 114.869 114.554 0.140 0.000 2.863 413 T HA 0.659 5.009 4.350 -0.001 0.000 0.285 413 T C -0.363 174.434 174.700 0.162 0.000 1.009 413 T CA -0.825 61.383 62.100 0.180 0.000 0.989 413 T CB 1.698 70.757 68.868 0.319 0.000 1.004 413 T HN 0.502 nan 8.240 nan 0.000 0.455 414 M N 3.764 123.448 119.600 0.141 0.000 2.488 414 M HA 0.306 4.786 4.480 -0.001 0.000 0.204 414 M C -2.573 173.751 176.300 0.040 0.000 0.969 414 M CA -1.874 53.487 55.300 0.101 0.000 0.720 414 M CB 1.544 34.200 32.600 0.092 0.000 1.427 414 M HN 0.479 nan 8.290 nan 0.000 0.427 415 P HA 0.623 nan 4.420 nan 0.000 0.276 415 P C -0.077 176.736 177.300 -0.812 0.000 1.252 415 P CA 0.141 63.097 63.100 -0.240 0.000 0.802 415 P CB 1.688 33.310 31.700 -0.130 0.000 1.035 416 G N -0.573 107.554 108.800 -1.121 0.000 2.328 416 G HA2 0.291 4.250 3.960 -0.001 0.000 0.295 416 G HA3 0.291 4.250 3.960 -0.001 0.000 0.295 416 G C -1.921 172.406 174.900 -0.955 0.000 1.413 416 G CA -1.003 43.126 45.100 -1.617 0.000 0.817 416 G HN 0.384 nan 8.290 nan 0.000 0.546 417 W N 0.922 121.851 121.300 -0.619 0.000 2.126 417 W HA 0.476 5.135 4.660 -0.001 0.000 0.346 417 W C 1.150 177.474 176.519 -0.324 0.000 1.279 417 W CA -0.494 56.504 57.345 -0.578 0.000 1.259 417 W CB 0.737 29.921 29.460 -0.461 0.000 1.133 417 W HN 0.679 nan 8.180 nan 0.000 0.592 418 E N 1.077 121.253 120.200 -0.040 0.000 2.250 418 E HA 0.431 4.781 4.350 -0.001 0.000 0.265 418 E C 0.056 176.745 176.600 0.148 0.000 1.033 418 E CA -0.930 55.502 56.400 0.053 0.000 0.888 418 E CB 1.174 30.862 29.700 -0.020 0.000 1.151 418 E HN 0.562 nan 8.360 nan 0.000 0.412 419 C N -0.350 119.041 119.300 0.152 0.000 2.480 419 C HA 0.431 4.890 4.460 -0.001 0.000 0.344 419 C C 1.077 176.154 174.990 0.146 0.000 1.380 419 C CA 0.035 59.158 59.018 0.175 0.000 2.386 419 C CB -0.486 27.345 27.740 0.152 0.000 2.210 419 C HN 1.048 nan 8.230 nan 0.000 0.640 420 C N 1.242 120.628 119.300 0.144 0.000 4.417 420 C HA -0.040 4.420 4.460 -0.001 0.000 0.284 420 C C -0.016 175.013 174.990 0.064 0.000 1.379 420 C CA 1.349 60.422 59.018 0.091 0.000 1.918 420 C CB -3.632 24.152 27.740 0.073 0.000 1.280 420 C HN 1.226 nan 8.230 nan 0.000 0.783 421 D N -1.937 118.520 120.400 0.095 0.000 3.309 421 D HA 0.396 5.036 4.640 -0.001 0.000 0.335 421 D C 0.564 176.915 176.300 0.085 0.000 1.393 421 D CA -0.098 53.943 54.000 0.068 0.000 0.963 421 D CB -0.061 40.767 40.800 0.046 0.000 1.431 421 D HN -0.172 nan 8.370 nan 0.000 0.583 422 K N -0.379 120.021 120.400 0.001 0.000 2.074 422 K HA -0.062 4.257 4.320 -0.001 0.000 0.209 422 K C 1.752 178.366 176.600 0.023 0.000 1.048 422 K CA 1.829 58.056 56.287 -0.100 0.000 0.926 422 K CB -0.748 31.540 32.500 -0.354 0.000 0.713 422 K HN 0.543 nan 8.250 nan 0.000 0.444 423 W N 1.172 122.530 121.300 0.098 0.000 2.305 423 W HA -0.166 4.493 4.660 -0.001 0.000 0.308 423 W C 1.512 178.198 176.519 0.279 0.000 1.226 423 W CA 1.686 59.145 57.345 0.190 0.000 1.253 423 W CB -0.146 29.353 29.460 0.065 0.000 1.146 423 W HN 0.221 nan 8.180 nan 0.000 0.507 424 E N -0.738 119.669 120.200 0.345 0.000 2.465 424 E HA 0.103 4.453 4.350 -0.001 0.000 0.195 424 E C 2.141 178.743 176.600 0.004 0.000 1.028 424 E CA 0.169 56.670 56.400 0.169 0.000 0.899 424 E CB 0.068 29.889 29.700 0.202 0.000 1.032 424 E HN 0.292 nan 8.360 nan 0.000 0.468 425 G N 1.382 110.243 108.800 0.102 0.000 2.470 425 G HA2 -0.296 3.664 3.960 -0.001 0.000 0.220 425 G HA3 -0.296 3.664 3.960 -0.001 0.000 0.220 425 G C 1.596 176.436 174.900 -0.100 0.000 1.121 425 G CA 0.492 45.619 45.100 0.046 0.000 0.766 425 G HN 0.128 nan 8.290 nan 0.000 0.553 426 Q N 0.250 119.834 119.800 -0.359 0.000 2.398 426 Q HA 0.082 4.421 4.340 -0.001 0.000 0.204 426 Q C 2.083 177.889 176.000 -0.324 0.000 0.932 426 Q CA 1.222 56.758 55.803 -0.446 0.000 0.916 426 Q CB 0.185 28.343 28.738 -0.967 0.000 1.024 426 Q HN 0.457 nan 8.270 nan 0.000 0.504 427 V N -2.745 116.979 119.914 -0.318 0.000 3.502 427 V HA 0.254 4.374 4.120 -0.001 0.000 0.288 427 V C 0.769 176.516 176.094 -0.579 0.000 1.461 427 V CA 0.513 62.633 62.300 -0.300 0.000 1.029 427 V CB -0.663 31.064 31.823 -0.159 0.000 0.843 427 V HN 0.478 nan 8.190 nan 0.000 0.438 428 N N 0.719 119.037 118.700 -0.636 0.000 2.251 428 N HA 0.399 5.138 4.740 -0.001 0.000 0.217 428 N C 1.202 176.336 175.510 -0.627 0.000 1.124 428 N CA 0.457 52.863 53.050 -1.073 0.000 0.843 428 N CB 0.834 38.942 38.487 -0.632 0.000 1.024 428 N HN 0.607 nan 8.380 nan 0.000 0.501 429 G N 2.879 111.443 108.800 -0.393 0.000 2.622 429 G HA2 -0.437 3.522 3.960 -0.001 0.000 0.307 429 G HA3 -0.437 3.522 3.960 -0.001 0.000 0.307 429 G C 0.524 175.340 174.900 -0.140 0.000 1.226 429 G CA 0.953 45.925 45.100 -0.213 0.000 0.997 429 G HN 0.489 nan 8.290 nan 0.000 0.551 430 E N 1.735 121.880 120.200 -0.091 0.000 2.511 430 E HA 0.312 4.662 4.350 -0.001 0.000 0.196 430 E C 1.077 177.648 176.600 -0.049 0.000 1.066 430 E CA 0.970 57.337 56.400 -0.054 0.000 0.871 430 E CB -0.135 29.548 29.700 -0.029 0.000 0.863 430 E HN 0.747 nan 8.360 nan 0.000 0.520 431 E N 1.969 122.129 120.200 -0.066 0.000 2.408 431 E HA 0.002 4.352 4.350 -0.001 0.000 0.259 431 E C -0.157 176.423 176.600 -0.033 0.000 1.110 431 E CA -0.474 55.903 56.400 -0.038 0.000 0.929 431 E CB 0.554 30.244 29.700 -0.017 0.000 0.971 431 E HN -0.293 nan 8.360 nan 0.000 0.438 432 K N 1.766 122.160 120.400 -0.010 0.000 2.527 432 K HA 0.341 4.660 4.320 -0.001 0.000 0.278 432 K C 0.160 176.760 176.600 -0.001 0.000 0.981 432 K CA 1.105 57.390 56.287 -0.004 0.000 1.009 432 K CB -0.240 32.265 32.500 0.008 0.000 0.895 432 K HN 0.805 nan 8.250 nan 0.000 0.493 433 G N 2.186 110.982 108.800 -0.006 0.000 3.187 433 G HA2 -0.094 3.865 3.960 -0.001 0.000 0.682 433 G HA3 -0.094 3.865 3.960 -0.001 0.000 0.682 433 G C -1.098 173.803 174.900 0.001 0.000 1.266 433 G CA -0.941 44.160 45.100 0.001 0.000 0.902 433 G HN 0.450 nan 8.290 nan 0.000 0.589 434 E N 3.174 123.372 120.200 -0.003 0.000 2.331 434 E HA 0.405 4.754 4.350 -0.001 0.000 0.272 434 E C -2.011 174.639 176.600 0.083 0.000 1.036 434 E CA -1.551 54.853 56.400 0.007 0.000 0.864 434 E CB 1.148 30.831 29.700 -0.030 0.000 1.035 434 E HN 0.317 nan 8.360 nan 0.000 0.408 435 P HA -0.112 nan 4.420 nan 0.000 0.267 435 P C -0.987 176.443 177.300 0.215 0.000 1.201 435 P CA 0.227 63.387 63.100 0.100 0.000 0.775 435 P CB 0.357 32.080 31.700 0.038 0.000 0.854 436 W N 1.739 122.957 121.300 -0.136 0.000 2.316 436 W HA 0.378 5.038 4.660 -0.001 0.000 0.321 436 W C 0.031 176.518 176.519 -0.052 0.000 1.203 436 W CA -0.364 56.862 57.345 -0.199 0.000 1.214 436 W CB 0.138 29.325 29.460 -0.455 0.000 1.169 436 W HN 0.127 nan 8.180 nan 0.000 0.561 437 V N 0.037 120.029 119.914 0.131 0.000 3.193 437 V HA 0.457 4.576 4.120 -0.001 0.000 0.320 437 V C 1.016 177.248 176.094 0.230 0.000 1.112 437 V CA -0.732 61.651 62.300 0.140 0.000 1.026 437 V CB 1.595 33.436 31.823 0.029 0.000 1.128 437 V HN 0.564 nan 8.190 nan 0.000 0.452 438 E N 1.470 121.788 120.200 0.196 0.000 2.097 438 E HA -0.186 4.164 4.350 -0.001 0.000 0.196 438 E C 2.289 178.998 176.600 0.182 0.000 1.000 438 E CA 2.069 58.600 56.400 0.218 0.000 0.804 438 E CB -0.449 29.292 29.700 0.068 0.000 0.740 438 E HN 1.017 nan 8.360 nan 0.000 0.454 439 S N 0.856 116.580 115.700 0.039 0.000 2.474 439 S HA -0.116 4.354 4.470 -0.001 0.000 0.235 439 S C 1.379 175.900 174.600 -0.132 0.000 0.997 439 S CA 0.904 59.080 58.200 -0.040 0.000 0.949 439 S CB -0.016 63.136 63.200 -0.080 0.000 0.766 439 S HN 0.047 nan 8.310 nan 0.000 0.517 440 D N 0.928 121.194 120.400 -0.224 0.000 2.178 440 D HA -0.035 4.604 4.640 -0.001 0.000 0.202 440 D C 1.477 177.435 176.300 -0.571 0.000 0.974 440 D CA 1.081 54.721 54.000 -0.600 0.000 0.841 440 D CB -0.401 39.786 40.800 -1.021 0.000 0.953 440 D HN 0.524 nan 8.370 nan 0.000 0.478 441 Y N 0.719 120.929 120.300 -0.150 0.000 2.145 441 Y HA -0.102 4.448 4.550 -0.001 0.000 0.286 441 Y C -0.372 175.500 175.900 -0.046 0.000 1.145 441 Y CA 1.173 59.282 58.100 0.015 0.000 1.148 441 Y CB -1.599 36.915 38.460 0.090 0.000 0.981 441 Y HN 0.164 nan 8.280 nan 0.000 0.507 442 P HA -0.096 nan 4.420 nan 0.000 0.221 442 P C 1.352 178.637 177.300 -0.026 0.000 1.150 442 P CA 1.484 64.599 63.100 0.026 0.000 0.800 442 P CB -0.087 31.618 31.700 0.009 0.000 0.787 443 I N 0.090 120.590 120.570 -0.115 0.000 2.142 443 I HA -0.246 3.923 4.170 -0.001 0.000 0.240 443 I C 2.494 178.527 176.117 -0.141 0.000 1.078 443 I CA 1.590 62.797 61.300 -0.155 0.000 1.343 443 I CB -1.000 36.837 38.000 -0.271 0.000 1.046 443 I HN -0.089 nan 8.210 nan 0.000 0.405 444 A N 0.777 123.446 122.820 -0.253 0.000 1.883 444 A HA -0.293 4.026 4.320 -0.001 0.000 0.217 444 A C 2.400 180.154 177.584 0.284 0.000 1.186 444 A CA 2.218 54.233 52.037 -0.036 0.000 0.624 444 A CB -0.615 18.383 19.000 -0.003 0.000 0.822 444 A HN 0.393 nan 8.150 nan 0.000 0.444 445 K N -0.440 120.078 120.400 0.196 0.000 2.026 445 K HA -0.058 4.261 4.320 -0.001 0.000 0.208 445 K C 2.157 178.901 176.600 0.239 0.000 1.048 445 K CA 1.243 57.679 56.287 0.248 0.000 0.929 445 K CB -0.358 32.232 32.500 0.151 0.000 0.713 445 K HN 0.347 nan 8.250 nan 0.000 0.439 446 A N 0.622 123.532 122.820 0.150 0.000 1.933 446 A HA -0.140 4.179 4.320 -0.001 0.000 0.218 446 A C 2.156 179.862 177.584 0.203 0.000 1.175 446 A CA 2.063 54.184 52.037 0.139 0.000 0.628 446 A CB -0.632 18.396 19.000 0.047 0.000 0.814 446 A HN 0.385 nan 8.150 nan 0.000 0.444 447 S N -0.919 114.915 115.700 0.223 0.000 2.356 447 S HA -0.205 4.265 4.470 -0.001 0.000 0.223 447 S C 2.001 176.813 174.600 0.353 0.000 1.032 447 S CA 1.906 60.294 58.200 0.314 0.000 1.005 447 S CB -0.359 63.061 63.200 0.367 0.000 0.867 447 S HN 0.599 nan 8.310 nan 0.000 0.449 448 M N 0.926 120.766 119.600 0.401 0.000 2.117 448 M HA -0.032 4.447 4.480 -0.001 0.000 0.262 448 M C 1.725 178.002 176.300 -0.039 0.000 1.065 448 M CA 1.451 56.879 55.300 0.213 0.000 1.114 448 M CB -0.599 32.197 32.600 0.327 0.000 1.361 448 M HN 0.314 nan 8.290 nan 0.000 0.408 449 F N -0.130 119.813 119.950 -0.013 0.000 2.102 449 F HA -0.193 4.333 4.527 -0.001 0.000 0.298 449 F C 2.169 177.903 175.800 -0.109 0.000 1.105 449 F CA 2.124 60.079 58.000 -0.075 0.000 1.239 449 F CB -0.674 38.303 39.000 -0.038 0.000 0.991 449 F HN 0.154 nan 8.300 nan 0.000 0.474 450 S N 0.090 115.789 115.700 -0.002 0.000 2.368 450 S HA -0.160 4.310 4.470 -0.001 0.000 0.224 450 S C 1.843 176.330 174.600 -0.188 0.000 1.029 450 S CA 1.262 59.417 58.200 -0.074 0.000 0.988 450 S CB -0.329 62.908 63.200 0.061 0.000 0.838 450 S HN 0.419 nan 8.310 nan 0.000 0.462 451 E N 1.493 121.581 120.200 -0.187 0.000 2.106 451 E HA 0.010 4.359 4.350 -0.001 0.000 0.192 451 E C 2.349 178.642 176.600 -0.513 0.000 0.984 451 E CA 0.976 57.188 56.400 -0.315 0.000 0.806 451 E CB -0.469 28.987 29.700 -0.407 0.000 0.750 451 E HN 0.471 nan 8.360 nan 0.000 0.458 452 A N 1.484 123.890 122.820 -0.690 0.000 1.902 452 A HA -0.232 4.087 4.320 -0.001 0.000 0.217 452 A C 2.144 179.471 177.584 -0.428 0.000 1.181 452 A CA 1.804 53.392 52.037 -0.748 0.000 0.623 452 A CB -0.499 18.037 19.000 -0.773 0.000 0.818 452 A HN 0.315 nan 8.150 nan 0.000 0.443 453 E N -0.439 119.408 120.200 -0.588 0.000 2.077 453 E HA -0.209 4.140 4.350 -0.001 0.000 0.193 453 E C 2.283 178.715 176.600 -0.279 0.000 0.989 453 E CA 0.952 57.037 56.400 -0.525 0.000 0.800 453 E CB -0.147 29.145 29.700 -0.679 0.000 0.746 453 E HN 0.532 nan 8.360 nan 0.000 0.452 454 R N -0.106 120.260 120.500 -0.225 0.000 2.075 454 R HA -0.050 4.289 4.340 -0.001 0.000 0.232 454 R C 2.412 178.680 176.300 -0.053 0.000 1.126 454 R CA 1.114 57.148 56.100 -0.109 0.000 0.963 454 R CB -0.067 30.169 30.300 -0.107 0.000 0.858 454 R HN 0.314 nan 8.270 nan 0.000 0.435 455 L N 0.394 121.551 121.223 -0.111 0.000 2.477 455 L HA 0.045 4.384 4.340 -0.001 0.000 0.220 455 L C 2.408 179.325 176.870 0.079 0.000 1.106 455 L CA 0.188 55.003 54.840 -0.042 0.000 0.851 455 L CB -0.231 41.736 42.059 -0.153 0.000 0.994 455 L HN 0.163 nan 8.230 nan 0.000 0.462 456 R N -0.240 120.299 120.500 0.065 0.000 2.127 456 R HA -0.152 4.187 4.340 -0.001 0.000 0.238 456 R C 0.361 176.595 176.300 -0.109 0.000 1.134 456 R CA 1.628 57.726 56.100 -0.004 0.000 0.975 456 R CB -0.415 29.864 30.300 -0.036 0.000 0.865 456 R HN 0.207 nan 8.270 nan 0.000 0.447 457 D N 0.126 120.452 120.400 -0.124 0.000 2.368 457 D HA 0.094 4.734 4.640 -0.001 0.000 0.218 457 D C -0.470 175.667 176.300 -0.272 0.000 1.112 457 D CA 0.077 53.990 54.000 -0.146 0.000 0.834 457 D CB 0.113 40.858 40.800 -0.092 0.000 0.953 457 D HN 0.274 nan 8.370 nan 0.000 0.505 458 H N 1.320 120.329 119.070 -0.102 0.000 2.761 458 H HA 0.114 4.669 4.556 -0.001 0.000 0.284 458 H C -1.385 173.778 175.328 -0.274 0.000 1.105 458 H CA -1.396 54.570 56.048 -0.137 0.000 1.352 458 H CB 1.485 31.219 29.762 -0.046 0.000 1.423 458 H HN -0.004 nan 8.280 nan 0.000 0.464 459 P HA -0.150 nan 4.420 nan 0.000 0.222 459 P C 1.495 178.223 177.300 -0.953 0.000 1.147 459 P CA 0.903 63.500 63.100 -0.838 0.000 0.790 459 P CB 0.295 31.075 31.700 -1.533 0.000 0.780 460 S N -0.723 114.612 115.700 -0.609 0.000 2.419 460 S HA -0.058 4.411 4.470 -0.001 0.000 0.233 460 S C 1.091 175.699 174.600 0.014 0.000 1.016 460 S CA 0.419 58.527 58.200 -0.152 0.000 0.974 460 S CB -1.581 61.681 63.200 0.104 0.000 0.786 460 S HN -0.049 nan 8.310 nan 0.000 0.492 461 V N 3.815 123.741 119.914 0.021 0.000 2.479 461 V HA 0.181 4.300 4.120 -0.001 0.000 0.281 461 V C 1.249 177.371 176.094 0.047 0.000 1.031 461 V CA 0.148 62.502 62.300 0.090 0.000 1.038 461 V CB 0.363 32.241 31.823 0.092 0.000 0.981 461 V HN 0.637 nan 8.190 nan 0.000 0.478 462 I N 2.088 122.720 120.570 0.104 0.000 4.057 462 I HA 0.409 4.578 4.170 -0.001 0.000 0.334 462 I C 0.581 176.842 176.117 0.241 0.000 1.308 462 I CA 0.109 61.494 61.300 0.142 0.000 1.125 462 I CB 0.493 38.564 38.000 0.118 0.000 1.034 462 I HN 0.661 nan 8.210 nan 0.000 0.401 463 S N -0.094 115.739 115.700 0.222 0.000 2.645 463 S HA 0.513 4.983 4.470 -0.001 0.000 0.268 463 S C -1.454 173.308 174.600 0.269 0.000 1.110 463 S CA -0.756 57.585 58.200 0.235 0.000 0.823 463 S CB 1.430 64.778 63.200 0.245 0.000 1.091 463 S HN 0.216 nan 8.310 nan 0.000 0.466 464 F N 1.652 121.642 119.950 0.066 0.000 2.518 464 F HA 0.485 5.012 4.527 -0.001 0.000 0.323 464 F C -0.178 175.496 175.800 -0.211 0.000 1.129 464 F CA -0.378 57.548 58.000 -0.123 0.000 0.920 464 F CB 1.467 40.267 39.000 -0.334 0.000 1.160 464 F HN 0.767 nan 8.300 nan 0.000 0.440 465 H N 7.919 126.681 119.070 -0.514 0.000 2.846 465 H HA 0.213 4.769 4.556 -0.001 0.000 0.278 465 H C 1.267 176.391 175.328 -0.339 0.000 1.117 465 H CA 0.309 56.164 56.048 -0.322 0.000 1.406 465 H CB 1.169 30.750 29.762 -0.301 0.000 1.445 465 H HN 0.794 nan 8.280 nan 0.000 0.469 466 I N 0.621 121.209 120.570 0.030 0.000 3.291 466 I HA 0.237 4.407 4.170 -0.001 0.000 0.279 466 I C 0.861 177.174 176.117 0.327 0.000 1.294 466 I CA 0.166 61.552 61.300 0.143 0.000 1.428 466 I CB 0.457 38.595 38.000 0.229 0.000 1.070 466 I HN 0.299 nan 8.210 nan 0.000 0.478 467 G N -0.374 108.572 108.800 0.242 0.000 2.690 467 G HA2 0.474 4.433 3.960 -0.001 0.000 0.293 467 G HA3 0.474 4.433 3.960 -0.001 0.000 0.293 467 G C -0.713 174.311 174.900 0.207 0.000 1.399 467 G CA 0.143 45.405 45.100 0.271 0.000 0.890 467 G HN 0.009 nan 8.290 nan 0.000 0.485 468 S N -0.702 115.105 115.700 0.178 0.000 3.026 468 S HA 0.159 4.629 4.470 -0.001 0.000 0.169 468 S C 1.693 176.314 174.600 0.036 0.000 0.680 468 S CA 1.261 59.512 58.200 0.086 0.000 0.826 468 S CB -0.323 62.921 63.200 0.072 0.000 0.779 468 S HN 0.525 nan 8.310 nan 0.000 0.664 469 D N 1.480 121.899 120.400 0.031 0.000 2.633 469 D HA -0.145 4.494 4.640 -0.001 0.000 0.206 469 D C 0.197 176.385 176.300 -0.186 0.000 1.055 469 D CA 1.788 55.762 54.000 -0.042 0.000 0.903 469 D CB -0.565 40.280 40.800 0.074 0.000 1.115 469 D HN 0.378 nan 8.370 nan 0.000 0.479 470 F N 0.072 120.058 119.950 0.060 0.000 2.422 470 F HA 0.561 5.087 4.527 -0.001 0.000 0.333 470 F C 0.722 176.571 175.800 0.082 0.000 1.095 470 F CA -1.238 56.795 58.000 0.055 0.000 1.038 470 F CB 1.273 40.293 39.000 0.033 0.000 1.156 470 F HN -0.043 nan 8.300 nan 0.000 0.483 471 A N 4.418 127.365 122.820 0.211 0.000 2.445 471 A HA 0.479 4.798 4.320 -0.001 0.000 0.242 471 A C -2.301 175.394 177.584 0.184 0.000 1.075 471 A CA -1.313 50.831 52.037 0.179 0.000 0.777 471 A CB -0.489 18.582 19.000 0.118 0.000 1.013 471 A HN 0.430 nan 8.150 nan 0.000 0.493 472 P HA 0.162 nan 4.420 nan 0.000 0.272 472 P C -0.623 176.704 177.300 0.046 0.000 1.230 472 P CA -0.244 62.922 63.100 0.110 0.000 0.788 472 P CB 0.414 32.227 31.700 0.189 0.000 0.949 473 D N 0.321 120.700 120.400 -0.035 0.000 2.414 473 D HA 0.050 4.690 4.640 -0.001 0.000 0.251 473 D C 1.341 177.630 176.300 -0.018 0.000 1.252 473 D CA -0.390 53.592 54.000 -0.031 0.000 0.999 473 D CB 0.373 41.131 40.800 -0.070 0.000 1.093 473 D HN 0.327 nan 8.370 nan 0.000 0.515 474 R N -0.452 120.040 120.500 -0.013 0.000 2.081 474 R HA -0.152 4.188 4.340 -0.001 0.000 0.235 474 R C 2.326 178.617 176.300 -0.015 0.000 1.131 474 R CA 1.257 57.354 56.100 -0.006 0.000 0.960 474 R CB -0.135 30.161 30.300 -0.007 0.000 0.856 474 R HN 0.530 nan 8.270 nan 0.000 0.436 475 R N 0.374 120.857 120.500 -0.028 0.000 2.073 475 R HA -0.106 4.233 4.340 -0.001 0.000 0.234 475 R C 2.292 178.585 176.300 -0.011 0.000 1.134 475 R CA 1.955 58.038 56.100 -0.028 0.000 0.952 475 R CB -0.294 29.975 30.300 -0.052 0.000 0.850 475 R HN 0.288 nan 8.270 nan 0.000 0.433 476 I N 0.514 121.056 120.570 -0.046 0.000 2.142 476 I HA -0.264 3.905 4.170 -0.001 0.000 0.240 476 I C 2.576 178.533 176.117 -0.267 0.000 1.078 476 I CA 1.563 62.738 61.300 -0.209 0.000 1.343 476 I CB -0.456 37.310 38.000 -0.389 0.000 1.046 476 I HN 0.383 nan 8.210 nan 0.000 0.405 477 E N 0.730 120.892 120.200 -0.062 0.000 2.070 477 E HA -0.361 3.988 4.350 -0.001 0.000 0.197 477 E C 2.185 178.832 176.600 0.079 0.000 1.004 477 E CA 1.792 58.242 56.400 0.083 0.000 0.805 477 E CB -0.044 29.718 29.700 0.104 0.000 0.744 477 E HN 0.311 nan 8.360 nan 0.000 0.451 478 Q N 0.014 119.834 119.800 0.033 0.000 2.112 478 Q HA -0.141 4.198 4.340 -0.001 0.000 0.206 478 Q C 1.960 177.990 176.000 0.051 0.000 0.987 478 Q CA 2.199 58.026 55.803 0.040 0.000 0.858 478 Q CB -0.873 27.875 28.738 0.016 0.000 0.905 478 Q HN 0.396 nan 8.270 nan 0.000 0.420 479 G N -1.128 107.678 108.800 0.010 0.000 2.446 479 G HA2 -0.269 3.690 3.960 -0.001 0.000 0.217 479 G HA3 -0.269 3.690 3.960 -0.001 0.000 0.217 479 G C 0.911 175.895 174.900 0.140 0.000 1.168 479 G CA 1.042 46.162 45.100 0.033 0.000 0.771 479 G HN 0.392 nan 8.290 nan 0.000 0.551 480 Y N 0.788 121.187 120.300 0.165 0.000 2.181 480 Y HA 0.020 4.569 4.550 -0.001 0.000 0.288 480 Y C 2.830 178.773 175.900 0.072 0.000 1.146 480 Y CA 0.389 58.577 58.100 0.146 0.000 1.164 480 Y CB -0.870 37.714 38.460 0.207 0.000 0.982 480 Y HN 0.083 nan 8.280 nan 0.000 0.515 481 L N -0.534 120.827 121.223 0.230 0.000 2.056 481 L HA -0.212 4.127 4.340 -0.001 0.000 0.207 481 L C 2.031 178.970 176.870 0.116 0.000 1.078 481 L CA 1.376 56.301 54.840 0.141 0.000 0.749 481 L CB -0.577 41.549 42.059 0.112 0.000 0.901 481 L HN 0.106 nan 8.230 nan 0.000 0.433 482 D N 0.491 120.959 120.400 0.113 0.000 2.092 482 D HA -0.185 4.454 4.640 -0.001 0.000 0.193 482 D C 2.265 178.642 176.300 0.128 0.000 0.994 482 D CA 1.628 55.687 54.000 0.098 0.000 0.828 482 D CB -0.211 40.634 40.800 0.075 0.000 0.963 482 D HN 0.295 nan 8.370 nan 0.000 0.450 483 A N 0.724 123.644 122.820 0.166 0.000 1.892 483 A HA -0.234 4.085 4.320 -0.001 0.000 0.218 483 A C 2.310 179.996 177.584 0.169 0.000 1.188 483 A CA 1.948 54.123 52.037 0.230 0.000 0.631 483 A CB -0.697 18.453 19.000 0.249 0.000 0.822 483 A HN 0.184 nan 8.150 nan 0.000 0.447 484 M N -0.899 118.737 119.600 0.060 0.000 2.117 484 M HA -0.165 4.314 4.480 -0.001 0.000 0.262 484 M C 2.310 178.669 176.300 0.098 0.000 1.065 484 M CA 2.082 57.393 55.300 0.017 0.000 1.114 484 M CB -0.310 32.298 32.600 0.015 0.000 1.361 484 M HN 0.528 nan 8.290 nan 0.000 0.408 485 K N 0.766 121.229 120.400 0.105 0.000 2.097 485 K HA -0.140 4.179 4.320 -0.001 0.000 0.206 485 K C 1.895 178.563 176.600 0.114 0.000 1.049 485 K CA 1.523 57.867 56.287 0.095 0.000 0.933 485 K CB -0.099 32.447 32.500 0.077 0.000 0.717 485 K HN 0.282 nan 8.250 nan 0.000 0.442 486 A N 0.800 123.717 122.820 0.161 0.000 1.972 486 A HA -0.024 4.296 4.320 -0.001 0.000 0.219 486 A C 2.085 179.864 177.584 0.324 0.000 1.169 486 A CA 1.643 53.816 52.037 0.227 0.000 0.635 486 A CB -0.447 18.690 19.000 0.228 0.000 0.810 486 A HN 0.466 nan 8.150 nan 0.000 0.446 487 A N -1.268 121.665 122.820 0.189 0.000 2.275 487 A HA 0.305 4.625 4.320 -0.001 0.000 0.212 487 A C 0.395 177.902 177.584 -0.129 0.000 1.201 487 A CA 0.681 52.643 52.037 -0.126 0.000 0.843 487 A CB -0.158 18.515 19.000 -0.544 0.000 0.873 487 A HN 0.388 nan 8.150 nan 0.000 0.492 488 D N -1.934 118.479 120.400 0.022 0.000 2.811 488 D HA -0.208 4.431 4.640 -0.001 0.000 0.231 488 D C -0.286 176.015 176.300 0.002 0.000 1.157 488 D CA 0.874 54.898 54.000 0.040 0.000 0.716 488 D CB -1.764 39.120 40.800 0.140 0.000 1.077 488 D HN 0.541 nan 8.370 nan 0.000 0.428 489 F N 0.736 120.602 119.950 -0.139 0.000 2.434 489 F HA 0.253 4.780 4.527 -0.001 0.000 0.358 489 F C 1.060 176.800 175.800 -0.100 0.000 1.136 489 F CA -0.239 57.667 58.000 -0.156 0.000 1.157 489 F CB 0.306 39.169 39.000 -0.228 0.000 1.167 489 F HN -0.035 nan 8.300 nan 0.000 0.539 490 L N 6.897 127.839 121.223 -0.468 0.000 2.857 490 L HA 0.266 4.605 4.340 -0.001 0.000 0.249 490 L C -0.057 176.601 176.870 -0.354 0.000 1.172 490 L CA -0.132 54.538 54.840 -0.283 0.000 0.980 490 L CB -0.260 41.690 42.059 -0.181 0.000 1.299 490 L HN 0.482 nan 8.230 nan 0.000 0.535 491 L N 0.430 121.244 121.223 -0.681 0.000 2.456 491 L HA 0.334 4.673 4.340 -0.001 0.000 0.257 491 L C -1.913 174.879 176.870 -0.130 0.000 1.162 491 L CA -1.839 52.741 54.840 -0.434 0.000 0.808 491 L CB 0.245 41.945 42.059 -0.598 0.000 1.136 491 L HN -0.192 nan 8.230 nan 0.000 0.466 492 P HA -0.005 nan 4.420 nan 0.000 0.264 492 P C -1.042 176.283 177.300 0.041 0.000 1.183 492 P CA 0.023 63.108 63.100 -0.026 0.000 0.763 492 P CB 0.486 32.140 31.700 -0.076 0.000 0.807 493 V N 5.480 125.404 119.914 0.016 0.000 2.370 493 V HA 0.292 4.411 4.120 -0.001 0.000 0.283 493 V C 0.228 176.264 176.094 -0.096 0.000 1.023 493 V CA -0.474 61.840 62.300 0.023 0.000 0.857 493 V CB 1.120 32.983 31.823 0.065 0.000 0.985 493 V HN 0.355 nan 8.190 nan 0.000 0.443 494 I N 7.877 128.314 120.570 -0.222 0.000 2.354 494 I HA 0.363 4.533 4.170 -0.001 0.000 0.292 494 I C -1.339 174.646 176.117 -0.220 0.000 0.989 494 I CA -2.478 58.605 61.300 -0.362 0.000 1.188 494 I CB 1.843 39.331 38.000 -0.855 0.000 1.342 494 I HN 0.383 nan 8.210 nan 0.000 0.457 495 P HA 0.043 nan 4.420 nan 0.000 0.222 495 P C 0.181 177.533 177.300 0.086 0.000 1.153 495 P CA 0.822 63.941 63.100 0.032 0.000 0.798 495 P CB 0.979 32.700 31.700 0.035 0.000 0.796 496 A N -1.396 121.476 122.820 0.086 0.000 2.608 496 A HA 0.622 4.941 4.320 -0.001 0.000 0.292 496 A C 0.463 178.186 177.584 0.231 0.000 1.066 496 A CA 0.027 52.158 52.037 0.156 0.000 0.676 496 A CB 0.501 19.540 19.000 0.065 0.000 1.277 496 A HN -0.082 nan 8.150 nan 0.000 0.413 497 A N 0.309 123.222 122.820 0.155 0.000 2.132 497 A HA 0.429 4.749 4.320 -0.001 0.000 0.213 497 A C 1.439 179.024 177.584 0.003 0.000 1.154 497 A CA 1.443 53.500 52.037 0.034 0.000 0.753 497 A CB -0.647 18.231 19.000 -0.203 0.000 0.826 497 A HN 1.922 nan 8.150 nan 0.000 0.469 498 S N -1.089 114.601 115.700 -0.018 0.000 2.671 498 S HA 0.566 5.035 4.470 -0.001 0.000 0.272 498 S C 1.123 175.715 174.600 -0.014 0.000 1.174 498 S CA 0.003 58.178 58.200 -0.041 0.000 1.004 498 S CB 1.056 64.187 63.200 -0.115 0.000 1.077 498 S HN 0.812 nan 8.310 nan 0.000 0.553 499 A N -0.295 122.516 122.820 -0.015 0.000 2.235 499 A HA 0.186 4.505 4.320 -0.001 0.000 0.208 499 A C 0.966 178.548 177.584 -0.003 0.000 1.172 499 A CA -0.117 51.926 52.037 0.010 0.000 0.786 499 A CB -0.608 18.415 19.000 0.037 0.000 0.804 499 A HN 0.703 nan 8.150 nan 0.000 0.479 500 R N 1.396 121.874 120.500 -0.037 0.000 2.421 500 R HA 0.211 4.551 4.340 -0.001 0.000 0.305 500 R C -2.485 173.820 176.300 0.009 0.000 1.039 500 R CA -1.402 54.681 56.100 -0.029 0.000 1.003 500 R CB 0.229 30.478 30.300 -0.085 0.000 0.959 500 R HN 0.274 nan 8.270 nan 0.000 0.427 501 P HA 0.034 nan 4.420 nan 0.000 0.276 501 P C -0.622 176.705 177.300 0.044 0.000 1.244 501 P CA -0.438 62.679 63.100 0.029 0.000 0.801 501 P CB 1.218 32.934 31.700 0.025 0.000 1.006 502 S N 0.521 116.248 115.700 0.046 0.000 2.690 502 S HA 0.503 4.972 4.470 -0.001 0.000 0.291 502 S C -1.878 172.747 174.600 0.042 0.000 1.138 502 S CA -1.408 56.827 58.200 0.057 0.000 1.013 502 S CB 0.807 64.052 63.200 0.075 0.000 1.053 502 S HN 0.219 nan 8.310 nan 0.000 0.539 503 P HA 0.063 nan 4.420 nan 0.000 0.218 503 P C 0.951 178.267 177.300 0.026 0.000 1.149 503 P CA 0.948 64.065 63.100 0.028 0.000 0.817 503 P CB -0.047 31.666 31.700 0.022 0.000 0.785 504 I N -1.791 118.799 120.570 0.033 0.000 2.726 504 I HA -0.056 4.114 4.170 -0.001 0.000 0.243 504 I C 2.052 178.186 176.117 0.028 0.000 1.082 504 I CA 1.066 62.384 61.300 0.031 0.000 1.447 504 I CB -1.254 36.768 38.000 0.037 0.000 1.250 504 I HN -0.198 nan 8.210 nan 0.000 0.453 505 T N 0.536 115.111 114.554 0.035 0.000 2.788 505 T HA 0.097 4.447 4.350 -0.001 0.000 0.268 505 T C 1.093 175.799 174.700 0.011 0.000 1.044 505 T CA 1.230 63.344 62.100 0.023 0.000 1.139 505 T CB -0.431 68.454 68.868 0.028 0.000 0.867 505 T HN 0.694 nan 8.240 nan 0.000 0.454 506 G N 1.006 109.816 108.800 0.017 0.000 2.513 506 G HA2 0.117 4.077 3.960 -0.001 0.000 0.227 506 G HA3 0.117 4.077 3.960 -0.001 0.000 0.227 506 G C -0.037 174.867 174.900 0.008 0.000 1.176 506 G CA -0.321 44.786 45.100 0.012 0.000 0.967 506 G HN 0.843 nan 8.290 nan 0.000 0.587 507 A N -0.020 122.801 122.820 0.003 0.000 2.462 507 A HA 0.641 4.960 4.320 -0.001 0.000 0.243 507 A C 1.785 179.363 177.584 -0.011 0.000 1.076 507 A CA 1.404 53.443 52.037 0.004 0.000 0.773 507 A CB 0.524 19.530 19.000 0.009 0.000 1.010 507 A HN 2.322 nan 8.150 nan 0.000 0.493 508 S N 1.988 117.685 115.700 -0.005 0.000 2.395 508 S HA 0.238 4.707 4.470 -0.001 0.000 0.225 508 S C 1.575 176.151 174.600 -0.041 0.000 1.027 508 S CA 1.111 59.295 58.200 -0.027 0.000 0.965 508 S CB -0.618 62.582 63.200 -0.001 0.000 0.812 508 S HN 2.596 nan 8.310 nan 0.000 0.482 509 G N 1.185 109.987 108.800 0.003 0.000 2.155 509 G HA2 -0.257 3.703 3.960 -0.001 0.000 0.257 509 G HA3 -0.257 3.703 3.960 -0.001 0.000 0.257 509 G C -0.022 174.923 174.900 0.074 0.000 0.983 509 G CA 0.887 46.007 45.100 0.033 0.000 0.676 509 G HN 0.558 nan 8.290 nan 0.000 0.528 510 M N -0.927 118.708 119.600 0.059 0.000 2.727 510 M HA 0.634 5.113 4.480 -0.001 0.000 0.300 510 M C -0.043 176.299 176.300 0.070 0.000 1.246 510 M CA -0.924 54.438 55.300 0.104 0.000 0.835 510 M CB 2.460 35.094 32.600 0.057 0.000 1.755 510 M HN 0.268 nan 8.290 nan 0.000 0.473 511 K N 0.874 121.304 120.400 0.050 0.000 2.469 511 K HA 0.738 5.057 4.320 -0.001 0.000 0.254 511 K C -1.572 175.004 176.600 -0.040 0.000 0.939 511 K CA -0.828 55.447 56.287 -0.020 0.000 0.812 511 K CB 2.859 35.286 32.500 -0.121 0.000 1.301 511 K HN 0.832 nan 8.250 nan 0.000 0.433 512 M N 3.860 123.440 119.600 -0.032 0.000 2.067 512 M HA 0.300 4.779 4.480 -0.001 0.000 0.214 512 M C -1.289 175.036 176.300 0.042 0.000 0.891 512 M CA -0.343 54.944 55.300 -0.021 0.000 0.697 512 M CB 0.581 33.170 32.600 -0.018 0.000 1.616 512 M HN 0.710 nan 8.290 nan 0.000 0.354 513 N N 1.763 120.474 118.700 0.017 0.000 2.204 513 N HA 0.304 5.043 4.740 -0.001 0.000 0.219 513 N C 0.652 176.235 175.510 0.121 0.000 1.151 513 N CA 0.843 53.949 53.050 0.093 0.000 0.867 513 N CB 1.091 39.617 38.487 0.065 0.000 1.043 513 N HN 0.880 nan 8.380 nan 0.000 0.516 514 G N 1.836 110.640 108.800 0.007 0.000 2.697 514 G HA2 -0.244 3.715 3.960 -0.001 0.000 0.240 514 G HA3 -0.244 3.715 3.960 -0.001 0.000 0.240 514 G C -2.765 172.007 174.900 -0.213 0.000 1.346 514 G CA -0.694 44.242 45.100 -0.273 0.000 0.887 514 G HN 0.153 nan 8.290 nan 0.000 0.569 515 P HA 0.481 nan 4.420 nan 0.000 0.279 515 P C -0.635 176.362 177.300 -0.505 0.000 1.276 515 P CA -0.045 62.873 63.100 -0.303 0.000 0.801 515 P CB 0.478 31.920 31.700 -0.430 0.000 1.127 516 Y N -2.354 118.009 120.300 0.105 0.000 2.767 516 Y HA 0.356 4.905 4.550 -0.001 0.000 0.254 516 Y C 0.507 176.606 175.900 0.331 0.000 1.133 516 Y CA -0.149 58.001 58.100 0.084 0.000 1.225 516 Y CB 0.858 39.297 38.460 -0.034 0.000 1.312 516 Y HN 0.222 nan 8.280 nan 0.000 0.560 517 D N -1.711 118.945 120.400 0.427 0.000 2.812 517 D HA 0.094 4.733 4.640 -0.001 0.000 0.318 517 D C -1.301 175.169 176.300 0.283 0.000 1.234 517 D CA -0.845 53.424 54.000 0.448 0.000 0.989 517 D CB 1.388 42.537 40.800 0.582 0.000 1.442 517 D HN -0.151 nan 8.370 nan 0.000 0.537 518 Y N 1.423 121.872 120.300 0.249 0.000 2.721 518 Y HA 0.269 4.818 4.550 -0.001 0.000 0.329 518 Y C -0.097 175.854 175.900 0.085 0.000 1.211 518 Y CA 0.528 58.761 58.100 0.221 0.000 1.512 518 Y CB 0.073 38.691 38.460 0.264 0.000 1.249 518 Y HN 0.088 nan 8.280 nan 0.000 0.549 519 V N 5.873 125.271 119.914 -0.861 0.000 2.925 519 V HA 0.705 4.824 4.120 -0.001 0.000 0.311 519 V C -2.831 172.672 176.094 -0.984 0.000 1.104 519 V CA -2.633 59.167 62.300 -0.832 0.000 0.954 519 V CB 1.909 32.983 31.823 -1.248 0.000 1.022 519 V HN 0.651 nan 8.190 nan 0.000 0.427 520 P HA 0.358 nan 4.420 nan 0.000 0.274 520 P C -2.433 174.818 177.300 -0.082 0.000 1.246 520 P CA -1.603 61.418 63.100 -0.132 0.000 0.795 520 P CB 0.840 32.538 31.700 -0.002 0.000 1.006 521 P HA -0.171 nan 4.420 nan 0.000 0.216 521 P C 1.724 179.158 177.300 0.223 0.000 1.154 521 P CA 1.019 64.180 63.100 0.102 0.000 0.865 521 P CB -0.193 31.305 31.700 -0.336 0.000 0.789 522 V N -1.338 118.653 119.914 0.130 0.000 2.720 522 V HA -0.266 3.854 4.120 -0.001 0.000 0.256 522 V C 2.129 178.386 176.094 0.272 0.000 1.082 522 V CA 1.510 63.973 62.300 0.271 0.000 1.101 522 V CB -1.284 30.628 31.823 0.149 0.000 0.693 522 V HN 0.077 nan 8.190 nan 0.000 0.479 523 Y N -0.266 119.995 120.300 -0.064 0.000 2.139 523 Y HA -0.316 4.233 4.550 -0.001 0.000 0.282 523 Y C 1.893 177.744 175.900 -0.082 0.000 1.179 523 Y CA 2.460 60.444 58.100 -0.193 0.000 1.161 523 Y CB -0.387 37.714 38.460 -0.598 0.000 0.970 523 Y HN 0.443 nan 8.280 nan 0.000 0.511 524 W N -1.722 119.753 121.300 0.292 0.000 2.465 524 W HA -0.129 4.531 4.660 -0.001 0.000 0.268 524 W C 1.471 177.910 176.519 -0.133 0.000 1.242 524 W CA 0.665 58.068 57.345 0.096 0.000 1.248 524 W CB -0.578 28.900 29.460 0.030 0.000 1.118 524 W HN 0.071 nan 8.180 nan 0.000 0.587 525 Y N 0.187 120.637 120.300 0.251 0.000 2.578 525 Y HA -0.023 4.526 4.550 -0.001 0.000 0.297 525 Y C 0.804 176.751 175.900 0.078 0.000 1.176 525 Y CA 0.225 58.413 58.100 0.146 0.000 1.315 525 Y CB -0.653 37.889 38.460 0.137 0.000 1.031 525 Y HN -0.239 nan 8.280 nan 0.000 0.524 526 D N 0.642 121.128 120.400 0.143 0.000 2.425 526 D HA 0.021 4.660 4.640 -0.001 0.000 0.247 526 D C 0.514 176.854 176.300 0.067 0.000 1.147 526 D CA 0.513 54.540 54.000 0.046 0.000 0.879 526 D CB 0.723 41.482 40.800 -0.068 0.000 1.179 526 D HN 0.143 nan 8.370 nan 0.000 0.456 527 K N 1.309 121.674 120.400 -0.058 0.000 2.402 527 K HA 0.033 4.352 4.320 -0.001 0.000 0.204 527 K C 1.557 177.884 176.600 -0.455 0.000 1.056 527 K CA 0.121 56.261 56.287 -0.244 0.000 1.069 527 K CB 0.547 32.928 32.500 -0.198 0.000 0.888 527 K HN 0.430 nan 8.250 nan 0.000 0.546 528 S N 0.540 116.013 115.700 -0.379 0.000 2.461 528 S HA -0.008 4.462 4.470 -0.001 0.000 0.228 528 S C 0.810 175.118 174.600 -0.487 0.000 1.005 528 S CA 0.348 58.299 58.200 -0.415 0.000 0.942 528 S CB 0.077 63.052 63.200 -0.375 0.000 0.776 528 S HN 0.055 nan 8.310 nan 0.000 0.514 529 Q N 1.939 121.413 119.800 -0.543 0.000 2.465 529 Q HA 0.276 4.616 4.340 -0.001 0.000 0.237 529 Q C 0.469 176.364 176.000 -0.175 0.000 1.051 529 Q CA -0.154 55.364 55.803 -0.477 0.000 0.874 529 Q CB 1.435 29.697 28.738 -0.793 0.000 1.207 529 Q HN 0.787 nan 8.270 nan 0.000 0.508 530 K N 0.304 120.591 120.400 -0.189 0.000 2.504 530 K HA -0.030 4.289 4.320 -0.001 0.000 0.195 530 K C -0.089 176.650 176.600 0.232 0.000 1.036 530 K CA 0.905 57.133 56.287 -0.098 0.000 0.984 530 K CB 0.463 32.833 32.500 -0.217 0.000 0.788 530 K HN 0.147 nan 8.250 nan 0.000 0.488 531 D N 0.625 121.111 120.400 0.143 0.000 2.388 531 D HA 0.111 4.751 4.640 -0.001 0.000 0.221 531 D C 0.039 176.445 176.300 0.176 0.000 1.133 531 D CA 0.031 54.129 54.000 0.163 0.000 0.831 531 D CB 0.475 41.337 40.800 0.103 0.000 0.962 531 D HN 0.078 nan 8.370 nan 0.000 0.502 532 R N -0.497 120.130 120.500 0.211 0.000 3.029 532 R HA 0.566 4.906 4.340 -0.001 0.000 0.239 532 R C 0.973 177.333 176.300 0.100 0.000 1.351 532 R CA -0.895 55.315 56.100 0.182 0.000 1.052 532 R CB -0.002 30.388 30.300 0.150 0.000 1.354 532 R HN -0.083 nan 8.270 nan 0.000 0.499 533 G N -0.306 108.569 108.800 0.124 0.000 3.609 533 G HA2 0.243 4.202 3.960 -0.001 0.000 0.280 533 G HA3 0.243 4.202 3.960 -0.001 0.000 0.280 533 G C 0.456 175.405 174.900 0.081 0.000 1.155 533 G CA 0.035 45.177 45.100 0.071 0.000 0.876 533 G HN 0.537 nan 8.290 nan 0.000 0.535 534 G N -0.341 108.404 108.800 -0.091 0.000 2.683 534 G HA2 0.442 4.402 3.960 -0.001 0.000 0.260 534 G HA3 0.442 4.402 3.960 -0.001 0.000 0.260 534 G C 0.496 175.254 174.900 -0.236 0.000 1.238 534 G CA 0.111 45.195 45.100 -0.027 0.000 0.934 534 G HN 0.586 nan 8.290 nan 0.000 0.534 535 A N 1.189 123.866 122.820 -0.239 0.000 2.915 535 A HA 0.547 4.867 4.320 -0.001 0.000 0.292 535 A C -0.298 177.187 177.584 -0.165 0.000 1.632 535 A CA -0.388 51.217 52.037 -0.721 0.000 1.337 535 A CB -1.002 17.510 19.000 -0.813 0.000 1.111 535 A HN 0.892 nan 8.150 nan 0.000 0.569 536 W N -0.039 121.147 121.300 -0.190 0.000 3.464 536 W HA 0.543 5.202 4.660 -0.001 0.000 0.292 536 W C -0.226 176.305 176.519 0.021 0.000 1.262 536 W CA -0.103 57.205 57.345 -0.062 0.000 1.202 536 W CB -0.109 29.313 29.460 -0.064 0.000 1.334 536 W HN 1.149 nan 8.180 nan 0.000 0.561 537 S N 0.538 116.391 115.700 0.255 0.000 3.569 537 S HA -0.282 4.187 4.470 -0.001 0.000 0.635 537 S C -0.991 173.685 174.600 0.127 0.000 2.396 537 S CA 0.766 59.080 58.200 0.190 0.000 2.612 537 S CB -1.223 62.066 63.200 0.148 0.000 0.331 537 S HN 0.964 nan 8.310 nan 0.000 1.764 538 F N 2.635 122.597 119.950 0.020 0.000 2.308 538 F HA 0.478 5.004 4.527 -0.001 0.000 0.370 538 F C 0.314 176.091 175.800 -0.038 0.000 1.100 538 F CA -0.745 57.281 58.000 0.042 0.000 1.108 538 F CB 0.607 39.669 39.000 0.104 0.000 1.293 538 F HN 0.503 nan 8.300 nan 0.000 0.478 539 N N 3.283 121.931 118.700 -0.087 0.000 2.466 539 N HA -0.028 4.711 4.740 -0.001 0.000 0.263 539 N C 0.989 176.471 175.510 -0.047 0.000 1.178 539 N CA 0.229 53.215 53.050 -0.106 0.000 0.983 539 N CB 0.968 39.347 38.487 -0.179 0.000 1.331 539 N HN 0.690 nan 8.380 nan 0.000 0.500 540 S N 1.235 117.012 115.700 0.129 0.000 2.522 540 S HA -0.035 4.434 4.470 -0.001 0.000 0.227 540 S C 0.089 174.638 174.600 -0.085 0.000 0.986 540 S CA 0.210 58.511 58.200 0.168 0.000 0.929 540 S CB -0.164 63.101 63.200 0.108 0.000 0.769 540 S HN 0.655 nan 8.310 nan 0.000 0.529 541 E N -0.809 119.243 120.200 -0.247 0.000 2.651 541 E HA 0.382 4.732 4.350 -0.001 0.000 0.360 541 E C -1.089 175.191 176.600 -0.533 0.000 0.932 541 E CA -0.546 55.574 56.400 -0.468 0.000 0.761 541 E CB 0.306 29.273 29.700 -1.222 0.000 1.462 541 E HN 0.012 nan 8.360 nan 0.000 0.392 542 T N 0.937 115.236 114.554 -0.425 0.000 2.923 542 T HA 0.744 5.093 4.350 -0.001 0.000 0.311 542 T C -1.312 173.110 174.700 -0.464 0.000 1.183 542 T CA 0.250 62.055 62.100 -0.493 0.000 1.020 542 T CB 1.849 70.566 68.868 -0.252 0.000 1.165 542 T HN 0.805 nan 8.240 nan 0.000 0.482 543 S N 1.644 117.133 115.700 -0.352 0.000 2.752 543 S HA 0.758 5.228 4.470 -0.001 0.000 0.284 543 S C 0.222 174.923 174.600 0.168 0.000 1.189 543 S CA -0.208 57.845 58.200 -0.245 0.000 0.835 543 S CB 1.018 63.819 63.200 -0.664 0.000 1.192 543 S HN 1.165 nan 8.310 nan 0.000 0.506 544 A N -0.260 122.744 122.820 0.306 0.000 2.460 544 A HA 0.730 5.050 4.320 -0.001 0.000 0.258 544 A C 1.436 179.245 177.584 0.375 0.000 1.300 544 A CA 0.677 52.890 52.037 0.293 0.000 0.913 544 A CB -1.457 17.714 19.000 0.285 0.000 1.031 544 A HN 2.442 nan 8.150 nan 0.000 0.512 545 G N -0.758 108.280 108.800 0.398 0.000 2.866 545 G HA2 -0.242 3.717 3.960 -0.001 0.000 0.274 545 G HA3 -0.242 3.717 3.960 -0.001 0.000 0.274 545 G C 0.260 175.348 174.900 0.313 0.000 1.413 545 G CA -0.146 45.244 45.100 0.483 0.000 0.997 545 G HN 0.867 nan 8.290 nan 0.000 0.559 546 V N 2.688 122.699 119.914 0.161 0.000 2.673 546 V HA 0.416 4.535 4.120 -0.001 0.000 0.303 546 V C -0.233 175.742 176.094 -0.198 0.000 1.046 546 V CA 1.113 63.320 62.300 -0.156 0.000 1.126 546 V CB 1.352 32.815 31.823 -0.601 0.000 0.934 546 V HN 0.573 nan 8.190 nan 0.000 0.487 547 D N 4.103 124.417 120.400 -0.145 0.000 2.429 547 D HA 0.266 4.906 4.640 -0.001 0.000 0.255 547 D C -0.352 175.900 176.300 -0.080 0.000 1.257 547 D CA -0.411 53.565 54.000 -0.040 0.000 0.890 547 D CB 0.987 41.837 40.800 0.085 0.000 1.267 547 D HN 0.225 nan 8.370 nan 0.000 0.521 548 I N 3.339 123.829 120.570 -0.134 0.000 2.668 548 I HA 0.065 4.234 4.170 -0.001 0.000 0.285 548 I C -1.693 174.419 176.117 -0.008 0.000 1.168 548 I CA -1.335 59.933 61.300 -0.054 0.000 1.424 548 I CB -0.266 37.736 38.000 0.002 0.000 1.377 548 I HN -0.014 nan 8.210 nan 0.000 0.560 549 P HA 0.099 nan 4.420 nan 0.000 0.277 549 P C -0.085 177.228 177.300 0.021 0.000 1.276 549 P CA -0.305 62.796 63.100 0.001 0.000 0.788 549 P CB 0.149 31.840 31.700 -0.016 0.000 1.114 550 T N -2.370 112.197 114.554 0.021 0.000 2.906 550 T HA -0.032 4.317 4.350 -0.001 0.000 0.320 550 T C 1.384 176.102 174.700 0.031 0.000 1.088 550 T CA -0.172 61.944 62.100 0.027 0.000 1.120 550 T CB -0.098 68.781 68.868 0.019 0.000 1.000 550 T HN 0.273 nan 8.240 nan 0.000 0.550 551 M N 1.271 120.887 119.600 0.027 0.000 2.106 551 M HA -0.119 4.360 4.480 -0.001 0.000 0.259 551 M C 1.755 178.065 176.300 0.017 0.000 1.068 551 M CA 1.807 57.120 55.300 0.022 0.000 1.100 551 M CB -1.017 31.587 32.600 0.007 0.000 1.351 551 M HN 0.763 nan 8.290 nan 0.000 0.404 552 D N -1.275 119.132 120.400 0.010 0.000 2.123 552 D HA -0.167 4.473 4.640 -0.001 0.000 0.196 552 D C 1.752 178.057 176.300 0.010 0.000 0.992 552 D CA 2.085 56.083 54.000 -0.003 0.000 0.833 552 D CB -0.256 40.536 40.800 -0.013 0.000 0.954 552 D HN 0.422 nan 8.370 nan 0.000 0.455 553 T N 1.590 116.178 114.554 0.056 0.000 2.777 553 T HA -0.050 4.299 4.350 -0.001 0.000 0.266 553 T C 2.288 177.045 174.700 0.096 0.000 1.040 553 T CA 0.279 62.464 62.100 0.141 0.000 1.141 553 T CB -0.244 68.731 68.868 0.179 0.000 0.868 553 T HN 0.093 nan 8.240 nan 0.000 0.444 554 L N 0.541 121.790 121.223 0.043 0.000 2.051 554 L HA -0.196 4.143 4.340 -0.001 0.000 0.214 554 L C 2.532 179.422 176.870 0.033 0.000 1.076 554 L CA 1.599 56.449 54.840 0.017 0.000 0.758 554 L CB -0.432 41.645 42.059 0.030 0.000 0.890 554 L HN 0.242 nan 8.230 nan 0.000 0.433 555 K N -0.661 119.765 120.400 0.043 0.000 2.366 555 K HA -0.064 4.256 4.320 -0.001 0.000 0.198 555 K C 2.096 178.749 176.600 0.087 0.000 1.044 555 K CA 0.586 56.907 56.287 0.056 0.000 0.973 555 K CB 0.071 32.586 32.500 0.025 0.000 0.767 555 K HN 0.277 nan 8.250 nan 0.000 0.475 556 R N 0.352 120.901 120.500 0.082 0.000 2.200 556 R HA 0.061 4.401 4.340 -0.001 0.000 0.208 556 R C 2.139 178.616 176.300 0.294 0.000 1.033 556 R CA 0.926 57.095 56.100 0.115 0.000 1.000 556 R CB 0.089 30.382 30.300 -0.011 0.000 0.906 556 R HN 0.282 nan 8.270 nan 0.000 0.462 557 M N -2.257 117.447 119.600 0.175 0.000 2.421 557 M HA 0.356 4.836 4.480 -0.001 0.000 0.258 557 M C 0.217 176.323 176.300 -0.324 0.000 1.122 557 M CA 0.656 55.916 55.300 -0.067 0.000 1.078 557 M CB 0.852 33.235 32.600 -0.361 0.000 1.380 557 M HN -0.150 nan 8.290 nan 0.000 0.499 558 M N 1.426 120.937 119.600 -0.148 0.000 2.484 558 M HA 0.410 4.890 4.480 -0.001 0.000 0.289 558 M C -0.465 175.805 176.300 -0.051 0.000 1.206 558 M CA -0.680 54.468 55.300 -0.252 0.000 0.892 558 M CB 2.891 35.388 32.600 -0.171 0.000 1.712 558 M HN 0.266 nan 8.290 nan 0.000 0.462 559 S N 1.055 116.683 115.700 -0.120 0.000 2.632 559 S HA 0.554 5.023 4.470 -0.001 0.000 0.267 559 S C 1.130 175.763 174.600 0.055 0.000 1.276 559 S CA -0.112 58.132 58.200 0.073 0.000 0.998 559 S CB 1.324 64.553 63.200 0.048 0.000 0.953 559 S HN 0.827 nan 8.310 nan 0.000 0.547 560 A N 2.001 124.869 122.820 0.080 0.000 1.915 560 A HA -0.183 4.136 4.320 -0.001 0.000 0.220 560 A C 2.544 180.155 177.584 0.045 0.000 1.198 560 A CA 2.800 54.874 52.037 0.062 0.000 0.647 560 A CB -1.882 17.153 19.000 0.059 0.000 0.825 560 A HN 1.489 nan 8.150 nan 0.000 0.456 561 S N -0.551 115.164 115.700 0.025 0.000 2.387 561 S HA -0.144 4.325 4.470 -0.001 0.000 0.226 561 S C 1.695 176.281 174.600 -0.023 0.000 1.026 561 S CA 1.294 59.494 58.200 0.000 0.000 0.972 561 S CB -0.462 62.735 63.200 -0.006 0.000 0.814 561 S HN 0.668 nan 8.310 nan 0.000 0.477 562 E N 1.352 121.535 120.200 -0.028 0.000 2.077 562 E HA -0.042 4.307 4.350 -0.001 0.000 0.193 562 E C 2.084 178.663 176.600 -0.035 0.000 0.989 562 E CA 1.429 57.802 56.400 -0.045 0.000 0.800 562 E CB -0.429 29.231 29.700 -0.067 0.000 0.746 562 E HN 0.508 nan 8.360 nan 0.000 0.452 563 L N 0.835 122.059 121.223 0.001 0.000 2.083 563 L HA -0.200 4.139 4.340 -0.001 0.000 0.209 563 L C 2.204 179.140 176.870 0.110 0.000 1.083 563 L CA 1.080 55.951 54.840 0.052 0.000 0.752 563 L CB -0.270 41.837 42.059 0.081 0.000 0.899 563 L HN 0.102 nan 8.230 nan 0.000 0.433 564 D N -0.501 119.943 120.400 0.073 0.000 2.097 564 D HA -0.168 4.471 4.640 -0.001 0.000 0.195 564 D C 2.089 178.190 176.300 -0.331 0.000 0.989 564 D CA 1.595 55.596 54.000 0.002 0.000 0.827 564 D CB 0.113 40.921 40.800 0.012 0.000 0.966 564 D HN 0.118 nan 8.370 nan 0.000 0.456 565 T N 0.232 114.650 114.554 -0.227 0.000 2.720 565 T HA -0.217 4.133 4.350 -0.001 0.000 0.268 565 T C 1.928 176.450 174.700 -0.296 0.000 1.037 565 T CA 1.269 63.212 62.100 -0.261 0.000 1.144 565 T CB -0.328 68.450 68.868 -0.151 0.000 0.864 565 T HN 0.229 nan 8.240 nan 0.000 0.444 566 M N 0.653 120.121 119.600 -0.220 0.000 2.082 566 M HA -0.126 4.353 4.480 -0.001 0.000 0.258 566 M C 2.309 178.310 176.300 -0.497 0.000 1.069 566 M CA 1.983 57.136 55.300 -0.246 0.000 1.102 566 M CB -0.221 32.297 32.600 -0.138 0.000 1.336 566 M HN 0.635 nan 8.290 nan 0.000 0.404 567 W N 0.226 121.137 121.300 -0.648 0.000 2.576 567 W HA 0.030 4.690 4.660 -0.001 0.000 0.275 567 W C 1.384 177.684 176.519 -0.365 0.000 1.241 567 W CA 0.364 57.188 57.345 -0.869 0.000 1.328 567 W CB -0.821 28.271 29.460 -0.613 0.000 1.092 567 W HN 0.145 nan 8.180 nan 0.000 0.586 568 K N 0.684 120.369 120.400 -1.192 0.000 2.103 568 K HA -0.130 4.190 4.320 -0.001 0.000 0.204 568 K C 0.481 176.809 176.600 -0.454 0.000 1.052 568 K CA 1.078 56.767 56.287 -0.996 0.000 0.945 568 K CB -0.201 31.649 32.500 -1.082 0.000 0.722 568 K HN -0.100 nan 8.250 nan 0.000 0.443 569 N N -0.003 118.480 118.700 -0.361 0.000 2.752 569 N HA 0.175 4.914 4.740 -0.001 0.000 0.260 569 N C -2.566 172.864 175.510 -0.133 0.000 1.562 569 N CA -1.971 50.959 53.050 -0.200 0.000 0.788 569 N CB 1.186 39.569 38.487 -0.174 0.000 1.192 569 N HN -0.228 nan 8.380 nan 0.000 0.503 570 P HA -0.053 nan 4.420 nan 0.000 0.221 570 P C 0.900 178.214 177.300 0.023 0.000 1.145 570 P CA 0.977 64.082 63.100 0.007 0.000 0.795 570 P CB 0.411 32.193 31.700 0.138 0.000 0.775 571 S N -0.849 114.851 115.700 0.000 0.000 2.447 571 S HA 0.038 4.508 4.470 -0.001 0.000 0.233 571 S C 1.164 175.757 174.600 -0.011 0.000 1.006 571 S CA 0.449 58.651 58.200 0.003 0.000 0.957 571 S CB -0.711 62.487 63.200 -0.003 0.000 0.773 571 S HN 0.189 nan 8.310 nan 0.000 0.507 572 A N 2.020 124.820 122.820 -0.034 0.000 2.498 572 A HA 0.218 4.537 4.320 -0.001 0.000 0.239 572 A C 0.281 177.852 177.584 -0.021 0.000 1.068 572 A CA -0.115 51.901 52.037 -0.036 0.000 0.766 572 A CB 0.101 19.064 19.000 -0.060 0.000 1.003 572 A HN 0.373 nan 8.150 nan 0.000 0.497 573 K N 1.624 122.017 120.400 -0.011 0.000 2.489 573 K HA 0.115 4.435 4.320 -0.001 0.000 0.278 573 K C -0.331 176.273 176.600 0.007 0.000 1.000 573 K CA 0.346 56.634 56.287 0.001 0.000 1.012 573 K CB 0.289 32.797 32.500 0.014 0.000 0.903 573 K HN 0.597 nan 8.250 nan 0.000 0.485 574 Q N 2.416 122.220 119.800 0.006 0.000 2.333 574 Q HA 0.056 4.395 4.340 -0.001 0.000 0.268 574 Q C 0.042 176.078 176.000 0.060 0.000 1.007 574 Q CA -0.320 55.495 55.803 0.021 0.000 0.810 574 Q CB 1.247 29.972 28.738 -0.023 0.000 1.264 574 Q HN 0.631 nan 8.270 nan 0.000 0.452 575 Y N 3.039 123.330 120.300 -0.015 0.000 2.256 575 Y HA -0.198 4.352 4.550 -0.001 0.000 0.288 575 Y C 1.315 177.189 175.900 -0.043 0.000 1.155 575 Y CA 1.969 60.062 58.100 -0.012 0.000 1.203 575 Y CB 0.400 38.858 38.460 -0.004 0.000 0.980 575 Y HN 0.670 nan 8.280 nan 0.000 0.530 576 H N -0.440 118.564 119.070 -0.110 0.000 2.555 576 H HA 0.110 4.665 4.556 -0.001 0.000 0.283 576 H C 1.628 176.783 175.328 -0.289 0.000 1.037 576 H CA 0.374 56.199 56.048 -0.371 0.000 1.169 576 H CB 0.348 29.748 29.762 -0.604 0.000 1.375 576 H HN 0.328 nan 8.280 nan 0.000 0.582 577 R N 0.335 120.717 120.500 -0.197 0.000 1.855 577 R HA 0.116 4.455 4.340 -0.001 0.000 0.168 577 R C 0.163 176.175 176.300 -0.480 0.000 1.791 577 R CA 0.281 56.104 56.100 -0.462 0.000 1.428 577 R CB 0.294 30.319 30.300 -0.459 0.000 1.037 577 R HN 0.013 nan 8.270 nan 0.000 0.483 578 S N -1.436 114.059 115.700 -0.341 0.000 2.549 578 S HA 0.259 4.729 4.470 -0.001 0.000 0.280 578 S C 0.340 174.893 174.600 -0.077 0.000 1.109 578 S CA -0.242 57.850 58.200 -0.180 0.000 0.905 578 S CB 1.693 64.838 63.200 -0.093 0.000 1.081 578 S HN 0.517 nan 8.310 nan 0.000 0.477 579 S N 2.217 117.885 115.700 -0.053 0.000 2.474 579 S HA 0.017 4.487 4.470 -0.001 0.000 0.235 579 S C 0.984 175.604 174.600 0.033 0.000 0.997 579 S CA 0.639 58.830 58.200 -0.016 0.000 0.949 579 S CB -0.334 62.848 63.200 -0.029 0.000 0.766 579 S HN 0.635 nan 8.310 nan 0.000 0.517 580 S N 1.444 117.193 115.700 0.081 0.000 2.537 580 S HA 0.081 4.551 4.470 -0.001 0.000 0.286 580 S C 0.824 175.429 174.600 0.010 0.000 1.299 580 S CA -0.485 57.770 58.200 0.091 0.000 1.067 580 S CB 0.218 63.555 63.200 0.228 0.000 0.864 580 S HN 0.327 nan 8.310 nan 0.000 0.494 581 D N 3.661 124.050 120.400 -0.019 0.000 2.116 581 D HA -0.101 4.538 4.640 -0.001 0.000 0.193 581 D C 1.849 178.062 176.300 -0.145 0.000 0.998 581 D CA 1.755 55.723 54.000 -0.052 0.000 0.836 581 D CB -0.505 40.279 40.800 -0.027 0.000 0.951 581 D HN 0.692 nan 8.370 nan 0.000 0.449 582 T N 0.023 114.402 114.554 -0.291 0.000 2.759 582 T HA -0.165 4.184 4.350 -0.001 0.000 0.269 582 T C 1.023 175.287 174.700 -0.727 0.000 1.042 582 T CA 0.871 62.573 62.100 -0.664 0.000 1.140 582 T CB -0.193 67.999 68.868 -1.127 0.000 0.864 582 T HN 0.099 nan 8.240 nan 0.000 0.455 583 F N 0.476 120.374 119.950 -0.086 0.000 2.855 583 F HA 0.514 5.041 4.527 -0.001 0.000 0.317 583 F C 1.695 177.402 175.800 -0.155 0.000 1.169 583 F CA -1.415 56.518 58.000 -0.112 0.000 1.299 583 F CB -0.212 38.726 39.000 -0.103 0.000 0.962 583 F HN 0.083 nan 8.300 nan 0.000 0.506 584 G N 0.158 108.952 108.800 -0.009 0.000 2.623 584 G HA2 -0.030 3.930 3.960 -0.001 0.000 0.214 584 G HA3 -0.030 3.930 3.960 -0.001 0.000 0.214 584 G C 0.494 175.378 174.900 -0.028 0.000 1.138 584 G CA 0.372 45.457 45.100 -0.026 0.000 0.794 584 G HN 0.474 nan 8.290 nan 0.000 0.535 585 N N -1.512 117.182 118.700 -0.010 0.000 3.102 585 N HA 0.481 5.221 4.740 -0.001 0.000 0.299 585 N C -0.223 175.311 175.510 0.040 0.000 1.482 585 N CA -0.955 52.098 53.050 0.005 0.000 0.785 585 N CB 0.692 39.186 38.487 0.012 0.000 1.680 585 N HN -0.124 nan 8.380 nan 0.000 0.594 586 L N -0.725 120.543 121.223 0.075 0.000 3.062 586 L HA 0.413 4.753 4.340 -0.001 0.000 0.255 586 L C 1.668 178.672 176.870 0.223 0.000 1.274 586 L CA -0.370 54.569 54.840 0.164 0.000 1.047 586 L CB -0.053 42.127 42.059 0.202 0.000 1.402 586 L HN 0.661 nan 8.230 nan 0.000 0.550 587 K N 1.319 121.806 120.400 0.144 0.000 2.002 587 K HA -0.110 4.210 4.320 -0.001 0.000 0.209 587 K C 1.958 178.638 176.600 0.134 0.000 1.048 587 K CA 1.501 57.858 56.287 0.116 0.000 0.930 587 K CB 0.038 32.578 32.500 0.067 0.000 0.714 587 K HN 0.341 nan 8.250 nan 0.000 0.438 588 L N 0.179 121.485 121.223 0.139 0.000 2.042 588 L HA -0.201 4.139 4.340 -0.001 0.000 0.210 588 L C 2.458 179.442 176.870 0.191 0.000 1.076 588 L CA 1.275 56.200 54.840 0.141 0.000 0.749 588 L CB -0.494 41.613 42.059 0.080 0.000 0.893 588 L HN 0.230 nan 8.230 nan 0.000 0.432 589 F N 0.792 120.814 119.950 0.120 0.000 2.084 589 F HA -0.081 4.445 4.527 -0.001 0.000 0.296 589 F C 2.312 178.129 175.800 0.028 0.000 1.111 589 F CA 1.585 59.634 58.000 0.081 0.000 1.224 589 F CB -0.727 38.377 39.000 0.172 0.000 0.991 589 F HN -0.034 nan 8.300 nan 0.000 0.471 590 G N -0.043 108.903 108.800 0.245 0.000 2.440 590 G HA2 -0.302 3.658 3.960 -0.001 0.000 0.218 590 G HA3 -0.302 3.658 3.960 -0.001 0.000 0.218 590 G C 1.332 176.228 174.900 -0.007 0.000 1.154 590 G CA 1.209 46.418 45.100 0.181 0.000 0.767 590 G HN 0.361 nan 8.290 nan 0.000 0.552 591 D N 0.975 121.363 120.400 -0.020 0.000 2.117 591 D HA -0.038 4.601 4.640 -0.001 0.000 0.197 591 D C 2.811 178.983 176.300 -0.212 0.000 0.987 591 D CA 1.325 55.275 54.000 -0.083 0.000 0.829 591 D CB -0.513 40.274 40.800 -0.023 0.000 0.961 591 D HN 0.325 nan 8.370 nan 0.000 0.460 592 A N 0.428 123.100 122.820 -0.247 0.000 1.930 592 A HA -0.096 4.223 4.320 -0.001 0.000 0.217 592 A C 2.160 179.535 177.584 -0.349 0.000 1.175 592 A CA 0.762 52.598 52.037 -0.334 0.000 0.627 592 A CB -0.644 17.887 19.000 -0.782 0.000 0.815 592 A HN 0.191 nan 8.150 nan 0.000 0.443 593 L N -0.275 120.689 121.223 -0.432 0.000 2.017 593 L HA -0.120 4.219 4.340 -0.001 0.000 0.208 593 L C 2.616 179.445 176.870 -0.067 0.000 1.073 593 L CA 2.655 57.328 54.840 -0.279 0.000 0.745 593 L CB -0.887 40.884 42.059 -0.479 0.000 0.894 593 L HN 0.385 nan 8.230 nan 0.000 0.432 594 T N -0.609 113.896 114.554 -0.082 0.000 2.674 594 T HA -0.180 4.169 4.350 -0.001 0.000 0.265 594 T C 1.950 176.586 174.700 -0.106 0.000 1.039 594 T CA 1.301 63.377 62.100 -0.039 0.000 1.150 594 T CB -0.155 68.693 68.868 -0.033 0.000 0.864 594 T HN 0.193 nan 8.240 nan 0.000 0.427 595 K N 0.829 121.078 120.400 -0.253 0.000 2.063 595 K HA -0.048 4.272 4.320 -0.001 0.000 0.208 595 K C 2.452 178.943 176.600 -0.181 0.000 1.048 595 K CA 1.382 57.444 56.287 -0.375 0.000 0.928 595 K CB -0.136 31.749 32.500 -1.026 0.000 0.713 595 K HN 0.351 nan 8.250 nan 0.000 0.442 596 R N -1.195 119.240 120.500 -0.109 0.000 2.121 596 R HA 0.060 4.399 4.340 -0.001 0.000 0.206 596 R C 2.320 178.464 176.300 -0.260 0.000 1.094 596 R CA 0.430 56.473 56.100 -0.096 0.000 1.055 596 R CB -0.246 30.031 30.300 -0.038 0.000 0.964 596 R HN 0.173 nan 8.270 nan 0.000 0.473 597 Y N 0.936 121.229 120.300 -0.013 0.000 2.403 597 Y HA 0.058 4.607 4.550 -0.001 0.000 0.291 597 Y C 1.243 177.154 175.900 0.019 0.000 1.143 597 Y CA 0.790 58.890 58.100 0.001 0.000 1.257 597 Y CB -0.162 38.292 38.460 -0.009 0.000 0.984 597 Y HN 0.252 nan 8.280 nan 0.000 0.550 598 G N -0.118 108.741 108.800 0.098 0.000 2.712 598 G HA2 0.120 4.079 3.960 -0.001 0.000 0.686 598 G HA3 0.120 4.079 3.960 -0.001 0.000 0.686 598 G C -0.332 174.625 174.900 0.096 0.000 1.181 598 G CA -1.156 43.992 45.100 0.079 0.000 0.762 598 G HN 0.587 nan 8.290 nan 0.000 0.641 599 A N 1.536 124.402 122.820 0.077 0.000 2.587 599 A HA 0.526 4.845 4.320 -0.001 0.000 0.233 599 A C 1.200 178.868 177.584 0.141 0.000 1.049 599 A CA 1.292 53.393 52.037 0.107 0.000 0.754 599 A CB 0.108 19.161 19.000 0.089 0.000 0.977 599 A HN 2.003 nan 8.150 nan 0.000 0.509 600 S N 1.305 117.134 115.700 0.214 0.000 2.505 600 S HA 0.380 4.849 4.470 -0.001 0.000 0.276 600 S C 1.308 176.007 174.600 0.166 0.000 1.274 600 S CA 0.028 58.356 58.200 0.214 0.000 1.053 600 S CB 1.382 64.829 63.200 0.411 0.000 0.919 600 S HN 1.083 nan 8.310 nan 0.000 0.490 601 A N 3.557 126.372 122.820 -0.009 0.000 2.132 601 A HA 0.214 4.533 4.320 -0.001 0.000 0.213 601 A C 0.629 178.039 177.584 -0.291 0.000 1.154 601 A CA 0.531 52.539 52.037 -0.049 0.000 0.753 601 A CB -0.370 18.593 19.000 -0.061 0.000 0.826 601 A HN 0.910 nan 8.150 nan 0.000 0.469 602 N N -4.029 114.219 118.700 -0.753 0.000 3.356 602 N HA 0.198 4.938 4.740 -0.001 0.000 0.246 602 N C -0.143 174.434 175.510 -1.554 0.000 1.480 602 N CA -0.352 51.871 53.050 -1.378 0.000 0.877 602 N CB 0.018 38.149 38.487 -0.593 0.000 1.431 602 N HN -0.081 nan 8.380 nan 0.000 0.500 603 L N 0.352 120.669 121.223 -1.510 0.000 2.012 603 L HA 0.005 4.344 4.340 -0.001 0.000 0.210 603 L C 1.253 177.936 176.870 -0.313 0.000 1.073 603 L CA 2.079 56.419 54.840 -0.833 0.000 0.748 603 L CB -1.138 40.701 42.059 -0.366 0.000 0.891 603 L HN 0.637 nan 8.230 nan 0.000 0.431 604 N N -0.110 118.419 118.700 -0.285 0.000 2.104 604 N HA -0.220 4.520 4.740 -0.001 0.000 0.190 604 N C 1.644 177.050 175.510 -0.173 0.000 1.024 604 N CA 1.589 54.531 53.050 -0.180 0.000 0.853 604 N CB -0.583 37.794 38.487 -0.184 0.000 1.008 604 N HN 0.471 nan 8.380 nan 0.000 0.424 605 D N -0.009 120.259 120.400 -0.220 0.000 2.097 605 D HA -0.135 4.504 4.640 -0.001 0.000 0.195 605 D C 1.784 178.056 176.300 -0.047 0.000 0.989 605 D CA 0.639 54.541 54.000 -0.164 0.000 0.827 605 D CB -0.314 40.388 40.800 -0.163 0.000 0.966 605 D HN 0.178 nan 8.370 nan 0.000 0.456 606 F N 0.485 120.345 119.950 -0.151 0.000 2.095 606 F HA -0.219 4.308 4.527 -0.001 0.000 0.298 606 F C 2.186 178.004 175.800 0.029 0.000 1.104 606 F CA 1.355 59.355 58.000 -0.000 0.000 1.232 606 F CB -0.462 38.597 39.000 0.098 0.000 0.987 606 F HN -0.113 nan 8.300 nan 0.000 0.475 607 V N 2.553 122.513 119.914 0.076 0.000 2.261 607 V HA -0.341 3.778 4.120 -0.001 0.000 0.246 607 V C 2.702 178.759 176.094 -0.062 0.000 1.047 607 V CA 2.369 64.674 62.300 0.008 0.000 1.015 607 V CB -1.056 30.808 31.823 0.068 0.000 0.642 607 V HN 0.450 nan 8.190 nan 0.000 0.446 608 R N 0.988 121.452 120.500 -0.060 0.000 2.105 608 R HA -0.229 4.111 4.340 -0.001 0.000 0.239 608 R C 2.135 178.453 176.300 0.030 0.000 1.135 608 R CA 2.035 58.126 56.100 -0.014 0.000 0.967 608 R CB -0.530 29.692 30.300 -0.130 0.000 0.861 608 R HN 0.428 nan 8.270 nan 0.000 0.442 609 K N 0.628 120.992 120.400 -0.061 0.000 2.062 609 K HA 0.036 4.356 4.320 -0.001 0.000 0.205 609 K C 2.370 178.693 176.600 -0.463 0.000 1.051 609 K CA 1.155 57.274 56.287 -0.281 0.000 0.941 609 K CB -0.176 32.196 32.500 -0.214 0.000 0.719 609 K HN 0.289 nan 8.250 nan 0.000 0.440 610 A N 1.636 124.256 122.820 -0.334 0.000 1.917 610 A HA -0.249 4.071 4.320 -0.001 0.000 0.219 610 A C 2.107 179.684 177.584 -0.012 0.000 1.182 610 A CA 1.561 53.539 52.037 -0.097 0.000 0.633 610 A CB -0.436 18.493 19.000 -0.118 0.000 0.819 610 A HN 0.208 nan 8.150 nan 0.000 0.448 611 Q N -0.154 119.612 119.800 -0.058 0.000 2.084 611 Q HA -0.073 4.267 4.340 -0.001 0.000 0.202 611 Q C 2.223 178.196 176.000 -0.045 0.000 0.978 611 Q CA 1.332 57.145 55.803 0.017 0.000 0.844 611 Q CB -0.671 28.105 28.738 0.064 0.000 0.898 611 Q HN 0.744 nan 8.270 nan 0.000 0.426 612 L N 0.155 121.181 121.223 -0.329 0.000 2.046 612 L HA -0.174 4.165 4.340 -0.001 0.000 0.208 612 L C 2.587 179.571 176.870 0.190 0.000 1.077 612 L CA 1.416 56.068 54.840 -0.313 0.000 0.747 612 L CB -0.691 40.916 42.059 -0.753 0.000 0.896 612 L HN 0.199 nan 8.230 nan 0.000 0.432 613 S N -0.536 115.126 115.700 -0.062 0.000 2.382 613 S HA -0.232 4.237 4.470 -0.001 0.000 0.228 613 S C 1.954 176.814 174.600 0.433 0.000 1.027 613 S CA 1.504 59.863 58.200 0.264 0.000 0.991 613 S CB -0.031 63.212 63.200 0.072 0.000 0.823 613 S HN 0.459 nan 8.310 nan 0.000 0.469 614 Q N -1.040 118.982 119.800 0.369 0.000 2.083 614 Q HA -0.056 4.283 4.340 -0.001 0.000 0.198 614 Q C 1.914 178.131 176.000 0.363 0.000 0.969 614 Q CA 1.681 57.705 55.803 0.368 0.000 0.838 614 Q CB -0.388 28.518 28.738 0.279 0.000 0.900 614 Q HN 0.779 nan 8.270 nan 0.000 0.436 615 Y N 1.751 122.214 120.300 0.271 0.000 2.128 615 Y HA -0.313 4.236 4.550 -0.001 0.000 0.284 615 Y C 2.421 178.483 175.900 0.271 0.000 1.154 615 Y CA 1.938 60.220 58.100 0.304 0.000 1.149 615 Y CB 0.101 38.830 38.460 0.448 0.000 0.976 615 Y HN 0.139 nan 8.280 nan 0.000 0.505 616 E N -0.074 120.508 120.200 0.637 0.000 2.058 616 E HA -0.295 4.055 4.350 -0.001 0.000 0.194 616 E C 2.068 178.840 176.600 0.286 0.000 0.997 616 E CA 1.437 58.048 56.400 0.351 0.000 0.801 616 E CB -0.364 29.549 29.700 0.356 0.000 0.746 616 E HN 0.516 nan 8.360 nan 0.000 0.450 617 N N 0.059 118.960 118.700 0.334 0.000 2.109 617 N HA -0.125 4.614 4.740 -0.001 0.000 0.188 617 N C 2.038 177.664 175.510 0.192 0.000 1.034 617 N CA 1.368 54.609 53.050 0.317 0.000 0.846 617 N CB 0.016 38.738 38.487 0.392 0.000 1.010 617 N HN 0.062 nan 8.380 nan 0.000 0.425 618 V N 1.948 121.947 119.914 0.142 0.000 2.343 618 V HA -0.194 3.926 4.120 -0.001 0.000 0.247 618 V C 2.668 178.776 176.094 0.023 0.000 1.051 618 V CA 1.546 63.854 62.300 0.013 0.000 1.036 618 V CB -0.586 31.183 31.823 -0.090 0.000 0.654 618 V HN 0.346 nan 8.190 nan 0.000 0.451 619 R N 0.356 120.861 120.500 0.009 0.000 2.080 619 R HA -0.207 4.133 4.340 -0.001 0.000 0.236 619 R C 2.332 178.729 176.300 0.163 0.000 1.137 619 R CA 1.927 58.042 56.100 0.026 0.000 0.943 619 R CB -0.525 29.754 30.300 -0.035 0.000 0.846 619 R HN 0.474 nan 8.270 nan 0.000 0.431 620 A N 0.800 123.762 122.820 0.237 0.000 1.933 620 A HA -0.231 4.088 4.320 -0.001 0.000 0.218 620 A C 2.041 179.639 177.584 0.023 0.000 1.175 620 A CA 1.726 53.975 52.037 0.354 0.000 0.628 620 A CB -0.622 18.671 19.000 0.489 0.000 0.814 620 A HN 0.649 nan 8.150 nan 0.000 0.444 621 E N -1.119 118.849 120.200 -0.386 0.000 2.038 621 E HA -0.210 4.140 4.350 -0.001 0.000 0.195 621 E C 1.692 177.955 176.600 -0.563 0.000 1.000 621 E CA 1.545 57.320 56.400 -1.040 0.000 0.803 621 E CB -0.261 28.529 29.700 -1.516 0.000 0.750 621 E HN 0.594 nan 8.360 nan 0.000 0.448 622 F N 1.261 121.022 119.950 -0.315 0.000 2.113 622 F HA -0.096 4.431 4.527 -0.001 0.000 0.297 622 F C 2.425 178.183 175.800 -0.071 0.000 1.103 622 F CA 1.459 59.328 58.000 -0.220 0.000 1.248 622 F CB -0.224 38.631 39.000 -0.241 0.000 0.999 622 F HN 0.073 nan 8.300 nan 0.000 0.475 623 E N -0.069 120.235 120.200 0.174 0.000 2.077 623 E HA -0.200 4.150 4.350 -0.001 0.000 0.193 623 E C 2.369 179.055 176.600 0.143 0.000 0.989 623 E CA 1.603 58.139 56.400 0.227 0.000 0.800 623 E CB -0.274 29.645 29.700 0.364 0.000 0.746 623 E HN 0.412 nan 8.360 nan 0.000 0.452 624 S N 0.502 116.142 115.700 -0.101 0.000 2.370 624 S HA -0.237 4.232 4.470 -0.001 0.000 0.226 624 S C 1.769 176.265 174.600 -0.173 0.000 1.033 624 S CA 1.523 59.424 58.200 -0.499 0.000 1.011 624 S CB -0.557 62.028 63.200 -1.025 0.000 0.852 624 S HN 0.320 nan 8.310 nan 0.000 0.457 625 H N 1.229 120.207 119.070 -0.153 0.000 2.389 625 H HA 0.210 4.765 4.556 -0.001 0.000 0.299 625 H C 2.569 177.903 175.328 0.010 0.000 1.081 625 H CA 1.437 57.431 56.048 -0.090 0.000 1.345 625 H CB -0.421 29.225 29.762 -0.194 0.000 1.393 625 H HN 0.385 nan 8.280 nan 0.000 0.520 626 S N -0.124 115.666 115.700 0.151 0.000 2.368 626 S HA -0.150 4.319 4.470 -0.001 0.000 0.225 626 S C 2.111 176.826 174.600 0.193 0.000 1.030 626 S CA 1.040 59.329 58.200 0.149 0.000 0.999 626 S CB -0.024 63.259 63.200 0.140 0.000 0.844 626 S HN 0.379 nan 8.310 nan 0.000 0.459 627 R N 1.358 121.961 120.500 0.173 0.000 2.073 627 R HA -0.022 4.317 4.340 -0.001 0.000 0.234 627 R C 1.007 177.397 176.300 0.151 0.000 1.134 627 R CA 1.502 57.705 56.100 0.172 0.000 0.952 627 R CB -0.230 30.198 30.300 0.212 0.000 0.850 627 R HN 0.251 nan 8.270 nan 0.000 0.433 628 N N -0.064 118.711 118.700 0.126 0.000 2.461 628 N HA -0.104 4.636 4.740 -0.001 0.000 0.188 628 N C 0.889 176.482 175.510 0.139 0.000 1.134 628 N CA 0.259 53.370 53.050 0.102 0.000 0.878 628 N CB -0.182 38.335 38.487 0.050 0.000 0.972 628 N HN 0.305 nan 8.380 nan 0.000 0.456 629 Y N 1.896 122.226 120.300 0.050 0.000 2.207 629 Y HA -0.184 4.365 4.550 -0.001 0.000 0.287 629 Y C 1.766 177.703 175.900 0.062 0.000 1.156 629 Y CA 1.606 59.742 58.100 0.060 0.000 1.182 629 Y CB -0.548 37.951 38.460 0.065 0.000 0.979 629 Y HN 0.092 nan 8.280 nan 0.000 0.521 630 T N -2.159 112.330 114.554 -0.108 0.000 3.186 630 T HA 0.163 4.512 4.350 -0.001 0.000 0.257 630 T C -0.077 174.573 174.700 -0.083 0.000 1.029 630 T CA -0.318 61.666 62.100 -0.194 0.000 0.916 630 T CB -0.454 68.348 68.868 -0.110 0.000 1.041 630 T HN 0.006 nan 8.240 nan 0.000 0.562 631 D N 1.994 122.373 120.400 -0.035 0.000 2.443 631 D HA 0.202 4.841 4.640 -0.001 0.000 0.239 631 D C 1.041 177.322 176.300 -0.032 0.000 1.136 631 D CA -0.048 53.943 54.000 -0.015 0.000 0.879 631 D CB 1.393 42.200 40.800 0.013 0.000 1.195 631 D HN 0.108 nan 8.370 nan 0.000 0.443 632 S N 0.244 115.928 115.700 -0.027 0.000 2.383 632 S HA -0.054 4.416 4.470 -0.001 0.000 0.227 632 S C 0.882 175.470 174.600 -0.021 0.000 1.026 632 S CA 0.858 59.041 58.200 -0.028 0.000 0.981 632 S CB 0.216 63.401 63.200 -0.025 0.000 0.818 632 S HN 0.462 nan 8.310 nan 0.000 0.472 633 T N 2.505 117.048 114.554 -0.019 0.000 2.841 633 T HA 0.338 4.688 4.350 -0.001 0.000 0.283 633 T C -0.364 174.332 174.700 -0.006 0.000 1.000 633 T CA -0.701 61.387 62.100 -0.020 0.000 0.977 633 T CB 1.049 69.892 68.868 -0.042 0.000 0.979 633 T HN 0.130 nan 8.240 nan 0.000 0.446 634 N N 2.157 120.867 118.700 0.016 0.000 2.705 634 N HA -0.110 4.629 4.740 -0.001 0.000 0.255 634 N C -2.534 173.051 175.510 0.125 0.000 1.008 634 N CA 0.330 53.422 53.050 0.069 0.000 0.742 634 N CB -0.795 37.681 38.487 -0.018 0.000 0.906 634 N HN 0.448 nan 8.380 nan 0.000 0.541 635 P HA 0.060 nan 4.420 nan 0.000 0.272 635 P C -0.063 177.346 177.300 0.182 0.000 1.230 635 P CA -0.174 62.994 63.100 0.114 0.000 0.788 635 P CB 0.555 32.288 31.700 0.056 0.000 0.949 636 S N -0.288 115.513 115.700 0.168 0.000 2.531 636 S HA 0.230 4.699 4.470 -0.001 0.000 0.279 636 S C 1.065 175.821 174.600 0.261 0.000 1.305 636 S CA -0.031 58.261 58.200 0.152 0.000 1.058 636 S CB -0.298 62.932 63.200 0.050 0.000 0.899 636 S HN 0.661 nan 8.310 nan 0.000 0.493 637 T N -1.101 113.576 114.554 0.206 0.000 3.004 637 T HA 0.537 4.886 4.350 -0.001 0.000 0.266 637 T C 0.589 175.279 174.700 -0.015 0.000 0.986 637 T CA 0.119 62.385 62.100 0.277 0.000 0.902 637 T CB 0.175 69.273 68.868 0.383 0.000 1.118 637 T HN 1.145 nan 8.240 nan 0.000 0.522 638 G N 0.866 109.400 108.800 -0.443 0.000 2.667 638 G HA2 0.553 4.512 3.960 -0.001 0.000 0.294 638 G HA3 0.553 4.512 3.960 -0.001 0.000 0.294 638 G C -2.597 171.760 174.900 -0.905 0.000 1.467 638 G CA -0.796 43.608 45.100 -1.160 0.000 0.852 638 G HN 0.401 nan 8.290 nan 0.000 0.521 639 L N 1.597 122.379 121.223 -0.734 0.000 2.476 639 L HA 0.742 5.081 4.340 -0.001 0.000 0.269 639 L C -1.395 175.231 176.870 -0.406 0.000 0.965 639 L CA -0.890 53.550 54.840 -0.666 0.000 0.845 639 L CB 1.709 43.205 42.059 -0.938 0.000 1.259 639 L HN 0.416 nan 8.230 nan 0.000 0.403 640 I N 5.499 125.900 120.570 -0.282 0.000 2.390 640 I HA 0.192 4.362 4.170 -0.001 0.000 0.283 640 I C -0.589 175.479 176.117 -0.083 0.000 1.016 640 I CA -0.559 60.707 61.300 -0.057 0.000 1.151 640 I CB 1.028 39.087 38.000 0.099 0.000 1.293 640 I HN 0.652 nan 8.210 nan 0.000 0.458 641 Y N 6.176 126.367 120.300 -0.180 0.000 2.610 641 Y HA -0.035 4.515 4.550 -0.001 0.000 0.332 641 Y C -0.124 175.761 175.900 -0.025 0.000 1.201 641 Y CA 0.279 58.263 58.100 -0.194 0.000 1.465 641 Y CB 0.667 39.068 38.460 -0.099 0.000 1.283 641 Y HN 0.551 nan 8.280 nan 0.000 0.563 642 W N 10.541 131.201 121.300 -1.067 0.000 2.295 642 W HA 0.403 5.063 4.660 -0.001 0.000 0.333 642 W C -1.488 174.475 176.519 -0.928 0.000 0.990 642 W CA -0.672 56.136 57.345 -0.895 0.000 1.453 642 W CB 0.529 29.461 29.460 -0.881 0.000 1.263 642 W HN 0.610 nan 8.180 nan 0.000 0.380 643 M N 3.368 122.606 119.600 -0.604 0.000 2.691 643 M HA 0.147 4.626 4.480 -0.001 0.000 0.293 643 M C 0.886 177.081 176.300 -0.175 0.000 1.259 643 M CA -0.850 54.049 55.300 -0.667 0.000 0.827 643 M CB 2.313 34.213 32.600 -1.167 0.000 1.753 643 M HN 0.229 nan 8.290 nan 0.000 0.465 644 L N 1.981 123.073 121.223 -0.218 0.000 2.043 644 L HA -0.132 4.208 4.340 -0.001 0.000 0.212 644 L C 0.533 177.077 176.870 -0.543 0.000 1.075 644 L CA 1.908 56.623 54.840 -0.208 0.000 0.752 644 L CB -0.162 41.834 42.059 -0.105 0.000 0.891 644 L HN 0.897 nan 8.230 nan 0.000 0.432 645 N N -2.773 115.562 118.700 -0.607 0.000 3.020 645 N HA 0.204 4.944 4.740 -0.001 0.000 0.248 645 N C -1.369 173.845 175.510 -0.493 0.000 1.480 645 N CA -0.300 52.315 53.050 -0.725 0.000 0.874 645 N CB 1.252 39.118 38.487 -1.035 0.000 1.433 645 N HN -0.085 nan 8.380 nan 0.000 0.530 646 S N -1.051 114.436 115.700 -0.354 0.000 2.568 646 S HA 0.635 5.104 4.470 -0.001 0.000 0.302 646 S C -2.032 172.463 174.600 -0.176 0.000 1.082 646 S CA -1.721 56.353 58.200 -0.210 0.000 1.009 646 S CB 1.145 64.285 63.200 -0.098 0.000 1.069 646 S HN 0.453 nan 8.310 nan 0.000 0.500 647 P HA 0.114 nan 4.420 nan 0.000 0.230 647 P C -0.264 176.941 177.300 -0.159 0.000 1.158 647 P CA 0.762 63.712 63.100 -0.249 0.000 0.769 647 P CB 0.040 31.365 31.700 -0.624 0.000 0.807 648 W N -1.786 119.227 121.300 -0.479 0.000 2.894 648 W HA 0.378 5.037 4.660 -0.001 0.000 0.424 648 W C -1.230 174.787 176.519 -0.838 0.000 1.072 648 W CA -0.718 56.146 57.345 -0.801 0.000 1.194 648 W CB -0.695 28.413 29.460 -0.588 0.000 1.471 648 W HN -0.344 nan 8.180 nan 0.000 0.608 649 T N 1.287 115.049 114.554 -1.320 0.000 2.817 649 T HA 0.439 4.789 4.350 -0.001 0.000 0.295 649 T C -0.156 173.958 174.700 -0.977 0.000 0.958 649 T CA 0.206 61.691 62.100 -1.026 0.000 1.157 649 T CB 0.908 69.254 68.868 -0.871 0.000 0.898 649 T HN 0.719 nan 8.240 nan 0.000 0.536 650 S N 2.012 117.381 115.700 -0.551 0.000 2.627 650 S HA 0.589 5.059 4.470 -0.001 0.000 0.283 650 S C 0.318 174.790 174.600 -0.213 0.000 1.127 650 S CA -1.025 56.970 58.200 -0.342 0.000 0.863 650 S CB 1.239 64.379 63.200 -0.100 0.000 1.121 650 S HN 0.732 nan 8.310 nan 0.000 0.479 651 L N 2.271 123.393 121.223 -0.169 0.000 2.693 651 L HA 0.400 4.740 4.340 -0.001 0.000 0.235 651 L C 0.495 177.315 176.870 -0.083 0.000 1.127 651 L CA -0.115 54.643 54.840 -0.137 0.000 0.914 651 L CB -0.209 41.761 42.059 -0.147 0.000 1.193 651 L HN 0.783 nan 8.230 nan 0.000 0.502 652 H N -6.034 112.904 119.070 -0.220 0.000 2.977 652 H HA 0.219 4.774 4.556 -0.001 0.000 0.350 652 H C -1.097 174.180 175.328 -0.085 0.000 1.238 652 H CA -1.191 54.707 56.048 -0.250 0.000 1.124 652 H CB 0.848 30.261 29.762 -0.580 0.000 1.866 652 H HN -0.103 nan 8.280 nan 0.000 0.550 653 W N 1.523 122.684 121.300 -0.232 0.000 6.199 653 W HA -0.192 4.467 4.660 -0.001 0.000 0.416 653 W C -0.923 175.413 176.519 -0.306 0.000 1.636 653 W CA 1.177 58.261 57.345 -0.436 0.000 1.040 653 W CB -2.294 26.631 29.460 -0.892 0.000 2.854 653 W HN 0.902 nan 8.180 nan 0.000 1.467 654 Q N -2.199 117.669 119.800 0.113 0.000 2.435 654 Q HA 0.695 5.034 4.340 -0.001 0.000 0.282 654 Q C -0.150 175.879 176.000 0.047 0.000 1.020 654 Q CA -1.110 54.686 55.803 -0.012 0.000 0.820 654 Q CB 1.291 29.966 28.738 -0.105 0.000 1.436 654 Q HN 0.119 nan 8.270 nan 0.000 0.395 655 L N 0.111 121.285 121.223 -0.082 0.000 2.347 655 L HA 0.321 4.661 4.340 -0.001 0.000 0.196 655 L C 0.538 177.531 176.870 0.206 0.000 1.072 655 L CA 0.346 55.163 54.840 -0.039 0.000 0.817 655 L CB 0.213 42.182 42.059 -0.151 0.000 1.029 655 L HN 0.670 nan 8.230 nan 0.000 0.478 656 F N 0.501 120.591 119.950 0.232 0.000 2.450 656 F HA 0.544 5.070 4.527 -0.001 0.000 0.332 656 F C -0.087 175.760 175.800 0.079 0.000 1.093 656 F CA -1.909 56.221 58.000 0.216 0.000 1.003 656 F CB 0.153 39.404 39.000 0.419 0.000 1.151 656 F HN -0.022 nan 8.300 nan 0.000 0.474 657 D N 1.927 122.457 120.400 0.216 0.000 2.451 657 D HA 0.401 5.040 4.640 -0.001 0.000 0.259 657 D C 1.074 177.404 176.300 0.050 0.000 1.201 657 D CA -0.329 53.692 54.000 0.035 0.000 1.028 657 D CB 0.688 41.478 40.800 -0.017 0.000 1.095 657 D HN 0.743 nan 8.370 nan 0.000 0.539 658 A N -0.807 121.889 122.820 -0.207 0.000 2.019 658 A HA -0.154 4.165 4.320 -0.001 0.000 0.219 658 A C 1.420 178.887 177.584 -0.194 0.000 1.164 658 A CA 1.000 52.868 52.037 -0.283 0.000 0.644 658 A CB -1.051 17.544 19.000 -0.674 0.000 0.805 658 A HN 0.591 nan 8.150 nan 0.000 0.449 659 Y N -0.889 119.469 120.300 0.097 0.000 2.471 659 Y HA 0.205 4.754 4.550 -0.001 0.000 0.286 659 Y C 1.120 177.059 175.900 0.066 0.000 1.188 659 Y CA 0.104 58.259 58.100 0.091 0.000 1.286 659 Y CB -0.473 38.027 38.460 0.066 0.000 1.072 659 Y HN 0.276 nan 8.280 nan 0.000 0.517 660 M N -1.294 118.432 119.600 0.211 0.000 2.899 660 M HA -0.262 4.218 4.480 -0.001 0.000 0.195 660 M C -0.538 175.896 176.300 0.224 0.000 0.603 660 M CA 0.666 56.066 55.300 0.167 0.000 0.712 660 M CB -1.824 30.706 32.600 -0.117 0.000 2.569 660 M HN 0.232 nan 8.290 nan 0.000 0.406 661 D N 1.749 122.250 120.400 0.168 0.000 2.371 661 D HA 0.438 5.077 4.640 -0.001 0.000 0.242 661 D C 0.068 176.314 176.300 -0.090 0.000 1.218 661 D CA 0.495 54.525 54.000 0.050 0.000 0.945 661 D CB 0.654 41.493 40.800 0.066 0.000 1.137 661 D HN 0.380 nan 8.370 nan 0.000 0.464 662 Q N 1.166 120.805 119.800 -0.269 0.000 2.290 662 Q HA 0.286 4.626 4.340 -0.001 0.000 0.269 662 Q C -0.430 175.223 176.000 -0.578 0.000 1.016 662 Q CA -0.926 54.497 55.803 -0.632 0.000 0.754 662 Q CB 1.635 29.761 28.738 -1.020 0.000 1.247 662 Q HN 0.449 nan 8.270 nan 0.000 0.451 663 N N 0.355 118.817 118.700 -0.397 0.000 2.938 663 N HA 0.325 5.065 4.740 -0.001 0.000 0.335 663 N C 0.949 176.375 175.510 -0.140 0.000 1.358 663 N CA -0.194 52.728 53.050 -0.212 0.000 0.812 663 N CB -0.219 38.248 38.487 -0.033 0.000 1.233 663 N HN 0.441 nan 8.380 nan 0.000 0.593 664 G N -0.750 108.155 108.800 0.174 0.000 2.432 664 G HA2 -0.112 3.847 3.960 -0.001 0.000 0.219 664 G HA3 -0.112 3.847 3.960 -0.001 0.000 0.219 664 G C 1.361 176.456 174.900 0.325 0.000 1.135 664 G CA 1.459 46.824 45.100 0.442 0.000 0.767 664 G HN 0.791 nan 8.290 nan 0.000 0.550 665 A N 0.069 122.984 122.820 0.158 0.000 1.877 665 A HA -0.027 4.292 4.320 -0.001 0.000 0.216 665 A C 2.165 179.715 177.584 -0.058 0.000 1.186 665 A CA 1.630 53.697 52.037 0.049 0.000 0.620 665 A CB -0.754 18.270 19.000 0.040 0.000 0.822 665 A HN 0.430 nan 8.150 nan 0.000 0.443 666 Y N -0.682 119.518 120.300 -0.167 0.000 2.053 666 Y HA -0.320 4.229 4.550 -0.001 0.000 0.277 666 Y C 2.310 178.111 175.900 -0.165 0.000 1.159 666 Y CA 2.412 60.380 58.100 -0.220 0.000 1.125 666 Y CB -0.458 37.812 38.460 -0.317 0.000 0.969 666 Y HN 0.400 nan 8.280 nan 0.000 0.492 667 Y N -0.373 120.035 120.300 0.179 0.000 2.224 667 Y HA -0.078 4.472 4.550 -0.001 0.000 0.289 667 Y C 2.626 178.344 175.900 -0.303 0.000 1.146 667 Y CA 0.828 58.978 58.100 0.084 0.000 1.182 667 Y CB -1.363 37.283 38.460 0.311 0.000 0.983 667 Y HN 0.204 nan 8.280 nan 0.000 0.524 668 G N -0.469 108.099 108.800 -0.387 0.000 2.404 668 G HA2 -0.180 3.779 3.960 -0.001 0.000 0.215 668 G HA3 -0.180 3.779 3.960 -0.001 0.000 0.215 668 G C 1.981 176.565 174.900 -0.526 0.000 1.174 668 G CA 1.074 45.631 45.100 -0.906 0.000 0.780 668 G HN 0.462 nan 8.290 nan 0.000 0.537 669 A N 0.802 123.351 122.820 -0.451 0.000 1.883 669 A HA -0.072 4.248 4.320 -0.001 0.000 0.217 669 A C 2.216 179.424 177.584 -0.627 0.000 1.186 669 A CA 2.251 53.912 52.037 -0.626 0.000 0.624 669 A CB -0.488 18.072 19.000 -0.733 0.000 0.822 669 A HN 0.406 nan 8.150 nan 0.000 0.444 670 K N -0.417 119.686 120.400 -0.495 0.000 2.032 670 K HA -0.242 4.077 4.320 -0.001 0.000 0.209 670 K C 2.173 178.599 176.600 -0.291 0.000 1.048 670 K CA 1.900 57.969 56.287 -0.364 0.000 0.927 670 K CB -0.133 32.256 32.500 -0.185 0.000 0.712 670 K HN 0.263 nan 8.250 nan 0.000 0.441 671 K N 0.851 121.096 120.400 -0.257 0.000 2.009 671 K HA -0.104 4.216 4.320 -0.001 0.000 0.210 671 K C 1.731 178.112 176.600 -0.364 0.000 1.049 671 K CA 1.935 58.117 56.287 -0.174 0.000 0.929 671 K CB -0.690 31.728 32.500 -0.136 0.000 0.714 671 K HN 0.239 nan 8.250 nan 0.000 0.440 672 A N 0.446 123.020 122.820 -0.410 0.000 2.015 672 A HA -0.059 4.261 4.320 -0.001 0.000 0.219 672 A C 1.376 178.576 177.584 -0.640 0.000 1.163 672 A CA 1.492 53.256 52.037 -0.456 0.000 0.646 672 A CB -0.340 18.555 19.000 -0.174 0.000 0.806 672 A HN 0.450 nan 8.150 nan 0.000 0.448 673 N N 0.538 118.911 118.700 -0.545 0.000 2.279 673 N HA 0.068 4.807 4.740 -0.001 0.000 0.226 673 N C -0.604 174.717 175.510 -0.316 0.000 1.126 673 N CA -0.014 52.782 53.050 -0.424 0.000 0.846 673 N CB 0.355 38.554 38.487 -0.480 0.000 1.050 673 N HN 0.607 nan 8.380 nan 0.000 0.502 674 E N 1.448 121.437 120.200 -0.351 0.000 2.415 674 E HA -0.018 4.331 4.350 -0.001 0.000 0.262 674 E C -1.252 175.310 176.600 -0.063 0.000 1.038 674 E CA -1.326 54.988 56.400 -0.144 0.000 0.921 674 E CB 0.895 30.586 29.700 -0.014 0.000 0.950 674 E HN 0.133 nan 8.360 nan 0.000 0.438 675 P HA -0.088 nan 4.420 nan 0.000 0.221 675 P C -0.109 177.211 177.300 0.033 0.000 1.150 675 P CA 0.933 64.027 63.100 -0.010 0.000 0.800 675 P CB 0.412 32.101 31.700 -0.019 0.000 0.787 676 L N -0.339 120.922 121.223 0.063 0.000 2.372 676 L HA 0.461 4.800 4.340 -0.001 0.000 0.273 676 L C -0.841 176.119 176.870 0.151 0.000 0.989 676 L CA -0.716 54.177 54.840 0.088 0.000 0.841 676 L CB 1.359 43.451 42.059 0.056 0.000 1.225 676 L HN -0.067 nan 8.230 nan 0.000 0.414 677 H N 3.531 122.624 119.070 0.039 0.000 2.717 677 H HA 0.676 5.231 4.556 -0.001 0.000 0.366 677 H C -1.530 173.844 175.328 0.077 0.000 1.132 677 H CA -0.550 55.531 56.048 0.055 0.000 1.180 677 H CB 1.890 31.681 29.762 0.049 0.000 1.678 677 H HN 0.542 nan 8.280 nan 0.000 0.537 678 I N 4.316 124.623 120.570 -0.439 0.000 2.530 678 I HA 0.373 4.543 4.170 -0.001 0.000 0.297 678 I C -1.373 174.465 176.117 -0.465 0.000 1.011 678 I CA -0.464 60.655 61.300 -0.301 0.000 1.107 678 I CB 1.309 39.252 38.000 -0.095 0.000 1.285 678 I HN 0.837 nan 8.210 nan 0.000 0.436 679 Q N 5.791 125.512 119.800 -0.133 0.000 2.511 679 Q HA 0.347 4.686 4.340 -0.001 0.000 0.289 679 Q C -2.083 173.948 176.000 0.053 0.000 1.021 679 Q CA -0.902 54.953 55.803 0.087 0.000 0.785 679 Q CB 2.452 31.321 28.738 0.218 0.000 1.472 679 Q HN 0.653 nan 8.270 nan 0.000 0.411 680 Y N 0.587 120.725 120.300 -0.270 0.000 2.364 680 Y HA 0.491 5.040 4.550 -0.001 0.000 0.340 680 Y C -1.130 174.452 175.900 -0.530 0.000 0.975 680 Y CA -0.537 57.200 58.100 -0.605 0.000 1.089 680 Y CB 2.333 40.016 38.460 -1.295 0.000 1.192 680 Y HN 0.722 nan 8.280 nan 0.000 0.454 681 S N 5.499 120.628 115.700 -0.950 0.000 2.416 681 S HA 0.088 4.558 4.470 -0.001 0.000 0.287 681 S C 0.422 174.329 174.600 -1.155 0.000 1.139 681 S CA -0.379 57.272 58.200 -0.915 0.000 1.058 681 S CB 0.045 62.844 63.200 -0.668 0.000 0.967 681 S HN 0.877 nan 8.310 nan 0.000 0.495 682 H N 1.972 120.542 119.070 -0.832 0.000 2.489 682 H HA -0.116 4.439 4.556 -0.001 0.000 0.293 682 H C 1.859 176.955 175.328 -0.385 0.000 1.066 682 H CA 1.735 57.551 56.048 -0.385 0.000 1.305 682 H CB 0.182 29.945 29.762 0.001 0.000 1.386 682 H HN 0.645 nan 8.280 nan 0.000 0.551 683 D N 0.162 120.257 120.400 -0.507 0.000 2.110 683 D HA -0.125 4.515 4.640 -0.001 0.000 0.202 683 D C 1.314 177.486 176.300 -0.213 0.000 0.975 683 D CA 1.336 55.196 54.000 -0.233 0.000 0.839 683 D CB -0.356 40.368 40.800 -0.126 0.000 0.996 683 D HN 0.509 nan 8.370 nan 0.000 0.464 684 N N -0.853 117.657 118.700 -0.317 0.000 2.143 684 N HA 0.086 4.826 4.740 -0.001 0.000 0.222 684 N C -0.010 175.318 175.510 -0.304 0.000 1.264 684 N CA -0.258 52.649 53.050 -0.239 0.000 0.897 684 N CB 0.211 38.592 38.487 -0.177 0.000 1.092 684 N HN 0.109 nan 8.380 nan 0.000 0.516 685 R N -0.404 119.780 120.500 -0.525 0.000 3.936 685 R HA -0.139 4.200 4.340 -0.001 0.000 0.366 685 R C -0.721 175.265 176.300 -0.523 0.000 1.158 685 R CA 0.938 56.637 56.100 -0.668 0.000 0.969 685 R CB -2.829 27.330 30.300 -0.236 0.000 1.504 685 R HN 0.562 nan 8.270 nan 0.000 0.538 686 S N -0.300 115.131 115.700 -0.448 0.000 2.548 686 S HA 0.477 4.946 4.470 -0.001 0.000 0.277 686 S C 0.557 175.000 174.600 -0.262 0.000 1.315 686 S CA -0.841 57.202 58.200 -0.262 0.000 1.050 686 S CB 2.128 65.224 63.200 -0.174 0.000 0.918 686 S HN 0.112 nan 8.310 nan 0.000 0.497 687 V N 4.019 123.862 119.914 -0.118 0.000 2.406 687 V HA 0.432 4.552 4.120 -0.001 0.000 0.272 687 V C -0.132 175.945 176.094 -0.029 0.000 1.043 687 V CA -0.516 61.755 62.300 -0.048 0.000 0.915 687 V CB 0.890 32.729 31.823 0.026 0.000 0.988 687 V HN 0.833 nan 8.190 nan 0.000 0.466 688 V N 5.596 125.501 119.914 -0.015 0.000 2.656 688 V HA 0.500 4.619 4.120 -0.001 0.000 0.307 688 V C -0.277 175.833 176.094 0.027 0.000 1.051 688 V CA -0.672 61.636 62.300 0.014 0.000 0.893 688 V CB 2.349 34.194 31.823 0.037 0.000 0.999 688 V HN 0.577 nan 8.190 nan 0.000 0.426 689 V N 5.451 125.387 119.914 0.036 0.000 2.435 689 V HA 0.524 4.644 4.120 -0.001 0.000 0.290 689 V C -0.312 175.830 176.094 0.080 0.000 1.030 689 V CA -0.480 61.847 62.300 0.045 0.000 0.881 689 V CB 1.658 33.501 31.823 0.034 0.000 0.983 689 V HN 0.571 nan 8.190 nan 0.000 0.445 690 I N 4.025 124.664 120.570 0.115 0.000 2.433 690 I HA 0.413 4.582 4.170 -0.001 0.000 0.292 690 I C -0.358 175.829 176.117 0.116 0.000 1.001 690 I CA -0.522 60.859 61.300 0.135 0.000 1.119 690 I CB 1.823 39.931 38.000 0.181 0.000 1.289 690 I HN 0.614 nan 8.210 nan 0.000 0.438 691 N N 5.671 124.426 118.700 0.093 0.000 2.511 691 N HA 0.200 4.939 4.740 -0.001 0.000 0.249 691 N C 0.514 176.061 175.510 0.062 0.000 0.971 691 N CA -0.282 52.809 53.050 0.069 0.000 0.938 691 N CB 1.207 39.726 38.487 0.055 0.000 1.131 691 N HN 0.328 nan 8.380 nan 0.000 0.505 692 Q N 0.577 120.401 119.800 0.041 0.000 2.432 692 Q HA 0.012 4.351 4.340 -0.001 0.000 0.205 692 Q C 0.543 176.545 176.000 0.004 0.000 0.945 692 Q CA 0.411 56.224 55.803 0.016 0.000 0.924 692 Q CB -0.337 28.391 28.738 -0.016 0.000 1.016 692 Q HN 0.794 nan 8.270 nan 0.000 0.503 693 T N -1.519 113.037 114.554 0.003 0.000 2.788 693 T HA 0.118 4.468 4.350 -0.001 0.000 0.287 693 T C 1.362 176.048 174.700 -0.023 0.000 1.007 693 T CA 0.128 62.217 62.100 -0.019 0.000 1.005 693 T CB 1.041 69.895 68.868 -0.022 0.000 1.012 693 T HN 0.146 nan 8.240 nan 0.000 0.530 694 S N 0.484 116.150 115.700 -0.058 0.000 2.607 694 S HA 0.064 4.534 4.470 -0.001 0.000 0.224 694 S C 0.456 175.020 174.600 -0.060 0.000 0.969 694 S CA -0.362 57.791 58.200 -0.078 0.000 0.927 694 S CB -0.590 62.511 63.200 -0.164 0.000 0.772 694 S HN 0.710 nan 8.310 nan 0.000 0.533 695 N N 1.232 119.907 118.700 -0.041 0.000 2.238 695 N HA 0.562 5.301 4.740 -0.001 0.000 0.302 695 N C -0.809 174.696 175.510 -0.008 0.000 1.072 695 N CA -0.313 52.720 53.050 -0.029 0.000 0.792 695 N CB 1.971 40.435 38.487 -0.038 0.000 1.425 695 N HN 0.273 nan 8.380 nan 0.000 0.478 696 A N 1.162 123.981 122.820 -0.001 0.000 2.483 696 A HA 0.349 4.668 4.320 -0.001 0.000 0.238 696 A C 0.047 177.634 177.584 0.005 0.000 1.070 696 A CA 0.091 52.133 52.037 0.009 0.000 0.770 696 A CB 0.249 19.255 19.000 0.010 0.000 1.008 696 A HN 0.403 nan 8.150 nan 0.000 0.497 697 V N 1.960 121.881 119.914 0.011 0.000 2.656 697 V HA 0.604 4.723 4.120 -0.001 0.000 0.307 697 V C 0.202 176.302 176.094 0.010 0.000 1.051 697 V CA -0.344 61.962 62.300 0.009 0.000 0.893 697 V CB 2.101 33.932 31.823 0.012 0.000 0.999 697 V HN 1.004 nan 8.190 nan 0.000 0.426 698 S N 1.469 117.173 115.700 0.007 0.000 2.671 698 S HA 0.774 5.244 4.470 -0.001 0.000 0.299 698 S C 0.661 175.264 174.600 0.006 0.000 1.116 698 S CA 0.154 58.358 58.200 0.007 0.000 0.912 698 S CB 1.726 64.928 63.200 0.004 0.000 1.130 698 S HN 1.742 nan 8.310 nan 0.000 0.501 699 G N 0.903 109.706 108.800 0.005 0.000 2.198 699 G HA2 -0.209 3.751 3.960 -0.001 0.000 0.260 699 G HA3 -0.209 3.751 3.960 -0.001 0.000 0.260 699 G C -0.235 174.668 174.900 0.004 0.000 1.025 699 G CA 0.150 45.252 45.100 0.003 0.000 0.769 699 G HN 0.480 nan 8.290 nan 0.000 0.507 700 L N 0.536 121.763 121.223 0.007 0.000 2.371 700 L HA 0.621 4.961 4.340 -0.001 0.000 0.272 700 L C 1.052 177.926 176.870 0.006 0.000 1.124 700 L CA 0.076 54.921 54.840 0.008 0.000 0.816 700 L CB 1.528 43.595 42.059 0.013 0.000 1.129 700 L HN 0.300 nan 8.230 nan 0.000 0.448 701 T N 1.246 115.803 114.554 0.004 0.000 2.823 701 T HA 0.719 5.069 4.350 -0.001 0.000 0.279 701 T C -0.488 174.214 174.700 0.003 0.000 0.998 701 T CA -0.628 61.472 62.100 0.001 0.000 0.994 701 T CB 1.456 70.321 68.868 -0.005 0.000 0.960 701 T HN 0.686 nan 8.240 nan 0.000 0.448 702 A N 3.789 126.611 122.820 0.003 0.000 2.287 702 A HA 0.663 4.982 4.320 -0.001 0.000 0.317 702 A C 0.151 177.737 177.584 0.003 0.000 1.220 702 A CA -0.691 51.350 52.037 0.007 0.000 0.835 702 A CB 0.741 19.749 19.000 0.012 0.000 1.180 702 A HN 0.861 nan 8.150 nan 0.000 0.500 703 T N 2.114 116.668 114.554 0.000 0.000 2.791 703 T HA 0.542 4.891 4.350 -0.001 0.000 0.288 703 T C -0.072 174.630 174.700 0.002 0.000 0.999 703 T CA -0.208 61.883 62.100 -0.014 0.000 0.952 703 T CB 1.164 70.013 68.868 -0.030 0.000 0.938 703 T HN 0.799 nan 8.240 nan 0.000 0.444 704 T N 3.140 117.705 114.554 0.018 0.000 2.792 704 T HA 0.607 4.956 4.350 -0.001 0.000 0.280 704 T C -0.929 173.803 174.700 0.054 0.000 0.990 704 T CA -0.785 61.358 62.100 0.071 0.000 0.960 704 T CB 0.433 69.385 68.868 0.139 0.000 0.939 704 T HN 0.447 nan 8.240 nan 0.000 0.439 705 K N 4.341 124.756 120.400 0.024 0.000 2.443 705 K HA 0.543 4.863 4.320 -0.001 0.000 0.252 705 K C -0.849 175.704 176.600 -0.078 0.000 0.933 705 K CA -0.791 55.434 56.287 -0.103 0.000 0.792 705 K CB 2.204 34.556 32.500 -0.245 0.000 1.185 705 K HN 0.549 nan 8.250 nan 0.000 0.425 706 L N 3.440 124.603 121.223 -0.102 0.000 2.322 706 L HA 0.519 4.859 4.340 -0.001 0.000 0.279 706 L C -0.973 175.741 176.870 -0.260 0.000 1.036 706 L CA -0.940 53.893 54.840 -0.012 0.000 0.807 706 L CB 0.603 42.700 42.059 0.064 0.000 1.226 706 L HN 0.546 nan 8.230 nan 0.000 0.433 707 Y N 0.718 121.156 120.300 0.230 0.000 2.442 707 Y HA 0.332 4.882 4.550 -0.001 0.000 0.344 707 Y C 0.243 176.272 175.900 0.215 0.000 0.976 707 Y CA -1.099 57.137 58.100 0.227 0.000 1.040 707 Y CB 1.522 40.189 38.460 0.346 0.000 1.228 707 Y HN 0.506 nan 8.280 nan 0.000 0.451 708 N N 1.647 120.518 118.700 0.284 0.000 2.371 708 N HA 0.148 4.887 4.740 -0.001 0.000 0.243 708 N C 0.991 176.621 175.510 0.200 0.000 1.287 708 N CA -0.087 53.090 53.050 0.213 0.000 0.911 708 N CB 0.714 39.276 38.487 0.126 0.000 1.142 708 N HN 0.730 nan 8.380 nan 0.000 0.451 709 L N 0.195 121.493 121.223 0.124 0.000 2.456 709 L HA -0.137 4.202 4.340 -0.001 0.000 0.224 709 L C 1.152 178.047 176.870 0.041 0.000 1.148 709 L CA 0.880 55.750 54.840 0.051 0.000 0.825 709 L CB -0.442 41.624 42.059 0.012 0.000 0.937 709 L HN 0.574 nan 8.230 nan 0.000 0.450 710 D N -0.773 119.670 120.400 0.071 0.000 2.340 710 D HA 0.011 4.650 4.640 -0.001 0.000 0.220 710 D C 1.468 177.816 176.300 0.080 0.000 1.039 710 D CA 0.871 54.906 54.000 0.059 0.000 0.866 710 D CB 0.347 41.181 40.800 0.057 0.000 0.913 710 D HN 0.226 nan 8.370 nan 0.000 0.523 711 G N -0.541 108.340 108.800 0.135 0.000 2.195 711 G HA2 -0.239 3.721 3.960 -0.001 0.000 0.224 711 G HA3 -0.239 3.721 3.960 -0.001 0.000 0.224 711 G C 0.360 175.467 174.900 0.345 0.000 0.990 711 G CA 0.116 45.333 45.100 0.194 0.000 0.639 711 G HN 0.415 nan 8.290 nan 0.000 0.514 712 T N 1.686 116.394 114.554 0.256 0.000 2.817 712 T HA 0.368 4.718 4.350 -0.001 0.000 0.295 712 T C 0.377 175.222 174.700 0.240 0.000 0.958 712 T CA 0.371 62.599 62.100 0.214 0.000 1.157 712 T CB 1.436 70.374 68.868 0.117 0.000 0.898 712 T HN 0.422 nan 8.240 nan 0.000 0.536 713 E N 2.409 122.707 120.200 0.162 0.000 2.324 713 E HA 0.036 4.385 4.350 -0.001 0.000 0.271 713 E C 0.553 177.089 176.600 -0.106 0.000 1.028 713 E CA -0.311 55.993 56.400 -0.159 0.000 0.890 713 E CB 0.371 29.952 29.700 -0.198 0.000 1.004 713 E HN 0.385 nan 8.360 nan 0.000 0.431 714 K N 3.336 123.654 120.400 -0.135 0.000 2.412 714 K HA 0.078 4.398 4.320 -0.001 0.000 0.202 714 K C -0.715 175.892 176.600 0.012 0.000 1.102 714 K CA -0.020 56.237 56.287 -0.050 0.000 1.027 714 K CB 0.777 33.248 32.500 -0.049 0.000 0.931 714 K HN 0.524 nan 8.250 nan 0.000 0.557 715 Y N -0.504 119.682 120.300 -0.190 0.000 2.565 715 Y HA 0.408 4.957 4.550 -0.001 0.000 0.330 715 Y C -1.747 174.047 175.900 -0.177 0.000 1.150 715 Y CA -0.840 57.170 58.100 -0.150 0.000 1.055 715 Y CB 1.876 40.263 38.460 -0.121 0.000 1.337 715 Y HN -0.160 nan 8.280 nan 0.000 0.457 716 S N 4.193 119.389 115.700 -0.839 0.000 2.543 716 S HA 0.589 5.058 4.470 -0.001 0.000 0.271 716 S C -2.198 171.922 174.600 -0.800 0.000 1.148 716 S CA -0.594 57.226 58.200 -0.634 0.000 0.914 716 S CB 1.135 64.130 63.200 -0.342 0.000 1.096 716 S HN 0.802 nan 8.310 nan 0.000 0.471 717 N N 1.402 119.808 118.700 -0.489 0.000 2.336 717 N HA 0.590 5.330 4.740 -0.001 0.000 0.290 717 N C -1.826 173.609 175.510 -0.125 0.000 1.058 717 N CA -0.282 52.597 53.050 -0.285 0.000 0.865 717 N CB 2.112 40.524 38.487 -0.124 0.000 1.581 717 N HN 0.417 nan 8.380 nan 0.000 0.480 718 T N 2.139 116.635 114.554 -0.095 0.000 2.864 718 T HA 0.300 4.650 4.350 -0.001 0.000 0.299 718 T C -0.884 173.795 174.700 -0.035 0.000 1.011 718 T CA -0.461 61.605 62.100 -0.057 0.000 0.975 718 T CB 0.784 69.616 68.868 -0.060 0.000 0.962 718 T HN 0.340 nan 8.240 nan 0.000 0.448 719 K N 3.520 123.909 120.400 -0.018 0.000 2.334 719 K HA 0.483 4.803 4.320 -0.001 0.000 0.265 719 K C 0.387 176.983 176.600 -0.007 0.000 1.039 719 K CA -0.499 55.783 56.287 -0.008 0.000 0.920 719 K CB 0.206 32.708 32.500 0.003 0.000 1.160 719 K HN 0.684 nan 8.250 nan 0.000 0.451 720 T N 0.140 114.689 114.554 -0.009 0.000 2.862 720 T HA 0.523 4.872 4.350 -0.001 0.000 0.276 720 T C 0.840 175.539 174.700 -0.003 0.000 0.974 720 T CA -0.203 61.894 62.100 -0.006 0.000 0.966 720 T CB 1.158 70.021 68.868 -0.009 0.000 1.072 720 T HN 0.919 nan 8.240 nan 0.000 0.538 721 G N 0.354 109.154 108.800 -0.001 0.000 2.305 721 G HA2 -0.194 3.766 3.960 -0.001 0.000 0.287 721 G HA3 -0.194 3.766 3.960 -0.001 0.000 0.287 721 G C -0.113 174.789 174.900 0.003 0.000 1.036 721 G CA 0.243 45.343 45.100 0.000 0.000 0.887 721 G HN 0.848 nan 8.290 nan 0.000 0.505 722 L N 0.516 121.742 121.223 0.005 0.000 2.326 722 L HA 0.527 4.866 4.340 -0.001 0.000 0.278 722 L C 0.684 177.560 176.870 0.010 0.000 1.092 722 L CA -0.282 54.563 54.840 0.008 0.000 0.810 722 L CB 1.572 43.637 42.059 0.011 0.000 1.153 722 L HN 0.171 nan 8.230 nan 0.000 0.439 723 S N 1.943 117.650 115.700 0.012 0.000 2.537 723 S HA 0.693 5.163 4.470 -0.001 0.000 0.301 723 S C -0.960 173.652 174.600 0.019 0.000 1.092 723 S CA -0.534 57.674 58.200 0.014 0.000 1.048 723 S CB 2.288 65.494 63.200 0.011 0.000 1.053 723 S HN 0.372 nan 8.310 nan 0.000 0.501 724 V N 2.562 122.489 119.914 0.023 0.000 2.777 724 V HA 0.781 4.900 4.120 -0.001 0.000 0.306 724 V C 0.249 176.362 176.094 0.033 0.000 1.112 724 V CA -0.327 61.992 62.300 0.031 0.000 0.917 724 V CB 1.499 33.346 31.823 0.040 0.000 1.018 724 V HN 0.949 nan 8.190 nan 0.000 0.426 725 G N 3.900 112.723 108.800 0.038 0.000 2.634 725 G HA2 0.615 4.574 3.960 -0.001 0.000 0.255 725 G HA3 0.615 4.574 3.960 -0.001 0.000 0.255 725 G C 0.248 175.178 174.900 0.050 0.000 1.205 725 G CA 0.023 45.147 45.100 0.039 0.000 0.884 725 G HN 1.601 nan 8.290 nan 0.000 0.549 726 A N -0.704 122.144 122.820 0.047 0.000 2.313 726 A HA 0.573 4.892 4.320 -0.001 0.000 0.261 726 A C 0.957 178.592 177.584 0.084 0.000 1.090 726 A CA -0.327 51.739 52.037 0.048 0.000 0.807 726 A CB -0.006 19.010 19.000 0.027 0.000 1.055 726 A HN 1.502 nan 8.150 nan 0.000 0.492 727 L N -0.354 120.914 121.223 0.076 0.000 3.597 727 L HA -0.288 4.051 4.340 -0.001 0.000 0.440 727 L C 1.130 178.103 176.870 0.171 0.000 1.277 727 L CA 0.660 55.562 54.840 0.103 0.000 0.852 727 L CB -2.120 40.011 42.059 0.122 0.000 1.708 727 L HN 1.966 nan 8.230 nan 0.000 0.885 728 G N -2.185 106.705 108.800 0.149 0.000 2.179 728 G HA2 -0.011 3.949 3.960 -0.001 0.000 0.220 728 G HA3 -0.011 3.949 3.960 -0.001 0.000 0.220 728 G C 0.436 175.508 174.900 0.286 0.000 0.990 728 G CA -0.007 45.221 45.100 0.215 0.000 0.646 728 G HN 1.284 nan 8.290 nan 0.000 0.517 729 A N 0.073 123.011 122.820 0.196 0.000 2.366 729 A HA 0.706 5.026 4.320 -0.001 0.000 0.250 729 A C 0.608 178.260 177.584 0.114 0.000 1.099 729 A CA 1.189 53.306 52.037 0.134 0.000 0.794 729 A CB 0.347 19.399 19.000 0.086 0.000 1.056 729 A HN 1.439 nan 8.150 nan 0.000 0.499 730 K N -1.150 119.302 120.400 0.086 0.000 2.466 730 K HA 0.832 5.152 4.320 -0.001 0.000 0.260 730 K C -1.031 175.599 176.600 0.051 0.000 1.011 730 K CA -0.489 55.845 56.287 0.078 0.000 0.871 730 K CB 2.165 34.718 32.500 0.089 0.000 1.404 730 K HN 1.220 nan 8.250 nan 0.000 0.450 731 A N 0.749 123.595 122.820 0.044 0.000 2.520 731 A HA 0.536 4.855 4.320 -0.001 0.000 0.298 731 A C -1.192 176.406 177.584 0.023 0.000 1.051 731 A CA -0.775 51.279 52.037 0.029 0.000 0.690 731 A CB 1.920 20.935 19.000 0.025 0.000 1.281 731 A HN 0.588 nan 8.150 nan 0.000 0.402 732 T N 2.053 116.614 114.554 0.013 0.000 2.771 732 T HA 0.487 4.836 4.350 -0.001 0.000 0.291 732 T C 1.401 176.103 174.700 0.004 0.000 0.954 732 T CA 0.397 62.499 62.100 0.003 0.000 1.045 732 T CB 1.507 70.370 68.868 -0.008 0.000 0.917 732 T HN 1.025 nan 8.240 nan 0.000 0.484 733 A N 3.791 126.614 122.820 0.005 0.000 1.861 733 A HA 0.495 4.814 4.320 -0.001 0.000 0.212 733 A C 0.834 178.427 177.584 0.015 0.000 1.199 733 A CA 0.600 52.644 52.037 0.011 0.000 0.613 733 A CB 0.167 19.177 19.000 0.017 0.000 0.846 733 A HN 0.625 nan 8.150 nan 0.000 0.446 734 V N -1.984 117.939 119.914 0.014 0.000 3.236 734 V HA 0.427 4.546 4.120 -0.001 0.000 0.287 734 V C -1.547 174.543 176.094 -0.006 0.000 1.491 734 V CA -0.487 61.829 62.300 0.026 0.000 1.037 734 V CB 2.050 33.922 31.823 0.082 0.000 1.160 734 V HN 0.206 nan 8.190 nan 0.000 0.453 735 T N 3.662 118.206 114.554 -0.017 0.000 2.770 735 T HA 0.463 4.812 4.350 -0.001 0.000 0.297 735 T C -0.341 174.318 174.700 -0.068 0.000 0.997 735 T CA -0.202 61.860 62.100 -0.064 0.000 0.949 735 T CB 1.077 69.902 68.868 -0.072 0.000 0.941 735 T HN 0.620 nan 8.240 nan 0.000 0.457 736 V N 7.990 127.839 119.914 -0.108 0.000 2.540 736 V HA 0.129 4.248 4.120 -0.001 0.000 0.297 736 V C -1.426 174.518 176.094 -0.250 0.000 1.024 736 V CA -1.204 60.938 62.300 -0.264 0.000 1.105 736 V CB -0.261 31.433 31.823 -0.213 0.000 0.938 736 V HN 0.706 nan 8.190 nan 0.000 0.482 737 P HA 0.247 nan 4.420 nan 0.000 0.274 737 P C -0.533 176.657 177.300 -0.184 0.000 1.256 737 P CA -0.584 62.412 63.100 -0.173 0.000 0.795 737 P CB 0.763 32.404 31.700 -0.097 0.000 1.038 738 A N 1.579 124.331 122.820 -0.113 0.000 2.489 738 A HA 0.252 4.571 4.320 -0.001 0.000 0.289 738 A C 0.353 177.869 177.584 -0.113 0.000 1.216 738 A CA -0.092 51.884 52.037 -0.101 0.000 0.883 738 A CB -1.212 17.750 19.000 -0.063 0.000 1.110 738 A HN 0.325 nan 8.150 nan 0.000 0.523 739 V N 3.609 123.426 119.914 -0.161 0.000 2.607 739 V HA 0.384 4.504 4.120 -0.001 0.000 0.289 739 V C 0.983 177.000 176.094 -0.128 0.000 1.053 739 V CA 0.142 62.359 62.300 -0.139 0.000 0.996 739 V CB 1.499 33.214 31.823 -0.181 0.000 0.995 739 V HN 1.028 nan 8.190 nan 0.000 0.476 740 S N 2.842 118.492 115.700 -0.082 0.000 2.646 740 S HA 0.637 5.106 4.470 -0.001 0.000 0.276 740 S C 0.993 175.549 174.600 -0.074 0.000 1.222 740 S CA 0.182 58.340 58.200 -0.071 0.000 1.014 740 S CB 1.353 64.528 63.200 -0.042 0.000 0.991 740 S HN 2.215 nan 8.310 nan 0.000 0.533 741 G N 0.712 109.473 108.800 -0.064 0.000 2.155 741 G HA2 -0.215 3.745 3.960 -0.001 0.000 0.257 741 G HA3 -0.215 3.745 3.960 -0.001 0.000 0.257 741 G C -0.074 174.783 174.900 -0.071 0.000 0.983 741 G CA 0.317 45.386 45.100 -0.051 0.000 0.676 741 G HN 0.823 nan 8.290 nan 0.000 0.528 742 L N 1.837 122.978 121.223 -0.136 0.000 2.416 742 L HA 0.406 4.746 4.340 -0.001 0.000 0.272 742 L C 1.566 178.394 176.870 -0.070 0.000 1.161 742 L CA 0.060 54.784 54.840 -0.193 0.000 0.845 742 L CB 0.876 42.615 42.059 -0.534 0.000 1.119 742 L HN 0.447 nan 8.230 nan 0.000 0.464 743 S N 0.748 116.456 115.700 0.013 0.000 2.573 743 S HA 0.008 4.478 4.470 -0.001 0.000 0.277 743 S C 1.168 175.846 174.600 0.131 0.000 1.346 743 S CA -0.440 57.803 58.200 0.072 0.000 1.034 743 S CB 0.973 64.230 63.200 0.094 0.000 0.879 743 S HN 0.682 nan 8.310 nan 0.000 0.528 744 T N 1.726 116.343 114.554 0.105 0.000 2.699 744 T HA -0.058 4.292 4.350 -0.001 0.000 0.268 744 T C 0.733 175.533 174.700 0.167 0.000 1.036 744 T CA 1.733 63.904 62.100 0.117 0.000 1.147 744 T CB -0.479 68.431 68.868 0.070 0.000 0.862 744 T HN 0.797 nan 8.240 nan 0.000 0.446 745 T N 2.113 116.745 114.554 0.130 0.000 2.794 745 T HA 0.590 4.940 4.350 -0.001 0.000 0.280 745 T C -0.795 174.004 174.700 0.166 0.000 0.987 745 T CA -0.780 61.370 62.100 0.083 0.000 0.993 745 T CB 0.811 69.678 68.868 -0.002 0.000 0.939 745 T HN 0.452 nan 8.240 nan 0.000 0.449 746 Y N 0.721 121.034 120.300 0.021 0.000 2.677 746 Y HA 0.825 5.375 4.550 -0.001 0.000 0.334 746 Y C -1.890 174.053 175.900 0.071 0.000 1.154 746 Y CA -1.843 56.283 58.100 0.042 0.000 1.070 746 Y CB 1.171 39.655 38.460 0.042 0.000 1.294 746 Y HN 0.409 nan 8.280 nan 0.000 0.475 747 L N 2.133 123.489 121.223 0.221 0.000 2.346 747 L HA 0.866 5.205 4.340 -0.001 0.000 0.276 747 L C -0.652 176.403 176.870 0.309 0.000 1.006 747 L CA -1.361 53.612 54.840 0.220 0.000 0.817 747 L CB 2.088 44.362 42.059 0.359 0.000 1.272 747 L HN 0.910 nan 8.230 nan 0.000 0.421 748 A N 3.199 126.123 122.820 0.174 0.000 2.273 748 A HA 0.459 4.779 4.320 -0.001 0.000 0.315 748 A C -0.600 177.128 177.584 0.240 0.000 1.256 748 A CA -0.563 51.546 52.037 0.120 0.000 0.851 748 A CB 0.826 19.686 19.000 -0.234 0.000 1.172 748 A HN 0.667 nan 8.150 nan 0.000 0.508 749 K N 3.646 124.179 120.400 0.221 0.000 2.281 749 K HA 0.258 4.577 4.320 -0.001 0.000 0.272 749 K C -0.917 175.731 176.600 0.080 0.000 1.048 749 K CA -0.193 56.170 56.287 0.127 0.000 0.898 749 K CB 0.261 32.646 32.500 -0.191 0.000 1.128 749 K HN 0.854 nan 8.250 nan 0.000 0.460 750 N N 2.901 121.679 118.700 0.130 0.000 2.400 750 N HA 0.331 5.071 4.740 -0.001 0.000 0.288 750 N C -1.432 174.118 175.510 0.066 0.000 1.024 750 N CA -0.813 52.295 53.050 0.097 0.000 0.894 750 N CB 2.106 40.675 38.487 0.137 0.000 1.173 750 N HN 0.125 nan 8.380 nan 0.000 0.487 751 V N 2.714 122.647 119.914 0.031 0.000 2.686 751 V HA 0.363 4.482 4.120 -0.001 0.000 0.306 751 V C -0.795 175.308 176.094 0.016 0.000 1.065 751 V CA -0.753 61.560 62.300 0.022 0.000 0.894 751 V CB 1.999 33.823 31.823 0.002 0.000 1.004 751 V HN 0.463 nan 8.190 nan 0.000 0.424 752 L N 5.029 126.264 121.223 0.020 0.000 2.322 752 L HA 0.894 5.233 4.340 -0.001 0.000 0.281 752 L C 0.194 177.075 176.870 0.019 0.000 1.014 752 L CA 0.384 55.234 54.840 0.017 0.000 0.815 752 L CB 2.037 44.107 42.059 0.017 0.000 1.247 752 L HN 0.908 nan 8.230 nan 0.000 0.421 753 T N 0.217 114.779 114.554 0.014 0.000 2.841 753 T HA 0.651 5.000 4.350 -0.001 0.000 0.283 753 T C -0.526 174.181 174.700 0.011 0.000 1.000 753 T CA -0.879 61.228 62.100 0.013 0.000 0.977 753 T CB 1.447 70.319 68.868 0.007 0.000 0.979 753 T HN 0.624 nan 8.240 nan 0.000 0.446 754 D N 1.046 121.453 120.400 0.012 0.000 2.433 754 D HA 0.237 4.877 4.640 -0.001 0.000 0.255 754 D C 1.591 177.894 176.300 0.006 0.000 1.226 754 D CA -0.317 53.689 54.000 0.010 0.000 1.015 754 D CB 0.390 41.196 40.800 0.010 0.000 1.091 754 D HN 0.497 nan 8.370 nan 0.000 0.527 755 S N -1.072 114.631 115.700 0.004 0.000 2.442 755 S HA -0.195 4.274 4.470 -0.001 0.000 0.236 755 S C 1.755 176.356 174.600 0.002 0.000 1.007 755 S CA 0.976 59.178 58.200 0.002 0.000 0.965 755 S CB -0.950 62.251 63.200 0.001 0.000 0.773 755 S HN 0.592 nan 8.310 nan 0.000 0.504 756 S N 0.613 116.315 115.700 0.002 0.000 2.522 756 S HA 0.363 4.832 4.470 -0.001 0.000 0.227 756 S C 1.722 176.324 174.600 0.003 0.000 0.986 756 S CA 0.751 58.952 58.200 0.002 0.000 0.929 756 S CB -0.758 62.444 63.200 0.002 0.000 0.769 756 S HN 1.485 nan 8.310 nan 0.000 0.529 757 G N 1.083 109.886 108.800 0.004 0.000 2.195 757 G HA2 -0.292 3.667 3.960 -0.001 0.000 0.246 757 G HA3 -0.292 3.667 3.960 -0.001 0.000 0.246 757 G C 0.020 174.925 174.900 0.008 0.000 0.984 757 G CA 0.235 45.338 45.100 0.005 0.000 0.633 757 G HN 0.730 nan 8.290 nan 0.000 0.525 758 K N 1.422 121.828 120.400 0.009 0.000 2.448 758 K HA 0.215 4.535 4.320 -0.001 0.000 0.278 758 K C 0.480 177.090 176.600 0.017 0.000 1.009 758 K CA 0.027 56.322 56.287 0.013 0.000 0.995 758 K CB 0.254 32.761 32.500 0.013 0.000 0.917 758 K HN 0.416 nan 8.250 nan 0.000 0.481 759 E N 3.816 124.029 120.200 0.021 0.000 2.166 759 E HA 0.004 4.353 4.350 -0.001 0.000 0.279 759 E C 0.667 177.285 176.600 0.031 0.000 1.095 759 E CA -0.385 56.030 56.400 0.026 0.000 0.888 759 E CB 0.621 30.339 29.700 0.030 0.000 1.041 759 E HN 0.516 nan 8.360 nan 0.000 0.414 760 V N 1.133 121.067 119.914 0.033 0.000 3.565 760 V HA 0.248 4.368 4.120 -0.001 0.000 0.260 760 V C 0.508 176.636 176.094 0.058 0.000 1.231 760 V CA 0.292 62.616 62.300 0.040 0.000 1.100 760 V CB 0.707 32.551 31.823 0.034 0.000 0.807 760 V HN 0.377 nan 8.190 nan 0.000 0.454 761 S N 0.317 116.054 115.700 0.060 0.000 2.566 761 S HA 0.639 5.108 4.470 -0.001 0.000 0.273 761 S C -0.946 173.698 174.600 0.073 0.000 1.157 761 S CA -0.755 57.496 58.200 0.085 0.000 0.938 761 S CB 1.972 65.227 63.200 0.092 0.000 1.087 761 S HN 0.679 nan 8.310 nan 0.000 0.474 762 R N 3.005 123.563 120.500 0.097 0.000 2.599 762 R HA 0.635 4.975 4.340 -0.001 0.000 0.295 762 R C -1.665 174.722 176.300 0.145 0.000 0.963 762 R CA -0.575 55.588 56.100 0.105 0.000 0.883 762 R CB 1.181 31.546 30.300 0.107 0.000 1.171 762 R HN 0.593 nan 8.270 nan 0.000 0.450 763 N N 3.137 121.936 118.700 0.164 0.000 2.519 763 N HA 0.231 4.970 4.740 -0.001 0.000 0.291 763 N C -1.971 173.689 175.510 0.250 0.000 1.107 763 N CA -0.326 52.844 53.050 0.199 0.000 0.904 763 N CB 2.202 40.814 38.487 0.209 0.000 1.500 763 N HN 0.283 nan 8.380 nan 0.000 0.510 764 V N 4.613 124.665 119.914 0.230 0.000 2.370 764 V HA 0.475 4.594 4.120 -0.001 0.000 0.283 764 V C -0.752 175.467 176.094 0.209 0.000 1.023 764 V CA -0.462 62.051 62.300 0.355 0.000 0.857 764 V CB 0.584 32.720 31.823 0.522 0.000 0.985 764 V HN 0.479 nan 8.190 nan 0.000 0.443 765 Y N 2.975 123.358 120.300 0.139 0.000 2.360 765 Y HA 0.525 5.074 4.550 -0.001 0.000 0.337 765 Y C -0.023 175.884 175.900 0.012 0.000 1.039 765 Y CA -0.810 57.223 58.100 -0.111 0.000 1.109 765 Y CB 1.503 39.777 38.460 -0.309 0.000 1.201 765 Y HN 0.784 nan 8.280 nan 0.000 0.458 766 W N 3.980 125.334 121.300 0.091 0.000 2.335 766 W HA 0.780 5.440 4.660 -0.001 0.000 0.307 766 W C -1.961 174.477 176.519 -0.134 0.000 1.117 766 W CA -0.832 56.443 57.345 -0.116 0.000 1.228 766 W CB 0.258 29.610 29.460 -0.180 0.000 1.240 766 W HN 0.199 nan 8.180 nan 0.000 0.468 767 L N 3.288 124.327 121.223 -0.306 0.000 2.309 767 L HA 0.667 5.006 4.340 -0.001 0.000 0.261 767 L C -0.080 176.539 176.870 -0.418 0.000 1.021 767 L CA -1.168 53.397 54.840 -0.458 0.000 0.823 767 L CB 2.277 43.848 42.059 -0.813 0.000 1.366 767 L HN 0.562 nan 8.230 nan 0.000 0.423 768 S N -1.400 114.218 115.700 -0.136 0.000 2.513 768 S HA 0.304 4.773 4.470 -0.001 0.000 0.299 768 S C 0.780 175.526 174.600 0.244 0.000 1.087 768 S CA -0.181 58.056 58.200 0.062 0.000 1.012 768 S CB 1.611 64.837 63.200 0.042 0.000 1.044 768 S HN 0.767 nan 8.310 nan 0.000 0.485 769 T N 0.932 115.664 114.554 0.295 0.000 3.051 769 T HA 0.053 4.403 4.350 -0.001 0.000 0.269 769 T C 0.596 175.363 174.700 0.112 0.000 1.127 769 T CA 0.852 63.065 62.100 0.188 0.000 1.107 769 T CB -0.274 68.654 68.868 0.102 0.000 0.898 769 T HN 0.461 nan 8.240 nan 0.000 0.517 770 K N 1.546 122.006 120.400 0.100 0.000 2.234 770 K HA 0.617 4.936 4.320 -0.001 0.000 0.277 770 K C -0.411 176.232 176.600 0.071 0.000 1.038 770 K CA -0.702 55.629 56.287 0.074 0.000 0.888 770 K CB 1.034 33.575 32.500 0.069 0.000 1.091 770 K HN 0.266 nan 8.250 nan 0.000 0.467 771 A N 4.168 127.022 122.820 0.056 0.000 2.388 771 A HA 0.133 4.452 4.320 -0.001 0.000 0.257 771 A C -0.450 177.145 177.584 0.019 0.000 1.095 771 A CA -0.408 51.656 52.037 0.045 0.000 0.791 771 A CB 0.259 19.279 19.000 0.033 0.000 1.029 771 A HN 0.782 nan 8.150 nan 0.000 0.489 772 D N 1.593 121.999 120.400 0.010 0.000 2.389 772 D HA 0.382 5.022 4.640 -0.001 0.000 0.247 772 D C 0.390 176.634 176.300 -0.094 0.000 1.128 772 D CA 1.055 55.022 54.000 -0.056 0.000 0.884 772 D CB 1.027 41.808 40.800 -0.033 0.000 1.194 772 D HN 0.677 nan 8.370 nan 0.000 0.441 773 T N -1.057 113.388 114.554 -0.182 0.000 2.900 773 T HA 0.605 4.955 4.350 -0.001 0.000 0.303 773 T C -0.345 174.159 174.700 -0.327 0.000 1.142 773 T CA -0.946 61.041 62.100 -0.189 0.000 1.007 773 T CB 0.972 69.769 68.868 -0.118 0.000 1.156 773 T HN 0.097 nan 8.240 nan 0.000 0.490 774 L N 2.586 123.538 121.223 -0.452 0.000 2.289 774 L HA 0.467 4.806 4.340 -0.001 0.000 0.285 774 L C 0.680 177.195 176.870 -0.592 0.000 1.049 774 L CA -0.839 53.557 54.840 -0.741 0.000 0.804 774 L CB 0.940 42.063 42.059 -1.561 0.000 1.195 774 L HN 0.685 nan 8.230 nan 0.000 0.428 775 N N 2.254 120.697 118.700 -0.428 0.000 2.739 775 N HA 0.004 4.743 4.740 -0.001 0.000 0.266 775 N C 0.524 175.907 175.510 -0.212 0.000 1.168 775 N CA 0.058 52.962 53.050 -0.244 0.000 1.055 775 N CB 0.208 38.604 38.487 -0.152 0.000 1.393 775 N HN 0.555 nan 8.380 nan 0.000 0.514 776 W N 1.967 123.221 121.300 -0.077 0.000 2.342 776 W HA -0.020 4.640 4.660 -0.001 0.000 0.297 776 W C 2.255 178.730 176.519 -0.072 0.000 1.213 776 W CA 0.718 58.017 57.345 -0.077 0.000 1.251 776 W CB -0.086 29.335 29.460 -0.065 0.000 1.136 776 W HN 0.532 nan 8.180 nan 0.000 0.526 777 G N -0.194 108.699 108.800 0.155 0.000 2.471 777 G HA2 -0.098 3.861 3.960 -0.001 0.000 0.219 777 G HA3 -0.098 3.861 3.960 -0.001 0.000 0.219 777 G C 1.593 176.512 174.900 0.032 0.000 1.125 777 G CA 0.852 46.002 45.100 0.085 0.000 0.775 777 G HN 0.377 nan 8.290 nan 0.000 0.548 778 G N 0.231 109.021 108.800 -0.018 0.000 2.920 778 G HA2 0.228 4.187 3.960 -0.001 0.000 0.208 778 G HA3 0.228 4.187 3.960 -0.001 0.000 0.208 778 G C 0.723 175.525 174.900 -0.163 0.000 1.159 778 G CA 0.071 45.130 45.100 -0.069 0.000 0.784 778 G HN 0.314 nan 8.290 nan 0.000 0.535 779 S N 0.723 116.347 115.700 -0.127 0.000 2.558 779 S HA 0.163 4.633 4.470 -0.001 0.000 0.293 779 S C -0.031 174.485 174.600 -0.140 0.000 1.292 779 S CA 0.037 58.124 58.200 -0.188 0.000 1.063 779 S CB 1.309 64.519 63.200 0.016 0.000 0.831 779 S HN 0.392 nan 8.310 nan 0.000 0.499 780 D N 0.542 120.786 120.400 -0.260 0.000 2.592 780 D HA 0.300 4.939 4.640 -0.001 0.000 0.259 780 D C 1.224 177.545 176.300 0.035 0.000 1.144 780 D CA -0.950 53.017 54.000 -0.054 0.000 1.080 780 D CB 0.450 41.216 40.800 -0.056 0.000 1.225 780 D HN 0.676 nan 8.370 nan 0.000 0.619 781 W N 1.053 122.467 121.300 0.190 0.000 2.392 781 W HA -0.170 4.489 4.660 -0.001 0.000 0.279 781 W C 0.720 177.476 176.519 0.394 0.000 1.225 781 W CA 0.774 58.285 57.345 0.277 0.000 1.233 781 W CB -0.951 28.700 29.460 0.319 0.000 1.122 781 W HN 0.449 nan 8.180 nan 0.000 0.561 782 Y N -0.963 119.139 120.300 -0.330 0.000 2.481 782 Y HA 0.416 4.966 4.550 -0.001 0.000 0.247 782 Y C -0.156 175.812 175.900 0.114 0.000 1.151 782 Y CA -0.905 57.071 58.100 -0.208 0.000 1.238 782 Y CB -0.867 37.140 38.460 -0.754 0.000 1.179 782 Y HN 0.045 nan 8.280 nan 0.000 0.524 783 Y N -2.008 117.970 120.300 -0.537 0.000 2.774 783 Y HA 0.653 5.203 4.550 -0.001 0.000 0.346 783 Y C -1.861 173.843 175.900 -0.327 0.000 1.222 783 Y CA -1.412 56.433 58.100 -0.424 0.000 1.088 783 Y CB 0.989 39.226 38.460 -0.372 0.000 1.354 783 Y HN -0.179 nan 8.280 nan 0.000 0.455 784 T N 4.705 118.847 114.554 -0.687 0.000 2.840 784 T HA 0.470 4.819 4.350 -0.001 0.000 0.287 784 T C -2.948 171.341 174.700 -0.684 0.000 0.991 784 T CA -1.429 60.245 62.100 -0.710 0.000 0.964 784 T CB 1.694 70.380 68.868 -0.305 0.000 0.954 784 T HN 0.468 nan 8.240 nan 0.000 0.438 785 P HA 0.229 nan 4.420 nan 0.000 0.274 785 P C -0.732 176.416 177.300 -0.253 0.000 1.246 785 P CA -0.587 62.389 63.100 -0.207 0.000 0.795 785 P CB 0.872 32.516 31.700 -0.094 0.000 1.006 786 Q N -0.178 119.489 119.800 -0.222 0.000 2.230 786 Q HA 0.249 4.589 4.340 -0.001 0.000 0.253 786 Q C 0.968 176.744 176.000 -0.373 0.000 0.919 786 Q CA -0.390 55.136 55.803 -0.461 0.000 0.908 786 Q CB 1.207 29.381 28.738 -0.940 0.000 1.245 786 Q HN 0.458 nan 8.270 nan 0.000 0.437 787 S N -0.008 115.499 115.700 -0.323 0.000 2.524 787 S HA 0.417 4.886 4.470 -0.001 0.000 0.216 787 S C 0.380 174.896 174.600 -0.139 0.000 0.987 787 S CA 0.105 58.203 58.200 -0.172 0.000 0.909 787 S CB 0.534 63.661 63.200 -0.123 0.000 0.781 787 S HN 0.600 nan 8.310 nan 0.000 0.521 788 A N 0.279 122.932 122.820 -0.278 0.000 2.608 788 A HA 0.718 5.038 4.320 -0.001 0.000 0.292 788 A C -1.887 175.511 177.584 -0.310 0.000 1.066 788 A CA -0.794 51.163 52.037 -0.134 0.000 0.676 788 A CB 0.672 19.654 19.000 -0.030 0.000 1.277 788 A HN 0.237 nan 8.150 nan 0.000 0.413 789 F N 0.922 120.877 119.950 0.007 0.000 2.507 789 F HA 0.659 5.186 4.527 -0.001 0.000 0.325 789 F C 0.891 176.692 175.800 0.002 0.000 1.116 789 F CA -0.076 57.930 58.000 0.009 0.000 0.930 789 F CB 2.177 41.178 39.000 0.002 0.000 1.146 789 F HN 0.879 nan 8.300 nan 0.000 0.447 790 A N 1.489 124.404 122.820 0.159 0.000 2.507 790 A HA 0.217 4.536 4.320 -0.001 0.000 0.235 790 A C -0.350 177.270 177.584 0.060 0.000 1.070 790 A CA 0.022 52.112 52.037 0.087 0.000 0.768 790 A CB 0.035 19.066 19.000 0.051 0.000 1.011 790 A HN 0.680 nan 8.150 nan 0.000 0.502 791 D N 1.683 122.099 120.400 0.027 0.000 2.472 791 D HA 0.422 5.061 4.640 -0.001 0.000 0.234 791 D C 0.088 176.357 176.300 -0.051 0.000 1.088 791 D CA -0.189 53.807 54.000 -0.006 0.000 0.882 791 D CB 0.295 41.110 40.800 0.025 0.000 1.037 791 D HN 0.346 nan 8.370 nan 0.000 0.520 792 L N 2.429 123.561 121.223 -0.153 0.000 2.700 792 L HA 0.087 4.427 4.340 -0.001 0.000 0.234 792 L C 2.041 178.827 176.870 -0.141 0.000 1.156 792 L CA -0.041 54.678 54.840 -0.202 0.000 0.946 792 L CB 0.004 41.794 42.059 -0.449 0.000 1.216 792 L HN 0.295 nan 8.230 nan 0.000 0.493 793 S N -0.589 115.070 115.700 -0.067 0.000 2.507 793 S HA -0.078 4.392 4.470 -0.001 0.000 0.235 793 S C 2.016 176.639 174.600 0.039 0.000 0.988 793 S CA 0.748 58.956 58.200 0.013 0.000 0.944 793 S CB -0.424 62.790 63.200 0.024 0.000 0.762 793 S HN 0.444 nan 8.310 nan 0.000 0.526 794 G N 2.068 110.875 108.800 0.012 0.000 2.448 794 G HA2 -0.046 3.913 3.960 -0.001 0.000 0.219 794 G HA3 -0.046 3.913 3.960 -0.001 0.000 0.219 794 G C 1.310 176.225 174.900 0.025 0.000 1.127 794 G CA 0.730 45.843 45.100 0.022 0.000 0.766 794 G HN 0.551 nan 8.290 nan 0.000 0.552 795 L N 0.221 121.436 121.223 -0.013 0.000 2.189 795 L HA -0.152 4.187 4.340 -0.001 0.000 0.214 795 L C 2.571 179.652 176.870 0.351 0.000 1.097 795 L CA 1.159 55.996 54.840 -0.006 0.000 0.764 795 L CB -0.516 41.337 42.059 -0.342 0.000 0.900 795 L HN 0.234 nan 8.230 nan 0.000 0.436 796 N N 0.050 118.928 118.700 0.297 0.000 2.205 796 N HA -0.164 4.576 4.740 -0.001 0.000 0.186 796 N C 1.034 176.634 175.510 0.150 0.000 1.015 796 N CA 1.139 54.340 53.050 0.252 0.000 0.862 796 N CB -0.032 38.546 38.487 0.151 0.000 0.986 796 N HN 0.343 nan 8.380 nan 0.000 0.429 797 N N 0.208 118.980 118.700 0.120 0.000 2.204 797 N HA 0.065 4.804 4.740 -0.001 0.000 0.219 797 N C -0.552 174.997 175.510 0.065 0.000 1.151 797 N CA -0.274 52.818 53.050 0.070 0.000 0.867 797 N CB 0.356 38.871 38.487 0.047 0.000 1.043 797 N HN 0.154 nan 8.380 nan 0.000 0.516 798 L N 1.913 123.197 121.223 0.102 0.000 2.559 798 L HA 0.222 4.561 4.340 -0.001 0.000 0.274 798 L C 0.933 177.838 176.870 0.058 0.000 1.205 798 L CA -0.043 54.837 54.840 0.067 0.000 0.907 798 L CB 0.031 42.139 42.059 0.082 0.000 1.153 798 L HN 0.106 nan 8.230 nan 0.000 0.490 799 G N 4.138 112.949 108.800 0.018 0.000 2.594 799 G HA2 0.150 4.110 3.960 -0.001 0.000 0.243 799 G HA3 0.150 4.110 3.960 -0.001 0.000 0.243 799 G C -0.351 174.549 174.900 -0.000 0.000 1.229 799 G CA -0.639 44.464 45.100 0.004 0.000 0.843 799 G HN 0.702 nan 8.290 nan 0.000 0.578 800 Q N -0.322 119.470 119.800 -0.013 0.000 2.364 800 Q HA 0.246 4.586 4.340 -0.001 0.000 0.267 800 Q C 0.457 176.439 176.000 -0.031 0.000 0.999 800 Q CA 0.144 55.934 55.803 -0.023 0.000 0.886 800 Q CB 1.441 30.159 28.738 -0.033 0.000 1.243 800 Q HN 0.464 nan 8.270 nan 0.000 0.415 801 S N -0.076 115.603 115.700 -0.036 0.000 2.855 801 S HA 0.902 5.372 4.470 -0.001 0.000 0.308 801 S C -1.497 173.075 174.600 -0.045 0.000 1.077 801 S CA -0.028 58.141 58.200 -0.052 0.000 0.896 801 S CB 1.426 64.577 63.200 -0.081 0.000 1.339 801 S HN 0.674 nan 8.310 nan 0.000 0.602 802 A N 0.142 122.933 122.820 -0.048 0.000 2.549 802 A HA 0.759 5.078 4.320 -0.001 0.000 0.297 802 A C -1.488 176.070 177.584 -0.043 0.000 1.061 802 A CA -0.508 51.504 52.037 -0.041 0.000 0.690 802 A CB 1.557 20.537 19.000 -0.033 0.000 1.287 802 A HN 1.080 nan 8.150 nan 0.000 0.402 803 V N 1.035 120.924 119.914 -0.042 0.000 2.686 803 V HA 0.741 4.860 4.120 -0.001 0.000 0.306 803 V C 0.479 176.554 176.094 -0.032 0.000 1.065 803 V CA 1.056 63.333 62.300 -0.039 0.000 0.894 803 V CB 1.451 33.242 31.823 -0.054 0.000 1.004 803 V HN 2.715 nan 8.190 nan 0.000 0.424 804 G N 4.560 113.346 108.800 -0.023 0.000 2.215 804 G HA2 0.275 4.235 3.960 -0.001 0.000 0.198 804 G HA3 0.275 4.235 3.960 -0.001 0.000 0.198 804 G C -0.037 174.856 174.900 -0.013 0.000 1.047 804 G CA 0.055 45.145 45.100 -0.017 0.000 0.747 804 G HN 1.977 nan 8.290 nan 0.000 0.495 805 A N -0.206 122.608 122.820 -0.011 0.000 2.343 805 A HA 0.916 5.235 4.320 -0.001 0.000 0.308 805 A C -0.079 177.509 177.584 0.006 0.000 1.092 805 A CA 0.054 52.089 52.037 -0.003 0.000 0.751 805 A CB 1.958 20.953 19.000 -0.009 0.000 1.203 805 A HN 0.761 nan 8.150 nan 0.000 0.452 806 T N 1.156 115.719 114.554 0.015 0.000 2.861 806 T HA 0.735 5.084 4.350 -0.001 0.000 0.287 806 T C -0.479 174.240 174.700 0.032 0.000 1.003 806 T CA 0.159 62.271 62.100 0.019 0.000 0.977 806 T CB 1.424 70.301 68.868 0.016 0.000 0.996 806 T HN 1.470 nan 8.240 nan 0.000 0.448 807 A N 3.701 126.541 122.820 0.034 0.000 2.449 807 A HA 0.831 5.151 4.320 -0.001 0.000 0.302 807 A C -0.868 176.736 177.584 0.034 0.000 1.048 807 A CA -0.797 51.267 52.037 0.046 0.000 0.708 807 A CB 1.433 20.472 19.000 0.064 0.000 1.274 807 A HN 0.815 nan 8.150 nan 0.000 0.410 808 N N 0.171 118.889 118.700 0.031 0.000 2.329 808 N HA 0.655 5.394 4.740 -0.001 0.000 0.282 808 N C -1.350 174.167 175.510 0.013 0.000 1.198 808 N CA -0.325 52.736 53.050 0.019 0.000 0.790 808 N CB 1.899 40.392 38.487 0.010 0.000 1.579 808 N HN 0.533 nan 8.380 nan 0.000 0.475 809 S N 0.649 116.352 115.700 0.005 0.000 2.542 809 S HA 0.553 5.022 4.470 -0.001 0.000 0.293 809 S C -1.119 173.460 174.600 -0.035 0.000 1.089 809 S CA -0.541 57.652 58.200 -0.012 0.000 0.961 809 S CB 2.029 65.239 63.200 0.016 0.000 1.062 809 S HN 0.307 nan 8.310 nan 0.000 0.483 810 V N 2.124 121.997 119.914 -0.068 0.000 2.443 810 V HA 0.648 4.767 4.120 -0.001 0.000 0.293 810 V C -0.044 175.987 176.094 -0.105 0.000 1.021 810 V CA -0.802 61.455 62.300 -0.071 0.000 0.848 810 V CB 1.379 33.163 31.823 -0.064 0.000 0.998 810 V HN 1.024 nan 8.190 nan 0.000 0.424 811 A N 4.069 126.837 122.820 -0.087 0.000 2.347 811 A HA 0.716 5.035 4.320 -0.001 0.000 0.287 811 A C 0.715 178.247 177.584 -0.086 0.000 1.199 811 A CA 0.328 52.305 52.037 -0.100 0.000 0.851 811 A CB 0.244 19.202 19.000 -0.069 0.000 1.118 811 A HN 1.029 nan 8.150 nan 0.000 0.525 812 G N 0.316 109.055 108.800 -0.102 0.000 2.502 812 G HA2 0.492 4.451 3.960 -0.001 0.000 0.305 812 G HA3 0.492 4.451 3.960 -0.001 0.000 0.305 812 G C 0.940 175.802 174.900 -0.064 0.000 1.190 812 G CA 0.047 45.099 45.100 -0.080 0.000 0.933 812 G HN 1.231 nan 8.290 nan 0.000 0.503 813 A N -0.155 122.635 122.820 -0.050 0.000 2.168 813 A HA 0.052 4.372 4.320 -0.001 0.000 0.215 813 A C 1.668 179.229 177.584 -0.039 0.000 1.152 813 A CA 1.658 53.671 52.037 -0.039 0.000 0.716 813 A CB -0.162 18.820 19.000 -0.031 0.000 0.794 813 A HN 0.615 nan 8.150 nan 0.000 0.465 814 D N -1.747 118.624 120.400 -0.048 0.000 2.319 814 D HA 0.245 4.885 4.640 -0.001 0.000 0.230 814 D C 1.126 177.395 176.300 -0.051 0.000 1.094 814 D CA 0.658 54.631 54.000 -0.046 0.000 0.856 814 D CB -0.716 40.055 40.800 -0.048 0.000 0.915 814 D HN 0.617 nan 8.370 nan 0.000 0.517 815 G N 0.210 108.976 108.800 -0.057 0.000 2.162 815 G HA2 -0.269 3.690 3.960 -0.001 0.000 0.260 815 G HA3 -0.269 3.690 3.960 -0.001 0.000 0.260 815 G C 0.427 175.273 174.900 -0.089 0.000 0.976 815 G CA 0.728 45.793 45.100 -0.059 0.000 0.655 815 G HN 0.841 nan 8.290 nan 0.000 0.533 816 T N -1.798 112.684 114.554 -0.120 0.000 2.895 816 T HA 0.702 5.052 4.350 -0.001 0.000 0.283 816 T C -0.152 174.386 174.700 -0.271 0.000 1.014 816 T CA 0.177 62.160 62.100 -0.195 0.000 1.037 816 T CB 2.498 71.260 68.868 -0.178 0.000 1.006 816 T HN 0.267 nan 8.240 nan 0.000 0.468 817 T N 2.407 116.671 114.554 -0.484 0.000 2.823 817 T HA 0.555 4.904 4.350 -0.001 0.000 0.279 817 T C -0.293 174.027 174.700 -0.634 0.000 0.998 817 T CA -0.505 61.270 62.100 -0.541 0.000 0.994 817 T CB 1.405 69.883 68.868 -0.651 0.000 0.960 817 T HN 0.769 nan 8.240 nan 0.000 0.448 818 T N 3.128 117.467 114.554 -0.358 0.000 2.758 818 T HA 0.450 4.799 4.350 -0.001 0.000 0.285 818 T C -0.026 174.575 174.700 -0.166 0.000 0.981 818 T CA -0.446 61.495 62.100 -0.265 0.000 0.965 818 T CB 0.982 69.748 68.868 -0.171 0.000 0.927 818 T HN 0.472 nan 8.240 nan 0.000 0.448 819 T N 3.666 118.155 114.554 -0.108 0.000 2.767 819 T HA 0.466 4.815 4.350 -0.001 0.000 0.284 819 T C 0.092 174.765 174.700 -0.044 0.000 0.973 819 T CA -0.438 61.649 62.100 -0.022 0.000 0.996 819 T CB 0.882 69.801 68.868 0.084 0.000 0.927 819 T HN 0.480 nan 8.240 nan 0.000 0.456 820 T N 2.894 117.451 114.554 0.004 0.000 2.794 820 T HA 0.565 4.915 4.350 -0.001 0.000 0.280 820 T C -0.653 174.094 174.700 0.079 0.000 0.987 820 T CA -0.549 61.574 62.100 0.038 0.000 0.993 820 T CB 1.517 70.398 68.868 0.021 0.000 0.939 820 T HN 0.422 nan 8.240 nan 0.000 0.449 821 V N 3.791 123.784 119.914 0.133 0.000 2.487 821 V HA 0.636 4.756 4.120 -0.001 0.000 0.298 821 V C -0.596 175.551 176.094 0.088 0.000 1.028 821 V CA -0.299 62.078 62.300 0.129 0.000 0.860 821 V CB 1.958 33.900 31.823 0.198 0.000 0.991 821 V HN 0.957 nan 8.190 nan 0.000 0.427 822 T N 8.657 123.243 114.554 0.054 0.000 2.756 822 T HA 0.594 4.944 4.350 -0.001 0.000 0.290 822 T C -0.443 174.269 174.700 0.020 0.000 0.985 822 T CA -0.152 61.969 62.100 0.035 0.000 0.955 822 T CB 0.691 69.576 68.868 0.028 0.000 0.930 822 T HN 0.553 nan 8.240 nan 0.000 0.451 823 L N 3.396 124.624 121.223 0.009 0.000 2.329 823 L HA 0.670 5.010 4.340 -0.001 0.000 0.279 823 L C 0.025 176.893 176.870 -0.003 0.000 1.014 823 L CA -0.872 53.963 54.840 -0.009 0.000 0.814 823 L CB 1.767 43.804 42.059 -0.035 0.000 1.257 823 L HN 0.418 nan 8.230 nan 0.000 0.424 824 K N 2.125 122.521 120.400 -0.007 0.000 2.468 824 K HA 0.272 4.591 4.320 -0.001 0.000 0.252 824 K C -0.990 175.605 176.600 -0.007 0.000 0.932 824 K CA -0.780 55.508 56.287 0.002 0.000 0.794 824 K CB 1.770 34.274 32.500 0.007 0.000 1.241 824 K HN 0.486 nan 8.250 nan 0.000 0.428 825 N N 2.702 121.401 118.700 -0.002 0.000 2.399 825 N HA -0.013 4.726 4.740 -0.001 0.000 0.259 825 N C 0.062 175.567 175.510 -0.008 0.000 1.160 825 N CA 0.247 53.287 53.050 -0.016 0.000 0.946 825 N CB 0.980 39.453 38.487 -0.023 0.000 1.156 825 N HN 0.694 nan 8.380 nan 0.000 0.489 826 T N -0.685 113.860 114.554 -0.015 0.000 3.122 826 T HA 0.075 4.424 4.350 -0.001 0.000 0.250 826 T C 0.795 175.488 174.700 -0.012 0.000 1.067 826 T CA -0.482 61.612 62.100 -0.009 0.000 0.966 826 T CB -0.453 68.409 68.868 -0.010 0.000 1.002 826 T HN 0.396 nan 8.240 nan 0.000 0.542 827 S N 0.332 116.021 115.700 -0.020 0.000 2.579 827 S HA 0.456 4.925 4.470 -0.001 0.000 0.275 827 S C 1.476 176.070 174.600 -0.010 0.000 1.345 827 S CA -0.182 58.005 58.200 -0.021 0.000 1.031 827 S CB 1.017 64.194 63.200 -0.038 0.000 0.892 827 S HN 0.377 nan 8.310 nan 0.000 0.529 828 G N 0.618 109.414 108.800 -0.007 0.000 2.939 828 G HA2 0.463 4.422 3.960 -0.001 0.000 0.210 828 G HA3 0.463 4.422 3.960 -0.001 0.000 0.210 828 G C 0.546 175.450 174.900 0.006 0.000 1.160 828 G CA 0.076 45.177 45.100 0.001 0.000 0.770 828 G HN 0.977 nan 8.290 nan 0.000 0.543 829 G N -0.254 108.546 108.800 0.001 0.000 3.019 829 G HA2 0.423 4.382 3.960 -0.001 0.000 0.152 829 G HA3 0.423 4.382 3.960 -0.001 0.000 0.152 829 G C 0.582 175.490 174.900 0.014 0.000 1.320 829 G CA -0.626 44.479 45.100 0.007 0.000 1.013 829 G HN 0.137 nan 8.290 nan 0.000 0.593 830 R N -1.045 119.464 120.500 0.015 0.000 2.437 830 R HA 0.304 4.643 4.340 -0.001 0.000 0.257 830 R C 0.049 176.327 176.300 -0.036 0.000 0.927 830 R CA -0.185 55.937 56.100 0.037 0.000 1.078 830 R CB 0.141 30.489 30.300 0.080 0.000 1.161 830 R HN 0.190 nan 8.270 nan 0.000 0.529 831 L N 3.706 124.875 121.223 -0.090 0.000 2.331 831 L HA 0.307 4.646 4.340 -0.001 0.000 0.278 831 L C -2.010 174.649 176.870 -0.352 0.000 1.106 831 L CA -2.055 52.671 54.840 -0.189 0.000 0.824 831 L CB 0.622 42.611 42.059 -0.118 0.000 1.142 831 L HN -0.217 nan 8.230 nan 0.000 0.443 832 P HA 0.096 nan 4.420 nan 0.000 0.272 832 P C -0.935 176.113 177.300 -0.420 0.000 1.223 832 P CA -0.499 62.060 63.100 -0.902 0.000 0.784 832 P CB 1.006 31.633 31.700 -1.790 0.000 0.923 833 A N 3.065 125.707 122.820 -0.295 0.000 2.310 833 A HA 0.410 4.729 4.320 -0.001 0.000 0.300 833 A C -0.747 176.788 177.584 -0.082 0.000 1.269 833 A CA -0.363 51.596 52.037 -0.131 0.000 0.909 833 A CB -0.825 18.116 19.000 -0.100 0.000 1.144 833 A HN 0.498 nan 8.150 nan 0.000 0.540 834 F N 3.318 123.175 119.950 -0.155 0.000 2.427 834 F HA 0.480 5.006 4.527 -0.001 0.000 0.346 834 F C -0.175 175.627 175.800 0.003 0.000 1.120 834 F CA -0.942 56.980 58.000 -0.131 0.000 1.033 834 F CB 0.539 39.437 39.000 -0.171 0.000 1.126 834 F HN 0.681 nan 8.300 nan 0.000 0.462 835 Y N 4.178 123.960 120.300 -0.863 0.000 2.994 835 Y HA -0.156 4.393 4.550 -0.001 0.000 0.168 835 Y C -1.370 174.263 175.900 -0.445 0.000 1.648 835 Y CA 0.252 57.824 58.100 -0.879 0.000 0.924 835 Y CB -1.201 36.410 38.460 -1.414 0.000 1.415 835 Y HN 0.390 nan 8.280 nan 0.000 0.391 836 V N 3.680 123.305 119.914 -0.482 0.000 2.348 836 V HA 0.236 4.356 4.120 -0.001 0.000 0.270 836 V C 0.190 175.979 176.094 -0.509 0.000 1.037 836 V CA -0.353 61.726 62.300 -0.369 0.000 0.872 836 V CB 1.473 33.144 31.823 -0.253 0.000 1.002 836 V HN 0.455 nan 8.190 nan 0.000 0.464 837 D N 3.514 123.646 120.400 -0.446 0.000 2.280 837 D HA 0.355 4.995 4.640 -0.001 0.000 0.236 837 D C -0.272 175.806 176.300 -0.370 0.000 1.082 837 D CA -0.001 53.714 54.000 -0.475 0.000 0.834 837 D CB 1.611 42.237 40.800 -0.290 0.000 1.100 837 D HN 0.469 nan 8.370 nan 0.000 0.486 838 S N 3.857 119.236 115.700 -0.536 0.000 2.462 838 S HA 0.466 4.935 4.470 -0.001 0.000 0.294 838 S C -0.343 174.054 174.600 -0.338 0.000 1.144 838 S CA -0.858 57.072 58.200 -0.450 0.000 1.088 838 S CB 1.070 63.920 63.200 -0.584 0.000 1.009 838 S HN 0.250 nan 8.310 nan 0.000 0.484 839 K N 2.168 122.560 120.400 -0.013 0.000 2.426 839 K HA 0.395 4.714 4.320 -0.001 0.000 0.254 839 K C -0.905 175.827 176.600 0.220 0.000 0.936 839 K CA -0.724 55.658 56.287 0.158 0.000 0.801 839 K CB 1.812 34.347 32.500 0.059 0.000 1.139 839 K HN 0.343 nan 8.250 nan 0.000 0.424 840 V N 3.225 123.300 119.914 0.268 0.000 2.521 840 V HA 0.139 4.258 4.120 -0.001 0.000 0.286 840 V C 0.493 176.541 176.094 -0.076 0.000 1.034 840 V CA -0.419 61.881 62.300 -0.000 0.000 1.045 840 V CB 0.680 32.300 31.823 -0.338 0.000 0.974 840 V HN 0.586 nan 8.190 nan 0.000 0.480 841 V N 1.684 121.556 119.914 -0.069 0.000 3.102 841 V HA 0.810 4.929 4.120 -0.001 0.000 0.312 841 V C -0.521 175.532 176.094 -0.068 0.000 1.135 841 V CA -1.067 61.194 62.300 -0.064 0.000 1.022 841 V CB 2.152 33.957 31.823 -0.031 0.000 1.056 841 V HN 0.764 nan 8.190 nan 0.000 0.436 842 D N 1.107 121.471 120.400 -0.059 0.000 2.478 842 D HA 0.273 4.912 4.640 -0.001 0.000 0.274 842 D C 1.517 177.801 176.300 -0.028 0.000 1.234 842 D CA 0.231 54.206 54.000 -0.042 0.000 1.069 842 D CB 0.490 41.266 40.800 -0.040 0.000 1.113 842 D HN 0.857 nan 8.370 nan 0.000 0.571 843 S N -1.449 114.239 115.700 -0.020 0.000 2.440 843 S HA -0.133 4.336 4.470 -0.001 0.000 0.238 843 S C 1.769 176.357 174.600 -0.021 0.000 1.010 843 S CA 0.748 58.938 58.200 -0.017 0.000 0.972 843 S CB -0.840 62.352 63.200 -0.013 0.000 0.774 843 S HN 0.659 nan 8.310 nan 0.000 0.501 844 A N 0.503 123.307 122.820 -0.026 0.000 2.251 844 A HA 0.581 4.901 4.320 -0.001 0.000 0.209 844 A C 1.701 179.267 177.584 -0.031 0.000 1.187 844 A CA 0.454 52.474 52.037 -0.028 0.000 0.823 844 A CB -1.107 17.874 19.000 -0.032 0.000 0.846 844 A HN 1.545 nan 8.150 nan 0.000 0.486 845 G N -0.525 108.257 108.800 -0.031 0.000 2.148 845 G HA2 -0.287 3.672 3.960 -0.001 0.000 0.254 845 G HA3 -0.287 3.672 3.960 -0.001 0.000 0.254 845 G C 0.192 175.070 174.900 -0.037 0.000 0.981 845 G CA 0.619 45.700 45.100 -0.031 0.000 0.670 845 G HN 0.739 nan 8.290 nan 0.000 0.528 846 K N 1.135 121.509 120.400 -0.044 0.000 2.234 846 K HA 0.562 4.882 4.320 -0.001 0.000 0.282 846 K C -2.241 174.325 176.600 -0.057 0.000 1.039 846 K CA -2.100 54.155 56.287 -0.053 0.000 0.928 846 K CB 0.898 33.361 32.500 -0.062 0.000 1.039 846 K HN 0.001 nan 8.250 nan 0.000 0.470 847 P HA -0.083 nan 4.420 nan 0.000 0.262 847 P C -1.067 176.188 177.300 -0.076 0.000 1.182 847 P CA -0.172 62.900 63.100 -0.048 0.000 0.761 847 P CB 0.565 32.252 31.700 -0.022 0.000 0.795 848 V N 5.967 125.804 119.914 -0.128 0.000 2.408 848 V HA 0.228 4.347 4.120 -0.001 0.000 0.267 848 V C 0.464 176.477 176.094 -0.134 0.000 1.047 848 V CA 0.252 62.442 62.300 -0.183 0.000 0.937 848 V CB -0.282 31.300 31.823 -0.400 0.000 0.999 848 V HN 0.362 nan 8.190 nan 0.000 0.472 849 L N 7.114 128.304 121.223 -0.055 0.000 2.409 849 L HA 0.617 4.957 4.340 -0.001 0.000 0.262 849 L C -2.244 174.628 176.870 0.003 0.000 0.992 849 L CA -1.817 53.025 54.840 0.003 0.000 0.817 849 L CB 2.849 44.931 42.059 0.038 0.000 1.350 849 L HN 0.407 nan 8.230 nan 0.000 0.411 850 P HA 0.196 nan 4.420 nan 0.000 0.272 850 P C -1.175 176.201 177.300 0.128 0.000 1.240 850 P CA -0.233 62.894 63.100 0.044 0.000 0.791 850 P CB 2.183 33.788 31.700 -0.158 0.000 0.978 851 V N 0.117 120.169 119.914 0.231 0.000 3.012 851 V HA 0.363 4.483 4.120 -0.001 0.000 0.307 851 V C -1.340 174.810 176.094 0.093 0.000 1.166 851 V CA -0.600 61.763 62.300 0.105 0.000 0.974 851 V CB 2.342 34.160 31.823 -0.008 0.000 1.040 851 V HN 0.580 nan 8.190 nan 0.000 0.428 852 E N 4.833 125.021 120.200 -0.019 0.000 2.255 852 E HA 0.330 4.680 4.350 -0.001 0.000 0.256 852 E C -1.824 174.712 176.600 -0.106 0.000 0.887 852 E CA -0.305 56.092 56.400 -0.005 0.000 0.782 852 E CB 1.670 31.401 29.700 0.050 0.000 1.214 852 E HN 0.637 nan 8.360 nan 0.000 0.417 853 W N 2.974 124.296 121.300 0.037 0.000 2.381 853 W HA 0.151 4.811 4.660 -0.001 0.000 0.329 853 W C 1.763 178.296 176.519 0.025 0.000 1.157 853 W CA -0.493 56.873 57.345 0.035 0.000 1.240 853 W CB 0.608 30.087 29.460 0.031 0.000 1.199 853 W HN 0.513 nan 8.180 nan 0.000 0.579 854 N N 0.458 119.319 118.700 0.268 0.000 2.270 854 N HA -0.117 4.622 4.740 -0.001 0.000 0.181 854 N C -0.225 175.374 175.510 0.148 0.000 1.016 854 N CA 1.302 54.446 53.050 0.156 0.000 0.870 854 N CB 0.091 38.643 38.487 0.108 0.000 0.979 854 N HN 0.487 nan 8.380 nan 0.000 0.431 855 D N -1.555 118.952 120.400 0.179 0.000 2.622 855 D HA 0.455 5.095 4.640 -0.001 0.000 0.255 855 D C -1.712 174.536 176.300 -0.087 0.000 1.246 855 D CA -0.582 53.449 54.000 0.052 0.000 0.795 855 D CB 1.475 42.293 40.800 0.030 0.000 1.369 855 D HN 0.036 nan 8.370 nan 0.000 0.425 856 N N -0.161 118.353 118.700 -0.309 0.000 3.339 856 N HA 0.513 5.252 4.740 -0.001 0.000 0.275 856 N C -1.381 173.672 175.510 -0.761 0.000 1.514 856 N CA 0.363 52.992 53.050 -0.701 0.000 0.879 856 N CB 1.324 39.148 38.487 -1.104 0.000 1.557 856 N HN 0.913 nan 8.380 nan 0.000 0.524 857 A N -0.193 122.011 122.820 -1.028 0.000 2.610 857 A HA -0.126 4.194 4.320 -0.001 0.000 0.299 857 A C 0.352 177.542 177.584 -0.657 0.000 1.487 857 A CA 1.085 52.488 52.037 -1.056 0.000 0.743 857 A CB -2.512 15.853 19.000 -1.057 0.000 1.070 857 A HN 1.160 nan 8.150 nan 0.000 0.439 858 V N -2.431 117.195 119.914 -0.481 0.000 2.997 858 V HA 0.914 5.034 4.120 -0.001 0.000 0.311 858 V C 0.421 176.406 176.094 -0.182 0.000 1.066 858 V CA -0.044 62.113 62.300 -0.239 0.000 1.039 858 V CB 2.006 33.729 31.823 -0.167 0.000 1.081 858 V HN 1.065 nan 8.190 nan 0.000 0.467 859 S N 3.439 119.132 115.700 -0.012 0.000 2.557 859 S HA 0.784 5.253 4.470 -0.001 0.000 0.291 859 S C -0.774 173.931 174.600 0.175 0.000 1.116 859 S CA -0.518 57.721 58.200 0.065 0.000 0.992 859 S CB 1.162 64.500 63.200 0.229 0.000 1.028 859 S HN 0.733 nan 8.310 nan 0.000 0.484 860 L N 2.327 123.591 121.223 0.068 0.000 2.409 860 L HA 0.518 4.858 4.340 -0.001 0.000 0.272 860 L C -0.542 176.369 176.870 0.069 0.000 0.980 860 L CA -0.566 54.362 54.840 0.146 0.000 0.826 860 L CB 1.303 43.391 42.059 0.048 0.000 1.268 860 L HN 0.558 nan 8.230 nan 0.000 0.407 861 W N 2.543 123.822 121.300 -0.035 0.000 2.129 861 W HA 0.245 4.905 4.660 -0.001 0.000 0.349 861 W C -2.026 174.473 176.519 -0.033 0.000 1.279 861 W CA -1.463 55.844 57.345 -0.063 0.000 1.306 861 W CB 1.019 30.421 29.460 -0.097 0.000 1.140 861 W HN 0.133 nan 8.180 nan 0.000 0.613 862 P HA -0.029 nan 4.420 nan 0.000 0.261 862 P C 0.577 177.926 177.300 0.082 0.000 1.173 862 P CA 2.103 65.237 63.100 0.058 0.000 0.760 862 P CB 0.100 31.829 31.700 0.048 0.000 0.783 863 G N 1.859 110.690 108.800 0.051 0.000 2.245 863 G HA2 -0.275 3.685 3.960 -0.001 0.000 0.264 863 G HA3 -0.275 3.685 3.960 -0.001 0.000 0.264 863 G C 0.120 175.054 174.900 0.056 0.000 0.985 863 G CA -0.114 45.015 45.100 0.049 0.000 0.625 863 G HN 0.566 nan 8.290 nan 0.000 0.536 864 E N 0.706 120.954 120.200 0.079 0.000 2.366 864 E HA 0.506 4.855 4.350 -0.001 0.000 0.266 864 E C -0.198 176.435 176.600 0.056 0.000 1.051 864 E CA 0.389 56.838 56.400 0.081 0.000 0.884 864 E CB 0.797 30.575 29.700 0.129 0.000 1.006 864 E HN 0.166 nan 8.360 nan 0.000 0.417 865 T N 1.201 115.784 114.554 0.048 0.000 2.876 865 T HA 0.394 4.743 4.350 -0.001 0.000 0.289 865 T C -0.595 174.125 174.700 0.034 0.000 1.014 865 T CA -0.559 61.561 62.100 0.033 0.000 0.986 865 T CB 1.931 70.816 68.868 0.028 0.000 1.021 865 T HN 0.321 nan 8.240 nan 0.000 0.458 866 T N 1.388 115.957 114.554 0.025 0.000 2.900 866 T HA 0.632 4.982 4.350 -0.001 0.000 0.295 866 T C -1.067 173.650 174.700 0.029 0.000 1.044 866 T CA -0.412 61.703 62.100 0.026 0.000 0.995 866 T CB 1.405 70.284 68.868 0.019 0.000 1.072 866 T HN 0.542 nan 8.240 nan 0.000 0.473 867 T N 4.602 119.179 114.554 0.039 0.000 2.770 867 T HA 0.635 4.985 4.350 -0.001 0.000 0.283 867 T C -0.541 174.206 174.700 0.078 0.000 0.988 867 T CA -0.511 61.621 62.100 0.053 0.000 0.957 867 T CB 0.443 69.338 68.868 0.044 0.000 0.930 867 T HN 0.392 nan 8.240 nan 0.000 0.443 868 L N 2.018 123.317 121.223 0.126 0.000 2.319 868 L HA 0.748 5.088 4.340 -0.001 0.000 0.267 868 L C 0.240 177.261 176.870 0.253 0.000 1.011 868 L CA -0.895 54.078 54.840 0.222 0.000 0.818 868 L CB 2.180 44.411 42.059 0.287 0.000 1.316 868 L HN 0.496 nan 8.230 nan 0.000 0.432 869 T N 1.210 115.908 114.554 0.239 0.000 2.928 869 T HA 0.681 5.030 4.350 -0.001 0.000 0.296 869 T C -0.948 173.641 174.700 -0.185 0.000 1.000 869 T CA -0.419 61.698 62.100 0.028 0.000 0.989 869 T CB 1.662 70.545 68.868 0.026 0.000 1.005 869 T HN 0.668 nan 8.240 nan 0.000 0.442 870 A N 3.681 126.166 122.820 -0.558 0.000 2.331 870 A HA 0.841 5.161 4.320 -0.001 0.000 0.320 870 A C -0.544 176.821 177.584 -0.364 0.000 1.138 870 A CA -0.805 50.676 52.037 -0.927 0.000 0.790 870 A CB 1.201 19.132 19.000 -1.782 0.000 1.206 870 A HN 0.715 nan 8.150 nan 0.000 0.470 871 K N 1.745 122.002 120.400 -0.238 0.000 2.324 871 K HA 0.747 5.066 4.320 -0.001 0.000 0.253 871 K C -1.424 175.165 176.600 -0.019 0.000 0.932 871 K CA -0.510 55.668 56.287 -0.182 0.000 0.799 871 K CB 1.198 33.600 32.500 -0.163 0.000 1.154 871 K HN 0.888 nan 8.250 nan 0.000 0.425 872 Y N -1.168 119.051 120.300 -0.135 0.000 2.713 872 Y HA 0.444 4.993 4.550 -0.001 0.000 0.335 872 Y C -1.118 174.738 175.900 -0.073 0.000 1.222 872 Y CA -1.530 56.513 58.100 -0.095 0.000 1.061 872 Y CB 0.844 39.245 38.460 -0.098 0.000 1.314 872 Y HN 0.352 nan 8.280 nan 0.000 0.453 873 R N 1.033 121.577 120.500 0.073 0.000 2.370 873 R HA 0.194 4.534 4.340 -0.001 0.000 0.309 873 R C 0.474 176.801 176.300 0.045 0.000 1.059 873 R CA 0.514 56.614 56.100 -0.000 0.000 0.981 873 R CB 0.899 31.211 30.300 0.020 0.000 0.972 873 R HN 0.947 nan 8.270 nan 0.000 0.437 874 T N 2.308 116.824 114.554 -0.064 0.000 2.721 874 T HA -0.297 4.052 4.350 -0.001 0.000 0.268 874 T C 1.895 176.624 174.700 0.047 0.000 1.038 874 T CA 1.927 64.018 62.100 -0.016 0.000 1.145 874 T CB -0.067 68.765 68.868 -0.059 0.000 0.858 874 T HN 0.764 nan 8.240 nan 0.000 0.459 875 A N 1.650 124.486 122.820 0.026 0.000 2.019 875 A HA -0.142 4.177 4.320 -0.001 0.000 0.219 875 A C 2.022 179.629 177.584 0.039 0.000 1.164 875 A CA 1.511 53.563 52.037 0.025 0.000 0.644 875 A CB -0.450 18.555 19.000 0.010 0.000 0.805 875 A HN 0.351 nan 8.150 nan 0.000 0.449 876 D N -0.523 119.917 120.400 0.066 0.000 2.348 876 D HA -0.035 4.604 4.640 -0.001 0.000 0.216 876 D C 1.404 177.729 176.300 0.041 0.000 0.970 876 D CA 0.289 54.321 54.000 0.054 0.000 0.889 876 D CB 0.021 40.861 40.800 0.067 0.000 0.912 876 D HN 0.227 nan 8.370 nan 0.000 0.524 877 L N 0.762 122.031 121.223 0.076 0.000 2.275 877 L HA -0.036 4.303 4.340 -0.001 0.000 0.215 877 L C 0.838 177.719 176.870 0.018 0.000 1.119 877 L CA 0.988 55.856 54.840 0.047 0.000 0.790 877 L CB -0.652 41.465 42.059 0.097 0.000 0.919 877 L HN 0.022 nan 8.230 nan 0.000 0.443 878 K N -0.330 120.081 120.400 0.018 0.000 3.035 878 K HA -0.255 4.064 4.320 -0.001 0.000 0.262 878 K C 1.045 177.648 176.600 0.005 0.000 1.024 878 K CA 0.329 56.620 56.287 0.006 0.000 0.748 878 K CB -1.896 30.602 32.500 -0.004 0.000 1.247 878 K HN 0.531 nan 8.250 nan 0.000 0.482 879 G N -0.902 107.905 108.800 0.011 0.000 2.195 879 G HA2 -0.334 3.625 3.960 -0.001 0.000 0.246 879 G HA3 -0.334 3.625 3.960 -0.001 0.000 0.246 879 G C 0.107 175.012 174.900 0.008 0.000 0.984 879 G CA 0.272 45.376 45.100 0.008 0.000 0.633 879 G HN 0.573 nan 8.290 nan 0.000 0.525 880 S N 0.532 116.238 115.700 0.009 0.000 2.601 880 S HA 0.554 5.024 4.470 -0.001 0.000 0.271 880 S C 0.785 175.395 174.600 0.017 0.000 1.305 880 S CA -0.160 58.044 58.200 0.006 0.000 1.022 880 S CB 0.532 63.730 63.200 -0.004 0.000 0.940 880 S HN 0.393 nan 8.310 nan 0.000 0.525 881 K N 3.392 123.800 120.400 0.013 0.000 2.258 881 K HA 0.300 4.619 4.320 -0.001 0.000 0.264 881 K C -2.343 174.272 176.600 0.025 0.000 1.007 881 K CA -1.444 54.855 56.287 0.021 0.000 0.941 881 K CB 0.133 32.641 32.500 0.014 0.000 0.966 881 K HN 0.512 nan 8.250 nan 0.000 0.480 882 P HA 0.179 nan 4.420 nan 0.000 0.286 882 P C -0.942 176.373 177.300 0.025 0.000 1.261 882 P CA -0.438 62.685 63.100 0.039 0.000 0.821 882 P CB 1.470 33.237 31.700 0.110 0.000 1.013 883 S N 0.297 116.002 115.700 0.008 0.000 2.709 883 S HA 0.631 5.100 4.470 -0.001 0.000 0.302 883 S C -0.722 173.894 174.600 0.027 0.000 1.127 883 S CA -0.657 57.553 58.200 0.016 0.000 0.905 883 S CB 1.463 64.666 63.200 0.005 0.000 1.151 883 S HN 0.222 nan 8.310 nan 0.000 0.510 884 V N 1.830 121.770 119.914 0.043 0.000 2.443 884 V HA 0.459 4.578 4.120 -0.001 0.000 0.293 884 V C -0.149 175.965 176.094 0.034 0.000 1.021 884 V CA -0.673 61.671 62.300 0.073 0.000 0.848 884 V CB 1.358 33.259 31.823 0.129 0.000 0.998 884 V HN 0.735 nan 8.190 nan 0.000 0.424 885 R N 4.501 125.014 120.500 0.021 0.000 2.298 885 R HA 0.628 4.967 4.340 -0.001 0.000 0.310 885 R C -1.142 175.137 176.300 -0.036 0.000 1.068 885 R CA -0.229 55.865 56.100 -0.011 0.000 0.957 885 R CB 0.553 30.844 30.300 -0.014 0.000 1.003 885 R HN 0.684 nan 8.270 nan 0.000 0.454 886 I N 3.100 123.639 120.570 -0.052 0.000 2.410 886 I HA 0.236 4.405 4.170 -0.001 0.000 0.286 886 I C -0.778 175.287 176.117 -0.087 0.000 1.009 886 I CA -0.230 61.018 61.300 -0.087 0.000 1.111 886 I CB 2.233 40.186 38.000 -0.077 0.000 1.262 886 I HN 0.521 nan 8.210 nan 0.000 0.443 887 S N 3.697 119.333 115.700 -0.106 0.000 2.561 887 S HA 0.798 5.267 4.470 -0.001 0.000 0.303 887 S C -0.071 174.469 174.600 -0.100 0.000 1.110 887 S CA -0.793 57.353 58.200 -0.090 0.000 1.034 887 S CB 1.899 65.058 63.200 -0.070 0.000 1.010 887 S HN 0.776 nan 8.310 nan 0.000 0.482 888 G N 0.822 109.576 108.800 -0.077 0.000 2.453 888 G HA2 0.442 4.402 3.960 -0.001 0.000 0.323 888 G HA3 0.442 4.402 3.960 -0.001 0.000 0.323 888 G C 0.342 175.259 174.900 0.029 0.000 1.198 888 G CA -0.887 44.187 45.100 -0.043 0.000 0.959 888 G HN 0.764 nan 8.290 nan 0.000 0.482 889 W N 2.030 123.281 121.300 -0.081 0.000 2.304 889 W HA -0.164 4.496 4.660 -0.001 0.000 0.315 889 W C 0.853 177.362 176.519 -0.017 0.000 1.233 889 W CA 1.995 59.314 57.345 -0.043 0.000 1.261 889 W CB 0.231 29.695 29.460 0.007 0.000 1.150 889 W HN 0.646 nan 8.180 nan 0.000 0.494 890 N N -0.464 118.352 118.700 0.193 0.000 2.351 890 N HA -0.009 4.730 4.740 -0.001 0.000 0.254 890 N C 0.332 175.842 175.510 0.001 0.000 1.241 890 N CA 0.874 53.968 53.050 0.072 0.000 0.883 890 N CB -0.495 38.109 38.487 0.195 0.000 1.202 890 N HN 0.072 nan 8.380 nan 0.000 0.512 891 T N -4.553 109.984 114.554 -0.028 0.000 3.111 891 T HA 0.478 4.827 4.350 -0.001 0.000 0.284 891 T C 0.867 175.528 174.700 -0.064 0.000 0.983 891 T CA 0.257 62.329 62.100 -0.047 0.000 0.900 891 T CB 0.271 69.111 68.868 -0.048 0.000 1.132 891 T HN 0.417 nan 8.240 nan 0.000 0.531 892 G N 1.233 109.983 108.800 -0.085 0.000 2.645 892 G HA2 -0.059 3.901 3.960 -0.001 0.000 0.239 892 G HA3 -0.059 3.901 3.960 -0.001 0.000 0.239 892 G C -0.501 174.351 174.900 -0.080 0.000 1.331 892 G CA -0.284 44.763 45.100 -0.088 0.000 0.890 892 G HN 0.807 nan 8.290 nan 0.000 0.572 893 T N 1.228 115.739 114.554 -0.072 0.000 2.886 893 T HA 0.666 5.015 4.350 -0.001 0.000 0.292 893 T C -0.093 174.576 174.700 -0.052 0.000 1.012 893 T CA 0.107 62.169 62.100 -0.063 0.000 0.982 893 T CB 1.744 70.574 68.868 -0.063 0.000 1.018 893 T HN 0.987 nan 8.240 nan 0.000 0.451 894 Q N 0.112 119.884 119.800 -0.046 0.000 2.421 894 Q HA 0.775 5.115 4.340 -0.001 0.000 0.280 894 Q C -1.129 174.853 176.000 -0.030 0.000 1.085 894 Q CA -1.104 54.677 55.803 -0.036 0.000 0.807 894 Q CB 2.148 30.866 28.738 -0.033 0.000 1.405 894 Q HN 0.574 nan 8.270 nan 0.000 0.419 895 T N -0.594 113.946 114.554 -0.022 0.000 2.841 895 T HA 0.653 5.002 4.350 -0.001 0.000 0.283 895 T C -0.446 174.250 174.700 -0.007 0.000 1.000 895 T CA -0.368 61.724 62.100 -0.013 0.000 0.977 895 T CB 1.474 70.335 68.868 -0.012 0.000 0.979 895 T HN 0.869 nan 8.240 nan 0.000 0.446 896 V N 1.898 121.813 119.914 0.002 0.000 2.715 896 V HA 0.907 5.026 4.120 -0.001 0.000 0.310 896 V C -2.800 173.302 176.094 0.013 0.000 1.054 896 V CA -2.858 59.445 62.300 0.006 0.000 0.928 896 V CB 1.551 33.380 31.823 0.009 0.000 1.007 896 V HN 0.833 nan 8.190 nan 0.000 0.437 897 P HA 0.389 nan 4.420 nan 0.000 0.275 897 P C -0.100 177.214 177.300 0.023 0.000 1.228 897 P CA -0.177 62.931 63.100 0.014 0.000 0.786 897 P CB 1.804 33.510 31.700 0.009 0.000 0.927 898 A N 0.159 122.997 122.820 0.030 0.000 2.538 898 A HA 0.581 4.901 4.320 -0.001 0.000 0.269 898 A C 0.520 178.124 177.584 0.033 0.000 1.231 898 A CA 0.823 52.883 52.037 0.039 0.000 0.948 898 A CB -0.601 18.434 19.000 0.059 0.000 1.110 898 A HN 0.718 nan 8.150 nan 0.000 0.529 899 D N 0.000 120.415 120.400 0.025 0.000 6.856 899 D HA 0.000 4.639 4.640 -0.001 0.000 0.175 899 D CA 0.000 nan 54.000 nan 0.000 0.868 899 D CB 0.000 nan 40.800 nan 0.000 0.688 899 D HN 0.000 nan 8.370 nan 0.000 0.683