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 2zuw_1_B DATA FIRST_RESID 3 DATA SEQUENCE STGRFTLPSE ENFAEKTKEL AELWGADAIR XXXXXXXXXX XLALGKKIYN DATA SEQUENCE AYFPTRAHNE WITLHMDETP QVYLLTDRIL AESDTVDIPL MESFFAEQLK DATA SEQUENCE PNRDADPHKY WEVVDRTTGE VVDSANWTLD ADEDTVHVSG VAAWHEYTVS DATA SEQUENCE FLAYIIWDPV EMYNHLTNDW GDKEHEIPFD IYHPATRKFV FDTFEQWLKD DATA SEQUENCE SPQTDVVRFT TFFYQFTLLF DEKRREKVVD WFGCACTVSP RALDDFEAKY DATA SEQUENCE GYRLRPEDFV DGGAYNSAWR VPRKAQRDWI DFLSGFVREN VKQLADMSHA DATA SEQUENCE AGKEAMMFLG DQWIGTEPYK DGFDELGLDA VVGSIGDGTT TRMIADIPGV DATA SEQUENCE KYTEGRFLPY FFPDXXXXGN DPSIEGLDNW RKARRAILRS PISRMGYGGY DATA SEQUENCE LSLAAKFPKF VDTVTHIANE FRDIHDRTGG VAAEGELNVA ILNSWGKMRS DATA SEQUENCE WMAFTVAHAL PNKQTYSYYG ILESLSGMRV NVRFISFDDV LAHGIDSDID DATA SEQUENCE VIINGGPVDT AFTGGDVWTN PKLVETVRAW VRGGGAFVGV GEPSSAPRFQ DATA SEQUENCE TGRFFQLADV IGVDEERYQT LSVDKYFPPV VPDHFITADV PVDPAAREAW DATA SEQUENCE EQAGYRIPLS GCGGGQSIKP LGGIDFGEPV LNTYPVNENV TLLRADGGQV DATA SEQUENCE QLATNDYGKG RGVYISGLPY SAANARLLER VLFYASHNED KYAAWSSSNP DATA SEQUENCE ECEVAHFPEQ GLYCVINNTD QPQKTTVTLA DGTTEDFDLP DSGIAWREA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 S HA 0.000 nan 4.470 nan 0.000 0.327 3 S C 0.000 174.580 174.600 -0.033 0.000 1.055 3 S CA 0.000 58.180 58.200 -0.034 0.000 1.107 3 S CB 0.000 63.182 63.200 -0.030 0.000 0.593 4 T N -0.077 114.459 114.554 -0.028 0.000 2.924 4 T HA 0.703 5.048 4.350 -0.009 0.000 0.291 4 T C -0.001 174.688 174.700 -0.020 0.000 1.045 4 T CA 0.897 62.982 62.100 -0.025 0.000 1.015 4 T CB 0.947 69.803 68.868 -0.020 0.000 1.103 4 T HN 1.991 nan 8.240 nan 0.000 0.496 5 G N 2.215 111.012 108.800 -0.005 0.000 2.447 5 G HA2 0.016 3.970 3.960 -0.009 0.000 0.220 5 G HA3 0.016 3.970 3.960 -0.009 0.000 0.220 5 G C -0.487 174.419 174.900 0.009 0.000 1.261 5 G CA -0.135 44.965 45.100 0.000 0.000 1.000 5 G HN 1.023 nan 8.290 nan 0.000 0.515 6 R N -1.948 118.534 120.500 -0.030 0.000 3.516 6 R HA -0.207 4.128 4.340 -0.009 0.000 0.271 6 R C -0.320 175.957 176.300 -0.038 0.000 1.098 6 R CA 1.488 57.547 56.100 -0.067 0.000 0.732 6 R CB -1.701 28.541 30.300 -0.095 0.000 1.152 6 R HN 1.332 nan 8.270 nan 0.000 0.455 7 F N -0.821 119.034 119.950 -0.159 0.000 2.588 7 F HA 0.286 4.807 4.527 -0.009 0.000 0.314 7 F C -0.581 175.153 175.800 -0.110 0.000 1.134 7 F CA -0.475 57.428 58.000 -0.162 0.000 0.961 7 F CB 1.993 40.925 39.000 -0.112 0.000 1.239 7 F HN -0.145 nan 8.300 nan 0.000 0.448 8 T N 7.215 121.311 114.554 -0.763 0.000 2.821 8 T HA 0.418 4.762 4.350 -0.009 0.000 0.307 8 T C -0.924 173.388 174.700 -0.646 0.000 1.034 8 T CA -0.316 61.418 62.100 -0.609 0.000 0.953 8 T CB 0.797 69.322 68.868 -0.572 0.000 0.968 8 T HN 0.531 nan 8.240 nan 0.000 0.462 9 L N 7.424 128.517 121.223 -0.217 0.000 2.265 9 L HA 0.513 4.848 4.340 -0.009 0.000 0.288 9 L C -2.269 174.615 176.870 0.023 0.000 1.058 9 L CA -1.872 53.033 54.840 0.108 0.000 0.809 9 L CB 0.871 43.160 42.059 0.382 0.000 1.179 9 L HN 0.284 nan 8.230 nan 0.000 0.429 10 P HA 0.252 nan 4.420 nan 0.000 0.276 10 P C -1.091 176.278 177.300 0.114 0.000 1.244 10 P CA -0.393 62.721 63.100 0.022 0.000 0.801 10 P CB 1.808 33.486 31.700 -0.038 0.000 1.006 11 S N -0.589 115.167 115.700 0.093 0.000 2.900 11 S HA 0.685 5.149 4.470 -0.009 0.000 0.320 11 S C -1.147 173.530 174.600 0.128 0.000 1.130 11 S CA -0.523 57.764 58.200 0.145 0.000 0.863 11 S CB 1.016 64.294 63.200 0.131 0.000 1.295 11 S HN 0.684 nan 8.310 nan 0.000 0.596 12 E N -0.332 119.967 120.200 0.165 0.000 2.427 12 E HA 0.372 4.717 4.350 -0.009 0.000 0.279 12 E C -1.483 175.216 176.600 0.166 0.000 1.120 12 E CA -0.929 55.559 56.400 0.147 0.000 0.869 12 E CB 0.526 30.310 29.700 0.140 0.000 1.393 12 E HN 0.461 nan 8.360 nan 0.000 0.443 13 E N 0.075 120.356 120.200 0.136 0.000 2.391 13 E HA 0.113 4.457 4.350 -0.009 0.000 0.255 13 E C -0.503 176.188 176.600 0.153 0.000 1.187 13 E CA -0.095 56.379 56.400 0.124 0.000 0.941 13 E CB 0.214 29.968 29.700 0.091 0.000 1.010 13 E HN 0.578 nan 8.360 nan 0.000 0.458 14 N N 0.042 118.819 118.700 0.129 0.000 2.708 14 N HA -0.254 4.480 4.740 -0.009 0.000 0.249 14 N C -0.589 175.062 175.510 0.235 0.000 1.097 14 N CA 0.893 54.022 53.050 0.133 0.000 0.710 14 N CB -0.901 37.646 38.487 0.100 0.000 1.032 14 N HN 0.361 nan 8.380 nan 0.000 0.551 15 F N -1.411 118.553 119.950 0.023 0.000 2.901 15 F HA 0.580 5.102 4.527 -0.009 0.000 0.329 15 F C 1.505 177.311 175.800 0.010 0.000 1.185 15 F CA 0.088 58.099 58.000 0.019 0.000 1.114 15 F CB -0.050 38.973 39.000 0.037 0.000 1.199 15 F HN 0.058 nan 8.300 nan 0.000 0.513 16 A N -0.077 122.735 122.820 -0.012 0.000 1.948 16 A HA -0.191 4.124 4.320 -0.009 0.000 0.220 16 A C 2.254 179.742 177.584 -0.161 0.000 1.177 16 A CA 2.127 54.130 52.037 -0.058 0.000 0.636 16 A CB -0.362 18.625 19.000 -0.020 0.000 0.815 16 A HN 0.354 nan 8.150 nan 0.000 0.449 17 E N -0.214 119.849 120.200 -0.227 0.000 2.046 17 E HA -0.107 4.238 4.350 -0.009 0.000 0.190 17 E C 1.924 178.315 176.600 -0.347 0.000 0.982 17 E CA 0.856 57.113 56.400 -0.239 0.000 0.800 17 E CB -0.188 29.398 29.700 -0.191 0.000 0.756 17 E HN 0.406 nan 8.360 nan 0.000 0.449 18 K N 0.198 120.214 120.400 -0.640 0.000 2.217 18 K HA -0.058 4.257 4.320 -0.009 0.000 0.202 18 K C 2.212 178.506 176.600 -0.510 0.000 1.051 18 K CA 1.360 57.213 56.287 -0.724 0.000 0.952 18 K CB -0.497 31.210 32.500 -1.322 0.000 0.736 18 K HN 0.295 nan 8.250 nan 0.000 0.453 19 T N -0.735 113.563 114.554 -0.427 0.000 2.788 19 T HA -0.131 4.213 4.350 -0.009 0.000 0.268 19 T C 1.937 176.558 174.700 -0.132 0.000 1.044 19 T CA 1.192 63.211 62.100 -0.135 0.000 1.139 19 T CB 0.018 68.892 68.868 0.010 0.000 0.867 19 T HN 0.138 nan 8.240 nan 0.000 0.454 20 K N 0.927 121.235 120.400 -0.153 0.000 2.057 20 K HA -0.153 4.162 4.320 -0.009 0.000 0.207 20 K C 2.481 178.994 176.600 -0.144 0.000 1.049 20 K CA 1.637 57.852 56.287 -0.120 0.000 0.931 20 K CB -0.226 32.209 32.500 -0.109 0.000 0.714 20 K HN 0.621 nan 8.250 nan 0.000 0.440 21 E N 0.584 120.670 120.200 -0.190 0.000 2.072 21 E HA -0.141 4.203 4.350 -0.009 0.000 0.190 21 E C 2.096 178.533 176.600 -0.271 0.000 0.982 21 E CA 0.689 56.969 56.400 -0.199 0.000 0.803 21 E CB 0.052 29.632 29.700 -0.200 0.000 0.755 21 E HN 0.325 nan 8.360 nan 0.000 0.453 22 L N 0.264 121.276 121.223 -0.352 0.000 2.217 22 L HA -0.044 4.291 4.340 -0.009 0.000 0.211 22 L C 2.624 179.198 176.870 -0.493 0.000 1.107 22 L CA 0.730 55.189 54.840 -0.636 0.000 0.783 22 L CB -0.402 41.237 42.059 -0.701 0.000 0.919 22 L HN 0.164 nan 8.230 nan 0.000 0.442 23 A N 0.519 123.217 122.820 -0.202 0.000 1.898 23 A HA -0.233 4.082 4.320 -0.009 0.000 0.216 23 A C 2.203 179.747 177.584 -0.066 0.000 1.181 23 A CA 1.707 53.715 52.037 -0.049 0.000 0.620 23 A CB -0.380 18.619 19.000 -0.001 0.000 0.819 23 A HN 0.404 nan 8.150 nan 0.000 0.442 24 E N -0.348 119.790 120.200 -0.103 0.000 2.077 24 E HA -0.182 4.162 4.350 -0.009 0.000 0.193 24 E C 1.729 178.277 176.600 -0.086 0.000 0.989 24 E CA 1.397 57.748 56.400 -0.083 0.000 0.800 24 E CB -0.351 29.297 29.700 -0.086 0.000 0.746 24 E HN 0.374 nan 8.360 nan 0.000 0.452 25 L N -0.589 120.544 121.223 -0.150 0.000 2.109 25 L HA -0.025 4.310 4.340 -0.009 0.000 0.207 25 L C 1.261 178.172 176.870 0.068 0.000 1.086 25 L CA 1.280 56.059 54.840 -0.101 0.000 0.760 25 L CB -0.259 41.669 42.059 -0.220 0.000 0.910 25 L HN 0.317 nan 8.230 nan 0.000 0.437 26 W N -0.010 121.149 121.300 -0.235 0.000 3.278 26 W HA 0.465 5.120 4.660 -0.009 0.000 0.308 26 W C 1.449 177.690 176.519 -0.465 0.000 1.253 26 W CA -0.141 56.926 57.345 -0.462 0.000 1.759 26 W CB -1.222 27.794 29.460 -0.739 0.000 1.093 26 W HN 0.280 nan 8.180 nan 0.000 0.648 27 G N 1.655 110.425 108.800 -0.050 0.000 2.366 27 G HA2 -0.049 3.905 3.960 -0.009 0.000 0.299 27 G HA3 -0.049 3.905 3.960 -0.009 0.000 0.299 27 G C 0.442 175.347 174.900 0.008 0.000 1.020 27 G CA 0.169 45.244 45.100 -0.041 0.000 1.026 27 G HN 0.432 nan 8.290 nan 0.000 0.512 28 A N 0.061 122.933 122.820 0.088 0.000 2.354 28 A HA 0.631 4.945 4.320 -0.009 0.000 0.269 28 A C 1.004 178.672 177.584 0.140 0.000 1.109 28 A CA 0.376 52.576 52.037 0.273 0.000 0.800 28 A CB 0.571 19.835 19.000 0.441 0.000 1.045 28 A HN 0.808 nan 8.150 nan 0.000 0.489 29 D N -0.212 120.260 120.400 0.120 0.000 2.563 29 D HA 0.474 5.109 4.640 -0.009 0.000 0.237 29 D C -0.181 176.140 176.300 0.035 0.000 1.282 29 D CA 0.626 54.659 54.000 0.055 0.000 0.816 29 D CB 0.173 40.991 40.800 0.030 0.000 1.066 29 D HN 0.731 nan 8.370 nan 0.000 0.501 30 A N 0.100 122.924 122.820 0.008 0.000 2.589 30 A HA 0.675 4.989 4.320 -0.009 0.000 0.296 30 A C -1.639 175.854 177.584 -0.152 0.000 1.062 30 A CA -0.780 51.205 52.037 -0.088 0.000 0.686 30 A CB 1.133 20.003 19.000 -0.215 0.000 1.282 30 A HN 0.133 nan 8.150 nan 0.000 0.404 31 I N 1.742 122.229 120.570 -0.138 0.000 2.582 31 I HA 0.601 4.765 4.170 -0.009 0.000 0.292 31 I C 0.218 176.281 176.117 -0.090 0.000 1.066 31 I CA -0.670 60.579 61.300 -0.086 0.000 1.053 31 I CB 2.368 40.376 38.000 0.013 0.000 1.241 31 I HN 0.956 nan 8.210 nan 0.000 0.421 45 A N 0.136 122.956 122.820 0.001 0.000 2.263 45 A HA 0.111 4.426 4.320 -0.009 0.000 0.205 45 A C 1.625 179.206 177.584 -0.005 0.000 1.226 45 A CA 0.829 52.864 52.037 -0.004 0.000 0.810 45 A CB -0.774 18.222 19.000 -0.007 0.000 0.784 45 A HN 0.419 nan 8.150 nan 0.000 0.486 46 L N -1.390 119.832 121.223 -0.001 0.000 2.478 46 L HA 0.098 4.432 4.340 -0.009 0.000 0.223 46 L C 1.796 178.666 176.870 0.001 0.000 1.140 46 L CA 0.854 55.692 54.840 -0.003 0.000 0.842 46 L CB -0.084 41.974 42.059 -0.001 0.000 0.953 46 L HN 0.580 nan 8.230 nan 0.000 0.452 47 G N -0.108 108.695 108.800 0.005 0.000 2.160 47 G HA2 -0.263 3.692 3.960 -0.009 0.000 0.244 47 G HA3 -0.263 3.692 3.960 -0.009 0.000 0.244 47 G C 0.093 175.003 174.900 0.017 0.000 1.022 47 G CA 0.054 45.159 45.100 0.008 0.000 0.741 47 G HN 0.152 nan 8.290 nan 0.000 0.508 48 K N 0.044 120.459 120.400 0.024 0.000 2.095 48 K HA 0.596 4.910 4.320 -0.009 0.000 0.252 48 K C 0.525 177.157 176.600 0.054 0.000 0.977 48 K CA -1.020 55.288 56.287 0.035 0.000 0.900 48 K CB 0.939 33.459 32.500 0.033 0.000 1.060 48 K HN 0.235 nan 8.250 nan 0.000 0.449 49 K N 1.850 122.295 120.400 0.075 0.000 2.379 49 K HA 0.187 4.502 4.320 -0.009 0.000 0.284 49 K C -0.656 176.047 176.600 0.172 0.000 1.044 49 K CA -0.248 56.119 56.287 0.133 0.000 0.974 49 K CB 0.300 32.910 32.500 0.182 0.000 0.962 49 K HN 0.337 nan 8.250 nan 0.000 0.474 50 I N 5.437 126.120 120.570 0.189 0.000 2.339 50 I HA 0.168 4.333 4.170 -0.009 0.000 0.290 50 I C -0.885 175.437 176.117 0.342 0.000 0.994 50 I CA -0.457 60.965 61.300 0.203 0.000 1.191 50 I CB 0.773 38.841 38.000 0.114 0.000 1.343 50 I HN 0.463 nan 8.210 nan 0.000 0.458 51 Y N 5.183 125.513 120.300 0.050 0.000 2.308 51 Y HA 0.433 4.978 4.550 -0.009 0.000 0.329 51 Y C 0.466 176.399 175.900 0.056 0.000 1.111 51 Y CA -1.041 57.087 58.100 0.047 0.000 1.179 51 Y CB 0.818 39.294 38.460 0.027 0.000 1.201 51 Y HN 0.441 nan 8.280 nan 0.000 0.483 52 N N 1.660 120.471 118.700 0.186 0.000 2.399 52 N HA 0.482 5.217 4.740 -0.009 0.000 0.284 52 N C -0.968 174.520 175.510 -0.037 0.000 1.025 52 N CA -0.471 52.677 53.050 0.163 0.000 0.885 52 N CB 2.042 40.764 38.487 0.391 0.000 1.339 52 N HN 0.742 nan 8.380 nan 0.000 0.487 53 A N 2.746 125.487 122.820 -0.132 0.000 2.520 53 A HA 0.149 4.464 4.320 -0.009 0.000 0.245 53 A C -0.946 176.140 177.584 -0.831 0.000 1.072 53 A CA 0.540 52.308 52.037 -0.448 0.000 0.761 53 A CB -0.074 18.709 19.000 -0.361 0.000 1.004 53 A HN 0.669 nan 8.150 nan 0.000 0.499 54 Y N 1.368 120.986 120.300 -1.137 0.000 2.425 54 Y HA 0.585 5.130 4.550 -0.009 0.000 0.344 54 Y C -1.240 174.080 175.900 -0.967 0.000 0.969 54 Y CA -1.064 56.342 58.100 -1.156 0.000 1.052 54 Y CB 1.787 39.587 38.460 -1.100 0.000 1.215 54 Y HN 0.554 nan 8.280 nan 0.000 0.451 55 F N 7.097 126.672 119.950 -0.624 0.000 2.449 55 F HA 0.404 4.925 4.527 -0.009 0.000 0.344 55 F C -1.999 173.634 175.800 -0.278 0.000 1.180 55 F CA -2.540 55.257 58.000 -0.338 0.000 1.209 55 F CB 0.777 39.613 39.000 -0.273 0.000 1.440 55 F HN 0.400 nan 8.300 nan 0.000 0.526 56 P HA -0.190 nan 4.420 nan 0.000 0.217 56 P C 1.409 178.813 177.300 0.174 0.000 1.151 56 P CA 1.905 65.108 63.100 0.171 0.000 0.849 56 P CB 0.069 31.898 31.700 0.215 0.000 0.787 57 T N -4.215 110.317 114.554 -0.036 0.000 3.176 57 T HA 0.306 4.651 4.350 -0.009 0.000 0.263 57 T C 0.493 174.544 174.700 -1.082 0.000 1.021 57 T CA -0.580 61.246 62.100 -0.456 0.000 0.905 57 T CB -0.282 68.458 68.868 -0.214 0.000 1.057 57 T HN 0.226 nan 8.240 nan 0.000 0.558 58 R N -1.193 118.990 120.500 -0.529 0.000 3.015 58 R HA 0.759 5.094 4.340 -0.009 0.000 0.258 58 R C -0.069 176.346 176.300 0.191 0.000 1.172 58 R CA -0.713 55.215 56.100 -0.288 0.000 1.003 58 R CB 0.041 30.239 30.300 -0.169 0.000 1.326 58 R HN 0.364 nan 8.270 nan 0.000 0.449 59 A N -0.387 122.507 122.820 0.124 0.000 3.028 59 A HA -0.141 4.174 4.320 -0.009 0.000 0.248 59 A C -0.491 176.940 177.584 -0.255 0.000 1.316 59 A CA 1.233 53.244 52.037 -0.042 0.000 1.003 59 A CB -2.439 16.495 19.000 -0.111 0.000 1.148 59 A HN 0.741 nan 8.150 nan 0.000 0.828 60 H N -0.919 118.432 119.070 0.469 0.000 2.597 60 H HA 0.187 4.737 4.556 -0.009 0.000 0.225 60 H C 0.810 176.324 175.328 0.311 0.000 1.422 60 H CA -0.231 56.066 56.048 0.416 0.000 1.335 60 H CB 0.012 30.092 29.762 0.531 0.000 1.783 60 H HN 0.384 nan 8.280 nan 0.000 0.513 61 N N 1.168 120.029 118.700 0.269 0.000 2.272 61 N HA -0.166 4.569 4.740 -0.009 0.000 0.185 61 N C 2.092 177.652 175.510 0.084 0.000 1.014 61 N CA 1.040 54.186 53.050 0.160 0.000 0.870 61 N CB 0.275 38.809 38.487 0.077 0.000 0.975 61 N HN 0.642 nan 8.380 nan 0.000 0.433 62 E N -0.025 120.244 120.200 0.115 0.000 2.150 62 E HA -0.199 4.146 4.350 -0.009 0.000 0.193 62 E C 1.812 178.415 176.600 0.004 0.000 0.985 62 E CA 0.682 57.121 56.400 0.065 0.000 0.814 62 E CB -0.779 28.996 29.700 0.125 0.000 0.752 62 E HN 0.612 nan 8.360 nan 0.000 0.466 63 W N 1.270 122.434 121.300 -0.227 0.000 2.452 63 W HA -0.051 4.603 4.660 -0.009 0.000 0.313 63 W C 1.977 178.344 176.519 -0.253 0.000 1.176 63 W CA 0.800 57.842 57.345 -0.505 0.000 1.350 63 W CB -0.371 28.217 29.460 -1.454 0.000 1.148 63 W HN 0.084 nan 8.180 nan 0.000 0.498 64 I N 2.474 122.869 120.570 -0.293 0.000 2.493 64 I HA -0.243 3.922 4.170 -0.009 0.000 0.254 64 I C 2.578 178.542 176.117 -0.255 0.000 1.160 64 I CA 2.405 63.553 61.300 -0.253 0.000 1.445 64 I CB -0.617 37.520 38.000 0.228 0.000 1.086 64 I HN 0.067 nan 8.210 nan 0.000 0.433 65 T N -1.397 113.033 114.554 -0.208 0.000 2.849 65 T HA -0.165 4.180 4.350 -0.009 0.000 0.270 65 T C 1.687 176.192 174.700 -0.324 0.000 1.066 65 T CA 1.454 63.427 62.100 -0.211 0.000 1.130 65 T CB -0.758 68.020 68.868 -0.150 0.000 0.864 65 T HN 0.402 nan 8.240 nan 0.000 0.481 66 L N 0.104 121.033 121.223 -0.491 0.000 2.591 66 L HA 0.234 4.568 4.340 -0.009 0.000 0.228 66 L C 0.980 177.196 176.870 -1.090 0.000 1.133 66 L CA 0.372 54.778 54.840 -0.723 0.000 0.880 66 L CB -0.200 41.376 42.059 -0.805 0.000 1.033 66 L HN 0.390 nan 8.230 nan 0.000 0.450 67 H N -0.767 117.978 119.070 -0.542 0.000 2.901 67 H HA 0.233 4.784 4.556 -0.009 0.000 0.227 67 H C 0.984 176.120 175.328 -0.320 0.000 1.390 67 H CA -0.280 55.490 56.048 -0.465 0.000 1.120 67 H CB 0.772 30.141 29.762 -0.656 0.000 2.131 67 H HN 0.110 nan 8.280 nan 0.000 0.549 68 M N 0.975 120.424 119.600 -0.252 0.000 2.539 68 M HA -0.087 4.388 4.480 -0.009 0.000 0.261 68 M C 1.128 177.193 176.300 -0.392 0.000 1.069 68 M CA 0.993 56.124 55.300 -0.281 0.000 1.081 68 M CB -0.536 31.877 32.600 -0.312 0.000 1.412 68 M HN 0.367 nan 8.290 nan 0.000 0.482 69 D N -0.551 119.687 120.400 -0.270 0.000 2.336 69 D HA -0.076 4.559 4.640 -0.009 0.000 0.229 69 D C 0.594 176.851 176.300 -0.071 0.000 1.061 69 D CA 0.387 54.302 54.000 -0.142 0.000 0.875 69 D CB -0.364 40.421 40.800 -0.025 0.000 0.904 69 D HN 0.417 nan 8.370 nan 0.000 0.525 70 E N 0.296 120.442 120.200 -0.089 0.000 2.603 70 E HA 0.051 4.395 4.350 -0.009 0.000 0.211 70 E C 0.201 176.963 176.600 0.270 0.000 0.995 70 E CA -0.148 56.214 56.400 -0.063 0.000 0.990 70 E CB 0.668 30.354 29.700 -0.024 0.000 1.036 70 E HN 0.310 nan 8.360 nan 0.000 0.475 71 T N 0.489 115.183 114.554 0.233 0.000 2.856 71 T HA 0.174 4.518 4.350 -0.009 0.000 0.306 71 T C -2.197 172.710 174.700 0.345 0.000 1.062 71 T CA -1.564 60.711 62.100 0.292 0.000 1.083 71 T CB 0.763 69.757 68.868 0.209 0.000 0.984 71 T HN -0.180 nan 8.240 nan 0.000 0.542 72 P HA 0.203 nan 4.420 nan 0.000 0.270 72 P C -0.691 176.718 177.300 0.181 0.000 1.223 72 P CA -0.294 62.965 63.100 0.265 0.000 0.785 72 P CB 0.544 32.389 31.700 0.240 0.000 0.923 73 Q N -0.371 119.473 119.800 0.075 0.000 2.496 73 Q HA 0.762 5.097 4.340 -0.009 0.000 0.286 73 Q C -1.300 174.580 176.000 -0.200 0.000 1.103 73 Q CA -1.136 54.604 55.803 -0.105 0.000 0.813 73 Q CB 2.677 31.267 28.738 -0.248 0.000 1.444 73 Q HN 0.252 nan 8.270 nan 0.000 0.443 74 V N 0.441 120.156 119.914 -0.332 0.000 2.969 74 V HA 0.403 4.518 4.120 -0.009 0.000 0.304 74 V C -2.049 173.751 176.094 -0.491 0.000 1.192 74 V CA -0.524 61.577 62.300 -0.332 0.000 0.962 74 V CB 1.741 33.449 31.823 -0.192 0.000 1.045 74 V HN 0.753 nan 8.190 nan 0.000 0.428 75 Y N 5.835 125.900 120.300 -0.392 0.000 2.359 75 Y HA 0.565 5.110 4.550 -0.009 0.000 0.334 75 Y C 0.360 176.030 175.900 -0.382 0.000 1.058 75 Y CA -0.108 57.730 58.100 -0.437 0.000 1.244 75 Y CB 1.236 39.490 38.460 -0.344 0.000 1.187 75 Y HN 0.459 nan 8.280 nan 0.000 0.510 76 L N 5.149 126.040 121.223 -0.553 0.000 2.334 76 L HA 0.446 4.781 4.340 -0.009 0.000 0.276 76 L C -1.026 175.642 176.870 -0.337 0.000 1.014 76 L CA -1.161 53.343 54.840 -0.560 0.000 0.815 76 L CB 1.801 43.004 42.059 -1.427 0.000 1.268 76 L HN 0.445 nan 8.230 nan 0.000 0.428 77 L N 2.413 123.716 121.223 0.134 0.000 2.307 77 L HA 0.475 4.810 4.340 -0.009 0.000 0.284 77 L C 0.540 177.633 176.870 0.372 0.000 1.023 77 L CA 0.087 55.013 54.840 0.144 0.000 0.810 77 L CB 1.766 43.821 42.059 -0.007 0.000 1.231 77 L HN 0.742 nan 8.230 nan 0.000 0.423 78 T N 0.494 115.235 114.554 0.313 0.000 2.766 78 T HA 0.266 4.611 4.350 -0.009 0.000 0.295 78 T C 0.145 174.928 174.700 0.138 0.000 1.024 78 T CA -0.765 61.513 62.100 0.296 0.000 1.018 78 T CB 0.310 69.295 68.868 0.195 0.000 1.002 78 T HN 0.551 nan 8.240 nan 0.000 0.532 79 D N 0.589 121.032 120.400 0.073 0.000 2.390 79 D HA 0.150 4.785 4.640 -0.009 0.000 0.236 79 D C 0.408 176.737 176.300 0.047 0.000 1.189 79 D CA 0.136 54.156 54.000 0.033 0.000 0.887 79 D CB 0.341 41.145 40.800 0.007 0.000 1.198 79 D HN 0.434 nan 8.370 nan 0.000 0.444 80 R N 1.193 121.715 120.500 0.038 0.000 2.298 80 R HA 0.291 4.626 4.340 -0.009 0.000 0.310 80 R C -0.287 176.050 176.300 0.061 0.000 1.068 80 R CA -0.365 55.761 56.100 0.044 0.000 0.957 80 R CB 0.665 30.980 30.300 0.025 0.000 1.003 80 R HN 0.282 nan 8.270 nan 0.000 0.454 81 I N 4.558 125.183 120.570 0.092 0.000 2.404 81 I HA 0.185 4.350 4.170 -0.009 0.000 0.293 81 I C -0.220 175.986 176.117 0.149 0.000 0.992 81 I CA -1.115 60.246 61.300 0.102 0.000 1.149 81 I CB 1.397 39.451 38.000 0.089 0.000 1.315 81 I HN 0.444 nan 8.210 nan 0.000 0.446 82 L N 6.145 127.442 121.223 0.124 0.000 2.319 82 L HA 0.557 4.891 4.340 -0.009 0.000 0.280 82 L C 0.432 177.364 176.870 0.103 0.000 1.099 82 L CA 0.106 55.035 54.840 0.148 0.000 0.828 82 L CB 0.915 43.066 42.059 0.153 0.000 1.150 82 L HN 0.740 nan 8.230 nan 0.000 0.442 83 A N 4.452 127.347 122.820 0.126 0.000 2.363 83 A HA 0.423 4.737 4.320 -0.009 0.000 0.270 83 A C 0.488 177.871 177.584 -0.335 0.000 1.121 83 A CA -0.315 51.688 52.037 -0.056 0.000 0.800 83 A CB 0.174 19.162 19.000 -0.020 0.000 1.052 83 A HN 0.895 nan 8.150 nan 0.000 0.493 84 E N 0.817 120.752 120.200 -0.442 0.000 2.583 84 E HA 0.159 4.503 4.350 -0.009 0.000 0.213 84 E C 0.052 176.234 176.600 -0.696 0.000 0.989 84 E CA 0.544 56.438 56.400 -0.844 0.000 0.991 84 E CB 0.365 29.815 29.700 -0.417 0.000 1.040 84 E HN 0.789 nan 8.360 nan 0.000 0.481 85 S N 0.056 115.482 115.700 -0.456 0.000 2.815 85 S HA 0.045 4.510 4.470 -0.009 0.000 0.296 85 S C -0.196 174.260 174.600 -0.239 0.000 1.224 85 S CA -0.556 57.462 58.200 -0.305 0.000 0.938 85 S CB 0.499 63.593 63.200 -0.176 0.000 1.285 85 S HN 0.013 nan 8.310 nan 0.000 0.549 86 D N 1.197 121.501 120.400 -0.160 0.000 2.352 86 D HA 0.147 4.781 4.640 -0.009 0.000 0.232 86 D C 0.702 176.921 176.300 -0.134 0.000 1.055 86 D CA 0.763 54.682 54.000 -0.135 0.000 0.891 86 D CB -0.704 40.044 40.800 -0.086 0.000 0.897 86 D HN 0.765 nan 8.370 nan 0.000 0.529 87 T N -3.391 111.079 114.554 -0.139 0.000 2.906 87 T HA 0.632 4.976 4.350 -0.009 0.000 0.295 87 T C -0.757 173.861 174.700 -0.137 0.000 1.061 87 T CA -0.988 61.039 62.100 -0.122 0.000 1.000 87 T CB 2.299 71.129 68.868 -0.064 0.000 1.103 87 T HN -0.001 nan 8.240 nan 0.000 0.486 88 V N 0.808 120.644 119.914 -0.130 0.000 2.932 88 V HA 0.585 4.699 4.120 -0.009 0.000 0.307 88 V C -1.988 174.089 176.094 -0.028 0.000 1.147 88 V CA -0.742 61.499 62.300 -0.099 0.000 0.951 88 V CB 2.349 34.072 31.823 -0.166 0.000 1.031 88 V HN 1.082 nan 8.190 nan 0.000 0.426 89 D N 5.262 125.669 120.400 0.012 0.000 2.192 89 D HA 0.585 5.220 4.640 -0.009 0.000 0.246 89 D C -0.502 175.789 176.300 -0.015 0.000 1.042 89 D CA 0.184 54.197 54.000 0.023 0.000 0.847 89 D CB 2.056 42.905 40.800 0.082 0.000 1.186 89 D HN 0.536 nan 8.370 nan 0.000 0.461 90 I N 3.034 123.571 120.570 -0.056 0.000 2.420 90 I HA 0.239 4.404 4.170 -0.009 0.000 0.282 90 I C -2.405 173.669 176.117 -0.072 0.000 1.019 90 I CA -2.159 59.114 61.300 -0.044 0.000 1.130 90 I CB 1.817 39.791 38.000 -0.043 0.000 1.262 90 I HN -0.079 nan 8.210 nan 0.000 0.454 91 P HA 0.149 nan 4.420 nan 0.000 0.268 91 P C 0.606 177.869 177.300 -0.061 0.000 1.204 91 P CA -0.040 63.034 63.100 -0.044 0.000 0.768 91 P CB 0.960 32.660 31.700 -0.000 0.000 0.842 92 L N 1.832 122.965 121.223 -0.151 0.000 2.162 92 L HA 0.038 4.373 4.340 -0.009 0.000 0.205 92 L C 1.742 178.633 176.870 0.035 0.000 1.086 92 L CA 1.287 55.936 54.840 -0.319 0.000 0.778 92 L CB -0.336 41.190 42.059 -0.889 0.000 0.928 92 L HN 0.394 nan 8.230 nan 0.000 0.446 93 M N -1.005 118.647 119.600 0.086 0.000 2.333 93 M HA 0.069 4.543 4.480 -0.009 0.000 0.257 93 M C 1.639 178.085 176.300 0.243 0.000 1.078 93 M CA 0.483 55.942 55.300 0.266 0.000 1.005 93 M CB 0.118 32.819 32.600 0.168 0.000 1.444 93 M HN 0.169 nan 8.290 nan 0.000 0.496 94 E N 0.400 120.682 120.200 0.138 0.000 2.209 94 E HA -0.134 4.210 4.350 -0.009 0.000 0.196 94 E C 1.509 178.128 176.600 0.032 0.000 0.993 94 E CA 1.651 58.099 56.400 0.079 0.000 0.819 94 E CB 0.110 29.836 29.700 0.043 0.000 0.745 94 E HN 0.466 nan 8.360 nan 0.000 0.477 95 S N -0.559 115.107 115.700 -0.057 0.000 2.540 95 S HA 0.137 4.602 4.470 -0.009 0.000 0.218 95 S C 0.191 174.539 174.600 -0.420 0.000 0.977 95 S CA -0.466 57.568 58.200 -0.277 0.000 0.918 95 S CB 0.093 63.036 63.200 -0.429 0.000 0.806 95 S HN -0.051 nan 8.310 nan 0.000 0.496 96 F N 0.993 121.036 119.950 0.155 0.000 2.523 96 F HA 0.552 5.074 4.527 -0.009 0.000 0.329 96 F C -0.096 175.873 175.800 0.282 0.000 1.061 96 F CA -1.996 56.124 58.000 0.199 0.000 0.967 96 F CB 0.648 39.768 39.000 0.201 0.000 1.218 96 F HN 0.018 nan 8.300 nan 0.000 0.480 97 F N 2.378 122.527 119.950 0.332 0.000 2.490 97 F HA 0.350 4.871 4.527 -0.009 0.000 0.357 97 F C 1.071 177.012 175.800 0.234 0.000 1.166 97 F CA -1.360 56.788 58.000 0.246 0.000 1.116 97 F CB 0.186 39.327 39.000 0.235 0.000 1.171 97 F HN 0.571 nan 8.300 nan 0.000 0.576 98 A N 4.577 127.549 122.820 0.253 0.000 2.125 98 A HA -0.139 4.176 4.320 -0.009 0.000 0.219 98 A C 1.991 179.500 177.584 -0.125 0.000 1.156 98 A CA 1.389 53.474 52.037 0.080 0.000 0.671 98 A CB -0.549 18.522 19.000 0.118 0.000 0.794 98 A HN 0.797 nan 8.150 nan 0.000 0.459 99 E N -1.078 118.807 120.200 -0.525 0.000 2.358 99 E HA -0.156 4.189 4.350 -0.009 0.000 0.195 99 E C 1.996 178.450 176.600 -0.243 0.000 1.010 99 E CA 0.968 57.065 56.400 -0.505 0.000 0.856 99 E CB 0.018 29.260 29.700 -0.764 0.000 0.795 99 E HN 0.843 nan 8.360 nan 0.000 0.504 100 Q N 0.007 119.632 119.800 -0.292 0.000 2.394 100 Q HA 0.117 4.452 4.340 -0.009 0.000 0.218 100 Q C -0.010 176.025 176.000 0.057 0.000 0.907 100 Q CA 0.246 56.048 55.803 -0.002 0.000 0.919 100 Q CB 0.695 29.444 28.738 0.018 0.000 1.051 100 Q HN 0.090 nan 8.270 nan 0.000 0.538 101 L N 1.166 122.421 121.223 0.052 0.000 2.422 101 L HA 0.548 4.883 4.340 -0.009 0.000 0.264 101 L C -1.078 175.848 176.870 0.093 0.000 0.984 101 L CA -0.735 54.142 54.840 0.062 0.000 0.819 101 L CB 2.377 44.448 42.059 0.019 0.000 1.330 101 L HN -0.146 nan 8.230 nan 0.000 0.410 102 K N 3.373 123.848 120.400 0.125 0.000 2.513 102 K HA 0.546 4.861 4.320 -0.009 0.000 0.251 102 K C -2.798 173.929 176.600 0.211 0.000 0.939 102 K CA -1.707 54.679 56.287 0.166 0.000 0.793 102 K CB 2.730 35.328 32.500 0.164 0.000 1.241 102 K HN 0.099 nan 8.250 nan 0.000 0.431 103 P HA -0.063 nan 4.420 nan 0.000 0.262 103 P C -1.063 176.395 177.300 0.263 0.000 1.182 103 P CA -0.070 63.181 63.100 0.251 0.000 0.761 103 P CB 0.352 32.135 31.700 0.137 0.000 0.795 104 N N 3.396 122.187 118.700 0.153 0.000 2.399 104 N HA 0.029 4.763 4.740 -0.009 0.000 0.259 104 N C 0.649 176.316 175.510 0.262 0.000 1.160 104 N CA 0.226 53.272 53.050 -0.007 0.000 0.946 104 N CB 0.003 38.179 38.487 -0.518 0.000 1.156 104 N HN 0.233 nan 8.380 nan 0.000 0.489 105 R N 1.906 122.558 120.500 0.253 0.000 2.300 105 R HA 0.078 4.413 4.340 -0.009 0.000 0.199 105 R C 0.202 176.558 176.300 0.092 0.000 0.920 105 R CA 0.139 56.335 56.100 0.160 0.000 1.046 105 R CB 0.538 30.923 30.300 0.141 0.000 0.984 105 R HN 0.539 nan 8.270 nan 0.000 0.493 106 D N 1.308 121.785 120.400 0.128 0.000 2.137 106 D HA -0.024 4.611 4.640 -0.009 0.000 0.202 106 D C 0.530 176.849 176.300 0.032 0.000 0.970 106 D CA 0.704 54.758 54.000 0.090 0.000 0.837 106 D CB 0.101 40.992 40.800 0.152 0.000 0.981 106 D HN 0.090 nan 8.370 nan 0.000 0.475 107 A N 1.506 124.314 122.820 -0.020 0.000 2.309 107 A HA 0.109 4.424 4.320 -0.009 0.000 0.290 107 A C -0.188 177.403 177.584 0.011 0.000 1.206 107 A CA -0.449 51.534 52.037 -0.089 0.000 0.850 107 A CB 0.401 19.152 19.000 -0.415 0.000 1.118 107 A HN -0.121 nan 8.150 nan 0.000 0.523 108 D N 4.139 124.617 120.400 0.130 0.000 2.854 108 D HA -0.028 4.606 4.640 -0.009 0.000 0.243 108 D C -1.363 174.925 176.300 -0.020 0.000 1.243 108 D CA -0.835 53.211 54.000 0.077 0.000 0.883 108 D CB 0.624 41.501 40.800 0.128 0.000 1.145 108 D HN 0.227 nan 8.370 nan 0.000 0.555 109 P HA -0.150 nan 4.420 nan 0.000 0.216 109 P C 0.750 177.867 177.300 -0.305 0.000 1.150 109 P CA 1.328 63.863 63.100 -0.942 0.000 0.837 109 P CB 0.045 30.964 31.700 -1.303 0.000 0.786 110 H N -1.340 117.605 119.070 -0.209 0.000 2.491 110 H HA -0.016 4.535 4.556 -0.009 0.000 0.290 110 H C 2.061 177.376 175.328 -0.022 0.000 1.050 110 H CA 1.210 57.148 56.048 -0.185 0.000 1.309 110 H CB -0.051 29.484 29.762 -0.378 0.000 1.392 110 H HN 0.111 nan 8.280 nan 0.000 0.554 111 K N -0.341 120.089 120.400 0.050 0.000 2.128 111 K HA -0.060 4.255 4.320 -0.009 0.000 0.202 111 K C 0.669 177.188 176.600 -0.136 0.000 1.050 111 K CA 0.880 57.106 56.287 -0.102 0.000 0.966 111 K CB 0.269 32.610 32.500 -0.266 0.000 0.759 111 K HN 0.268 nan 8.250 nan 0.000 0.454 112 Y N -1.300 119.121 120.300 0.202 0.000 2.458 112 Y HA 0.128 4.672 4.550 -0.009 0.000 0.254 112 Y C 0.174 176.473 175.900 0.666 0.000 1.120 112 Y CA -0.482 57.839 58.100 0.368 0.000 1.282 112 Y CB 0.489 39.139 38.460 0.318 0.000 1.109 112 Y HN 0.035 nan 8.280 nan 0.000 0.526 113 W N 0.439 121.968 121.300 0.382 0.000 2.703 113 W HA 0.615 5.269 4.660 -0.009 0.000 0.359 113 W C -0.485 176.154 176.519 0.199 0.000 1.168 113 W CA -1.905 55.624 57.345 0.306 0.000 1.177 113 W CB 0.563 30.182 29.460 0.265 0.000 1.434 113 W HN -0.328 nan 8.180 nan 0.000 0.618 114 E N 0.290 120.648 120.200 0.263 0.000 2.304 114 E HA 0.471 4.815 4.350 -0.009 0.000 0.277 114 E C -1.823 174.719 176.600 -0.096 0.000 0.898 114 E CA -0.469 55.999 56.400 0.113 0.000 0.764 114 E CB 2.353 32.075 29.700 0.037 0.000 1.216 114 E HN 0.121 nan 8.360 nan 0.000 0.419 115 V N 4.172 123.982 119.914 -0.174 0.000 2.394 115 V HA 0.384 4.499 4.120 -0.009 0.000 0.282 115 V C -0.324 175.771 176.094 0.001 0.000 1.031 115 V CA -0.640 61.523 62.300 -0.228 0.000 0.881 115 V CB 1.472 32.990 31.823 -0.508 0.000 0.982 115 V HN 0.452 nan 8.190 nan 0.000 0.451 116 V N 3.676 123.606 119.914 0.026 0.000 2.495 116 V HA 0.356 4.471 4.120 -0.009 0.000 0.298 116 V C -0.201 175.924 176.094 0.051 0.000 1.031 116 V CA -0.665 61.659 62.300 0.041 0.000 0.871 116 V CB 2.055 33.867 31.823 -0.018 0.000 0.988 116 V HN 0.906 nan 8.190 nan 0.000 0.432 117 D N 4.567 124.980 120.400 0.022 0.000 2.374 117 D HA 0.141 4.776 4.640 -0.009 0.000 0.240 117 D C 1.182 177.358 176.300 -0.206 0.000 1.229 117 D CA -0.240 53.605 54.000 -0.258 0.000 0.895 117 D CB 0.819 41.576 40.800 -0.072 0.000 1.046 117 D HN 0.295 nan 8.370 nan 0.000 0.498 118 R N 2.234 122.589 120.500 -0.242 0.000 2.148 118 R HA -0.036 4.299 4.340 -0.009 0.000 0.223 118 R C 1.631 177.838 176.300 -0.154 0.000 1.088 118 R CA 0.672 56.683 56.100 -0.148 0.000 0.985 118 R CB -0.625 29.608 30.300 -0.113 0.000 0.880 118 R HN 0.461 nan 8.270 nan 0.000 0.451 119 T N 0.322 114.742 114.554 -0.222 0.000 2.788 119 T HA -0.109 4.235 4.350 -0.009 0.000 0.268 119 T C 1.763 176.331 174.700 -0.219 0.000 1.044 119 T CA 2.036 63.980 62.100 -0.259 0.000 1.139 119 T CB -0.131 68.459 68.868 -0.463 0.000 0.867 119 T HN 0.476 nan 8.240 nan 0.000 0.454 120 T N -2.131 112.330 114.554 -0.156 0.000 2.990 120 T HA 0.460 4.805 4.350 -0.009 0.000 0.250 120 T C 1.863 176.536 174.700 -0.044 0.000 1.041 120 T CA 0.690 62.746 62.100 -0.074 0.000 1.010 120 T CB 0.182 69.053 68.868 0.006 0.000 1.003 120 T HN 0.488 nan 8.240 nan 0.000 0.499 121 G N 1.497 110.265 108.800 -0.054 0.000 2.184 121 G HA2 -0.220 3.734 3.960 -0.009 0.000 0.264 121 G HA3 -0.220 3.734 3.960 -0.009 0.000 0.264 121 G C -0.143 174.750 174.900 -0.012 0.000 0.975 121 G CA 0.115 45.193 45.100 -0.038 0.000 0.642 121 G HN 0.596 nan 8.290 nan 0.000 0.536 122 E N 0.015 120.221 120.200 0.011 0.000 2.313 122 E HA 0.454 4.798 4.350 -0.009 0.000 0.272 122 E C 0.513 177.150 176.600 0.062 0.000 1.038 122 E CA -0.618 55.807 56.400 0.041 0.000 0.863 122 E CB 2.052 31.792 29.700 0.065 0.000 1.060 122 E HN 0.113 nan 8.360 nan 0.000 0.402 123 V N 2.782 122.738 119.914 0.071 0.000 2.508 123 V HA 0.005 4.120 4.120 -0.009 0.000 0.281 123 V C 0.429 176.613 176.094 0.150 0.000 1.041 123 V CA -0.362 61.998 62.300 0.100 0.000 1.016 123 V CB 1.082 32.961 31.823 0.093 0.000 0.984 123 V HN 0.364 nan 8.190 nan 0.000 0.478 124 V N 4.517 124.547 119.914 0.194 0.000 2.521 124 V HA 0.057 4.171 4.120 -0.009 0.000 0.286 124 V C 0.580 176.855 176.094 0.301 0.000 1.034 124 V CA -0.331 62.117 62.300 0.246 0.000 1.045 124 V CB 1.074 33.059 31.823 0.271 0.000 0.974 124 V HN 0.978 nan 8.190 nan 0.000 0.480 125 D N 4.057 124.594 120.400 0.229 0.000 2.586 125 D HA -0.069 4.565 4.640 -0.009 0.000 0.234 125 D C 1.511 177.956 176.300 0.242 0.000 1.132 125 D CA 0.902 55.018 54.000 0.192 0.000 0.860 125 D CB 1.088 41.955 40.800 0.112 0.000 1.159 125 D HN 0.706 nan 8.370 nan 0.000 0.490 126 S N 3.092 118.911 115.700 0.198 0.000 2.440 126 S HA -0.220 4.245 4.470 -0.009 0.000 0.238 126 S C 1.925 176.384 174.600 -0.234 0.000 1.010 126 S CA 0.752 58.945 58.200 -0.012 0.000 0.972 126 S CB -0.334 62.921 63.200 0.092 0.000 0.774 126 S HN 0.544 nan 8.310 nan 0.000 0.501 127 A N 1.909 124.657 122.820 -0.120 0.000 2.216 127 A HA 0.059 4.373 4.320 -0.009 0.000 0.214 127 A C 1.634 179.177 177.584 -0.068 0.000 1.160 127 A CA 1.024 52.972 52.037 -0.147 0.000 0.725 127 A CB -0.697 18.250 19.000 -0.089 0.000 0.784 127 A HN 0.762 nan 8.150 nan 0.000 0.472 128 N N -0.575 118.144 118.700 0.032 0.000 2.214 128 N HA 0.173 4.908 4.740 -0.009 0.000 0.214 128 N C -0.535 175.131 175.510 0.260 0.000 1.132 128 N CA -0.304 52.818 53.050 0.119 0.000 0.856 128 N CB 0.425 38.994 38.487 0.136 0.000 1.020 128 N HN 0.792 nan 8.380 nan 0.000 0.509 129 W N 0.610 121.995 121.300 0.142 0.000 3.167 129 W HA 0.486 5.140 4.660 -0.009 0.000 0.324 129 W C -1.326 175.341 176.519 0.247 0.000 1.230 129 W CA -0.876 56.558 57.345 0.148 0.000 1.184 129 W CB 0.434 29.955 29.460 0.101 0.000 1.414 129 W HN -0.236 nan 8.180 nan 0.000 0.551 130 T N 0.329 115.163 114.554 0.466 0.000 2.900 130 T HA 0.547 4.891 4.350 -0.009 0.000 0.295 130 T C -1.308 173.626 174.700 0.391 0.000 1.044 130 T CA -0.807 61.491 62.100 0.330 0.000 0.995 130 T CB 2.401 71.409 68.868 0.233 0.000 1.072 130 T HN 0.556 nan 8.240 nan 0.000 0.473 131 L N 2.513 123.901 121.223 0.274 0.000 2.290 131 L HA 0.379 4.713 4.340 -0.009 0.000 0.284 131 L C 0.319 177.277 176.870 0.146 0.000 1.078 131 L CA -0.117 54.839 54.840 0.194 0.000 0.815 131 L CB 0.381 42.511 42.059 0.118 0.000 1.162 131 L HN 0.821 nan 8.230 nan 0.000 0.435 132 D N 3.634 124.092 120.400 0.098 0.000 2.525 132 D HA -0.049 4.585 4.640 -0.009 0.000 0.235 132 D C 0.842 177.210 176.300 0.113 0.000 1.137 132 D CA 0.696 54.797 54.000 0.167 0.000 0.868 132 D CB 1.629 42.523 40.800 0.156 0.000 1.180 132 D HN 0.848 nan 8.370 nan 0.000 0.465 133 A N 4.056 126.940 122.820 0.107 0.000 1.972 133 A HA -0.159 4.156 4.320 -0.009 0.000 0.219 133 A C 1.438 179.059 177.584 0.060 0.000 1.169 133 A CA 1.277 53.356 52.037 0.069 0.000 0.635 133 A CB 0.179 19.211 19.000 0.054 0.000 0.810 133 A HN 0.638 nan 8.150 nan 0.000 0.446 134 D N -1.138 119.302 120.400 0.067 0.000 2.479 134 D HA 0.123 4.757 4.640 -0.009 0.000 0.216 134 D C -0.020 176.311 176.300 0.053 0.000 1.110 134 D CA 0.200 54.232 54.000 0.053 0.000 0.841 134 D CB 0.470 41.298 40.800 0.048 0.000 1.040 134 D HN 0.492 nan 8.370 nan 0.000 0.505 135 E N 0.853 121.088 120.200 0.058 0.000 2.312 135 E HA 0.216 4.561 4.350 -0.009 0.000 0.267 135 E C -0.934 175.681 176.600 0.025 0.000 0.894 135 E CA -0.571 55.855 56.400 0.043 0.000 0.773 135 E CB 1.885 31.613 29.700 0.047 0.000 1.241 135 E HN -0.166 nan 8.360 nan 0.000 0.432 136 D N 1.939 122.344 120.400 0.008 0.000 2.608 136 D HA 0.196 4.830 4.640 -0.009 0.000 0.224 136 D C -0.800 175.452 176.300 -0.081 0.000 1.123 136 D CA 0.373 54.355 54.000 -0.030 0.000 1.030 136 D CB 0.147 40.923 40.800 -0.039 0.000 1.093 136 D HN 0.143 nan 8.370 nan 0.000 0.497 137 T N -0.193 114.306 114.554 -0.091 0.000 2.993 137 T HA 0.284 4.629 4.350 -0.009 0.000 0.312 137 T C -0.310 174.237 174.700 -0.255 0.000 1.115 137 T CA -0.532 61.468 62.100 -0.167 0.000 1.027 137 T CB 2.320 71.087 68.868 -0.169 0.000 1.116 137 T HN -0.174 nan 8.240 nan 0.000 0.464 138 V N 4.325 124.102 119.914 -0.230 0.000 2.435 138 V HA 0.389 4.504 4.120 -0.009 0.000 0.290 138 V C -0.406 175.552 176.094 -0.227 0.000 1.030 138 V CA -0.827 61.384 62.300 -0.149 0.000 0.881 138 V CB 1.147 32.937 31.823 -0.056 0.000 0.983 138 V HN 0.826 nan 8.190 nan 0.000 0.445 139 H N 3.921 123.076 119.070 0.141 0.000 2.556 139 H HA 0.469 5.020 4.556 -0.009 0.000 0.310 139 H C -0.595 174.810 175.328 0.129 0.000 1.057 139 H CA -0.396 55.708 56.048 0.094 0.000 1.264 139 H CB 1.630 31.437 29.762 0.076 0.000 1.404 139 H HN 0.360 nan 8.280 nan 0.000 0.462 140 V N 3.434 123.428 119.914 0.134 0.000 2.435 140 V HA 0.316 4.430 4.120 -0.009 0.000 0.290 140 V C 0.439 176.535 176.094 0.004 0.000 1.030 140 V CA -0.677 61.667 62.300 0.074 0.000 0.881 140 V CB 1.443 33.202 31.823 -0.107 0.000 0.983 140 V HN 0.879 nan 8.190 nan 0.000 0.445 141 S N 2.063 117.782 115.700 0.032 0.000 2.638 141 S HA 0.797 5.262 4.470 -0.009 0.000 0.302 141 S C 0.676 175.264 174.600 -0.020 0.000 1.096 141 S CA -0.079 58.116 58.200 -0.008 0.000 0.953 141 S CB 1.740 64.950 63.200 0.016 0.000 1.107 141 S HN 2.247 nan 8.310 nan 0.000 0.503 142 G N -0.117 108.661 108.800 -0.036 0.000 2.198 142 G HA2 -0.194 3.761 3.960 -0.009 0.000 0.260 142 G HA3 -0.194 3.761 3.960 -0.009 0.000 0.260 142 G C 0.146 175.023 174.900 -0.039 0.000 1.025 142 G CA 0.311 45.396 45.100 -0.026 0.000 0.769 142 G HN 1.867 nan 8.290 nan 0.000 0.507 143 V N -2.884 116.969 119.914 -0.101 0.000 3.262 143 V HA 0.937 5.052 4.120 -0.009 0.000 0.313 143 V C 0.767 176.799 176.094 -0.103 0.000 1.070 143 V CA -0.596 61.633 62.300 -0.119 0.000 1.049 143 V CB 1.631 33.195 31.823 -0.431 0.000 1.157 143 V HN 1.676 nan 8.190 nan 0.000 0.454 144 A N 1.199 123.967 122.820 -0.087 0.000 2.301 144 A HA 0.817 5.132 4.320 -0.009 0.000 0.298 144 A C 0.532 177.956 177.584 -0.265 0.000 1.185 144 A CA -0.084 51.783 52.037 -0.284 0.000 0.830 144 A CB 0.151 18.736 19.000 -0.691 0.000 1.112 144 A HN 2.056 nan 8.150 nan 0.000 0.508 145 A N 1.561 124.228 122.820 -0.254 0.000 2.483 145 A HA 0.410 4.724 4.320 -0.009 0.000 0.238 145 A C 0.241 177.718 177.584 -0.179 0.000 1.070 145 A CA 0.840 52.611 52.037 -0.443 0.000 0.770 145 A CB -0.883 17.713 19.000 -0.673 0.000 1.008 145 A HN 1.682 nan 8.150 nan 0.000 0.497 146 W N -1.519 119.879 121.300 0.163 0.000 2.279 146 W HA -0.185 4.470 4.660 -0.009 0.000 0.275 146 W C 0.351 177.046 176.519 0.294 0.000 1.083 146 W CA 0.717 58.179 57.345 0.195 0.000 0.504 146 W CB -2.305 27.248 29.460 0.155 0.000 2.112 146 W HN 0.890 nan 8.180 nan 0.000 1.261 147 H N 0.328 119.508 119.070 0.183 0.000 2.525 147 H HA 0.459 5.010 4.556 -0.009 0.000 0.340 147 H C 0.228 175.520 175.328 -0.059 0.000 1.168 147 H CA -0.999 55.050 56.048 0.001 0.000 1.247 147 H CB 1.261 30.933 29.762 -0.149 0.000 1.568 147 H HN -0.065 nan 8.280 nan 0.000 0.536 148 E N 1.577 121.723 120.200 -0.090 0.000 2.216 148 E HA 0.217 4.562 4.350 -0.009 0.000 0.279 148 E C -1.221 175.175 176.600 -0.340 0.000 0.997 148 E CA -0.432 55.924 56.400 -0.073 0.000 0.817 148 E CB 1.363 31.041 29.700 -0.037 0.000 1.096 148 E HN 0.380 nan 8.360 nan 0.000 0.393 149 Y N 0.431 120.756 120.300 0.041 0.000 2.446 149 Y HA 0.349 4.894 4.550 -0.009 0.000 0.345 149 Y C 0.481 176.378 175.900 -0.005 0.000 0.984 149 Y CA -0.684 57.425 58.100 0.016 0.000 1.058 149 Y CB 2.213 40.676 38.460 0.006 0.000 1.220 149 Y HN 0.445 nan 8.280 nan 0.000 0.455 150 T N -1.198 113.419 114.554 0.105 0.000 2.916 150 T HA 0.829 5.174 4.350 -0.009 0.000 0.292 150 T C -1.295 173.406 174.700 0.001 0.000 1.064 150 T CA -0.877 61.253 62.100 0.051 0.000 1.011 150 T CB 1.436 70.316 68.868 0.019 0.000 1.152 150 T HN 0.317 nan 8.240 nan 0.000 0.510 151 V N 1.677 121.584 119.914 -0.010 0.000 2.513 151 V HA 0.601 4.716 4.120 -0.009 0.000 0.299 151 V C -0.099 176.002 176.094 0.012 0.000 1.035 151 V CA -0.860 61.396 62.300 -0.072 0.000 0.889 151 V CB 1.862 33.604 31.823 -0.135 0.000 0.988 151 V HN 1.082 nan 8.190 nan 0.000 0.440 152 S N 5.453 121.119 115.700 -0.057 0.000 2.438 152 S HA 0.769 5.234 4.470 -0.009 0.000 0.316 152 S C -0.617 173.907 174.600 -0.127 0.000 1.084 152 S CA -0.469 57.673 58.200 -0.097 0.000 1.107 152 S CB 0.395 63.490 63.200 -0.175 0.000 0.981 152 S HN 0.635 nan 8.310 nan 0.000 0.466 153 F N 0.542 120.214 119.950 -0.464 0.000 2.588 153 F HA 0.722 5.244 4.527 -0.009 0.000 0.314 153 F C -0.984 174.380 175.800 -0.728 0.000 1.069 153 F CA -1.604 55.681 58.000 -1.192 0.000 0.931 153 F CB 0.742 38.536 39.000 -2.010 0.000 1.260 153 F HN 0.231 nan 8.300 nan 0.000 0.465 154 L N 2.848 123.650 121.223 -0.703 0.000 2.380 154 L HA 0.641 4.976 4.340 -0.009 0.000 0.273 154 L C 0.067 176.701 176.870 -0.393 0.000 1.138 154 L CA -0.532 53.944 54.840 -0.607 0.000 0.832 154 L CB 1.152 42.971 42.059 -0.400 0.000 1.124 154 L HN 0.953 nan 8.230 nan 0.000 0.454 155 A N 3.245 125.777 122.820 -0.481 0.000 2.422 155 A HA 0.614 4.929 4.320 -0.009 0.000 0.302 155 A C -1.347 176.081 177.584 -0.259 0.000 1.041 155 A CA -0.531 51.335 52.037 -0.285 0.000 0.708 155 A CB 0.774 19.579 19.000 -0.326 0.000 1.257 155 A HN 0.485 nan 8.150 nan 0.000 0.414 156 Y N 1.204 121.481 120.300 -0.039 0.000 2.411 156 Y HA 0.326 4.870 4.550 -0.009 0.000 0.333 156 Y C 0.580 176.472 175.900 -0.014 0.000 1.186 156 Y CA 0.278 58.369 58.100 -0.016 0.000 1.381 156 Y CB 0.548 39.017 38.460 0.014 0.000 1.273 156 Y HN 0.457 nan 8.280 nan 0.000 0.546 157 I N 5.623 126.296 120.570 0.171 0.000 2.281 157 I HA 0.112 4.276 4.170 -0.009 0.000 0.293 157 I C 0.896 177.102 176.117 0.147 0.000 1.085 157 I CA 0.064 61.435 61.300 0.118 0.000 1.257 157 I CB 0.278 38.327 38.000 0.080 0.000 1.430 157 I HN 0.635 nan 8.210 nan 0.000 0.489 158 I N 2.673 123.326 120.570 0.138 0.000 3.875 158 I HA 0.269 4.434 4.170 -0.009 0.000 0.329 158 I C -0.260 175.968 176.117 0.185 0.000 1.295 158 I CA 0.072 61.444 61.300 0.119 0.000 1.129 158 I CB 0.202 38.239 38.000 0.061 0.000 1.008 158 I HN 0.470 nan 8.210 nan 0.000 0.413 159 W N 2.750 124.028 121.300 -0.037 0.000 3.036 159 W HA 0.351 5.006 4.660 -0.009 0.000 0.337 159 W C -1.170 175.303 176.519 -0.077 0.000 1.055 159 W CA -1.889 55.416 57.345 -0.067 0.000 1.248 159 W CB 1.121 30.484 29.460 -0.161 0.000 1.335 159 W HN 0.010 nan 8.180 nan 0.000 0.446 160 D N 7.065 127.631 120.400 0.275 0.000 2.502 160 D HA 0.011 4.646 4.640 -0.009 0.000 0.249 160 D C -1.368 174.835 176.300 -0.162 0.000 1.188 160 D CA -0.064 53.959 54.000 0.037 0.000 0.890 160 D CB 1.595 42.416 40.800 0.035 0.000 1.140 160 D HN 0.025 nan 8.370 nan 0.000 0.505 161 P HA -0.210 nan 4.420 nan 0.000 0.216 161 P C 1.368 178.480 177.300 -0.313 0.000 1.153 161 P CA 0.691 63.609 63.100 -0.302 0.000 0.858 161 P CB 0.213 31.776 31.700 -0.229 0.000 0.789 162 V N -0.075 119.704 119.914 -0.224 0.000 2.379 162 V HA -0.195 3.919 4.120 -0.009 0.000 0.245 162 V C 2.484 178.514 176.094 -0.108 0.000 1.044 162 V CA 1.653 63.867 62.300 -0.144 0.000 1.036 162 V CB -1.061 30.697 31.823 -0.109 0.000 0.664 162 V HN 0.163 nan 8.190 nan 0.000 0.453 163 E N 0.014 120.152 120.200 -0.103 0.000 2.085 163 E HA -0.282 4.063 4.350 -0.009 0.000 0.194 163 E C 2.207 178.765 176.600 -0.069 0.000 0.994 163 E CA 1.996 58.415 56.400 0.030 0.000 0.801 163 E CB -0.196 29.603 29.700 0.166 0.000 0.743 163 E HN 0.573 nan 8.360 nan 0.000 0.453 164 M N -0.284 118.989 119.600 -0.544 0.000 2.080 164 M HA -0.246 4.229 4.480 -0.009 0.000 0.260 164 M C 2.329 178.184 176.300 -0.742 0.000 1.068 164 M CA 1.760 56.305 55.300 -1.258 0.000 1.109 164 M CB -0.434 30.949 32.600 -2.028 0.000 1.342 164 M HN 0.158 nan 8.290 nan 0.000 0.405 165 Y N 1.190 121.111 120.300 -0.632 0.000 2.128 165 Y HA -0.281 4.264 4.550 -0.009 0.000 0.284 165 Y C 1.625 177.317 175.900 -0.346 0.000 1.154 165 Y CA 2.589 60.439 58.100 -0.417 0.000 1.149 165 Y CB -0.661 37.666 38.460 -0.221 0.000 0.976 165 Y HN 0.446 nan 8.280 nan 0.000 0.505 166 N N -1.389 117.095 118.700 -0.360 0.000 2.142 166 N HA -0.196 4.539 4.740 -0.009 0.000 0.186 166 N C 1.705 176.546 175.510 -1.115 0.000 1.023 166 N CA 1.096 53.760 53.050 -0.644 0.000 0.852 166 N CB -0.407 37.826 38.487 -0.424 0.000 0.998 166 N HN 0.509 nan 8.380 nan 0.000 0.424 167 H N 0.956 119.471 119.070 -0.926 0.000 2.265 167 H HA -0.059 4.491 4.556 -0.009 0.000 0.295 167 H C 1.947 177.005 175.328 -0.449 0.000 1.084 167 H CA 1.617 57.308 56.048 -0.595 0.000 1.261 167 H CB -0.110 29.788 29.762 0.226 0.000 1.360 167 H HN 0.088 nan 8.280 nan 0.000 0.487 168 L N -0.492 120.651 121.223 -0.134 0.000 2.046 168 L HA -0.188 4.146 4.340 -0.009 0.000 0.208 168 L C 2.580 179.291 176.870 -0.265 0.000 1.077 168 L CA 1.714 56.480 54.840 -0.124 0.000 0.747 168 L CB -0.534 41.412 42.059 -0.188 0.000 0.896 168 L HN 0.418 nan 8.230 nan 0.000 0.432 169 T N -0.721 113.539 114.554 -0.490 0.000 2.777 169 T HA -0.124 4.221 4.350 -0.009 0.000 0.266 169 T C 1.514 176.027 174.700 -0.311 0.000 1.040 169 T CA 1.651 63.472 62.100 -0.465 0.000 1.141 169 T CB -0.246 68.165 68.868 -0.763 0.000 0.868 169 T HN 0.354 nan 8.240 nan 0.000 0.444 170 N N 0.556 118.992 118.700 -0.441 0.000 2.422 170 N HA 0.050 4.785 4.740 -0.009 0.000 0.181 170 N C -0.233 175.166 175.510 -0.186 0.000 1.080 170 N CA 0.128 53.012 53.050 -0.276 0.000 0.893 170 N CB 0.307 38.573 38.487 -0.368 0.000 0.973 170 N HN 0.176 nan 8.380 nan 0.000 0.456 171 D N -1.106 119.151 120.400 -0.238 0.000 2.897 171 D HA -0.132 4.503 4.640 -0.009 0.000 0.250 171 D C -0.712 175.609 176.300 0.035 0.000 1.086 171 D CA 0.101 54.066 54.000 -0.058 0.000 0.799 171 D CB -0.862 39.943 40.800 0.008 0.000 1.043 171 D HN 0.374 nan 8.370 nan 0.000 0.427 172 W N 0.877 121.986 121.300 -0.319 0.000 3.204 172 W HA 0.250 4.905 4.660 -0.008 0.000 0.249 172 W C 1.992 178.346 176.519 -0.274 0.000 1.322 172 W CA 0.745 57.845 57.345 -0.409 0.000 1.593 172 W CB -0.835 28.235 29.460 -0.649 0.000 1.122 172 W HN 0.546 nan 8.180 nan 0.000 0.710 173 G N 1.487 110.359 108.800 0.120 0.000 2.698 173 G HA2 -0.422 3.533 3.960 -0.009 0.000 0.337 173 G HA3 -0.422 3.533 3.960 -0.009 0.000 0.337 173 G C 0.999 176.101 174.900 0.336 0.000 1.196 173 G CA 1.233 46.469 45.100 0.227 0.000 0.965 173 G HN 0.286 nan 8.290 nan 0.000 0.550 174 D N 1.543 122.071 120.400 0.212 0.000 2.349 174 D HA 0.083 4.717 4.640 -0.009 0.000 0.214 174 D C 1.258 177.659 176.300 0.168 0.000 1.063 174 D CA 0.137 54.243 54.000 0.177 0.000 0.847 174 D CB 0.087 40.936 40.800 0.082 0.000 0.933 174 D HN 0.420 nan 8.370 nan 0.000 0.513 175 K N 2.160 122.690 120.400 0.217 0.000 2.569 175 K HA -0.133 4.182 4.320 -0.009 0.000 0.280 175 K C 0.319 177.049 176.600 0.217 0.000 0.984 175 K CA 0.317 56.709 56.287 0.176 0.000 1.064 175 K CB 0.521 33.108 32.500 0.145 0.000 0.866 175 K HN 0.003 nan 8.250 nan 0.000 0.492 176 E N 3.184 123.416 120.200 0.053 0.000 2.414 176 E HA -0.063 4.282 4.350 -0.009 0.000 0.263 176 E C -0.811 175.806 176.600 0.027 0.000 1.000 176 E CA 0.013 56.377 56.400 -0.061 0.000 0.914 176 E CB 0.391 30.048 29.700 -0.070 0.000 0.948 176 E HN 0.538 nan 8.360 nan 0.000 0.444 177 H N 3.413 122.283 119.070 -0.334 0.000 2.690 177 H HA 0.100 4.651 4.556 -0.009 0.000 0.314 177 H C -0.273 174.881 175.328 -0.290 0.000 1.069 177 H CA -0.679 54.994 56.048 -0.626 0.000 1.436 177 H CB 0.712 29.564 29.762 -1.517 0.000 1.462 177 H HN 0.423 nan 8.280 nan 0.000 0.511 178 E N 3.950 124.207 120.200 0.095 0.000 2.299 178 E HA 0.081 4.426 4.350 -0.009 0.000 0.272 178 E C -0.070 176.630 176.600 0.166 0.000 1.043 178 E CA -0.065 56.417 56.400 0.137 0.000 0.895 178 E CB 1.191 30.981 29.700 0.150 0.000 1.011 178 E HN 0.428 nan 8.360 nan 0.000 0.432 179 I N 6.221 126.873 120.570 0.137 0.000 2.371 179 I HA 0.170 4.334 4.170 -0.009 0.000 0.290 179 I C -1.899 174.327 176.117 0.181 0.000 1.028 179 I CA -1.982 59.413 61.300 0.158 0.000 1.345 179 I CB 0.866 38.946 38.000 0.133 0.000 1.407 179 I HN 0.208 nan 8.210 nan 0.000 0.501 180 P HA 0.371 nan 4.420 nan 0.000 0.284 180 P C -1.288 176.066 177.300 0.090 0.000 1.258 180 P CA -0.301 62.758 63.100 -0.068 0.000 0.824 180 P CB 1.037 32.727 31.700 -0.017 0.000 1.038 181 F N -1.185 118.893 119.950 0.214 0.000 2.577 181 F HA 0.616 5.137 4.527 -0.009 0.000 0.318 181 F C -0.355 175.586 175.800 0.235 0.000 1.065 181 F CA -1.246 56.907 58.000 0.253 0.000 0.929 181 F CB 1.106 40.308 39.000 0.336 0.000 1.237 181 F HN 0.051 nan 8.300 nan 0.000 0.468 182 D N 2.371 123.067 120.400 0.492 0.000 2.392 182 D HA 0.263 4.898 4.640 -0.009 0.000 0.228 182 D C 0.737 177.281 176.300 0.406 0.000 1.074 182 D CA -0.548 53.687 54.000 0.391 0.000 0.838 182 D CB 1.226 42.311 40.800 0.475 0.000 1.067 182 D HN 0.696 nan 8.370 nan 0.000 0.511 183 I N 1.543 122.270 120.570 0.260 0.000 3.334 183 I HA -0.029 4.135 4.170 -0.009 0.000 0.282 183 I C 1.346 177.629 176.117 0.276 0.000 1.313 183 I CA 0.206 61.625 61.300 0.199 0.000 1.396 183 I CB -0.378 37.573 38.000 -0.082 0.000 1.054 183 I HN 0.265 nan 8.210 nan 0.000 0.495 184 Y N 2.073 122.424 120.300 0.085 0.000 2.274 184 Y HA -0.125 4.420 4.550 -0.009 0.000 0.290 184 Y C 1.456 177.223 175.900 -0.222 0.000 1.145 184 Y CA 1.076 59.013 58.100 -0.271 0.000 1.203 184 Y CB -0.167 38.013 38.460 -0.467 0.000 0.984 184 Y HN 0.299 nan 8.280 nan 0.000 0.533 185 H N 1.497 120.692 119.070 0.208 0.000 2.722 185 H HA 0.064 4.614 4.556 -0.009 0.000 0.328 185 H C -1.523 173.867 175.328 0.102 0.000 1.067 185 H CA -1.656 54.483 56.048 0.152 0.000 1.447 185 H CB 0.754 30.640 29.762 0.208 0.000 1.469 185 H HN 0.168 nan 8.280 nan 0.000 0.544 186 P HA -0.143 nan 4.420 nan 0.000 0.217 186 P C 1.328 178.703 177.300 0.126 0.000 1.150 186 P CA 1.386 64.548 63.100 0.104 0.000 0.832 186 P CB 0.161 31.904 31.700 0.071 0.000 0.787 187 A N -0.097 122.824 122.820 0.167 0.000 1.883 187 A HA -0.165 4.149 4.320 -0.009 0.000 0.217 187 A C 2.370 180.044 177.584 0.150 0.000 1.186 187 A CA 2.587 54.732 52.037 0.180 0.000 0.624 187 A CB -1.945 17.170 19.000 0.192 0.000 0.822 187 A HN 0.185 nan 8.150 nan 0.000 0.444 188 T N -1.010 113.697 114.554 0.254 0.000 2.821 188 T HA -0.111 4.233 4.350 -0.009 0.000 0.267 188 T C 2.050 176.749 174.700 -0.000 0.000 1.046 188 T CA 1.390 63.569 62.100 0.130 0.000 1.139 188 T CB -0.207 68.900 68.868 0.398 0.000 0.871 188 T HN 0.545 nan 8.240 nan 0.000 0.454 189 R N 1.144 121.694 120.500 0.084 0.000 2.073 189 R HA -0.073 4.262 4.340 -0.009 0.000 0.234 189 R C 2.496 178.847 176.300 0.085 0.000 1.134 189 R CA 1.489 57.632 56.100 0.072 0.000 0.952 189 R CB -0.144 30.244 30.300 0.147 0.000 0.850 189 R HN 0.231 nan 8.270 nan 0.000 0.433 190 K N -0.258 120.176 120.400 0.057 0.000 2.032 190 K HA -0.224 4.091 4.320 -0.009 0.000 0.209 190 K C 1.991 178.536 176.600 -0.093 0.000 1.048 190 K CA 1.863 58.169 56.287 0.032 0.000 0.927 190 K CB -0.363 32.144 32.500 0.012 0.000 0.712 190 K HN 0.151 nan 8.250 nan 0.000 0.441 191 F N 1.492 121.160 119.950 -0.469 0.000 2.091 191 F HA -0.260 4.262 4.527 -0.009 0.000 0.299 191 F C 1.879 177.406 175.800 -0.454 0.000 1.103 191 F CA 1.525 59.090 58.000 -0.725 0.000 1.228 191 F CB -0.503 37.475 39.000 -1.704 0.000 0.984 191 F HN -0.182 nan 8.300 nan 0.000 0.477 192 V N -0.176 119.448 119.914 -0.485 0.000 2.295 192 V HA -0.302 3.813 4.120 -0.009 0.000 0.246 192 V C 2.292 178.186 176.094 -0.335 0.000 1.049 192 V CA 2.132 64.172 62.300 -0.435 0.000 1.024 192 V CB -0.935 30.739 31.823 -0.249 0.000 0.648 192 V HN 0.286 nan 8.190 nan 0.000 0.447 193 F N 0.527 120.418 119.950 -0.099 0.000 2.206 193 F HA -0.090 4.431 4.527 -0.009 0.000 0.298 193 F C 2.240 178.026 175.800 -0.023 0.000 1.090 193 F CA 1.448 59.449 58.000 0.001 0.000 1.323 193 F CB -0.682 38.310 39.000 -0.014 0.000 1.028 193 F HN 0.194 nan 8.300 nan 0.000 0.492 194 D N -0.543 119.877 120.400 0.033 0.000 2.149 194 D HA -0.138 4.497 4.640 -0.009 0.000 0.198 194 D C 2.264 178.502 176.300 -0.102 0.000 0.990 194 D CA 1.791 55.762 54.000 -0.048 0.000 0.839 194 D CB -0.712 40.026 40.800 -0.103 0.000 0.948 194 D HN 0.180 nan 8.370 nan 0.000 0.460 195 T N 0.121 114.512 114.554 -0.272 0.000 2.812 195 T HA -0.099 4.246 4.350 -0.009 0.000 0.264 195 T C 1.635 176.397 174.700 0.104 0.000 1.042 195 T CA 0.432 62.384 62.100 -0.246 0.000 1.140 195 T CB -0.328 68.122 68.868 -0.697 0.000 0.870 195 T HN 0.084 nan 8.240 nan 0.000 0.445 196 F N 2.145 122.086 119.950 -0.015 0.000 2.146 196 F HA 0.012 4.533 4.527 -0.009 0.000 0.298 196 F C 2.365 178.231 175.800 0.111 0.000 1.096 196 F CA 1.303 59.325 58.000 0.037 0.000 1.275 196 F CB -0.493 38.471 39.000 -0.060 0.000 1.008 196 F HN 0.184 nan 8.300 nan 0.000 0.480 197 E N -0.220 119.975 120.200 -0.007 0.000 2.065 197 E HA -0.382 3.963 4.350 -0.009 0.000 0.201 197 E C 2.248 178.792 176.600 -0.095 0.000 1.016 197 E CA 1.883 58.225 56.400 -0.096 0.000 0.818 197 E CB -0.351 29.347 29.700 -0.003 0.000 0.749 197 E HN 0.433 nan 8.360 nan 0.000 0.453 198 Q N -0.074 119.717 119.800 -0.014 0.000 2.079 198 Q HA -0.170 4.165 4.340 -0.009 0.000 0.200 198 Q C 1.636 177.653 176.000 0.028 0.000 0.974 198 Q CA 2.094 57.901 55.803 0.005 0.000 0.840 198 Q CB -0.778 27.981 28.738 0.035 0.000 0.898 198 Q HN 0.554 nan 8.270 nan 0.000 0.430 199 W N 0.279 121.535 121.300 -0.074 0.000 2.318 199 W HA -0.218 4.436 4.660 -0.009 0.000 0.313 199 W C 1.532 177.957 176.519 -0.156 0.000 1.221 199 W CA 1.883 59.207 57.345 -0.035 0.000 1.266 199 W CB -0.372 29.163 29.460 0.124 0.000 1.150 199 W HN 0.223 nan 8.180 nan 0.000 0.496 200 L N 0.623 121.726 121.223 -0.200 0.000 2.012 200 L HA -0.297 4.038 4.340 -0.009 0.000 0.210 200 L C 2.569 179.227 176.870 -0.354 0.000 1.073 200 L CA 1.998 56.601 54.840 -0.394 0.000 0.748 200 L CB -0.961 40.843 42.059 -0.426 0.000 0.891 200 L HN -0.049 nan 8.230 nan 0.000 0.431 201 K N -0.335 119.921 120.400 -0.241 0.000 2.103 201 K HA -0.175 4.140 4.320 -0.009 0.000 0.207 201 K C 1.299 177.778 176.600 -0.202 0.000 1.048 201 K CA 1.357 57.537 56.287 -0.179 0.000 0.930 201 K CB -0.181 32.250 32.500 -0.115 0.000 0.716 201 K HN 0.288 nan 8.250 nan 0.000 0.444 202 D N 0.059 120.307 120.400 -0.253 0.000 2.349 202 D HA 0.006 4.641 4.640 -0.009 0.000 0.224 202 D C -0.181 175.894 176.300 -0.375 0.000 1.029 202 D CA 0.579 54.426 54.000 -0.255 0.000 0.879 202 D CB 0.450 41.138 40.800 -0.187 0.000 0.906 202 D HN -0.050 nan 8.370 nan 0.000 0.528 203 S N 0.965 116.362 115.700 -0.505 0.000 2.204 203 S HA 0.163 4.627 4.470 -0.009 0.000 0.178 203 S C -1.887 172.500 174.600 -0.355 0.000 1.493 203 S CA -0.865 57.003 58.200 -0.553 0.000 1.266 203 S CB 1.675 64.210 63.200 -1.109 0.000 1.232 203 S HN 0.083 nan 8.310 nan 0.000 0.406 204 P HA -0.168 nan 4.420 nan 0.000 0.223 204 P C 1.500 178.735 177.300 -0.109 0.000 1.151 204 P CA 0.976 63.987 63.100 -0.149 0.000 0.787 204 P CB 0.162 31.797 31.700 -0.109 0.000 0.788 205 Q N -0.146 119.591 119.800 -0.106 0.000 2.311 205 Q HA -0.003 4.331 4.340 -0.009 0.000 0.203 205 Q C 0.146 176.125 176.000 -0.035 0.000 0.954 205 Q CA 0.963 56.732 55.803 -0.056 0.000 0.885 205 Q CB -1.535 27.178 28.738 -0.042 0.000 0.963 205 Q HN 0.062 nan 8.270 nan 0.000 0.471 206 T N 3.311 117.821 114.554 -0.074 0.000 2.737 206 T HA 0.099 4.444 4.350 -0.009 0.000 0.296 206 T C 0.080 174.787 174.700 0.012 0.000 0.922 206 T CA -0.273 61.817 62.100 -0.017 0.000 1.079 206 T CB 0.906 69.740 68.868 -0.057 0.000 0.892 206 T HN 0.177 nan 8.240 nan 0.000 0.514 207 D N 2.041 122.478 120.400 0.062 0.000 2.216 207 D HA 0.051 4.686 4.640 -0.009 0.000 0.208 207 D C 0.481 176.813 176.300 0.053 0.000 0.960 207 D CA 0.748 54.788 54.000 0.066 0.000 0.861 207 D CB 0.555 41.413 40.800 0.097 0.000 0.985 207 D HN 0.279 nan 8.370 nan 0.000 0.493 208 V N 2.044 121.970 119.914 0.020 0.000 2.483 208 V HA 0.188 4.303 4.120 -0.009 0.000 0.297 208 V C -0.034 175.990 176.094 -0.117 0.000 1.027 208 V CA -0.802 61.423 62.300 -0.125 0.000 0.855 208 V CB 2.464 33.982 31.823 -0.508 0.000 0.995 208 V HN -0.215 nan 8.190 nan 0.000 0.424 209 V N 5.492 125.336 119.914 -0.115 0.000 2.405 209 V HA 0.319 4.434 4.120 -0.009 0.000 0.264 209 V C 0.739 176.576 176.094 -0.428 0.000 1.048 209 V CA -0.317 61.815 62.300 -0.280 0.000 0.966 209 V CB 0.537 32.114 31.823 -0.410 0.000 1.015 209 V HN 0.790 nan 8.190 nan 0.000 0.477 210 R N 4.982 125.254 120.500 -0.379 0.000 2.565 210 R HA 0.306 4.641 4.340 -0.009 0.000 0.286 210 R C -0.864 175.223 176.300 -0.355 0.000 1.256 210 R CA -0.517 55.416 56.100 -0.280 0.000 1.238 210 R CB -0.008 30.206 30.300 -0.143 0.000 1.153 210 R HN 0.541 nan 8.270 nan 0.000 0.553 211 F N 1.808 121.583 119.950 -0.292 0.000 2.533 211 F HA 0.052 4.573 4.527 -0.009 0.000 0.378 211 F C 0.879 176.421 175.800 -0.430 0.000 1.070 211 F CA 0.667 58.379 58.000 -0.480 0.000 1.172 211 F CB 1.237 39.717 39.000 -0.867 0.000 1.085 211 F HN 0.227 nan 8.300 nan 0.000 0.552 212 T N 2.197 116.654 114.554 -0.162 0.000 3.514 212 T HA 0.273 4.618 4.350 -0.009 0.000 0.259 212 T C 0.430 175.208 174.700 0.130 0.000 1.466 212 T CA -0.323 61.784 62.100 0.012 0.000 1.562 212 T CB 0.417 69.275 68.868 -0.017 0.000 0.924 212 T HN 0.629 nan 8.240 nan 0.000 0.678 213 T N -0.205 114.357 114.554 0.015 0.000 2.639 213 T HA 0.522 4.866 4.350 -0.009 0.000 0.156 213 T C -0.049 174.271 174.700 -0.632 0.000 0.817 213 T CA -0.044 61.917 62.100 -0.231 0.000 0.914 213 T CB 0.216 69.101 68.868 0.028 0.000 2.461 213 T HN 0.176 nan 8.240 nan 0.000 0.367 214 F N -0.555 119.268 119.950 -0.212 0.000 2.126 214 F HA 0.533 5.054 4.527 -0.009 0.000 0.200 214 F C 0.997 176.420 175.800 -0.628 0.000 1.294 214 F CA -0.657 56.901 58.000 -0.737 0.000 1.267 214 F CB -0.172 38.174 39.000 -1.089 0.000 1.855 214 F HN 0.170 nan 8.300 nan 0.000 0.193 215 F N -1.926 118.083 119.950 0.098 0.000 2.712 215 F HA 0.287 4.808 4.527 -0.009 0.000 0.297 215 F C -0.708 174.765 175.800 -0.545 0.000 1.114 215 F CA -0.681 57.171 58.000 -0.247 0.000 1.305 215 F CB -0.299 38.493 39.000 -0.348 0.000 1.086 215 F HN -0.107 nan 8.300 nan 0.000 0.599 216 Y N 0.706 121.163 120.300 0.261 0.000 2.346 216 Y HA 0.503 5.048 4.550 -0.009 0.000 0.332 216 Y C -0.042 175.920 175.900 0.103 0.000 0.985 216 Y CA -1.857 56.350 58.100 0.180 0.000 1.112 216 Y CB 1.151 39.723 38.460 0.187 0.000 1.170 216 Y HN -0.236 nan 8.280 nan 0.000 0.447 217 Q N 3.847 123.761 119.800 0.190 0.000 2.313 217 Q HA 0.230 4.564 4.340 -0.009 0.000 0.266 217 Q C -0.635 175.396 176.000 0.053 0.000 0.989 217 Q CA -0.509 55.315 55.803 0.035 0.000 0.890 217 Q CB 0.117 28.806 28.738 -0.082 0.000 1.200 217 Q HN 0.461 nan 8.270 nan 0.000 0.396 218 F N 1.136 121.162 119.950 0.127 0.000 2.629 218 F HA 0.218 4.740 4.527 -0.009 0.000 0.369 218 F C 0.355 176.217 175.800 0.104 0.000 1.125 218 F CA -0.687 57.364 58.000 0.085 0.000 1.330 218 F CB -0.379 38.693 39.000 0.120 0.000 1.071 218 F HN 0.381 nan 8.300 nan 0.000 0.595 219 T N 5.218 119.968 114.554 0.326 0.000 2.800 219 T HA 0.273 4.618 4.350 -0.009 0.000 0.283 219 T C -0.429 174.398 174.700 0.211 0.000 0.999 219 T CA 0.369 62.589 62.100 0.200 0.000 1.176 219 T CB -0.068 68.915 68.868 0.191 0.000 0.973 219 T HN 0.654 nan 8.240 nan 0.000 0.519 220 L N 5.891 127.156 121.223 0.070 0.000 2.727 220 L HA 0.466 4.801 4.340 -0.009 0.000 0.255 220 L C -1.580 175.372 176.870 0.137 0.000 0.983 220 L CA -0.109 54.790 54.840 0.098 0.000 0.945 220 L CB 0.710 42.738 42.059 -0.051 0.000 1.242 220 L HN 0.571 nan 8.230 nan 0.000 0.449 221 L N 3.825 125.157 121.223 0.182 0.000 2.362 221 L HA 0.635 4.970 4.340 -0.009 0.000 0.271 221 L C -0.941 176.159 176.870 0.383 0.000 1.002 221 L CA -0.571 54.413 54.840 0.240 0.000 0.818 221 L CB 2.057 44.179 42.059 0.104 0.000 1.298 221 L HN 0.288 nan 8.230 nan 0.000 0.420 222 F N 0.266 120.291 119.950 0.125 0.000 2.523 222 F HA 0.414 4.936 4.527 -0.008 0.000 0.329 222 F C 0.268 176.167 175.800 0.164 0.000 1.061 222 F CA -1.012 57.046 58.000 0.096 0.000 0.967 222 F CB 1.569 40.603 39.000 0.057 0.000 1.218 222 F HN 0.512 nan 8.300 nan 0.000 0.480 223 D N -0.491 119.991 120.400 0.136 0.000 2.487 223 D HA 0.145 4.779 4.640 -0.009 0.000 0.262 223 D C 0.783 177.143 176.300 0.101 0.000 1.130 223 D CA -0.446 53.591 54.000 0.062 0.000 1.038 223 D CB 0.201 40.946 40.800 -0.092 0.000 1.142 223 D HN 0.511 nan 8.370 nan 0.000 0.575 224 E N 0.134 120.386 120.200 0.085 0.000 2.401 224 E HA -0.227 4.118 4.350 -0.009 0.000 0.199 224 E C 0.372 176.997 176.600 0.041 0.000 1.023 224 E CA 1.052 57.532 56.400 0.133 0.000 0.859 224 E CB -0.302 29.461 29.700 0.105 0.000 0.780 224 E HN 0.554 nan 8.360 nan 0.000 0.523 225 K N 0.565 120.935 120.400 -0.050 0.000 2.440 225 K HA 0.240 4.554 4.320 -0.009 0.000 0.206 225 K C -0.208 176.289 176.600 -0.172 0.000 1.025 225 K CA -0.200 56.038 56.287 -0.081 0.000 1.135 225 K CB 0.432 32.893 32.500 -0.065 0.000 0.856 225 K HN 0.011 nan 8.250 nan 0.000 0.502 226 R N 0.542 120.837 120.500 -0.341 0.000 3.776 226 R HA -0.189 4.146 4.340 -0.009 0.000 0.312 226 R C -0.619 175.615 176.300 -0.110 0.000 1.181 226 R CA 0.756 56.546 56.100 -0.516 0.000 0.836 226 R CB -1.872 28.131 30.300 -0.495 0.000 1.324 226 R HN 0.220 nan 8.270 nan 0.000 0.501 227 R N 0.871 121.259 120.500 -0.187 0.000 2.787 227 R HA 0.321 4.655 4.340 -0.009 0.000 0.271 227 R C -0.038 175.716 176.300 -0.910 0.000 0.993 227 R CA -1.042 54.834 56.100 -0.373 0.000 0.993 227 R CB 0.971 31.120 30.300 -0.252 0.000 1.155 227 R HN 0.104 nan 8.270 nan 0.000 0.486 228 E N 1.781 121.262 120.200 -1.198 0.000 2.415 228 E HA -0.103 4.242 4.350 -0.009 0.000 0.263 228 E C 0.112 176.390 176.600 -0.537 0.000 0.995 228 E CA 0.358 56.022 56.400 -1.225 0.000 0.915 228 E CB 0.795 30.071 29.700 -0.707 0.000 0.951 228 E HN 0.442 nan 8.360 nan 0.000 0.449 229 K N 2.807 122.997 120.400 -0.349 0.000 2.286 229 K HA 0.138 4.452 4.320 -0.009 0.000 0.203 229 K C -0.454 176.069 176.600 -0.129 0.000 1.078 229 K CA 0.306 56.488 56.287 -0.175 0.000 0.957 229 K CB 0.837 33.287 32.500 -0.084 0.000 1.018 229 K HN 0.346 nan 8.250 nan 0.000 0.484 230 V N 1.364 121.211 119.914 -0.112 0.000 2.808 230 V HA 0.460 4.575 4.120 -0.009 0.000 0.308 230 V C -1.365 174.708 176.094 -0.034 0.000 1.099 230 V CA -0.956 61.273 62.300 -0.119 0.000 0.920 230 V CB 1.746 33.371 31.823 -0.331 0.000 1.014 230 V HN -0.043 nan 8.190 nan 0.000 0.425 231 V N 3.098 123.027 119.914 0.025 0.000 2.851 231 V HA 0.788 4.902 4.120 -0.009 0.000 0.307 231 V C -2.077 174.122 176.094 0.175 0.000 1.129 231 V CA -0.133 62.247 62.300 0.133 0.000 0.932 231 V CB 2.243 34.140 31.823 0.124 0.000 1.024 231 V HN 1.025 nan 8.190 nan 0.000 0.426 232 D N 4.403 124.962 120.400 0.265 0.000 2.764 232 D HA 0.150 4.785 4.640 -0.009 0.000 0.227 232 D C 0.038 176.468 176.300 0.217 0.000 1.347 232 D CA -0.426 53.730 54.000 0.259 0.000 0.953 232 D CB 1.355 42.331 40.800 0.293 0.000 1.476 232 D HN 0.581 nan 8.370 nan 0.000 0.585 233 W N 4.026 125.148 121.300 -0.297 0.000 2.387 233 W HA -0.086 4.569 4.660 -0.009 0.000 0.272 233 W C 0.698 176.944 176.519 -0.455 0.000 1.224 233 W CA 1.068 57.961 57.345 -0.754 0.000 1.210 233 W CB -0.167 28.725 29.460 -0.946 0.000 1.125 233 W HN 0.408 nan 8.180 nan 0.000 0.572 234 F N -0.668 119.349 119.950 0.112 0.000 2.678 234 F HA 0.423 4.945 4.527 -0.009 0.000 0.305 234 F C 1.649 177.405 175.800 -0.074 0.000 1.090 234 F CA -0.095 57.833 58.000 -0.120 0.000 1.272 234 F CB -0.868 38.043 39.000 -0.149 0.000 1.060 234 F HN -0.259 nan 8.300 nan 0.000 0.576 235 G N 0.503 109.428 108.800 0.208 0.000 2.398 235 G HA2 0.277 4.232 3.960 -0.009 0.000 0.246 235 G HA3 0.277 4.232 3.960 -0.009 0.000 0.246 235 G C 0.148 175.152 174.900 0.173 0.000 1.289 235 G CA -0.311 44.920 45.100 0.219 0.000 0.869 235 G HN 0.531 nan 8.290 nan 0.000 0.543 236 C N 1.949 121.360 119.300 0.186 0.000 2.534 236 C HA 0.671 5.126 4.460 -0.009 0.000 0.285 236 C C 1.869 177.002 174.990 0.237 0.000 1.505 236 C CA -0.500 58.641 59.018 0.205 0.000 1.715 236 C CB -0.583 27.296 27.740 0.231 0.000 2.935 236 C HN 0.832 nan 8.230 nan 0.000 0.540 237 A N -0.065 122.878 122.820 0.205 0.000 1.902 237 A HA -0.111 4.204 4.320 -0.009 0.000 0.217 237 A C 1.448 179.064 177.584 0.053 0.000 1.181 237 A CA 1.725 53.864 52.037 0.169 0.000 0.623 237 A CB -0.783 18.331 19.000 0.189 0.000 0.818 237 A HN 0.796 nan 8.150 nan 0.000 0.443 238 C N 0.952 120.300 119.300 0.081 0.000 2.882 238 C HA 0.415 4.869 4.460 -0.009 0.000 0.492 238 C C 1.578 176.651 174.990 0.139 0.000 1.279 238 C CA 0.506 59.566 59.018 0.070 0.000 1.551 238 C CB -1.995 25.796 27.740 0.085 0.000 2.037 238 C HN 0.689 nan 8.230 nan 0.000 0.625 239 T N -3.850 110.735 114.554 0.052 0.000 3.407 239 T HA 0.223 4.567 4.350 -0.009 0.000 0.308 239 T C 0.006 174.730 174.700 0.040 0.000 0.919 239 T CA 0.052 62.151 62.100 -0.002 0.000 0.960 239 T CB -0.588 68.232 68.868 -0.081 0.000 1.193 239 T HN 0.305 nan 8.240 nan 0.000 0.568 240 V N 0.510 120.349 119.914 -0.125 0.000 2.973 240 V HA 1.015 5.130 4.120 -0.009 0.000 0.314 240 V C -0.302 175.694 176.094 -0.163 0.000 1.066 240 V CA -0.417 61.733 62.300 -0.250 0.000 1.021 240 V CB 1.371 32.752 31.823 -0.737 0.000 1.076 240 V HN 0.815 nan 8.190 nan 0.000 0.462 241 S N 0.310 115.920 115.700 -0.150 0.000 2.552 241 S HA 0.556 5.021 4.470 -0.009 0.000 0.272 241 S C -2.549 172.000 174.600 -0.085 0.000 1.150 241 S CA -0.802 57.350 58.200 -0.081 0.000 0.849 241 S CB 1.294 64.558 63.200 0.107 0.000 1.113 241 S HN 0.457 nan 8.310 nan 0.000 0.458 242 P HA -0.110 nan 4.420 nan 0.000 0.216 242 P C 1.575 178.955 177.300 0.133 0.000 1.150 242 P CA 1.130 64.129 63.100 -0.168 0.000 0.843 242 P CB 0.073 31.481 31.700 -0.487 0.000 0.787 243 R N 0.142 120.743 120.500 0.168 0.000 2.066 243 R HA -0.006 4.329 4.340 -0.009 0.000 0.232 243 R C 2.161 178.602 176.300 0.235 0.000 1.131 243 R CA 1.902 58.152 56.100 0.250 0.000 0.955 243 R CB -1.614 28.887 30.300 0.335 0.000 0.851 243 R HN 0.063 nan 8.270 nan 0.000 0.432 244 A N 0.248 123.083 122.820 0.025 0.000 1.940 244 A HA -0.121 4.194 4.320 -0.009 0.000 0.219 244 A C 2.259 179.892 177.584 0.082 0.000 1.176 244 A CA 1.538 53.469 52.037 -0.177 0.000 0.631 244 A CB -0.612 18.114 19.000 -0.458 0.000 0.814 244 A HN 0.331 nan 8.150 nan 0.000 0.446 245 L N -0.637 120.674 121.223 0.148 0.000 2.056 245 L HA -0.159 4.176 4.340 -0.009 0.000 0.207 245 L C 2.064 179.063 176.870 0.214 0.000 1.078 245 L CA 1.342 56.293 54.840 0.185 0.000 0.749 245 L CB -0.601 41.572 42.059 0.189 0.000 0.901 245 L HN 0.262 nan 8.230 nan 0.000 0.433 246 D N -0.038 120.501 120.400 0.231 0.000 2.117 246 D HA -0.171 4.463 4.640 -0.009 0.000 0.198 246 D C 1.795 178.209 176.300 0.189 0.000 0.982 246 D CA 1.157 55.281 54.000 0.206 0.000 0.828 246 D CB -0.263 40.669 40.800 0.220 0.000 0.967 246 D HN 0.248 nan 8.370 nan 0.000 0.464 247 D N -0.284 120.251 120.400 0.224 0.000 2.144 247 D HA -0.122 4.512 4.640 -0.009 0.000 0.200 247 D C 1.806 178.213 176.300 0.178 0.000 0.978 247 D CA 0.283 54.436 54.000 0.256 0.000 0.833 247 D CB -0.444 40.623 40.800 0.444 0.000 0.961 247 D HN 0.211 nan 8.370 nan 0.000 0.470 248 F N 1.825 121.664 119.950 -0.186 0.000 2.102 248 F HA -0.183 4.339 4.527 -0.009 0.000 0.298 248 F C 2.310 178.075 175.800 -0.058 0.000 1.105 248 F CA 1.707 59.483 58.000 -0.373 0.000 1.239 248 F CB -0.007 38.675 39.000 -0.530 0.000 0.991 248 F HN -0.117 nan 8.300 nan 0.000 0.474 249 E N 0.306 120.619 120.200 0.187 0.000 2.118 249 E HA -0.247 4.098 4.350 -0.009 0.000 0.195 249 E C 2.146 178.744 176.600 -0.002 0.000 0.992 249 E CA 1.125 57.574 56.400 0.082 0.000 0.804 249 E CB -0.340 29.434 29.700 0.125 0.000 0.741 249 E HN 0.498 nan 8.360 nan 0.000 0.458 250 A N 0.582 123.420 122.820 0.031 0.000 2.014 250 A HA -0.119 4.196 4.320 -0.009 0.000 0.218 250 A C 2.037 179.601 177.584 -0.035 0.000 1.163 250 A CA 1.529 53.578 52.037 0.020 0.000 0.652 250 A CB -0.195 18.841 19.000 0.059 0.000 0.808 250 A HN 0.102 nan 8.150 nan 0.000 0.449 251 K N -1.449 118.907 120.400 -0.074 0.000 2.128 251 K HA 0.080 4.395 4.320 -0.009 0.000 0.202 251 K C 1.216 177.534 176.600 -0.471 0.000 1.050 251 K CA 1.264 57.434 56.287 -0.195 0.000 0.966 251 K CB -0.444 32.021 32.500 -0.059 0.000 0.759 251 K HN 0.468 nan 8.250 nan 0.000 0.454 252 Y N -0.915 119.104 120.300 -0.469 0.000 2.509 252 Y HA 0.249 4.794 4.550 -0.009 0.000 0.270 252 Y C 1.189 176.998 175.900 -0.152 0.000 1.103 252 Y CA 0.517 58.343 58.100 -0.456 0.000 1.278 252 Y CB 0.923 38.725 38.460 -1.096 0.000 1.087 252 Y HN 0.268 nan 8.280 nan 0.000 0.542 253 G N 0.035 108.813 108.800 -0.036 0.000 2.132 253 G HA2 -0.286 3.669 3.960 -0.009 0.000 0.228 253 G HA3 -0.286 3.669 3.960 -0.009 0.000 0.228 253 G C -0.429 174.623 174.900 0.253 0.000 1.000 253 G CA 0.238 45.394 45.100 0.093 0.000 0.693 253 G HN 0.536 nan 8.290 nan 0.000 0.515 254 Y N -2.914 117.458 120.300 0.120 0.000 2.624 254 Y HA 0.787 5.332 4.550 -0.009 0.000 0.334 254 Y C -0.447 175.594 175.900 0.235 0.000 1.155 254 Y CA -1.811 56.378 58.100 0.149 0.000 1.046 254 Y CB 0.790 39.332 38.460 0.137 0.000 1.316 254 Y HN 0.216 nan 8.280 nan 0.000 0.457 255 R N 2.623 123.252 120.500 0.215 0.000 2.308 255 R HA 0.549 4.884 4.340 -0.009 0.000 0.305 255 R C -1.139 175.242 176.300 0.134 0.000 1.053 255 R CA -0.491 55.688 56.100 0.130 0.000 0.957 255 R CB 0.597 30.959 30.300 0.104 0.000 1.022 255 R HN 0.868 nan 8.270 nan 0.000 0.461 256 L N 4.737 125.956 121.223 -0.006 0.000 2.426 256 L HA 0.251 4.586 4.340 -0.009 0.000 0.271 256 L C 0.751 177.606 176.870 -0.025 0.000 1.169 256 L CA 0.075 54.870 54.840 -0.075 0.000 0.836 256 L CB 0.723 42.600 42.059 -0.304 0.000 1.112 256 L HN 0.580 nan 8.230 nan 0.000 0.465 257 R N 3.314 123.776 120.500 -0.063 0.000 2.528 257 R HA 0.193 4.528 4.340 -0.009 0.000 0.271 257 R C -1.564 174.601 176.300 -0.225 0.000 1.056 257 R CA -1.600 54.442 56.100 -0.097 0.000 1.117 257 R CB 0.466 30.714 30.300 -0.088 0.000 1.085 257 R HN 0.334 nan 8.270 nan 0.000 0.530 258 P HA -0.224 nan 4.420 nan 0.000 0.217 258 P C 0.742 177.753 177.300 -0.481 0.000 1.148 258 P CA 1.276 63.843 63.100 -0.888 0.000 0.834 258 P CB 0.288 31.557 31.700 -0.718 0.000 0.783 259 E N -0.299 119.722 120.200 -0.298 0.000 2.204 259 E HA -0.179 4.165 4.350 -0.009 0.000 0.195 259 E C 1.447 177.896 176.600 -0.251 0.000 0.990 259 E CA 1.140 57.401 56.400 -0.232 0.000 0.821 259 E CB -0.937 28.667 29.700 -0.160 0.000 0.750 259 E HN 0.195 nan 8.360 nan 0.000 0.477 260 D N -1.234 118.984 120.400 -0.304 0.000 2.350 260 D HA -0.109 4.526 4.640 -0.009 0.000 0.216 260 D C 0.866 176.753 176.300 -0.689 0.000 0.968 260 D CA 0.693 54.422 54.000 -0.451 0.000 0.894 260 D CB 0.071 40.565 40.800 -0.510 0.000 0.909 260 D HN 0.289 nan 8.370 nan 0.000 0.520 261 F N -0.349 119.393 119.950 -0.346 0.000 2.490 261 F HA -0.035 4.486 4.527 -0.009 0.000 0.280 261 F C 2.335 177.977 175.800 -0.263 0.000 1.030 261 F CA 0.074 57.901 58.000 -0.289 0.000 1.367 261 F CB -0.545 38.292 39.000 -0.272 0.000 1.131 261 F HN -0.192 nan 8.300 nan 0.000 0.632 262 V N -2.133 117.659 119.914 -0.202 0.000 2.591 262 V HA -0.019 4.096 4.120 -0.009 0.000 0.249 262 V C 0.680 176.513 176.094 -0.436 0.000 1.053 262 V CA 1.268 63.266 62.300 -0.503 0.000 1.068 262 V CB -0.642 30.879 31.823 -0.504 0.000 0.689 262 V HN 0.458 nan 8.190 nan 0.000 0.462 263 D N 0.696 120.939 120.400 -0.261 0.000 2.716 263 D HA -0.091 4.543 4.640 -0.009 0.000 0.239 263 D C 1.180 177.393 176.300 -0.144 0.000 1.125 263 D CA 1.427 55.324 54.000 -0.171 0.000 0.681 263 D CB -1.571 39.163 40.800 -0.110 0.000 1.070 263 D HN 1.561 nan 8.370 nan 0.000 0.432 264 G N -0.780 107.926 108.800 -0.157 0.000 2.186 264 G HA2 -0.039 3.915 3.960 -0.009 0.000 0.266 264 G HA3 -0.039 3.915 3.960 -0.009 0.000 0.266 264 G C 1.424 176.261 174.900 -0.105 0.000 0.982 264 G CA 1.067 46.099 45.100 -0.114 0.000 0.670 264 G HN 1.803 nan 8.290 nan 0.000 0.533 265 G N -2.165 106.529 108.800 -0.177 0.000 2.229 265 G HA2 0.231 4.186 3.960 -0.009 0.000 0.189 265 G HA3 0.231 4.186 3.960 -0.009 0.000 0.189 265 G C 1.193 176.127 174.900 0.055 0.000 1.000 265 G CA 1.129 46.171 45.100 -0.096 0.000 0.663 265 G HN 1.866 nan 8.290 nan 0.000 0.493 266 A N -0.328 122.504 122.820 0.020 0.000 2.072 266 A HA 0.499 4.814 4.320 -0.009 0.000 0.216 266 A C 1.331 179.071 177.584 0.260 0.000 1.156 266 A CA 1.532 53.650 52.037 0.135 0.000 0.701 266 A CB -0.443 18.610 19.000 0.087 0.000 0.816 266 A HN 1.378 nan 8.150 nan 0.000 0.458 267 Y N -0.622 119.716 120.300 0.064 0.000 3.491 267 Y HA -0.267 4.278 4.550 -0.009 0.000 0.215 267 Y C 0.554 176.514 175.900 0.101 0.000 1.219 267 Y CA 0.633 58.782 58.100 0.080 0.000 1.485 267 Y CB -2.477 36.043 38.460 0.100 0.000 1.450 267 Y HN 0.586 nan 8.280 nan 0.000 0.603 268 N N -1.434 117.366 118.700 0.166 0.000 2.727 268 N HA -0.206 4.529 4.740 -0.009 0.000 0.249 268 N C 0.322 175.981 175.510 0.249 0.000 1.048 268 N CA 1.166 54.313 53.050 0.163 0.000 0.714 268 N CB -1.015 37.543 38.487 0.118 0.000 0.959 268 N HN 0.608 nan 8.380 nan 0.000 0.544 269 S N -0.663 115.203 115.700 0.278 0.000 2.571 269 S HA 0.189 4.654 4.470 -0.009 0.000 0.298 269 S C 1.611 176.456 174.600 0.408 0.000 1.280 269 S CA 0.359 58.770 58.200 0.352 0.000 1.052 269 S CB 0.767 64.167 63.200 0.333 0.000 0.799 269 S HN 0.442 nan 8.310 nan 0.000 0.501 270 A N 4.133 127.244 122.820 0.485 0.000 2.172 270 A HA 0.035 4.349 4.320 -0.009 0.000 0.216 270 A C 1.379 179.208 177.584 0.409 0.000 1.154 270 A CA 0.750 53.039 52.037 0.420 0.000 0.701 270 A CB -0.674 18.419 19.000 0.156 0.000 0.789 270 A HN 0.967 nan 8.150 nan 0.000 0.465 271 W N 0.575 122.034 121.300 0.265 0.000 2.584 271 W HA 0.119 4.773 4.660 -0.009 0.000 0.264 271 W C 0.929 177.454 176.519 0.011 0.000 1.264 271 W CA 0.057 57.504 57.345 0.171 0.000 1.306 271 W CB 0.138 29.805 29.460 0.346 0.000 1.110 271 W HN 0.053 nan 8.180 nan 0.000 0.606 272 R N 0.986 121.642 120.500 0.260 0.000 2.543 272 R HA 0.109 4.443 4.340 -0.009 0.000 0.277 272 R C -0.080 176.187 176.300 -0.055 0.000 1.074 272 R CA -0.260 55.905 56.100 0.109 0.000 1.076 272 R CB 0.484 30.850 30.300 0.111 0.000 0.993 272 R HN -0.256 nan 8.270 nan 0.000 0.459 273 V N 6.022 125.868 119.914 -0.113 0.000 2.506 273 V HA -0.033 4.082 4.120 -0.009 0.000 0.296 273 V C -1.738 174.202 176.094 -0.255 0.000 1.004 273 V CA -0.598 61.563 62.300 -0.233 0.000 1.150 273 V CB -0.079 31.640 31.823 -0.172 0.000 0.911 273 V HN 0.588 nan 8.190 nan 0.000 0.476 274 P HA 0.254 nan 4.420 nan 0.000 0.268 274 P C -0.194 176.962 177.300 -0.240 0.000 1.204 274 P CA -0.004 62.867 63.100 -0.381 0.000 0.768 274 P CB 0.536 31.761 31.700 -0.792 0.000 0.842 275 R N 1.887 122.303 120.500 -0.141 0.000 2.573 275 R HA 0.263 4.598 4.340 -0.009 0.000 0.272 275 R C 1.606 177.861 176.300 -0.075 0.000 1.009 275 R CA -0.803 55.230 56.100 -0.112 0.000 1.059 275 R CB 0.857 31.097 30.300 -0.100 0.000 1.112 275 R HN 0.383 nan 8.270 nan 0.000 0.517 276 K N 1.686 122.049 120.400 -0.062 0.000 2.044 276 K HA -0.246 4.069 4.320 -0.009 0.000 0.210 276 K C 1.774 178.409 176.600 0.059 0.000 1.049 276 K CA 2.125 58.407 56.287 -0.008 0.000 0.927 276 K CB -0.235 32.246 32.500 -0.030 0.000 0.713 276 K HN 0.676 nan 8.250 nan 0.000 0.443 277 A N 0.846 123.687 122.820 0.035 0.000 1.917 277 A HA -0.278 4.037 4.320 -0.009 0.000 0.219 277 A C 2.100 179.675 177.584 -0.016 0.000 1.182 277 A CA 1.966 54.036 52.037 0.055 0.000 0.633 277 A CB -0.681 18.280 19.000 -0.066 0.000 0.819 277 A HN 0.581 nan 8.150 nan 0.000 0.448 278 Q N -0.942 118.837 119.800 -0.035 0.000 2.050 278 Q HA -0.164 4.171 4.340 -0.009 0.000 0.202 278 Q C 2.435 178.519 176.000 0.140 0.000 0.980 278 Q CA 1.607 57.427 55.803 0.028 0.000 0.840 278 Q CB -0.170 28.607 28.738 0.066 0.000 0.898 278 Q HN 0.648 nan 8.270 nan 0.000 0.424 279 R N 0.471 121.046 120.500 0.125 0.000 2.081 279 R HA -0.128 4.207 4.340 -0.009 0.000 0.235 279 R C 1.762 178.159 176.300 0.162 0.000 1.131 279 R CA 1.371 57.562 56.100 0.151 0.000 0.960 279 R CB -0.189 30.174 30.300 0.106 0.000 0.856 279 R HN 0.272 nan 8.270 nan 0.000 0.436 280 D N 0.008 120.509 120.400 0.169 0.000 2.104 280 D HA -0.232 4.402 4.640 -0.009 0.000 0.194 280 D C 1.475 177.835 176.300 0.100 0.000 0.994 280 D CA 0.847 54.920 54.000 0.121 0.000 0.830 280 D CB -0.336 40.597 40.800 0.222 0.000 0.959 280 D HN 0.341 nan 8.370 nan 0.000 0.452 281 W N 1.366 122.652 121.300 -0.024 0.000 2.379 281 W HA -0.119 4.536 4.660 -0.009 0.000 0.307 281 W C 2.046 178.631 176.519 0.110 0.000 1.200 281 W CA 0.681 58.009 57.345 -0.028 0.000 1.297 281 W CB -0.390 28.944 29.460 -0.210 0.000 1.140 281 W HN -0.061 nan 8.180 nan 0.000 0.507 282 I N 0.992 121.654 120.570 0.154 0.000 2.151 282 I HA -0.385 3.779 4.170 -0.009 0.000 0.243 282 I C 2.115 178.254 176.117 0.036 0.000 1.080 282 I CA 1.952 63.293 61.300 0.069 0.000 1.339 282 I CB -0.684 37.383 38.000 0.112 0.000 1.039 282 I HN -0.123 nan 8.210 nan 0.000 0.409 283 D N 0.406 120.867 120.400 0.102 0.000 2.084 283 D HA -0.211 4.424 4.640 -0.009 0.000 0.194 283 D C 1.916 178.310 176.300 0.157 0.000 0.990 283 D CA 1.274 55.364 54.000 0.150 0.000 0.826 283 D CB -0.476 40.480 40.800 0.260 0.000 0.971 283 D HN 0.274 nan 8.370 nan 0.000 0.453 284 F N 1.086 121.037 119.950 0.001 0.000 2.069 284 F HA -0.212 4.309 4.527 -0.009 0.000 0.298 284 F C 2.131 177.851 175.800 -0.134 0.000 1.113 284 F CA 1.075 59.065 58.000 -0.018 0.000 1.214 284 F CB -0.351 38.551 39.000 -0.163 0.000 0.978 284 F HN -0.100 nan 8.300 nan 0.000 0.474 285 L N -0.325 120.725 121.223 -0.288 0.000 2.093 285 L HA -0.153 4.181 4.340 -0.009 0.000 0.208 285 L C 2.726 179.544 176.870 -0.085 0.000 1.085 285 L CA 1.954 56.601 54.840 -0.321 0.000 0.755 285 L CB -1.147 40.677 42.059 -0.391 0.000 0.904 285 L HN 0.304 nan 8.230 nan 0.000 0.435 286 S N -1.009 114.657 115.700 -0.057 0.000 2.368 286 S HA -0.109 4.355 4.470 -0.009 0.000 0.224 286 S C 2.039 176.637 174.600 -0.003 0.000 1.029 286 S CA 1.105 59.304 58.200 -0.002 0.000 0.988 286 S CB -0.620 62.586 63.200 0.009 0.000 0.838 286 S HN 0.605 nan 8.310 nan 0.000 0.462 287 G N 0.594 109.381 108.800 -0.021 0.000 2.491 287 G HA2 -0.241 3.714 3.960 -0.009 0.000 0.218 287 G HA3 -0.241 3.714 3.960 -0.009 0.000 0.218 287 G C 1.272 176.151 174.900 -0.035 0.000 1.180 287 G CA 1.052 46.133 45.100 -0.031 0.000 0.774 287 G HN 0.565 nan 8.290 nan 0.000 0.562 288 F N 1.297 121.132 119.950 -0.192 0.000 2.069 288 F HA -0.111 4.410 4.527 -0.009 0.000 0.298 288 F C 2.739 178.527 175.800 -0.020 0.000 1.113 288 F CA 1.756 59.676 58.000 -0.134 0.000 1.214 288 F CB -0.479 38.428 39.000 -0.155 0.000 0.978 288 F HN 0.010 nan 8.300 nan 0.000 0.474 289 V N 1.028 120.942 119.914 -0.001 0.000 2.287 289 V HA -0.312 3.803 4.120 -0.009 0.000 0.248 289 V C 2.550 178.589 176.094 -0.092 0.000 1.053 289 V CA 2.364 64.690 62.300 0.044 0.000 1.027 289 V CB -0.752 31.222 31.823 0.253 0.000 0.646 289 V HN 0.293 nan 8.190 nan 0.000 0.447 290 R N 0.269 120.708 120.500 -0.102 0.000 2.081 290 R HA -0.197 4.137 4.340 -0.009 0.000 0.235 290 R C 2.418 178.603 176.300 -0.192 0.000 1.131 290 R CA 1.814 57.827 56.100 -0.146 0.000 0.960 290 R CB -0.384 29.865 30.300 -0.085 0.000 0.856 290 R HN 0.840 nan 8.270 nan 0.000 0.436 291 E N 0.445 120.528 120.200 -0.194 0.000 2.110 291 E HA -0.185 4.159 4.350 -0.009 0.000 0.193 291 E C 1.380 177.849 176.600 -0.218 0.000 0.988 291 E CA 1.087 57.367 56.400 -0.200 0.000 0.804 291 E CB -0.299 29.289 29.700 -0.187 0.000 0.745 291 E HN 0.314 nan 8.360 nan 0.000 0.458 292 N N 0.887 119.428 118.700 -0.266 0.000 2.216 292 N HA -0.081 4.653 4.740 -0.009 0.000 0.183 292 N C 2.061 177.580 175.510 0.015 0.000 1.017 292 N CA 1.203 54.187 53.050 -0.111 0.000 0.861 292 N CB 0.050 38.269 38.487 -0.448 0.000 0.986 292 N HN 0.094 nan 8.380 nan 0.000 0.428 293 V N 1.902 121.701 119.914 -0.191 0.000 2.358 293 V HA -0.200 3.914 4.120 -0.009 0.000 0.246 293 V C 2.531 178.366 176.094 -0.432 0.000 1.047 293 V CA 1.426 63.354 62.300 -0.620 0.000 1.035 293 V CB -0.422 30.802 31.823 -0.998 0.000 0.658 293 V HN 0.300 nan 8.190 nan 0.000 0.452 294 K N -0.081 120.143 120.400 -0.294 0.000 2.032 294 K HA -0.304 4.011 4.320 -0.009 0.000 0.209 294 K C 2.301 178.814 176.600 -0.145 0.000 1.048 294 K CA 2.213 58.374 56.287 -0.210 0.000 0.927 294 K CB -0.185 32.214 32.500 -0.168 0.000 0.712 294 K HN 0.534 nan 8.250 nan 0.000 0.441 295 Q N 0.603 120.329 119.800 -0.123 0.000 2.061 295 Q HA -0.174 4.160 4.340 -0.009 0.000 0.204 295 Q C 2.140 178.172 176.000 0.053 0.000 0.984 295 Q CA 1.728 57.481 55.803 -0.084 0.000 0.846 295 Q CB -0.099 28.501 28.738 -0.230 0.000 0.902 295 Q HN 0.394 nan 8.270 nan 0.000 0.421 296 L N -0.035 121.234 121.223 0.077 0.000 2.083 296 L HA -0.176 4.159 4.340 -0.009 0.000 0.209 296 L C 2.539 179.425 176.870 0.026 0.000 1.083 296 L CA 0.959 55.821 54.840 0.036 0.000 0.752 296 L CB -0.603 41.217 42.059 -0.397 0.000 0.899 296 L HN 0.343 nan 8.230 nan 0.000 0.433 297 A N -0.258 122.473 122.820 -0.147 0.000 1.898 297 A HA -0.201 4.114 4.320 -0.009 0.000 0.216 297 A C 1.916 179.330 177.584 -0.283 0.000 1.181 297 A CA 1.706 53.598 52.037 -0.242 0.000 0.620 297 A CB -0.425 18.430 19.000 -0.242 0.000 0.819 297 A HN 0.323 nan 8.150 nan 0.000 0.442 298 D N -0.151 120.215 120.400 -0.057 0.000 2.104 298 D HA -0.167 4.468 4.640 -0.009 0.000 0.194 298 D C 2.035 178.381 176.300 0.077 0.000 0.994 298 D CA 1.599 55.629 54.000 0.050 0.000 0.830 298 D CB -0.387 40.427 40.800 0.023 0.000 0.959 298 D HN 0.495 nan 8.370 nan 0.000 0.452 299 M N 0.450 120.123 119.600 0.122 0.000 2.086 299 M HA -0.148 4.327 4.480 -0.009 0.000 0.261 299 M C 2.400 178.777 176.300 0.130 0.000 1.067 299 M CA 1.134 56.529 55.300 0.158 0.000 1.116 299 M CB -0.196 32.593 32.600 0.316 0.000 1.348 299 M HN -0.129 nan 8.290 nan 0.000 0.407 300 S N -0.563 115.272 115.700 0.225 0.000 2.365 300 S HA -0.210 4.254 4.470 -0.009 0.000 0.225 300 S C 1.638 176.293 174.600 0.091 0.000 1.039 300 S CA 1.582 59.877 58.200 0.159 0.000 1.033 300 S CB -0.798 62.524 63.200 0.203 0.000 0.887 300 S HN 0.566 nan 8.310 nan 0.000 0.447 301 H N 0.887 120.023 119.070 0.110 0.000 2.353 301 H HA 0.047 4.598 4.556 -0.009 0.000 0.300 301 H C 2.469 177.816 175.328 0.032 0.000 1.090 301 H CA 0.899 56.983 56.048 0.060 0.000 1.327 301 H CB -0.189 29.600 29.762 0.045 0.000 1.383 301 H HN 0.445 nan 8.280 nan 0.000 0.508 302 A N 1.046 123.954 122.820 0.147 0.000 1.972 302 A HA -0.071 4.243 4.320 -0.009 0.000 0.219 302 A C 2.337 179.939 177.584 0.031 0.000 1.169 302 A CA 1.312 53.389 52.037 0.068 0.000 0.635 302 A CB -0.661 18.364 19.000 0.041 0.000 0.810 302 A HN 0.463 nan 8.150 nan 0.000 0.446 303 A N -1.446 121.384 122.820 0.017 0.000 2.238 303 A HA 0.411 4.726 4.320 -0.009 0.000 0.208 303 A C 1.647 179.231 177.584 0.000 0.000 1.177 303 A CA 1.068 53.091 52.037 -0.023 0.000 0.804 303 A CB -1.130 17.821 19.000 -0.081 0.000 0.823 303 A HN 1.906 nan 8.150 nan 0.000 0.482 304 G N -0.262 108.565 108.800 0.045 0.000 2.225 304 G HA2 -0.247 3.708 3.960 -0.009 0.000 0.264 304 G HA3 -0.247 3.708 3.960 -0.009 0.000 0.264 304 G C -0.062 174.878 174.900 0.067 0.000 1.060 304 G CA 0.656 45.788 45.100 0.054 0.000 0.833 304 G HN 0.633 nan 8.290 nan 0.000 0.498 305 K N -0.295 120.165 120.400 0.101 0.000 2.340 305 K HA 0.539 4.853 4.320 -0.009 0.000 0.244 305 K C -0.044 176.660 176.600 0.174 0.000 0.973 305 K CA -0.928 55.420 56.287 0.103 0.000 0.828 305 K CB 2.037 34.579 32.500 0.071 0.000 1.226 305 K HN 0.290 nan 8.250 nan 0.000 0.437 306 E N 0.676 120.963 120.200 0.145 0.000 2.313 306 E HA 0.347 4.691 4.350 -0.009 0.000 0.272 306 E C -0.855 175.805 176.600 0.100 0.000 1.038 306 E CA -0.656 55.849 56.400 0.175 0.000 0.863 306 E CB 1.469 31.267 29.700 0.162 0.000 1.060 306 E HN 0.548 nan 8.360 nan 0.000 0.402 307 A N 3.518 126.404 122.820 0.111 0.000 2.288 307 A HA 0.531 4.846 4.320 -0.009 0.000 0.320 307 A C -0.628 177.025 177.584 0.114 0.000 1.217 307 A CA -0.537 51.597 52.037 0.161 0.000 0.840 307 A CB 0.606 19.715 19.000 0.182 0.000 1.179 307 A HN 0.656 nan 8.150 nan 0.000 0.504 308 M N 4.143 123.812 119.600 0.114 0.000 2.326 308 M HA 0.622 5.097 4.480 -0.009 0.000 0.306 308 M C -1.112 175.266 176.300 0.130 0.000 1.054 308 M CA -0.563 54.752 55.300 0.025 0.000 0.922 308 M CB 1.682 34.211 32.600 -0.119 0.000 1.632 308 M HN 0.849 nan 8.290 nan 0.000 0.436 309 M N 4.536 124.213 119.600 0.128 0.000 2.336 309 M HA 0.433 4.907 4.480 -0.009 0.000 0.342 309 M C -1.773 174.600 176.300 0.121 0.000 1.128 309 M CA -0.643 54.730 55.300 0.121 0.000 1.016 309 M CB 1.399 34.174 32.600 0.291 0.000 1.665 309 M HN 0.775 nan 8.290 nan 0.000 0.445 310 F N 5.541 125.447 119.950 -0.074 0.000 2.438 310 F HA 0.333 4.855 4.527 -0.009 0.000 0.356 310 F C -0.832 174.941 175.800 -0.046 0.000 1.099 310 F CA -0.745 57.221 58.000 -0.058 0.000 1.185 310 F CB 0.674 39.634 39.000 -0.066 0.000 1.115 310 F HN 0.574 nan 8.300 nan 0.000 0.526 311 L N 7.532 128.346 121.223 -0.681 0.000 2.415 311 L HA 0.536 4.870 4.340 -0.009 0.000 0.269 311 L C 0.139 176.245 176.870 -1.274 0.000 1.244 311 L CA 0.777 55.166 54.840 -0.752 0.000 1.113 311 L CB -0.991 40.781 42.059 -0.478 0.000 1.352 311 L HN 0.852 nan 8.230 nan 0.000 0.433 312 G N 1.381 109.512 108.800 -1.115 0.000 2.345 312 G HA2 0.211 4.165 3.960 -0.009 0.000 0.285 312 G HA3 0.211 4.165 3.960 -0.009 0.000 0.285 312 G C -0.749 174.232 174.900 0.135 0.000 1.297 312 G CA -0.193 44.466 45.100 -0.734 0.000 0.875 312 G HN 0.310 nan 8.290 nan 0.000 0.506 313 D N -0.696 120.071 120.400 0.612 0.000 3.740 313 D HA -0.204 4.431 4.640 -0.009 0.000 0.147 313 D C 1.216 177.796 176.300 0.466 0.000 0.885 313 D CA 2.068 56.383 54.000 0.525 0.000 1.051 313 D CB -0.719 40.315 40.800 0.391 0.000 0.480 313 D HN 0.627 nan 8.370 nan 0.000 0.469 314 Q N 1.136 121.101 119.800 0.275 0.000 3.141 314 Q HA 0.112 4.447 4.340 -0.009 0.000 0.304 314 Q C 0.793 176.961 176.000 0.280 0.000 1.305 314 Q CA -0.060 55.871 55.803 0.214 0.000 0.929 314 Q CB -0.737 28.053 28.738 0.088 0.000 1.701 314 Q HN 0.526 nan 8.270 nan 0.000 0.483 315 W N -0.695 120.650 121.300 0.074 0.000 3.278 315 W HA 0.256 4.911 4.660 -0.009 0.000 0.308 315 W C -0.823 175.729 176.519 0.055 0.000 1.253 315 W CA -0.553 56.814 57.345 0.037 0.000 1.759 315 W CB 0.066 29.463 29.460 -0.105 0.000 1.093 315 W HN 0.026 nan 8.180 nan 0.000 0.648 316 I N 2.580 122.997 120.570 -0.256 0.000 2.598 316 I HA 0.224 4.388 4.170 -0.009 0.000 0.284 316 I C 1.650 177.731 176.117 -0.060 0.000 1.140 316 I CA 1.497 62.588 61.300 -0.348 0.000 1.420 316 I CB -0.208 37.726 38.000 -0.111 0.000 1.387 316 I HN 0.432 nan 8.210 nan 0.000 0.553 317 G N 4.567 113.281 108.800 -0.144 0.000 2.213 317 G HA2 -0.329 3.626 3.960 -0.009 0.000 0.226 317 G HA3 -0.329 3.626 3.960 -0.009 0.000 0.226 317 G C 0.956 175.859 174.900 0.006 0.000 0.992 317 G CA 0.632 45.722 45.100 -0.016 0.000 0.632 317 G HN 0.655 nan 8.290 nan 0.000 0.511 318 T N -1.371 113.186 114.554 0.005 0.000 2.812 318 T HA 0.214 4.559 4.350 -0.009 0.000 0.264 318 T C 0.862 175.633 174.700 0.118 0.000 1.042 318 T CA 1.444 63.617 62.100 0.121 0.000 1.140 318 T CB -0.171 68.860 68.868 0.271 0.000 0.870 318 T HN 0.841 nan 8.240 nan 0.000 0.445 319 E N 1.658 121.832 120.200 -0.043 0.000 2.393 319 E HA -0.110 4.235 4.350 -0.009 0.000 0.169 319 E C -1.950 174.531 176.600 -0.199 0.000 1.591 319 E CA 0.606 56.958 56.400 -0.081 0.000 0.661 319 E CB -1.100 28.581 29.700 -0.030 0.000 1.097 319 E HN 0.471 nan 8.360 nan 0.000 0.356 320 P HA -0.133 nan 4.420 nan 0.000 0.228 320 P C 0.865 177.642 177.300 -0.871 0.000 1.151 320 P CA 1.208 63.511 63.100 -1.328 0.000 0.770 320 P CB 0.020 31.058 31.700 -1.104 0.000 0.786 321 Y N -0.668 119.482 120.300 -0.249 0.000 2.467 321 Y HA 0.224 4.769 4.550 -0.009 0.000 0.250 321 Y C 1.248 177.117 175.900 -0.052 0.000 1.155 321 Y CA -0.191 57.837 58.100 -0.120 0.000 1.249 321 Y CB 0.168 38.572 38.460 -0.094 0.000 1.146 321 Y HN -0.195 nan 8.280 nan 0.000 0.524 322 K N 1.213 121.652 120.400 0.065 0.000 2.154 322 K HA 0.083 4.398 4.320 -0.009 0.000 0.264 322 K C -0.511 176.149 176.600 0.099 0.000 1.008 322 K CA -0.633 55.703 56.287 0.081 0.000 0.937 322 K CB 0.495 33.036 32.500 0.068 0.000 1.002 322 K HN 0.018 nan 8.250 nan 0.000 0.469 323 D N 0.441 120.895 120.400 0.090 0.000 2.472 323 D HA 0.034 4.669 4.640 -0.009 0.000 0.237 323 D C 1.213 177.568 176.300 0.093 0.000 1.141 323 D CA 1.130 55.183 54.000 0.087 0.000 0.875 323 D CB 0.912 41.751 40.800 0.065 0.000 1.192 323 D HN 0.837 nan 8.370 nan 0.000 0.450 324 G N 1.283 110.137 108.800 0.091 0.000 2.213 324 G HA2 -0.352 3.603 3.960 -0.009 0.000 0.236 324 G HA3 -0.352 3.603 3.960 -0.009 0.000 0.236 324 G C 0.823 175.771 174.900 0.081 0.000 0.991 324 G CA 0.203 45.343 45.100 0.066 0.000 0.629 324 G HN 0.473 nan 8.290 nan 0.000 0.517 325 F N 3.073 123.010 119.950 -0.022 0.000 2.161 325 F HA -0.065 4.457 4.527 -0.009 0.000 0.300 325 F C 2.559 178.338 175.800 -0.035 0.000 1.089 325 F CA 2.474 60.451 58.000 -0.038 0.000 1.282 325 F CB -0.055 38.917 39.000 -0.047 0.000 1.010 325 F HN 0.340 nan 8.300 nan 0.000 0.485 326 D N 0.016 120.445 120.400 0.048 0.000 2.190 326 D HA -0.276 4.359 4.640 -0.009 0.000 0.200 326 D C 1.636 177.877 176.300 -0.098 0.000 0.992 326 D CA 1.745 55.727 54.000 -0.030 0.000 0.854 326 D CB -1.012 39.809 40.800 0.035 0.000 0.936 326 D HN 0.489 nan 8.370 nan 0.000 0.462 327 E N -0.112 120.035 120.200 -0.089 0.000 2.268 327 E HA -0.000 4.345 4.350 -0.009 0.000 0.195 327 E C 2.236 178.754 176.600 -0.138 0.000 0.995 327 E CA 0.144 56.490 56.400 -0.089 0.000 0.836 327 E CB -0.084 29.580 29.700 -0.059 0.000 0.763 327 E HN 0.375 nan 8.360 nan 0.000 0.491 328 L N -0.515 120.563 121.223 -0.242 0.000 2.275 328 L HA -0.039 4.296 4.340 -0.009 0.000 0.215 328 L C 1.611 178.364 176.870 -0.195 0.000 1.119 328 L CA 0.683 55.350 54.840 -0.288 0.000 0.790 328 L CB -0.570 41.186 42.059 -0.506 0.000 0.919 328 L HN 0.309 nan 8.230 nan 0.000 0.443 329 G N 0.809 109.520 108.800 -0.148 0.000 2.198 329 G HA2 -0.296 3.659 3.960 -0.009 0.000 0.260 329 G HA3 -0.296 3.659 3.960 -0.009 0.000 0.260 329 G C 0.203 175.135 174.900 0.052 0.000 1.025 329 G CA -0.115 44.977 45.100 -0.014 0.000 0.769 329 G HN 0.248 nan 8.290 nan 0.000 0.507 330 L N -0.249 120.905 121.223 -0.114 0.000 2.453 330 L HA 0.214 4.548 4.340 -0.009 0.000 0.272 330 L C 1.519 178.385 176.870 -0.006 0.000 1.182 330 L CA 0.029 54.829 54.840 -0.067 0.000 0.858 330 L CB 0.527 42.491 42.059 -0.158 0.000 1.120 330 L HN 0.164 nan 8.230 nan 0.000 0.474 331 D N 1.424 121.848 120.400 0.040 0.000 2.194 331 D HA 0.111 4.745 4.640 -0.009 0.000 0.204 331 D C 0.279 176.407 176.300 -0.287 0.000 0.964 331 D CA 1.014 55.006 54.000 -0.012 0.000 0.846 331 D CB 0.304 41.158 40.800 0.091 0.000 0.962 331 D HN 0.617 nan 8.370 nan 0.000 0.490 332 A N -0.419 122.213 122.820 -0.313 0.000 2.594 332 A HA 0.599 4.914 4.320 -0.009 0.000 0.295 332 A C -1.521 175.971 177.584 -0.154 0.000 1.071 332 A CA -0.642 51.096 52.037 -0.499 0.000 0.685 332 A CB 1.496 19.910 19.000 -0.978 0.000 1.285 332 A HN -0.087 nan 8.150 nan 0.000 0.405 333 V N 0.954 120.816 119.914 -0.087 0.000 2.495 333 V HA 0.656 4.771 4.120 -0.009 0.000 0.298 333 V C -0.399 175.713 176.094 0.029 0.000 1.031 333 V CA -0.614 61.696 62.300 0.016 0.000 0.871 333 V CB 1.498 33.349 31.823 0.047 0.000 0.988 333 V HN 0.931 nan 8.190 nan 0.000 0.432 334 V N 4.166 124.123 119.914 0.073 0.000 2.628 334 V HA 1.019 5.134 4.120 -0.009 0.000 0.306 334 V C 0.265 176.426 176.094 0.112 0.000 1.045 334 V CA 0.412 62.789 62.300 0.128 0.000 0.905 334 V CB 1.752 33.691 31.823 0.192 0.000 0.997 334 V HN 1.041 nan 8.190 nan 0.000 0.436 335 G N 2.939 111.782 108.800 0.071 0.000 2.708 335 G HA2 0.538 4.493 3.960 -0.009 0.000 0.289 335 G HA3 0.538 4.493 3.960 -0.009 0.000 0.289 335 G C -1.127 173.781 174.900 0.015 0.000 1.416 335 G CA -0.595 44.481 45.100 -0.039 0.000 0.829 335 G HN 0.790 nan 8.290 nan 0.000 0.480 336 S N 0.676 116.349 115.700 -0.045 0.000 2.474 336 S HA 0.335 4.800 4.470 -0.009 0.000 0.276 336 S C 0.239 174.792 174.600 -0.079 0.000 1.227 336 S CA -0.458 57.719 58.200 -0.037 0.000 1.050 336 S CB 0.814 63.984 63.200 -0.050 0.000 0.939 336 S HN 0.378 nan 8.310 nan 0.000 0.490 337 I N 3.949 124.405 120.570 -0.191 0.000 2.294 337 I HA 0.195 4.360 4.170 -0.009 0.000 0.295 337 I C 1.331 177.354 176.117 -0.158 0.000 1.098 337 I CA 0.071 61.207 61.300 -0.273 0.000 1.277 337 I CB -0.094 37.516 38.000 -0.650 0.000 1.434 337 I HN 0.862 nan 8.210 nan 0.000 0.498 338 G N 5.568 114.298 108.800 -0.117 0.000 2.673 338 G HA2 0.104 4.059 3.960 -0.009 0.000 0.208 338 G HA3 0.104 4.059 3.960 -0.009 0.000 0.208 338 G C 0.142 174.994 174.900 -0.079 0.000 1.128 338 G CA 0.309 45.357 45.100 -0.087 0.000 0.805 338 G HN 0.631 nan 8.290 nan 0.000 0.526 339 D N -3.086 117.243 120.400 -0.117 0.000 2.970 339 D HA 0.327 4.961 4.640 -0.009 0.000 0.344 339 D C 1.311 177.498 176.300 -0.188 0.000 1.365 339 D CA 0.105 54.030 54.000 -0.127 0.000 0.910 339 D CB 0.231 40.975 40.800 -0.094 0.000 1.445 339 D HN -0.018 nan 8.370 nan 0.000 0.532 340 G N -0.878 107.771 108.800 -0.252 0.000 2.408 340 G HA2 -0.152 3.803 3.960 -0.009 0.000 0.217 340 G HA3 -0.152 3.803 3.960 -0.009 0.000 0.217 340 G C 1.139 175.820 174.900 -0.364 0.000 1.150 340 G CA 1.617 46.534 45.100 -0.305 0.000 0.776 340 G HN 0.497 nan 8.290 nan 0.000 0.542 341 T N 1.248 115.606 114.554 -0.326 0.000 2.708 341 T HA -0.151 4.194 4.350 -0.009 0.000 0.266 341 T C 2.810 177.376 174.700 -0.224 0.000 1.037 341 T CA 2.145 64.072 62.100 -0.289 0.000 1.146 341 T CB -0.626 68.075 68.868 -0.278 0.000 0.865 341 T HN 0.553 nan 8.240 nan 0.000 0.435 342 T N 0.179 114.623 114.554 -0.184 0.000 2.951 342 T HA -0.066 4.278 4.350 -0.009 0.000 0.268 342 T C 2.056 176.663 174.700 -0.156 0.000 1.073 342 T CA 1.325 63.324 62.100 -0.167 0.000 1.134 342 T CB -0.863 67.850 68.868 -0.258 0.000 0.884 342 T HN 0.271 nan 8.240 nan 0.000 0.479 343 T N 2.000 116.428 114.554 -0.211 0.000 2.674 343 T HA -0.046 4.299 4.350 -0.009 0.000 0.265 343 T C 2.200 176.763 174.700 -0.228 0.000 1.039 343 T CA 0.900 62.880 62.100 -0.200 0.000 1.150 343 T CB -0.181 68.569 68.868 -0.197 0.000 0.864 343 T HN 0.245 nan 8.240 nan 0.000 0.427 344 R N 0.920 121.159 120.500 -0.435 0.000 2.120 344 R HA 0.115 4.450 4.340 -0.009 0.000 0.234 344 R C 2.424 178.513 176.300 -0.352 0.000 1.123 344 R CA 0.959 56.656 56.100 -0.673 0.000 0.975 344 R CB -0.843 28.389 30.300 -1.781 0.000 0.866 344 R HN 0.491 nan 8.270 nan 0.000 0.446 345 M N -0.112 119.403 119.600 -0.142 0.000 2.106 345 M HA -0.203 4.272 4.480 -0.009 0.000 0.259 345 M C 2.087 178.505 176.300 0.195 0.000 1.068 345 M CA 1.780 57.185 55.300 0.174 0.000 1.100 345 M CB -0.364 32.351 32.600 0.190 0.000 1.351 345 M HN 0.046 nan 8.290 nan 0.000 0.404 346 I N -0.734 119.868 120.570 0.054 0.000 2.339 346 I HA -0.089 4.076 4.170 -0.009 0.000 0.245 346 I C 2.635 178.789 176.117 0.062 0.000 1.096 346 I CA 0.862 62.183 61.300 0.034 0.000 1.408 346 I CB -0.556 37.445 38.000 0.002 0.000 1.092 346 I HN 0.166 nan 8.210 nan 0.000 0.423 347 A N 0.314 123.164 122.820 0.050 0.000 2.019 347 A HA -0.199 4.116 4.320 -0.009 0.000 0.219 347 A C 1.629 179.290 177.584 0.128 0.000 1.164 347 A CA 1.943 54.028 52.037 0.080 0.000 0.644 347 A CB -0.520 18.503 19.000 0.038 0.000 0.805 347 A HN 0.343 nan 8.150 nan 0.000 0.449 348 D N -0.701 119.819 120.400 0.199 0.000 2.349 348 D HA 0.171 4.806 4.640 -0.009 0.000 0.215 348 D C 0.225 176.703 176.300 0.297 0.000 1.016 348 D CA -0.002 54.189 54.000 0.319 0.000 0.870 348 D CB -0.102 41.008 40.800 0.517 0.000 0.917 348 D HN 0.439 nan 8.370 nan 0.000 0.524 349 I N 3.301 123.918 120.570 0.078 0.000 2.662 349 I HA 0.049 4.214 4.170 -0.009 0.000 0.285 349 I C -1.794 174.285 176.117 -0.064 0.000 1.161 349 I CA -1.190 59.944 61.300 -0.276 0.000 1.415 349 I CB 0.415 38.198 38.000 -0.362 0.000 1.385 349 I HN -0.128 nan 8.210 nan 0.000 0.552 350 P HA 0.274 nan 4.420 nan 0.000 0.282 350 P C 0.374 177.752 177.300 0.130 0.000 1.259 350 P CA -0.233 62.909 63.100 0.069 0.000 0.826 350 P CB 1.377 33.133 31.700 0.092 0.000 1.064 351 G N -0.519 108.358 108.800 0.129 0.000 2.137 351 G HA2 -0.078 3.877 3.960 -0.009 0.000 0.237 351 G HA3 -0.078 3.877 3.960 -0.009 0.000 0.237 351 G C -0.115 174.851 174.900 0.110 0.000 1.002 351 G CA 0.103 45.282 45.100 0.131 0.000 0.702 351 G HN 0.780 nan 8.290 nan 0.000 0.515 352 V N -4.008 115.972 119.914 0.111 0.000 3.046 352 V HA 0.790 4.905 4.120 -0.009 0.000 0.316 352 V C 1.281 177.413 176.094 0.064 0.000 1.104 352 V CA -0.310 62.025 62.300 0.057 0.000 1.006 352 V CB 1.624 33.478 31.823 0.052 0.000 1.058 352 V HN 0.076 nan 8.190 nan 0.000 0.440 353 K N 0.862 121.296 120.400 0.056 0.000 2.155 353 K HA 0.149 4.464 4.320 -0.009 0.000 0.203 353 K C -0.049 176.715 176.600 0.272 0.000 1.052 353 K CA 1.662 58.044 56.287 0.158 0.000 0.948 353 K CB -0.149 32.484 32.500 0.222 0.000 0.728 353 K HN 0.861 nan 8.250 nan 0.000 0.448 354 Y N -1.427 118.932 120.300 0.097 0.000 2.713 354 Y HA 0.375 4.920 4.550 -0.009 0.000 0.335 354 Y C -1.031 174.942 175.900 0.120 0.000 1.222 354 Y CA -1.479 56.687 58.100 0.110 0.000 1.061 354 Y CB 1.000 39.520 38.460 0.100 0.000 1.314 354 Y HN -0.074 nan 8.280 nan 0.000 0.453 355 T N -1.107 113.629 114.554 0.304 0.000 2.907 355 T HA 0.695 5.040 4.350 -0.009 0.000 0.292 355 T C -1.314 173.566 174.700 0.299 0.000 1.043 355 T CA -0.725 61.498 62.100 0.204 0.000 1.003 355 T CB 2.445 71.415 68.868 0.171 0.000 1.084 355 T HN 0.917 nan 8.240 nan 0.000 0.483 356 E N 0.184 120.516 120.200 0.220 0.000 2.275 356 E HA 0.565 4.910 4.350 -0.009 0.000 0.270 356 E C -0.596 176.098 176.600 0.156 0.000 0.882 356 E CA -0.970 55.566 56.400 0.226 0.000 0.758 356 E CB 1.599 31.450 29.700 0.253 0.000 1.195 356 E HN 1.016 nan 8.360 nan 0.000 0.419 357 G N 3.215 112.117 108.800 0.169 0.000 2.343 357 G HA2 0.250 4.205 3.960 -0.009 0.000 0.319 357 G HA3 0.250 4.205 3.960 -0.009 0.000 0.319 357 G C -0.650 174.259 174.900 0.014 0.000 1.126 357 G CA -0.565 44.544 45.100 0.016 0.000 0.889 357 G HN 0.324 nan 8.290 nan 0.000 0.457 358 R N 3.185 123.654 120.500 -0.052 0.000 2.196 358 R HA 0.250 4.585 4.340 -0.009 0.000 0.340 358 R C -0.916 175.313 176.300 -0.119 0.000 1.043 358 R CA -0.389 55.681 56.100 -0.050 0.000 0.883 358 R CB 0.048 30.346 30.300 -0.003 0.000 1.078 358 R HN 0.383 nan 8.270 nan 0.000 0.462 359 F N 3.300 123.070 119.950 -0.301 0.000 2.375 359 F HA 0.345 4.867 4.527 -0.009 0.000 0.313 359 F C 0.797 176.633 175.800 0.061 0.000 1.176 359 F CA -0.450 57.429 58.000 -0.202 0.000 1.142 359 F CB 0.828 39.547 39.000 -0.468 0.000 1.275 359 F HN 0.180 nan 8.300 nan 0.000 0.544 360 L N 2.226 123.715 121.223 0.443 0.000 2.322 360 L HA 0.490 4.825 4.340 -0.009 0.000 0.269 360 L C -2.369 174.882 176.870 0.635 0.000 1.012 360 L CA -2.127 52.990 54.840 0.461 0.000 0.815 360 L CB 1.599 43.825 42.059 0.277 0.000 1.295 360 L HN 0.287 nan 8.230 nan 0.000 0.438 361 P HA 0.042 nan 4.420 nan 0.000 0.277 361 P C -1.015 176.595 177.300 0.517 0.000 1.240 361 P CA -0.353 62.978 63.100 0.384 0.000 0.798 361 P CB 0.602 32.408 31.700 0.177 0.000 0.979 362 Y N 1.826 122.289 120.300 0.272 0.000 2.683 362 Y HA 0.049 4.594 4.550 -0.009 0.000 0.340 362 Y C 0.179 176.375 175.900 0.493 0.000 1.245 362 Y CA -0.063 58.198 58.100 0.267 0.000 1.485 362 Y CB -0.126 38.389 38.460 0.092 0.000 1.328 362 Y HN 0.151 nan 8.280 nan 0.000 0.603 363 F N 7.579 127.312 119.950 -0.361 0.000 2.566 363 F HA 0.238 4.760 4.527 -0.009 0.000 0.349 363 F C -0.596 175.198 175.800 -0.011 0.000 1.245 363 F CA -0.540 57.346 58.000 -0.189 0.000 1.169 363 F CB -1.437 37.492 39.000 -0.118 0.000 1.470 363 F HN 0.278 nan 8.300 nan 0.000 0.634 364 F N 3.870 123.841 119.950 0.036 0.000 2.665 364 F HA 0.401 4.923 4.527 -0.009 0.000 0.308 364 F C -1.751 174.072 175.800 0.038 0.000 1.112 364 F CA -1.779 56.296 58.000 0.125 0.000 0.972 364 F CB 1.792 40.957 39.000 0.274 0.000 1.295 364 F HN -0.030 nan 8.300 nan 0.000 0.440 365 P HA -0.058 nan 4.420 nan 0.000 0.217 365 P C -0.254 177.065 177.300 0.032 0.000 1.150 365 P CA 1.065 64.099 63.100 -0.110 0.000 0.832 365 P CB -0.270 31.293 31.700 -0.229 0.000 0.787 372 N N 1.620 120.430 118.700 0.183 0.000 2.508 372 N HA 0.296 5.031 4.740 -0.009 0.000 0.264 372 N C -1.521 174.097 175.510 0.181 0.000 1.216 372 N CA 0.006 53.140 53.050 0.140 0.000 0.943 372 N CB 1.521 40.047 38.487 0.065 0.000 1.113 372 N HN 0.123 nan 8.380 nan 0.000 0.447 373 D N 3.021 123.485 120.400 0.107 0.000 2.467 373 D HA 0.325 4.959 4.640 -0.009 0.000 0.220 373 D C -1.875 174.459 176.300 0.057 0.000 1.103 373 D CA -2.058 52.014 54.000 0.119 0.000 0.886 373 D CB 1.111 41.979 40.800 0.113 0.000 1.025 373 D HN 0.319 nan 8.370 nan 0.000 0.514 374 P HA -0.067 nan 4.420 nan 0.000 0.229 374 P C 1.306 178.761 177.300 0.258 0.000 1.160 374 P CA 0.480 63.508 63.100 -0.120 0.000 0.777 374 P CB 0.112 31.394 31.700 -0.697 0.000 0.814 375 S N -0.115 115.802 115.700 0.362 0.000 2.400 375 S HA -0.158 4.307 4.470 -0.009 0.000 0.232 375 S C 1.903 176.636 174.600 0.222 0.000 1.025 375 S CA 1.001 59.394 58.200 0.322 0.000 0.993 375 S CB -1.399 61.907 63.200 0.176 0.000 0.808 375 S HN -0.065 nan 8.310 nan 0.000 0.478 376 I N 2.401 123.074 120.570 0.172 0.000 2.099 376 I HA -0.169 3.996 4.170 -0.009 0.000 0.239 376 I C 2.700 178.919 176.117 0.169 0.000 1.066 376 I CA 1.776 63.161 61.300 0.142 0.000 1.324 376 I CB -1.765 36.299 38.000 0.106 0.000 1.037 376 I HN 0.317 nan 8.210 nan 0.000 0.401 377 E N 1.252 121.557 120.200 0.174 0.000 2.058 377 E HA -0.159 4.186 4.350 -0.009 0.000 0.194 377 E C 2.354 179.125 176.600 0.285 0.000 0.997 377 E CA 1.491 58.009 56.400 0.197 0.000 0.801 377 E CB -0.754 29.046 29.700 0.167 0.000 0.746 377 E HN 0.584 nan 8.360 nan 0.000 0.450 378 G N 0.491 109.510 108.800 0.365 0.000 2.440 378 G HA2 -0.244 3.711 3.960 -0.009 0.000 0.218 378 G HA3 -0.244 3.711 3.960 -0.009 0.000 0.218 378 G C 1.541 176.665 174.900 0.373 0.000 1.154 378 G CA 0.740 46.105 45.100 0.441 0.000 0.767 378 G HN 0.149 nan 8.290 nan 0.000 0.552 379 L N 0.166 121.566 121.223 0.294 0.000 2.109 379 L HA -0.015 4.319 4.340 -0.009 0.000 0.207 379 L C 2.585 179.649 176.870 0.324 0.000 1.086 379 L CA 1.133 56.166 54.840 0.322 0.000 0.760 379 L CB -0.300 41.892 42.059 0.222 0.000 0.910 379 L HN 0.255 nan 8.230 nan 0.000 0.437 380 D N 0.426 120.976 120.400 0.250 0.000 2.087 380 D HA -0.276 4.359 4.640 -0.009 0.000 0.192 380 D C 1.782 178.218 176.300 0.227 0.000 0.993 380 D CA 1.488 55.608 54.000 0.200 0.000 0.828 380 D CB -0.119 40.777 40.800 0.160 0.000 0.968 380 D HN 0.292 nan 8.370 nan 0.000 0.448 381 N N 0.242 119.113 118.700 0.286 0.000 2.060 381 N HA -0.215 4.519 4.740 -0.009 0.000 0.195 381 N C 2.087 177.876 175.510 0.465 0.000 1.028 381 N CA 1.343 54.593 53.050 0.333 0.000 0.861 381 N CB -0.593 38.140 38.487 0.411 0.000 1.029 381 N HN 0.522 nan 8.380 nan 0.000 0.428 382 W N 1.822 123.314 121.300 0.320 0.000 2.335 382 W HA -0.209 4.445 4.660 -0.009 0.000 0.311 382 W C 2.162 178.810 176.519 0.215 0.000 1.213 382 W CA 0.932 58.461 57.345 0.307 0.000 1.274 382 W CB -0.143 29.448 29.460 0.217 0.000 1.148 382 W HN 0.134 nan 8.180 nan 0.000 0.498 383 R N 0.295 120.780 120.500 -0.025 0.000 2.073 383 R HA -0.148 4.186 4.340 -0.009 0.000 0.234 383 R C 2.259 178.457 176.300 -0.170 0.000 1.134 383 R CA 1.762 57.738 56.100 -0.207 0.000 0.952 383 R CB -0.566 29.714 30.300 -0.033 0.000 0.850 383 R HN 0.166 nan 8.270 nan 0.000 0.433 384 K N 0.141 120.512 120.400 -0.049 0.000 2.152 384 K HA -0.122 4.193 4.320 -0.009 0.000 0.206 384 K C 1.943 178.459 176.600 -0.140 0.000 1.048 384 K CA 1.509 57.749 56.287 -0.078 0.000 0.933 384 K CB -0.010 32.468 32.500 -0.036 0.000 0.721 384 K HN 0.183 nan 8.250 nan 0.000 0.447 385 A N 0.847 123.599 122.820 -0.112 0.000 1.963 385 A HA 0.016 4.330 4.320 -0.009 0.000 0.207 385 A C 1.995 179.443 177.584 -0.226 0.000 1.243 385 A CA 0.246 52.222 52.037 -0.102 0.000 0.728 385 A CB -0.222 18.838 19.000 0.100 0.000 0.895 385 A HN 0.136 nan 8.150 nan 0.000 0.467 386 R N 0.923 121.102 120.500 -0.535 0.000 2.119 386 R HA -0.259 4.075 4.340 -0.009 0.000 0.246 386 R C 2.394 178.456 176.300 -0.398 0.000 1.146 386 R CA 2.276 57.898 56.100 -0.797 0.000 0.962 386 R CB -0.357 29.150 30.300 -1.321 0.000 0.863 386 R HN 0.667 nan 8.270 nan 0.000 0.442 387 R N -0.366 119.951 120.500 -0.305 0.000 2.092 387 R HA -0.012 4.323 4.340 -0.009 0.000 0.231 387 R C 2.116 178.315 176.300 -0.167 0.000 1.119 387 R CA 1.340 57.322 56.100 -0.197 0.000 0.970 387 R CB -0.518 29.695 30.300 -0.144 0.000 0.864 387 R HN 0.218 nan 8.270 nan 0.000 0.440 388 A N 1.693 124.396 122.820 -0.194 0.000 1.898 388 A HA -0.015 4.300 4.320 -0.009 0.000 0.216 388 A C 2.218 179.713 177.584 -0.148 0.000 1.181 388 A CA 1.085 53.001 52.037 -0.202 0.000 0.620 388 A CB -0.385 18.458 19.000 -0.261 0.000 0.819 388 A HN 0.291 nan 8.150 nan 0.000 0.442 389 I N -0.210 120.280 120.570 -0.133 0.000 2.286 389 I HA -0.242 3.923 4.170 -0.009 0.000 0.248 389 I C 2.200 178.285 176.117 -0.053 0.000 1.115 389 I CA 0.930 62.181 61.300 -0.081 0.000 1.392 389 I CB -0.197 37.745 38.000 -0.095 0.000 1.065 389 I HN 0.278 nan 8.210 nan 0.000 0.418 390 L N -0.033 121.159 121.223 -0.051 0.000 2.191 390 L HA -0.171 4.164 4.340 -0.009 0.000 0.212 390 L C 2.553 179.452 176.870 0.048 0.000 1.103 390 L CA 0.906 55.782 54.840 0.059 0.000 0.769 390 L CB -0.481 41.601 42.059 0.039 0.000 0.908 390 L HN 0.215 nan 8.230 nan 0.000 0.438 391 R N -1.121 119.367 120.500 -0.020 0.000 2.100 391 R HA 0.137 4.472 4.340 -0.009 0.000 0.220 391 R C 0.838 177.150 176.300 0.020 0.000 1.091 391 R CA 0.397 56.488 56.100 -0.015 0.000 0.986 391 R CB -0.237 30.045 30.300 -0.030 0.000 0.888 391 R HN 0.078 nan 8.270 nan 0.000 0.444 392 S N 1.408 117.112 115.700 0.007 0.000 2.461 392 S HA 0.390 4.855 4.470 -0.009 0.000 0.216 392 S C -2.794 171.830 174.600 0.040 0.000 1.201 392 S CA -1.426 56.796 58.200 0.038 0.000 1.171 392 S CB 1.147 64.364 63.200 0.027 0.000 1.169 392 S HN -0.165 nan 8.310 nan 0.000 0.456 393 P HA 0.282 nan 4.420 nan 0.000 0.268 393 P C -0.439 176.954 177.300 0.156 0.000 1.205 393 P CA -0.293 62.840 63.100 0.054 0.000 0.771 393 P CB 0.251 31.953 31.700 0.003 0.000 0.858 394 I N -1.398 119.317 120.570 0.243 0.000 2.460 394 I HA 0.380 4.545 4.170 -0.009 0.000 0.298 394 I C 0.836 177.285 176.117 0.553 0.000 0.989 394 I CA -0.414 61.105 61.300 0.364 0.000 1.173 394 I CB 1.832 40.058 38.000 0.376 0.000 1.338 394 I HN 0.093 nan 8.210 nan 0.000 0.456 395 S N 4.096 120.064 115.700 0.446 0.000 2.368 395 S HA 0.016 4.481 4.470 -0.009 0.000 0.225 395 S C 0.704 175.482 174.600 0.297 0.000 1.030 395 S CA 0.982 59.401 58.200 0.365 0.000 0.999 395 S CB -0.251 63.129 63.200 0.300 0.000 0.844 395 S HN 0.693 nan 8.310 nan 0.000 0.459 396 R N -0.095 120.582 120.500 0.294 0.000 2.808 396 R HA 0.655 4.990 4.340 -0.009 0.000 0.272 396 R C -0.694 175.589 176.300 -0.027 0.000 0.995 396 R CA -0.571 55.568 56.100 0.065 0.000 0.917 396 R CB 1.737 32.079 30.300 0.071 0.000 1.217 396 R HN 0.267 nan 8.270 nan 0.000 0.471 397 M N -0.923 118.424 119.600 -0.423 0.000 2.761 397 M HA 0.912 5.387 4.480 -0.009 0.000 0.305 397 M C -0.422 175.589 176.300 -0.482 0.000 1.235 397 M CA -0.622 54.446 55.300 -0.387 0.000 0.850 397 M CB 2.700 34.654 32.600 -1.077 0.000 1.744 397 M HN 0.647 nan 8.290 nan 0.000 0.480 398 G N 0.125 108.634 108.800 -0.486 0.000 2.451 398 G HA2 0.570 4.525 3.960 -0.009 0.000 0.292 398 G HA3 0.570 4.525 3.960 -0.009 0.000 0.292 398 G C -2.534 171.966 174.900 -0.667 0.000 1.427 398 G CA -0.732 43.931 45.100 -0.728 0.000 0.792 398 G HN 0.753 nan 8.290 nan 0.000 0.498 399 Y N -0.924 119.143 120.300 -0.387 0.000 2.602 399 Y HA 0.742 5.286 4.550 -0.009 0.000 0.342 399 Y C 0.857 176.526 175.900 -0.385 0.000 1.029 399 Y CA -0.225 57.656 58.100 -0.364 0.000 1.080 399 Y CB 2.535 40.581 38.460 -0.691 0.000 1.284 399 Y HN 0.832 nan 8.280 nan 0.000 0.485 400 G N -0.647 108.093 108.800 -0.102 0.000 2.489 400 G HA2 0.604 4.559 3.960 -0.009 0.000 0.327 400 G HA3 0.604 4.559 3.960 -0.009 0.000 0.327 400 G C -0.070 174.640 174.900 -0.316 0.000 1.189 400 G CA -0.251 44.856 45.100 0.011 0.000 0.962 400 G HN 1.172 nan 8.290 nan 0.000 0.486 401 G N -0.869 107.771 108.800 -0.267 0.000 2.443 401 G HA2 -0.061 3.894 3.960 -0.009 0.000 0.209 401 G HA3 -0.061 3.894 3.960 -0.009 0.000 0.209 401 G C -0.939 173.754 174.900 -0.345 0.000 1.176 401 G CA -0.413 44.340 45.100 -0.579 0.000 1.074 401 G HN 0.934 nan 8.290 nan 0.000 0.577 402 Y N 0.838 121.176 120.300 0.064 0.000 2.518 402 Y HA 0.568 5.113 4.550 -0.009 0.000 0.344 402 Y C 1.488 177.455 175.900 0.112 0.000 0.982 402 Y CA -0.367 57.765 58.100 0.053 0.000 1.234 402 Y CB 1.318 39.751 38.460 -0.044 0.000 1.114 402 Y HN 0.522 nan 8.280 nan 0.000 0.515 403 L N 2.026 123.396 121.223 0.245 0.000 2.275 403 L HA -0.165 4.169 4.340 -0.009 0.000 0.215 403 L C 2.260 179.078 176.870 -0.086 0.000 1.119 403 L CA 1.855 56.865 54.840 0.285 0.000 0.790 403 L CB -0.349 41.937 42.059 0.379 0.000 0.919 403 L HN 0.723 nan 8.230 nan 0.000 0.443 404 S N -1.570 113.783 115.700 -0.579 0.000 2.387 404 S HA -0.155 4.310 4.470 -0.009 0.000 0.226 404 S C 1.971 176.375 174.600 -0.327 0.000 1.026 404 S CA 1.000 58.596 58.200 -1.007 0.000 0.972 404 S CB -0.713 61.789 63.200 -1.163 0.000 0.814 404 S HN 0.331 nan 8.310 nan 0.000 0.477 405 L N 1.893 123.011 121.223 -0.175 0.000 2.017 405 L HA 0.061 4.396 4.340 -0.009 0.000 0.208 405 L C 3.021 179.886 176.870 -0.008 0.000 1.073 405 L CA 1.741 56.537 54.840 -0.074 0.000 0.745 405 L CB -0.830 41.189 42.059 -0.067 0.000 0.894 405 L HN 0.476 nan 8.230 nan 0.000 0.432 406 A N -1.070 121.654 122.820 -0.161 0.000 2.014 406 A HA 0.009 4.324 4.320 -0.009 0.000 0.218 406 A C 2.438 180.081 177.584 0.098 0.000 1.163 406 A CA 1.142 53.034 52.037 -0.242 0.000 0.652 406 A CB -0.753 17.702 19.000 -0.908 0.000 0.808 406 A HN 0.367 nan 8.150 nan 0.000 0.449 407 A N 0.277 123.159 122.820 0.103 0.000 2.024 407 A HA -0.182 4.132 4.320 -0.009 0.000 0.220 407 A C 2.031 179.696 177.584 0.135 0.000 1.164 407 A CA 1.790 53.927 52.037 0.166 0.000 0.643 407 A CB -0.404 18.776 19.000 0.299 0.000 0.806 407 A HN 0.560 nan 8.150 nan 0.000 0.451 408 K N -1.363 119.098 120.400 0.101 0.000 2.147 408 K HA -0.059 4.256 4.320 -0.009 0.000 0.205 408 K C -0.516 176.006 176.600 -0.131 0.000 1.049 408 K CA 0.737 56.988 56.287 -0.059 0.000 0.936 408 K CB -0.152 32.215 32.500 -0.221 0.000 0.722 408 K HN 0.536 nan 8.250 nan 0.000 0.446 409 F N 2.155 122.112 119.950 0.013 0.000 2.384 409 F HA 0.152 4.673 4.527 -0.009 0.000 0.359 409 F C -1.468 174.400 175.800 0.112 0.000 1.143 409 F CA -2.306 55.723 58.000 0.048 0.000 1.216 409 F CB 0.932 39.948 39.000 0.027 0.000 1.512 409 F HN -0.049 nan 8.300 nan 0.000 0.573 410 P HA -0.203 nan 4.420 nan 0.000 0.222 410 P C 1.511 178.909 177.300 0.164 0.000 1.147 410 P CA 1.216 64.405 63.100 0.149 0.000 0.790 410 P CB 0.364 32.109 31.700 0.075 0.000 0.780 411 K N -1.067 119.445 120.400 0.187 0.000 2.167 411 K HA -0.076 4.239 4.320 -0.009 0.000 0.203 411 K C 1.990 178.691 176.600 0.169 0.000 1.052 411 K CA 0.668 57.047 56.287 0.153 0.000 0.956 411 K CB -0.462 32.126 32.500 0.146 0.000 0.735 411 K HN 0.032 nan 8.250 nan 0.000 0.451 412 F N 1.340 121.355 119.950 0.108 0.000 2.186 412 F HA -0.181 4.341 4.527 -0.009 0.000 0.299 412 F C 1.824 177.669 175.800 0.076 0.000 1.090 412 F CA 0.921 58.951 58.000 0.050 0.000 1.307 412 F CB -0.140 38.850 39.000 -0.018 0.000 1.019 412 F HN -0.269 nan 8.300 nan 0.000 0.489 413 V N 0.253 120.292 119.914 0.207 0.000 2.295 413 V HA -0.311 3.803 4.120 -0.009 0.000 0.246 413 V C 1.990 178.192 176.094 0.180 0.000 1.049 413 V CA 2.281 64.785 62.300 0.341 0.000 1.024 413 V CB -0.774 31.265 31.823 0.361 0.000 0.648 413 V HN 0.212 nan 8.190 nan 0.000 0.447 414 D N -0.099 120.354 120.400 0.089 0.000 2.178 414 D HA -0.131 4.504 4.640 -0.009 0.000 0.201 414 D C 2.286 178.547 176.300 -0.066 0.000 0.980 414 D CA 1.652 55.674 54.000 0.036 0.000 0.842 414 D CB -0.265 40.556 40.800 0.035 0.000 0.948 414 D HN 0.430 nan 8.370 nan 0.000 0.472 415 T N -0.439 114.011 114.554 -0.173 0.000 2.684 415 T HA -0.122 4.222 4.350 -0.009 0.000 0.267 415 T C 2.171 176.658 174.700 -0.354 0.000 1.036 415 T CA 1.029 62.981 62.100 -0.247 0.000 1.148 415 T CB -0.442 68.221 68.868 -0.342 0.000 0.863 415 T HN -0.009 nan 8.240 nan 0.000 0.436 416 V N 1.635 121.158 119.914 -0.651 0.000 2.358 416 V HA -0.176 3.938 4.120 -0.009 0.000 0.246 416 V C 2.807 178.410 176.094 -0.819 0.000 1.047 416 V CA 1.950 63.692 62.300 -0.929 0.000 1.035 416 V CB -1.278 29.540 31.823 -1.675 0.000 0.658 416 V HN 0.533 nan 8.190 nan 0.000 0.452 417 T N -0.723 113.509 114.554 -0.535 0.000 2.720 417 T HA -0.300 4.045 4.350 -0.009 0.000 0.268 417 T C 1.840 176.426 174.700 -0.191 0.000 1.037 417 T CA 2.309 64.269 62.100 -0.233 0.000 1.144 417 T CB -0.413 68.488 68.868 0.056 0.000 0.864 417 T HN 0.780 nan 8.240 nan 0.000 0.444 418 H N 0.866 119.801 119.070 -0.225 0.000 2.353 418 H HA 0.033 4.583 4.556 -0.009 0.000 0.300 418 H C 2.029 177.205 175.328 -0.254 0.000 1.090 418 H CA 1.505 57.450 56.048 -0.172 0.000 1.327 418 H CB -0.424 29.271 29.762 -0.112 0.000 1.383 418 H HN 0.347 nan 8.280 nan 0.000 0.508 419 I N 0.454 120.774 120.570 -0.416 0.000 2.163 419 I HA -0.228 3.937 4.170 -0.009 0.000 0.240 419 I C 2.830 178.581 176.117 -0.611 0.000 1.081 419 I CA 1.005 61.880 61.300 -0.708 0.000 1.353 419 I CB -0.648 36.924 38.000 -0.714 0.000 1.054 419 I HN 0.464 nan 8.210 nan 0.000 0.407 420 A N 1.266 123.791 122.820 -0.492 0.000 1.917 420 A HA -0.245 4.070 4.320 -0.009 0.000 0.219 420 A C 2.096 179.551 177.584 -0.216 0.000 1.182 420 A CA 2.145 53.960 52.037 -0.370 0.000 0.633 420 A CB -0.786 17.885 19.000 -0.548 0.000 0.819 420 A HN 0.447 nan 8.150 nan 0.000 0.448 421 N N -0.269 118.290 118.700 -0.236 0.000 2.043 421 N HA -0.166 4.569 4.740 -0.009 0.000 0.193 421 N C 1.750 177.180 175.510 -0.134 0.000 1.037 421 N CA 1.553 54.508 53.050 -0.159 0.000 0.851 421 N CB -0.524 37.874 38.487 -0.149 0.000 1.027 421 N HN 0.682 nan 8.380 nan 0.000 0.422 422 E N -0.151 119.909 120.200 -0.233 0.000 2.085 422 E HA -0.157 4.188 4.350 -0.009 0.000 0.194 422 E C 1.820 178.444 176.600 0.040 0.000 0.994 422 E CA 0.645 56.980 56.400 -0.109 0.000 0.801 422 E CB -0.152 29.446 29.700 -0.170 0.000 0.743 422 E HN 0.254 nan 8.360 nan 0.000 0.453 423 F N 1.171 121.010 119.950 -0.185 0.000 2.069 423 F HA -0.225 4.297 4.527 -0.009 0.000 0.298 423 F C 2.548 178.405 175.800 0.096 0.000 1.113 423 F CA 1.618 59.600 58.000 -0.031 0.000 1.214 423 F CB 0.082 38.956 39.000 -0.211 0.000 0.978 423 F HN -0.110 nan 8.300 nan 0.000 0.474 424 R N -0.413 120.249 120.500 0.270 0.000 2.115 424 R HA -0.169 4.165 4.340 -0.009 0.000 0.230 424 R C 1.796 178.143 176.300 0.078 0.000 1.111 424 R CA 1.571 57.780 56.100 0.181 0.000 0.976 424 R CB -0.551 29.784 30.300 0.059 0.000 0.870 424 R HN 0.305 nan 8.270 nan 0.000 0.445 425 D N 0.613 121.010 120.400 -0.005 0.000 2.144 425 D HA -0.095 4.540 4.640 -0.009 0.000 0.200 425 D C 1.728 177.895 176.300 -0.221 0.000 0.978 425 D CA 0.924 54.847 54.000 -0.128 0.000 0.833 425 D CB 0.082 40.792 40.800 -0.150 0.000 0.961 425 D HN 0.090 nan 8.370 nan 0.000 0.470 426 I N 0.178 120.686 120.570 -0.104 0.000 2.118 426 I HA -0.324 3.841 4.170 -0.009 0.000 0.241 426 I C 2.367 178.337 176.117 -0.245 0.000 1.070 426 I CA 1.243 62.458 61.300 -0.143 0.000 1.327 426 I CB -0.445 37.524 38.000 -0.052 0.000 1.034 426 I HN 0.263 nan 8.210 nan 0.000 0.405 427 H N 0.595 119.607 119.070 -0.098 0.000 2.319 427 H HA -0.183 4.367 4.556 -0.009 0.000 0.299 427 H C 1.919 177.175 175.328 -0.120 0.000 1.092 427 H CA 1.955 57.962 56.048 -0.069 0.000 1.302 427 H CB -0.311 29.465 29.762 0.024 0.000 1.373 427 H HN 0.369 nan 8.280 nan 0.000 0.497 428 D N 0.105 120.490 120.400 -0.025 0.000 2.149 428 D HA -0.110 4.525 4.640 -0.009 0.000 0.198 428 D C 2.377 178.557 176.300 -0.201 0.000 0.990 428 D CA 0.800 54.738 54.000 -0.103 0.000 0.839 428 D CB -0.012 40.716 40.800 -0.121 0.000 0.948 428 D HN 0.268 nan 8.370 nan 0.000 0.460 429 R N -0.250 120.040 120.500 -0.350 0.000 2.093 429 R HA 0.023 4.357 4.340 -0.009 0.000 0.224 429 R C 2.130 178.195 176.300 -0.393 0.000 1.101 429 R CA 1.493 57.310 56.100 -0.472 0.000 0.979 429 R CB -0.640 29.097 30.300 -0.938 0.000 0.877 429 R HN 0.355 nan 8.270 nan 0.000 0.441 430 T N -3.539 110.771 114.554 -0.406 0.000 3.014 430 T HA 0.170 4.515 4.350 -0.009 0.000 0.250 430 T C 1.335 175.927 174.700 -0.180 0.000 1.060 430 T CA 0.577 62.426 62.100 -0.418 0.000 1.040 430 T CB 0.525 69.012 68.868 -0.635 0.000 0.971 430 T HN 0.349 nan 8.240 nan 0.000 0.497 431 G N 1.436 110.171 108.800 -0.109 0.000 2.225 431 G HA2 0.073 4.027 3.960 -0.009 0.000 0.267 431 G HA3 0.073 4.027 3.960 -0.009 0.000 0.267 431 G C 1.116 176.045 174.900 0.048 0.000 1.024 431 G CA 0.405 45.501 45.100 -0.007 0.000 0.784 431 G HN 1.756 nan 8.290 nan 0.000 0.507 432 G N -2.679 106.130 108.800 0.014 0.000 2.203 432 G HA2 -0.046 3.908 3.960 -0.009 0.000 0.263 432 G HA3 -0.046 3.908 3.960 -0.009 0.000 0.263 432 G C 0.518 175.444 174.900 0.045 0.000 1.012 432 G CA 0.698 45.813 45.100 0.026 0.000 0.749 432 G HN 1.704 nan 8.290 nan 0.000 0.512 433 V N 0.527 120.462 119.914 0.035 0.000 2.686 433 V HA 0.620 4.735 4.120 -0.009 0.000 0.295 433 V C 1.166 177.373 176.094 0.189 0.000 1.055 433 V CA -0.263 62.099 62.300 0.103 0.000 1.050 433 V CB 1.263 33.154 31.823 0.113 0.000 0.984 433 V HN 1.054 nan 8.190 nan 0.000 0.482 434 A N 3.741 126.661 122.820 0.168 0.000 2.407 434 A HA 0.670 4.985 4.320 -0.009 0.000 0.248 434 A C 0.730 178.408 177.584 0.156 0.000 1.082 434 A CA 0.152 52.291 52.037 0.170 0.000 0.785 434 A CB 0.146 19.201 19.000 0.092 0.000 1.020 434 A HN 1.448 nan 8.150 nan 0.000 0.489 435 A N 1.093 123.910 122.820 -0.006 0.000 2.507 435 A HA 0.354 4.669 4.320 -0.009 0.000 0.235 435 A C 0.639 178.044 177.584 -0.299 0.000 1.070 435 A CA 0.194 51.894 52.037 -0.562 0.000 0.768 435 A CB -0.056 18.530 19.000 -0.690 0.000 1.011 435 A HN 0.911 nan 8.150 nan 0.000 0.502 436 E N 1.408 121.390 120.200 -0.364 0.000 2.344 436 E HA 0.342 4.686 4.350 -0.009 0.000 0.270 436 E C 0.324 176.862 176.600 -0.103 0.000 1.021 436 E CA -0.002 56.285 56.400 -0.190 0.000 0.887 436 E CB 0.587 30.156 29.700 -0.219 0.000 0.997 436 E HN 0.686 nan 8.360 nan 0.000 0.429 437 G N 3.410 112.191 108.800 -0.032 0.000 2.348 437 G HA2 0.114 4.068 3.960 -0.009 0.000 0.312 437 G HA3 0.114 4.068 3.960 -0.009 0.000 0.312 437 G C 0.205 175.133 174.900 0.045 0.000 1.126 437 G CA -0.488 44.618 45.100 0.009 0.000 0.865 437 G HN 0.618 nan 8.290 nan 0.000 0.474 438 E N 0.968 121.218 120.200 0.084 0.000 2.489 438 E HA 0.192 4.537 4.350 -0.009 0.000 0.193 438 E C 0.475 177.084 176.600 0.015 0.000 1.057 438 E CA 0.314 56.796 56.400 0.137 0.000 0.866 438 E CB 0.358 30.265 29.700 0.345 0.000 0.916 438 E HN 0.385 nan 8.360 nan 0.000 0.500 439 L N 0.411 121.601 121.223 -0.055 0.000 2.724 439 L HA 0.286 4.621 4.340 -0.009 0.000 0.258 439 L C -1.063 175.766 176.870 -0.068 0.000 0.967 439 L CA -0.856 53.910 54.840 -0.123 0.000 0.891 439 L CB 1.901 43.773 42.059 -0.312 0.000 1.456 439 L HN -0.244 nan 8.230 nan 0.000 0.416 440 N N 1.483 120.155 118.700 -0.047 0.000 2.444 440 N HA 0.514 5.249 4.740 -0.009 0.000 0.262 440 N C -1.034 174.446 175.510 -0.050 0.000 0.974 440 N CA -0.267 52.762 53.050 -0.036 0.000 0.933 440 N CB 2.357 40.838 38.487 -0.009 0.000 1.137 440 N HN 0.157 nan 8.380 nan 0.000 0.498 441 V N 1.017 120.877 119.914 -0.091 0.000 2.495 441 V HA 0.768 4.882 4.120 -0.009 0.000 0.298 441 V C -0.094 175.873 176.094 -0.212 0.000 1.031 441 V CA -0.940 61.284 62.300 -0.128 0.000 0.871 441 V CB 1.521 33.261 31.823 -0.138 0.000 0.988 441 V HN 0.717 nan 8.190 nan 0.000 0.432 442 A N 5.760 128.446 122.820 -0.224 0.000 2.318 442 A HA 0.843 5.158 4.320 -0.009 0.000 0.317 442 A C -0.736 176.632 177.584 -0.360 0.000 1.159 442 A CA -0.526 51.322 52.037 -0.315 0.000 0.799 442 A CB 0.730 19.578 19.000 -0.252 0.000 1.194 442 A HN 0.779 nan 8.150 nan 0.000 0.479 443 I N 2.584 122.835 120.570 -0.532 0.000 2.342 443 I HA 0.259 4.424 4.170 -0.009 0.000 0.291 443 I C -0.607 175.313 176.117 -0.327 0.000 1.010 443 I CA -0.512 60.524 61.300 -0.440 0.000 1.308 443 I CB 1.473 39.112 38.000 -0.601 0.000 1.400 443 I HN 0.579 nan 8.210 nan 0.000 0.488 444 L N 8.641 129.713 121.223 -0.253 0.000 2.305 444 L HA 0.555 4.890 4.340 -0.009 0.000 0.284 444 L C -0.633 175.991 176.870 -0.410 0.000 1.013 444 L CA 0.141 54.776 54.840 -0.343 0.000 0.819 444 L CB 0.812 42.719 42.059 -0.252 0.000 1.227 444 L HN 0.797 nan 8.230 nan 0.000 0.417 445 N N 1.003 119.333 118.700 -0.615 0.000 3.277 445 N HA 0.334 5.069 4.740 -0.009 0.000 0.278 445 N C -0.125 174.990 175.510 -0.659 0.000 1.544 445 N CA -0.253 52.489 53.050 -0.513 0.000 0.869 445 N CB 0.540 38.980 38.487 -0.079 0.000 1.584 445 N HN 0.170 nan 8.380 nan 0.000 0.564 446 S N -1.389 114.111 115.700 -0.334 0.000 2.428 446 S HA 0.017 4.482 4.470 -0.009 0.000 0.230 446 S C 0.668 174.999 174.600 -0.449 0.000 1.014 446 S CA 0.767 58.766 58.200 -0.335 0.000 0.957 446 S CB -0.490 62.390 63.200 -0.533 0.000 0.784 446 S HN 0.574 nan 8.310 nan 0.000 0.499 447 W N 1.430 122.591 121.300 -0.231 0.000 2.526 447 W HA 0.351 5.005 4.660 -0.009 0.000 0.294 447 W C 1.772 178.181 176.519 -0.182 0.000 1.181 447 W CA 0.571 57.793 57.345 -0.206 0.000 1.373 447 W CB -0.645 28.670 29.460 -0.242 0.000 1.112 447 W HN 0.462 nan 8.180 nan 0.000 0.545 448 G N 0.758 109.577 108.800 0.031 0.000 2.539 448 G HA2 -0.453 3.502 3.960 -0.009 0.000 0.256 448 G HA3 -0.453 3.502 3.960 -0.009 0.000 0.256 448 G C 0.783 175.671 174.900 -0.021 0.000 1.233 448 G CA 0.557 45.643 45.100 -0.024 0.000 0.936 448 G HN 0.188 nan 8.290 nan 0.000 0.571 449 K N 0.337 120.725 120.400 -0.020 0.000 2.089 449 K HA -0.217 4.098 4.320 -0.009 0.000 0.210 449 K C 2.844 179.372 176.600 -0.120 0.000 1.048 449 K CA 2.886 59.139 56.287 -0.056 0.000 0.926 449 K CB -0.370 32.142 32.500 0.020 0.000 0.714 449 K HN 0.672 nan 8.250 nan 0.000 0.448 450 M N -0.874 118.709 119.600 -0.030 0.000 2.267 450 M HA -0.109 4.366 4.480 -0.009 0.000 0.263 450 M C 0.676 176.894 176.300 -0.138 0.000 1.063 450 M CA 1.505 56.800 55.300 -0.009 0.000 1.090 450 M CB 0.012 32.629 32.600 0.028 0.000 1.392 450 M HN -0.096 nan 8.290 nan 0.000 0.422 451 R N 1.608 121.939 120.500 -0.282 0.000 2.791 451 R HA 0.390 4.725 4.340 -0.009 0.000 0.357 451 R C -0.519 175.355 176.300 -0.709 0.000 1.173 451 R CA -0.110 55.721 56.100 -0.449 0.000 1.060 451 R CB 0.044 30.000 30.300 -0.573 0.000 1.406 451 R HN 0.318 nan 8.270 nan 0.000 0.580 452 S N 0.527 115.614 115.700 -1.022 0.000 2.563 452 S HA -0.082 4.383 4.470 -0.009 0.000 0.294 452 S C 0.175 173.983 174.600 -1.320 0.000 1.279 452 S CA 0.040 57.161 58.200 -1.798 0.000 1.069 452 S CB 0.049 62.283 63.200 -1.610 0.000 0.828 452 S HN 0.581 nan 8.310 nan 0.000 0.497 453 W N 0.448 120.804 121.300 -1.572 0.000 3.572 453 W HA -0.296 4.358 4.660 -0.009 0.000 0.298 453 W C 0.872 177.231 176.519 -0.267 0.000 1.113 453 W CA 0.257 57.277 57.345 -0.543 0.000 0.657 453 W CB -2.049 27.259 29.460 -0.252 0.000 2.150 453 W HN 0.617 nan 8.180 nan 0.000 1.471 454 M N -0.502 118.966 119.600 -0.219 0.000 2.313 454 M HA 0.318 4.793 4.480 -0.009 0.000 0.273 454 M C 1.468 177.698 176.300 -0.117 0.000 1.049 454 M CA 0.413 55.742 55.300 0.049 0.000 1.004 454 M CB 0.272 32.904 32.600 0.054 0.000 1.461 454 M HN 0.088 nan 8.290 nan 0.000 0.514 455 A N 0.391 122.988 122.820 -0.373 0.000 2.540 455 A HA 0.243 4.558 4.320 -0.009 0.000 0.239 455 A C 0.043 177.102 177.584 -0.875 0.000 1.061 455 A CA 0.358 51.821 52.037 -0.956 0.000 0.758 455 A CB -0.554 17.705 19.000 -1.235 0.000 0.991 455 A HN 0.635 nan 8.150 nan 0.000 0.502 456 F N -0.631 118.652 119.950 -1.112 0.000 2.544 456 F HA -0.198 4.324 4.527 -0.008 0.000 0.389 456 F C 0.978 177.015 175.800 0.394 0.000 0.588 456 F CA 1.005 58.724 58.000 -0.469 0.000 1.461 456 F CB -2.525 36.388 39.000 -0.146 0.000 1.995 456 F HN 0.532 nan 8.300 nan 0.000 0.282 457 T N 1.223 116.095 114.554 0.530 0.000 2.851 457 T HA 0.494 4.838 4.350 -0.009 0.000 0.298 457 T C 1.216 176.329 174.700 0.690 0.000 0.977 457 T CA 0.142 62.562 62.100 0.533 0.000 1.126 457 T CB 2.200 71.368 68.868 0.500 0.000 0.916 457 T HN 0.027 nan 8.240 nan 0.000 0.529 458 V N 2.030 122.193 119.914 0.416 0.000 2.695 458 V HA 0.401 4.516 4.120 -0.009 0.000 0.230 458 V C 1.125 177.294 176.094 0.125 0.000 1.110 458 V CA 0.319 62.806 62.300 0.313 0.000 1.159 458 V CB -0.399 31.522 31.823 0.163 0.000 0.875 458 V HN 0.929 nan 8.190 nan 0.000 0.502 459 A N -0.361 122.456 122.820 -0.005 0.000 2.301 459 A HA 0.414 4.729 4.320 -0.009 0.000 0.312 459 A C -0.008 177.407 177.584 -0.282 0.000 1.182 459 A CA -0.300 51.662 52.037 -0.125 0.000 0.826 459 A CB -0.126 18.810 19.000 -0.107 0.000 1.134 459 A HN 0.549 nan 8.150 nan 0.000 0.501 460 H N 2.064 120.744 119.070 -0.650 0.000 3.125 460 H HA 0.119 4.670 4.556 -0.009 0.000 0.310 460 H C 1.280 176.275 175.328 -0.555 0.000 0.980 460 H CA 1.641 57.133 56.048 -0.927 0.000 1.422 460 H CB 0.353 29.209 29.762 -1.510 0.000 1.432 460 H HN 1.418 nan 8.280 nan 0.000 0.577 461 A N 4.449 126.759 122.820 -0.851 0.000 2.861 461 A HA -0.216 4.099 4.320 -0.009 0.000 0.261 461 A C 0.316 177.689 177.584 -0.353 0.000 1.351 461 A CA 1.212 52.930 52.037 -0.531 0.000 0.904 461 A CB -1.897 16.870 19.000 -0.388 0.000 1.076 461 A HN 0.641 nan 8.150 nan 0.000 0.729 462 L N 0.727 121.734 121.223 -0.360 0.000 2.637 462 L HA 0.318 4.653 4.340 -0.009 0.000 0.241 462 L C -2.014 174.699 176.870 -0.262 0.000 1.398 462 L CA -1.710 52.979 54.840 -0.251 0.000 0.895 462 L CB 1.099 43.053 42.059 -0.175 0.000 1.183 462 L HN 0.213 nan 8.230 nan 0.000 0.497 463 P HA 0.136 nan 4.420 nan 0.000 0.269 463 P C -1.021 176.220 177.300 -0.099 0.000 1.215 463 P CA -0.028 62.913 63.100 -0.265 0.000 0.780 463 P CB 1.020 32.541 31.700 -0.298 0.000 0.898 464 N N -0.128 118.567 118.700 -0.009 0.000 3.343 464 N HA 0.210 4.945 4.740 -0.009 0.000 0.330 464 N C 0.832 176.382 175.510 0.066 0.000 1.560 464 N CA -0.930 52.106 53.050 -0.024 0.000 0.752 464 N CB 0.461 38.924 38.487 -0.040 0.000 1.863 464 N HN 0.219 nan 8.380 nan 0.000 0.636 465 K N -0.759 119.650 120.400 0.015 0.000 2.044 465 K HA -0.225 4.090 4.320 -0.009 0.000 0.210 465 K C 1.171 177.923 176.600 0.254 0.000 1.049 465 K CA 1.957 58.310 56.287 0.111 0.000 0.927 465 K CB -0.132 32.393 32.500 0.042 0.000 0.713 465 K HN 0.503 nan 8.250 nan 0.000 0.443 466 Q N -0.724 119.154 119.800 0.130 0.000 2.297 466 Q HA -0.061 4.274 4.340 -0.009 0.000 0.204 466 Q C 1.699 177.806 176.000 0.178 0.000 0.962 466 Q CA 1.730 57.594 55.803 0.102 0.000 0.879 466 Q CB 0.332 29.053 28.738 -0.028 0.000 0.947 466 Q HN 0.613 nan 8.270 nan 0.000 0.462 467 T N -4.000 110.698 114.554 0.240 0.000 2.955 467 T HA -0.001 4.344 4.350 -0.009 0.000 0.251 467 T C 1.611 176.493 174.700 0.303 0.000 1.002 467 T CA 0.063 62.397 62.100 0.390 0.000 0.970 467 T CB -0.495 68.627 68.868 0.423 0.000 1.091 467 T HN 0.387 nan 8.240 nan 0.000 0.495 468 Y N 2.158 122.505 120.300 0.080 0.000 2.352 468 Y HA 0.191 4.735 4.550 -0.010 0.000 0.292 468 Y C 2.074 177.966 175.900 -0.014 0.000 1.136 468 Y CA 0.738 58.878 58.100 0.067 0.000 1.227 468 Y CB -0.612 37.867 38.460 0.032 0.000 0.991 468 Y HN 0.161 nan 8.280 nan 0.000 0.545 469 S N -0.251 114.961 115.700 -0.813 0.000 2.481 469 S HA -0.066 4.399 4.470 -0.009 0.000 0.231 469 S C 0.831 174.966 174.600 -0.776 0.000 0.996 469 S CA 1.123 58.770 58.200 -0.921 0.000 0.942 469 S CB -0.394 62.196 63.200 -1.017 0.000 0.768 469 S HN 0.627 nan 8.310 nan 0.000 0.520 470 Y N -1.664 118.416 120.300 -0.366 0.000 2.559 470 Y HA 0.278 4.823 4.550 -0.008 0.000 0.279 470 Y C 1.943 177.447 175.900 -0.661 0.000 1.117 470 Y CA -0.755 56.896 58.100 -0.749 0.000 1.263 470 Y CB -0.824 36.806 38.460 -1.384 0.000 1.230 470 Y HN 0.195 nan 8.280 nan 0.000 0.528 471 Y N 1.144 121.302 120.300 -0.235 0.000 2.256 471 Y HA -0.149 4.395 4.550 -0.009 0.000 0.288 471 Y C 2.444 178.377 175.900 0.056 0.000 1.155 471 Y CA 1.480 59.607 58.100 0.044 0.000 1.203 471 Y CB -0.656 37.887 38.460 0.138 0.000 0.980 471 Y HN 0.130 nan 8.280 nan 0.000 0.530 472 G N 0.326 109.183 108.800 0.095 0.000 2.475 472 G HA2 -0.291 3.664 3.960 -0.009 0.000 0.220 472 G HA3 -0.291 3.664 3.960 -0.009 0.000 0.220 472 G C 1.673 176.595 174.900 0.036 0.000 1.125 472 G CA 1.442 46.592 45.100 0.084 0.000 0.755 472 G HN 0.521 nan 8.290 nan 0.000 0.565 473 I N 0.192 120.751 120.570 -0.018 0.000 2.142 473 I HA -0.130 4.035 4.170 -0.009 0.000 0.240 473 I C 2.735 178.882 176.117 0.049 0.000 1.078 473 I CA 0.693 62.001 61.300 0.014 0.000 1.343 473 I CB -0.294 37.716 38.000 0.017 0.000 1.046 473 I HN 0.110 nan 8.210 nan 0.000 0.405 474 L N 0.269 121.520 121.223 0.046 0.000 2.012 474 L HA -0.237 4.097 4.340 -0.009 0.000 0.210 474 L C 2.675 179.570 176.870 0.043 0.000 1.073 474 L CA 1.592 56.505 54.840 0.122 0.000 0.748 474 L CB -0.729 41.383 42.059 0.088 0.000 0.891 474 L HN 0.270 nan 8.230 nan 0.000 0.431 475 E N 0.391 120.465 120.200 -0.210 0.000 2.085 475 E HA -0.178 4.167 4.350 -0.009 0.000 0.194 475 E C 2.221 178.716 176.600 -0.176 0.000 0.994 475 E CA 1.800 58.010 56.400 -0.318 0.000 0.801 475 E CB -0.064 29.377 29.700 -0.432 0.000 0.743 475 E HN 0.268 nan 8.360 nan 0.000 0.453 476 S N -0.048 115.713 115.700 0.103 0.000 2.359 476 S HA -0.133 4.331 4.470 -0.009 0.000 0.224 476 S C 1.961 176.639 174.600 0.131 0.000 1.035 476 S CA 1.310 59.645 58.200 0.225 0.000 1.018 476 S CB -0.382 62.935 63.200 0.194 0.000 0.876 476 S HN 0.262 nan 8.310 nan 0.000 0.448 477 L N 1.925 123.230 121.223 0.138 0.000 2.131 477 L HA -0.120 4.215 4.340 -0.009 0.000 0.210 477 L C 2.752 179.756 176.870 0.223 0.000 1.092 477 L CA 1.272 56.227 54.840 0.191 0.000 0.759 477 L CB -0.838 41.347 42.059 0.210 0.000 0.903 477 L HN 0.440 nan 8.230 nan 0.000 0.435 478 S N -0.255 115.509 115.700 0.107 0.000 2.387 478 S HA -0.163 4.302 4.470 -0.009 0.000 0.230 478 S C 1.714 176.195 174.600 -0.198 0.000 1.035 478 S CA 1.345 59.384 58.200 -0.268 0.000 1.014 478 S CB -0.712 62.231 63.200 -0.429 0.000 0.836 478 S HN 0.451 nan 8.310 nan 0.000 0.466 479 G N 0.020 108.761 108.800 -0.098 0.000 3.453 479 G HA2 0.446 4.401 3.960 -0.009 0.000 0.263 479 G HA3 0.446 4.401 3.960 -0.009 0.000 0.263 479 G C -0.003 174.888 174.900 -0.015 0.000 1.060 479 G CA -0.520 44.532 45.100 -0.080 0.000 0.793 479 G HN 0.480 nan 8.290 nan 0.000 0.532 480 M N 1.512 121.132 119.600 0.034 0.000 2.250 480 M HA 0.307 4.782 4.480 -0.009 0.000 0.344 480 M C 1.245 177.577 176.300 0.052 0.000 1.150 480 M CA -0.806 54.532 55.300 0.063 0.000 1.147 480 M CB 0.881 33.541 32.600 0.099 0.000 1.498 480 M HN 0.206 nan 8.290 nan 0.000 0.461 481 R N 3.089 123.626 120.500 0.062 0.000 4.739 481 R HA 0.230 4.565 4.340 -0.009 0.000 0.203 481 R C -0.869 175.481 176.300 0.083 0.000 2.125 481 R CA -0.305 55.827 56.100 0.053 0.000 1.743 481 R CB -1.409 28.927 30.300 0.061 0.000 1.271 481 R HN 0.442 nan 8.270 nan 0.000 0.746 482 V N -2.989 116.961 119.914 0.060 0.000 3.160 482 V HA 0.481 4.596 4.120 -0.009 0.000 0.310 482 V C -1.072 175.041 176.094 0.032 0.000 1.181 482 V CA -1.501 60.818 62.300 0.030 0.000 1.047 482 V CB 2.305 34.126 31.823 -0.002 0.000 1.068 482 V HN 0.177 nan 8.190 nan 0.000 0.441 483 N N 1.154 119.861 118.700 0.012 0.000 2.426 483 N HA 0.570 5.304 4.740 -0.009 0.000 0.257 483 N C -0.696 174.808 175.510 -0.011 0.000 1.002 483 N CA -0.147 52.918 53.050 0.025 0.000 0.942 483 N CB 1.688 40.184 38.487 0.016 0.000 1.112 483 N HN 0.662 nan 8.380 nan 0.000 0.499 484 V N 3.142 123.068 119.914 0.019 0.000 2.427 484 V HA 0.529 4.643 4.120 -0.009 0.000 0.286 484 V C 0.504 176.474 176.094 -0.206 0.000 1.034 484 V CA -0.763 61.447 62.300 -0.150 0.000 0.893 484 V CB 1.251 32.973 31.823 -0.168 0.000 0.982 484 V HN 0.670 nan 8.190 nan 0.000 0.452 485 R N 3.051 123.322 120.500 -0.382 0.000 2.888 485 R HA 0.755 5.090 4.340 -0.009 0.000 0.264 485 R C -1.896 174.019 176.300 -0.643 0.000 1.045 485 R CA -0.775 55.140 56.100 -0.309 0.000 0.962 485 R CB 1.804 32.019 30.300 -0.141 0.000 1.210 485 R HN 0.380 nan 8.270 nan 0.000 0.479 486 F N 1.951 121.722 119.950 -0.299 0.000 2.477 486 F HA 0.506 5.027 4.527 -0.009 0.000 0.335 486 F C 0.104 175.759 175.800 -0.241 0.000 1.130 486 F CA -0.864 56.944 58.000 -0.320 0.000 0.948 486 F CB 1.876 40.636 39.000 -0.400 0.000 1.154 486 F HN 0.449 nan 8.300 nan 0.000 0.439 487 I N -0.119 120.365 120.570 -0.143 0.000 2.892 487 I HA 0.840 5.004 4.170 -0.009 0.000 0.306 487 I C -0.466 175.504 176.117 -0.245 0.000 1.078 487 I CA -0.833 60.368 61.300 -0.164 0.000 1.032 487 I CB 2.286 40.171 38.000 -0.191 0.000 1.229 487 I HN 0.489 nan 8.210 nan 0.000 0.435 488 S N 2.538 118.098 115.700 -0.233 0.000 2.681 488 S HA 0.516 4.981 4.470 -0.009 0.000 0.299 488 S C 0.475 174.857 174.600 -0.365 0.000 1.113 488 S CA -0.604 57.398 58.200 -0.330 0.000 1.013 488 S CB 1.254 64.347 63.200 -0.178 0.000 1.076 488 S HN 0.592 nan 8.310 nan 0.000 0.534 489 F N 1.076 120.896 119.950 -0.217 0.000 2.202 489 F HA -0.060 4.462 4.527 -0.009 0.000 0.301 489 F C 2.134 177.792 175.800 -0.237 0.000 1.082 489 F CA 1.291 59.126 58.000 -0.277 0.000 1.313 489 F CB -0.688 38.089 39.000 -0.372 0.000 1.024 489 F HN 0.542 nan 8.300 nan 0.000 0.495 490 D N 0.147 120.516 120.400 -0.052 0.000 2.117 490 D HA -0.149 4.486 4.640 -0.009 0.000 0.198 490 D C 1.818 178.050 176.300 -0.114 0.000 0.982 490 D CA 1.362 55.307 54.000 -0.090 0.000 0.828 490 D CB -0.461 40.290 40.800 -0.082 0.000 0.967 490 D HN 0.219 nan 8.370 nan 0.000 0.464 491 D N 0.583 120.932 120.400 -0.085 0.000 2.103 491 D HA -0.129 4.506 4.640 -0.009 0.000 0.190 491 D C 2.362 178.618 176.300 -0.074 0.000 0.997 491 D CA 0.655 54.634 54.000 -0.035 0.000 0.833 491 D CB -0.479 40.303 40.800 -0.029 0.000 0.961 491 D HN 0.047 nan 8.370 nan 0.000 0.447 492 V N 1.000 120.851 119.914 -0.104 0.000 2.287 492 V HA -0.229 3.885 4.120 -0.009 0.000 0.248 492 V C 2.691 178.716 176.094 -0.115 0.000 1.053 492 V CA 1.259 63.492 62.300 -0.111 0.000 1.027 492 V CB -0.508 31.242 31.823 -0.122 0.000 0.646 492 V HN 0.195 nan 8.190 nan 0.000 0.447 493 L N -0.178 120.967 121.223 -0.129 0.000 2.083 493 L HA -0.132 4.202 4.340 -0.009 0.000 0.209 493 L C 2.591 179.355 176.870 -0.178 0.000 1.083 493 L CA 1.567 56.322 54.840 -0.141 0.000 0.752 493 L CB -0.636 41.337 42.059 -0.143 0.000 0.899 493 L HN 0.369 nan 8.230 nan 0.000 0.433 494 A N -1.495 121.158 122.820 -0.278 0.000 1.975 494 A HA -0.095 4.220 4.320 -0.009 0.000 0.215 494 A C 1.738 178.998 177.584 -0.539 0.000 1.170 494 A CA 0.924 52.684 52.037 -0.463 0.000 0.656 494 A CB -0.259 18.338 19.000 -0.672 0.000 0.821 494 A HN 0.458 nan 8.150 nan 0.000 0.449 495 H N -1.494 117.546 119.070 -0.051 0.000 3.058 495 H HA 0.349 4.899 4.556 -0.009 0.000 0.266 495 H C 1.283 176.579 175.328 -0.053 0.000 1.135 495 H CA 0.270 56.290 56.048 -0.046 0.000 1.174 495 H CB -0.003 29.731 29.762 -0.047 0.000 1.581 495 H HN 0.617 nan 8.280 nan 0.000 0.553 496 G N 1.673 110.475 108.800 0.002 0.000 2.698 496 G HA2 -0.271 3.684 3.960 -0.009 0.000 0.233 496 G HA3 -0.271 3.684 3.960 -0.009 0.000 0.233 496 G C -0.372 174.481 174.900 -0.077 0.000 1.352 496 G CA -0.294 44.788 45.100 -0.029 0.000 0.879 496 G HN 0.211 nan 8.290 nan 0.000 0.567 497 I N 1.220 121.698 120.570 -0.153 0.000 2.315 497 I HA 0.235 4.400 4.170 -0.009 0.000 0.291 497 I C -0.051 175.953 176.117 -0.189 0.000 1.006 497 I CA -0.670 60.444 61.300 -0.309 0.000 1.265 497 I CB 1.275 38.828 38.000 -0.745 0.000 1.387 497 I HN 0.358 nan 8.210 nan 0.000 0.475 498 D N 3.556 123.871 120.400 -0.142 0.000 2.506 498 D HA -0.049 4.586 4.640 -0.009 0.000 0.234 498 D C 1.324 177.629 176.300 0.008 0.000 1.143 498 D CA 0.296 54.263 54.000 -0.055 0.000 0.871 498 D CB 0.900 41.667 40.800 -0.055 0.000 1.190 498 D HN 0.619 nan 8.370 nan 0.000 0.459 499 S N 0.891 116.622 115.700 0.053 0.000 2.515 499 S HA -0.166 4.299 4.470 -0.009 0.000 0.231 499 S C 1.046 175.717 174.600 0.119 0.000 0.987 499 S CA 0.630 58.898 58.200 0.114 0.000 0.936 499 S CB 0.009 63.260 63.200 0.085 0.000 0.766 499 S HN 0.575 nan 8.310 nan 0.000 0.528 500 D N 0.885 121.330 120.400 0.076 0.000 2.350 500 D HA 0.120 4.755 4.640 -0.009 0.000 0.213 500 D C 0.471 176.820 176.300 0.081 0.000 1.031 500 D CA -0.344 53.697 54.000 0.068 0.000 0.861 500 D CB -0.445 40.377 40.800 0.037 0.000 0.926 500 D HN 0.439 nan 8.370 nan 0.000 0.520 501 I N 1.740 122.370 120.570 0.100 0.000 2.556 501 I HA -0.028 4.137 4.170 -0.009 0.000 0.284 501 I C 0.977 177.261 176.117 0.278 0.000 1.114 501 I CA -0.059 61.307 61.300 0.110 0.000 1.418 501 I CB 0.939 38.930 38.000 -0.015 0.000 1.394 501 I HN -0.199 nan 8.210 nan 0.000 0.552 502 D N 4.686 125.202 120.400 0.192 0.000 2.323 502 D HA 0.105 4.740 4.640 -0.009 0.000 0.218 502 D C 0.018 176.478 176.300 0.267 0.000 0.973 502 D CA 1.169 55.278 54.000 0.181 0.000 0.890 502 D CB 0.765 41.585 40.800 0.033 0.000 1.011 502 D HN 0.202 nan 8.370 nan 0.000 0.499 503 V N 1.732 121.783 119.914 0.228 0.000 2.686 503 V HA 0.372 4.487 4.120 -0.009 0.000 0.306 503 V C -0.313 175.866 176.094 0.142 0.000 1.065 503 V CA -0.754 61.678 62.300 0.219 0.000 0.894 503 V CB 2.857 34.707 31.823 0.045 0.000 1.004 503 V HN -0.080 nan 8.190 nan 0.000 0.424 504 I N 4.824 125.509 120.570 0.192 0.000 2.412 504 I HA 0.524 4.689 4.170 -0.009 0.000 0.296 504 I C -0.692 175.324 176.117 -0.168 0.000 0.987 504 I CA -0.494 60.804 61.300 -0.005 0.000 1.180 504 I CB 1.815 39.852 38.000 0.063 0.000 1.340 504 I HN 0.451 nan 8.210 nan 0.000 0.455 505 I N 6.263 126.694 120.570 -0.231 0.000 2.378 505 I HA 0.324 4.488 4.170 -0.009 0.000 0.291 505 I C -0.282 175.683 176.117 -0.252 0.000 0.992 505 I CA -0.442 60.674 61.300 -0.307 0.000 1.154 505 I CB 1.546 39.418 38.000 -0.214 0.000 1.315 505 I HN 0.576 nan 8.210 nan 0.000 0.448 506 N N 4.647 123.152 118.700 -0.325 0.000 2.346 506 N HA 0.708 5.442 4.740 -0.009 0.000 0.289 506 N C -1.107 174.369 175.510 -0.057 0.000 1.027 506 N CA -0.248 52.766 53.050 -0.060 0.000 0.864 506 N CB 2.534 41.145 38.487 0.206 0.000 1.370 506 N HN 0.835 nan 8.380 nan 0.000 0.481 507 G N 0.615 109.450 108.800 0.059 0.000 2.698 507 G HA2 0.732 4.687 3.960 -0.009 0.000 0.293 507 G HA3 0.732 4.687 3.960 -0.009 0.000 0.293 507 G C -0.777 174.144 174.900 0.034 0.000 1.437 507 G CA -0.129 44.997 45.100 0.043 0.000 0.852 507 G HN 0.827 nan 8.290 nan 0.000 0.499 508 G N -0.059 108.536 108.800 -0.342 0.000 2.359 508 G HA2 0.446 4.401 3.960 -0.009 0.000 0.303 508 G HA3 0.446 4.401 3.960 -0.009 0.000 0.303 508 G C -3.525 171.138 174.900 -0.395 0.000 1.293 508 G CA -0.447 44.194 45.100 -0.764 0.000 0.964 508 G HN 0.685 nan 8.290 nan 0.000 0.531 509 P HA 0.456 nan 4.420 nan 0.000 0.276 509 P C 0.491 177.907 177.300 0.192 0.000 1.252 509 P CA -0.541 62.682 63.100 0.204 0.000 0.802 509 P CB 1.232 33.142 31.700 0.350 0.000 1.035 510 V N 1.738 121.789 119.914 0.229 0.000 2.901 510 V HA -0.029 4.086 4.120 -0.009 0.000 0.307 510 V C 0.246 176.444 176.094 0.173 0.000 1.084 510 V CA 0.927 63.333 62.300 0.177 0.000 1.184 510 V CB -0.878 31.123 31.823 0.296 0.000 0.941 510 V HN 0.678 nan 8.190 nan 0.000 0.493 511 D N 2.231 122.697 120.400 0.111 0.000 2.800 511 D HA -0.128 4.507 4.640 -0.009 0.000 0.232 511 D C 0.193 176.556 176.300 0.105 0.000 1.137 511 D CA 1.474 55.529 54.000 0.092 0.000 0.718 511 D CB -1.320 39.546 40.800 0.110 0.000 1.084 511 D HN 1.143 nan 8.370 nan 0.000 0.432 512 T N -5.159 109.459 114.554 0.107 0.000 2.930 512 T HA 0.764 5.109 4.350 -0.009 0.000 0.290 512 T C 1.480 176.119 174.700 -0.101 0.000 1.052 512 T CA -0.280 61.873 62.100 0.089 0.000 1.017 512 T CB 2.068 71.108 68.868 0.286 0.000 1.137 512 T HN -0.036 nan 8.240 nan 0.000 0.511 513 A N 0.335 122.945 122.820 -0.351 0.000 2.084 513 A HA 0.071 4.385 4.320 -0.009 0.000 0.221 513 A C 1.522 178.772 177.584 -0.557 0.000 1.161 513 A CA 1.287 52.953 52.037 -0.618 0.000 0.653 513 A CB -1.119 17.311 19.000 -0.950 0.000 0.802 513 A HN 0.767 nan 8.150 nan 0.000 0.457 514 F N -0.062 119.828 119.950 -0.099 0.000 2.473 514 F HA 0.014 4.536 4.527 -0.009 0.000 0.294 514 F C 2.708 178.532 175.800 0.040 0.000 1.103 514 F CA 1.391 59.298 58.000 -0.156 0.000 1.442 514 F CB -0.773 37.987 39.000 -0.400 0.000 1.097 514 F HN 0.305 nan 8.300 nan 0.000 0.547 515 T N -3.777 110.913 114.554 0.226 0.000 2.939 515 T HA 0.456 4.801 4.350 -0.009 0.000 0.254 515 T C 1.942 176.948 174.700 0.510 0.000 1.041 515 T CA 0.993 63.278 62.100 0.307 0.000 1.142 515 T CB 0.023 68.976 68.868 0.140 0.000 0.874 515 T HN 0.358 nan 8.240 nan 0.000 0.452 516 G N 0.378 109.322 108.800 0.239 0.000 2.480 516 G HA2 0.304 4.258 3.960 -0.009 0.000 0.193 516 G HA3 0.304 4.258 3.960 -0.009 0.000 0.193 516 G C 1.056 175.841 174.900 -0.192 0.000 1.004 516 G CA 0.407 45.495 45.100 -0.020 0.000 0.696 516 G HN 1.505 nan 8.290 nan 0.000 0.478 517 G N 0.766 109.553 108.800 -0.022 0.000 2.556 517 G HA2 -0.287 3.668 3.960 -0.009 0.000 0.283 517 G HA3 -0.287 3.668 3.960 -0.009 0.000 0.283 517 G C 0.491 175.321 174.900 -0.117 0.000 1.177 517 G CA 0.985 46.050 45.100 -0.060 0.000 0.978 517 G HN 0.733 nan 8.290 nan 0.000 0.554 518 D N 0.270 120.563 120.400 -0.177 0.000 2.371 518 D HA 0.087 4.722 4.640 -0.009 0.000 0.221 518 D C 2.374 178.469 176.300 -0.341 0.000 0.986 518 D CA 0.872 54.740 54.000 -0.219 0.000 0.899 518 D CB 0.027 40.719 40.800 -0.180 0.000 0.902 518 D HN 0.365 nan 8.370 nan 0.000 0.530 519 V N -0.452 119.172 119.914 -0.484 0.000 2.546 519 V HA -0.229 3.886 4.120 -0.009 0.000 0.254 519 V C 1.397 177.051 176.094 -0.732 0.000 1.076 519 V CA 1.486 63.365 62.300 -0.701 0.000 1.087 519 V CB -0.436 30.726 31.823 -1.102 0.000 0.674 519 V HN 0.331 nan 8.190 nan 0.000 0.470 520 W N 0.167 121.182 121.300 -0.475 0.000 2.699 520 W HA -0.052 4.604 4.660 -0.008 0.000 0.249 520 W C 2.384 178.659 176.519 -0.407 0.000 1.280 520 W CA 1.054 58.170 57.345 -0.381 0.000 1.345 520 W CB -0.471 28.805 29.460 -0.307 0.000 1.128 520 W HN 0.435 nan 8.180 nan 0.000 0.642 521 T N -2.845 111.468 114.554 -0.402 0.000 3.129 521 T HA 0.011 4.356 4.350 -0.009 0.000 0.251 521 T C 0.658 175.070 174.700 -0.481 0.000 1.117 521 T CA -0.164 61.447 62.100 -0.815 0.000 1.034 521 T CB -0.351 67.788 68.868 -1.214 0.000 0.968 521 T HN -0.137 nan 8.240 nan 0.000 0.526 522 N N 3.235 121.736 118.700 -0.332 0.000 2.402 522 N HA 0.186 4.921 4.740 -0.009 0.000 0.252 522 N C -1.481 173.941 175.510 -0.147 0.000 1.118 522 N CA -2.254 50.657 53.050 -0.233 0.000 0.945 522 N CB 1.716 40.041 38.487 -0.270 0.000 1.147 522 N HN 0.089 nan 8.380 nan 0.000 0.495 523 P HA -0.177 nan 4.420 nan 0.000 0.219 523 P C 1.031 178.317 177.300 -0.023 0.000 1.146 523 P CA 1.147 64.240 63.100 -0.011 0.000 0.808 523 P CB 0.515 32.228 31.700 0.021 0.000 0.779 524 K N -0.398 119.969 120.400 -0.056 0.000 2.097 524 K HA -0.143 4.171 4.320 -0.009 0.000 0.206 524 K C 2.109 178.669 176.600 -0.066 0.000 1.049 524 K CA 0.868 57.122 56.287 -0.055 0.000 0.933 524 K CB -0.622 31.833 32.500 -0.075 0.000 0.717 524 K HN -0.034 nan 8.250 nan 0.000 0.442 525 L N 0.532 121.683 121.223 -0.120 0.000 2.027 525 L HA -0.105 4.229 4.340 -0.009 0.000 0.206 525 L C 1.933 178.774 176.870 -0.049 0.000 1.074 525 L CA 1.452 56.196 54.840 -0.161 0.000 0.745 525 L CB -0.485 41.347 42.059 -0.378 0.000 0.898 525 L HN -0.008 nan 8.230 nan 0.000 0.433 526 V N -0.017 119.905 119.914 0.013 0.000 2.343 526 V HA -0.281 3.834 4.120 -0.009 0.000 0.247 526 V C 2.525 178.665 176.094 0.075 0.000 1.051 526 V CA 2.009 64.370 62.300 0.103 0.000 1.036 526 V CB -0.578 31.316 31.823 0.118 0.000 0.654 526 V HN 0.517 nan 8.190 nan 0.000 0.451 527 E N -0.203 120.029 120.200 0.052 0.000 2.058 527 E HA -0.206 4.139 4.350 -0.009 0.000 0.194 527 E C 2.270 178.915 176.600 0.076 0.000 0.997 527 E CA 1.953 58.390 56.400 0.061 0.000 0.801 527 E CB -0.384 29.339 29.700 0.040 0.000 0.746 527 E HN 0.573 nan 8.360 nan 0.000 0.450 528 T N 0.726 115.311 114.554 0.052 0.000 2.708 528 T HA -0.142 4.203 4.350 -0.009 0.000 0.266 528 T C 2.108 176.886 174.700 0.129 0.000 1.037 528 T CA 1.355 63.494 62.100 0.065 0.000 1.146 528 T CB -0.250 68.620 68.868 0.004 0.000 0.865 528 T HN -0.025 nan 8.240 nan 0.000 0.435 529 V N 1.312 121.292 119.914 0.112 0.000 2.270 529 V HA -0.143 3.972 4.120 -0.009 0.000 0.245 529 V C 2.630 178.842 176.094 0.197 0.000 1.043 529 V CA 1.552 63.950 62.300 0.163 0.000 1.014 529 V CB -0.606 31.255 31.823 0.063 0.000 0.645 529 V HN 0.340 nan 8.190 nan 0.000 0.447 530 R N 0.242 120.815 120.500 0.123 0.000 2.083 530 R HA -0.177 4.158 4.340 -0.009 0.000 0.237 530 R C 2.471 178.930 176.300 0.265 0.000 1.137 530 R CA 1.668 57.878 56.100 0.183 0.000 0.951 530 R CB -0.712 29.707 30.300 0.200 0.000 0.851 530 R HN 0.541 nan 8.270 nan 0.000 0.434 531 A N 0.176 123.120 122.820 0.207 0.000 1.940 531 A HA -0.216 4.099 4.320 -0.009 0.000 0.219 531 A C 1.892 179.601 177.584 0.208 0.000 1.176 531 A CA 1.352 53.494 52.037 0.176 0.000 0.631 531 A CB -0.811 18.272 19.000 0.138 0.000 0.814 531 A HN 0.643 nan 8.150 nan 0.000 0.446 532 W N 0.498 121.841 121.300 0.072 0.000 2.381 532 W HA -0.118 4.537 4.660 -0.009 0.000 0.301 532 W C 1.915 178.489 176.519 0.093 0.000 1.205 532 W CA 1.990 59.377 57.345 0.069 0.000 1.285 532 W CB -0.285 29.210 29.460 0.058 0.000 1.133 532 W HN 0.089 nan 8.180 nan 0.000 0.521 533 V N 1.200 121.160 119.914 0.077 0.000 2.295 533 V HA -0.283 3.832 4.120 -0.009 0.000 0.246 533 V C 2.388 178.485 176.094 0.004 0.000 1.049 533 V CA 2.297 64.540 62.300 -0.096 0.000 1.024 533 V CB -1.083 30.780 31.823 0.067 0.000 0.648 533 V HN 0.064 nan 8.190 nan 0.000 0.447 534 R N 1.063 121.665 120.500 0.170 0.000 2.139 534 R HA -0.128 4.207 4.340 -0.009 0.000 0.243 534 R C 2.048 178.330 176.300 -0.029 0.000 1.145 534 R CA 1.579 57.731 56.100 0.087 0.000 0.976 534 R CB -0.929 29.401 30.300 0.049 0.000 0.866 534 R HN 0.532 nan 8.270 nan 0.000 0.449 535 G N -2.611 106.146 108.800 -0.071 0.000 2.920 535 G HA2 0.236 4.191 3.960 -0.009 0.000 0.208 535 G HA3 0.236 4.191 3.960 -0.009 0.000 0.208 535 G C 0.761 175.556 174.900 -0.176 0.000 1.159 535 G CA 0.411 45.448 45.100 -0.105 0.000 0.784 535 G HN 0.548 nan 8.290 nan 0.000 0.535 536 G N -1.573 107.085 108.800 -0.237 0.000 2.318 536 G HA2 0.054 4.009 3.960 -0.009 0.000 0.172 536 G HA3 0.054 4.009 3.960 -0.009 0.000 0.172 536 G C 0.765 175.413 174.900 -0.421 0.000 1.002 536 G CA 0.104 45.056 45.100 -0.248 0.000 0.697 536 G HN 0.854 nan 8.290 nan 0.000 0.483 537 G N 0.106 108.388 108.800 -0.864 0.000 2.699 537 G HA2 0.636 4.590 3.960 -0.009 0.000 0.246 537 G HA3 0.636 4.590 3.960 -0.009 0.000 0.246 537 G C 0.182 174.676 174.900 -0.677 0.000 1.219 537 G CA 0.688 44.838 45.100 -1.582 0.000 0.866 537 G HN 1.584 nan 8.290 nan 0.000 0.572 538 A N -0.402 122.181 122.820 -0.395 0.000 2.374 538 A HA 0.652 4.967 4.320 -0.009 0.000 0.305 538 A C -1.520 176.264 177.584 0.334 0.000 1.053 538 A CA -0.554 51.505 52.037 0.037 0.000 0.726 538 A CB 1.341 20.361 19.000 0.034 0.000 1.229 538 A HN 0.851 nan 8.150 nan 0.000 0.431 539 F N 3.222 123.247 119.950 0.124 0.000 2.477 539 F HA 0.605 5.127 4.527 -0.009 0.000 0.335 539 F C -0.946 174.893 175.800 0.065 0.000 1.130 539 F CA -0.598 57.487 58.000 0.142 0.000 0.948 539 F CB 1.866 40.940 39.000 0.123 0.000 1.154 539 F HN 0.338 nan 8.300 nan 0.000 0.439 540 V N 5.600 125.225 119.914 -0.481 0.000 2.347 540 V HA 0.635 4.749 4.120 -0.009 0.000 0.280 540 V C 0.306 176.038 176.094 -0.603 0.000 1.021 540 V CA -0.607 61.475 62.300 -0.364 0.000 0.847 540 V CB 1.183 32.888 31.823 -0.196 0.000 0.990 540 V HN 0.939 nan 8.190 nan 0.000 0.444 541 G N 3.765 112.347 108.800 -0.364 0.000 2.368 541 G HA2 0.603 4.558 3.960 -0.009 0.000 0.320 541 G HA3 0.603 4.558 3.960 -0.009 0.000 0.320 541 G C -0.948 173.811 174.900 -0.234 0.000 1.158 541 G CA -0.403 44.532 45.100 -0.275 0.000 0.912 541 G HN 0.543 nan 8.290 nan 0.000 0.456 542 V N 2.798 122.595 119.914 -0.196 0.000 2.417 542 V HA 0.789 4.903 4.120 -0.009 0.000 0.291 542 V C 1.188 177.287 176.094 0.008 0.000 1.024 542 V CA 0.752 62.952 62.300 -0.167 0.000 0.861 542 V CB 0.403 32.194 31.823 -0.054 0.000 0.985 542 V HN 1.550 nan 8.190 nan 0.000 0.436 543 G N 5.031 113.831 108.800 0.000 0.000 3.487 543 G HA2 -0.247 3.708 3.960 -0.009 0.000 0.295 543 G HA3 -0.247 3.708 3.960 -0.009 0.000 0.295 543 G C 0.203 175.259 174.900 0.261 0.000 1.454 543 G CA 0.474 45.740 45.100 0.277 0.000 1.039 543 G HN 0.711 nan 8.290 nan 0.000 0.624 544 E N 2.357 122.604 120.200 0.079 0.000 3.896 544 E HA 0.305 4.650 4.350 -0.009 0.000 0.217 544 E C -2.601 173.685 176.600 -0.523 0.000 1.150 544 E CA -1.551 54.744 56.400 -0.175 0.000 1.338 544 E CB 1.940 31.804 29.700 0.273 0.000 1.242 544 E HN 0.456 nan 8.360 nan 0.000 0.435 545 P HA -0.106 nan 4.420 nan 0.000 0.267 545 P C 0.430 177.303 177.300 -0.712 0.000 1.200 545 P CA 0.505 63.325 63.100 -0.468 0.000 0.772 545 P CB 1.035 32.558 31.700 -0.295 0.000 0.855 546 S N -0.133 115.033 115.700 -0.890 0.000 3.350 546 S HA -0.208 4.257 4.470 -0.009 0.000 0.341 546 S C 0.312 174.307 174.600 -1.008 0.000 1.176 546 S CA 0.971 58.063 58.200 -1.845 0.000 0.972 546 S CB -3.104 59.028 63.200 -1.779 0.000 0.953 546 S HN 0.789 nan 8.310 nan 0.000 0.565 547 S N 0.286 115.606 115.700 -0.634 0.000 2.549 547 S HA 0.711 5.176 4.470 -0.009 0.000 0.279 547 S C -0.001 174.346 174.600 -0.422 0.000 1.321 547 S CA -0.226 57.622 58.200 -0.587 0.000 1.054 547 S CB 1.528 64.330 63.200 -0.664 0.000 0.899 547 S HN 1.947 nan 8.310 nan 0.000 0.497 548 A N 3.437 125.992 122.820 -0.442 0.000 2.476 548 A HA 0.678 4.993 4.320 -0.009 0.000 0.280 548 A C -3.005 174.576 177.584 -0.004 0.000 1.081 548 A CA -1.560 50.394 52.037 -0.139 0.000 0.753 548 A CB 1.091 20.066 19.000 -0.042 0.000 1.248 548 A HN 0.651 nan 8.150 nan 0.000 0.424 549 P HA 0.331 nan 4.420 nan 0.000 0.275 549 P C 0.309 177.768 177.300 0.265 0.000 1.227 549 P CA 0.033 63.346 63.100 0.356 0.000 0.781 549 P CB 0.779 32.677 31.700 0.330 0.000 0.906 550 R N -0.734 119.924 120.500 0.263 0.000 3.997 550 R HA -0.267 4.067 4.340 -0.009 0.000 0.431 550 R C 1.259 177.677 176.300 0.197 0.000 1.066 550 R CA 1.026 57.237 56.100 0.184 0.000 1.382 550 R CB -2.354 28.030 30.300 0.141 0.000 1.978 550 R HN 0.408 nan 8.270 nan 0.000 0.550 551 F N 1.647 121.641 119.950 0.074 0.000 2.084 551 F HA -0.041 4.481 4.527 -0.009 0.000 0.296 551 F C 0.913 176.740 175.800 0.046 0.000 1.111 551 F CA 1.666 59.694 58.000 0.046 0.000 1.224 551 F CB 0.236 39.257 39.000 0.035 0.000 0.991 551 F HN 0.034 nan 8.300 nan 0.000 0.471 552 Q N -0.353 119.446 119.800 -0.002 0.000 2.330 552 Q HA 0.203 4.538 4.340 -0.009 0.000 0.269 552 Q C 0.835 176.844 176.000 0.016 0.000 1.022 552 Q CA -0.133 55.612 55.803 -0.097 0.000 0.796 552 Q CB 1.892 30.594 28.738 -0.060 0.000 1.271 552 Q HN 0.029 nan 8.270 nan 0.000 0.450 553 T N 1.103 115.648 114.554 -0.015 0.000 2.737 553 T HA -0.160 4.185 4.350 -0.009 0.000 0.269 553 T C 1.372 176.084 174.700 0.019 0.000 1.040 553 T CA 1.795 63.901 62.100 0.010 0.000 1.142 553 T CB -0.023 68.839 68.868 -0.011 0.000 0.861 553 T HN 0.843 nan 8.240 nan 0.000 0.456 554 G N 0.083 108.890 108.800 0.012 0.000 3.233 554 G HA2 0.322 4.277 3.960 -0.009 0.000 0.234 554 G HA3 0.322 4.277 3.960 -0.009 0.000 0.234 554 G C 0.362 175.290 174.900 0.046 0.000 1.137 554 G CA -0.434 44.678 45.100 0.021 0.000 0.763 554 G HN 0.272 nan 8.290 nan 0.000 0.549 555 R N -0.705 119.837 120.500 0.070 0.000 2.531 555 R HA 0.456 4.790 4.340 -0.009 0.000 0.293 555 R C -0.700 175.702 176.300 0.169 0.000 1.124 555 R CA -0.768 55.381 56.100 0.083 0.000 0.945 555 R CB 0.480 30.819 30.300 0.064 0.000 1.195 555 R HN -0.051 nan 8.270 nan 0.000 0.433 556 F N 3.984 123.906 119.950 -0.047 0.000 2.298 556 F HA 0.406 4.928 4.527 -0.008 0.000 0.282 556 F C -0.066 175.828 175.800 0.158 0.000 1.045 556 F CA 0.292 58.300 58.000 0.014 0.000 1.280 556 F CB 0.314 39.251 39.000 -0.104 0.000 1.114 556 F HN 0.375 nan 8.300 nan 0.000 0.546 557 F N 3.029 122.930 119.950 -0.080 0.000 2.502 557 F HA 0.176 4.698 4.527 -0.009 0.000 0.371 557 F C 1.524 177.194 175.800 -0.218 0.000 1.083 557 F CA -0.892 56.959 58.000 -0.249 0.000 1.174 557 F CB 0.024 38.917 39.000 -0.179 0.000 1.096 557 F HN 0.150 nan 8.300 nan 0.000 0.545 558 Q N 2.779 122.508 119.800 -0.118 0.000 2.291 558 Q HA -0.022 4.313 4.340 -0.009 0.000 0.205 558 Q C 1.393 177.333 176.000 -0.101 0.000 0.970 558 Q CA 0.999 56.767 55.803 -0.058 0.000 0.876 558 Q CB 0.100 28.838 28.738 -0.000 0.000 0.935 558 Q HN 0.650 nan 8.270 nan 0.000 0.455 559 L N 0.465 121.542 121.223 -0.244 0.000 2.912 559 L HA 0.272 4.606 4.340 -0.009 0.000 0.240 559 L C 1.570 178.355 176.870 -0.141 0.000 1.262 559 L CA -0.267 54.414 54.840 -0.265 0.000 1.058 559 L CB -0.219 41.517 42.059 -0.538 0.000 1.383 559 L HN -0.004 nan 8.230 nan 0.000 0.512 560 A N 0.851 123.651 122.820 -0.033 0.000 1.978 560 A HA -0.240 4.075 4.320 -0.009 0.000 0.220 560 A C 2.069 179.630 177.584 -0.039 0.000 1.170 560 A CA 1.980 54.014 52.037 -0.005 0.000 0.636 560 A CB -0.265 18.704 19.000 -0.051 0.000 0.810 560 A HN 0.645 nan 8.150 nan 0.000 0.448 561 D N 0.062 120.446 120.400 -0.027 0.000 2.178 561 D HA -0.112 4.523 4.640 -0.009 0.000 0.202 561 D C 1.776 178.078 176.300 0.003 0.000 0.974 561 D CA 1.580 55.608 54.000 0.047 0.000 0.841 561 D CB -0.851 40.039 40.800 0.150 0.000 0.953 561 D HN 0.264 nan 8.370 nan 0.000 0.478 562 V N 1.865 121.603 119.914 -0.293 0.000 2.307 562 V HA -0.172 3.943 4.120 -0.009 0.000 0.245 562 V C 2.603 178.619 176.094 -0.130 0.000 1.045 562 V CA 1.797 63.756 62.300 -0.569 0.000 1.024 562 V CB -0.555 30.858 31.823 -0.683 0.000 0.651 562 V HN 0.403 nan 8.190 nan 0.000 0.449 563 I N -2.237 118.324 120.570 -0.015 0.000 3.783 563 I HA 0.476 4.640 4.170 -0.009 0.000 0.310 563 I C 1.482 177.628 176.117 0.050 0.000 1.274 563 I CA 0.910 62.263 61.300 0.089 0.000 1.294 563 I CB 0.056 38.169 38.000 0.188 0.000 1.051 563 I HN 0.393 nan 8.210 nan 0.000 0.435 564 G N 1.812 110.611 108.800 -0.001 0.000 2.143 564 G HA2 -0.193 3.762 3.960 -0.009 0.000 0.249 564 G HA3 -0.193 3.762 3.960 -0.009 0.000 0.249 564 G C -0.034 174.772 174.900 -0.156 0.000 0.981 564 G CA 0.182 45.256 45.100 -0.043 0.000 0.665 564 G HN 0.368 nan 8.290 nan 0.000 0.528 565 V N 0.017 119.811 119.914 -0.200 0.000 2.760 565 V HA 0.733 4.848 4.120 -0.009 0.000 0.309 565 V C -0.674 175.138 176.094 -0.470 0.000 1.077 565 V CA -0.770 61.276 62.300 -0.423 0.000 0.910 565 V CB 2.115 33.611 31.823 -0.544 0.000 1.008 565 V HN 0.265 nan 8.190 nan 0.000 0.424 566 D N 1.736 121.597 120.400 -0.897 0.000 2.493 566 D HA 0.429 5.063 4.640 -0.009 0.000 0.239 566 D C -0.879 174.706 176.300 -1.192 0.000 1.049 566 D CA -0.534 52.805 54.000 -1.101 0.000 1.008 566 D CB 2.584 42.908 40.800 -0.795 0.000 1.398 566 D HN 0.671 nan 8.370 nan 0.000 0.513 567 E N 0.995 120.493 120.200 -1.171 0.000 2.156 567 E HA 0.222 4.567 4.350 -0.009 0.000 0.279 567 E C -0.900 175.528 176.600 -0.287 0.000 0.965 567 E CA -0.643 55.408 56.400 -0.580 0.000 0.789 567 E CB 1.087 30.514 29.700 -0.455 0.000 1.098 567 E HN 0.253 nan 8.360 nan 0.000 0.397 568 E N 3.536 123.682 120.200 -0.089 0.000 2.366 568 E HA -0.019 4.326 4.350 -0.009 0.000 0.266 568 E C -0.253 176.097 176.600 -0.416 0.000 1.015 568 E CA 0.220 56.504 56.400 -0.193 0.000 0.906 568 E CB 0.548 30.080 29.700 -0.281 0.000 0.979 568 E HN 0.379 nan 8.360 nan 0.000 0.443 569 R N 4.082 124.352 120.500 -0.383 0.000 2.613 569 R HA 0.099 4.434 4.340 -0.009 0.000 0.361 569 R C -0.380 175.854 176.300 -0.109 0.000 1.072 569 R CA -0.399 55.498 56.100 -0.338 0.000 1.089 569 R CB -0.524 29.546 30.300 -0.384 0.000 1.343 569 R HN 0.796 nan 8.270 nan 0.000 0.571 570 Y N -0.649 119.585 120.300 -0.111 0.000 4.841 570 Y HA -0.279 4.264 4.550 -0.010 0.000 0.242 570 Y C 1.365 177.222 175.900 -0.071 0.000 1.002 570 Y CA 0.771 58.821 58.100 -0.083 0.000 2.011 570 Y CB -1.561 36.858 38.460 -0.068 0.000 1.554 570 Y HN 0.111 nan 8.280 nan 0.000 0.618 571 Q N -0.528 119.272 119.800 0.001 0.000 2.391 571 Q HA 0.150 4.485 4.340 -0.009 0.000 0.211 571 Q C 1.583 177.561 176.000 -0.037 0.000 0.908 571 Q CA 1.437 57.237 55.803 -0.005 0.000 0.920 571 Q CB 0.148 28.883 28.738 -0.006 0.000 1.056 571 Q HN 0.675 nan 8.270 nan 0.000 0.523 572 T N -2.538 111.966 114.554 -0.084 0.000 3.266 572 T HA 0.367 4.712 4.350 -0.009 0.000 0.278 572 T C 1.423 176.036 174.700 -0.145 0.000 1.010 572 T CA -0.228 61.806 62.100 -0.110 0.000 0.909 572 T CB -0.250 68.542 68.868 -0.127 0.000 1.122 572 T HN 0.003 nan 8.240 nan 0.000 0.536 573 L N 0.541 121.700 121.223 -0.107 0.000 2.265 573 L HA -0.017 4.318 4.340 -0.009 0.000 0.215 573 L C 2.583 179.394 176.870 -0.098 0.000 1.117 573 L CA 0.739 55.514 54.840 -0.109 0.000 0.782 573 L CB -0.582 41.454 42.059 -0.039 0.000 0.914 573 L HN 0.342 nan 8.230 nan 0.000 0.441 574 S N -0.739 114.916 115.700 -0.075 0.000 2.474 574 S HA -0.018 4.447 4.470 -0.009 0.000 0.235 574 S C 0.828 175.380 174.600 -0.079 0.000 0.997 574 S CA 0.255 58.417 58.200 -0.063 0.000 0.949 574 S CB -0.015 63.161 63.200 -0.041 0.000 0.766 574 S HN 0.080 nan 8.310 nan 0.000 0.517 575 V N 3.217 123.062 119.914 -0.114 0.000 2.385 575 V HA 0.198 4.312 4.120 -0.009 0.000 0.269 575 V C -0.361 175.620 176.094 -0.188 0.000 1.043 575 V CA -0.888 61.339 62.300 -0.122 0.000 0.906 575 V CB 0.851 32.598 31.823 -0.126 0.000 0.995 575 V HN 0.208 nan 8.190 nan 0.000 0.467 576 D N 4.613 124.912 120.400 -0.168 0.000 2.424 576 D HA 0.183 4.818 4.640 -0.009 0.000 0.244 576 D C 0.054 176.075 176.300 -0.465 0.000 1.134 576 D CA 0.174 53.978 54.000 -0.327 0.000 0.881 576 D CB 0.583 41.187 40.800 -0.326 0.000 1.191 576 D HN 0.329 nan 8.370 nan 0.000 0.445 577 K N 2.604 122.707 120.400 -0.495 0.000 2.213 577 K HA 0.300 4.614 4.320 -0.009 0.000 0.270 577 K C -1.021 175.380 176.600 -0.333 0.000 1.002 577 K CA -0.590 55.498 56.287 -0.333 0.000 0.868 577 K CB 0.825 33.216 32.500 -0.181 0.000 1.093 577 K HN 0.403 nan 8.250 nan 0.000 0.454 578 Y N 2.041 122.435 120.300 0.157 0.000 2.328 578 Y HA 0.346 4.890 4.550 -0.010 0.000 0.337 578 Y C -0.109 175.939 175.900 0.246 0.000 0.966 578 Y CA -0.768 57.449 58.100 0.194 0.000 1.136 578 Y CB 0.887 39.392 38.460 0.074 0.000 1.170 578 Y HN 0.391 nan 8.280 nan 0.000 0.470 579 F N 5.892 125.900 119.950 0.096 0.000 2.410 579 F HA 0.417 4.942 4.527 -0.003 0.000 0.349 579 F C -1.855 173.930 175.800 -0.024 0.000 1.117 579 F CA -2.427 55.597 58.000 0.039 0.000 1.104 579 F CB 1.188 40.207 39.000 0.031 0.000 1.122 579 F HN 0.325 nan 8.300 nan 0.000 0.483 580 P HA 0.178 nan 4.420 nan 0.000 0.274 580 P C -2.711 174.536 177.300 -0.089 0.000 1.246 580 P CA -1.674 61.423 63.100 -0.005 0.000 0.795 580 P CB 0.065 31.769 31.700 0.007 0.000 1.006 581 P HA 0.017 nan 4.420 nan 0.000 0.265 581 P C -0.184 177.168 177.300 0.088 0.000 1.193 581 P CA 0.193 63.109 63.100 -0.306 0.000 0.765 581 P CB 0.198 31.794 31.700 -0.173 0.000 0.823 582 V N 4.441 124.561 119.914 0.344 0.000 2.740 582 V HA -0.029 4.086 4.120 -0.009 0.000 0.303 582 V C 0.542 176.839 176.094 0.337 0.000 1.054 582 V CA 0.223 62.744 62.300 0.369 0.000 1.106 582 V CB 0.924 33.042 31.823 0.492 0.000 0.957 582 V HN 0.220 nan 8.190 nan 0.000 0.486 583 V N 8.221 128.245 119.914 0.183 0.000 2.304 583 V HA 0.211 4.326 4.120 -0.009 0.000 0.262 583 V C -1.030 175.126 176.094 0.103 0.000 1.061 583 V CA -0.837 61.559 62.300 0.160 0.000 0.872 583 V CB 1.124 33.022 31.823 0.126 0.000 1.077 583 V HN 0.875 nan 8.190 nan 0.000 0.480 584 P HA 0.025 nan 4.420 nan 0.000 0.225 584 P C 0.041 177.349 177.300 0.013 0.000 1.156 584 P CA 0.689 63.774 63.100 -0.025 0.000 0.787 584 P CB 0.538 32.199 31.700 -0.065 0.000 0.802 585 D N 0.465 120.911 120.400 0.077 0.000 2.460 585 D HA 0.240 4.874 4.640 -0.009 0.000 0.232 585 D C -0.295 176.078 176.300 0.121 0.000 1.079 585 D CA 0.073 54.114 54.000 0.069 0.000 0.864 585 D CB 1.167 42.005 40.800 0.062 0.000 1.048 585 D HN 0.209 nan 8.370 nan 0.000 0.523 586 H N 1.521 120.575 119.070 -0.026 0.000 3.046 586 H HA 0.020 4.571 4.556 -0.009 0.000 0.361 586 H C -0.093 175.214 175.328 -0.035 0.000 1.235 586 H CA -0.628 55.406 56.048 -0.023 0.000 1.146 586 H CB 1.622 31.341 29.762 -0.072 0.000 1.859 586 H HN 0.213 nan 8.280 nan 0.000 0.548 587 F N 3.429 123.114 119.950 -0.442 0.000 2.087 587 F HA -0.216 4.306 4.527 -0.009 0.000 0.299 587 F C 1.903 177.637 175.800 -0.111 0.000 1.100 587 F CA 2.171 60.015 58.000 -0.261 0.000 1.226 587 F CB -0.186 38.661 39.000 -0.255 0.000 0.983 587 F HN 0.569 nan 8.300 nan 0.000 0.479 588 I N -0.201 120.510 120.570 0.235 0.000 2.286 588 I HA -0.270 3.895 4.170 -0.009 0.000 0.248 588 I C 1.915 177.968 176.117 -0.107 0.000 1.115 588 I CA 1.826 63.146 61.300 0.033 0.000 1.392 588 I CB -0.603 37.413 38.000 0.026 0.000 1.065 588 I HN 0.296 nan 8.210 nan 0.000 0.418 589 T N -1.839 112.679 114.554 -0.061 0.000 3.163 589 T HA 0.369 4.714 4.350 -0.009 0.000 0.252 589 T C 1.628 176.247 174.700 -0.135 0.000 1.056 589 T CA 0.316 62.357 62.100 -0.099 0.000 0.947 589 T CB 0.293 69.120 68.868 -0.068 0.000 1.016 589 T HN 0.239 nan 8.240 nan 0.000 0.554 590 A N 2.275 124.973 122.820 -0.202 0.000 1.978 590 A HA -0.109 4.205 4.320 -0.009 0.000 0.220 590 A C 1.978 179.460 177.584 -0.171 0.000 1.170 590 A CA 1.453 53.368 52.037 -0.203 0.000 0.636 590 A CB -0.422 18.392 19.000 -0.311 0.000 0.810 590 A HN 0.449 nan 8.150 nan 0.000 0.448 591 D N -0.746 119.544 120.400 -0.184 0.000 2.349 591 D HA 0.160 4.795 4.640 -0.009 0.000 0.214 591 D C -0.044 176.185 176.300 -0.118 0.000 1.063 591 D CA 0.088 54.005 54.000 -0.138 0.000 0.847 591 D CB 0.282 41.002 40.800 -0.134 0.000 0.933 591 D HN 0.141 nan 8.370 nan 0.000 0.513 592 V N 3.387 123.226 119.914 -0.124 0.000 2.446 592 V HA 0.084 4.199 4.120 -0.009 0.000 0.276 592 V C -1.907 174.127 176.094 -0.101 0.000 1.030 592 V CA -1.214 61.014 62.300 -0.121 0.000 1.033 592 V CB 0.372 32.117 31.823 -0.130 0.000 0.993 592 V HN -0.049 nan 8.190 nan 0.000 0.477 593 P HA 0.029 nan 4.420 nan 0.000 0.261 593 P C 0.817 178.075 177.300 -0.071 0.000 1.183 593 P CA 0.082 63.138 63.100 -0.073 0.000 0.761 593 P CB 0.546 32.206 31.700 -0.068 0.000 0.785 594 V N 0.665 120.544 119.914 -0.058 0.000 2.259 594 V HA -0.105 4.010 4.120 -0.009 0.000 0.229 594 V C 0.717 176.782 176.094 -0.049 0.000 1.012 594 V CA 1.557 63.825 62.300 -0.054 0.000 0.995 594 V CB -1.133 30.668 31.823 -0.036 0.000 0.645 594 V HN 0.653 nan 8.190 nan 0.000 0.468 595 D N -0.912 119.469 120.400 -0.031 0.000 3.439 595 D HA -0.061 4.574 4.640 -0.009 0.000 0.218 595 D C -1.741 174.556 176.300 -0.006 0.000 1.022 595 D CA 0.445 54.433 54.000 -0.021 0.000 0.994 595 D CB -0.952 39.831 40.800 -0.029 0.000 0.858 595 D HN 0.383 nan 8.370 nan 0.000 0.403 596 P HA -0.132 nan 4.420 nan 0.000 0.215 596 P C 1.341 178.658 177.300 0.029 0.000 1.157 596 P CA 2.247 65.358 63.100 0.017 0.000 0.874 596 P CB 0.145 31.853 31.700 0.014 0.000 0.790 597 A N -0.641 122.193 122.820 0.022 0.000 2.067 597 A HA 0.014 4.328 4.320 -0.009 0.000 0.219 597 A C 2.240 179.847 177.584 0.039 0.000 1.158 597 A CA 1.703 53.757 52.037 0.027 0.000 0.661 597 A CB -1.332 17.679 19.000 0.018 0.000 0.801 597 A HN 0.207 nan 8.150 nan 0.000 0.452 598 A N -0.177 122.663 122.820 0.034 0.000 1.898 598 A HA -0.050 4.264 4.320 -0.009 0.000 0.214 598 A C 2.211 179.849 177.584 0.091 0.000 1.183 598 A CA 1.422 53.486 52.037 0.044 0.000 0.622 598 A CB -0.417 18.589 19.000 0.010 0.000 0.824 598 A HN 0.519 nan 8.150 nan 0.000 0.444 599 R N -0.113 120.435 120.500 0.080 0.000 2.075 599 R HA -0.158 4.176 4.340 -0.009 0.000 0.232 599 R C 2.186 178.644 176.300 0.262 0.000 1.126 599 R CA 1.699 57.895 56.100 0.161 0.000 0.963 599 R CB -0.305 30.049 30.300 0.091 0.000 0.858 599 R HN 0.699 nan 8.270 nan 0.000 0.435 600 E N -0.095 120.192 120.200 0.144 0.000 2.070 600 E HA -0.244 4.101 4.350 -0.009 0.000 0.197 600 E C 1.738 178.389 176.600 0.085 0.000 1.004 600 E CA 1.505 57.965 56.400 0.100 0.000 0.805 600 E CB -0.158 29.576 29.700 0.056 0.000 0.744 600 E HN 0.489 nan 8.360 nan 0.000 0.451 601 A N 0.531 123.406 122.820 0.091 0.000 1.933 601 A HA -0.189 4.125 4.320 -0.009 0.000 0.218 601 A C 1.869 179.503 177.584 0.083 0.000 1.175 601 A CA 1.410 53.486 52.037 0.065 0.000 0.628 601 A CB -1.170 17.867 19.000 0.062 0.000 0.814 601 A HN 0.712 nan 8.150 nan 0.000 0.444 602 W N 1.015 122.283 121.300 -0.054 0.000 2.358 602 W HA -0.151 4.504 4.660 -0.008 0.000 0.303 602 W C 1.820 178.261 176.519 -0.130 0.000 1.208 602 W CA 1.878 59.173 57.345 -0.084 0.000 1.274 602 W CB -0.147 29.278 29.460 -0.058 0.000 1.138 602 W HN 0.453 nan 8.180 nan 0.000 0.515 603 E N -0.251 119.823 120.200 -0.209 0.000 2.106 603 E HA -0.262 4.083 4.350 -0.009 0.000 0.192 603 E C 2.233 178.612 176.600 -0.369 0.000 0.984 603 E CA 1.331 57.435 56.400 -0.493 0.000 0.806 603 E CB -0.290 29.322 29.700 -0.147 0.000 0.750 603 E HN 0.298 nan 8.360 nan 0.000 0.458 604 Q N 0.026 119.707 119.800 -0.198 0.000 2.083 604 Q HA -0.045 4.290 4.340 -0.009 0.000 0.198 604 Q C 2.171 178.062 176.000 -0.182 0.000 0.969 604 Q CA 1.325 57.039 55.803 -0.150 0.000 0.838 604 Q CB -0.281 28.412 28.738 -0.076 0.000 0.900 604 Q HN 0.256 nan 8.270 nan 0.000 0.436 605 A N 0.345 123.043 122.820 -0.203 0.000 2.015 605 A HA 0.211 4.525 4.320 -0.009 0.000 0.219 605 A C 1.306 178.722 177.584 -0.280 0.000 1.163 605 A CA 1.453 53.376 52.037 -0.190 0.000 0.646 605 A CB -0.731 18.187 19.000 -0.137 0.000 0.806 605 A HN 0.441 nan 8.150 nan 0.000 0.448 606 G N -1.836 106.667 108.800 -0.495 0.000 2.569 606 G HA2 -0.225 3.730 3.960 -0.009 0.000 0.259 606 G HA3 -0.225 3.730 3.960 -0.009 0.000 0.259 606 G C -0.285 174.231 174.900 -0.640 0.000 1.263 606 G CA 0.335 45.044 45.100 -0.651 0.000 0.928 606 G HN 0.680 nan 8.290 nan 0.000 0.572 607 Y N 0.446 120.660 120.300 -0.144 0.000 2.468 607 Y HA 0.669 5.216 4.550 -0.005 0.000 0.342 607 Y C 1.242 177.103 175.900 -0.064 0.000 1.021 607 Y CA -0.921 57.124 58.100 -0.090 0.000 1.079 607 Y CB 1.234 39.660 38.460 -0.056 0.000 1.226 607 Y HN 0.625 nan 8.280 nan 0.000 0.460 608 R N 1.689 122.253 120.500 0.106 0.000 2.585 608 R HA 0.157 4.492 4.340 -0.009 0.000 0.275 608 R C -0.888 175.449 176.300 0.063 0.000 1.018 608 R CA -0.179 55.944 56.100 0.039 0.000 1.072 608 R CB 0.120 30.411 30.300 -0.015 0.000 0.953 608 R HN 0.442 nan 8.270 nan 0.000 0.419 609 I N 5.083 125.679 120.570 0.043 0.000 2.575 609 I HA 0.084 4.249 4.170 -0.009 0.000 0.285 609 I C -1.783 174.374 176.117 0.066 0.000 1.085 609 I CA -2.095 59.236 61.300 0.050 0.000 1.403 609 I CB 0.306 38.323 38.000 0.028 0.000 1.409 609 I HN 0.404 nan 8.210 nan 0.000 0.557 610 P HA 0.123 nan 4.420 nan 0.000 0.264 610 P C -0.885 176.469 177.300 0.090 0.000 1.183 610 P CA 0.114 63.315 63.100 0.169 0.000 0.763 610 P CB 0.386 32.222 31.700 0.225 0.000 0.807 611 L N 1.762 123.022 121.223 0.063 0.000 2.455 611 L HA 0.306 4.641 4.340 -0.009 0.000 0.264 611 L C 0.040 176.918 176.870 0.014 0.000 0.968 611 L CA -0.925 53.930 54.840 0.025 0.000 0.827 611 L CB 2.276 44.335 42.059 0.001 0.000 1.317 611 L HN 0.281 nan 8.230 nan 0.000 0.407 612 S N 2.265 117.973 115.700 0.014 0.000 2.626 612 S HA 0.203 4.668 4.470 -0.009 0.000 0.303 612 S C 1.224 175.813 174.600 -0.018 0.000 1.256 612 S CA 1.319 59.522 58.200 0.005 0.000 1.069 612 S CB 0.099 63.301 63.200 0.004 0.000 0.807 612 S HN 1.219 nan 8.310 nan 0.000 0.500 613 G N 3.146 111.927 108.800 -0.032 0.000 2.189 613 G HA2 -0.277 3.677 3.960 -0.009 0.000 0.267 613 G HA3 -0.277 3.677 3.960 -0.009 0.000 0.267 613 G C 0.597 175.449 174.900 -0.081 0.000 0.975 613 G CA 0.413 45.480 45.100 -0.054 0.000 0.644 613 G HN 0.983 nan 8.290 nan 0.000 0.537 614 C N 0.419 119.666 119.300 -0.090 0.000 3.385 614 C HA 0.652 5.107 4.460 -0.009 0.000 0.288 614 C C 2.114 176.999 174.990 -0.175 0.000 1.429 614 C CA -0.008 58.943 59.018 -0.112 0.000 1.778 614 C CB -0.682 27.012 27.740 -0.076 0.000 2.503 614 C HN 1.918 nan 8.230 nan 0.000 0.646 615 G N 1.448 110.091 108.800 -0.262 0.000 2.594 615 G HA2 0.248 4.202 3.960 -0.009 0.000 0.297 615 G HA3 0.248 4.202 3.960 -0.009 0.000 0.297 615 G C 0.046 174.795 174.900 -0.251 0.000 1.273 615 G CA 0.279 45.049 45.100 -0.549 0.000 0.974 615 G HN 1.561 nan 8.290 nan 0.000 0.552 616 G N -3.810 104.887 108.800 -0.171 0.000 2.368 616 G HA2 0.677 4.632 3.960 -0.009 0.000 0.293 616 G HA3 0.677 4.632 3.960 -0.009 0.000 0.293 616 G C 0.960 175.936 174.900 0.127 0.000 1.467 616 G CA 1.162 46.314 45.100 0.087 0.000 0.804 616 G HN 2.677 nan 8.290 nan 0.000 0.535 617 G N -1.164 107.686 108.800 0.083 0.000 2.176 617 G HA2 -0.178 3.777 3.960 -0.009 0.000 0.253 617 G HA3 -0.178 3.777 3.960 -0.009 0.000 0.253 617 G C 0.344 175.267 174.900 0.037 0.000 0.979 617 G CA 0.996 46.126 45.100 0.049 0.000 0.641 617 G HN 1.017 nan 8.290 nan 0.000 0.530 618 Q N 1.502 121.209 119.800 -0.154 0.000 2.332 618 Q HA 0.523 4.858 4.340 -0.009 0.000 0.263 618 Q C 0.862 176.930 176.000 0.113 0.000 0.979 618 Q CA 0.508 56.159 55.803 -0.253 0.000 0.885 618 Q CB 1.118 29.506 28.738 -0.583 0.000 1.218 618 Q HN 0.733 nan 8.270 nan 0.000 0.405 619 S N 1.650 117.503 115.700 0.255 0.000 2.562 619 S HA 0.145 4.610 4.470 -0.009 0.000 0.281 619 S C 0.732 175.346 174.600 0.024 0.000 1.333 619 S CA -0.449 57.829 58.200 0.129 0.000 1.052 619 S CB 0.397 63.744 63.200 0.246 0.000 0.884 619 S HN 0.639 nan 8.310 nan 0.000 0.506 620 I N 1.213 121.745 120.570 -0.063 0.000 2.500 620 I HA 0.049 4.214 4.170 -0.009 0.000 0.252 620 I C 1.193 177.308 176.117 -0.004 0.000 1.142 620 I CA 0.896 62.170 61.300 -0.042 0.000 1.451 620 I CB -0.051 37.907 38.000 -0.071 0.000 1.093 620 I HN 0.588 nan 8.210 nan 0.000 0.430 621 K N 1.115 121.528 120.400 0.021 0.000 2.267 621 K HA 0.402 4.716 4.320 -0.009 0.000 0.246 621 K C -2.488 174.241 176.600 0.214 0.000 0.954 621 K CA -1.889 54.453 56.287 0.092 0.000 0.824 621 K CB 1.783 34.331 32.500 0.080 0.000 1.167 621 K HN -0.241 nan 8.250 nan 0.000 0.431 622 P HA 0.034 nan 4.420 nan 0.000 0.278 622 P C 0.070 177.424 177.300 0.091 0.000 1.238 622 P CA -0.420 62.765 63.100 0.141 0.000 0.794 622 P CB 0.921 32.669 31.700 0.079 0.000 0.955 623 L N 2.926 124.072 121.223 -0.127 0.000 2.095 623 L HA 0.188 4.523 4.340 -0.009 0.000 0.204 623 L C 1.277 178.028 176.870 -0.197 0.000 1.080 623 L CA 2.481 57.059 54.840 -0.438 0.000 0.759 623 L CB -1.454 40.012 42.059 -0.989 0.000 0.914 623 L HN 0.824 nan 8.230 nan 0.000 0.439 624 G N -1.238 107.503 108.800 -0.098 0.000 2.645 624 G HA2 0.119 4.074 3.960 -0.009 0.000 0.239 624 G HA3 0.119 4.074 3.960 -0.009 0.000 0.239 624 G C 0.891 175.749 174.900 -0.070 0.000 1.331 624 G CA -0.008 45.070 45.100 -0.037 0.000 0.890 624 G HN 1.469 nan 8.290 nan 0.000 0.572 625 G N -2.159 106.597 108.800 -0.074 0.000 2.194 625 G HA2 -0.063 3.892 3.960 -0.009 0.000 0.236 625 G HA3 -0.063 3.892 3.960 -0.009 0.000 0.236 625 G C 0.297 175.103 174.900 -0.157 0.000 0.987 625 G CA 0.865 45.901 45.100 -0.105 0.000 0.635 625 G HN 1.668 nan 8.290 nan 0.000 0.520 626 I N 0.856 121.304 120.570 -0.203 0.000 2.582 626 I HA 0.377 4.542 4.170 -0.009 0.000 0.292 626 I C -1.239 174.591 176.117 -0.478 0.000 1.066 626 I CA -0.940 60.101 61.300 -0.432 0.000 1.053 626 I CB 2.121 39.680 38.000 -0.735 0.000 1.241 626 I HN 0.019 nan 8.210 nan 0.000 0.421 627 D N 5.153 125.287 120.400 -0.443 0.000 2.380 627 D HA 0.262 4.896 4.640 -0.009 0.000 0.230 627 D C -0.055 176.029 176.300 -0.360 0.000 1.154 627 D CA -0.019 53.817 54.000 -0.275 0.000 0.859 627 D CB 0.484 41.197 40.800 -0.145 0.000 1.045 627 D HN 0.262 nan 8.370 nan 0.000 0.495 628 F N 2.339 122.246 119.950 -0.072 0.000 2.693 628 F HA 0.314 4.835 4.527 -0.010 0.000 0.303 628 F C 1.923 177.622 175.800 -0.169 0.000 1.097 628 F CA 0.386 58.316 58.000 -0.116 0.000 1.330 628 F CB 0.067 39.014 39.000 -0.089 0.000 1.067 628 F HN 0.610 nan 8.300 nan 0.000 0.565 629 G N 0.229 109.029 108.800 -0.001 0.000 2.528 629 G HA2 -0.250 3.704 3.960 -0.009 0.000 0.262 629 G HA3 -0.250 3.704 3.960 -0.009 0.000 0.262 629 G C -0.177 174.693 174.900 -0.050 0.000 1.200 629 G CA -0.624 44.395 45.100 -0.134 0.000 0.951 629 G HN 0.105 nan 8.290 nan 0.000 0.566 630 E N 2.769 122.875 120.200 -0.158 0.000 2.376 630 E HA 0.303 4.647 4.350 -0.009 0.000 0.266 630 E C -1.634 174.965 176.600 -0.001 0.000 1.009 630 E CA -0.768 55.614 56.400 -0.029 0.000 0.902 630 E CB 0.873 30.547 29.700 -0.042 0.000 0.972 630 E HN 0.409 nan 8.360 nan 0.000 0.439 631 P HA 0.091 nan 4.420 nan 0.000 0.275 631 P C -0.444 176.917 177.300 0.102 0.000 1.228 631 P CA -0.317 62.825 63.100 0.071 0.000 0.786 631 P CB 0.752 32.499 31.700 0.078 0.000 0.927 632 V N 4.275 124.268 119.914 0.132 0.000 2.318 632 V HA 0.179 4.294 4.120 -0.009 0.000 0.271 632 V C 0.735 176.917 176.094 0.146 0.000 1.030 632 V CA -0.614 61.801 62.300 0.192 0.000 0.844 632 V CB 0.507 32.519 31.823 0.316 0.000 1.015 632 V HN 0.401 nan 8.190 nan 0.000 0.460 633 L N 5.542 126.835 121.223 0.117 0.000 2.416 633 L HA 0.320 4.655 4.340 -0.009 0.000 0.272 633 L C 0.967 177.857 176.870 0.032 0.000 1.161 633 L CA -0.114 54.773 54.840 0.079 0.000 0.845 633 L CB 0.137 42.247 42.059 0.086 0.000 1.119 633 L HN 0.769 nan 8.230 nan 0.000 0.464 634 N N -0.091 118.628 118.700 0.033 0.000 2.776 634 N HA -0.147 4.588 4.740 -0.009 0.000 0.250 634 N C 0.154 175.686 175.510 0.037 0.000 1.112 634 N CA 1.096 54.151 53.050 0.009 0.000 0.733 634 N CB -1.616 36.794 38.487 -0.129 0.000 1.097 634 N HN 0.888 nan 8.380 nan 0.000 0.558 635 T N -0.853 113.713 114.554 0.019 0.000 2.926 635 T HA 0.403 4.747 4.350 -0.009 0.000 0.307 635 T C 0.160 174.842 174.700 -0.029 0.000 1.059 635 T CA -0.165 61.869 62.100 -0.110 0.000 1.122 635 T CB 0.972 69.745 68.868 -0.158 0.000 0.972 635 T HN 0.360 nan 8.240 nan 0.000 0.545 636 Y N -0.718 119.391 120.300 -0.319 0.000 2.609 636 Y HA 0.727 5.271 4.550 -0.009 0.000 0.336 636 Y C -3.294 172.295 175.900 -0.518 0.000 1.129 636 Y CA -3.308 54.499 58.100 -0.489 0.000 1.040 636 Y CB 0.701 38.956 38.460 -0.341 0.000 1.310 636 Y HN 0.463 nan 8.280 nan 0.000 0.460 637 P HA 0.105 nan 4.420 nan 0.000 0.285 637 P C 0.773 177.944 177.300 -0.214 0.000 1.259 637 P CA -0.329 62.529 63.100 -0.404 0.000 0.794 637 P CB 2.198 33.685 31.700 -0.355 0.000 0.940 638 V N 0.363 120.149 119.914 -0.215 0.000 2.809 638 V HA -0.056 4.059 4.120 -0.009 0.000 0.256 638 V C 0.428 176.531 176.094 0.015 0.000 1.080 638 V CA 1.407 63.663 62.300 -0.073 0.000 1.102 638 V CB -1.635 30.130 31.823 -0.097 0.000 0.705 638 V HN 0.716 nan 8.190 nan 0.000 0.475 639 N N -1.659 117.037 118.700 -0.006 0.000 2.934 639 N HA 0.278 5.013 4.740 -0.009 0.000 0.253 639 N C -0.240 175.277 175.510 0.011 0.000 1.466 639 N CA -0.520 52.544 53.050 0.023 0.000 0.858 639 N CB 0.818 39.321 38.487 0.027 0.000 1.459 639 N HN 0.023 nan 8.380 nan 0.000 0.532 640 E N -0.986 119.231 120.200 0.028 0.000 2.502 640 E HA 0.089 4.434 4.350 -0.009 0.000 0.194 640 E C -0.067 176.542 176.600 0.016 0.000 1.062 640 E CA 0.337 56.750 56.400 0.022 0.000 0.867 640 E CB -0.448 29.269 29.700 0.028 0.000 0.888 640 E HN 0.515 nan 8.360 nan 0.000 0.510 641 N N -0.266 118.445 118.700 0.018 0.000 2.353 641 N HA 0.007 4.742 4.740 -0.009 0.000 0.185 641 N C -0.257 175.273 175.510 0.033 0.000 1.098 641 N CA -0.231 52.835 53.050 0.027 0.000 0.872 641 N CB 0.752 39.258 38.487 0.030 0.000 0.970 641 N HN -0.116 nan 8.380 nan 0.000 0.467 642 V N 1.573 121.497 119.914 0.016 0.000 2.655 642 V HA -0.002 4.112 4.120 -0.009 0.000 0.300 642 V C 0.588 176.689 176.094 0.012 0.000 1.044 642 V CA 0.173 62.479 62.300 0.011 0.000 1.095 642 V CB 1.084 32.887 31.823 -0.033 0.000 0.952 642 V HN 0.144 nan 8.190 nan 0.000 0.485 643 T N 6.975 121.542 114.554 0.021 0.000 2.723 643 T HA 0.408 4.753 4.350 -0.009 0.000 0.297 643 T C -0.018 174.663 174.700 -0.032 0.000 0.925 643 T CA -0.220 61.883 62.100 0.005 0.000 1.030 643 T CB -0.032 68.838 68.868 0.004 0.000 0.905 643 T HN 0.359 nan 8.240 nan 0.000 0.502 644 L N 4.851 126.070 121.223 -0.007 0.000 2.313 644 L HA 0.308 4.643 4.340 -0.009 0.000 0.282 644 L C 1.099 177.964 176.870 -0.009 0.000 1.092 644 L CA -0.290 54.553 54.840 0.005 0.000 0.831 644 L CB 0.693 42.792 42.059 0.068 0.000 1.159 644 L HN 0.638 nan 8.230 nan 0.000 0.442 645 L N 2.671 123.862 121.223 -0.052 0.000 2.500 645 L HA 0.250 4.585 4.340 -0.009 0.000 0.219 645 L C 0.418 177.276 176.870 -0.021 0.000 1.057 645 L CA 0.227 55.019 54.840 -0.079 0.000 0.854 645 L CB 0.090 42.048 42.059 -0.169 0.000 1.078 645 L HN 0.538 nan 8.230 nan 0.000 0.480 646 R N 0.496 120.996 120.500 -0.000 0.000 2.510 646 R HA 0.615 4.950 4.340 -0.009 0.000 0.287 646 R C -1.190 175.115 176.300 0.009 0.000 1.084 646 R CA -0.232 55.877 56.100 0.015 0.000 0.934 646 R CB 1.871 32.218 30.300 0.078 0.000 1.201 646 R HN -0.072 nan 8.270 nan 0.000 0.431 647 A N 2.802 125.682 122.820 0.100 0.000 3.453 647 A HA 0.312 4.627 4.320 -0.009 0.000 0.262 647 A C -0.891 176.807 177.584 0.190 0.000 1.026 647 A CA -0.667 51.478 52.037 0.180 0.000 0.938 647 A CB 0.266 19.462 19.000 0.326 0.000 1.246 647 A HN 0.414 nan 8.150 nan 0.000 0.546 648 D N -0.020 120.451 120.400 0.118 0.000 2.253 648 D HA 0.518 5.153 4.640 -0.009 0.000 0.249 648 D C 1.217 177.570 176.300 0.087 0.000 1.049 648 D CA 1.159 55.227 54.000 0.112 0.000 0.929 648 D CB 1.490 42.346 40.800 0.093 0.000 1.176 648 D HN 0.956 nan 8.370 nan 0.000 0.437 649 G N 0.632 109.473 108.800 0.068 0.000 2.221 649 G HA2 -0.094 3.860 3.960 -0.009 0.000 0.265 649 G HA3 -0.094 3.860 3.960 -0.009 0.000 0.265 649 G C 0.956 175.869 174.900 0.021 0.000 1.041 649 G CA 0.585 45.711 45.100 0.043 0.000 0.807 649 G HN 1.230 nan 8.290 nan 0.000 0.502 650 G N -1.575 107.214 108.800 -0.018 0.000 2.160 650 G HA2 0.060 4.015 3.960 -0.009 0.000 0.251 650 G HA3 0.060 4.015 3.960 -0.009 0.000 0.251 650 G C 0.250 175.168 174.900 0.030 0.000 1.008 650 G CA 1.624 46.657 45.100 -0.112 0.000 0.724 650 G HN 2.122 nan 8.290 nan 0.000 0.514 651 Q N -2.364 117.543 119.800 0.179 0.000 2.814 651 Q HA 0.732 5.066 4.340 -0.009 0.000 0.322 651 Q C -1.309 174.854 176.000 0.273 0.000 0.861 651 Q CA -1.119 54.860 55.803 0.294 0.000 0.773 651 Q CB 1.756 30.585 28.738 0.151 0.000 1.423 651 Q HN 0.449 nan 8.270 nan 0.000 0.495 652 V N 1.381 121.388 119.914 0.155 0.000 2.459 652 V HA 0.173 4.288 4.120 -0.009 0.000 0.295 652 V C -0.354 175.764 176.094 0.039 0.000 1.029 652 V CA -0.297 62.047 62.300 0.073 0.000 0.874 652 V CB 1.372 33.168 31.823 -0.046 0.000 0.985 652 V HN 0.786 nan 8.190 nan 0.000 0.438 653 Q N 3.085 122.791 119.800 -0.156 0.000 2.423 653 Q HA 0.410 4.745 4.340 -0.009 0.000 0.231 653 Q C -0.301 175.383 176.000 -0.526 0.000 0.894 653 Q CA 0.307 55.773 55.803 -0.562 0.000 0.938 653 Q CB 0.766 28.650 28.738 -1.423 0.000 1.079 653 Q HN 0.558 nan 8.270 nan 0.000 0.552 654 L N -0.128 120.944 121.223 -0.251 0.000 2.505 654 L HA 0.810 5.145 4.340 -0.009 0.000 0.266 654 L C -2.026 174.834 176.870 -0.017 0.000 0.954 654 L CA -0.550 54.228 54.840 -0.103 0.000 0.852 654 L CB 1.838 43.886 42.059 -0.017 0.000 1.282 654 L HN -0.016 nan 8.230 nan 0.000 0.403 655 A N 2.392 125.229 122.820 0.029 0.000 2.606 655 A HA 0.872 5.187 4.320 -0.009 0.000 0.293 655 A C -1.162 176.430 177.584 0.013 0.000 1.082 655 A CA -0.311 51.732 52.037 0.009 0.000 0.685 655 A CB 2.033 21.051 19.000 0.030 0.000 1.284 655 A HN 0.625 nan 8.150 nan 0.000 0.408 656 T N 0.235 114.783 114.554 -0.009 0.000 2.912 656 T HA 0.640 4.984 4.350 -0.009 0.000 0.299 656 T C -1.512 173.240 174.700 0.087 0.000 1.052 656 T CA -0.466 61.665 62.100 0.052 0.000 0.996 656 T CB 1.137 70.032 68.868 0.045 0.000 1.070 656 T HN 0.911 nan 8.240 nan 0.000 0.465 657 N N 2.587 121.360 118.700 0.122 0.000 2.310 657 N HA 0.411 5.146 4.740 -0.009 0.000 0.292 657 N C -1.688 173.916 175.510 0.157 0.000 1.049 657 N CA -0.542 52.582 53.050 0.124 0.000 0.849 657 N CB 1.594 40.143 38.487 0.104 0.000 1.532 657 N HN 0.451 nan 8.380 nan 0.000 0.479 658 D N 1.586 122.078 120.400 0.153 0.000 2.350 658 D HA 0.131 4.766 4.640 -0.009 0.000 0.249 658 D C -0.998 175.425 176.300 0.205 0.000 1.119 658 D CA 0.698 54.793 54.000 0.157 0.000 0.886 658 D CB 0.496 41.370 40.800 0.125 0.000 1.195 658 D HN 0.449 nan 8.370 nan 0.000 0.437 659 Y N 1.756 122.081 120.300 0.043 0.000 2.541 659 Y HA 0.400 4.944 4.550 -0.009 0.000 0.350 659 Y C 0.809 176.712 175.900 0.006 0.000 1.075 659 Y CA 0.112 58.226 58.100 0.024 0.000 1.302 659 Y CB 0.513 38.989 38.460 0.026 0.000 1.094 659 Y HN 0.642 nan 8.280 nan 0.000 0.579 660 G N 3.981 112.702 108.800 -0.132 0.000 2.591 660 G HA2 -0.402 3.553 3.960 -0.009 0.000 0.298 660 G HA3 -0.402 3.553 3.960 -0.009 0.000 0.298 660 G C 0.948 175.831 174.900 -0.029 0.000 1.195 660 G CA 0.729 45.766 45.100 -0.105 0.000 0.989 660 G HN 0.592 nan 8.290 nan 0.000 0.551 661 K N 1.474 121.848 120.400 -0.044 0.000 2.418 661 K HA 0.268 4.582 4.320 -0.009 0.000 0.195 661 K C 1.551 178.150 176.600 -0.002 0.000 1.035 661 K CA 0.575 56.817 56.287 -0.075 0.000 1.003 661 K CB 0.130 32.557 32.500 -0.122 0.000 0.793 661 K HN 0.646 nan 8.250 nan 0.000 0.494 662 G N 0.654 109.486 108.800 0.054 0.000 2.753 662 G HA2 0.547 4.502 3.960 -0.009 0.000 0.285 662 G HA3 0.547 4.502 3.960 -0.009 0.000 0.285 662 G C -0.890 174.089 174.900 0.131 0.000 1.344 662 G CA -0.636 44.506 45.100 0.070 0.000 1.050 662 G HN 0.030 nan 8.290 nan 0.000 0.532 663 R N -1.728 118.813 120.500 0.069 0.000 2.651 663 R HA 0.543 4.877 4.340 -0.009 0.000 0.278 663 R C -0.538 175.826 176.300 0.107 0.000 1.010 663 R CA -0.675 55.472 56.100 0.078 0.000 0.896 663 R CB 2.419 32.701 30.300 -0.031 0.000 1.211 663 R HN 0.760 nan 8.270 nan 0.000 0.456 664 G N 0.870 109.746 108.800 0.126 0.000 2.432 664 G HA2 0.595 4.549 3.960 -0.009 0.000 0.331 664 G HA3 0.595 4.549 3.960 -0.009 0.000 0.331 664 G C -1.159 173.826 174.900 0.142 0.000 1.170 664 G CA -0.400 44.793 45.100 0.156 0.000 0.943 664 G HN 0.268 nan 8.290 nan 0.000 0.483 665 V N 1.252 121.241 119.914 0.126 0.000 2.638 665 V HA 0.367 4.482 4.120 -0.009 0.000 0.306 665 V C -1.320 174.832 176.094 0.097 0.000 1.052 665 V CA -0.877 61.480 62.300 0.096 0.000 0.885 665 V CB 1.661 33.522 31.823 0.063 0.000 0.999 665 V HN 0.740 nan 8.190 nan 0.000 0.424 666 Y N 5.605 125.897 120.300 -0.013 0.000 2.330 666 Y HA 0.765 5.309 4.550 -0.010 0.000 0.336 666 Y C -0.445 175.429 175.900 -0.043 0.000 1.036 666 Y CA -0.805 57.278 58.100 -0.029 0.000 1.125 666 Y CB 1.268 39.723 38.460 -0.009 0.000 1.194 666 Y HN 0.545 nan 8.280 nan 0.000 0.469 667 I N 5.495 125.570 120.570 -0.825 0.000 2.466 667 I HA 0.194 4.359 4.170 -0.009 0.000 0.289 667 I C 0.791 176.310 176.117 -0.996 0.000 1.026 667 I CA -0.526 60.385 61.300 -0.649 0.000 1.078 667 I CB 2.287 40.139 38.000 -0.246 0.000 1.249 667 I HN 0.765 nan 8.210 nan 0.000 0.429 668 S N 3.634 118.892 115.700 -0.737 0.000 2.402 668 S HA 0.162 4.626 4.470 -0.009 0.000 0.229 668 S C 0.826 175.308 174.600 -0.195 0.000 1.021 668 S CA 0.615 58.604 58.200 -0.352 0.000 0.974 668 S CB 0.023 63.175 63.200 -0.079 0.000 0.800 668 S HN 0.931 nan 8.310 nan 0.000 0.484 669 G N -0.392 108.314 108.800 -0.158 0.000 2.547 669 G HA2 0.538 4.493 3.960 -0.009 0.000 0.291 669 G HA3 0.538 4.493 3.960 -0.009 0.000 0.291 669 G C -2.076 172.755 174.900 -0.114 0.000 1.471 669 G CA -0.759 44.199 45.100 -0.236 0.000 0.798 669 G HN 0.547 nan 8.290 nan 0.000 0.504 670 L N 1.001 122.086 121.223 -0.230 0.000 2.420 670 L HA 0.440 4.774 4.340 -0.009 0.000 0.260 670 L C -2.594 174.179 176.870 -0.161 0.000 1.508 670 L CA -1.012 53.736 54.840 -0.153 0.000 0.835 670 L CB 1.863 43.863 42.059 -0.097 0.000 1.018 670 L HN 0.272 nan 8.230 nan 0.000 0.520 671 P HA -0.053 nan 4.420 nan 0.000 0.265 671 P C -1.161 176.159 177.300 0.035 0.000 1.187 671 P CA 0.299 63.376 63.100 -0.038 0.000 0.766 671 P CB 0.142 31.870 31.700 0.046 0.000 0.820 672 Y N 3.685 124.003 120.300 0.030 0.000 2.526 672 Y HA 0.313 4.859 4.550 -0.008 0.000 0.330 672 Y C 0.375 176.278 175.900 0.005 0.000 1.156 672 Y CA 0.944 59.050 58.100 0.011 0.000 1.419 672 Y CB 0.217 38.697 38.460 0.034 0.000 1.250 672 Y HN 0.531 nan 8.280 nan 0.000 0.540 673 S N 3.072 118.167 115.700 -1.008 0.000 2.615 673 S HA 0.628 5.093 4.470 -0.009 0.000 0.268 673 S C 0.177 174.236 174.600 -0.902 0.000 1.146 673 S CA -0.626 57.021 58.200 -0.922 0.000 0.818 673 S CB 0.705 63.673 63.200 -0.387 0.000 1.111 673 S HN 1.025 nan 8.310 nan 0.000 0.465 674 A N 1.177 123.666 122.820 -0.553 0.000 1.908 674 A HA 0.232 4.546 4.320 -0.009 0.000 0.218 674 A C 2.333 179.783 177.584 -0.223 0.000 1.181 674 A CA 2.358 54.217 52.037 -0.297 0.000 0.627 674 A CB -1.662 17.244 19.000 -0.158 0.000 0.818 674 A HN 1.697 nan 8.150 nan 0.000 0.445 675 A N 0.096 122.783 122.820 -0.222 0.000 1.877 675 A HA -0.201 4.114 4.320 -0.009 0.000 0.216 675 A C 1.915 179.387 177.584 -0.187 0.000 1.186 675 A CA 1.923 53.851 52.037 -0.182 0.000 0.620 675 A CB -0.594 18.297 19.000 -0.182 0.000 0.822 675 A HN 0.533 nan 8.150 nan 0.000 0.443 676 N N 0.091 118.653 118.700 -0.229 0.000 2.331 676 N HA 0.024 4.759 4.740 -0.009 0.000 0.180 676 N C 1.772 177.211 175.510 -0.117 0.000 1.019 676 N CA 1.264 54.198 53.050 -0.194 0.000 0.881 676 N CB -0.485 37.875 38.487 -0.211 0.000 0.972 676 N HN 0.459 nan 8.380 nan 0.000 0.435 677 A N 1.042 123.790 122.820 -0.119 0.000 1.898 677 A HA -0.120 4.195 4.320 -0.009 0.000 0.216 677 A C 2.265 179.858 177.584 0.014 0.000 1.181 677 A CA 1.429 53.466 52.037 0.001 0.000 0.620 677 A CB -0.392 18.650 19.000 0.069 0.000 0.819 677 A HN 0.141 nan 8.150 nan 0.000 0.442 678 R N -0.299 120.186 120.500 -0.025 0.000 2.083 678 R HA -0.115 4.220 4.340 -0.009 0.000 0.237 678 R C 1.868 178.159 176.300 -0.015 0.000 1.137 678 R CA 1.829 57.927 56.100 -0.003 0.000 0.951 678 R CB -1.076 29.200 30.300 -0.041 0.000 0.851 678 R HN 0.411 nan 8.270 nan 0.000 0.434 679 L N 0.095 121.283 121.223 -0.058 0.000 2.012 679 L HA -0.107 4.227 4.340 -0.009 0.000 0.210 679 L C 2.110 178.982 176.870 0.003 0.000 1.073 679 L CA 1.802 56.607 54.840 -0.059 0.000 0.748 679 L CB -0.803 41.198 42.059 -0.096 0.000 0.891 679 L HN 0.388 nan 8.230 nan 0.000 0.431 680 L N -0.481 120.752 121.223 0.016 0.000 2.046 680 L HA -0.208 4.127 4.340 -0.009 0.000 0.208 680 L C 2.440 179.378 176.870 0.113 0.000 1.077 680 L CA 2.007 56.876 54.840 0.047 0.000 0.747 680 L CB -0.782 41.297 42.059 0.033 0.000 0.896 680 L HN 0.509 nan 8.230 nan 0.000 0.432 681 E N -0.583 119.708 120.200 0.153 0.000 2.051 681 E HA -0.266 4.078 4.350 -0.009 0.000 0.192 681 E C 2.325 179.184 176.600 0.432 0.000 0.991 681 E CA 1.329 57.904 56.400 0.291 0.000 0.799 681 E CB -0.045 29.837 29.700 0.303 0.000 0.748 681 E HN 0.495 nan 8.360 nan 0.000 0.449 682 R N -0.110 120.543 120.500 0.254 0.000 2.075 682 R HA -0.102 4.233 4.340 -0.009 0.000 0.232 682 R C 2.496 179.037 176.300 0.401 0.000 1.126 682 R CA 1.220 57.460 56.100 0.233 0.000 0.963 682 R CB -0.334 29.846 30.300 -0.200 0.000 0.858 682 R HN 0.101 nan 8.270 nan 0.000 0.435 683 V N 1.869 121.925 119.914 0.236 0.000 2.278 683 V HA -0.303 3.812 4.120 -0.009 0.000 0.251 683 V C 2.333 178.570 176.094 0.238 0.000 1.062 683 V CA 1.908 64.336 62.300 0.214 0.000 1.038 683 V CB -0.484 31.400 31.823 0.102 0.000 0.646 683 V HN 0.304 nan 8.190 nan 0.000 0.447 684 L N -1.689 119.656 121.223 0.203 0.000 2.017 684 L HA -0.177 4.158 4.340 -0.009 0.000 0.208 684 L C 2.422 179.326 176.870 0.056 0.000 1.073 684 L CA 1.809 56.701 54.840 0.087 0.000 0.745 684 L CB -0.661 41.402 42.059 0.006 0.000 0.894 684 L HN 0.244 nan 8.230 nan 0.000 0.432 685 F N -1.334 118.738 119.950 0.204 0.000 2.146 685 F HA -0.257 4.265 4.527 -0.009 0.000 0.298 685 F C 2.533 178.363 175.800 0.051 0.000 1.096 685 F CA 1.538 59.645 58.000 0.178 0.000 1.275 685 F CB -0.622 38.577 39.000 0.331 0.000 1.008 685 F HN -0.045 nan 8.300 nan 0.000 0.480 686 Y N 0.465 120.866 120.300 0.168 0.000 2.145 686 Y HA -0.192 4.354 4.550 -0.008 0.000 0.286 686 Y C 2.385 178.216 175.900 -0.116 0.000 1.145 686 Y CA 1.408 59.466 58.100 -0.070 0.000 1.148 686 Y CB -0.631 37.885 38.460 0.092 0.000 0.981 686 Y HN -0.026 nan 8.280 nan 0.000 0.507 687 A N -0.745 122.133 122.820 0.097 0.000 2.015 687 A HA -0.123 4.192 4.320 -0.009 0.000 0.219 687 A C 2.097 179.612 177.584 -0.115 0.000 1.163 687 A CA 1.588 53.624 52.037 -0.002 0.000 0.646 687 A CB -1.045 18.008 19.000 0.088 0.000 0.806 687 A HN 0.513 nan 8.150 nan 0.000 0.448 688 S N -1.842 113.810 115.700 -0.081 0.000 2.660 688 S HA 0.101 4.566 4.470 -0.009 0.000 0.227 688 S C 0.378 174.968 174.600 -0.017 0.000 0.948 688 S CA 0.151 58.318 58.200 -0.056 0.000 0.948 688 S CB -0.665 62.505 63.200 -0.050 0.000 0.779 688 S HN 0.566 nan 8.310 nan 0.000 0.487 689 H N 0.745 119.708 119.070 -0.179 0.000 2.713 689 H HA -0.144 4.406 4.556 -0.009 0.000 0.311 689 H C -0.471 174.777 175.328 -0.133 0.000 1.175 689 H CA 1.051 56.966 56.048 -0.221 0.000 1.143 689 H CB -2.068 27.584 29.762 -0.184 0.000 1.434 689 H HN 0.682 nan 8.280 nan 0.000 0.418 690 N N 0.063 118.766 118.700 0.005 0.000 2.389 690 N HA 0.046 4.781 4.740 -0.009 0.000 0.260 690 N C 1.031 176.656 175.510 0.191 0.000 1.191 690 N CA -0.204 52.922 53.050 0.126 0.000 0.885 690 N CB 0.559 39.149 38.487 0.172 0.000 1.162 690 N HN 0.302 nan 8.380 nan 0.000 0.512 691 E N 0.769 120.923 120.200 -0.076 0.000 2.085 691 E HA -0.231 4.114 4.350 -0.009 0.000 0.194 691 E C 1.413 178.003 176.600 -0.016 0.000 0.994 691 E CA 1.261 57.495 56.400 -0.278 0.000 0.801 691 E CB 0.003 29.322 29.700 -0.635 0.000 0.743 691 E HN 0.479 nan 8.360 nan 0.000 0.453 692 D N 0.337 120.741 120.400 0.007 0.000 2.371 692 D HA -0.148 4.487 4.640 -0.009 0.000 0.221 692 D C 1.410 177.750 176.300 0.066 0.000 0.986 692 D CA 0.692 54.712 54.000 0.035 0.000 0.899 692 D CB 0.015 40.820 40.800 0.009 0.000 0.902 692 D HN 0.090 nan 8.370 nan 0.000 0.530 693 K N -1.079 119.407 120.400 0.142 0.000 2.379 693 K HA -0.043 4.272 4.320 -0.009 0.000 0.194 693 K C 1.580 178.221 176.600 0.067 0.000 1.031 693 K CA -0.217 56.180 56.287 0.183 0.000 1.037 693 K CB -0.012 32.691 32.500 0.340 0.000 0.824 693 K HN 0.065 nan 8.250 nan 0.000 0.516 694 Y N 0.748 120.911 120.300 -0.228 0.000 2.242 694 Y HA -0.164 4.381 4.550 -0.008 0.000 0.291 694 Y C 1.886 177.562 175.900 -0.374 0.000 1.137 694 Y CA 1.547 59.226 58.100 -0.703 0.000 1.181 694 Y CB -0.190 38.022 38.460 -0.413 0.000 0.989 694 Y HN 0.073 nan 8.280 nan 0.000 0.527 695 A N 1.289 123.999 122.820 -0.183 0.000 1.908 695 A HA 0.039 4.354 4.320 -0.009 0.000 0.218 695 A C 1.622 178.972 177.584 -0.391 0.000 1.181 695 A CA 0.928 52.819 52.037 -0.243 0.000 0.627 695 A CB -1.540 17.401 19.000 -0.098 0.000 0.818 695 A HN 0.523 nan 8.150 nan 0.000 0.445 696 A N -2.011 120.586 122.820 -0.370 0.000 2.491 696 A HA 0.382 4.697 4.320 -0.009 0.000 0.261 696 A C 0.076 177.382 177.584 -0.463 0.000 1.101 696 A CA 0.188 51.885 52.037 -0.567 0.000 0.772 696 A CB -1.192 17.510 19.000 -0.497 0.000 1.043 696 A HN 0.967 nan 8.150 nan 0.000 0.501 697 W N 0.888 121.992 121.300 -0.327 0.000 4.543 697 W HA -0.218 4.437 4.660 -0.009 0.000 0.375 697 W C 0.625 176.944 176.519 -0.335 0.000 1.434 697 W CA 0.421 57.552 57.345 -0.357 0.000 0.818 697 W CB -2.075 27.207 29.460 -0.297 0.000 2.575 697 W HN 1.065 nan 8.180 nan 0.000 1.345 698 S N -0.873 114.681 115.700 -0.244 0.000 2.532 698 S HA 0.781 5.246 4.470 -0.009 0.000 0.301 698 S C -0.197 174.284 174.600 -0.198 0.000 1.083 698 S CA -0.350 57.666 58.200 -0.307 0.000 1.025 698 S CB 2.212 65.040 63.200 -0.619 0.000 1.056 698 S HN 0.416 nan 8.310 nan 0.000 0.494 699 S N 1.200 116.813 115.700 -0.145 0.000 2.508 699 S HA 0.374 4.839 4.470 -0.009 0.000 0.284 699 S C 1.291 175.859 174.600 -0.054 0.000 1.192 699 S CA -0.084 58.066 58.200 -0.082 0.000 1.070 699 S CB 0.852 64.007 63.200 -0.075 0.000 1.004 699 S HN 1.112 nan 8.310 nan 0.000 0.493 700 S N 3.976 119.662 115.700 -0.024 0.000 2.383 700 S HA -0.054 4.411 4.470 -0.009 0.000 0.227 700 S C 0.821 175.416 174.600 -0.009 0.000 1.026 700 S CA 0.395 58.590 58.200 -0.008 0.000 0.981 700 S CB -0.623 62.576 63.200 -0.000 0.000 0.818 700 S HN 0.748 nan 8.310 nan 0.000 0.472 701 N N 2.965 121.660 118.700 -0.009 0.000 2.430 701 N HA 0.288 5.023 4.740 -0.009 0.000 0.265 701 N C -2.261 173.234 175.510 -0.025 0.000 1.100 701 N CA -2.027 51.014 53.050 -0.015 0.000 0.961 701 N CB 1.440 39.923 38.487 -0.005 0.000 1.075 701 N HN 0.005 nan 8.380 nan 0.000 0.478 702 P HA -0.060 nan 4.420 nan 0.000 0.222 702 P C 0.450 177.725 177.300 -0.042 0.000 1.147 702 P CA 1.036 64.112 63.100 -0.039 0.000 0.790 702 P CB 0.401 32.065 31.700 -0.059 0.000 0.780 703 E N -1.529 118.648 120.200 -0.038 0.000 2.435 703 E HA -0.006 4.339 4.350 -0.009 0.000 0.195 703 E C 0.333 176.916 176.600 -0.029 0.000 1.029 703 E CA 0.470 56.850 56.400 -0.032 0.000 0.865 703 E CB -0.249 29.437 29.700 -0.024 0.000 0.833 703 E HN 0.283 nan 8.360 nan 0.000 0.510 704 C N 0.641 119.919 119.300 -0.037 0.000 2.529 704 C HA 0.562 5.017 4.460 -0.009 0.000 0.329 704 C C 0.353 175.304 174.990 -0.064 0.000 1.194 704 C CA -0.841 58.143 59.018 -0.057 0.000 1.779 704 C CB 1.646 29.344 27.740 -0.070 0.000 2.322 704 C HN 0.184 nan 8.230 nan 0.000 0.500 705 E N 0.046 120.195 120.200 -0.085 0.000 2.343 705 E HA 0.667 5.012 4.350 -0.009 0.000 0.270 705 E C -1.536 174.994 176.600 -0.118 0.000 0.895 705 E CA -0.483 55.867 56.400 -0.085 0.000 0.767 705 E CB 2.217 31.877 29.700 -0.066 0.000 1.248 705 E HN 0.433 nan 8.360 nan 0.000 0.440 706 V N 1.395 121.247 119.914 -0.102 0.000 2.459 706 V HA 0.665 4.780 4.120 -0.009 0.000 0.295 706 V C -0.603 175.421 176.094 -0.116 0.000 1.029 706 V CA -0.648 61.593 62.300 -0.098 0.000 0.874 706 V CB 1.488 33.274 31.823 -0.061 0.000 0.985 706 V HN 0.735 nan 8.190 nan 0.000 0.438 707 A N 3.344 126.069 122.820 -0.158 0.000 2.287 707 A HA 0.580 4.894 4.320 -0.009 0.000 0.317 707 A C -0.546 176.806 177.584 -0.386 0.000 1.220 707 A CA -0.502 51.350 52.037 -0.309 0.000 0.835 707 A CB 0.367 19.190 19.000 -0.295 0.000 1.180 707 A HN 0.994 nan 8.150 nan 0.000 0.500 708 H N 2.540 121.207 119.070 -0.671 0.000 2.517 708 H HA 0.518 5.068 4.556 -0.009 0.000 0.317 708 H C -1.646 173.184 175.328 -0.829 0.000 1.080 708 H CA -0.522 55.072 56.048 -0.757 0.000 1.301 708 H CB 0.559 29.619 29.762 -1.171 0.000 1.425 708 H HN 0.519 nan 8.280 nan 0.000 0.471 709 F N 7.754 127.468 119.950 -0.394 0.000 2.363 709 F HA 0.228 4.750 4.527 -0.009 0.000 0.366 709 F C -1.675 173.850 175.800 -0.459 0.000 1.083 709 F CA -2.153 55.642 58.000 -0.341 0.000 1.176 709 F CB 1.290 40.252 39.000 -0.062 0.000 1.432 709 F HN 0.531 nan 8.300 nan 0.000 0.482 710 P HA -0.213 nan 4.420 nan 0.000 0.215 710 P C 1.066 178.319 177.300 -0.078 0.000 1.157 710 P CA 1.647 64.480 63.100 -0.445 0.000 0.863 710 P CB 0.167 31.639 31.700 -0.379 0.000 0.787 711 E N -0.215 119.959 120.200 -0.043 0.000 2.482 711 E HA -0.118 4.227 4.350 -0.009 0.000 0.196 711 E C 1.380 178.001 176.600 0.034 0.000 1.047 711 E CA 0.483 56.892 56.400 0.015 0.000 0.869 711 E CB -0.435 29.275 29.700 0.017 0.000 0.836 711 E HN 0.172 nan 8.360 nan 0.000 0.520 712 Q N 0.184 120.013 119.800 0.048 0.000 2.282 712 Q HA 0.230 4.565 4.340 -0.009 0.000 0.206 712 Q C 0.732 176.780 176.000 0.080 0.000 0.878 712 Q CA 0.552 56.385 55.803 0.051 0.000 0.944 712 Q CB 1.233 29.990 28.738 0.031 0.000 1.100 712 Q HN 0.419 nan 8.270 nan 0.000 0.509 713 G N 1.294 110.155 108.800 0.101 0.000 2.366 713 G HA2 -0.196 3.758 3.960 -0.009 0.000 0.299 713 G HA3 -0.196 3.758 3.960 -0.009 0.000 0.299 713 G C -0.445 174.571 174.900 0.194 0.000 1.020 713 G CA 0.866 46.057 45.100 0.152 0.000 1.026 713 G HN 0.273 nan 8.290 nan 0.000 0.512 714 L N -2.778 118.587 121.223 0.238 0.000 2.479 714 L HA 0.995 5.329 4.340 -0.009 0.000 0.255 714 L C -0.453 176.665 176.870 0.413 0.000 1.026 714 L CA -2.618 52.401 54.840 0.298 0.000 0.842 714 L CB 1.010 43.241 42.059 0.286 0.000 1.444 714 L HN 0.627 nan 8.230 nan 0.000 0.409 715 Y N -0.824 119.640 120.300 0.273 0.000 2.609 715 Y HA 0.910 5.454 4.550 -0.009 0.000 0.342 715 Y C -0.410 175.481 175.900 -0.016 0.000 1.058 715 Y CA -1.302 56.878 58.100 0.132 0.000 1.055 715 Y CB 1.398 39.843 38.460 -0.025 0.000 1.292 715 Y HN 1.120 nan 8.280 nan 0.000 0.476 716 C N 1.635 120.830 119.300 -0.175 0.000 2.889 716 C HA 0.917 5.372 4.460 -0.009 0.000 0.307 716 C C -0.774 174.008 174.990 -0.347 0.000 1.251 716 C CA -0.892 57.716 59.018 -0.684 0.000 1.593 716 C CB 1.110 27.790 27.740 -1.768 0.000 2.104 716 C HN 1.236 nan 8.230 nan 0.000 0.476 717 V N 3.952 123.587 119.914 -0.465 0.000 2.604 717 V HA 0.819 4.933 4.120 -0.009 0.000 0.305 717 V C -0.469 175.419 176.094 -0.342 0.000 1.043 717 V CA -0.573 61.496 62.300 -0.385 0.000 0.888 717 V CB 1.533 33.020 31.823 -0.559 0.000 0.995 717 V HN 1.103 nan 8.190 nan 0.000 0.429 718 I N 3.090 123.519 120.570 -0.235 0.000 2.474 718 I HA 0.625 4.790 4.170 -0.009 0.000 0.294 718 I C -0.428 175.624 176.117 -0.109 0.000 1.005 718 I CA -0.751 60.451 61.300 -0.163 0.000 1.113 718 I CB 1.919 39.823 38.000 -0.160 0.000 1.289 718 I HN 0.575 nan 8.210 nan 0.000 0.436 719 N N 4.106 122.769 118.700 -0.061 0.000 2.408 719 N HA 0.192 4.927 4.740 -0.009 0.000 0.257 719 N C -0.120 175.377 175.510 -0.022 0.000 1.064 719 N CA 0.056 53.090 53.050 -0.027 0.000 0.952 719 N CB 0.551 39.044 38.487 0.009 0.000 1.093 719 N HN 0.751 nan 8.380 nan 0.000 0.490 720 N N 1.051 119.738 118.700 -0.021 0.000 2.434 720 N HA -0.006 4.728 4.740 -0.009 0.000 0.196 720 N C -0.390 175.132 175.510 0.020 0.000 1.183 720 N CA 0.138 53.183 53.050 -0.009 0.000 0.849 720 N CB 0.336 38.827 38.487 0.008 0.000 0.992 720 N HN 0.632 nan 8.380 nan 0.000 0.460 721 T N -3.020 111.548 114.554 0.024 0.000 2.865 721 T HA 0.187 4.531 4.350 -0.009 0.000 0.294 721 T C -0.191 174.539 174.700 0.049 0.000 1.119 721 T CA -0.945 61.177 62.100 0.038 0.000 1.007 721 T CB 1.568 70.450 68.868 0.024 0.000 1.225 721 T HN -0.050 nan 8.240 nan 0.000 0.515 722 D N -0.654 119.779 120.400 0.054 0.000 2.325 722 D HA 0.197 4.831 4.640 -0.009 0.000 0.234 722 D C 0.200 176.527 176.300 0.044 0.000 1.122 722 D CA -0.071 53.963 54.000 0.057 0.000 0.850 722 D CB -0.015 40.824 40.800 0.064 0.000 0.921 722 D HN 0.235 nan 8.370 nan 0.000 0.513 723 Q N 0.671 120.493 119.800 0.037 0.000 2.235 723 Q HA 0.473 4.808 4.340 -0.009 0.000 0.256 723 Q C -2.535 173.484 176.000 0.032 0.000 0.951 723 Q CA -2.615 53.206 55.803 0.030 0.000 0.890 723 Q CB 1.456 30.207 28.738 0.022 0.000 1.279 723 Q HN -0.004 nan 8.270 nan 0.000 0.444 724 P HA 0.045 nan 4.420 nan 0.000 0.268 724 P C -0.939 176.380 177.300 0.032 0.000 1.204 724 P CA 0.069 63.191 63.100 0.036 0.000 0.768 724 P CB 0.628 32.349 31.700 0.034 0.000 0.842 725 Q N 2.304 122.127 119.800 0.038 0.000 2.323 725 Q HA 0.372 4.707 4.340 -0.009 0.000 0.271 725 Q C -0.609 175.423 176.000 0.053 0.000 1.048 725 Q CA -0.675 55.148 55.803 0.034 0.000 0.792 725 Q CB 2.683 31.434 28.738 0.022 0.000 1.280 725 Q HN 0.312 nan 8.270 nan 0.000 0.441 726 K N 0.858 121.288 120.400 0.049 0.000 2.183 726 K HA 0.637 4.952 4.320 -0.009 0.000 0.274 726 K C -0.436 176.207 176.600 0.071 0.000 1.009 726 K CA -0.079 56.249 56.287 0.069 0.000 0.888 726 K CB 1.531 34.061 32.500 0.051 0.000 1.078 726 K HN 0.444 nan 8.250 nan 0.000 0.459 727 T N 0.914 115.539 114.554 0.118 0.000 2.894 727 T HA 0.345 4.689 4.350 -0.009 0.000 0.309 727 T C -1.344 173.466 174.700 0.183 0.000 1.208 727 T CA -0.632 61.534 62.100 0.110 0.000 1.016 727 T CB 1.395 70.300 68.868 0.063 0.000 1.192 727 T HN 0.446 nan 8.240 nan 0.000 0.491 728 T N 2.803 117.429 114.554 0.121 0.000 2.756 728 T HA 0.543 4.887 4.350 -0.009 0.000 0.290 728 T C -0.186 174.575 174.700 0.103 0.000 0.985 728 T CA -0.437 61.739 62.100 0.126 0.000 0.955 728 T CB 0.971 69.868 68.868 0.049 0.000 0.930 728 T HN 0.442 nan 8.240 nan 0.000 0.451 729 V N 3.936 123.963 119.914 0.189 0.000 2.509 729 V HA 0.376 4.490 4.120 -0.009 0.000 0.284 729 V C 0.614 176.678 176.094 -0.049 0.000 1.047 729 V CA -0.466 61.871 62.300 0.062 0.000 0.952 729 V CB 1.566 33.478 31.823 0.148 0.000 0.988 729 V HN 0.905 nan 8.190 nan 0.000 0.469 730 T N 6.354 120.798 114.554 -0.183 0.000 2.758 730 T HA 0.504 4.849 4.350 -0.009 0.000 0.285 730 T C -0.119 174.266 174.700 -0.525 0.000 0.981 730 T CA -0.351 61.583 62.100 -0.276 0.000 0.965 730 T CB 0.628 69.349 68.868 -0.245 0.000 0.927 730 T HN 0.283 nan 8.240 nan 0.000 0.448 731 L N 2.021 122.889 121.223 -0.593 0.000 2.468 731 L HA 0.378 4.712 4.340 -0.009 0.000 0.254 731 L C 1.951 178.139 176.870 -1.137 0.000 1.171 731 L CA -0.473 53.721 54.840 -1.077 0.000 0.809 731 L CB 0.119 41.835 42.059 -0.572 0.000 1.155 731 L HN 0.752 nan 8.230 nan 0.000 0.473 732 A N 1.269 123.144 122.820 -1.576 0.000 1.940 732 A HA -0.209 4.105 4.320 -0.009 0.000 0.219 732 A C 1.505 178.852 177.584 -0.395 0.000 1.176 732 A CA 1.757 53.294 52.037 -0.834 0.000 0.631 732 A CB -0.656 18.088 19.000 -0.426 0.000 0.814 732 A HN 0.914 nan 8.150 nan 0.000 0.446 733 D N -2.340 117.878 120.400 -0.305 0.000 2.371 733 D HA 0.251 4.885 4.640 -0.009 0.000 0.221 733 D C 1.225 177.436 176.300 -0.148 0.000 0.986 733 D CA 1.202 55.112 54.000 -0.151 0.000 0.899 733 D CB -0.470 40.288 40.800 -0.071 0.000 0.902 733 D HN 0.827 nan 8.370 nan 0.000 0.530 734 G N -0.364 108.309 108.800 -0.212 0.000 2.232 734 G HA2 -0.258 3.697 3.960 -0.009 0.000 0.226 734 G HA3 -0.258 3.697 3.960 -0.009 0.000 0.226 734 G C 0.578 175.395 174.900 -0.139 0.000 0.996 734 G CA 0.315 45.317 45.100 -0.163 0.000 0.626 734 G HN 0.778 nan 8.290 nan 0.000 0.509 735 T N -0.028 114.447 114.554 -0.132 0.000 2.766 735 T HA 0.587 4.931 4.350 -0.009 0.000 0.295 735 T C 0.395 175.032 174.700 -0.104 0.000 1.024 735 T CA 0.926 62.972 62.100 -0.090 0.000 1.018 735 T CB 1.683 70.520 68.868 -0.051 0.000 1.002 735 T HN 1.499 nan 8.240 nan 0.000 0.532 736 T N -1.337 113.183 114.554 -0.058 0.000 2.906 736 T HA 0.707 5.051 4.350 -0.009 0.000 0.295 736 T C -1.243 173.457 174.700 -0.001 0.000 1.061 736 T CA -0.923 61.153 62.100 -0.039 0.000 1.000 736 T CB 2.074 70.921 68.868 -0.036 0.000 1.103 736 T HN 0.657 nan 8.240 nan 0.000 0.486 737 E N 0.837 121.065 120.200 0.047 0.000 2.275 737 E HA 0.520 4.865 4.350 -0.009 0.000 0.270 737 E C -1.531 175.044 176.600 -0.043 0.000 0.882 737 E CA -0.531 55.866 56.400 -0.005 0.000 0.758 737 E CB 1.640 31.374 29.700 0.057 0.000 1.195 737 E HN 0.647 nan 8.360 nan 0.000 0.419 738 D N 1.952 122.234 120.400 -0.196 0.000 2.225 738 D HA 0.451 5.085 4.640 -0.009 0.000 0.249 738 D C -0.772 175.307 176.300 -0.368 0.000 1.052 738 D CA 0.061 53.990 54.000 -0.118 0.000 0.909 738 D CB 0.605 41.366 40.800 -0.064 0.000 1.186 738 D HN 0.215 nan 8.370 nan 0.000 0.431 739 F N 0.204 120.177 119.950 0.038 0.000 2.599 739 F HA 0.258 4.780 4.527 -0.009 0.000 0.311 739 F C 0.039 175.856 175.800 0.030 0.000 1.076 739 F CA -0.883 57.141 58.000 0.040 0.000 0.937 739 F CB 2.002 41.031 39.000 0.047 0.000 1.282 739 F HN 0.009 nan 8.300 nan 0.000 0.460 740 D N 3.304 123.831 120.400 0.213 0.000 2.400 740 D HA 0.303 4.938 4.640 -0.009 0.000 0.272 740 D C -1.124 175.256 176.300 0.133 0.000 1.220 740 D CA -0.057 54.023 54.000 0.134 0.000 0.897 740 D CB 0.634 41.482 40.800 0.079 0.000 1.134 740 D HN 0.388 nan 8.370 nan 0.000 0.507 741 L N 3.973 125.273 121.223 0.129 0.000 2.331 741 L HA 0.397 4.732 4.340 -0.009 0.000 0.278 741 L C -1.765 175.150 176.870 0.075 0.000 1.106 741 L CA -1.363 53.538 54.840 0.101 0.000 0.824 741 L CB 1.092 43.191 42.059 0.067 0.000 1.142 741 L HN 0.154 nan 8.230 nan 0.000 0.443 742 P HA 0.027 nan 4.420 nan 0.000 0.282 742 P C -0.769 176.566 177.300 0.059 0.000 1.287 742 P CA -0.611 62.525 63.100 0.060 0.000 0.792 742 P CB 0.461 32.196 31.700 0.058 0.000 1.163 743 D N 0.115 120.545 120.400 0.049 0.000 2.923 743 D HA -0.135 4.499 4.640 -0.009 0.000 0.220 743 D C -0.014 176.333 176.300 0.078 0.000 1.099 743 D CA 1.261 55.293 54.000 0.053 0.000 0.807 743 D CB -0.597 40.226 40.800 0.039 0.000 1.155 743 D HN 0.357 nan 8.370 nan 0.000 0.524 744 S N 1.126 116.880 115.700 0.090 0.000 3.473 744 S HA -0.153 4.312 4.470 -0.009 0.000 0.339 744 S C 0.891 175.587 174.600 0.160 0.000 1.148 744 S CA 0.599 58.877 58.200 0.131 0.000 0.969 744 S CB -1.833 61.495 63.200 0.213 0.000 0.936 744 S HN 0.853 nan 8.310 nan 0.000 0.530 745 G N 0.088 108.955 108.800 0.111 0.000 2.651 745 G HA2 0.584 4.539 3.960 -0.009 0.000 0.260 745 G HA3 0.584 4.539 3.960 -0.009 0.000 0.260 745 G C -0.339 174.614 174.900 0.088 0.000 1.216 745 G CA -0.196 44.978 45.100 0.123 0.000 0.913 745 G HN 0.739 nan 8.290 nan 0.000 0.535 746 I N -0.527 120.100 120.570 0.096 0.000 2.685 746 I HA 0.575 4.740 4.170 -0.009 0.000 0.289 746 I C -0.625 175.503 176.117 0.019 0.000 1.292 746 I CA -0.723 60.579 61.300 0.003 0.000 1.050 746 I CB 1.620 39.668 38.000 0.080 0.000 1.301 746 I HN 0.747 nan 8.210 nan 0.000 0.425 747 A N 6.211 128.938 122.820 -0.154 0.000 2.365 747 A HA 0.814 5.129 4.320 -0.009 0.000 0.318 747 A C -2.133 175.294 177.584 -0.261 0.000 1.091 747 A CA -0.353 51.675 52.037 -0.015 0.000 0.763 747 A CB 0.894 19.995 19.000 0.169 0.000 1.248 747 A HN 0.691 nan 8.150 nan 0.000 0.442 748 W N 1.504 122.799 121.300 -0.009 0.000 2.666 748 W HA 0.751 5.406 4.660 -0.008 0.000 0.334 748 W C 0.375 176.808 176.519 -0.144 0.000 1.051 748 W CA -0.294 56.990 57.345 -0.101 0.000 1.224 748 W CB 1.614 31.037 29.460 -0.061 0.000 1.405 748 W HN 0.572 nan 8.180 nan 0.000 0.513 749 R N 0.851 121.249 120.500 -0.171 0.000 2.869 749 R HA 0.355 4.689 4.340 -0.009 0.000 0.263 749 R C -1.129 175.138 176.300 -0.055 0.000 1.066 749 R CA -1.445 54.545 56.100 -0.184 0.000 0.960 749 R CB 1.734 31.794 30.300 -0.399 0.000 1.221 749 R HN 0.550 nan 8.270 nan 0.000 0.474 750 E N 0.327 120.574 120.200 0.079 0.000 2.313 750 E HA 0.471 4.815 4.350 -0.009 0.000 0.276 750 E C -0.699 176.081 176.600 0.300 0.000 1.031 750 E CA -0.246 56.252 56.400 0.164 0.000 0.857 750 E CB 1.266 31.049 29.700 0.139 0.000 1.040 750 E HN 0.591 nan 8.360 nan 0.000 0.408 751 A N 0.000 123.018 122.820 0.330 0.000 2.254 751 A HA 0.000 4.315 4.320 -0.009 0.000 0.244 751 A CA 0.000 52.300 52.037 0.438 0.000 0.836 751 A CB 0.000 19.267 19.000 0.444 0.000 0.831 751 A HN 0.000 nan 8.150 nan 0.000 0.486